NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408418 |
1ywy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ywy
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 836
_Distance_constraint_stats_list.Viol_count 1440
_Distance_constraint_stats_list.Viol_total 1226.336
_Distance_constraint_stats_list.Viol_max 0.231
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_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 SER 0.098 0.026 9 0 "[ . 1 . 2]"
1 3 ILE 0.418 0.098 19 0 "[ . 1 . 2]"
1 4 GLU 2.977 0.184 15 0 "[ . 1 . 2]"
1 5 ILE 0.033 0.011 1 0 "[ . 1 . 2]"
1 6 ASP 0.080 0.023 8 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLN 0.143 0.058 18 0 "[ . 1 . 2]"
1 10 GLY 1.839 0.116 12 0 "[ . 1 . 2]"
1 11 VAL 0.844 0.089 17 0 "[ . 1 . 2]"
1 12 CYS 0.991 0.097 20 0 "[ . 1 . 2]"
1 13 SER 0.548 0.097 20 0 "[ . 1 . 2]"
1 14 VAL 0.603 0.083 2 0 "[ . 1 . 2]"
1 15 GLU 2.181 0.146 20 0 "[ . 1 . 2]"
1 16 ILE 2.432 0.146 20 0 "[ . 1 . 2]"
1 17 GLU 0.127 0.025 19 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.456 0.037 18 0 "[ . 1 . 2]"
1 20 ARG 0.678 0.120 18 0 "[ . 1 . 2]"
1 21 HIS 1.007 0.120 18 0 "[ . 1 . 2]"
1 22 ARG 0.090 0.023 4 0 "[ . 1 . 2]"
1 23 ALA 0.077 0.023 4 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 0.568 0.045 19 0 "[ . 1 . 2]"
1 26 ASP 7.157 0.202 19 0 "[ . 1 . 2]"
1 27 SER 0.374 0.101 12 0 "[ . 1 . 2]"
1 28 LEU 3.232 0.132 10 0 "[ . 1 . 2]"
1 29 ARG 0.744 0.055 20 0 "[ . 1 . 2]"
1 30 ILE 0.727 0.055 20 0 "[ . 1 . 2]"
1 31 GLY 0.231 0.025 4 0 "[ . 1 . 2]"
1 32 THR 0.151 0.052 19 0 "[ . 1 . 2]"
1 33 ASP 0.171 0.052 19 0 "[ . 1 . 2]"
1 34 ALA 0.981 0.071 2 0 "[ . 1 . 2]"
1 35 GLU 0.981 0.071 2 0 "[ . 1 . 2]"
1 36 ALA 0.614 0.033 18 0 "[ . 1 . 2]"
1 37 ARG 0.681 0.090 19 0 "[ . 1 . 2]"
1 38 LEU 1.333 0.093 13 0 "[ . 1 . 2]"
1 39 SER 0.577 0.034 18 0 "[ . 1 . 2]"
1 40 VAL 0.988 0.086 5 0 "[ . 1 . 2]"
1 41 LEU 0.841 0.111 6 0 "[ . 1 . 2]"
1 42 TYR 0.827 0.111 6 0 "[ . 1 . 2]"
1 43 ILE 0.321 0.080 1 0 "[ . 1 . 2]"
1 44 ASP 0.508 0.057 3 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.515 0.076 16 0 "[ . 1 . 2]"
1 47 ARG 0.631 0.076 16 0 "[ . 1 . 2]"
1 48 LEU 0.830 0.054 14 0 "[ . 1 . 2]"
1 49 HIS 0.802 0.057 20 0 "[ . 1 . 2]"
1 50 ILE 0.270 0.057 20 0 "[ . 1 . 2]"
1 51 SER 0.966 0.158 16 0 "[ . 1 . 2]"
1 52 GLU 0.142 0.031 14 0 "[ . 1 . 2]"
1 53 GLU 0.471 0.045 11 0 "[ . 1 . 2]"
1 54 ASP 0.481 0.050 9 0 "[ . 1 . 2]"
1 55 ALA 0.150 0.031 14 0 "[ . 1 . 2]"
1 56 GLN 0.365 0.050 9 0 "[ . 1 . 2]"
1 57 ARG 1.141 0.063 20 0 "[ . 1 . 2]"
1 58 LEU 0.145 0.027 6 0 "[ . 1 . 2]"
1 59 VAL 5.441 0.195 6 0 "[ . 1 . 2]"
1 60 VAL 4.706 0.145 17 0 "[ . 1 . 2]"
1 61 ALA 4.612 0.145 17 0 "[ . 1 . 2]"
1 62 GLY 1.372 0.061 16 0 "[ . 1 . 2]"
1 63 ALA 1.100 0.088 9 0 "[ . 1 . 2]"
1 64 GLU 8.974 0.126 16 0 "[ . 1 . 2]"
1 65 ASP 0.950 0.061 6 0 "[ . 1 . 2]"
1 66 GLN 6.521 0.111 15 0 "[ . 1 . 2]"
1 67 ARG 3.297 0.231 13 0 "[ . 1 . 2]"
1 68 ARG 0.610 0.080 4 0 "[ . 1 . 2]"
1 69 HIS 0.024 0.013 13 0 "[ . 1 . 2]"
1 70 LEU 0.128 0.039 18 0 "[ . 1 . 2]"
1 71 MET 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 2 SER H 1 3 ILE H . . 4.880 4.361 4.012 4.631 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 16 ILE H . . 6.000 5.948 5.568 6.018 0.018 14 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 ILE H . . 2.580 2.249 2.216 2.313 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 3 ILE MG . . 5.980 3.610 3.196 4.080 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 51 SER H . . 3.840 3.736 3.489 3.866 0.026 9 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 51 SER QB . . 4.430 3.655 3.552 4.003 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER QB 1 15 GLU H . . 6.440 4.776 3.876 5.331 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER QB 1 15 GLU HB2 . . 6.880 4.378 3.239 5.984 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER QB 1 15 GLU HB3 . . 6.880 4.927 4.016 6.105 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER QB 1 51 SER QB . . 7.760 4.288 3.665 4.911 . 0 0 "[ . 1 . 2]" 1
11 1 3 ILE H 1 3 ILE HB . . 3.550 3.552 3.512 3.648 0.098 19 0 "[ . 1 . 2]" 1
12 1 3 ILE H 1 3 ILE MD . . 5.480 3.579 1.906 3.914 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE H 1 3 ILE QG . . 4.470 2.206 1.912 3.471 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE HA 1 4 GLU H . . 2.940 2.249 2.186 2.276 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE HA 1 14 VAL HA . . 3.370 2.146 1.985 2.469 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE HA 1 15 GLU H . . 3.800 3.047 2.582 3.549 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE HB 1 41 LEU HG . . 4.060 4.022 3.802 4.092 0.032 20 0 "[ . 1 . 2]" 1
18 1 3 ILE HB 1 50 ILE QG . . 6.380 5.658 5.458 5.747 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE MD 1 54 ASP QB . . 6.140 2.750 1.903 4.500 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE MD 1 57 ARG HB3 . . 5.730 3.652 2.950 4.129 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE QG 1 41 LEU QD . . 7.570 4.202 3.236 4.747 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE MG 1 4 GLU H . . 5.260 4.022 3.786 4.346 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU H 1 4 GLU HB2 . . 3.340 2.556 2.380 2.648 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU H 1 4 GLU HB3 . . 3.660 2.982 2.813 3.249 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU H 1 4 GLU HG2 . . 4.960 4.558 4.368 4.876 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU H 1 4 GLU QG . . 4.810 4.088 3.955 4.294 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU H 1 4 GLU HG3 . . 4.960 4.629 4.516 4.767 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU H 1 5 ILE H . . 4.630 4.522 4.465 4.577 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU H 1 13 SER H . . 4.270 3.494 3.088 3.885 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLU H 1 15 GLU QB . . 6.880 5.214 4.920 5.617 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU HA 1 4 GLU HB2 . . 3.050 2.733 2.666 2.830 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU HA 1 4 GLU HG2 . . 3.980 2.661 2.006 3.599 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU HA 1 4 GLU HG3 . . 3.980 2.979 2.658 3.145 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLU HB2 1 4 GLU HG2 . . 2.870 2.706 2.431 2.884 0.014 4 0 "[ . 1 . 2]" 1
35 1 4 GLU HB2 1 4 GLU QG . . 2.500 2.252 2.186 2.357 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU HB2 1 4 GLU HG3 . . 2.870 2.580 2.265 3.054 0.184 15 0 "[ . 1 . 2]" 1
37 1 4 GLU HB2 1 5 ILE H . . 4.090 4.074 4.034 4.101 0.011 1 0 "[ . 1 . 2]" 1
38 1 4 GLU HB2 1 13 SER H . . 5.930 4.279 3.774 4.786 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLU HB2 1 13 SER HB2 . . 6.000 4.972 3.725 5.943 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLU HB2 1 13 SER QB . . 5.880 4.204 3.571 5.303 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLU HB2 1 13 SER HB3 . . 6.000 4.783 3.662 6.003 0.003 8 0 "[ . 1 . 2]" 1
42 1 4 GLU HB3 1 4 GLU HG2 . . 2.830 2.740 2.505 2.896 0.066 14 0 "[ . 1 . 2]" 1
43 1 4 GLU HB3 1 4 GLU QG . . 2.620 2.425 2.205 2.572 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLU HB3 1 4 GLU HG3 . . 2.830 2.706 2.431 2.884 0.054 4 0 "[ . 1 . 2]" 1
45 1 4 GLU HB3 1 5 ILE H . . 3.340 3.145 2.937 3.343 0.003 17 0 "[ . 1 . 2]" 1
46 1 4 GLU HB3 1 13 SER H . . 4.060 3.029 2.498 3.748 . 0 0 "[ . 1 . 2]" 1
47 1 4 GLU HB3 1 13 SER HB2 . . 6.000 3.994 2.562 4.971 . 0 0 "[ . 1 . 2]" 1
48 1 4 GLU HB3 1 13 SER QB . . 5.790 3.273 2.390 4.292 . 0 0 "[ . 1 . 2]" 1
49 1 4 GLU HB3 1 13 SER HB3 . . 6.000 3.836 2.405 4.693 . 0 0 "[ . 1 . 2]" 1
50 1 4 GLU HB3 1 14 VAL H . . 5.390 5.331 5.146 5.402 0.012 10 0 "[ . 1 . 2]" 1
51 1 4 GLU QG 1 5 ILE H . . 4.810 2.233 1.974 2.495 . 0 0 "[ . 1 . 2]" 1
52 1 4 GLU HG2 1 5 ILE H . . 4.960 2.907 2.039 4.004 . 0 0 "[ . 1 . 2]" 1
53 1 4 GLU HG3 1 5 ILE H . . 4.960 3.181 1.983 3.999 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE H 1 5 ILE HB . . 4.090 2.937 2.531 3.792 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE H 1 6 ASP H . . 5.420 4.369 4.236 4.472 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE HA 1 5 ILE MD . . 4.330 2.435 1.933 3.536 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE HA 1 6 ASP H . . 2.400 2.289 2.195 2.393 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE HA 1 12 CYS HA . . 3.190 2.460 1.999 2.865 . 0 0 "[ . 1 . 2]" 1
59 1 5 ILE HA 1 13 SER H . . 4.450 3.234 2.598 3.726 . 0 0 "[ . 1 . 2]" 1
60 1 5 ILE MD 1 6 ASP H . . 4.180 2.790 1.851 3.463 . 0 0 "[ . 1 . 2]" 1
61 1 5 ILE MD 1 12 CYS HA . . 6.520 3.454 2.495 5.129 . 0 0 "[ . 1 . 2]" 1
62 1 5 ILE MD 1 13 SER H . . 7.030 4.533 3.131 5.747 . 0 0 "[ . 1 . 2]" 1
63 1 5 ILE MD 1 58 LEU HA . . 7.030 3.666 2.149 5.418 . 0 0 "[ . 1 . 2]" 1
