NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565651 |
3zob   |
19049 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3zob
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 739
_Distance_constraint_stats_list.Viol_count 1825
_Distance_constraint_stats_list.Viol_total 1832.170
_Distance_constraint_stats_list.Viol_max 1.570
_Distance_constraint_stats_list.Viol_rms 0.0501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0502
_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 2 PRO 0.049 0.021 4 0 "[ . 1 . 2]"
1 3 MET 0.225 0.042 9 0 "[ . 1 . 2]"
1 4 ALA 0.408 0.049 18 0 "[ . 1 . 2]"
1 5 SER 0.406 0.124 12 0 "[ . 1 . 2]"
1 6 ASP 0.309 0.124 12 0 "[ . 1 . 2]"
1 7 LYS 0.337 0.074 20 0 "[ . 1 . 2]"
1 8 ARG 0.157 0.074 20 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.248 0.030 5 0 "[ . 1 . 2]"
1 11 THR 0.890 0.071 5 0 "[ . 1 . 2]"
1 12 ALA 0.719 0.095 5 0 "[ . 1 . 2]"
1 13 PHE 2.311 0.095 5 0 "[ . 1 . 2]"
1 14 THR 0.618 0.055 5 0 "[ . 1 . 2]"
1 15 ALA 0.384 0.027 20 0 "[ . 1 . 2]"
1 16 GLU 1.156 0.046 1 0 "[ . 1 . 2]"
1 17 GLN 1.296 0.042 6 0 "[ . 1 . 2]"
1 18 LEU 1.560 0.038 10 0 "[ . 1 . 2]"
1 19 GLN 1.447 0.081 3 0 "[ . 1 . 2]"
1 20 ARG 1.802 0.081 3 0 "[ . 1 . 2]"
1 21 LEU 2.493 0.091 14 0 "[ . 1 . 2]"
1 22 LYS 2.106 0.106 11 0 "[ . 1 . 2]"
1 23 ALA 0.675 0.059 8 0 "[ . 1 . 2]"
1 24 GLU 4.428 1.434 19 4 "[ . -1 **. +2]"
1 25 PHE 2.459 0.827 16 1 "[ . 1 .+ 2]"
1 26 GLN 1.220 0.158 18 0 "[ . 1 . 2]"
1 27 THR 1.332 0.070 2 0 "[ . 1 . 2]"
1 28 ASN 3.194 1.437 13 1 "[ . 1 + . 2]"
1 29 ARG 3.274 0.827 16 1 "[ . 1 .+ 2]"
1 30 TYR 0.250 0.061 18 0 "[ . 1 . 2]"
1 31 LEU 3.858 0.288 20 0 "[ . 1 . 2]"
1 32 THR 4.534 0.286 1 0 "[ . 1 . 2]"
1 33 GLU 0.528 0.098 5 0 "[ . 1 . 2]"
1 34 GLN 2.001 0.098 5 0 "[ . 1 . 2]"
1 35 ARG 32.052 1.570 1 20 [+******************-]
1 36 ARG 9.081 0.775 18 3 "[ * - 1 . + 2]"
1 37 GLN 6.057 0.775 18 3 "[ * - 1 . + 2]"
1 38 SER 3.347 0.127 2 0 "[ . 1 . 2]"
1 39 LEU 1.873 0.288 20 0 "[ . 1 . 2]"
1 40 ALA 1.256 0.065 2 0 "[ . 1 . 2]"
1 41 GLN 0.996 0.112 14 0 "[ . 1 . 2]"
1 42 GLU 5.200 0.355 12 0 "[ . 1 . 2]"
1 43 LEU 1.797 0.080 13 0 "[ . 1 . 2]"
1 44 GLY 3.650 0.355 12 0 "[ . 1 . 2]"
1 45 LEU 2.941 0.125 12 0 "[ . 1 . 2]"
1 46 ASN 0.550 0.232 1 0 "[ . 1 . 2]"
1 47 GLU 1.448 0.083 10 0 "[ . 1 . 2]"
1 48 SER 1.864 0.083 10 0 "[ . 1 . 2]"
1 49 GLN 1.350 0.232 1 0 "[ . 1 . 2]"
1 50 ILE 2.438 0.308 20 0 "[ . 1 . 2]"
1 51 LYS 2.612 0.505 20 1 "[ . 1 . +]"
1 52 ILE 4.493 0.505 20 1 "[ . 1 . +]"
1 53 TRP 3.356 0.165 14 0 "[ . 1 . 2]"
1 54 PHE 1.833 0.165 14 0 "[ . 1 . 2]"
1 55 GLN 1.090 0.051 11 0 "[ . 1 . 2]"
1 56 ASN 2.039 0.068 5 0 "[ . 1 . 2]"
1 57 LYS 2.084 0.106 15 0 "[ . 1 . 2]"
1 58 ARG 4.081 0.249 11 0 "[ . 1 . 2]"
1 59 ALA 0.498 0.047 19 0 "[ . 1 . 2]"
1 60 LYS 0.593 0.147 11 0 "[ . 1 . 2]"
1 61 ILE 1.831 0.117 4 0 "[ . 1 . 2]"
1 62 LYS 0.690 0.065 20 0 "[ . 1 . 2]"
1 63 LYS 0.556 0.073 12 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 THR 0.144 0.042 15 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 2 PRO QG 1 3 MET QG 3.000 . 3.000 2.689 2.282 3.021 0.021 4 0 "[ . 1 . 2]" 1
2 1 3 MET H 1 3 MET QG 5.000 . 5.000 2.333 1.799 2.737 0.001 4 0 "[ . 1 . 2]" 1
3 1 3 MET HA 1 4 ALA H 3.000 . 3.000 2.716 2.158 3.042 0.042 9 0 "[ . 1 . 2]" 1
4 1 4 ALA HA 1 5 SER H 3.500 . 3.500 3.039 2.187 3.549 0.049 18 0 "[ . 1 . 2]" 1
5 1 5 SER HA 1 6 ASP H 3.000 . 3.000 2.485 2.172 3.124 0.124 12 0 "[ . 1 . 2]" 1
6 1 6 ASP H 1 6 ASP QB 3.500 . 3.500 2.608 2.303 3.308 . 0 0 "[ . 1 . 2]" 1
7 1 6 ASP HA 1 7 LYS H 3.000 . 3.000 2.412 2.128 2.956 . 0 0 "[ . 1 . 2]" 1
8 1 6 ASP QB 1 7 LYS H 3.500 . 3.500 2.925 1.873 3.535 0.035 6 0 "[ . 1 . 2]" 1
9 1 7 LYS H 1 7 LYS HD2 5.000 . 5.000 4.224 2.621 5.004 0.004 7 0 "[ . 1 . 2]" 1
10 1 7 LYS H 1 7 LYS HD3 5.000 . 5.000 4.106 3.013 5.016 0.016 4 0 "[ . 1 . 2]" 1
11 1 7 LYS HA 1 8 ARG H 3.000 . 3.000 2.507 2.178 3.074 0.074 20 0 "[ . 1 . 2]" 1
12 1 8 ARG H 1 8 ARG HB2 4.000 . 4.000 2.963 2.405 3.962 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG H 1 8 ARG HB3 4.000 . 4.000 3.349 2.497 3.811 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG H 1 8 ARG QD 5.500 . 5.500 4.050 1.795 5.185 0.005 4 0 "[ . 1 . 2]" 1
15 1 8 ARG H 1 8 ARG QG 5.000 . 5.000 3.044 1.940 4.241 . 0 0 "[ . 1 . 2]" 1
16 1 8 ARG HA 1 9 PRO QD 3.000 . 3.000 2.128 2.016 2.238 . 0 0 "[ . 1 . 2]" 1
17 1 9 PRO HA 1 10 ARG H 3.500 . 3.500 2.351 2.195 2.833 . 0 0 "[ . 1 . 2]" 1
18 1 9 PRO HB3 1 9 PRO QD 3.000 . 3.000 2.846 2.776 2.925 . 0 0 "[ . 1 . 2]" 1
19 1 10 ARG H 1 10 ARG HA 3.000 . 3.000 2.796 2.076 2.947 . 0 0 "[ . 1 . 2]" 1
20 1 10 ARG H 1 10 ARG HB2 4.000 . 4.000 2.704 2.379 3.779 . 0 0 "[ . 1 . 2]" 1
21 1 10 ARG H 1 10 ARG HB3 4.000 . 4.000 3.691 2.776 4.028 0.028 4 0 "[ . 1 . 2]" 1
22 1 10 ARG H 1 10 ARG QG 5.000 . 5.000 2.825 2.196 4.098 . 0 0 "[ . 1 . 2]" 1
23 1 10 ARG H 1 11 THR H 4.500 . 4.500 3.838 2.351 4.530 0.030 9 0 "[ . 1 . 2]" 1
24 1 10 ARG HA 1 11 THR H 4.000 . 4.000 2.932 2.224 3.593 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG HB2 1 10 ARG HE 5.000 . 5.000 4.184 2.193 5.013 0.013 2 0 "[ . 1 . 2]" 1
26 1 10 ARG HB2 1 11 THR H 4.000 . 4.000 2.772 1.787 3.898 0.013 1 0 "[ . 1 . 2]" 1
27 1 10 ARG HB2 1 12 ALA H 4.000 . 4.000 3.270 2.220 4.030 0.030 5 0 "[ . 1 . 2]" 1
28 1 10 ARG HB3 1 11 THR H 4.000 . 4.000 2.426 1.800 3.173 0.000 11 0 "[ . 1 . 2]" 1
29 1 11 THR HA 1 12 ALA H 3.500 . 3.500 3.252 2.322 3.549 0.049 19 0 "[ . 1 . 2]" 1
30 1 11 THR HB 1 12 ALA H 4.500 . 4.500 3.814 2.247 4.521 0.021 4 0 "[ . 1 . 2]" 1
31 1 11 THR MG 1 12 ALA H 5.000 . 5.000 3.127 2.164 4.176 . 0 0 "[ . 1 . 2]" 1
32 1 11 THR MG 1 13 PHE H 5.000 . 5.000 4.866 3.856 5.071 0.071 5 0 "[ . 1 . 2]" 1
33 1 12 ALA H 1 12 ALA MB 3.000 . 3.000 2.289 2.209 2.415 . 0 0 "[ . 1 . 2]" 1
34 1 12 ALA HA 1 13 PHE H 3.000 . 3.000 2.559 2.141 3.095 0.095 5 0 "[ . 1 . 2]" 1
35 1 12 ALA MB 1 13 PHE H 4.000 . 4.000 2.705 1.754 3.776 0.046 5 0 "[ . 1 . 2]" 1
36 1 13 PHE H 1 13 PHE HA 3.000 . 3.000 2.907 2.743 2.961 . 0 0 "[ . 1 . 2]" 1
37 1 13 PHE H 1 13 PHE HB2 4.000 . 4.000 2.547 2.365 2.807 . 0 0 "[ . 1 . 2]" 1
38 1 13 PHE H 1 13 PHE HB3 4.000 . 4.000 3.687 3.580 3.886 . 0 0 "[ . 1 . 2]" 1
39 1 13 PHE H 1 14 THR H 4.500 . 4.500 4.478 4.329 4.555 0.055 5 0 "[ . 1 . 2]" 1
40 1 13 PHE H 1 18 LEU MD1 5.000 . 5.000 4.498 3.794 5.016 0.016 16 0 "[ . 1 . 2]" 1
41 1 13 PHE H 1 18 LEU MD2 5.000 . 5.000 4.246 3.675 4.780 . 0 0 "[ . 1 . 2]" 1
42 1 13 PHE HA 1 14 THR H 3.500 . 3.500 2.489 2.281 2.733 . 0 0 "[ . 1 . 2]" 1
43 1 13 PHE HA 1 45 LEU MD2 5.500 . 5.500 3.543 3.011 3.892 . 0 0 "[ . 1 . 2]" 1
44 1 13 PHE HA 1 45 LEU HG 6.000 . 6.000 5.799 5.037 6.034 0.034 7 0 "[ . 1 . 2]" 1
45 1 13 PHE HB2 1 14 THR H 3.500 . 3.500 3.487 3.325 3.525 0.025 18 0 "[ . 1 . 2]" 1
46 1 13 PHE HB2 1 17 GLN H 6.000 . 6.000 5.510 5.396 5.539 . 0 0 "[ . 1 . 2]" 1
47 1 13 PHE HB2 1 18 LEU H 5.500 . 5.500 4.192 3.931 4.503 . 0 0 "[ . 1 . 2]" 1
48 1 13 PHE HB2 1 18 LEU MD1 4.000 . 4.000 2.993 2.745 3.295 . 0 0 "[ . 1 . 2]" 1
49 1 13 PHE HB2 1 18 LEU MD2 3.500 . 3.500 2.482 2.217 2.821 . 0 0 "[ . 1 . 2]" 1
50 1 13 PHE HB3 1 14 THR H 3.500 . 3.500 2.306 2.142 2.472 . 0 0 "[ . 1 . 2]" 1
51 1 13 PHE HB3 1 17 GLN H 5.500 . 5.500 4.095 4.020 4.240 . 0 0 "[ . 1 . 2]" 1
52 1 13 PHE HB3 1 18 LEU H 4.500 . 4.500 3.161 2.926 3.528 . 0 0 "[ . 1 . 2]" 1
53 1 13 PHE HB3 1 18 LEU MD1 4.000 . 4.000 3.805 3.462 4.017 0.017 11 0 "[ . 1 . 2]" 1
54 1 13 PHE HB3 1 18 LEU MD2 3.500 . 3.500 3.228 2.930 3.521 0.021 7 0 "[ . 1 . 2]" 1
55 1 13 PHE HB3 1 18 LEU HG 5.000 . 5.000 2.478 2.193 2.811 . 0 0 "[ . 1 . 2]" 1
56 1 13 PHE QD 1 21 LEU MD1 5.500 . 5.500 2.690 2.309 3.075 . 0 0 "[ . 1 . 2]" 1
57 1 13 PHE QD 1 45 LEU HB2 7.000 . 7.000 6.252 5.867 6.648 . 0 0 "[ . 1 . 2]" 1
58 1 13 PHE QD 1 45 LEU HB3 7.000 . 7.000 5.781 5.128 6.247 . 0 0 "[ . 1 . 2]" 1
59 1 13 PHE QD 1 45 LEU MD1 6.000 . 6.000 3.043 2.445 3.631 . 0 0 "[ . 1 . 2]" 1
60 1 13 PHE QD 1 45 LEU MD2 6.000 . 6.000 3.017 2.477 3.988 . 0 0 "[ . 1 . 2]" 1
61 1 13 PHE QD 1 45 LEU HG 6.500 . 6.500 4.915 4.470 5.213 . 0 0 "[ . 1 . 2]" 1
62 1 13 PHE QE 1 18 LEU H 6.000 . 6.000 6.001 5.809 6.030 0.030 6 0 "[ . 1 . 2]" 1
63 1 13 PHE QE 1 21 LEU MD1 5.500 . 5.500 2.124 2.008 2.223 . 0 0 "[ . 1 . 2]" 1
64 1 13 PHE QE 1 45 LEU HB2 7.000 . 7.000 5.095 4.594 5.808 . 0 0 "[ . 1 . 2]" 1
65 1 13 PHE QE 1 45 LEU HB3 7.000 . 7.000 4.460 3.560 4.981 . 0 0 "[ . 1 . 2]" 1
66 1 13 PHE QE 1 45 LEU MD1 6.000 . 6.000 2.387 1.940 3.031 . 0 0 "[ . 1 . 2]" 1
67 1 13 PHE QE 1 45 LEU MD2 6.000 . 6.000 2.827 2.197 4.114 . 0 0 "[ . 1 . 2]" 1
68 1 13 PHE QE 1 49 GLN HB2 7.000 . 7.000 3.985 2.639 4.534 . 0 0 "[ . 1 . 2]" 1
69 1 13 PHE QE 1 49 GLN HB3 7.000 . 7.000 3.027 2.117 3.977 . 0 0 "[ . 1 . 2]" 1
70 1 13 PHE QE 1 53 TRP HB2 6.000 . 6.000 3.097 2.581 3.681 . 0 0 "[ . 1 . 2]" 1
71 1 13 PHE QE 1 53 TRP HB3 6.000 . 6.000 3.949 3.125 4.540 . 0 0 "[ . 1 . 2]" 1
72 1 13 PHE QE 1 53 TRP HE1 6.000 . 6.000 4.515 3.816 5.211 . 0 0 "[ . 1 . 2]" 1
73 1 13 PHE HZ 1 21 LEU MD1 6.500 . 6.500 3.619 3.312 4.009 . 0 0 "[ . 1 . 2]" 1
74 1 13 PHE HZ 1 45 LEU HB2 6.000 . 6.000 5.859 5.419 6.037 0.037 3 0 "[ . 1 . 2]" 1
75 1 13 PHE HZ 1 45 LEU HB3 6.000 . 6.000 4.912 4.505 5.551 . 0 0 "[ . 1 . 2]" 1
76 1 13 PHE HZ 1 45 LEU MD1 6.000 . 6.000 3.212 2.629 3.729 . 0 0 "[ . 1 . 2]" 1
77 1 13 PHE HZ 1 45 LEU MD2 5.500 . 5.500 3.692 2.822 4.815 . 0 0 "[ . 1 . 2]" 1
78 1 13 PHE HZ 1 45 LEU HG 7.000 . 7.000 6.024 5.574 6.650 . 0 0 "[ . 1 . 2]" 1
79 1 13 PHE HZ 1 53 TRP HB3 7.000 . 7.000 3.703 3.281 4.208 . 0 0 "[ . 1 . 2]" 1
80 1 14 THR H 1 14 THR HB 4.000 . 4.000 3.782 3.732 3.839 . 0 0 "[ . 1 . 2]" 1
81 1 14 THR H 1 14 THR MG 4.000 . 4.000 2.820 2.328 3.056 . 0 0 "[ . 1 . 2]" 1
82 1 14 THR H 1 17 GLN H 4.500 . 4.500 3.217 2.933 3.495 . 0 0 "[ . 1 . 2]" 1
83 1 14 THR H 1 17 GLN HA 5.000 . 5.000 4.915 4.668 5.032 0.032 19 0 "[ . 1 . 2]" 1
84 1 14 THR H 1 17 GLN HB2 4.000 . 4.000 2.109 1.859 2.388 . 0 0 "[ . 1 . 2]" 1
85 1 14 THR H 1 17 GLN HB3 4.500 . 4.500 3.696 3.518 3.956 . 0 0 "[ . 1 . 2]" 1
86 1 14 THR H 1 17 GLN HG2 6.000 . 6.000 4.303 4.059 4.474 . 0 0 "[ . 1 . 2]" 1
87 1 14 THR H 1 18 LEU H 4.500 . 4.500 3.761 3.498 3.972 . 0 0 "[ . 1 . 2]" 1
88 1 14 THR HA 1 15 ALA H 3.000 . 3.000 2.685 2.594 2.788 . 0 0 "[ . 1 . 2]" 1
89 1 14 THR HA 1 16 GLU H 4.500 . 4.500 4.455 4.309 4.538 0.038 1 0 "[ . 1 . 2]" 1
90 1 14 THR HA 1 17 GLN H 5.000 . 5.000 4.679 4.582 4.746 . 0 0 "[ . 1 . 2]" 1
91 1 14 THR HB 1 15 ALA H 3.500 . 3.500 2.089 2.000 2.229 . 0 0 "[ . 1 . 2]" 1
92 1 14 THR HB 1 16 GLU H 4.000 . 4.000 3.053 2.830 3.436 . 0 0 "[ . 1 . 2]" 1
93 1 14 THR MG 1 15 ALA H 4.000 . 4.000 3.677 3.555 3.849 . 0 0 "[ . 1 . 2]" 1
94 1 14 THR MG 1 16 GLU H 5.000 . 5.000 4.412 4.249 4.660 . 0 0 "[ . 1 . 2]" 1
95 1 14 THR MG 1 17 GLN H 5.000 . 5.000 4.575 4.093 4.804 . 0 0 "[ . 1 . 2]" 1
96 1 14 THR MG 1 17 GLN HE22 5.500 . 5.500 4.608 3.324 5.504 0.004 20 0 "[ . 1 . 2]" 1
97 1 14 THR O 1 18 LEU H 2.500 . 2.500 2.253 2.117 2.510 0.010 3 0 "[ . 1 . 2]" 1
98 1 15 ALA H 1 15 ALA MB 2.500 . 2.500 2.228 2.211 2.248 . 0 0 "[ . 1 . 2]" 1
99 1 15 ALA H 1 16 GLU H 3.500 . 3.500 2.553 2.471 2.656 . 0 0 "[ . 1 . 2]" 1
100 1 15 ALA H 1 17 GLN H 4.500 . 4.500 4.047 3.983 4.136 . 0 0 "[ . 1 . 2]" 1
101 1 15 ALA H 1 18 LEU H 5.000 . 5.000 4.997 4.931 5.020 0.020 8 0 "[ . 1 . 2]" 1
102 1 15 ALA HA 1 16 GLU H 5.000 . 5.000 3.552 3.514 3.593 . 0 0 "[ . 1 . 2]" 1
103 1 15 ALA HA 1 17 GLN H 5.000 . 5.000 4.129 3.962 4.342 . 0 0 "[ . 1 . 2]" 1
104 1 15 ALA HA 1 18 LEU H 5.000 . 5.000 3.697 3.537 3.849 . 0 0 "[ . 1 . 2]" 1
105 1 15 ALA HA 1 18 LEU MD1 4.000 . 4.000 2.433 2.281 2.621 . 0 0 "[ . 1 . 2]" 1
106 1 15 ALA HA 1 18 LEU MD2 5.000 . 5.000 5.008 5.001 5.018 0.018 11 0 "[ . 1 . 2]" 1
107 1 15 ALA HA 1 19 GLN H 5.000 . 5.000 4.229 3.966 4.506 . 0 0 "[ . 1 . 2]" 1
108 1 15 ALA MB 1 16 GLU H 4.000 . 4.000 2.796 2.713 2.937 . 0 0 "[ . 1 . 2]" 1
109 1 15 ALA MB 1 17 GLN H 4.500 . 4.500 4.503 4.469 4.527 0.027 20 0 "[ . 1 . 2]" 1
110 1 15 ALA O 1 19 GLN H 2.500 . 2.500 2.390 2.281 2.503 0.003 19 0 "[ . 1 . 2]" 1
111 1 16 GLU H 1 16 GLU HB2 3.500 . 3.500 2.390 2.293 2.426 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLU H 1 16 GLU HB3 3.500 . 3.500 3.530 3.519 3.546 0.046 1 0 "[ . 1 . 2]" 1
113 1 16 GLU H 1 16 GLU HG3 5.000 . 5.000 2.943 2.121 3.878 . 0 0 "[ . 1 . 2]" 1
114 1 16 GLU H 1 17 GLN H 3.500 . 3.500 2.470 2.337 2.550 . 0 0 "[ . 1 . 2]" 1
115 1 16 GLU H 1 18 LEU H 5.500 . 5.500 4.267 4.162 4.360 . 0 0 "[ . 1 . 2]" 1
116 1 16 GLU HA 1 17 GLN H 3.500 . 3.500 3.519 3.505 3.531 0.031 20 0 "[ . 1 . 2]" 1
117 1 16 GLU HA 1 19 GLN H 4.500 . 4.500 3.744 3.269 4.190 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU HA 1 20 ARG H 5.000 . 5.000 4.598 4.076 4.965 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU HB2 1 17 GLN H 4.000 . 4.000 2.966 2.722 3.153 . 0 0 "[ . 1 . 2]" 1
120 1 16 GLU HB2 1 18 LEU H 5.500 . 5.500 5.337 5.096 5.472 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU HB3 1 17 GLN H 4.000 . 4.000 3.978 3.837 4.019 0.019 6 0 "[ . 1 . 2]" 1
122 1 16 GLU HB3 1 19 GLN H 6.000 . 6.000 5.725 5.282 6.013 0.013 20 0 "[ . 1 . 2]" 1
123 1 17 GLN H 1 17 GLN HG2 5.000 . 5.000 3.677 3.381 3.810 . 0 0 "[ . 1 . 2]" 1
124 1 17 GLN H 1 18 LEU H 3.000 . 3.000 2.451 2.365 2.571 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLN H 1 19 GLN H 5.000 . 5.000 3.950 3.593 4.218 . 0 0 "[ . 1 . 2]" 1
126 1 17 GLN H 1 43 LEU MD2 4.500 . 4.500 4.424 4.190 4.511 0.011 3 0 "[ . 1 . 2]" 1
127 1 17 GLN HA 1 18 LEU H 4.500 . 4.500 3.615 3.601 3.632 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLN HA 1 19 GLN H 5.000 . 5.000 4.481 3.965 4.783 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLN HA 1 20 ARG H 5.000 . 5.000 3.919 3.775 4.118 . 0 0 "[ . 1 . 2]" 1
130 1 17 GLN HA 1 21 LEU H 6.000 . 6.000 4.734 4.592 4.889 . 0 0 "[ . 1 . 2]" 1
131 1 17 GLN HA 1 43 LEU MD1 4.500 . 4.500 2.847 2.436 3.545 . 0 0 "[ . 1 . 2]" 1
132 1 17 GLN HA 1 43 LEU MD2 4.500 . 4.500 2.109 2.007 2.274 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLN HB3 1 18 LEU H 4.500 . 4.500 3.570 3.382 3.742 . 0 0 "[ . 1 . 2]" 1
134 1 17 GLN HE21 1 43 LEU HB2 5.500 . 5.500 3.666 2.963 4.347 . 0 0 "[ . 1 . 2]" 1
135 1 17 GLN HE21 1 43 LEU MD1 4.500 . 4.500 3.915 2.324 4.538 0.038 16 0 "[ . 1 . 2]" 1
136 1 17 GLN HE21 1 43 LEU MD2 4.500 . 4.500 3.906 3.366 4.516 0.016 19 0 "[ . 1 . 2]" 1
137 1 17 GLN HE21 1 45 LEU MD2 6.000 . 6.000 3.512 2.435 4.687 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLN HE22 1 43 LEU HB2 5.500 . 5.500 4.471 4.196 4.798 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLN HE22 1 45 LEU MD1 5.500 . 5.500 3.815 2.649 4.544 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLN HG2 1 43 LEU MD1 5.000 . 5.000 3.151 2.637 3.823 . 0 0 "[ . 1 . 2]" 1
141 1 17 GLN HG2 1 43 LEU MD2 5.000 . 5.000 2.367 2.059 3.446 . 0 0 "[ . 1 . 2]" 1
142 1 17 GLN HG2 1 45 LEU MD1 6.000 . 6.000 4.047 3.555 4.485 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLN O 1 21 LEU H 2.500 . 2.500 2.521 2.507 2.542 0.042 6 0 "[ . 1 . 2]" 1
144 1 18 LEU H 1 18 LEU HB2 3.500 . 3.500 2.374 2.325 2.409 . 0 0 "[ . 1 . 2]" 1
145 1 18 LEU H 1 18 LEU HB3 3.500 . 3.500 3.529 3.519 3.538 0.038 10 0 "[ . 1 . 2]" 1
146 1 18 LEU H 1 18 LEU MD1 4.500 . 4.500 3.415 3.345 3.495 . 0 0 "[ . 1 . 2]" 1
147 1 18 LEU H 1 18 LEU MD2 4.500 . 4.500 3.503 3.399 3.605 . 0 0 "[ . 1 . 2]" 1
148 1 18 LEU H 1 18 LEU HG 4.500 . 4.500 2.221 2.088 2.320 . 0 0 "[ . 1 . 2]" 1
149 1 18 LEU H 1 19 GLN H 3.500 . 3.500 2.870 2.698 3.039 . 0 0 "[ . 1 . 2]" 1
150 1 18 LEU H 1 20 ARG H 5.000 . 5.000 4.582 4.253 4.966 . 0 0 "[ . 1 . 2]" 1
151 1 18 LEU H 1 21 LEU MD1 4.500 . 4.500 4.278 3.728 4.511 0.011 14 0 "[ . 1 . 2]" 1
152 1 18 LEU HA 1 19 GLN H 4.500 . 4.500 3.596 3.496 3.636 . 0 0 "[ . 1 . 2]" 1
153 1 18 LEU HA 1 20 ARG H 5.000 . 5.000 4.581 4.232 4.878 . 0 0 "[ . 1 . 2]" 1
154 1 18 LEU HB2 1 19 GLN H 5.000 . 5.000 2.603 2.346 3.199 . 0 0 "[ . 1 . 2]" 1
155 1 18 LEU HB3 1 19 GLN H 4.500 . 4.500 3.538 3.318 4.090 . 0 0 "[ . 1 . 2]" 1
156 1 18 LEU MD1 1 53 TRP HD1 7.000 . 7.000 5.415 4.795 5.760 . 0 0 "[ . 1 . 2]" 1
157 1 18 LEU MD1 1 53 TRP HE1 5.500 . 5.500 4.214 3.932 4.403 . 0 0 "[ . 1 . 2]" 1
158 1 18 LEU MD1 1 53 TRP HZ2 5.500 . 5.500 5.352 4.899 5.524 0.024 3 0 "[ . 1 . 2]" 1
159 1 18 LEU MD2 1 53 TRP HD1 7.000 . 7.000 3.127 2.660 3.506 . 0 0 "[ . 1 . 2]" 1