64 1 5 ILE MG 1 6 ASP H . . 4.290 2.931 1.913 3.649 . 0 0 "[ . 1 . 2]" 1
65 1 5 ILE MG 1 58 LEU HA . . 7.030 4.363 1.962 5.821 . 0 0 "[ . 1 . 2]" 1
66 1 5 ILE MG 1 61 ALA MB . . 5.750 2.449 1.842 3.737 . 0 0 "[ . 1 . 2]" 1
67 1 6 ASP H 1 6 ASP HB2 . . 3.950 2.597 2.398 2.800 . 0 0 "[ . 1 . 2]" 1
68 1 6 ASP H 1 6 ASP QB . . 3.620 2.460 2.341 2.556 . 0 0 "[ . 1 . 2]" 1
69 1 6 ASP H 1 6 ASP HB3 . . 3.950 3.104 2.908 3.353 . 0 0 "[ . 1 . 2]" 1
70 1 6 ASP H 1 11 VAL H . . 4.780 3.662 3.028 4.311 . 0 0 "[ . 1 . 2]" 1
71 1 6 ASP H 1 11 VAL QG . . 7.830 4.331 3.608 4.812 . 0 0 "[ . 1 . 2]" 1
72 1 6 ASP H 1 12 CYS HA . . 4.130 2.833 2.640 3.000 . 0 0 "[ . 1 . 2]" 1
73 1 6 ASP H 1 13 SER H . . 4.560 4.490 3.996 4.583 0.023 8 0 "[ . 1 . 2]" 1
74 1 6 ASP QB 1 10 GLY QA . . 5.590 4.050 3.740 4.274 . 0 0 "[ . 1 . 2]" 1
75 1 6 ASP QB 1 11 VAL H . . 5.150 2.080 1.938 2.367 . 0 0 "[ . 1 . 2]" 1
76 1 6 ASP QB 1 11 VAL HB . . 5.500 2.841 2.617 3.303 . 0 0 "[ . 1 . 2]" 1
77 1 6 ASP QB 1 11 VAL QG . . 7.210 2.960 1.922 3.401 . 0 0 "[ . 1 . 2]" 1
78 1 6 ASP QB 1 25 VAL H . . 6.880 6.138 6.030 6.189 . 0 0 "[ . 1 . 2]" 1
79 1 6 ASP HB2 1 11 VAL HB . . 6.000 3.550 3.162 3.996 . 0 0 "[ . 1 . 2]" 1
80 1 6 ASP HB2 1 11 VAL MG1 . . 8.780 3.344 1.978 4.109 . 0 0 "[ . 1 . 2]" 1
81 1 6 ASP HB2 1 11 VAL MG2 . . 8.780 4.889 4.634 5.201 . 0 0 "[ . 1 . 2]" 1
82 1 6 ASP HB3 1 11 VAL HB . . 6.000 3.001 2.723 3.521 . 0 0 "[ . 1 . 2]" 1
83 1 6 ASP HB3 1 11 VAL MG1 . . 8.780 3.753 2.636 4.198 . 0 0 "[ . 1 . 2]" 1
84 1 6 ASP HB3 1 11 VAL MG2 . . 8.780 4.290 3.878 4.787 . 0 0 "[ . 1 . 2]" 1
85 1 8 GLU H 1 9 GLN H . . 3.700 2.880 2.586 2.947 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLU QB 1 9 GLN H . . 4.460 2.589 2.430 3.400 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLU QB 1 9 GLN QB . . 6.280 3.799 3.574 4.553 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLU QB 1 9 GLN QG . . 7.580 3.380 3.216 3.731 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLU QG 1 9 GLN H . . 5.510 4.216 1.952 4.461 . 0 0 "[ . 1 . 2]" 1
90 1 9 GLN H 1 9 GLN HB2 . . 3.480 2.240 2.094 2.343 . 0 0 "[ . 1 . 2]" 1
91 1 9 GLN H 1 9 GLN QB . . 3.170 2.214 2.074 2.309 . 0 0 "[ . 1 . 2]" 1
92 1 9 GLN H 1 9 GLN HB3 . . 3.480 3.463 3.334 3.538 0.058 18 0 "[ . 1 . 2]" 1
93 1 9 GLN H 1 9 GLN HG2 . . 3.950 3.677 3.069 3.968 0.018 18 0 "[ . 1 . 2]" 1
94 1 9 GLN H 1 9 GLN HG3 . . 3.950 3.583 3.136 3.823 . 0 0 "[ . 1 . 2]" 1
95 1 9 GLN H 1 10 GLY H . . 2.830 2.151 1.911 2.486 . 0 0 "[ . 1 . 2]" 1
96 1 9 GLN HA 1 9 GLN HG2 . . 4.270 2.157 2.013 3.492 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLN HA 1 9 GLN QG . . 3.750 2.073 1.992 2.216 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLN HA 1 9 GLN HG3 . . 4.270 3.258 2.241 3.540 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLN QG 1 10 GLY H . . 6.880 4.522 4.446 4.619 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLY H 1 10 GLY HA2 . . 2.830 2.304 2.260 2.367 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLY H 1 10 GLY HA3 . . 2.830 2.907 2.854 2.946 0.116 12 0 "[ . 1 . 2]" 1
102 1 10 GLY H 1 11 VAL H . . 4.520 2.325 2.075 2.715 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLY H 1 11 VAL HB . . 4.340 4.355 4.341 4.378 0.038 19 0 "[ . 1 . 2]" 1
104 1 11 VAL H 1 11 VAL HB . . 2.980 2.498 2.228 2.952 . 0 0 "[ . 1 . 2]" 1
105 1 11 VAL HA 1 12 CYS H . . 2.580 2.459 2.370 2.583 0.003 17 0 "[ . 1 . 2]" 1
106 1 11 VAL HB 1 12 CYS H . . 3.880 3.891 3.641 3.969 0.089 17 0 "[ . 1 . 2]" 1
107 1 11 VAL HB 1 22 ARG HA . . 5.930 5.765 5.537 5.946 0.016 17 0 "[ . 1 . 2]" 1
108 1 11 VAL HB 1 23 ALA H . . 6.000 5.075 4.923 5.330 . 0 0 "[ . 1 . 2]" 1
109 1 11 VAL QG 1 22 ARG QG . . 6.500 2.008 1.731 2.300 . 0 0 "[ . 1 . 2]" 1
110 1 11 VAL QG 1 23 ALA H . . 6.610 2.111 1.908 2.480 . 0 0 "[ . 1 . 2]" 1
111 1 11 VAL QG 1 23 ALA HA . . 7.580 3.471 3.114 3.707 . 0 0 "[ . 1 . 2]" 1
112 1 11 VAL MG1 1 12 CYS H . . 5.520 1.940 1.839 2.177 . 0 0 "[ . 1 . 2]" 1
113 1 11 VAL MG1 1 22 ARG QB . . 7.290 3.626 3.111 4.024 . 0 0 "[ . 1 . 2]" 1
114 1 11 VAL MG1 1 22 ARG HG2 . . 7.590 2.320 1.944 3.188 . 0 0 "[ . 1 . 2]" 1
115 1 11 VAL MG1 1 22 ARG HG3 . . 7.590 2.396 1.868 3.087 . 0 0 "[ . 1 . 2]" 1
116 1 11 VAL MG2 1 12 CYS H . . 5.520 3.461 2.454 3.907 . 0 0 "[ . 1 . 2]" 1
117 1 11 VAL MG2 1 22 ARG QB . . 7.290 4.700 4.104 5.230 . 0 0 "[ . 1 . 2]" 1
118 1 11 VAL MG2 1 22 ARG HG2 . . 7.590 3.399 2.421 4.204 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL MG2 1 22 ARG HG3 . . 7.590 4.203 2.926 5.416 . 0 0 "[ . 1 . 2]" 1
120 1 12 CYS H 1 12 CYS HB2 . . 3.840 3.580 2.747 3.695 . 0 0 "[ . 1 . 2]" 1
121 1 12 CYS H 1 12 CYS QB . . 3.630 3.070 2.687 3.160 . 0 0 "[ . 1 . 2]" 1
122 1 12 CYS H 1 12 CYS HB3 . . 3.840 3.405 3.099 3.838 . 0 0 "[ . 1 . 2]" 1
123 1 12 CYS H 1 13 SER H . . 4.990 4.439 4.405 4.527 . 0 0 "[ . 1 . 2]" 1
124 1 12 CYS H 1 22 ARG QB . . 6.730 5.725 5.246 6.044 . 0 0 "[ . 1 . 2]" 1
125 1 12 CYS H 1 23 ALA H . . 4.520 2.656 2.529 2.880 . 0 0 "[ . 1 . 2]" 1
126 1 12 CYS H 1 23 ALA HA . . 4.810 4.654 4.437 4.814 0.004 4 0 "[ . 1 . 2]" 1
127 1 12 CYS H 1 23 ALA MB . . 5.770 4.031 3.844 4.358 . 0 0 "[ . 1 . 2]" 1
128 1 12 CYS H 1 25 VAL H . . 4.420 4.069 3.772 4.367 . 0 0 "[ . 1 . 2]" 1
129 1 12 CYS HA 1 13 SER H . . 2.620 2.313 2.299 2.322 . 0 0 "[ . 1 . 2]" 1
130 1 12 CYS QB 1 13 SER H . . 3.430 2.930 2.896 2.983 . 0 0 "[ . 1 . 2]" 1
131 1 12 CYS QB 1 25 VAL QG . . 5.380 2.007 1.762 3.331 . 0 0 "[ . 1 . 2]" 1
132 1 12 CYS HB2 1 13 SER H . . 3.880 3.119 2.976 3.951 0.071 15 0 "[ . 1 . 2]" 1
133 1 12 CYS HB2 1 25 VAL MG1 . . 6.810 4.993 4.043 5.671 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS HB2 1 25 VAL MG2 . . 6.810 3.353 3.122 3.812 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS HB3 1 13 SER H . . 3.880 3.813 2.979 3.977 0.097 20 0 "[ . 1 . 2]" 1
136 1 12 CYS HB3 1 25 VAL MG1 . . 6.810 3.827 2.650 5.723 . 0 0 "[ . 1 . 2]" 1
137 1 12 CYS HB3 1 25 VAL MG2 . . 6.810 2.086 1.774 4.299 . 0 0 "[ . 1 . 2]" 1
138 1 13 SER H 1 14 VAL H . . 5.240 4.149 4.022 4.286 . 0 0 "[ . 1 . 2]" 1
139 1 13 SER H 1 14 VAL QG . . 6.720 4.778 3.978 5.054 . 0 0 "[ . 1 . 2]" 1
140 1 13 SER HA 1 13 SER QB . . 2.740 2.337 2.183 2.548 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER HA 1 14 VAL H . . 2.400 2.231 2.216 2.285 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER QB 1 14 VAL H . . 4.530 3.492 3.138 3.946 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER HB2 1 14 VAL H . . 4.670 4.041 3.219 4.616 . 0 0 "[ . 1 . 2]" 1
144 1 13 SER HB3 1 14 VAL H . . 4.670 4.056 3.284 4.518 . 0 0 "[ . 1 . 2]" 1
145 1 14 VAL H 1 14 VAL HB . . 3.080 2.720 2.295 2.955 . 0 0 "[ . 1 . 2]" 1
146 1 14 VAL H 1 14 VAL MG1 . . 4.510 2.344 1.900 3.721 . 0 0 "[ . 1 . 2]" 1
147 1 14 VAL H 1 14 VAL QG . . 4.100 2.122 1.895 2.700 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL H 1 14 VAL MG2 . . 4.510 3.552 2.578 3.835 . 0 0 "[ . 1 . 2]" 1
149 1 14 VAL H 1 43 ILE MD . . 5.590 3.969 2.961 4.640 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL HA 1 14 VAL HB . . 2.940 2.546 2.377 3.023 0.083 2 0 "[ . 1 . 2]" 1
151 1 14 VAL HA 1 15 GLU H . . 3.300 2.350 2.319 2.408 . 0 0 "[ . 1 . 2]" 1
152 1 14 VAL HB 1 15 GLU H . . 4.020 4.005 3.844 4.083 0.063 20 0 "[ . 1 . 2]" 1
153 1 14 VAL QG 1 15 GLU H . . 4.190 2.049 1.914 2.179 . 0 0 "[ . 1 . 2]" 1
154 1 14 VAL QG 1 21 HIS H . . 7.040 4.375 3.312 5.305 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL MG1 1 15 GLU H . . 4.540 3.414 1.922 3.797 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL MG2 1 15 GLU H . . 4.540 2.407 1.920 3.787 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLU H 1 15 GLU HB2 . . 3.620 2.624 2.174 3.753 0.133 8 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 15 GLU QB . . 3.240 2.393 2.123 2.831 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 15 GLU HB3 . . 3.620 3.279 2.704 3.654 0.034 5 0 "[ . 1 . 2]" 1
160 1 15 GLU H 1 15 GLU HG2 . . 4.340 3.913 2.132 4.397 0.057 5 0 "[ . 1 . 2]" 1
161 1 15 GLU H 1 15 GLU QG . . 4.140 3.132 2.119 3.769 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU H 1 15 GLU HG3 . . 4.340 3.596 3.144 4.182 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU H 1 16 ILE H . . 4.990 4.505 4.418 4.622 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU HA 1 15 GLU HG2 . . 3.980 2.756 2.026 3.619 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU HA 1 15 GLU HG3 . . 3.980 2.869 2.375 3.961 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLU HA 1 16 ILE H . . 3.050 2.269 2.214 2.348 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLU QB 1 16 ILE H . . 3.980 3.213 3.095 3.403 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLU HB2 1 16 ILE H . . 4.270 4.105 3.173 4.416 0.146 20 0 "[ . 1 . 2]" 1