160 1 18 LEU MD2 1 53 TRP HE1 5.500 . 5.500 1.891 1.787 2.059 0.013 3 0 "[ . 1 . 2]" 1
161 1 18 LEU MD2 1 53 TRP HZ2 5.500 . 5.500 3.344 2.866 3.789 . 0 0 "[ . 1 . 2]" 1
162 1 18 LEU HG 1 19 GLN H 5.000 . 5.000 4.505 4.301 4.650 . 0 0 "[ . 1 . 2]" 1
163 1 18 LEU O 1 22 LYS H 2.500 . 2.500 2.368 2.133 2.523 0.023 8 0 "[ . 1 . 2]" 1
164 1 19 GLN H 1 19 GLN QG 4.500 . 4.500 3.248 2.066 4.008 . 0 0 "[ . 1 . 2]" 1
165 1 19 GLN HA 1 20 ARG H 3.500 . 3.500 3.517 3.448 3.552 0.052 7 0 "[ . 1 . 2]" 1
166 1 19 GLN HA 1 21 LEU H 5.000 . 5.000 4.490 4.132 4.723 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLN QB 1 20 ARG H 3.500 . 3.500 2.819 2.026 3.581 0.081 3 0 "[ . 1 . 2]" 1
168 1 19 GLN QB 1 21 LEU H 6.000 . 6.000 4.903 4.471 5.271 . 0 0 "[ . 1 . 2]" 1
169 1 19 GLN HE22 1 20 ARG H 4.500 . 4.500 4.220 3.864 4.533 0.033 8 0 "[ . 1 . 2]" 1
170 1 19 GLN QG 1 20 ARG H 4.000 . 4.000 3.295 2.533 4.036 0.036 4 0 "[ . 1 . 2]" 1
171 1 20 ARG H 1 20 ARG HB2 4.000 . 4.000 2.369 2.168 2.558 . 0 0 "[ . 1 . 2]" 1
172 1 20 ARG H 1 20 ARG HB3 4.000 . 4.000 2.597 2.341 2.793 . 0 0 "[ . 1 . 2]" 1
173 1 20 ARG H 1 20 ARG HD2 6.000 . 6.000 5.209 4.738 6.026 0.026 10 0 "[ . 1 . 2]" 1
174 1 20 ARG H 1 20 ARG HD3 6.000 . 6.000 5.412 4.626 6.027 0.027 11 0 "[ . 1 . 2]" 1
175 1 20 ARG H 1 20 ARG QG 5.000 . 5.000 3.951 3.820 4.064 . 0 0 "[ . 1 . 2]" 1
176 1 20 ARG H 1 21 LEU H 3.000 . 3.000 2.721 2.565 2.941 . 0 0 "[ . 1 . 2]" 1
177 1 20 ARG HA 1 21 LEU H 5.000 . 5.000 3.599 3.565 3.625 . 0 0 "[ . 1 . 2]" 1
178 1 20 ARG HA 1 22 LYS H 5.000 . 5.000 4.227 3.857 4.605 . 0 0 "[ . 1 . 2]" 1
179 1 20 ARG HB3 1 20 ARG HE 4.500 . 4.500 3.675 2.017 4.517 0.017 14 0 "[ . 1 . 2]" 1
180 1 20 ARG HB3 1 22 LYS H 5.000 . 5.000 4.982 4.865 5.036 0.036 20 0 "[ . 1 . 2]" 1
181 1 20 ARG HE 1 43 LEU MD2 4.500 . 4.500 3.224 1.788 4.518 0.018 1 0 "[ . 1 . 2]" 1
182 1 20 ARG O 1 24 GLU H 2.500 . 2.500 2.430 2.180 2.524 0.024 15 0 "[ . 1 . 2]" 1
183 1 21 LEU H 1 21 LEU HB2 4.000 . 4.000 2.492 2.405 2.615 . 0 0 "[ . 1 . 2]" 1
184 1 21 LEU H 1 21 LEU HB3 4.000 . 4.000 3.604 3.568 3.630 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU H 1 21 LEU MD1 4.500 . 4.500 3.484 3.358 3.622 . 0 0 "[ . 1 . 2]" 1
186 1 21 LEU H 1 21 LEU MD2 4.500 . 4.500 3.399 3.093 3.674 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU H 1 21 LEU HG 4.500 . 4.500 2.146 1.988 2.386 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU H 1 23 ALA H 5.000 . 5.000 4.072 3.938 4.261 . 0 0 "[ . 1 . 2]" 1
189 1 21 LEU HA 1 22 LYS H 4.000 . 4.000 3.539 3.507 3.574 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU HA 1 23 ALA H 4.500 . 4.500 4.004 3.802 4.242 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU HA 1 24 GLU H 4.000 . 4.000 3.173 2.933 3.537 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU HA 1 25 PHE H 4.500 . 4.500 4.126 3.727 4.460 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU HB2 1 22 LYS H 5.000 . 5.000 2.982 2.718 3.130 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU HB2 1 23 ALA H 5.000 . 5.000 5.002 4.852 5.059 0.059 8 0 "[ . 1 . 2]" 1
195 1 21 LEU HB2 1 24 GLU H 5.500 . 5.500 5.364 5.180 5.525 0.025 6 0 "[ . 1 . 2]" 1
196 1 21 LEU HB2 1 53 TRP HD1 7.000 . 7.000 5.993 5.649 6.405 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU HB2 1 53 TRP HH2 5.000 . 5.000 3.375 3.073 3.557 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU HB2 1 53 TRP HZ2 5.000 . 5.000 3.097 2.721 3.410 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU HB3 1 22 LYS H 4.500 . 4.500 4.015 3.829 4.142 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU HB3 1 53 TRP HH2 5.000 . 5.000 3.221 2.960 3.541 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU HB3 1 53 TRP HZ2 7.000 . 7.000 3.946 3.373 4.384 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU MD1 1 22 LYS H 5.000 . 5.000 4.742 4.507 4.867 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU MD1 1 23 ALA H 7.000 . 7.000 6.385 6.268 6.451 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU MD1 1 43 LEU MD1 5.000 . 5.000 2.641 2.486 3.001 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU MD1 1 43 LEU MD2 4.500 . 4.500 4.498 4.309 4.534 0.034 16 0 "[ . 1 . 2]" 1
206 1 21 LEU MD1 1 45 LEU MD1 5.500 . 5.500 2.653 2.056 3.467 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU MD1 1 50 ILE HA 5.000 . 5.000 3.840 3.527 4.485 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU MD1 1 50 ILE MD 5.500 . 5.500 3.766 3.246 4.639 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU MD1 1 50 ILE HG12 5.500 . 5.500 3.481 2.922 4.011 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU MD1 1 50 ILE MG 5.500 . 5.500 2.636 2.061 3.889 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU MD1 1 53 TRP HD1 5.500 . 5.500 3.969 3.533 4.542 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU MD1 1 53 TRP HE3 5.500 . 5.500 3.688 3.299 4.303 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU MD1 1 53 TRP HZ2 4.000 . 4.000 3.878 3.588 4.019 0.019 12 0 "[ . 1 . 2]" 1
214 1 21 LEU MD1 1 54 PHE QD 6.000 . 6.000 4.809 4.043 6.005 0.005 3 0 "[ . 1 . 2]" 1
215 1 21 LEU MD1 1 54 PHE QE 6.000 . 6.000 4.187 3.444 5.417 . 0 0 "[ . 1 . 2]" 1
216 1 21 LEU MD1 1 54 PHE HZ 6.000 . 6.000 5.275 4.185 6.006 0.006 12 0 "[ . 1 . 2]" 1
217 1 21 LEU MD2 1 24 GLU H 6.000 . 6.000 4.849 4.581 5.210 . 0 0 "[ . 1 . 2]" 1
218 1 21 LEU MD2 1 43 LEU MD1 5.000 . 5.000 2.138 2.031 2.263 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU MD2 1 43 LEU MD2 4.500 . 4.500 4.005 3.610 4.270 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU MD2 1 50 ILE MD 5.500 . 5.500 2.816 2.315 3.575 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU MD2 1 50 ILE MG 5.500 . 5.500 2.365 2.074 2.898 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU MD2 1 53 TRP HE3 4.500 . 4.500 4.333 4.023 4.512 0.012 16 0 "[ . 1 . 2]" 1
223 1 21 LEU MD2 1 53 TRP HH2 6.000 . 6.000 5.100 4.755 5.404 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU MD2 1 53 TRP HZ2 6.000 . 6.000 5.561 5.091 5.900 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU MD2 1 54 PHE QD 6.000 . 6.000 4.477 3.874 5.748 . 0 0 "[ . 1 . 2]" 1
226 1 21 LEU MD2 1 54 PHE QE 6.000 . 6.000 2.925 2.211 4.522 . 0 0 "[ . 1 . 2]" 1
227 1 21 LEU MD2 1 54 PHE HZ 6.000 . 6.000 3.646 2.251 4.715 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU HG 1 22 LYS H 6.000 . 6.000 4.409 4.235 4.577 . 0 0 "[ . 1 . 2]" 1
229 1 21 LEU HG 1 22 LYS QD 6.000 . 6.000 6.059 6.036 6.091 0.091 14 0 "[ . 1 . 2]" 1
230 1 21 LEU O 1 25 PHE H 2.500 . 2.500 2.188 2.014 2.507 0.007 20 0 "[ . 1 . 2]" 1
231 1 22 LYS H 1 22 LYS QB 3.500 . 3.500 2.371 2.208 2.629 . 0 0 "[ . 1 . 2]" 1
232 1 22 LYS H 1 22 LYS QD 4.500 . 4.500 3.430 3.257 3.608 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS H 1 22 LYS QG 5.000 . 5.000 2.504 2.122 2.706 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS H 1 23 ALA H 4.000 . 4.000 2.391 2.243 2.529 . 0 0 "[ . 1 . 2]" 1
235 1 22 LYS H 1 53 TRP HH2 5.500 . 5.500 3.904 3.716 4.214 . 0 0 "[ . 1 . 2]" 1
236 1 22 LYS HA 1 23 ALA H 4.000 . 4.000 3.502 3.463 3.531 . 0 0 "[ . 1 . 2]" 1
237 1 22 LYS HA 1 25 PHE H 5.000 . 5.000 3.247 2.846 3.818 . 0 0 "[ . 1 . 2]" 1
238 1 22 LYS HA 1 25 PHE QD 6.500 . 6.500 4.223 3.114 5.251 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS HA 1 53 TRP HH2 4.500 . 4.500 2.408 2.218 2.769 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS HA 1 53 TRP HZ2 5.500 . 5.500 3.903 3.564 4.155 . 0 0 "[ . 1 . 2]" 1
241 1 22 LYS QB 1 23 ALA H 4.000 . 4.000 2.915 2.743 3.082 . 0 0 "[ . 1 . 2]" 1
242 1 22 LYS QB 1 24 GLU H 5.000 . 5.000 4.729 4.499 4.876 . 0 0 "[ . 1 . 2]" 1
243 1 22 LYS QB 1 25 PHE QD 7.000 . 7.000 5.224 4.170 6.547 . 0 0 "[ . 1 . 2]" 1
244 1 22 LYS QB 1 53 TRP HH2 5.000 . 5.000 4.177 3.833 4.547 . 0 0 "[ . 1 . 2]" 1
245 1 22 LYS QB 1 53 TRP HZ2 4.500 . 4.500 4.441 4.223 4.606 0.106 11 0 "[ . 1 . 2]" 1
246 1 22 LYS QD 1 23 ALA H 5.000 . 5.000 4.955 4.795 5.035 0.035 1 0 "[ . 1 . 2]" 1
247 1 22 LYS QD 1 53 TRP HH2 5.000 . 5.000 3.324 2.018 4.917 . 0 0 "[ . 1 . 2]" 1
248 1 22 LYS QD 1 53 TRP HZ2 4.500 . 4.500 2.605 1.956 3.927 . 0 0 "[ . 1 . 2]" 1
249 1 22 LYS QG 1 53 TRP HH2 5.000 . 5.000 3.228 2.267 4.128 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS QG 1 53 TRP HZ2 4.500 . 4.500 2.563 2.065 3.360 . 0 0 "[ . 1 . 2]" 1
251 1 23 ALA H 1 23 ALA HA 3.000 . 3.000 2.871 2.837 2.888 . 0 0 "[ . 1 . 2]" 1
252 1 23 ALA H 1 23 ALA MB 3.000 . 3.000 2.273 2.247 2.307 . 0 0 "[ . 1 . 2]" 1
253 1 23 ALA H 1 24 GLU H 4.000 . 4.000 2.368 2.277 2.547 . 0 0 "[ . 1 . 2]" 1
254 1 23 ALA H 1 25 PHE H 5.000 . 5.000 3.817 3.600 4.205 . 0 0 "[ . 1 . 2]" 1
255 1 23 ALA HA 1 24 GLU H 5.000 . 5.000 3.559 3.490 3.618 . 0 0 "[ . 1 . 2]" 1
256 1 23 ALA HA 1 26 GLN H 5.000 . 5.000 3.797 3.289 4.445 . 0 0 "[ . 1 . 2]" 1
257 1 23 ALA MB 1 24 GLU H 3.500 . 3.500 2.775 2.601 3.021 . 0 0 "[ . 1 . 2]" 1
258 1 23 ALA MB 1 25 PHE H 5.000 . 5.000 4.551 4.285 4.869 . 0 0 "[ . 1 . 2]" 1
259 1 23 ALA MB 1 26 GLN H 5.000 . 5.000 4.858 4.560 5.048 0.048 9 0 "[ . 1 . 2]" 1
260 1 24 GLU H 1 24 GLU QB 3.000 . 3.000 2.380 2.106 2.822 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLU H 1 24 GLU QG 4.500 . 4.500 3.019 2.123 4.080 . 0 0 "[ . 1 . 2]" 1
262 1 24 GLU H 1 25 PHE H 4.000 . 4.000 2.451 2.145 2.678 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLU H 1 25 PHE HB2 6.000 . 6.000 4.642 4.362 4.837 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLU H 1 25 PHE HB3 6.000 . 6.000 4.750 4.382 5.079 . 0 0 "[ . 1 . 2]" 1
265 1 24 GLU H 1 26 GLN H 5.000 . 5.000 4.100 3.818 4.470 . 0 0 "[ . 1 . 2]" 1
266 1 24 GLU HA 1 25 PHE H 4.500 . 4.500 3.545 3.379 3.643 . 0 0 "[ . 1 . 2]" 1
267 1 24 GLU QB 1 25 PHE H 4.500 . 4.500 3.020 2.384 3.994 . 0 0 "[ . 1 . 2]" 1
268 1 24 GLU QB 1 35 ARG QH2 5.000 . 5.000 3.913 2.309 6.434 1.434 19 4 "[ . -1 **. +2]" 1
269 1 24 GLU QG 1 25 PHE H 5.500 . 5.500 3.959 2.534 4.676 . 0 0 "[ . 1 . 2]" 1
270 1 25 PHE H 1 25 PHE HB2 4.000 . 4.000 2.505 2.323 2.826 . 0 0 "[ . 1 . 2]" 1
271 1 25 PHE H 1 25 PHE HB3 4.000 . 4.000 2.555 2.371 2.820 . 0 0 "[ . 1 . 2]" 1
272 1 25 PHE H 1 26 GLN H 3.500 . 3.500 2.600 2.097 2.996 . 0 0 "[ . 1 . 2]" 1
273 1 25 PHE H 1 28 ASN H 6.000 . 6.000 5.176 4.678 5.672 . 0 0 "[ . 1 . 2]" 1
274 1 25 PHE H 1 53 TRP HH2 6.000 . 6.000 4.252 3.999 4.396 . 0 0 "[ . 1 . 2]" 1
275 1 25 PHE H 1 53 TRP HZ2 6.500 . 6.500 6.444 5.947 6.540 0.040 12 0 "[ . 1 . 2]" 1
276 1 25 PHE HA 1 26 GLN H 4.500 . 4.500 3.483 2.762 3.582 . 0 0 "[ . 1 . 2]" 1
277 1 25 PHE HA 1 54 PHE QE 6.000 . 6.000 2.937 2.149 4.191 . 0 0 "[ . 1 . 2]" 1
278 1 25 PHE HA 1 54 PHE HZ 6.000 . 6.000 4.079 2.957 6.003 0.003 18 0 "[ . 1 . 2]" 1
279 1 25 PHE HB2 1 26 GLN H 4.500 . 4.500 4.083 3.787 4.502 0.002 12 0 "[ . 1 . 2]" 1
280 1 25 PHE HB2 1 53 TRP HH2 5.000 . 5.000 2.807 2.188 3.692 . 0 0 "[ . 1 . 2]" 1
281 1 25 PHE HB2 1 53 TRP HZ3 4.500 . 4.500 2.595 2.310 2.906 . 0 0 "[ . 1 . 2]" 1
282 1 25 PHE HB3 1 26 GLN H 4.500 . 4.500 2.996 2.591 4.153 . 0 0 "[ . 1 . 2]" 1
283 1 25 PHE HB3 1 53 TRP HH2 5.000 . 5.000 3.438 3.002 4.036 . 0 0 "[ . 1 . 2]" 1
284 1 25 PHE HB3 1 53 TRP HZ3 4.500 . 4.500 4.080 3.002 4.511 0.011 16 0 "[ . 1 . 2]" 1
285 1 25 PHE QD 1 26 GLN H 4.500 . 4.500 4.164 3.686 4.658 0.158 18 0 "[ . 1 . 2]" 1
286 1 25 PHE QD 1 53 TRP HH2 7.000 . 7.000 3.990 3.539 4.729 . 0 0 "[ . 1 . 2]" 1
287 1 25 PHE QD 1 53 TRP HZ3 6.000 . 6.000 3.128 2.190 4.146 . 0 0 "[ . 1 . 2]" 1
288 1 25 PHE QD 1 54 PHE HA 5.500 . 5.500 4.209 3.211 5.502 0.002 3 0 "[ . 1 . 2]" 1
289 1 25 PHE QD 1 54 PHE QD 6.500 . 6.500 2.976 2.135 3.996 . 0 0 "[ . 1 . 2]" 1
290 1 25 PHE QD 1 54 PHE QE 6.500 . 6.500 2.642 2.170 3.078 . 0 0 "[ . 1 . 2]" 1
291 1 25 PHE QE 1 29 ARG HD2 6.000 . 6.000 3.446 2.336 4.863 . 0 0 "[ . 1 . 2]" 1
292 1 25 PHE QE 1 29 ARG HG3 6.000 . 6.000 3.876 2.181 5.141 . 0 0 "[ . 1 . 2]" 1
293 1 25 PHE QE 1 54 PHE HA 6.000 . 6.000 4.055 2.861 5.427 . 0 0 "[ . 1 . 2]" 1
294 1 25 PHE QE 1 54 PHE QD 7.000 . 7.000 3.182 2.733 3.927 . 0 0 "[ . 1 . 2]" 1
295 1 25 PHE QE 1 54 PHE QE 7.000 . 7.000 4.195 2.786 4.915 . 0 0 "[ . 1 . 2]" 1
296 1 25 PHE QE 1 57 LYS HB2 6.500 . 6.500 3.152 2.238 4.273 . 0 0 "[ . 1 . 2]" 1
297 1 25 PHE QE 1 57 LYS HB3 6.500 . 6.500 2.878 2.030 3.575 . 0 0 "[ . 1 . 2]" 1
298 1 25 PHE QE 1 57 LYS QE 5.000 . 5.000 4.521 3.247 5.082 0.082 10 0 "[ . 1 . 2]" 1
299 1 25 PHE QE 1 58 ARG HA 5.000 . 5.000 4.009 2.724 5.013 0.013 10 0 "[ . 1 . 2]" 1
300 1 25 PHE QE 1 58 ARG QG 5.500 . 5.500 2.940 2.096 4.460 . 0 0 "[ . 1 . 2]" 1
301 1 25 PHE HZ 1 29 ARG HD2 4.500 . 4.500 3.550 2.591 5.327 0.827 16 1 "[ . 1 .+ 2]" 1
302 1 25 PHE HZ 1 29 ARG HG3 5.000 . 5.000 4.547 3.209 5.060 0.060 11 0 "[ . 1 . 2]" 1
303 1 25 PHE HZ 1 57 LYS QE 7.000 . 7.000 5.689 3.858 6.991 . 0 0 "[ . 1 . 2]" 1
304 1 25 PHE HZ 1 58 ARG HA 4.500 . 4.500 3.327 2.263 4.513 0.013 7 0 "[ . 1 . 2]" 1
305 1 25 PHE HZ 1 58 ARG QG 5.000 . 5.000 3.163 2.293 5.005 0.005 17 0 "[ . 1 . 2]" 1
306 1 26 GLN H 1 26 GLN QB 3.500 . 3.500 2.274 2.136 2.688 . 0 0 "[ . 1 . 2]" 1
307 1 26 GLN H 1 26 GLN QG 4.000 . 4.000 3.570 1.852 4.034 0.034 12 0 "[ . 1 . 2]" 1
308 1 26 GLN H 1 27 THR H 3.500 . 3.500 2.716 2.298 3.070 . 0 0 "[ . 1 . 2]" 1
309 1 26 GLN HA 1 27 THR H 4.500 . 4.500 3.609 3.586 3.634 . 0 0 "[ . 1 . 2]" 1
310 1 26 GLN HA 1 28 ASN H 5.500 . 5.500 5.414 4.822 5.547 0.047 16 0 "[ . 1 . 2]" 1
311 1 26 GLN QB 1 27 THR H 3.500 . 3.500 2.541 2.114 3.423 . 0 0 "[ . 1 . 2]" 1
312 1 26 GLN QB 1 28 ASN H 5.000 . 5.000 4.888 4.310 5.109 0.109 3 0 "[ . 1 . 2]" 1
313 1 26 GLN QG 1 27 THR H 5.000 . 5.000 3.402 1.937 3.988 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLN QG 1 28 ASN H 6.000 . 6.000 5.513 3.778 6.002 0.002 17 0 "[ . 1 . 2]" 1
315 1 27 THR H 1 27 THR HB 3.500 . 3.500 2.498 2.449 2.598 . 0 0 "[ . 1 . 2]" 1
316 1 27 THR H 1 27 THR MG 4.000 . 4.000 3.781 3.765 3.797 . 0 0 "[ . 1 . 2]" 1
317 1 27 THR H 1 28 ASN H 4.000 . 4.000 2.568 2.085 2.782 . 0 0 "[ . 1 . 2]" 1
318 1 27 THR HA 1 28 ASN H 3.500 . 3.500 3.558 3.537 3.570 0.070 2 0 "[ . 1 . 2]" 1
319 1 27 THR HB 1 28 ASN H 3.500 . 3.500 2.110 1.911 2.427 . 0 0 "[ . 1 . 2]" 1
320 1 27 THR HB 1 29 ARG H 6.000 . 6.000 5.854 5.212 6.044 0.044 6 0 "[ . 1 . 2]" 1
321 1 27 THR MG 1 28 ASN H 4.000 . 4.000 3.181 3.027 3.571 . 0 0 "[ . 1 . 2]" 1
322 1 28 ASN H 1 28 ASN HA 3.000 . 3.000 2.906 2.836 2.939 . 0 0 "[ . 1 . 2]" 1
323 1 28 ASN H 1 28 ASN QB 3.500 . 3.500 2.326 2.287 2.382 . 0 0 "[ . 1 . 2]" 1
324 1 28 ASN H 1 28 ASN HD21 5.000 . 5.000 3.759 2.501 4.801 . 0 0 "[ . 1 . 2]" 1
325 1 28 ASN H 1 29 ARG H 5.000 . 5.000 4.098 3.448 4.409 . 0 0 "[ . 1 . 2]" 1
326 1 28 ASN HA 1 29 ARG H 3.500 . 3.500 2.244 2.067 2.694 . 0 0 "[ . 1 . 2]" 1
327 1 28 ASN HA 1 30 TYR H 5.000 . 5.000 3.715 2.779 4.458 . 0 0 "[ . 1 . 2]" 1
328 1 28 ASN QB 1 29 ARG H 4.500 . 4.500 3.652 3.187 3.987 . 0 0 "[ . 1 . 2]" 1
329 1 28 ASN QB 1 35 ARG QH2 5.000 . 5.000 2.842 1.966 6.437 1.437 13 1 "[ . 1 + . 2]" 1
330 1 29 ARG H 1 29 ARG HB2 4.000 . 4.000 2.418 2.112 2.608 . 0 0 "[ . 1 . 2]" 1
331 1 29 ARG H 1 29 ARG HB3 4.000 . 4.000 3.078 2.427 3.752 . 0 0 "[ . 1 . 2]" 1
332 1 29 ARG H 1 29 ARG HE 5.500 . 5.500 4.432 2.585 5.266 . 0 0 "[ . 1 . 2]" 1
333 1 29 ARG H 1 29 ARG HG2 4.500 . 4.500 4.094 2.548 4.532 0.032 7 0 "[ . 1 . 2]" 1
334 1 29 ARG H 1 29 ARG HG3 4.500 . 4.500 3.926 2.496 4.500 . 0 0 "[ . 1 . 2]" 1
335 1 29 ARG H 1 30 TYR H 4.000 . 4.000 2.384 1.811 2.940 . 0 0 "[ . 1 . 2]" 1
336 1 29 ARG HA 1 30 TYR H 4.000 . 4.000 3.572 3.270 3.641 . 0 0 "[ . 1 . 2]" 1
337 1 29 ARG HA 1 31 LEU H 5.000 . 5.000 4.570 3.938 5.034 0.034 9 0 "[ . 1 . 2]" 1
338 1 29 ARG HB2 1 30 TYR H 4.000 . 4.000 3.141 2.087 3.795 . 0 0 "[ . 1 . 2]" 1
339 1 29 ARG HB2 1 30 TYR QD 6.000 . 6.000 3.980 2.828 4.978 . 0 0 "[ . 1 . 2]" 1
340 1 29 ARG HB2 1 30 TYR QE 6.000 . 6.000 4.323 3.449 6.004 0.004 16 0 "[ . 1 . 2]" 1
341 1 29 ARG HB3 1 29 ARG HE 5.000 . 5.000 3.327 2.163 4.601 . 0 0 "[ . 1 . 2]" 1
342 1 29 ARG HB3 1 30 TYR H 4.500 . 4.500 2.832 1.827 4.325 . 0 0 "[ . 1 . 2]" 1
343 1 29 ARG HB3 1 31 LEU H 5.000 . 5.000 5.058 4.948 5.107 0.107 16 0 "[ . 1 . 2]" 1
344 1 29 ARG HE 1 30 TYR H 6.000 . 6.000 4.830 3.507 6.061 0.061 18 0 "[ . 1 . 2]" 1
345 1 29 ARG HG2 1 30 TYR H 5.500 . 5.500 4.510 3.223 5.047 . 0 0 "[ . 1 . 2]" 1
346 1 29 ARG HG3 1 30 TYR H 5.500 . 5.500 4.538 3.337 5.549 0.049 10 0 "[ . 1 . 2]" 1