169 1 15 GLU HB3 1 16 ILE H . . 4.270 3.531 3.203 4.332 0.062 6 0 "[ . 1 . 2]" 1
170 1 15 GLU QG 1 16 ILE H . . 4.340 3.487 2.451 4.004 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLU QG 1 19 SER H . . 5.330 4.270 3.584 4.768 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLU HG2 1 16 ILE H . . 4.520 3.814 2.470 4.502 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLU HG3 1 16 ILE H . . 4.520 4.371 3.975 4.547 0.027 5 0 "[ . 1 . 2]" 1
174 1 16 ILE H 1 16 ILE HB . . 3.520 3.401 2.981 3.663 0.143 14 0 "[ . 1 . 2]" 1
175 1 16 ILE H 1 16 ILE MD . . 5.230 3.890 1.935 4.323 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE H 1 16 ILE HG12 . . 3.770 3.467 2.930 3.889 0.119 14 0 "[ . 1 . 2]" 1
177 1 16 ILE H 1 16 ILE QG . . 3.590 2.457 2.059 2.837 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE H 1 16 ILE HG13 . . 3.770 2.517 2.100 2.931 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE H 1 19 SER H . . 3.520 2.764 1.874 3.469 . 0 0 "[ . 1 . 2]" 1
180 1 16 ILE H 1 19 SER QB . . 4.940 2.676 1.787 3.633 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE HA 1 16 ILE HB . . 2.980 2.865 2.696 3.012 0.032 1 0 "[ . 1 . 2]" 1
182 1 16 ILE HA 1 17 GLU QB . . 5.260 4.413 3.961 4.554 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE MD 1 17 GLU QG . . 6.540 4.529 4.064 4.827 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLU HA 1 19 SER H . . 4.920 4.835 4.445 4.945 0.025 19 0 "[ . 1 . 2]" 1
185 1 17 GLU QG 1 18 GLY H . . 6.880 3.385 2.010 4.314 . 0 0 "[ . 1 . 2]" 1
186 1 18 GLY H 1 19 SER H . . 4.380 2.693 2.070 3.582 . 0 0 "[ . 1 . 2]" 1
187 1 19 SER H 1 19 SER QB . . 3.420 2.340 2.162 2.869 . 0 0 "[ . 1 . 2]" 1
188 1 19 SER HA 1 19 SER QB . . 2.600 2.269 2.189 2.451 . 0 0 "[ . 1 . 2]" 1
189 1 19 SER HA 1 21 HIS H . . 4.090 4.094 3.837 4.127 0.037 18 0 "[ . 1 . 2]" 1
190 1 20 ARG HA 1 21 HIS H . . 2.720 2.746 2.609 2.840 0.120 18 0 "[ . 1 . 2]" 1
191 1 21 HIS H 1 22 ARG H . . 4.600 4.481 4.412 4.581 . 0 0 "[ . 1 . 2]" 1
192 1 22 ARG H 1 22 ARG HG2 . . 5.240 4.958 4.649 5.215 . 0 0 "[ . 1 . 2]" 1
193 1 22 ARG H 1 22 ARG QG . . 4.970 4.170 4.018 4.253 . 0 0 "[ . 1 . 2]" 1
194 1 22 ARG H 1 22 ARG HG3 . . 5.240 4.515 4.204 4.846 . 0 0 "[ . 1 . 2]" 1
195 1 22 ARG H 1 23 ALA H . . 3.950 3.916 3.823 3.973 0.023 4 0 "[ . 1 . 2]" 1
196 1 22 ARG HA 1 23 ALA H . . 2.440 2.242 2.227 2.269 . 0 0 "[ . 1 . 2]" 1
197 1 22 ARG HA 1 23 ALA MB . . 7.030 3.909 3.852 3.971 . 0 0 "[ . 1 . 2]" 1
198 1 22 ARG HG2 1 23 ALA H . . 3.800 3.476 2.841 3.807 0.007 20 0 "[ . 1 . 2]" 1
199 1 22 ARG HG3 1 23 ALA H . . 3.800 3.499 2.882 3.797 . 0 0 "[ . 1 . 2]" 1
200 1 23 ALA H 1 43 ILE MD . . 6.060 3.937 3.341 4.491 . 0 0 "[ . 1 . 2]" 1
201 1 23 ALA HA 1 24 PRO QD . . 3.590 2.050 1.912 2.266 . 0 0 "[ . 1 . 2]" 1
202 1 23 ALA HA 1 24 PRO HG2 . . 6.000 4.767 4.585 5.006 . 0 0 "[ . 1 . 2]" 1
203 1 23 ALA HA 1 24 PRO QG . . 5.150 4.031 3.906 4.217 . 0 0 "[ . 1 . 2]" 1
204 1 23 ALA HA 1 24 PRO HG3 . . 6.000 4.349 4.233 4.539 . 0 0 "[ . 1 . 2]" 1
205 1 24 PRO HA 1 25 VAL QG . . 6.970 3.717 3.224 4.334 . 0 0 "[ . 1 . 2]" 1
206 1 24 PRO HA 1 27 SER H . . 4.990 4.386 4.232 4.463 . 0 0 "[ . 1 . 2]" 1
207 1 24 PRO QB 1 26 ASP QB . . 7.140 3.847 3.608 4.136 . 0 0 "[ . 1 . 2]" 1
208 1 24 PRO QG 1 27 SER H . . 4.360 3.534 3.336 3.615 . 0 0 "[ . 1 . 2]" 1
209 1 25 VAL H 1 25 VAL HB . . 3.080 2.251 1.955 2.682 . 0 0 "[ . 1 . 2]" 1
210 1 25 VAL H 1 25 VAL MG1 . . 4.330 3.621 3.114 3.709 . 0 0 "[ . 1 . 2]" 1
211 1 25 VAL H 1 25 VAL QG . . 3.850 2.408 1.866 2.838 . 0 0 "[ . 1 . 2]" 1
212 1 25 VAL H 1 25 VAL MG2 . . 4.330 2.467 1.872 3.270 . 0 0 "[ . 1 . 2]" 1
213 1 25 VAL H 1 26 ASP H . . 3.160 2.518 2.269 2.759 . 0 0 "[ . 1 . 2]" 1
214 1 25 VAL HA 1 25 VAL HB . . 2.980 2.998 2.795 3.025 0.045 19 0 "[ . 1 . 2]" 1
215 1 25 VAL HA 1 27 SER H . . 4.340 3.349 3.306 3.467 . 0 0 "[ . 1 . 2]" 1
216 1 25 VAL HA 1 28 LEU H . . 5.530 4.207 3.652 4.445 . 0 0 "[ . 1 . 2]" 1
217 1 25 VAL HA 1 28 LEU HA . . 5.390 4.991 4.700 5.240 . 0 0 "[ . 1 . 2]" 1
218 1 25 VAL HA 1 28 LEU HG . . 2.940 2.100 1.983 2.301 . 0 0 "[ . 1 . 2]" 1
219 1 25 VAL HB 1 26 ASP H . . 3.340 3.111 3.017 3.365 0.025 12 0 "[ . 1 . 2]" 1
220 1 25 VAL QG 1 26 ASP H . . 4.820 3.333 2.302 3.555 . 0 0 "[ . 1 . 2]" 1
221 1 25 VAL QG 1 27 SER H . . 7.000 4.055 3.867 4.142 . 0 0 "[ . 1 . 2]" 1
222 1 25 VAL QG 1 28 LEU H . . 7.400 4.295 3.941 4.484 . 0 0 "[ . 1 . 2]" 1
223 1 25 VAL QG 1 61 ALA MB . . 8.930 2.110 1.711 2.587 . 0 0 "[ . 1 . 2]" 1
224 1 25 VAL QG 1 62 GLY H . . 6.610 3.494 2.879 4.058 . 0 0 "[ . 1 . 2]" 1
225 1 25 VAL QG 1 63 ALA H . . 5.240 3.195 2.963 3.407 . 0 0 "[ . 1 . 2]" 1
226 1 25 VAL QG 1 63 ALA HA . . 6.720 3.202 2.552 3.896 . 0 0 "[ . 1 . 2]" 1
227 1 25 VAL MG1 1 26 ASP H . . 5.160 3.563 2.312 4.110 . 0 0 "[ . 1 . 2]" 1
228 1 25 VAL MG2 1 26 ASP H . . 5.160 4.131 3.714 4.267 . 0 0 "[ . 1 . 2]" 1
229 1 26 ASP H 1 26 ASP HB2 . . 3.370 3.562 3.544 3.572 0.202 19 0 "[ . 1 . 2]" 1
230 1 26 ASP H 1 26 ASP QB . . 2.990 2.512 2.403 2.549 . 0 0 "[ . 1 . 2]" 1
231 1 26 ASP H 1 26 ASP HB3 . . 3.370 2.568 2.445 2.611 . 0 0 "[ . 1 . 2]" 1
232 1 26 ASP H 1 27 SER H . . 2.830 2.560 2.485 2.641 . 0 0 "[ . 1 . 2]" 1
233 1 26 ASP HA 1 26 ASP HB2 . . 2.400 2.476 2.457 2.486 0.086 3 0 "[ . 1 . 2]" 1
234 1 26 ASP HA 1 26 ASP HB3 . . 2.400 2.470 2.462 2.490 0.090 7 0 "[ . 1 . 2]" 1
235 1 26 ASP HA 1 27 SER H . . 3.340 3.356 3.321 3.441 0.101 12 0 "[ . 1 . 2]" 1
236 1 26 ASP HA 1 28 LEU H . . 4.600 3.757 3.611 4.023 . 0 0 "[ . 1 . 2]" 1
237 1 27 SER H 1 28 LEU H . . 4.240 2.743 2.555 2.927 . 0 0 "[ . 1 . 2]" 1
238 1 27 SER H 1 28 LEU HA . . 4.670 4.519 4.422 4.570 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU H 1 28 LEU HB2 . . 3.520 2.396 2.320 2.463 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU H 1 28 LEU QB . . 3.320 2.363 2.292 2.426 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU H 1 28 LEU HB3 . . 3.520 3.609 3.561 3.652 0.132 10 0 "[ . 1 . 2]" 1
242 1 28 LEU H 1 28 LEU MD1 . . 5.300 3.901 3.685 4.146 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU H 1 28 LEU QD . . 4.910 3.474 3.401 3.514 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU H 1 28 LEU MD2 . . 5.300 3.917 3.613 4.071 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU H 1 28 LEU HG . . 3.010 3.026 2.906 3.075 0.065 12 0 "[ . 1 . 2]" 1
246 1 28 LEU H 1 29 ARG H . . 4.960 4.513 4.462 4.535 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU H 1 63 ALA MB . . 5.620 3.945 3.770 4.237 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU H 1 64 GLU H . . 3.520 3.563 3.538 3.613 0.093 12 0 "[ . 1 . 2]" 1
249 1 28 LEU HA 1 43 ILE HA . . 3.770 3.758 3.636 3.804 0.034 1 0 "[ . 1 . 2]" 1
250 1 28 LEU QB 1 29 ARG H . . 3.420 2.310 2.065 2.618 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU QB 1 63 ALA MB . . 6.680 1.847 1.718 2.136 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU HB2 1 29 ARG H . . 3.840 3.651 3.468 3.882 0.042 20 0 "[ . 1 . 2]" 1
253 1 28 LEU HB3 1 29 ARG H . . 3.840 2.337 2.081 2.661 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU QD 1 29 ARG H . . 4.950 2.986 2.816 3.210 . 0 0 "[ . 1 . 2]" 1
255 1 28 LEU QD 1 43 ILE HA . . 7.410 3.171 2.437 3.617 . 0 0 "[ . 1 . 2]" 1
256 1 28 LEU QD 1 43 ILE HB . . 6.760 2.628 2.168 3.647 . 0 0 "[ . 1 . 2]" 1
257 1 28 LEU MD1 1 29 ARG H . . 5.770 4.345 4.084 4.535 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU MD2 1 29 ARG H . . 5.770 3.043 2.859 3.282 . 0 0 "[ . 1 . 2]" 1
259 1 28 LEU HG 1 29 ARG H . . 5.390 4.772 4.682 5.016 . 0 0 "[ . 1 . 2]" 1
260 1 29 ARG H 1 29 ARG QD . . 5.580 4.827 4.499 5.050 . 0 0 "[ . 1 . 2]" 1
261 1 29 ARG H 1 30 ILE H . . 4.340 4.162 4.095 4.395 0.055 20 0 "[ . 1 . 2]" 1
262 1 29 ARG H 1 41 LEU QD . . 7.950 2.862 2.384 4.199 . 0 0 "[ . 1 . 2]" 1
263 1 29 ARG H 1 42 TYR H . . 3.800 3.264 3.002 3.808 0.008 10 0 "[ . 1 . 2]" 1
264 1 29 ARG H 1 42 TYR QB . . 6.550 3.433 3.103 3.770 . 0 0 "[ . 1 . 2]" 1
265 1 29 ARG H 1 64 GLU H . . 4.130 4.144 4.064 4.182 0.052 12 0 "[ . 1 . 2]" 1
266 1 29 ARG HA 1 30 ILE H . . 2.720 2.277 2.250 2.382 . 0 0 "[ . 1 . 2]" 1
267 1 29 ARG HA 1 64 GLU H . . 2.940 2.918 2.512 2.971 0.031 12 0 "[ . 1 . 2]" 1
268 1 29 ARG HA 1 64 GLU HB2 . . 4.450 2.335 1.993 2.579 . 0 0 "[ . 1 . 2]" 1
269 1 29 ARG HA 1 64 GLU HB3 . . 3.480 2.231 1.988 2.517 . 0 0 "[ . 1 . 2]" 1
270 1 29 ARG HA 1 64 GLU HG2 . . 6.000 4.156 3.731 4.558 . 0 0 "[ . 1 . 2]" 1
271 1 29 ARG QB 1 42 TYR QB . . 7.750 2.015 1.776 2.466 . 0 0 "[ . 1 . 2]" 1
272 1 29 ARG QB 1 42 TYR QD . . 9.020 3.581 2.043 4.070 . 0 0 "[ . 1 . 2]" 1
273 1 29 ARG QB 1 66 GLN QE . . 7.750 5.027 4.296 5.878 . 0 0 "[ . 1 . 2]" 1
274 1 29 ARG QD 1 66 GLN QE . . 5.630 2.706 1.909 3.650 . 0 0 "[ . 1 . 2]" 1
275 1 29 ARG HD2 1 66 GLN HE21 . . 6.580 3.271 1.949 4.877 . 0 0 "[ . 1 . 2]" 1
276 1 29 ARG HD2 1 66 GLN HE22 . . 6.580 4.789 3.506 6.439 . 0 0 "[ . 1 . 2]" 1
277 1 29 ARG HD3 1 66 GLN HE21 . . 6.580 3.460 2.062 5.082 . 0 0 "[ . 1 . 2]" 1
278 1 29 ARG HD3 1 66 GLN HE22 . . 6.580 4.929 3.728 6.484 . 0 0 "[ . 1 . 2]" 1
279 1 29 ARG QG 1 30 ILE H . . 6.880 2.940 2.192 4.190 . 0 0 "[ . 1 . 2]" 1
280 1 29 ARG QG 1 64 GLU HB2 . . 6.880 3.377 2.048 4.625 . 0 0 "[ . 1 . 2]" 1
281 1 29 ARG QG 1 64 GLU HB3 . . 6.880 2.953 2.038 3.934 . 0 0 "[ . 1 . 2]" 1
282 1 30 ILE H 1 30 ILE HB . . 2.870 2.428 2.393 2.461 . 0 0 "[ . 1 . 2]" 1
283 1 30 ILE H 1 30 ILE MD . . 5.620 4.236 4.170 4.319 . 0 0 "[ . 1 . 2]" 1
284 1 30 ILE H 1 30 ILE HG12 . . 4.020 3.581 3.460 3.790 . 0 0 "[ . 1 . 2]" 1
285 1 30 ILE H 1 30 ILE HG13 . . 3.160 2.948 2.831 3.115 . 0 0 "[ . 1 . 2]" 1
286 1 30 ILE H 1 30 ILE MG . . 4.360 3.727 3.681 3.757 . 0 0 "[ . 1 . 2]" 1
287 1 30 ILE H 1 31 GLY H . . 4.810 4.519 4.501 4.540 . 0 0 "[ . 1 . 2]" 1
288 1 30 ILE H 1 64 GLU HB2 . . 4.310 4.015 3.632 4.312 0.002 14 0 "[ . 1 . 2]" 1
289 1 30 ILE H 1 65 ASP HA . . 3.590 3.585 3.329 3.618 0.028 16 0 "[ . 1 . 2]" 1
290 1 30 ILE H 1 66 GLN H . . 3.620 3.445 3.213 3.643 0.023 9 0 "[ . 1 . 2]" 1
291 1 30 ILE H 1 66 GLN QE . . 6.870 4.345 3.508 5.333 . 0 0 "[ . 1 . 2]" 1
292 1 30 ILE HA 1 30 ILE MD . . 4.180 3.547 3.523 3.573 . 0 0 "[ . 1 . 2]" 1
293 1 30 ILE HA 1 31 GLY H . . 2.580 2.267 2.243 2.290 . 0 0 "[ . 1 . 2]" 1
294 1 30 ILE HA 1 31 GLY QA . . 6.520 3.897 3.887 3.902 . 0 0 "[ . 1 . 2]" 1
295 1 30 ILE HA 1 40 VAL H . . 4.850 4.829 4.525 4.878 0.028 13 0 "[ . 1 . 2]" 1
296 1 30 ILE HA 1 41 LEU HA . . 3.050 2.694 2.372 3.056 0.006 20 0 "[ . 1 . 2]" 1
297 1 30 ILE HA 1 42 TYR H . . 3.880 3.264 2.658 3.542 . 0 0 "[ . 1 . 2]" 1
298 1 30 ILE HA 1 50 ILE MD . . 6.960 4.972 4.680 5.318 . 0 0 "[ . 1 . 2]" 1
299 1 30 ILE HB 1 31 GLY H . . 4.130 4.138 4.113 4.155 0.025 4 0 "[ . 1 . 2]" 1
300 1 30 ILE HB 1 65 ASP HA . . 4.310 2.440 2.189 2.640 . 0 0 "[ . 1 . 2]" 1
301 1 30 ILE HB 1 66 GLN H . . 3.370 2.671 2.207 3.105 . 0 0 "[ . 1 . 2]" 1
302 1 30 ILE MD 1 31 GLY H . . 7.030 4.486 4.387 4.616 . 0 0 "[ . 1 . 2]" 1
303 1 30 ILE MD 1 40 VAL H . . 7.030 5.371 4.544 5.701 . 0 0 "[ . 1 . 2]" 1
304 1 30 ILE MD 1 42 TYR H . . 6.920 5.501 5.089 5.774 . 0 0 "[ . 1 . 2]" 1
305 1 30 ILE MD 1 55 ALA HA . . 4.690 2.840 2.323 3.115 . 0 0 "[ . 1 . 2]" 1
306 1 30 ILE MD 1 55 ALA MB . . 7.910 2.479 2.099 2.808 . 0 0 "[ . 1 . 2]" 1
307 1 30 ILE MD 1 56 GLN H . . 7.030 4.479 4.297 4.673 . 0 0 "[ . 1 . 2]" 1
308 1 30 ILE MD 1 59 VAL H . . 7.030 2.837 2.552 3.177 . 0 0 "[ . 1 . 2]" 1
309 1 30 ILE MD 1 59 VAL HA . . 6.160 3.834 3.457 4.309 . 0 0 "[ . 1 . 2]" 1
310 1 30 ILE MD 1 59 VAL HB . . 7.030 3.549 2.969 4.153 . 0 0 "[ . 1 . 2]" 1
311 1 30 ILE MD 1 59 VAL QG . . 7.170 1.838 1.663 2.083 . 0 0 "[ . 1 . 2]" 1
312 1 30 ILE HG12 1 31 GLY H . . 4.520 4.207 4.042 4.322 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE HG12 1 59 VAL H . . 6.000 5.345 5.012 5.638 . 0 0 "[ . 1 . 2]" 1
314 1 30 ILE HG12 1 59 VAL QG . . 6.430 3.698 3.239 4.050 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE HG13 1 64 GLU H . . 5.500 4.355 4.084 4.567 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE MG 1 31 GLY H . . 5.230 2.345 2.259 2.453 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE MG 1 39 SER QB . . 6.470 2.894 2.433 3.226 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE MG 1 40 VAL H . . 5.340 3.432 2.674 3.725 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE MG 1 50 ILE MD . . 6.400 3.868 3.304 4.087 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE MG 1 55 ALA HA . . 5.620 4.369 4.051 4.512 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE MG 1 55 ALA MB . . 5.970 2.975 2.730 3.219 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE MG 1 67 ARG H . . 5.480 2.994 2.719 3.431 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE MG 1 67 ARG QD . . 5.820 3.225 1.831 4.150 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE MG 1 67 ARG QG . . 6.000 2.389 1.765 3.411 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLY H 1 40 VAL H . . 3.340 2.931 2.728 3.063 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLY H 1 40 VAL QG . . 6.180 2.632 2.303 2.907 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLY H 1 41 LEU HA . . 3.590 3.401 3.129 3.608 0.018 20 0 "[ . 1 . 2]" 1
328 1 31 GLY H 1 42 TYR QE . . 6.660 4.425 3.148 5.090 . 0 0 "[ . 1 . 2]" 1
329 1 31 GLY QA 1 32 THR HA . . 4.430 3.958 3.957 3.960 . 0 0 "[ . 1 . 2]" 1
330 1 31 GLY QA 1 40 VAL HB . . 6.880 4.756 4.160 5.474 . 0 0 "[ . 1 . 2]" 1
331 1 31 GLY QA 1 42 TYR QE . . 9.010 2.862 1.993 3.364 . 0 0 "[ . 1 . 2]" 1
332 1 32 THR H 1 32 THR HB . . 3.050 2.648 2.581 2.724 . 0 0 "[ . 1 . 2]" 1
333 1 32 THR HA 1 32 THR MG . . 3.500 2.356 2.204 2.532 . 0 0 "[ . 1 . 2]" 1
334 1 32 THR HA 1 33 ASP H . . 3.190 2.214 2.185 2.245 . 0 0 "[ . 1 . 2]" 1
335 1 32 THR HA 1 39 SER HA . . 2.760 2.226 2.000 2.662 . 0 0 "[ . 1 . 2]" 1
336 1 32 THR HB 1 33 ASP H . . 4.160 4.147 4.057 4.212 0.052 19 0 "[ . 1 . 2]" 1
337 1 32 THR MG 1 33 ASP H . . 3.750 2.432 2.153 2.657 . 0 0 "[ . 1 . 2]" 1
338 1 32 THR MG 1 34 ALA HA . . 4.800 3.754 3.546 3.878 . 0 0 "[ . 1 . 2]" 1
339 1 32 THR MG 1 34 ALA MB . . 8.060 4.053 3.774 4.208 . 0 0 "[ . 1 . 2]" 1
340 1 32 THR MG 1 37 ARG HA . . 5.520 3.355 2.969 3.822 . 0 0 "[ . 1 . 2]" 1
341 1 32 THR MG 1 38 LEU H . . 6.850 3.469 3.013 3.876 . 0 0 "[ . 1 . 2]" 1
342 1 32 THR MG 1 38 LEU QD . . 8.110 4.527 3.406 4.885 . 0 0 "[ . 1 . 2]" 1
343 1 32 THR MG 1 39 SER HA . . 7.030 3.105 2.660 3.490 . 0 0 "[ . 1 . 2]" 1
344 1 32 THR MG 1 40 VAL QG . . 9.000 3.938 3.752 4.200 . 0 0 "[ . 1 . 2]" 1
345 1 33 ASP H 1 33 ASP HB2 . . 3.120 2.404 2.167 2.972 . 0 0 "[ . 1 . 2]" 1
346 1 33 ASP H 1 33 ASP QB . . 2.900 2.254 2.127 2.349 . 0 0 "[ . 1 . 2]" 1
347 1 33 ASP H 1 33 ASP HB3 . . 3.120 2.922 2.352 3.130 0.010 13 0 "[ . 1 . 2]" 1
348 1 33 ASP H 1 38 LEU H . . 3.550 2.916 2.718 3.111 . 0 0 "[ . 1 . 2]" 1
349 1 33 ASP H 1 39 SER HA . . 3.410 3.268 3.092 3.419 0.009 19 0 "[ . 1 . 2]" 1
350 1 33 ASP H 1 40 VAL MG1 . . 4.440 3.375 3.091 3.544 . 0 0 "[ . 1 . 2]" 1
351 1 33 ASP H 1 40 VAL MG2 . . 4.440 3.024 2.614 3.334 . 0 0 "[ . 1 . 2]" 1
352 1 33 ASP QB 1 38 LEU H . . 5.080 2.749 2.575 3.215 . 0 0 "[ . 1 . 2]" 1
353 1 33 ASP QB 1 38 LEU HG . . 5.580 4.006 3.170 4.853 . 0 0 "[ . 1 . 2]" 1
354 1 33 ASP QB 1 40 VAL QG . . 5.490 2.025 1.832 2.848 . 0 0 "[ . 1 . 2]" 1
355 1 33 ASP HB2 1 40 VAL MG1 . . 7.050 2.093 1.865 3.008 . 0 0 "[ . 1 . 2]" 1
356 1 33 ASP HB2 1 40 VAL MG2 . . 7.050 2.979 2.384 3.782 . 0 0 "[ . 1 . 2]" 1
357 1 33 ASP HB3 1 40 VAL MG1 . . 7.050 3.387 2.558 4.448 . 0 0 "[ . 1 . 2]" 1
358 1 33 ASP HB3 1 40 VAL MG2 . . 7.050 4.350 3.686 5.135 . 0 0 "[ . 1 . 2]" 1
359 1 34 ALA HA 1 35 GLU H . . 3.370 3.419 3.385 3.441 0.071 2 0 "[ . 1 . 2]" 1
360 1 34 ALA HA 1 37 ARG HA . . 3.880 2.598 2.525 2.737 . 0 0 "[ . 1 . 2]" 1
361 1 34 ALA MB 1 35 GLU H . . 4.110 3.209 3.143 3.257 . 0 0 "[ . 1 . 2]" 1
362 1 34 ALA MB 1 35 GLU QB . . 7.900 4.538 4.345 4.839 . 0 0 "[ . 1 . 2]" 1
363 1 34 ALA MB 1 35 GLU QG . . 7.040 4.504 3.585 5.118 . 0 0 "[ . 1 . 2]" 1
364 1 34 ALA MB 1 36 ALA H . . 5.590 4.736 4.715 4.776 . 0 0 "[ . 1 . 2]" 1
365 1 35 GLU H 1 35 GLU QB . . 3.670 2.108 1.998 2.534 . 0 0 "[ . 1 . 2]" 1
366 1 35 GLU H 1 35 GLU QG . . 4.500 3.203 2.079 3.769 . 0 0 "[ . 1 . 2]" 1
367 1 35 GLU H 1 36 ALA H . . 2.760 2.678 2.487 2.757 . 0 0 "[ . 1 . 2]" 1
368 1 35 GLU H 1 36 ALA MB . . 5.660 4.565 4.391 4.656 . 0 0 "[ . 1 . 2]" 1
369 1 35 GLU QB 1 36 ALA H . . 4.070 2.753 2.664 2.821 . 0 0 "[ . 1 . 2]" 1
370 1 35 GLU QG 1 36 ALA H . . 5.800 4.409 3.935 4.613 . 0 0 "[ . 1 . 2]" 1
371 1 36 ALA H 1 36 ALA HA . . 2.900 2.931 2.929 2.933 0.033 18 0 "[ . 1 . 2]" 1
372 1 36 ALA H 1 36 ALA MB . . 3.430 2.495 2.441 2.560 . 0 0 "[ . 1 . 2]" 1
373 1 36 ALA H 1 37 ARG H . . 2.760 1.944 1.887 2.019 . 0 0 "[ . 1 . 2]" 1
374 1 36 ALA H 1 38 LEU QB . . 5.330 4.447 4.358 4.696 . 0 0 "[ . 1 . 2]" 1
375 1 36 ALA HA 1 37 ARG H . . 3.550 3.186 3.152 3.218 . 0 0 "[ . 1 . 2]" 1
376 1 36 ALA MB 1 37 ARG H . . 4.180 3.527 3.485 3.558 . 0 0 "[ . 1 . 2]" 1
377 1 36 ALA MB 1 38 LEU H . . 4.620 3.614 3.428 3.738 . 0 0 "[ . 1 . 2]" 1
378 1 36 ALA MB 1 38 LEU QB . . 7.010 2.920 2.615 3.219 . 0 0 "[ . 1 . 2]" 1
379 1 36 ALA MB 1 38 LEU MD1 . . 5.750 2.765 1.681 3.443 . 0 0 "[ . 1 . 2]" 1
380 1 36 ALA MB 1 38 LEU QD . . 5.400 2.134 1.679 2.582 . 0 0 "[ . 1 . 2]" 1
381 1 36 ALA MB 1 38 LEU MD2 . . 5.750 2.938 1.921 3.903 . 0 0 "[ . 1 . 2]" 1
382 1 36 ALA MB 1 38 LEU HG . . 5.620 3.527 2.104 4.558 . 0 0 "[ . 1 . 2]" 1
383 1 37 ARG H 1 37 ARG HA . . 2.510 2.164 2.159 2.176 . 0 0 "[ . 1 . 2]" 1
384 1 37 ARG H 1 37 ARG QB . . 3.810 3.152 2.865 3.358 . 0 0 "[ . 1 . 2]" 1