347 1 30 TYR H 1 30 TYR HB2 3.500 . 3.500 2.379 2.299 2.462 . 0 0 "[ . 1 . 2]" 1
348 1 30 TYR HA 1 30 TYR QE 6.000 . 6.000 4.470 4.350 4.662 . 0 0 "[ . 1 . 2]" 1
349 1 30 TYR HA 1 31 LEU H 3.000 . 3.000 2.242 2.031 2.480 . 0 0 "[ . 1 . 2]" 1
350 1 30 TYR HB2 1 31 LEU H 4.500 . 4.500 4.502 4.465 4.528 0.028 1 0 "[ . 1 . 2]" 1
351 1 30 TYR HB3 1 31 LEU H 4.500 . 4.500 4.131 3.807 4.412 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU H 1 31 LEU QB 3.500 . 3.500 2.355 2.045 3.061 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU H 1 31 LEU MD2 4.500 . 4.500 3.653 1.791 4.418 0.009 16 0 "[ . 1 . 2]" 1
354 1 31 LEU H 1 31 LEU HG 4.500 . 4.500 3.561 2.171 4.518 0.018 10 0 "[ . 1 . 2]" 1
355 1 31 LEU H 1 32 THR H 4.500 . 4.500 4.536 4.411 4.579 0.079 19 0 "[ . 1 . 2]" 1
356 1 31 LEU QB 1 32 THR H 4.500 . 4.500 3.079 2.030 3.913 . 0 0 "[ . 1 . 2]" 1
357 1 31 LEU MD1 1 35 ARG HE 5.000 . 5.000 3.747 2.032 5.023 0.023 2 0 "[ . 1 . 2]" 1
358 1 31 LEU MD1 1 36 ARG H 5.500 . 5.500 3.806 2.670 5.105 . 0 0 "[ . 1 . 2]" 1
359 1 31 LEU MD1 1 36 ARG HA 4.000 . 4.000 2.883 2.101 4.043 0.043 16 0 "[ . 1 . 2]" 1
360 1 31 LEU MD1 1 36 ARG QG 4.500 . 4.500 3.236 2.106 4.524 0.024 5 0 "[ . 1 . 2]" 1
361 1 31 LEU MD1 1 39 LEU HB2 6.000 . 6.000 4.652 4.024 5.510 . 0 0 "[ . 1 . 2]" 1
362 1 31 LEU MD1 1 39 LEU HB3 5.500 . 5.500 5.172 4.772 5.788 0.288 20 0 "[ . 1 . 2]" 1
363 1 31 LEU MD1 1 39 LEU MD2 4.500 . 4.500 3.735 2.619 4.359 . 0 0 "[ . 1 . 2]" 1
364 1 31 LEU MD1 1 50 ILE MG 6.000 . 6.000 3.441 2.128 4.389 . 0 0 "[ . 1 . 2]" 1
365 1 31 LEU MD1 1 54 PHE QD 6.000 . 6.000 3.596 2.376 4.664 . 0 0 "[ . 1 . 2]" 1
366 1 31 LEU MD1 1 54 PHE QE 5.500 . 5.500 2.748 2.064 3.834 . 0 0 "[ . 1 . 2]" 1
367 1 31 LEU MD1 1 54 PHE HZ 4.000 . 4.000 3.079 2.169 4.029 0.029 14 0 "[ . 1 . 2]" 1
368 1 31 LEU MD2 1 32 THR H 4.000 . 4.000 3.617 3.145 4.056 0.056 1 0 "[ . 1 . 2]" 1
369 1 31 LEU MD2 1 36 ARG HA 4.000 . 4.000 3.279 2.168 4.042 0.042 14 0 "[ . 1 . 2]" 1
370 1 31 LEU MD2 1 36 ARG QG 4.500 . 4.500 3.693 2.274 4.553 0.053 3 0 "[ . 1 . 2]" 1
371 1 31 LEU MD2 1 39 LEU HB3 6.000 . 6.000 5.428 4.777 5.951 . 0 0 "[ . 1 . 2]" 1
372 1 31 LEU MD2 1 39 LEU MD2 4.500 . 4.500 3.762 2.976 4.527 0.027 18 0 "[ . 1 . 2]" 1
373 1 31 LEU MD2 1 50 ILE MG 6.000 . 6.000 3.753 1.933 4.757 . 0 0 "[ . 1 . 2]" 1
374 1 31 LEU MD2 1 54 PHE QD 6.000 . 6.000 3.745 2.402 5.567 . 0 0 "[ . 1 . 2]" 1
375 1 31 LEU MD2 1 54 PHE QE 5.500 . 5.500 2.946 2.314 3.924 . 0 0 "[ . 1 . 2]" 1
376 1 31 LEU HG 1 32 THR H 5.000 . 5.000 4.061 2.306 5.014 0.014 17 0 "[ . 1 . 2]" 1
377 1 31 LEU HG 1 54 PHE QD 5.500 . 5.500 4.404 3.269 5.557 0.057 7 0 "[ . 1 . 2]" 1
378 1 31 LEU HG 1 54 PHE QE 5.500 . 5.500 3.841 2.606 5.250 . 0 0 "[ . 1 . 2]" 1
379 1 32 THR H 1 32 THR HA 3.000 . 3.000 2.924 2.872 2.949 . 0 0 "[ . 1 . 2]" 1
380 1 32 THR H 1 32 THR HB 4.000 . 4.000 3.741 3.640 3.858 . 0 0 "[ . 1 . 2]" 1
381 1 32 THR H 1 32 THR MG 3.500 . 3.500 2.438 2.159 2.963 . 0 0 "[ . 1 . 2]" 1
382 1 32 THR H 1 33 GLU H 4.500 . 4.500 4.478 4.348 4.532 0.032 14 0 "[ . 1 . 2]" 1
383 1 32 THR H 1 34 GLN H 4.500 . 4.500 4.436 4.050 4.559 0.059 14 0 "[ . 1 . 2]" 1
384 1 32 THR H 1 35 ARG H 6.000 . 6.000 3.459 3.083 3.949 . 0 0 "[ . 1 . 2]" 1
385 1 32 THR H 1 35 ARG QB 4.000 . 4.000 2.513 1.780 4.046 0.046 19 0 "[ . 1 . 2]" 1
386 1 32 THR H 1 35 ARG HD2 5.500 . 5.500 4.454 3.408 5.786 0.286 1 0 "[ . 1 . 2]" 1
387 1 32 THR H 1 35 ARG HD3 6.000 . 6.000 3.543 2.049 5.501 . 0 0 "[ . 1 . 2]" 1
388 1 32 THR H 1 35 ARG QG 4.500 . 4.500 3.509 1.835 4.537 0.037 14 0 "[ . 1 . 2]" 1
389 1 32 THR H 1 36 ARG H 6.000 . 6.000 3.590 3.039 4.073 . 0 0 "[ . 1 . 2]" 1
390 1 32 THR HA 1 33 GLU H 3.500 . 3.500 2.519 2.309 2.651 . 0 0 "[ . 1 . 2]" 1
391 1 32 THR HA 1 34 GLN H 4.000 . 4.000 3.998 3.742 4.064 0.064 13 0 "[ . 1 . 2]" 1
392 1 32 THR HA 1 35 ARG H 5.000 . 5.000 4.641 4.517 4.772 . 0 0 "[ . 1 . 2]" 1
393 1 32 THR HA 1 36 ARG H 5.000 . 5.000 5.013 4.958 5.049 0.049 19 0 "[ . 1 . 2]" 1
394 1 32 THR HB 1 33 GLU H 4.000 . 4.000 2.345 2.118 2.763 . 0 0 "[ . 1 . 2]" 1
395 1 32 THR HB 1 34 GLN H 5.000 . 5.000 2.678 2.431 2.968 . 0 0 "[ . 1 . 2]" 1
396 1 32 THR MG 1 33 GLU H 5.000 . 5.000 3.822 3.703 4.027 . 0 0 "[ . 1 . 2]" 1
397 1 32 THR MG 1 34 GLN H 4.500 . 4.500 4.082 3.997 4.275 . 0 0 "[ . 1 . 2]" 1
398 1 32 THR MG 1 35 ARG H 5.000 . 5.000 3.966 3.858 4.192 . 0 0 "[ . 1 . 2]" 1
399 1 32 THR MG 1 36 ARG H 5.000 . 5.000 5.083 5.035 5.128 0.128 7 0 "[ . 1 . 2]" 1
400 1 32 THR O 1 36 ARG H 2.500 . 2.500 2.208 1.979 2.514 0.014 20 0 "[ . 1 . 2]" 1
401 1 33 GLU H 1 33 GLU HB2 4.000 . 4.000 2.817 2.350 3.650 . 0 0 "[ . 1 . 2]" 1
402 1 33 GLU H 1 33 GLU HB3 4.000 . 4.000 3.001 2.396 3.626 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLU H 1 33 GLU QG 4.500 . 4.500 2.873 1.986 4.005 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLU H 1 34 GLN H 4.000 . 4.000 2.446 2.300 2.709 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLU HA 1 34 GLN H 4.500 . 4.500 3.460 3.374 3.508 . 0 0 "[ . 1 . 2]" 1
406 1 33 GLU HA 1 36 ARG H 4.500 . 4.500 3.728 3.330 4.181 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLU HA 1 36 ARG HE 4.500 . 4.500 3.907 1.859 4.526 0.026 8 0 "[ . 1 . 2]" 1
408 1 33 GLU HA 1 37 GLN H 5.500 . 5.500 4.394 4.078 5.010 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLU QG 1 34 GLN H 4.500 . 4.500 3.888 2.700 4.598 0.098 5 0 "[ . 1 . 2]" 1
410 1 34 GLN H 1 34 GLN HB2 3.500 . 3.500 2.538 2.310 2.761 . 0 0 "[ . 1 . 2]" 1
411 1 34 GLN H 1 34 GLN HB3 3.500 . 3.500 2.578 2.396 3.561 0.061 13 0 "[ . 1 . 2]" 1
412 1 34 GLN H 1 34 GLN QG 4.000 . 4.000 3.948 2.652 4.035 0.035 14 0 "[ . 1 . 2]" 1
413 1 34 GLN H 1 35 ARG H 3.500 . 3.500 2.338 2.173 2.481 . 0 0 "[ . 1 . 2]" 1
414 1 34 GLN H 1 35 ARG QB 4.500 . 4.500 4.162 3.727 4.518 0.018 19 0 "[ . 1 . 2]" 1
415 1 34 GLN H 1 37 GLN H 6.000 . 6.000 4.632 4.315 4.977 . 0 0 "[ . 1 . 2]" 1
416 1 34 GLN HA 1 35 ARG H 4.500 . 4.500 3.583 3.515 3.640 . 0 0 "[ . 1 . 2]" 1
417 1 34 GLN HA 1 36 ARG H 4.500 . 4.500 4.502 4.309 4.547 0.047 17 0 "[ . 1 . 2]" 1
418 1 34 GLN HA 1 37 GLN H 5.000 . 5.000 3.639 3.103 4.060 . 0 0 "[ . 1 . 2]" 1
419 1 34 GLN HB2 1 35 ARG H 4.000 . 4.000 3.824 3.054 4.003 0.003 9 0 "[ . 1 . 2]" 1
420 1 34 GLN HB3 1 35 ARG H 4.000 . 4.000 2.747 2.500 3.940 . 0 0 "[ . 1 . 2]" 1
421 1 34 GLN HE22 1 37 GLN QG 5.000 . 5.000 4.274 3.310 4.849 . 0 0 "[ . 1 . 2]" 1
422 1 34 GLN QG 1 35 ARG H 5.000 . 5.000 4.112 3.551 4.595 . 0 0 "[ . 1 . 2]" 1
423 1 35 ARG H 1 35 ARG QB 3.500 . 3.500 2.244 1.969 2.468 . 0 0 "[ . 1 . 2]" 1
424 1 35 ARG H 1 35 ARG HD2 5.500 . 5.500 4.994 4.116 5.970 0.470 13 0 "[ . 1 . 2]" 1
425 1 35 ARG H 1 35 ARG QG 4.000 . 4.000 2.979 2.477 3.977 . 0 0 "[ . 1 . 2]" 1
426 1 35 ARG H 1 36 ARG H 3.500 . 3.500 2.405 2.179 2.665 . 0 0 "[ . 1 . 2]" 1
427 1 35 ARG H 1 37 GLN H 5.000 . 5.000 3.980 3.577 4.235 . 0 0 "[ . 1 . 2]" 1
428 1 35 ARG HA 1 36 ARG H 4.000 . 4.000 3.538 3.486 3.571 . 0 0 "[ . 1 . 2]" 1
429 1 35 ARG HA 1 38 SER H 4.500 . 4.500 3.375 2.866 3.849 . 0 0 "[ . 1 . 2]" 1
430 1 35 ARG QB 1 35 ARG HE 3.500 . 3.500 2.593 2.035 3.721 0.221 18 0 "[ . 1 . 2]" 1
431 1 35 ARG QB 1 36 ARG H 4.000 . 4.000 2.603 2.232 3.643 . 0 0 "[ . 1 . 2]" 1
432 1 35 ARG QB 1 37 GLN H 4.500 . 4.500 4.566 4.522 4.702 0.202 20 0 "[ . 1 . 2]" 1
433 1 35 ARG QB 1 38 SER H 4.500 . 4.500 4.535 4.334 4.627 0.127 2 0 "[ . 1 . 2]" 1
434 1 35 ARG HE 1 35 ARG QG 3.000 . 3.000 2.887 1.990 3.086 0.086 4 0 "[ . 1 . 2]" 1
435 1 35 ARG HE 1 39 LEU MD2 5.000 . 5.000 4.251 2.497 5.041 0.041 19 0 "[ . 1 . 2]" 1
436 1 35 ARG QG 1 35 ARG QH2 3.000 . 3.000 4.054 3.591 4.570 1.570 1 20 [+******************-] 1
437 1 35 ARG O 1 39 LEU H 2.500 . 2.500 2.378 2.239 2.515 0.015 5 0 "[ . 1 . 2]" 1
438 1 36 ARG H 1 36 ARG QB 3.500 . 3.500 2.195 2.137 2.244 . 0 0 "[ . 1 . 2]" 1
439 1 36 ARG H 1 36 ARG HD3 6.000 . 6.000 5.558 4.309 6.002 0.002 4 0 "[ . 1 . 2]" 1
440 1 36 ARG H 1 36 ARG QG 4.500 . 4.500 3.954 3.884 3.986 . 0 0 "[ . 1 . 2]" 1
441 1 36 ARG H 1 37 GLN H 3.500 . 3.500 2.774 2.526 2.952 . 0 0 "[ . 1 . 2]" 1
442 1 36 ARG H 1 39 LEU MD2 5.000 . 5.000 5.035 5.004 5.068 0.068 5 0 "[ . 1 . 2]" 1
443 1 36 ARG HA 1 37 GLN H 4.500 . 4.500 3.548 3.471 3.598 . 0 0 "[ . 1 . 2]" 1