385 1 37 ARG H 1 37 ARG QG . . 4.430 3.089 2.413 4.012 . 0 0 "[ . 1 . 2]" 1
386 1 37 ARG H 1 38 LEU H . . 3.010 2.888 2.800 2.974 . 0 0 "[ . 1 . 2]" 1
387 1 37 ARG HA 1 37 ARG QB . . 2.690 2.448 2.358 2.509 . 0 0 "[ . 1 . 2]" 1
388 1 37 ARG HA 1 38 LEU H . . 2.690 2.724 2.696 2.780 0.090 19 0 "[ . 1 . 2]" 1
389 1 38 LEU H 1 38 LEU QB . . 3.640 2.698 2.478 2.939 . 0 0 "[ . 1 . 2]" 1
390 1 38 LEU H 1 38 LEU HG . . 3.770 3.448 3.082 3.863 0.093 13 0 "[ . 1 . 2]" 1
391 1 38 LEU HA 1 39 SER H . . 2.440 2.457 2.421 2.474 0.034 18 0 "[ . 1 . 2]" 1
392 1 38 LEU QB 1 39 SER H . . 3.530 2.630 2.461 2.835 . 0 0 "[ . 1 . 2]" 1
393 1 38 LEU HB2 1 39 SER H . . 4.060 3.210 2.516 3.782 . 0 0 "[ . 1 . 2]" 1
394 1 38 LEU HB3 1 39 SER H . . 4.060 3.373 2.498 4.089 0.029 18 0 "[ . 1 . 2]" 1
395 1 38 LEU QD 1 39 SER H . . 4.840 3.320 2.805 3.491 . 0 0 "[ . 1 . 2]" 1
396 1 38 LEU QD 1 49 HIS QB . . 7.710 3.114 1.713 4.295 . 0 0 "[ . 1 . 2]" 1
397 1 38 LEU MD1 1 39 SER H . . 5.730 4.065 3.530 4.657 . 0 0 "[ . 1 . 2]" 1
398 1 38 LEU MD2 1 39 SER H . . 5.730 3.726 2.829 4.215 . 0 0 "[ . 1 . 2]" 1
399 1 39 SER H 1 39 SER HB2 . . 3.880 2.926 2.401 3.592 . 0 0 "[ . 1 . 2]" 1
400 1 39 SER H 1 39 SER QB . . 3.390 2.599 2.367 2.926 . 0 0 "[ . 1 . 2]" 1
401 1 39 SER H 1 39 SER HB3 . . 3.880 3.329 2.490 3.638 . 0 0 "[ . 1 . 2]" 1
402 1 39 SER H 1 40 VAL H . . 5.710 4.610 4.585 4.631 . 0 0 "[ . 1 . 2]" 1
403 1 39 SER H 1 55 ALA MB . . 7.030 4.903 3.944 5.439 . 0 0 "[ . 1 . 2]" 1
404 1 39 SER HA 1 40 VAL H . . 2.470 2.334 2.277 2.436 . 0 0 "[ . 1 . 2]" 1
405 1 39 SER HA 1 40 VAL QG . . 7.620 3.141 2.997 3.273 . 0 0 "[ . 1 . 2]" 1
406 1 39 SER QB 1 40 VAL H . . 3.650 2.874 2.670 3.035 . 0 0 "[ . 1 . 2]" 1
407 1 39 SER QB 1 50 ILE QG . . 6.410 3.926 3.386 4.374 . 0 0 "[ . 1 . 2]" 1
408 1 39 SER QB 1 55 ALA MB . . 5.880 2.723 2.008 3.098 . 0 0 "[ . 1 . 2]" 1
409 1 39 SER HB2 1 40 VAL H . . 4.130 3.540 2.881 4.062 . 0 0 "[ . 1 . 2]" 1
410 1 39 SER HB2 1 50 ILE MD . . 7.030 4.549 3.608 5.280 . 0 0 "[ . 1 . 2]" 1
411 1 39 SER HB2 1 50 ILE HG12 . . 7.750 5.163 4.385 5.498 . 0 0 "[ . 1 . 2]" 1
412 1 39 SER HB2 1 50 ILE HG13 . . 7.750 4.382 3.542 4.982 . 0 0 "[ . 1 . 2]" 1
413 1 39 SER HB2 1 55 ALA MB . . 6.380 2.906 2.029 3.476 . 0 0 "[ . 1 . 2]" 1
414 1 39 SER HB3 1 40 VAL H . . 4.130 3.301 2.721 4.140 0.010 17 0 "[ . 1 . 2]" 1
415 1 39 SER HB3 1 50 ILE MD . . 7.030 5.121 3.576 5.740 . 0 0 "[ . 1 . 2]" 1
416 1 39 SER HB3 1 50 ILE HG12 . . 7.750 5.920 5.094 6.968 . 0 0 "[ . 1 . 2]" 1
417 1 39 SER HB3 1 50 ILE HG13 . . 7.750 5.348 4.444 6.083 . 0 0 "[ . 1 . 2]" 1
418 1 39 SER HB3 1 55 ALA MB . . 6.380 3.375 2.393 3.926 . 0 0 "[ . 1 . 2]" 1
419 1 40 VAL H 1 40 VAL HB . . 3.620 3.659 3.612 3.706 0.086 5 0 "[ . 1 . 2]" 1
420 1 40 VAL HA 1 40 VAL HB . . 2.980 2.578 2.514 2.625 . 0 0 "[ . 1 . 2]" 1
421 1 40 VAL HA 1 41 LEU H . . 2.760 2.535 2.388 2.650 . 0 0 "[ . 1 . 2]" 1
422 1 40 VAL HA 1 49 HIS QB . . 6.880 4.386 3.471 5.401 . 0 0 "[ . 1 . 2]" 1
423 1 40 VAL HA 1 50 ILE MD . . 5.910 4.491 3.548 4.941 . 0 0 "[ . 1 . 2]" 1
424 1 40 VAL HA 1 50 ILE QG . . 6.880 3.019 2.283 3.379 . 0 0 "[ . 1 . 2]" 1
425 1 40 VAL HA 1 50 ILE MG . . 5.590 4.042 3.525 4.506 . 0 0 "[ . 1 . 2]" 1
426 1 40 VAL HB 1 41 LEU H . . 3.590 2.359 2.126 2.682 . 0 0 "[ . 1 . 2]" 1
427 1 40 VAL HB 1 47 ARG QG . . 6.880 3.279 2.537 4.652 . 0 0 "[ . 1 . 2]" 1
428 1 40 VAL HB 1 48 LEU H . . 4.600 3.174 2.702 3.517 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL HB 1 48 LEU QB . . 6.410 5.491 5.064 5.763 . 0 0 "[ . 1 . 2]" 1
430 1 40 VAL QG 1 41 LEU H . . 5.810 3.144 3.001 3.285 . 0 0 "[ . 1 . 2]" 1
431 1 40 VAL QG 1 41 LEU QD . . 11.190 4.566 4.449 4.761 . 0 0 "[ . 1 . 2]" 1
432 1 40 VAL QG 1 47 ARG QB . . 7.130 4.167 3.822 4.485 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL QG 1 47 ARG QD . . 5.540 2.127 1.777 2.628 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL QG 1 47 ARG QG . . 6.830 2.830 2.111 3.647 . 0 0 "[ . 1 . 2]" 1
435 1 40 VAL QG 1 48 LEU H . . 5.800 3.595 3.234 3.961 . 0 0 "[ . 1 . 2]" 1
436 1 40 VAL QG 1 48 LEU QD . . 9.490 4.399 4.208 4.641 . 0 0 "[ . 1 . 2]" 1
437 1 40 VAL QG 1 49 HIS HA . . 6.040 2.338 2.035 2.619 . 0 0 "[ . 1 . 2]" 1
438 1 40 VAL QG 1 50 ILE H . . 7.110 3.616 3.031 3.907 . 0 0 "[ . 1 . 2]" 1
439 1 40 VAL MG1 1 41 LEU H . . 7.030 3.422 3.221 3.609 . 0 0 "[ . 1 . 2]" 1
440 1 40 VAL MG1 1 42 TYR QE . . 8.440 4.648 3.500 5.391 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL MG1 1 47 ARG QB . . 7.900 4.752 4.539 5.084 . 0 0 "[ . 1 . 2]" 1
442 1 40 VAL MG1 1 47 ARG HD2 . . 6.870 3.185 1.903 4.136 . 0 0 "[ . 1 . 2]" 1
443 1 40 VAL MG1 1 47 ARG HD3 . . 6.870 2.473 1.909 3.746 . 0 0 "[ . 1 . 2]" 1
444 1 40 VAL MG1 1 47 ARG HG2 . . 8.780 3.738 3.153 4.527 . 0 0 "[ . 1 . 2]" 1
445 1 40 VAL MG1 1 47 ARG HG3 . . 8.780 4.130 3.707 4.554 . 0 0 "[ . 1 . 2]" 1
446 1 40 VAL MG1 1 48 LEU H . . 7.030 3.780 3.366 4.220 . 0 0 "[ . 1 . 2]" 1
447 1 40 VAL MG1 1 48 LEU MD1 . . 11.180 5.013 4.693 5.661 . 0 0 "[ . 1 . 2]" 1
448 1 40 VAL MG1 1 48 LEU MD2 . . 11.180 5.414 4.850 5.912 . 0 0 "[ . 1 . 2]" 1
449 1 40 VAL MG1 1 49 HIS HA . . 7.030 2.343 2.037 2.627 . 0 0 "[ . 1 . 2]" 1
450 1 40 VAL MG2 1 41 LEU H . . 7.030 3.675 3.484 3.861 . 0 0 "[ . 1 . 2]" 1
451 1 40 VAL MG2 1 42 TYR QE . . 8.440 2.593 1.924 3.454 . 0 0 "[ . 1 . 2]" 1
452 1 40 VAL MG2 1 47 ARG QB . . 7.900 4.629 4.112 5.053 . 0 0 "[ . 1 . 2]" 1
453 1 40 VAL MG2 1 47 ARG HD2 . . 6.870 4.180 3.036 5.106 . 0 0 "[ . 1 . 2]" 1
454 1 40 VAL MG2 1 47 ARG HD3 . . 6.870 3.134 2.191 3.811 . 0 0 "[ . 1 . 2]" 1
455 1 40 VAL MG2 1 47 ARG HG2 . . 8.780 3.292 2.179 4.568 . 0 0 "[ . 1 . 2]" 1
456 1 40 VAL MG2 1 47 ARG HG3 . . 8.780 3.895 2.826 5.110 . 0 0 "[ . 1 . 2]" 1
457 1 40 VAL MG2 1 48 LEU H . . 7.030 4.531 4.183 4.858 . 0 0 "[ . 1 . 2]" 1
458 1 40 VAL MG2 1 48 LEU MD1 . . 11.180 6.590 6.309 6.891 . 0 0 "[ . 1 . 2]" 1
459 1 40 VAL MG2 1 48 LEU MD2 . . 11.180 6.155 5.222 6.697 . 0 0 "[ . 1 . 2]" 1
460 1 40 VAL MG2 1 49 HIS HA . . 7.030 4.814 4.397 5.209 . 0 0 "[ . 1 . 2]" 1
461 1 41 LEU H 1 41 LEU HB2 . . 3.480 3.312 2.918 3.480 0.000 13 0 "[ . 1 . 2]" 1
462 1 41 LEU H 1 41 LEU QB . . 3.220 2.424 2.325 2.529 . 0 0 "[ . 1 . 2]" 1
463 1 41 LEU H 1 41 LEU HB3 . . 3.480 2.496 2.372 2.597 . 0 0 "[ . 1 . 2]" 1
464 1 41 LEU H 1 41 LEU HG . . 4.850 4.789 4.639 4.869 0.019 19 0 "[ . 1 . 2]" 1
465 1 41 LEU H 1 42 TYR H . . 5.140 4.425 4.386 4.488 . 0 0 "[ . 1 . 2]" 1
466 1 41 LEU H 1 48 LEU H . . 3.120 2.861 2.379 3.134 0.014 11 0 "[ . 1 . 2]" 1
467 1 41 LEU H 1 48 LEU HG . . 3.730 3.345 2.850 3.736 0.006 4 0 "[ . 1 . 2]" 1
468 1 41 LEU H 1 49 HIS HA . . 4.160 3.848 3.423 4.066 . 0 0 "[ . 1 . 2]" 1
469 1 41 LEU H 1 50 ILE MG . . 4.870 3.285 2.651 3.748 . 0 0 "[ . 1 . 2]" 1
470 1 41 LEU HA 1 42 TYR H . . 2.540 2.255 2.185 2.290 . 0 0 "[ . 1 . 2]" 1
471 1 41 LEU QB 1 42 TYR H . . 4.830 3.644 3.511 3.849 . 0 0 "[ . 1 . 2]" 1
472 1 41 LEU QB 1 50 ILE MD . . 7.220 2.176 1.938 2.638 . 0 0 "[ . 1 . 2]" 1
473 1 41 LEU QB 1 50 ILE MG . . 7.910 1.893 1.674 2.225 . 0 0 "[ . 1 . 2]" 1
474 1 41 LEU QB 1 55 ALA MB . . 7.260 3.982 3.546 4.557 . 0 0 "[ . 1 . 2]" 1
475 1 41 LEU HB2 1 41 LEU HG . . 3.010 2.379 2.306 2.475 . 0 0 "[ . 1 . 2]" 1
476 1 41 LEU HB3 1 41 LEU HG . . 3.010 2.588 2.462 3.032 0.022 10 0 "[ . 1 . 2]" 1
477 1 41 LEU QD 1 42 TYR H . . 4.740 1.884 1.742 2.477 . 0 0 "[ . 1 . 2]" 1
478 1 41 LEU QD 1 46 LYS QD . . 6.420 3.157 2.693 3.817 . 0 0 "[ . 1 . 2]" 1
479 1 41 LEU MD1 1 42 TYR H . . 6.090 3.233 2.718 4.646 . 0 0 "[ . 1 . 2]" 1
480 1 41 LEU MD1 1 46 LYS HD2 . . 7.770 3.609 2.774 5.560 . 0 0 "[ . 1 . 2]" 1
481 1 41 LEU MD1 1 46 LYS HD3 . . 7.770 4.438 3.763 6.195 . 0 0 "[ . 1 . 2]" 1
482 1 41 LEU MD2 1 42 TYR H . . 6.090 1.898 1.753 2.486 . 0 0 "[ . 1 . 2]" 1
483 1 41 LEU MD2 1 46 LYS HD2 . . 7.770 5.235 2.992 6.278 . 0 0 "[ . 1 . 2]" 1
484 1 41 LEU MD2 1 46 LYS HD3 . . 7.770 6.046 4.404 6.420 . 0 0 "[ . 1 . 2]" 1
485 1 41 LEU HG 1 42 TYR H . . 4.200 4.080 3.189 4.311 0.111 6 0 "[ . 1 . 2]" 1
486 1 41 LEU HG 1 43 ILE HB . . 4.520 4.398 4.029 4.542 0.022 15 0 "[ . 1 . 2]" 1
487 1 41 LEU HG 1 50 ILE QG . . 5.480 4.053 3.605 4.615 . 0 0 "[ . 1 . 2]" 1
488 1 42 TYR H 1 43 ILE H . . 4.420 4.322 4.200 4.442 0.022 8 0 "[ . 1 . 2]" 1
489 1 42 TYR HA 1 43 ILE H . . 2.400 2.197 2.188 2.225 . 0 0 "[ . 1 . 2]" 1
490 1 42 TYR HA 1 47 ARG HA . . 3.370 3.331 2.964 3.399 0.029 6 0 "[ . 1 . 2]" 1
491 1 42 TYR HA 1 48 LEU H . . 4.310 4.291 4.162 4.330 0.020 15 0 "[ . 1 . 2]" 1
492 1 42 TYR QD 1 43 ILE H . . 8.140 4.145 3.589 4.694 . 0 0 "[ . 1 . 2]" 1
493 1 42 TYR QE 1 47 ARG QB . . 9.010 3.305 2.528 3.794 . 0 0 "[ . 1 . 2]" 1
494 1 42 TYR QE 1 47 ARG QD . . 8.650 4.067 2.084 4.871 . 0 0 "[ . 1 . 2]" 1
495 1 43 ILE H 1 43 ILE HB . . 4.060 3.317 2.925 3.462 . 0 0 "[ . 1 . 2]" 1