444 1 36 ARG HA 1 39 LEU H 4.000 . 4.000 3.354 3.048 3.553 . 0 0 "[ . 1 . 2]" 1
445 1 36 ARG QB 1 36 ARG HE 3.500 . 3.500 2.448 1.796 3.559 0.059 19 0 "[ . 1 . 2]" 1
446 1 36 ARG HD3 1 37 GLN H 6.000 . 6.000 6.105 5.067 6.775 0.775 18 3 "[ * - 1 . + 2]" 1
447 1 36 ARG QG 1 37 GLN H 4.500 . 4.500 3.911 3.671 4.305 . 0 0 "[ . 1 . 2]" 1
448 1 36 ARG QG 1 38 SER H 5.000 . 5.000 5.030 4.949 5.059 0.059 13 0 "[ . 1 . 2]" 1
449 1 36 ARG QG 1 39 LEU H 5.000 . 5.000 4.648 4.340 4.823 . 0 0 "[ . 1 . 2]" 1
450 1 36 ARG O 1 40 ALA H 2.500 . 2.500 2.442 2.284 2.530 0.030 17 0 "[ . 1 . 2]" 1
451 1 37 GLN H 1 37 GLN QG . . 4.000 2.880 1.975 3.794 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLN QB 1 38 SER H 4.000 . 4.000 3.433 2.859 4.000 . 0 0 "[ . 1 . 2]" 1
453 1 37 GLN QB 1 39 LEU H 5.000 . 5.000 4.910 4.721 5.024 0.024 15 0 "[ . 1 . 2]" 1
454 1 37 GLN QB 1 40 ALA H 5.000 . 5.000 4.662 4.061 5.014 0.014 6 0 "[ . 1 . 2]" 1
455 1 37 GLN QG 1 38 SER H 5.000 . 5.000 3.602 2.687 4.291 . 0 0 "[ . 1 . 2]" 1
456 1 37 GLN QG 1 40 ALA H 5.500 . 5.500 4.866 4.621 5.135 . 0 0 "[ . 1 . 2]" 1
457 1 38 SER H 1 38 SER QB 3.000 . 3.000 2.436 2.284 2.538 . 0 0 "[ . 1 . 2]" 1
458 1 38 SER H 1 39 LEU H 3.500 . 3.500 2.202 1.932 2.466 . 0 0 "[ . 1 . 2]" 1
459 1 38 SER HA 1 39 LEU H 4.000 . 4.000 3.547 3.468 3.614 . 0 0 "[ . 1 . 2]" 1
460 1 38 SER HA 1 41 GLN H 4.500 . 4.500 2.987 2.721 3.207 . 0 0 "[ . 1 . 2]" 1
461 1 38 SER HA 1 42 GLU H 5.000 . 5.000 4.460 4.194 4.759 . 0 0 "[ . 1 . 2]" 1
462 1 38 SER QB 1 39 LEU H 3.500 . 3.500 2.908 2.660 3.098 . 0 0 "[ . 1 . 2]" 1
463 1 38 SER QB 1 40 ALA H 4.500 . 4.500 4.527 4.517 4.540 0.040 13 0 "[ . 1 . 2]" 1
464 1 38 SER QB 1 41 GLN H 4.500 . 4.500 4.542 4.518 4.612 0.112 14 0 "[ . 1 . 2]" 1
465 1 38 SER O 1 42 GLU H 2.500 . 2.500 2.500 2.433 2.550 0.050 12 0 "[ . 1 . 2]" 1
466 1 39 LEU H 1 39 LEU HB2 4.000 . 4.000 2.735 2.593 2.918 . 0 0 "[ . 1 . 2]" 1
467 1 39 LEU H 1 39 LEU HB3 4.000 . 4.000 3.661 3.617 3.702 . 0 0 "[ . 1 . 2]" 1
468 1 39 LEU H 1 39 LEU MD1 5.000 . 5.000 3.828 3.679 3.965 . 0 0 "[ . 1 . 2]" 1
469 1 39 LEU H 1 39 LEU MD2 4.000 . 4.000 2.784 2.546 3.073 . 0 0 "[ . 1 . 2]" 1
470 1 39 LEU H 1 39 LEU HG 4.500 . 4.500 2.239 1.980 2.459 . 0 0 "[ . 1 . 2]" 1
471 1 39 LEU H 1 40 ALA H 3.000 . 3.000 2.295 2.082 2.473 . 0 0 "[ . 1 . 2]" 1
472 1 39 LEU H 1 41 GLN H 4.500 . 4.500 3.839 3.544 4.063 . 0 0 "[ . 1 . 2]" 1
473 1 39 LEU HA 1 40 ALA H 4.000 . 4.000 3.495 3.473 3.528 . 0 0 "[ . 1 . 2]" 1
474 1 39 LEU HA 1 43 LEU H 5.500 . 5.500 3.921 3.445 4.545 . 0 0 "[ . 1 . 2]" 1
475 1 39 LEU HB2 1 40 ALA H 4.500 . 4.500 2.978 2.841 3.198 . 0 0 "[ . 1 . 2]" 1
476 1 39 LEU HB2 1 42 GLU H 5.500 . 5.500 5.307 5.110 5.526 0.026 4 0 "[ . 1 . 2]" 1
477 1 39 LEU HB3 1 40 ALA H 4.500 . 4.500 4.133 4.043 4.333 . 0 0 "[ . 1 . 2]" 1
478 1 39 LEU HB3 1 42 GLU H 5.500 . 5.500 5.057 4.739 5.417 . 0 0 "[ . 1 . 2]" 1
479 1 39 LEU MD1 1 40 ALA H 5.500 . 5.500 4.779 4.479 4.966 . 0 0 "[ . 1 . 2]" 1
480 1 39 LEU MD2 1 40 ALA H 4.500 . 4.500 4.473 4.397 4.516 0.016 18 0 "[ . 1 . 2]" 1
481 1 39 LEU MD2 1 41 GLN H 5.500 . 5.500 5.345 5.201 5.504 0.004 4 0 "[ . 1 . 2]" 1
482 1 39 LEU MD2 1 42 GLU H 5.500 . 5.500 5.061 4.781 5.500 0.000 12 0 "[ . 1 . 2]" 1
483 1 39 LEU HG 1 40 ALA H 5.000 . 5.000 4.020 3.650 4.253 . 0 0 "[ . 1 . 2]" 1
484 1 40 ALA H 1 40 ALA MB 3.500 . 3.500 2.249 2.185 2.295 . 0 0 "[ . 1 . 2]" 1
485 1 40 ALA H 1 41 GLN H 3.500 . 3.500 2.499 2.404 2.598 . 0 0 "[ . 1 . 2]" 1
486 1 40 ALA HA 1 41 GLN H 4.000 . 4.000 3.570 3.526 3.606 . 0 0 "[ . 1 . 2]" 1
487 1 40 ALA HA 1 43 LEU H 4.500 . 4.500 4.371 3.960 4.510 0.010 10 0 "[ . 1 . 2]" 1
488 1 40 ALA HA 1 44 GLY H 5.000 . 5.000 3.750 3.453 3.939 . 0 0 "[ . 1 . 2]" 1
489 1 40 ALA HA 1 45 LEU H 4.500 . 4.500 2.553 2.149 2.798 . 0 0 "[ . 1 . 2]" 1
490 1 40 ALA HA 1 46 ASN H 6.000 . 6.000 4.289 4.022 4.692 . 0 0 "[ . 1 . 2]" 1
491 1 40 ALA MB 1 41 GLN H 3.500 . 3.500 2.878 2.721 2.971 . 0 0 "[ . 1 . 2]" 1
492 1 40 ALA MB 1 42 GLU H 4.500 . 4.500 4.501 4.373 4.565 0.065 2 0 "[ . 1 . 2]" 1
493 1 40 ALA MB 1 44 GLY H 5.000 . 5.000 4.859 4.632 5.005 0.005 13 0 "[ . 1 . 2]" 1
494 1 41 GLN H 1 41 GLN QB 3.000 . 3.000 2.294 2.171 2.489 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLN H 1 41 GLN HG2 5.000 . 5.000 3.988 2.442 4.531 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLN H 1 41 GLN HG3 4.500 . 4.500 3.570 2.424 4.578 0.078 20 0 "[ . 1 . 2]" 1
497 1 41 GLN H 1 42 GLU H 3.500 . 3.500 2.372 2.237 2.488 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLN HA 1 44 GLY H 5.000 . 5.000 4.354 4.102 4.528 . 0 0 "[ . 1 . 2]" 1
499 1 42 GLU H 1 42 GLU HA 3.000 . 3.000 2.821 2.767 2.896 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLU H 1 42 GLU HB2 4.000 . 4.000 2.481 2.361 2.777 . 0 0 "[ . 1 . 2]" 1
501 1 42 GLU H 1 42 GLU HB3 4.000 . 4.000 3.083 2.433 3.718 . 0 0 "[ . 1 . 2]" 1
502 1 42 GLU H 1 42 GLU HG2 4.500 . 4.500 3.419 2.100 4.508 0.008 8 0 "[ . 1 . 2]" 1
503 1 42 GLU H 1 43 LEU H 3.500 . 3.500 2.764 2.454 3.053 . 0 0 "[ . 1 . 2]" 1
504 1 42 GLU H 1 44 GLY H 5.000 . 5.000 3.429 3.239 3.767 . 0 0 "[ . 1 . 2]" 1
505 1 42 GLU HA 1 43 LEU H 4.500 . 4.500 3.565 3.545 3.584 . 0 0 "[ . 1 . 2]" 1
506 1 42 GLU HA 1 44 GLY H 5.000 . 5.000 4.250 3.985 4.431 . 0 0 "[ . 1 . 2]" 1
507 1 42 GLU HA 1 45 LEU H 6.000 . 6.000 6.101 6.067 6.125 0.125 12 0 "[ . 1 . 2]" 1
508 1 42 GLU HB2 1 43 LEU H 4.000 . 4.000 2.919 2.017 3.596 . 0 0 "[ . 1 . 2]" 1
509 1 42 GLU HB3 1 43 LEU H 4.000 . 4.000 2.705 1.955 3.758 . 0 0 "[ . 1 . 2]" 1
510 1 42 GLU HB3 1 44 GLY H 5.000 . 5.000 4.592 3.913 5.355 0.355 12 0 "[ . 1 . 2]" 1
511 1 42 GLU HG2 1 43 LEU H 5.000 . 5.000 3.739 3.205 4.440 . 0 0 "[ . 1 . 2]" 1
512 1 42 GLU HG2 1 44 GLY H 5.500 . 5.500 5.363 5.096 5.564 0.064 16 0 "[ . 1 . 2]" 1
513 1 43 LEU H 1 43 LEU MD1 5.500 . 5.500 3.448 3.339 3.571 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU H 1 43 LEU MD2 5.500 . 5.500 3.273 3.030 3.513 . 0 0 "[ . 1 . 2]" 1
515 1 43 LEU H 1 43 LEU HG 5.000 . 5.000 2.055 1.890 2.184 . 0 0 "[ . 1 . 2]" 1
516 1 43 LEU H 1 44 GLY H 3.500 . 3.500 2.281 2.187 2.492 . 0 0 "[ . 1 . 2]" 1
517 1 43 LEU H 1 45 LEU H 5.500 . 5.500 3.717 3.517 3.908 . 0 0 "[ . 1 . 2]" 1
518 1 43 LEU HA 1 44 GLY H 4.000 . 4.000 3.452 3.420 3.475 . 0 0 "[ . 1 . 2]" 1
519 1 43 LEU HA 1 45 LEU H 5.500 . 5.500 5.023 4.810 5.178 . 0 0 "[ . 1 . 2]" 1
520 1 43 LEU HB2 1 44 GLY H 4.500 . 4.500 2.746 2.661 2.796 . 0 0 "[ . 1 . 2]" 1
521 1 43 LEU HB2 1 45 LEU H 5.500 . 5.500 3.036 2.705 3.277 . 0 0 "[ . 1 . 2]" 1
522 1 43 LEU HB2 1 45 LEU MD1 6.000 . 6.000 2.535 2.123 2.865 . 0 0 "[ . 1 . 2]" 1
523 1 43 LEU HB3 1 44 GLY H 4.500 . 4.500 3.891 3.799 3.953 . 0 0 "[ . 1 . 2]" 1
524 1 43 LEU HB3 1 45 LEU H 5.500 . 5.500 4.429 4.086 4.679 . 0 0 "[ . 1 . 2]" 1
525 1 43 LEU HB3 1 45 LEU MD1 6.000 . 6.000 3.108 2.740 3.422 . 0 0 "[ . 1 . 2]" 1
526 1 43 LEU MD1 1 44 GLY H 4.500 . 4.500 4.521 4.502 4.545 0.045 17 0 "[ . 1 . 2]" 1
527 1 43 LEU MD1 1 45 LEU H 6.000 . 6.000 4.568 4.339 4.760 . 0 0 "[ . 1 . 2]" 1
528 1 43 LEU MD1 1 45 LEU MD1 5.500 . 5.500 1.956 1.897 2.036 . 0 0 "[ . 1 . 2]" 1
529 1 43 LEU MD2 1 44 GLY H 5.000 . 5.000 4.643 4.574 4.712 . 0 0 "[ . 1 . 2]" 1
530 1 43 LEU HG 1 44 GLY H 4.000 . 4.000 4.042 4.014 4.080 0.080 13 0 "[ . 1 . 2]" 1
531 1 43 LEU HG 1 45 LEU MD1 5.500 . 5.500 3.820 3.494 4.012 . 0 0 "[ . 1 . 2]" 1
532 1 44 GLY H 1 45 LEU H 4.500 . 4.500 2.052 1.908 2.190 . 0 0 "[ . 1 . 2]" 1
533 1 44 GLY H 1 45 LEU QB 5.500 . 5.500 4.037 3.726 4.233 . 0 0 "[ . 1 . 2]" 1
534 1 44 GLY QA 1 45 LEU H 4.500 . 4.500 2.648 2.564 2.711 . 0 0 "[ . 1 . 2]" 1
535 1 45 LEU H 1 45 LEU HG 5.500 . 5.500 2.864 2.641 3.126 . 0 0 "[ . 1 . 2]" 1
536 1 45 LEU H 1 46 ASN H 5.000 . 5.000 4.389 4.283 4.504 . 0 0 "[ . 1 . 2]" 1
537 1 45 LEU HA 1 46 ASN H 5.000 . 5.000 2.781 2.655 2.902 . 0 0 "[ . 1 . 2]" 1
538 1 45 LEU HB2 1 46 ASN H 5.000 . 5.000 3.082 2.829 3.354 . 0 0 "[ . 1 . 2]" 1
539 1 45 LEU HB3 1 46 ASN H 5.500 . 5.500 1.874 1.785 2.002 0.015 17 0 "[ . 1 . 2]" 1
540 1 45 LEU HB3 1 47 GLU H 6.000 . 6.000 5.749 5.593 5.835 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU HB3 1 48 SER H 6.000 . 6.000 6.020 6.001 6.040 0.040 9 0 "[ . 1 . 2]" 1