496 1 43 ILE H 1 43 ILE MG . . 3.430 2.128 1.942 2.433 . 0 0 "[ . 1 . 2]" 1
497 1 43 ILE HA 1 43 ILE HB . . 2.510 2.393 2.320 2.518 0.008 18 0 "[ . 1 . 2]" 1
498 1 43 ILE HA 1 43 ILE MD . . 4.580 3.630 2.347 3.869 . 0 0 "[ . 1 . 2]" 1
499 1 43 ILE HA 1 43 ILE HG12 . . 3.620 3.232 2.932 3.700 0.080 1 0 "[ . 1 . 2]" 1
500 1 43 ILE HA 1 43 ILE QG . . 3.080 2.430 2.344 2.630 . 0 0 "[ . 1 . 2]" 1
501 1 43 ILE HA 1 43 ILE HG13 . . 3.620 2.516 2.429 2.691 . 0 0 "[ . 1 . 2]" 1
502 1 43 ILE HA 1 44 ASP H . . 2.800 2.197 2.176 2.258 . 0 0 "[ . 1 . 2]" 1
503 1 43 ILE HB 1 43 ILE MD . . 3.460 2.286 2.054 2.399 . 0 0 "[ . 1 . 2]" 1
504 1 43 ILE HB 1 43 ILE QG . . 2.610 2.384 2.320 2.477 . 0 0 "[ . 1 . 2]" 1
505 1 43 ILE MD 1 44 ASP H . . 7.030 4.631 3.424 5.031 . 0 0 "[ . 1 . 2]" 1
506 1 43 ILE QG 1 44 ASP H . . 5.650 3.079 2.332 3.390 . 0 0 "[ . 1 . 2]" 1
507 1 43 ILE QG 1 44 ASP QB . . 5.080 2.682 2.368 3.125 . 0 0 "[ . 1 . 2]" 1
508 1 43 ILE HG12 1 44 ASP H . . 6.000 3.723 3.051 4.893 . 0 0 "[ . 1 . 2]" 1
509 1 43 ILE HG12 1 44 ASP HB2 . . 6.490 2.890 2.421 4.358 . 0 0 "[ . 1 . 2]" 1
510 1 43 ILE HG12 1 44 ASP HB3 . . 6.490 4.387 3.796 6.066 . 0 0 "[ . 1 . 2]" 1
511 1 43 ILE HG13 1 44 ASP H . . 6.000 3.334 2.408 3.916 . 0 0 "[ . 1 . 2]" 1
512 1 43 ILE HG13 1 44 ASP HB2 . . 6.490 3.852 3.017 4.404 . 0 0 "[ . 1 . 2]" 1
513 1 43 ILE HG13 1 44 ASP HB3 . . 6.490 5.358 4.469 6.099 . 0 0 "[ . 1 . 2]" 1
514 1 43 ILE MG 1 44 ASP H . . 6.700 4.244 3.938 4.354 . 0 0 "[ . 1 . 2]" 1
515 1 43 ILE MG 1 47 ARG H . . 6.560 5.282 4.956 5.379 . 0 0 "[ . 1 . 2]" 1
516 1 43 ILE MG 1 48 LEU QD . . 6.530 2.974 2.331 3.323 . 0 0 "[ . 1 . 2]" 1
517 1 44 ASP H 1 44 ASP HB2 . . 4.160 3.257 3.123 3.382 . 0 0 "[ . 1 . 2]" 1
518 1 44 ASP H 1 44 ASP QB . . 3.790 3.111 3.013 3.229 . 0 0 "[ . 1 . 2]" 1
519 1 44 ASP H 1 44 ASP HB3 . . 4.160 3.952 3.826 4.093 . 0 0 "[ . 1 . 2]" 1
520 1 44 ASP HA 1 44 ASP HB2 . . 2.980 2.788 2.641 3.020 0.040 5 0 "[ . 1 . 2]" 1
521 1 44 ASP HA 1 44 ASP HB3 . . 2.980 2.941 2.688 3.037 0.057 3 0 "[ . 1 . 2]" 1
522 1 44 ASP QB 1 46 LYS QE . . 5.960 4.543 4.254 4.826 . 0 0 "[ . 1 . 2]" 1
523 1 45 GLY H 1 46 LYS H . . 4.380 2.479 1.890 3.039 . 0 0 "[ . 1 . 2]" 1
524 1 45 GLY QA 1 46 LYS HA . . 5.330 4.012 3.982 4.054 . 0 0 "[ . 1 . 2]" 1
525 1 46 LYS H 1 46 LYS HB2 . . 3.770 3.558 2.521 3.806 0.036 5 0 "[ . 1 . 2]" 1
526 1 46 LYS H 1 46 LYS QB . . 3.350 2.653 2.426 2.926 . 0 0 "[ . 1 . 2]" 1
527 1 46 LYS H 1 46 LYS HB3 . . 3.770 2.858 2.466 3.489 . 0 0 "[ . 1 . 2]" 1
528 1 46 LYS H 1 46 LYS QD . . 6.200 4.251 2.052 4.883 . 0 0 "[ . 1 . 2]" 1
529 1 46 LYS H 1 46 LYS QE . . 6.880 4.905 4.311 5.922 . 0 0 "[ . 1 . 2]" 1
530 1 46 LYS H 1 46 LYS HG2 . . 4.880 3.378 2.810 4.365 . 0 0 "[ . 1 . 2]" 1
531 1 46 LYS H 1 46 LYS QG . . 4.090 2.735 2.133 3.750 . 0 0 "[ . 1 . 2]" 1
532 1 46 LYS H 1 46 LYS HG3 . . 4.880 2.949 2.210 4.438 . 0 0 "[ . 1 . 2]" 1
533 1 46 LYS H 1 47 ARG H . . 4.990 4.481 4.454 4.554 . 0 0 "[ . 1 . 2]" 1
534 1 46 LYS HA 1 46 LYS HD2 . . 5.420 5.010 3.737 5.402 . 0 0 "[ . 1 . 2]" 1
535 1 46 LYS HA 1 46 LYS QD . . 5.120 3.882 3.524 4.561 . 0 0 "[ . 1 . 2]" 1
536 1 46 LYS HA 1 46 LYS HD3 . . 5.420 4.087 3.776 5.175 . 0 0 "[ . 1 . 2]" 1
537 1 46 LYS HA 1 47 ARG H . . 2.540 2.538 2.418 2.616 0.076 16 0 "[ . 1 . 2]" 1
538 1 46 LYS HA 1 47 ARG QB . . 5.150 3.877 3.808 3.935 . 0 0 "[ . 1 . 2]" 1
539 1 46 LYS QB 1 47 ARG H . . 3.780 2.574 2.320 3.089 . 0 0 "[ . 1 . 2]" 1
540 1 46 LYS QB 1 48 LEU QD . . 9.480 4.172 2.937 4.738 . 0 0 "[ . 1 . 2]" 1
541 1 46 LYS HB2 1 47 ARG H . . 4.090 2.807 2.341 4.119 0.029 6 0 "[ . 1 . 2]" 1
542 1 46 LYS HB3 1 47 ARG H . . 4.090 3.756 2.768 4.086 . 0 0 "[ . 1 . 2]" 1
543 1 46 LYS QD 1 47 ARG H . . 4.290 2.777 2.004 3.924 . 0 0 "[ . 1 . 2]" 1
544 1 46 LYS HD2 1 47 ARG H . . 4.850 4.299 3.691 4.867 0.017 6 0 "[ . 1 . 2]" 1
545 1 46 LYS HD3 1 47 ARG H . . 4.850 2.832 2.013 4.187 . 0 0 "[ . 1 . 2]" 1
546 1 46 LYS QG 1 47 ARG H . . 5.790 3.198 1.861 3.669 . 0 0 "[ . 1 . 2]" 1
547 1 46 LYS HG2 1 47 ARG H . . 6.000 4.095 2.269 4.774 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS HG3 1 47 ARG H . . 6.000 3.582 1.889 4.596 . 0 0 "[ . 1 . 2]" 1
549 1 47 ARG H 1 48 LEU H . . 4.600 4.043 3.824 4.448 . 0 0 "[ . 1 . 2]" 1
550 1 47 ARG HA 1 47 ARG HD2 . . 3.840 3.488 3.031 3.800 . 0 0 "[ . 1 . 2]" 1
551 1 47 ARG HA 1 47 ARG QD . . 3.610 2.911 1.972 3.302 . 0 0 "[ . 1 . 2]" 1
552 1 47 ARG HA 1 47 ARG HD3 . . 3.840 3.230 1.992 3.850 0.010 11 0 "[ . 1 . 2]" 1
553 1 47 ARG HA 1 47 ARG HG2 . . 3.950 2.688 2.156 3.909 . 0 0 "[ . 1 . 2]" 1
554 1 47 ARG HA 1 47 ARG QG . . 3.710 2.506 2.135 3.245 . 0 0 "[ . 1 . 2]" 1
555 1 47 ARG HA 1 47 ARG HG3 . . 3.950 3.528 3.390 3.664 . 0 0 "[ . 1 . 2]" 1
556 1 47 ARG QB 1 48 LEU QB . . 6.600 4.861 4.708 5.096 . 0 0 "[ . 1 . 2]" 1
557 1 47 ARG QD 1 49 HIS H . . 5.480 4.665 4.203 4.910 . 0 0 "[ . 1 . 2]" 1
558 1 47 ARG QG 1 48 LEU H . . 6.450 3.341 2.482 3.661 . 0 0 "[ . 1 . 2]" 1
559 1 48 LEU H 1 48 LEU HG . . 3.080 3.057 2.953 3.134 0.054 14 0 "[ . 1 . 2]" 1
560 1 48 LEU H 1 49 HIS H . . 4.920 4.404 4.375 4.436 . 0 0 "[ . 1 . 2]" 1
561 1 48 LEU HA 1 49 HIS H . . 3.300 2.551 2.520 2.558 . 0 0 "[ . 1 . 2]" 1
562 1 48 LEU QB 1 49 HIS H . . 4.610 2.620 2.442 2.754 . 0 0 "[ . 1 . 2]" 1
563 1 48 LEU QD 1 49 HIS H . . 7.120 2.308 1.922 3.329 . 0 0 "[ . 1 . 2]" 1
564 1 48 LEU HG 1 49 HIS H . . 3.190 3.217 3.199 3.234 0.044 11 0 "[ . 1 . 2]" 1
565 1 49 HIS H 1 50 ILE H . . 4.420 4.393 4.248 4.477 0.057 20 0 "[ . 1 . 2]" 1
566 1 49 HIS HA 1 50 ILE H . . 2.510 2.193 2.186 2.217 . 0 0 "[ . 1 . 2]" 1
567 1 49 HIS QB 1 50 ILE H . . 4.720 3.470 3.208 3.807 . 0 0 "[ . 1 . 2]" 1
568 1 50 ILE H 1 50 ILE HB . . 4.160 3.716 3.595 3.800 . 0 0 "[ . 1 . 2]" 1
569 1 50 ILE H 1 50 ILE MD . . 5.050 3.893 3.714 4.075 . 0 0 "[ . 1 . 2]" 1
570 1 50 ILE H 1 50 ILE HG12 . . 3.230 2.610 2.123 3.010 . 0 0 "[ . 1 . 2]" 1
571 1 50 ILE H 1 50 ILE QG . . 2.960 2.188 1.992 2.420 . 0 0 "[ . 1 . 2]" 1
572 1 50 ILE H 1 50 ILE HG13 . . 3.230 2.415 2.052 3.056 . 0 0 "[ . 1 . 2]" 1
573 1 50 ILE H 1 50 ILE MG . . 4.220 2.773 2.538 3.049 . 0 0 "[ . 1 . 2]" 1
574 1 50 ILE H 1 51 SER H . . 4.810 4.493 4.446 4.566 . 0 0 "[ . 1 . 2]" 1
575 1 50 ILE HA 1 51 SER H . . 2.830 2.517 2.467 2.552 . 0 0 "[ . 1 . 2]" 1
576 1 50 ILE HB 1 51 SER H . . 3.050 2.400 2.307 2.538 . 0 0 "[ . 1 . 2]" 1
577 1 50 ILE HB 1 54 ASP QB . . 6.880 3.066 2.705 3.551 . 0 0 "[ . 1 . 2]" 1
578 1 50 ILE MD 1 51 SER H . . 6.310 3.542 3.266 3.971 . 0 0 "[ . 1 . 2]" 1
579 1 50 ILE MD 1 54 ASP HB2 . . 6.310 3.526 3.129 4.350 . 0 0 "[ . 1 . 2]" 1
580 1 50 ILE MD 1 54 ASP HB3 . . 6.310 2.586 2.341 2.997 . 0 0 "[ . 1 . 2]" 1
581 1 50 ILE MD 1 55 ALA H . . 4.000 2.740 2.318 3.044 . 0 0 "[ . 1 . 2]" 1
582 1 50 ILE MD 1 55 ALA HA . . 3.930 1.884 1.784 2.001 . 0 0 "[ . 1 . 2]" 1
583 1 50 ILE MD 1 55 ALA MB . . 6.110 1.954 1.737 2.398 . 0 0 "[ . 1 . 2]" 1
584 1 50 ILE MD 1 56 GLN H . . 5.700 4.400 4.117 4.613 . 0 0 "[ . 1 . 2]" 1
585 1 50 ILE MD 1 58 LEU QD . . 9.590 1.977 1.640 2.403 . 0 0 "[ . 1 . 2]" 1
586 1 50 ILE QG 1 51 SER H . . 5.580 3.639 3.231 3.883 . 0 0 "[ . 1 . 2]" 1
587 1 50 ILE QG 1 55 ALA H . . 5.260 4.072 3.350 4.542 . 0 0 "[ . 1 . 2]" 1
588 1 50 ILE QG 1 55 ALA HA . . 6.480 3.709 3.272 3.933 . 0 0 "[ . 1 . 2]" 1
589 1 50 ILE QG 1 55 ALA MB . . 6.650 2.530 2.183 2.836 . 0 0 "[ . 1 . 2]" 1
590 1 50 ILE MG 1 51 SER H . . 4.760 3.719 3.497 3.934 . 0 0 "[ . 1 . 2]" 1
591 1 50 ILE MG 1 55 ALA MB . . 6.760 4.522 4.354 4.595 . 0 0 "[ . 1 . 2]" 1
592 1 51 SER H 1 51 SER HB2 . . 4.060 2.362 2.017 3.285 . 0 0 "[ . 1 . 2]" 1
593 1 51 SER H 1 51 SER QB . . 3.560 2.021 1.997 2.150 . 0 0 "[ . 1 . 2]" 1
594 1 51 SER H 1 51 SER HB3 . . 4.060 2.832 2.023 3.268 . 0 0 "[ . 1 . 2]" 1
595 1 51 SER H 1 52 GLU H . . 5.060 4.653 4.635 4.665 . 0 0 "[ . 1 . 2]" 1
596 1 51 SER H 1 54 ASP QB . . 4.790 2.748 2.454 3.191 . 0 0 "[ . 1 . 2]" 1
597 1 51 SER HA 1 51 SER HB2 . . 2.870 2.674 2.257 2.886 0.016 12 0 "[ . 1 . 2]" 1
598 1 51 SER HA 1 51 SER QB . . 2.680 2.455 2.172 2.567 . 0 0 "[ . 1 . 2]" 1
599 1 51 SER HA 1 51 SER HB3 . . 2.870 2.913 2.826 3.028 0.158 16 0 "[ . 1 . 2]" 1
600 1 51 SER HA 1 52 GLU H . . 2.540 2.365 2.331 2.499 . 0 0 "[ . 1 . 2]" 1
601 1 51 SER HA 1 52 GLU QB . . 5.040 4.266 4.148 4.367 . 0 0 "[ . 1 . 2]" 1
602 1 51 SER HA 1 54 ASP QB . . 4.970 4.093 3.907 4.449 . 0 0 "[ . 1 . 2]" 1
603 1 51 SER QB 1 52 GLU H . . 4.400 3.218 3.051 3.468 . 0 0 "[ . 1 . 2]" 1
604 1 51 SER QB 1 52 GLU HA . . 5.760 4.732 4.476 5.132 . 0 0 "[ . 1 . 2]" 1
605 1 51 SER QB 1 53 GLU H . . 5.150 3.380 2.724 4.188 . 0 0 "[ . 1 . 2]" 1
606 1 52 GLU H 1 52 GLU QG . . 3.740 2.873 2.090 3.371 . 0 0 "[ . 1 . 2]" 1
607 1 52 GLU H 1 53 GLU H . . 3.410 2.795 2.599 2.956 . 0 0 "[ . 1 . 2]" 1
608 1 52 GLU HA 1 54 ASP H . . 4.700 4.429 4.349 4.518 . 0 0 "[ . 1 . 2]" 1
609 1 52 GLU HA 1 55 ALA H . . 3.340 3.331 3.130 3.371 0.031 14 0 "[ . 1 . 2]" 1
610 1 52 GLU HA 1 55 ALA MB . . 4.110 2.442 2.002 2.596 . 0 0 "[ . 1 . 2]" 1
611 1 52 GLU QG 1 53 GLU QB . . 7.500 4.624 2.773 6.021 . 0 0 "[ . 1 . 2]" 1
612 1 53 GLU H 1 53 GLU HB2 . . 3.840 3.020 2.282 3.548 . 0 0 "[ . 1 . 2]" 1
613 1 53 GLU H 1 53 GLU QB . . 3.680 2.324 2.164 2.705 . 0 0 "[ . 1 . 2]" 1
614 1 53 GLU H 1 53 GLU HB3 . . 3.840 2.520 2.378 3.507 . 0 0 "[ . 1 . 2]" 1
615 1 53 GLU H 1 54 ASP H . . 3.660 2.698 2.484 2.864 . 0 0 "[ . 1 . 2]" 1
616 1 53 GLU H 1 55 ALA H . . 4.240 3.987 3.776 4.248 0.008 4 0 "[ . 1 . 2]" 1
617 1 53 GLU HA 1 56 GLN H . . 3.410 3.279 3.149 3.420 0.010 9 0 "[ . 1 . 2]" 1
618 1 53 GLU HA 1 56 GLN HB2 . . 3.730 3.291 2.867 3.587 . 0 0 "[ . 1 . 2]" 1
619 1 53 GLU HA 1 56 GLN QB . . 3.550 2.750 2.375 2.959 . 0 0 "[ . 1 . 2]" 1
620 1 53 GLU HA 1 56 GLN HB3 . . 3.730 2.992 2.435 3.358 . 0 0 "[ . 1 . 2]" 1
621 1 53 GLU HA 1 57 ARG H . . 4.270 4.287 4.255 4.315 0.045 11 0 "[ . 1 . 2]" 1
622 1 53 GLU QB 1 54 ASP H . . 3.780 3.084 2.555 3.487 . 0 0 "[ . 1 . 2]" 1
623 1 53 GLU HB2 1 54 ASP H . . 3.980 3.842 2.702 3.994 0.014 6 0 "[ . 1 . 2]" 1
624 1 53 GLU HB3 1 54 ASP H . . 3.980 3.408 2.597 3.996 0.016 10 0 "[ . 1 . 2]" 1
625 1 53 GLU QG 1 54 ASP H . . 4.520 2.870 1.906 3.851 . 0 0 "[ . 1 . 2]" 1
626 1 53 GLU QG 1 54 ASP QB . . 6.230 4.032 3.005 4.964 . 0 0 "[ . 1 . 2]" 1
627 1 53 GLU QG 1 56 GLN QB . . 6.240 4.296 3.290 5.013 . 0 0 "[ . 1 . 2]" 1
628 1 53 GLU HG2 1 54 ASP H . . 4.850 3.225 1.970 4.705 . 0 0 "[ . 1 . 2]" 1
629 1 53 GLU HG2 1 54 ASP HB2 . . 7.750 4.725 3.319 6.138 . 0 0 "[ . 1 . 2]" 1
630 1 53 GLU HG2 1 54 ASP HB3 . . 7.750 6.002 4.883 7.297 . 0 0 "[ . 1 . 2]" 1
631 1 53 GLU HG3 1 54 ASP H . . 4.850 3.333 2.093 4.557 . 0 0 "[ . 1 . 2]" 1
632 1 53 GLU HG3 1 54 ASP HB2 . . 7.750 4.797 3.560 6.391 . 0 0 "[ . 1 . 2]" 1
633 1 53 GLU HG3 1 54 ASP HB3 . . 7.750 5.830 4.803 7.136 . 0 0 "[ . 1 . 2]" 1
634 1 54 ASP H 1 54 ASP HB2 . . 3.370 2.036 2.006 2.087 . 0 0 "[ . 1 . 2]" 1
635 1 54 ASP H 1 54 ASP QB . . 2.920 2.017 1.987 2.069 . 0 0 "[ . 1 . 2]" 1
636 1 54 ASP H 1 54 ASP HB3 . . 3.370 3.279 3.008 3.397 0.027 18 0 "[ . 1 . 2]" 1
637 1 54 ASP H 1 55 ALA H . . 2.720 2.555 2.460 2.669 . 0 0 "[ . 1 . 2]" 1
638 1 54 ASP H 1 55 ALA MB . . 5.800 4.112 3.973 4.221 . 0 0 "[ . 1 . 2]" 1
639 1 54 ASP H 1 56 GLN H . . 3.980 3.950 3.855 3.995 0.015 10 0 "[ . 1 . 2]" 1
640 1 54 ASP HA 1 56 GLN H . . 4.020 4.035 4.018 4.070 0.050 9 0 "[ . 1 . 2]" 1
641 1 54 ASP HA 1 57 ARG H . . 3.340 3.192 3.025 3.314 . 0 0 "[ . 1 . 2]" 1
642 1 54 ASP HA 1 57 ARG HB2 . . 3.010 2.476 2.206 2.737 . 0 0 "[ . 1 . 2]" 1
643 1 54 ASP HA 1 57 ARG HB3 . . 3.910 3.724 3.385 3.900 . 0 0 "[ . 1 . 2]" 1
644 1 54 ASP HA 1 57 ARG QD . . 4.930 3.691 2.788 4.344 . 0 0 "[ . 1 . 2]" 1
645 1 54 ASP QB 1 55 ALA H . . 3.430 2.795 2.594 2.936 . 0 0 "[ . 1 . 2]" 1
646 1 54 ASP HB2 1 55 ALA H . . 3.700 3.115 2.841 3.554 . 0 0 "[ . 1 . 2]" 1
647 1 54 ASP HB3 1 55 ALA H . . 3.700 3.193 2.877 3.480 . 0 0 "[ . 1 . 2]" 1
648 1 55 ALA H 1 55 ALA MB . . 3.430 2.045 1.954 2.174 . 0 0 "[ . 1 . 2]" 1
649 1 55 ALA H 1 56 GLN H . . 2.760 2.539 2.420 2.702 . 0 0 "[ . 1 . 2]" 1
650 1 55 ALA H 1 57 ARG H . . 4.160 4.109 4.034 4.158 . 0 0 "[ . 1 . 2]" 1
651 1 55 ALA HA 1 58 LEU H . . 3.840 3.494 3.406 3.602 . 0 0 "[ . 1 . 2]" 1
652 1 55 ALA HA 1 58 LEU QB . . 4.290 2.695 2.390 2.932 . 0 0 "[ . 1 . 2]" 1
653 1 55 ALA MB 1 56 GLN H . . 3.860 2.875 2.758 2.987 . 0 0 "[ . 1 . 2]" 1
654 1 55 ALA MB 1 56 GLN HA . . 7.030 3.833 3.789 3.903 . 0 0 "[ . 1 . 2]" 1
655 1 55 ALA MB 1 57 ARG H . . 6.270 4.685 4.581 4.767 . 0 0 "[ . 1 . 2]" 1
656 1 55 ALA MB 1 59 VAL QG . . 9.620 4.388 4.102 4.775 . 0 0 "[ . 1 . 2]" 1
657 1 56 GLN H 1 56 GLN HB2 . . 3.120 2.490 2.303 2.793 . 0 0 "[ . 1 . 2]" 1
658 1 56 GLN H 1 56 GLN QB . . 2.900 2.216 2.175 2.240 . 0 0 "[ . 1 . 2]" 1
659 1 56 GLN H 1 56 GLN HB3 . . 3.120 2.543 2.269 2.745 . 0 0 "[ . 1 . 2]" 1
660 1 56 GLN H 1 56 GLN HG2 . . 5.100 4.407 4.277 4.619 . 0 0 "[ . 1 . 2]" 1
661 1 56 GLN H 1 56 GLN QG . . 4.860 3.953 3.875 4.065 . 0 0 "[ . 1 . 2]" 1
662 1 56 GLN H 1 56 GLN HG3 . . 5.100 4.480 4.212 4.616 . 0 0 "[ . 1 . 2]" 1
663 1 56 GLN H 1 57 ARG H . . 2.720 2.471 2.432 2.515 . 0 0 "[ . 1 . 2]" 1
664 1 56 GLN H 1 57 ARG HB2 . . 4.520 4.238 4.208 4.275 . 0 0 "[ . 1 . 2]" 1
665 1 56 GLN H 1 58 LEU H . . 4.240 3.841 3.727 3.920 . 0 0 "[ . 1 . 2]" 1
666 1 56 GLN HA 1 58 LEU H . . 4.130 4.078 3.916 4.136 0.006 3 0 "[ . 1 . 2]" 1
667 1 56 GLN HA 1 59 VAL MG1 . . 6.700 4.509 4.164 4.751 . 0 0 "[ . 1 . 2]" 1
668 1 56 GLN HA 1 59 VAL QG . . 5.980 3.286 2.688 3.812 . 0 0 "[ . 1 . 2]" 1
669 1 56 GLN HA 1 59 VAL MG2 . . 6.700 3.404 2.705 4.015 . 0 0 "[ . 1 . 2]" 1
670 1 56 GLN QB 1 57 ARG H . . 3.620 2.662 2.541 2.844 . 0 0 "[ . 1 . 2]" 1
671 1 56 GLN QB 1 57 ARG QG . . 7.750 4.266 4.022 4.455 . 0 0 "[ . 1 . 2]" 1
672 1 56 GLN QB 1 59 VAL H . . 6.200 5.078 4.912 5.181 . 0 0 "[ . 1 . 2]" 1
673 1 56 GLN QB 1 60 VAL H . . 5.870 5.226 5.076 5.294 . 0 0 "[ . 1 . 2]" 1
674 1 56 GLN HB2 1 57 ARG H . . 4.160 3.871 3.668 4.142 . 0 0 "[ . 1 . 2]" 1
675 1 56 GLN HB3 1 57 ARG H . . 4.160 2.713 2.577 2.898 . 0 0 "[ . 1 . 2]" 1
676 1 56 GLN QE 1 60 VAL H . . 5.570 4.016 2.508 4.737 . 0 0 "[ . 1 . 2]" 1
677 1 56 GLN QE 1 60 VAL MG2 . . 4.690 2.269 1.801 2.842 . 0 0 "[ . 1 . 2]" 1
678 1 56 GLN HE21 1 60 VAL MG2 . . 5.050 2.588 1.856 3.576 . 0 0 "[ . 1 . 2]" 1
679 1 56 GLN HE22 1 60 VAL MG2 . . 5.050 2.931 1.837 4.261 . 0 0 "[ . 1 . 2]" 1
680 1 56 GLN QG 1 57 ARG H . . 5.160 4.086 3.422 4.467 . 0 0 "[ . 1 . 2]" 1
681 1 56 GLN QG 1 60 VAL MG2 . . 5.030 2.986 2.347 3.691 . 0 0 "[ . 1 . 2]" 1
682 1 56 GLN HG2 1 57 ARG H . . 5.600 4.558 3.835 5.136 . 0 0 "[ . 1 . 2]" 1
683 1 56 GLN HG2 1 60 VAL MG2 . . 5.590 3.453 2.689 4.337 . 0 0 "[ . 1 . 2]" 1
684 1 56 GLN HG3 1 57 ARG H . . 5.600 4.775 3.584 5.314 . 0 0 "[ . 1 . 2]" 1
685 1 56 GLN HG3 1 60 VAL MG2 . . 5.590 3.760 2.415 4.630 . 0 0 "[ . 1 . 2]" 1
686 1 57 ARG H 1 57 ARG HB2 . . 3.260 2.031 2.026 2.039 . 0 0 "[ . 1 . 2]" 1
687 1 57 ARG H 1 57 ARG HB3 . . 3.260 3.265 3.238 3.290 0.030 4 0 "[ . 1 . 2]" 1
688 1 57 ARG H 1 57 ARG QD . . 6.080 4.243 3.736 4.576 . 0 0 "[ . 1 . 2]" 1
689 1 57 ARG H 1 57 ARG HG2 . . 4.600 4.186 3.922 4.365 . 0 0 "[ . 1 . 2]" 1
690 1 57 ARG H 1 57 ARG QG . . 3.790 3.282 3.220 3.327 . 0 0 "[ . 1 . 2]" 1
691 1 57 ARG H 1 57 ARG HG3 . . 4.600 3.435 3.363 3.558 . 0 0 "[ . 1 . 2]" 1
692 1 57 ARG H 1 58 LEU H . . 2.720 2.621 2.551 2.740 0.020 16 0 "[ . 1 . 2]" 1
693 1 57 ARG H 1 59 VAL H . . 4.340 4.367 4.330 4.403 0.063 20 0 "[ . 1 . 2]" 1
694 1 57 ARG HA 1 60 VAL HB . . 3.440 2.309 2.028 2.694 . 0 0 "[ . 1 . 2]" 1
695 1 57 ARG HA 1 60 VAL MG1 . . 5.980 3.669 3.428 4.006 . 0 0 "[ . 1 . 2]" 1
696 1 57 ARG HA 1 60 VAL MG2 . . 5.340 2.911 2.656 3.257 . 0 0 "[ . 1 . 2]" 1
697 1 57 ARG HA 1 61 ALA H . . 4.380 3.963 3.670 4.192 . 0 0 "[ . 1 . 2]" 1
698 1 57 ARG HB2 1 57 ARG QG . . 2.740 2.357 2.224 2.489 . 0 0 "[ . 1 . 2]" 1
699 1 57 ARG HB2 1 58 LEU H . . 3.480 3.291 3.213 3.347 . 0 0 "[ . 1 . 2]" 1
700 1 57 ARG HB3 1 58 LEU H . . 3.950 3.255 3.152 3.342 . 0 0 "[ . 1 . 2]" 1
701 1 57 ARG QG 1 58 LEU H . . 5.690 4.551 4.516 4.576 . 0 0 "[ . 1 . 2]" 1
702 1 57 ARG QG 1 61 ALA MB . . 6.790 4.487 3.940 4.720 . 0 0 "[ . 1 . 2]" 1
703 1 57 ARG HG2 1 58 LEU H . . 6.000 5.074 5.016 5.181 . 0 0 "[ . 1 . 2]" 1
704 1 57 ARG HG3 1 58 LEU H . . 6.000 5.149 5.028 5.271 . 0 0 "[ . 1 . 2]" 1
705 1 58 LEU H 1 58 LEU HB2 . . 3.980 2.107 1.980 2.293 . 0 0 "[ . 1 . 2]" 1
706 1 58 LEU H 1 58 LEU QB . . 3.600 2.086 1.961 2.265 . 0 0 "[ . 1 . 2]" 1
707 1 58 LEU H 1 58 LEU HB3 . . 3.980 3.335 3.041 3.509 . 0 0 "[ . 1 . 2]" 1
708 1 58 LEU H 1 58 LEU MD1 . . 5.260 3.699 3.218 4.140 . 0 0 "[ . 1 . 2]" 1
709 1 58 LEU H 1 58 LEU MD2 . . 5.260 3.943 3.280 4.393 . 0 0 "[ . 1 . 2]" 1
710 1 58 LEU H 1 58 LEU HG . . 3.800 3.098 2.470 3.813 0.013 14 0 "[ . 1 . 2]" 1
711 1 58 LEU H 1 59 VAL H . . 2.900 2.734 2.669 2.806 . 0 0 "[ . 1 . 2]" 1
712 1 58 LEU HA 1 61 ALA H . . 3.660 3.479 3.321 3.640 . 0 0 "[ . 1 . 2]" 1
713 1 58 LEU HA 1 61 ALA MB . . 4.830 2.549 2.112 2.912 . 0 0 "[ . 1 . 2]" 1
714 1 58 LEU QB 1 59 VAL H . . 3.150 2.670 2.548 2.767 . 0 0 "[ . 1 . 2]" 1
715 1 58 LEU QB 1 59 VAL QG . . 8.210 3.224 2.938 3.459 . 0 0 "[ . 1 . 2]" 1
716 1 58 LEU HB2 1 59 VAL H . . 3.440 2.976 2.622 3.429 . 0 0 "[ . 1 . 2]" 1
717 1 58 LEU HB3 1 59 VAL H . . 3.440 3.184 2.779 3.467 0.027 6 0 "[ . 1 . 2]" 1
718 1 58 LEU MD1 1 59 VAL H . . 5.880 4.661 4.485 4.810 . 0 0 "[ . 1 . 2]" 1
719 1 58 LEU MD2 1 59 VAL H . . 5.880 4.533 4.054 4.866 . 0 0 "[ . 1 . 2]" 1
720 1 58 LEU HG 1 59 VAL H . . 6.000 4.891 4.568 5.204 . 0 0 "[ . 1 . 2]" 1