542 1 45 LEU MD1 1 46 ASN H 5.500 . 5.500 4.094 3.922 4.271 . 0 0 "[ . 1 . 2]" 1
543 1 45 LEU MD1 1 49 GLN HB2 6.000 . 6.000 3.354 2.549 3.925 . 0 0 "[ . 1 . 2]" 1
544 1 45 LEU MD1 1 50 ILE MG 6.000 . 6.000 3.500 3.007 3.765 . 0 0 "[ . 1 . 2]" 1
545 1 45 LEU MD2 1 46 ASN H 5.500 . 5.500 3.358 3.013 3.567 . 0 0 "[ . 1 . 2]" 1
546 1 45 LEU MD2 1 49 GLN HB2 6.000 . 6.000 2.990 2.546 3.332 . 0 0 "[ . 1 . 2]" 1
547 1 45 LEU MD2 1 50 ILE MG 6.000 . 6.000 5.247 4.629 5.496 . 0 0 "[ . 1 . 2]" 1
548 1 45 LEU HG 1 46 ASN H 5.000 . 5.000 4.578 4.468 4.699 . 0 0 "[ . 1 . 2]" 1
549 1 46 ASN H 1 46 ASN HB2 4.000 . 4.000 2.629 2.542 2.726 . 0 0 "[ . 1 . 2]" 1
550 1 46 ASN H 1 46 ASN HB3 4.000 . 4.000 3.769 3.725 3.833 . 0 0 "[ . 1 . 2]" 1
551 1 46 ASN H 1 47 GLU H 5.000 . 5.000 4.343 4.266 4.421 . 0 0 "[ . 1 . 2]" 1
552 1 46 ASN H 1 49 GLN H 6.000 . 6.000 3.373 3.150 3.609 . 0 0 "[ . 1 . 2]" 1
553 1 46 ASN H 1 49 GLN HA 5.500 . 5.500 5.228 4.864 5.519 0.019 7 0 "[ . 1 . 2]" 1
554 1 46 ASN H 1 49 GLN HB2 4.000 . 4.000 2.666 2.173 3.245 . 0 0 "[ . 1 . 2]" 1
555 1 46 ASN H 1 49 GLN HB3 5.000 . 5.000 4.089 3.592 4.586 . 0 0 "[ . 1 . 2]" 1
556 1 46 ASN HA 1 47 GLU H 4.000 . 4.000 2.648 2.524 2.778 . 0 0 "[ . 1 . 2]" 1
557 1 46 ASN HA 1 48 SER H 4.500 . 4.500 4.248 4.047 4.408 . 0 0 "[ . 1 . 2]" 1
558 1 46 ASN HB2 1 47 GLU H 4.500 . 4.500 3.222 2.959 3.477 . 0 0 "[ . 1 . 2]" 1
559 1 46 ASN HB2 1 48 SER H 4.500 . 4.500 2.817 2.665 3.081 . 0 0 "[ . 1 . 2]" 1
560 1 46 ASN HB2 1 49 GLN H 4.500 . 4.500 2.498 2.264 3.076 . 0 0 "[ . 1 . 2]" 1
561 1 46 ASN HB3 1 47 GLU H 4.500 . 4.500 2.152 2.008 2.366 . 0 0 "[ . 1 . 2]" 1
562 1 46 ASN HB3 1 48 SER H 5.000 . 5.000 2.601 2.218 2.848 . 0 0 "[ . 1 . 2]" 1
563 1 46 ASN HB3 1 49 GLN H 4.000 . 4.000 3.833 3.584 4.232 0.232 1 0 "[ . 1 . 2]" 1
564 1 47 GLU H 1 47 GLU HG2 4.500 . 4.500 3.001 2.851 3.172 . 0 0 "[ . 1 . 2]" 1
565 1 47 GLU H 1 47 GLU HG3 4.500 . 4.500 2.230 2.094 2.391 . 0 0 "[ . 1 . 2]" 1
566 1 47 GLU H 1 48 SER H 3.500 . 3.500 2.233 2.133 2.341 . 0 0 "[ . 1 . 2]" 1
567 1 47 GLU H 1 49 GLN H 5.000 . 5.000 4.138 3.951 4.344 . 0 0 "[ . 1 . 2]" 1
568 1 47 GLU HA 1 48 SER H 4.000 . 4.000 3.446 3.425 3.477 . 0 0 "[ . 1 . 2]" 1
569 1 47 GLU HA 1 49 GLN H 5.000 . 5.000 4.363 4.153 4.606 . 0 0 "[ . 1 . 2]" 1
570 1 47 GLU HA 1 50 ILE H 5.000 . 5.000 3.893 3.581 4.191 . 0 0 "[ . 1 . 2]" 1
571 1 47 GLU QB 1 48 SER H 4.500 . 4.500 2.540 2.350 2.708 . 0 0 "[ . 1 . 2]" 1
572 1 47 GLU QB 1 49 GLN H 5.500 . 5.500 4.751 4.617 4.878 . 0 0 "[ . 1 . 2]" 1
573 1 47 GLU HG2 1 48 SER H 4.500 . 4.500 4.572 4.557 4.583 0.083 10 0 "[ . 1 . 2]" 1
574 1 47 GLU HG3 1 48 SER H 4.500 . 4.500 3.922 3.760 4.070 . 0 0 "[ . 1 . 2]" 1
575 1 47 GLU O 1 51 LYS H 2.500 . 2.500 2.316 2.201 2.513 0.013 10 0 "[ . 1 . 2]" 1
576 1 48 SER H 1 48 SER QB 3.500 . 3.500 2.364 2.199 2.555 . 0 0 "[ . 1 . 2]" 1
577 1 48 SER H 1 49 GLN H 3.500 . 3.500 2.770 2.606 3.052 . 0 0 "[ . 1 . 2]" 1
578 1 48 SER H 1 49 GLN QG 5.000 . 5.000 4.158 3.819 4.354 . 0 0 "[ . 1 . 2]" 1
579 1 48 SER H 1 50 ILE H 4.500 . 4.500 4.324 4.124 4.501 0.001 5 0 "[ . 1 . 2]" 1
580 1 48 SER H 1 51 LYS H 5.500 . 5.500 4.795 4.691 5.096 . 0 0 "[ . 1 . 2]" 1
581 1 48 SER QB 1 49 GLN H 3.500 . 3.500 2.891 2.676 3.528 0.028 15 0 "[ . 1 . 2]" 1
582 1 49 GLN H 1 49 GLN HA 3.000 . 3.000 2.803 2.776 2.849 . 0 0 "[ . 1 . 2]" 1
583 1 49 GLN H 1 49 GLN HB2 3.500 . 3.500 2.407 2.255 2.637 . 0 0 "[ . 1 . 2]" 1
584 1 49 GLN H 1 49 GLN HB3 3.500 . 3.500 3.530 3.514 3.544 0.044 4 0 "[ . 1 . 2]" 1
585 1 49 GLN H 1 49 GLN QG 3.000 . 3.000 2.219 1.917 2.472 . 0 0 "[ . 1 . 2]" 1
586 1 49 GLN H 1 50 ILE H 3.000 . 3.000 2.555 2.372 2.662 . 0 0 "[ . 1 . 2]" 1
587 1 49 GLN H 1 51 LYS H 4.500 . 4.500 3.873 3.622 4.249 . 0 0 "[ . 1 . 2]" 1
588 1 49 GLN HA 1 50 ILE H 4.000 . 4.000 3.579 3.543 3.609 . 0 0 "[ . 1 . 2]" 1
589 1 49 GLN HA 1 52 ILE H 5.000 . 5.000 4.012 3.757 4.474 . 0 0 "[ . 1 . 2]" 1
590 1 49 GLN HB2 1 50 ILE H 5.000 . 5.000 2.589 2.334 2.832 . 0 0 "[ . 1 . 2]" 1
591 1 49 GLN HB2 1 51 LYS H 5.000 . 5.000 4.784 4.573 5.002 0.002 10 0 "[ . 1 . 2]" 1
592 1 49 GLN HB2 1 53 TRP H 6.000 . 6.000 5.976 5.809 6.048 0.048 4 0 "[ . 1 . 2]" 1
593 1 49 GLN HB3 1 50 ILE H 5.000 . 5.000 3.675 3.380 3.916 . 0 0 "[ . 1 . 2]" 1
594 1 49 GLN HB3 1 53 TRP H 6.000 . 6.000 5.447 5.180 5.842 . 0 0 "[ . 1 . 2]" 1
595 1 50 ILE H 1 50 ILE HA 3.000 . 3.000 2.846 2.822 2.867 . 0 0 "[ . 1 . 2]" 1
596 1 50 ILE H 1 50 ILE HB 3.500 . 3.500 2.642 2.422 2.921 . 0 0 "[ . 1 . 2]" 1
597 1 50 ILE H 1 50 ILE MD 3.500 . 3.500 3.499 3.353 3.534 0.034 3 0 "[ . 1 . 2]" 1
598 1 50 ILE H 1 50 ILE HG12 4.000 . 4.000 3.088 2.686 3.631 . 0 0 "[ . 1 . 2]" 1
599 1 50 ILE H 1 50 ILE HG13 4.000 . 4.000 1.926 1.783 2.272 0.017 10 0 "[ . 1 . 2]" 1
600 1 50 ILE H 1 50 ILE MG 4.500 . 4.500 3.740 3.713 3.790 . 0 0 "[ . 1 . 2]" 1
601 1 50 ILE H 1 51 LYS H 3.500 . 3.500 2.420 2.296 2.624 . 0 0 "[ . 1 . 2]" 1
602 1 50 ILE H 1 52 ILE H 5.500 . 5.500 4.293 4.109 4.485 . 0 0 "[ . 1 . 2]" 1
603 1 50 ILE H 1 53 TRP H 5.000 . 5.000 4.728 4.566 4.861 . 0 0 "[ . 1 . 2]" 1
604 1 50 ILE HA 1 51 LYS H 4.500 . 4.500 3.516 3.448 3.620 . 0 0 "[ . 1 . 2]" 1
605 1 50 ILE HA 1 54 PHE QD 6.000 . 6.000 4.143 3.445 4.877 . 0 0 "[ . 1 . 2]" 1
606 1 50 ILE HB 1 54 PHE QD 5.000 . 5.000 4.116 3.504 4.547 . 0 0 "[ . 1 . 2]" 1
607 1 50 ILE HB 1 54 PHE QE 5.000 . 5.000 4.376 2.652 5.040 0.040 8 0 "[ . 1 . 2]" 1
608 1 50 ILE MD 1 51 LYS H 5.000 . 5.000 4.855 4.622 5.008 0.008 12 0 "[ . 1 . 2]" 1
609 1 50 ILE MD 1 54 PHE QD 5.000 . 5.000 5.015 4.819 5.060 0.060 16 0 "[ . 1 . 2]" 1
610 1 50 ILE HG12 1 51 LYS H 5.000 . 5.000 5.004 4.782 5.308 0.308 20 0 "[ . 1 . 2]" 1
611 1 50 ILE MG 1 51 LYS H 5.000 . 5.000 4.114 3.794 4.293 . 0 0 "[ . 1 . 2]" 1
612 1 50 ILE MG 1 54 PHE QD 5.000 . 5.000 2.386 2.028 3.354 . 0 0 "[ . 1 . 2]" 1
613 1 50 ILE O 1 54 PHE H 2.500 . 2.500 2.151 2.028 2.340 . 0 0 "[ . 1 . 2]" 1
614 1 51 LYS H 1 51 LYS HB2 3.500 . 3.500 2.357 2.151 3.545 0.045 20 0 "[ . 1 . 2]" 1
615 1 51 LYS H 1 51 LYS HB3 3.500 . 3.500 2.862 2.524 3.542 0.042 10 0 "[ . 1 . 2]" 1
616 1 51 LYS H 1 51 LYS QD 5.000 . 5.000 4.263 3.578 4.790 . 0 0 "[ . 1 . 2]" 1
617 1 51 LYS H 1 51 LYS QG 5.000 . 5.000 3.453 1.951 4.040 . 0 0 "[ . 1 . 2]" 1
618 1 51 LYS HA 1 52 ILE H 4.000 . 4.000 3.573 3.539 3.626 . 0 0 "[ . 1 . 2]" 1
619 1 51 LYS HB2 1 52 ILE H 4.000 . 4.000 3.337 2.525 3.570 . 0 0 "[ . 1 . 2]" 1
620 1 51 LYS HB3 1 52 ILE H 3.500 . 3.500 2.731 2.197 4.005 0.505 20 1 "[ . 1 . +]" 1
621 1 52 ILE H 1 52 ILE HB 3.000 . 3.000 2.118 2.078 2.155 . 0 0 "[ . 1 . 2]" 1
622 1 52 ILE H 1 52 ILE MD 4.500 . 4.500 3.402 3.312 3.471 . 0 0 "[ . 1 . 2]" 1
623 1 52 ILE H 1 52 ILE HG12 3.500 . 3.500 3.497 3.441 3.528 0.028 3 0 "[ . 1 . 2]" 1
624 1 52 ILE H 1 52 ILE HG13 3.500 . 3.500 2.205 2.102 2.263 . 0 0 "[ . 1 . 2]" 1
625 1 52 ILE H 1 52 ILE MG 3.500 . 3.500 3.581 3.557 3.598 0.098 7 0 "[ . 1 . 2]" 1
626 1 52 ILE H 1 53 TRP H 4.000 . 4.000 2.628 2.483 2.704 . 0 0 "[ . 1 . 2]" 1
627 1 52 ILE H 1 54 PHE H 5.500 . 5.500 4.306 3.919 4.659 . 0 0 "[ . 1 . 2]" 1
628 1 52 ILE HA 1 53 TRP H 3.500 . 3.500 3.539 3.529 3.549 0.049 19 0 "[ . 1 . 2]" 1
629 1 52 ILE HA 1 56 ASN H 4.500 . 4.500 4.507 4.329 4.529 0.029 3 0 "[ . 1 . 2]" 1
630 1 52 ILE HB 1 53 TRP H 3.500 . 3.500 2.527 2.407 2.632 . 0 0 "[ . 1 . 2]" 1
631 1 52 ILE MD 1 53 TRP H 5.000 . 5.000 4.553 4.426 4.671 . 0 0 "[ . 1 . 2]" 1
632 1 52 ILE HG12 1 53 TRP H 6.000 . 6.000 5.000 4.946 5.022 . 0 0 "[ . 1 . 2]" 1
633 1 52 ILE HG13 1 53 TRP H 5.000 . 5.000 4.395 4.281 4.481 . 0 0 "[ . 1 . 2]" 1
634 1 52 ILE MG 1 53 TRP H . . 3.000 3.028 3.015 3.047 0.047 3 0 "[ . 1 . 2]" 1
635 1 52 ILE MG 1 54 PHE H 5.000 . 5.000 4.968 4.824 5.017 0.017 19 0 "[ . 1 . 2]" 1
636 1 52 ILE MG 1 56 ASN H 5.000 . 5.000 4.370 4.242 4.489 . 0 0 "[ . 1 . 2]" 1
637 1 52 ILE MG 1 56 ASN HD21 4.500 . 4.500 3.328 2.912 4.509 0.009 5 0 "[ . 1 . 2]" 1
638 1 52 ILE MG 1 56 ASN HD22 4.000 . 4.000 2.415 2.190 3.255 . 0 0 "[ . 1 . 2]" 1
639 1 52 ILE O 1 56 ASN H 2.500 . 2.500 2.326 2.254 2.408 . 0 0 "[ . 1 . 2]" 1
640 1 53 TRP H 1 53 TRP HA 3.000 . 3.000 2.751 2.700 2.794 . 0 0 "[ . 1 . 2]" 1
641 1 53 TRP H 1 53 TRP HB2 3.500 . 3.500 2.367 2.274 2.446 . 0 0 "[ . 1 . 2]" 1
642 1 53 TRP H 1 53 TRP HB3 3.500 . 3.500 2.658 2.504 2.743 . 0 0 "[ . 1 . 2]" 1
643 1 53 TRP H 1 54 PHE H 3.500 . 3.500 2.919 2.812 3.053 . 0 0 "[ . 1 . 2]" 1
644 1 53 TRP HA 1 53 TRP HD1 4.500 . 4.500 3.351 3.166 3.491 . 0 0 "[ . 1 . 2]" 1
645 1 53 TRP HA 1 54 PHE H 4.000 . 4.000 3.632 3.602 3.651 . 0 0 "[ . 1 . 2]" 1
646 1 53 TRP HA 1 56 ASN H 4.000 . 4.000 3.556 3.390 3.864 . 0 0 "[ . 1 . 2]" 1
647 1 53 TRP HA 1 57 LYS H 4.500 . 4.500 4.431 4.132 4.551 0.051 2 0 "[ . 1 . 2]" 1
648 1 53 TRP HB2 1 54 PHE H 4.000 . 4.000 3.983 3.849 4.165 0.165 14 0 "[ . 1 . 2]" 1
649 1 53 TRP HE3 1 54 PHE HA 5.000 . 5.000 2.699 2.345 3.144 . 0 0 "[ . 1 . 2]" 1
650 1 53 TRP HE3 1 54 PHE QD 6.000 . 6.000 2.664 2.153 3.433 . 0 0 "[ . 1 . 2]" 1
651 1 53 TRP HE3 1 54 PHE QE 6.000 . 6.000 3.416 3.127 3.736 . 0 0 "[ . 1 . 2]" 1
652 1 54 PHE H 1 54 PHE HA 3.000 . 3.000 2.839 2.822 2.861 . 0 0 "[ . 1 . 2]" 1
653 1 54 PHE H 1 54 PHE HB2 3.500 . 3.500 2.223 2.147 2.338 . 0 0 "[ . 1 . 2]" 1
654 1 54 PHE H 1 54 PHE HB3 3.500 . 3.500 3.507 3.436 3.546 0.046 18 0 "[ . 1 . 2]" 1
655 1 54 PHE H 1 55 GLN H 3.500 . 3.500 2.591 2.471 2.698 . 0 0 "[ . 1 . 2]" 1
656 1 54 PHE HA 1 54 PHE QE 5.500 . 5.500 4.379 4.258 4.503 . 0 0 "[ . 1 . 2]" 1
657 1 54 PHE HA 1 55 GLN H 4.000 . 4.000 3.588 3.536 3.636 . 0 0 "[ . 1 . 2]" 1
658 1 54 PHE HA 1 57 LYS H 4.000 . 4.000 3.357 3.086 3.542 . 0 0 "[ . 1 . 2]" 1
659 1 54 PHE HA 1 57 LYS HB2 4.500 . 4.500 2.752 2.360 2.933 . 0 0 "[ . 1 . 2]" 1
660 1 54 PHE HA 1 57 LYS HB3 4.500 . 4.500 4.374 3.778 4.527 0.027 14 0 "[ . 1 . 2]" 1
661 1 54 PHE HB2 1 55 GLN H 4.500 . 4.500 3.159 2.820 3.370 . 0 0 "[ . 1 . 2]" 1
662 1 54 PHE HB3 1 55 GLN H 4.500 . 4.500 3.663 3.212 3.885 . 0 0 "[ . 1 . 2]" 1
663 1 55 GLN H 1 55 GLN HB2 3.500 . 3.500 2.299 2.210 2.453 . 0 0 "[ . 1 . 2]" 1
664 1 55 GLN H 1 55 GLN HB3 3.500 . 3.500 3.533 3.517 3.551 0.051 11 0 "[ . 1 . 2]" 1
665 1 55 GLN H 1 55 GLN QG 3.500 . 3.500 2.498 2.181 2.827 . 0 0 "[ . 1 . 2]" 1
666 1 55 GLN H 1 56 ASN H 4.000 . 4.000 2.533 2.397 2.649 . 0 0 "[ . 1 . 2]" 1
667 1 55 GLN H 1 57 LYS H 6.000 . 6.000 4.182 3.939 4.369 . 0 0 "[ . 1 . 2]" 1
668 1 55 GLN HA 1 56 ASN H 3.500 . 3.500 3.522 3.503 3.542 0.042 19 0 "[ . 1 . 2]" 1
669 1 55 GLN HA 1 58 ARG H 4.500 . 4.500 3.430 2.922 4.006 . 0 0 "[ . 1 . 2]" 1
670 1 55 GLN HB2 1 56 ASN H 4.500 . 4.500 3.089 2.708 3.313 . 0 0 "[ . 1 . 2]" 1
671 1 55 GLN HB3 1 56 ASN H 4.500 . 4.500 3.927 3.719 4.087 . 0 0 "[ . 1 . 2]" 1
672 1 55 GLN QG 1 56 ASN H 5.000 . 5.000 4.414 4.186 4.587 . 0 0 "[ . 1 . 2]" 1
673 1 56 ASN H 1 56 ASN HA 3.000 . 3.000 2.838 2.805 2.865 . 0 0 "[ . 1 . 2]" 1
674 1 56 ASN H 1 56 ASN HB2 3.500 . 3.500 2.340 2.275 2.463 . 0 0 "[ . 1 . 2]" 1
675 1 56 ASN H 1 56 ASN HB3 3.500 . 3.500 3.542 3.525 3.568 0.068 5 0 "[ . 1 . 2]" 1
676 1 56 ASN H 1 57 LYS H 3.000 . 3.000 2.480 2.309 2.638 . 0 0 "[ . 1 . 2]" 1
677 1 56 ASN H 1 58 ARG H 5.000 . 5.000 3.904 3.646 4.308 . 0 0 "[ . 1 . 2]" 1
678 1 56 ASN HA 1 57 LYS H 4.000 . 4.000 3.579 3.536 3.622 . 0 0 "[ . 1 . 2]" 1
679 1 56 ASN HA 1 59 ALA H 4.000 . 4.000 3.574 3.153 4.009 0.009 5 0 "[ . 1 . 2]" 1
680 1 56 ASN HB2 1 57 LYS H 3.500 . 3.500 2.522 2.277 2.621 . 0 0 "[ . 1 . 2]" 1
681 1 56 ASN HB3 1 57 LYS H 3.500 . 3.500 3.509 3.344 3.544 0.044 11 0 "[ . 1 . 2]" 1
682 1 57 LYS H 1 57 LYS HA 3.000 . 3.000 2.809 2.765 2.858 . 0 0 "[ . 1 . 2]" 1
683 1 57 LYS H 1 57 LYS HB2 4.000 . 4.000 2.327 2.082 2.648 . 0 0 "[ . 1 . 2]" 1
684 1 57 LYS H 1 57 LYS HB3 4.000 . 4.000 3.547 3.425 3.647 . 0 0 "[ . 1 . 2]" 1
685 1 57 LYS H 1 57 LYS HD2 4.500 . 4.500 3.318 2.544 4.408 . 0 0 "[ . 1 . 2]" 1
686 1 57 LYS H 1 57 LYS QE 5.000 . 5.000 4.368 2.559 5.017 0.017 8 0 "[ . 1 . 2]" 1
687 1 57 LYS H 1 57 LYS QG 4.500 . 4.500 2.856 2.181 3.702 . 0 0 "[ . 1 . 2]" 1
688 1 57 LYS H 1 58 ARG H 3.500 . 3.500 2.671 2.441 2.898 . 0 0 "[ . 1 . 2]" 1
689 1 57 LYS HA 1 58 ARG H 4.000 . 4.000 3.455 3.111 3.612 . 0 0 "[ . 1 . 2]" 1
690 1 57 LYS HA 1 60 LYS H 4.500 . 4.500 3.663 2.600 4.513 0.013 19 0 "[ . 1 . 2]" 1
691 1 57 LYS HB2 1 58 ARG H 5.000 . 5.000 3.104 2.532 3.895 . 0 0 "[ . 1 . 2]" 1
692 1 57 LYS HB3 1 58 ARG H 4.500 . 4.500 3.782 3.306 4.426 . 0 0 "[ . 1 . 2]" 1
693 1 57 LYS HD2 1 58 ARG H 5.000 . 5.000 5.047 4.970 5.106 0.106 15 0 "[ . 1 . 2]" 1
694 1 58 ARG H 1 58 ARG HA 3.000 . 3.000 2.876 2.817 2.952 . 0 0 "[ . 1 . 2]" 1
695 1 58 ARG H 1 58 ARG HB2 4.000 . 4.000 2.417 2.264 2.621 . 0 0 "[ . 1 . 2]" 1
696 1 58 ARG H 1 58 ARG HB3 3.500 . 3.500 3.632 3.539 3.749 0.249 11 0 "[ . 1 . 2]" 1
697 1 58 ARG H 1 58 ARG QD 4.500 . 4.500 4.071 3.450 4.517 0.017 16 0 "[ . 1 . 2]" 1
698 1 58 ARG H 1 58 ARG QG 4.000 . 4.000 2.623 2.324 2.980 . 0 0 "[ . 1 . 2]" 1
699 1 58 ARG H 1 59 ALA H 3.500 . 3.500 2.399 1.875 2.690 . 0 0 "[ . 1 . 2]" 1
700 1 58 ARG HA 1 59 ALA H 3.500 . 3.500 3.502 3.381 3.547 0.047 19 0 "[ . 1 . 2]" 1
701 1 58 ARG HB2 1 58 ARG HE 5.000 . 5.000 3.883 2.225 5.014 0.014 10 0 "[ . 1 . 2]" 1
702 1 58 ARG HB2 1 59 ALA H 4.000 . 4.000 3.037 2.367 3.382 . 0 0 "[ . 1 . 2]" 1
703 1 58 ARG HB3 1 58 ARG HE 5.000 . 5.000 3.662 2.069 4.885 . 0 0 "[ . 1 . 2]" 1
704 1 58 ARG HB3 1 59 ALA H 4.000 . 4.000 3.898 3.321 4.047 0.047 13 0 "[ . 1 . 2]" 1
705 1 59 ALA H 1 59 ALA HA 3.000 . 3.000 2.873 2.839 2.903 . 0 0 "[ . 1 . 2]" 1
706 1 59 ALA H 1 59 ALA MB 3.000 . 3.000 2.280 2.247 2.317 . 0 0 "[ . 1 . 2]" 1
707 1 59 ALA MB 1 60 LYS H 4.000 . 4.000 3.112 1.851 3.804 . 0 0 "[ . 1 . 2]" 1
708 1 59 ALA MB 1 61 ILE H 5.000 . 5.000 4.712 4.279 5.020 0.020 17 0 "[ . 1 . 2]" 1
709 1 60 LYS H 1 60 LYS HA 3.000 . 3.000 2.833 2.682 2.941 . 0 0 "[ . 1 . 2]" 1
710 1 60 LYS H 1 60 LYS QB 3.500 . 3.500 2.421 2.292 2.680 . 0 0 "[ . 1 . 2]" 1
711 1 60 LYS H 1 60 LYS QD 3.500 . 3.500 3.517 3.354 3.647 0.147 11 0 "[ . 1 . 2]" 1
712 1 60 LYS H 1 60 LYS QG 3.500 . 3.500 2.298 1.737 2.662 0.063 11 0 "[ . 1 . 2]" 1
713 1 61 ILE H 1 61 ILE HB 3.000 . 3.000 2.452 2.063 2.945 . 0 0 "[ . 1 . 2]" 1
714 1 61 ILE H 1 61 ILE MD 4.000 . 4.000 3.874 3.495 4.117 0.117 4 0 "[ . 1 . 2]" 1
715 1 61 ILE H 1 61 ILE HG12 4.500 . 4.500 3.889 2.876 4.511 0.011 5 0 "[ . 1 . 2]" 1
716 1 61 ILE H 1 61 ILE HG13 4.500 . 4.500 3.138 1.839 4.530 0.030 8 0 "[ . 1 . 2]" 1
717 1 61 ILE H 1 61 ILE MG 4.500 . 4.500 3.015 1.788 3.950 0.012 8 0 "[ . 1 . 2]" 1
718 1 61 ILE H 1 62 LYS H 4.500 . 4.500 4.069 2.456 4.544 0.044 20 0 "[ . 1 . 2]" 1
719 1 61 ILE HA 1 62 LYS H 3.500 . 3.500 2.682 2.171 3.555 0.055 8 0 "[ . 1 . 2]" 1
720 1 61 ILE HA 1 63 LYS H 5.000 . 5.000 4.599 3.505 5.073 0.073 12 0 "[ . 1 . 2]" 1
721 1 61 ILE MD 1 62 LYS H 5.000 . 5.000 4.284 3.123 5.040 0.040 11 0 "[ . 1 . 2]" 1
722 1 61 ILE MD 1 63 LYS H 5.500 . 5.500 4.941 3.988 5.566 0.066 4 0 "[ . 1 . 2]" 1
723 1 61 ILE MG 1 62 LYS H 3.500 . 3.500 2.627 1.790 3.510 0.010 5 0 "[ . 1 . 2]" 1
724 1 62 LYS H 1 62 LYS HA 3.000 . 3.000 2.894 2.782 2.945 . 0 0 "[ . 1 . 2]" 1
725 1 62 LYS H 1 62 LYS QB 3.500 . 3.500 2.625 2.278 3.231 . 0 0 "[ . 1 . 2]" 1
726 1 62 LYS H 1 62 LYS QD 4.500 . 4.500 3.832 1.801 4.565 0.065 20 0 "[ . 1 . 2]" 1
727 1 62 LYS H 1 62 LYS QG 4.500 . 4.500 2.901 1.904 4.419 . 0 0 "[ . 1 . 2]" 1
728 1 63 LYS H 1 63 LYS HA 3.000 . 3.000 2.906 2.819 2.945 . 0 0 "[ . 1 . 2]" 1
729 1 63 LYS H 1 63 LYS QB 3.500 . 3.500 2.688 2.348 2.990 . 0 0 "[ . 1 . 2]" 1
730 1 63 LYS H 1 63 LYS QD 4.000 . 4.000 3.712 1.786 4.020 0.020 16 0 "[ . 1 . 2]" 1
731 1 63 LYS H 1 63 LYS QG 4.500 . 4.500 2.264 1.798 3.572 0.002 11 0 "[ . 1 . 2]" 1
732 1 63 LYS HA 1 64 ALA H 4.000 . 4.000 2.803 2.296 3.578 . 0 0 "[ . 1 . 2]" 1
733 1 63 LYS HB2 1 64 ALA H 4.000 . 4.000 2.210 1.842 2.958 . 0 0 "[ . 1 . 2]" 1
734 1 63 LYS HB2 1 65 THR H 4.000 . 4.000 3.561 2.605 4.034 0.034 9 0 "[ . 1 . 2]" 1
735 1 64 ALA H 1 64 ALA MB 3.500 . 3.500 2.366 2.240 2.855 . 0 0 "[ . 1 . 2]" 1
736 1 64 ALA MB 1 65 THR H 4.000 . 4.000 2.363 1.887 3.789 . 0 0 "[ . 1 . 2]" 1
737 1 65 THR H 1 65 THR HA 3.000 . 3.000 2.887 2.787 2.949 . 0 0 "[ . 1 . 2]" 1
738 1 65 THR H 1 65 THR HB 3.500 . 3.500 2.687 2.475 3.542 0.042 15 0 "[ . 1 . 2]" 1
739 1 65 THR H 1 65 THR MG 4.500 . 4.500 3.009 1.798 3.855 0.002 18 0 "[ . 1 . 2]" 1
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