721 1 59 VAL H 1 59 VAL HB . . 2.540 2.234 2.103 2.492 . 0 0 "[ . 1 . 2]" 1
722 1 59 VAL H 1 59 VAL MG1 . . 4.580 3.638 3.568 3.706 . 0 0 "[ . 1 . 2]" 1
723 1 59 VAL H 1 59 VAL QG . . 3.970 2.414 1.961 2.620 . 0 0 "[ . 1 . 2]" 1
724 1 59 VAL H 1 59 VAL MG2 . . 4.580 2.457 1.968 2.692 . 0 0 "[ . 1 . 2]" 1
725 1 59 VAL H 1 60 VAL H . . 2.900 2.683 2.574 2.904 0.004 4 0 "[ . 1 . 2]" 1
726 1 59 VAL H 1 60 VAL MG2 . . 6.200 4.278 4.093 4.580 . 0 0 "[ . 1 . 2]" 1
727 1 59 VAL H 1 61 ALA H . . 3.910 3.912 3.863 3.951 0.041 9 0 "[ . 1 . 2]" 1
728 1 59 VAL H 1 70 LEU HG . . 6.000 5.889 4.603 6.014 0.014 18 0 "[ . 1 . 2]" 1
729 1 59 VAL HA 1 59 VAL HB . . 2.830 3.004 2.975 3.025 0.195 6 0 "[ . 1 . 2]" 1
730 1 59 VAL HA 1 62 GLY H . . 3.190 3.181 3.047 3.234 0.044 10 0 "[ . 1 . 2]" 1
731 1 59 VAL HA 1 63 ALA H . . 2.580 2.378 1.963 2.668 0.088 9 0 "[ . 1 . 2]" 1
732 1 59 VAL HB 1 60 VAL H . . 2.620 2.599 2.466 2.664 0.044 20 0 "[ . 1 . 2]" 1
733 1 59 VAL HB 1 60 VAL MG2 . . 4.720 3.492 3.156 3.712 . 0 0 "[ . 1 . 2]" 1
734 1 59 VAL QG 1 60 VAL H . . 4.420 2.942 2.550 3.241 . 0 0 "[ . 1 . 2]" 1
735 1 59 VAL QG 1 60 VAL HA . . 7.690 3.189 2.854 3.625 . 0 0 "[ . 1 . 2]" 1
736 1 59 VAL QG 1 60 VAL MG2 . . 6.600 3.103 2.511 3.594 . 0 0 "[ . 1 . 2]" 1
737 1 59 VAL QG 1 63 ALA MB . . 8.100 2.663 2.145 3.130 . 0 0 "[ . 1 . 2]" 1
738 1 59 VAL QG 1 65 ASP H . . 6.170 3.649 3.068 4.185 . 0 0 "[ . 1 . 2]" 1
739 1 59 VAL QG 1 65 ASP HA . . 6.680 2.608 2.155 3.067 . 0 0 "[ . 1 . 2]" 1
740 1 59 VAL QG 1 65 ASP QB . . 4.240 2.105 1.687 2.441 . 0 0 "[ . 1 . 2]" 1
741 1 59 VAL QG 1 66 GLN H . . 8.590 4.302 3.845 4.832 . 0 0 "[ . 1 . 2]" 1
742 1 59 VAL QG 1 70 LEU HG . . 6.170 2.759 1.749 4.170 . 0 0 "[ . 1 . 2]" 1
743 1 59 VAL MG1 1 60 VAL H . . 4.800 3.056 2.577 3.536 . 0 0 "[ . 1 . 2]" 1
744 1 59 VAL MG1 1 60 VAL MG2 . . 8.060 3.165 2.521 3.790 . 0 0 "[ . 1 . 2]" 1
745 1 59 VAL MG1 1 65 ASP H . . 6.420 4.383 3.676 5.070 . 0 0 "[ . 1 . 2]" 1
746 1 59 VAL MG1 1 65 ASP HB2 . . 5.010 2.404 1.862 2.849 . 0 0 "[ . 1 . 2]" 1
747 1 59 VAL MG1 1 65 ASP HB3 . . 5.010 3.662 3.073 4.032 . 0 0 "[ . 1 . 2]" 1
748 1 59 VAL MG1 1 70 LEU HG . . 6.490 3.171 1.772 4.974 . 0 0 "[ . 1 . 2]" 1
749 1 59 VAL MG2 1 60 VAL H . . 4.800 3.983 3.751 4.070 . 0 0 "[ . 1 . 2]" 1
750 1 59 VAL MG2 1 60 VAL MG2 . . 8.060 4.671 4.415 4.812 . 0 0 "[ . 1 . 2]" 1
751 1 59 VAL MG2 1 65 ASP H . . 6.420 3.937 3.287 4.483 . 0 0 "[ . 1 . 2]" 1
752 1 59 VAL MG2 1 65 ASP HB2 . . 5.010 2.471 1.961 2.918 . 0 0 "[ . 1 . 2]" 1
753 1 59 VAL MG2 1 65 ASP HB3 . . 5.010 3.685 3.345 4.005 . 0 0 "[ . 1 . 2]" 1
754 1 59 VAL MG2 1 70 LEU HG . . 6.490 3.620 2.241 4.478 . 0 0 "[ . 1 . 2]" 1
755 1 60 VAL H 1 60 VAL HB . . 2.800 2.319 2.297 2.361 . 0 0 "[ . 1 . 2]" 1
756 1 60 VAL H 1 60 VAL MG2 . . 4.000 2.240 2.111 2.389 . 0 0 "[ . 1 . 2]" 1
757 1 60 VAL H 1 61 ALA H . . 2.720 2.743 2.655 2.786 0.066 19 0 "[ . 1 . 2]" 1
758 1 60 VAL H 1 61 ALA MB . . 6.700 4.301 4.173 4.395 . 0 0 "[ . 1 . 2]" 1
759 1 60 VAL H 1 70 LEU QD . . 7.990 4.779 3.499 5.603 . 0 0 "[ . 1 . 2]" 1
760 1 60 VAL HA 1 61 ALA H . . 3.440 3.580 3.573 3.585 0.145 17 0 "[ . 1 . 2]" 1
761 1 60 VAL HA 1 61 ALA MB . . 7.030 4.993 4.976 5.006 . 0 0 "[ . 1 . 2]" 1
762 1 60 VAL HB 1 61 ALA H . . 2.800 2.850 2.820 2.892 0.092 9 0 "[ . 1 . 2]" 1
763 1 60 VAL MG1 1 61 ALA H . . 4.260 3.478 3.416 3.545 . 0 0 "[ . 1 . 2]" 1
764 1 60 VAL MG1 1 61 ALA HA . . 6.240 3.467 3.326 3.563 . 0 0 "[ . 1 . 2]" 1
765 1 60 VAL MG2 1 61 ALA H . . 5.590 4.057 4.021 4.083 . 0 0 "[ . 1 . 2]" 1
766 1 60 VAL MG2 1 70 LEU QD . . 7.970 3.716 2.123 4.774 . 0 0 "[ . 1 . 2]" 1
767 1 61 ALA H 1 61 ALA MB . . 3.430 2.061 1.937 2.162 . 0 0 "[ . 1 . 2]" 1
768 1 61 ALA H 1 62 GLY H . . 3.120 2.571 2.528 2.610 . 0 0 "[ . 1 . 2]" 1
769 1 61 ALA H 1 63 ALA H . . 3.950 3.717 3.483 3.962 0.012 7 0 "[ . 1 . 2]" 1
770 1 61 ALA MB 1 62 GLY H . . 4.260 2.912 2.781 3.033 . 0 0 "[ . 1 . 2]" 1
771 1 61 ALA MB 1 63 ALA H . . 4.900 3.346 2.897 3.969 . 0 0 "[ . 1 . 2]" 1
772 1 62 GLY H 1 62 GLY HA2 . . 2.900 2.507 2.427 2.593 . 0 0 "[ . 1 . 2]" 1
773 1 62 GLY H 1 62 GLY QA . . 2.640 2.377 2.322 2.431 . 0 0 "[ . 1 . 2]" 1
774 1 62 GLY H 1 62 GLY HA3 . . 2.900 2.955 2.938 2.961 0.061 16 0 "[ . 1 . 2]" 1
775 1 62 GLY H 1 63 ALA H . . 2.400 1.880 1.857 1.908 . 0 0 "[ . 1 . 2]" 1
776 1 62 GLY H 1 63 ALA MB . . 4.980 3.520 3.419 3.638 . 0 0 "[ . 1 . 2]" 1
777 1 62 GLY HA2 1 63 ALA H . . 3.620 3.165 2.862 3.466 . 0 0 "[ . 1 . 2]" 1
778 1 62 GLY HA3 1 63 ALA H . . 3.620 3.455 3.223 3.623 0.003 5 0 "[ . 1 . 2]" 1
779 1 63 ALA H 1 63 ALA HA . . 2.870 2.861 2.768 2.939 0.069 5 0 "[ . 1 . 2]" 1
780 1 63 ALA H 1 63 ALA MB . . 3.430 2.203 1.974 2.368 . 0 0 "[ . 1 . 2]" 1
781 1 63 ALA HA 1 64 GLU H . . 2.400 2.383 2.326 2.437 0.037 12 0 "[ . 1 . 2]" 1
782 1 64 GLU H 1 64 GLU HB2 . . 2.940 2.042 2.021 2.062 . 0 0 "[ . 1 . 2]" 1
783 1 64 GLU H 1 64 GLU HB3 . . 3.080 3.121 3.084 3.163 0.083 15 0 "[ . 1 . 2]" 1
784 1 64 GLU H 1 64 GLU HG2 . . 4.560 4.384 4.329 4.417 . 0 0 "[ . 1 . 2]" 1
785 1 64 GLU H 1 64 GLU HG3 . . 4.630 4.408 4.366 4.441 . 0 0 "[ . 1 . 2]" 1
786 1 64 GLU H 1 65 ASP H . . 5.210 4.657 4.643 4.669 . 0 0 "[ . 1 . 2]" 1
787 1 64 GLU HA 1 64 GLU HB2 . . 2.760 2.820 2.788 2.843 0.083 19 0 "[ . 1 . 2]" 1
788 1 64 GLU HA 1 64 GLU HB3 . . 2.830 2.934 2.916 2.956 0.126 16 0 "[ . 1 . 2]" 1
789 1 64 GLU HA 1 64 GLU HG2 . . 3.550 3.554 3.548 3.562 0.012 16 0 "[ . 1 . 2]" 1
790 1 64 GLU HA 1 64 GLU HG3 . . 3.260 2.531 2.473 2.596 . 0 0 "[ . 1 . 2]" 1
791 1 64 GLU HA 1 65 ASP H . . 2.400 2.356 2.300 2.410 0.010 3 0 "[ . 1 . 2]" 1
792 1 64 GLU HB2 1 64 GLU HG2 . . 2.980 2.495 2.479 2.508 . 0 0 "[ . 1 . 2]" 1
793 1 64 GLU HB2 1 65 ASP H . . 4.340 4.289 4.208 4.381 0.041 12 0 "[ . 1 . 2]" 1
794 1 64 GLU HB3 1 64 GLU HG2 . . 2.400 2.460 2.448 2.475 0.075 12 0 "[ . 1 . 2]" 1
795 1 64 GLU HB3 1 64 GLU HG3 . . 2.400 2.495 2.478 2.508 0.108 6 0 "[ . 1 . 2]" 1
796 1 64 GLU HB3 1 65 ASP H . . 4.520 3.306 3.155 3.477 . 0 0 "[ . 1 . 2]" 1
797 1 64 GLU HG2 1 65 ASP H . . 4.560 4.200 4.062 4.412 . 0 0 "[ . 1 . 2]" 1
798 1 64 GLU HG2 1 66 GLN QE . . 6.220 2.412 2.021 3.330 . 0 0 "[ . 1 . 2]" 1
799 1 64 GLU HG3 1 65 ASP H . . 3.620 2.602 2.467 2.817 . 0 0 "[ . 1 . 2]" 1
800 1 65 ASP H 1 65 ASP HB2 . . 2.940 2.678 2.509 2.808 . 0 0 "[ . 1 . 2]" 1
801 1 65 ASP H 1 65 ASP QB . . 2.730 2.490 2.381 2.561 . 0 0 "[ . 1 . 2]" 1
802 1 65 ASP H 1 65 ASP HB3 . . 2.940 2.968 2.910 3.001 0.061 6 0 "[ . 1 . 2]" 1
803 1 65 ASP HA 1 66 GLN H . . 2.650 2.267 2.252 2.310 . 0 0 "[ . 1 . 2]" 1
804 1 65 ASP QB 1 66 GLN HG3 . . 6.880 6.266 6.216 6.311 . 0 0 "[ . 1 . 2]" 1
805 1 66 GLN H 1 66 GLN HB2 . . 3.370 2.769 2.669 2.818 . 0 0 "[ . 1 . 2]" 1
806 1 66 GLN H 1 66 GLN HB3 . . 4.130 3.788 3.765 3.804 . 0 0 "[ . 1 . 2]" 1
807 1 66 GLN H 1 66 GLN HG2 . . 3.800 2.622 2.482 2.811 . 0 0 "[ . 1 . 2]" 1
808 1 66 GLN H 1 66 GLN HG3 . . 5.500 4.053 3.943 4.154 . 0 0 "[ . 1 . 2]" 1
809 1 66 GLN H 1 67 ARG H . . 2.900 1.819 1.796 1.846 . 0 0 "[ . 1 . 2]" 1
810 1 66 GLN H 1 67 ARG QG . . 6.880 4.166 2.906 4.817 . 0 0 "[ . 1 . 2]" 1
811 1 66 GLN HA 1 66 GLN HB2 . . 2.940 3.042 3.035 3.051 0.111 15 0 "[ . 1 . 2]" 1
812 1 66 GLN HA 1 66 GLN HB3 . . 2.830 2.419 2.389 2.479 . 0 0 "[ . 1 . 2]" 1
813 1 66 GLN HA 1 66 GLN HG2 . . 3.880 3.302 3.167 3.387 . 0 0 "[ . 1 . 2]" 1
814 1 66 GLN HA 1 67 ARG H . . 3.410 3.408 3.399 3.427 0.017 13 0 "[ . 1 . 2]" 1
815 1 66 GLN HB2 1 66 GLN HG2 . . 2.400 2.458 2.428 2.498 0.098 13 0 "[ . 1 . 2]" 1
816 1 66 GLN HB2 1 66 GLN HG3 . . 2.510 2.498 2.456 2.531 0.021 2 0 "[ . 1 . 2]" 1
817 1 66 GLN HB2 1 67 ARG H . . 3.370 3.428 3.378 3.452 0.082 2 0 "[ . 1 . 2]" 1
818 1 66 GLN HB3 1 66 GLN HG2 . . 3.010 3.053 3.049 3.057 0.047 16 0 "[ . 1 . 2]" 1
819 1 66 GLN HB3 1 66 GLN HG3 . . 2.400 2.458 2.427 2.499 0.099 13 0 "[ . 1 . 2]" 1
820 1 66 GLN QE 1 66 GLN HG3 . . 3.380 2.723 2.464 3.015 . 0 0 "[ . 1 . 2]" 1
821 1 66 GLN HE22 1 66 GLN HG3 . . 3.910 3.755 3.618 3.922 0.012 12 0 "[ . 1 . 2]" 1
822 1 67 ARG H 1 67 ARG HB2 . . 3.340 2.645 2.029 3.571 0.231 13 0 "[ . 1 . 2]" 1
823 1 67 ARG H 1 67 ARG HB3 . . 3.340 2.941 2.198 3.412 0.072 9 0 "[ . 1 . 2]" 1
824 1 67 ARG H 1 67 ARG QG . . 3.850 2.926 1.863 3.578 . 0 0 "[ . 1 . 2]" 1
825 1 67 ARG HA 1 68 ARG H . . 3.550 3.563 3.441 3.630 0.080 4 0 "[ . 1 . 2]" 1
826 1 68 ARG H 1 68 ARG HB2 . . 3.950 3.147 2.780 3.449 . 0 0 "[ . 1 . 2]" 1
827 1 68 ARG H 1 68 ARG QB . . 3.430 2.956 2.714 3.073 . 0 0 "[ . 1 . 2]" 1
828 1 68 ARG H 1 68 ARG HB3 . . 3.950 3.701 3.293 3.970 0.020 13 0 "[ . 1 . 2]" 1
829 1 68 ARG QB 1 68 ARG QG . . 2.480 2.058 2.028 2.066 . 0 0 "[ . 1 . 2]" 1
830 1 68 ARG HB2 1 69 HIS H . . 3.590 3.415 2.788 3.603 0.013 13 0 "[ . 1 . 2]" 1
831 1 68 ARG HB3 1 69 HIS H . . 3.590 2.151 1.947 2.921 . 0 0 "[ . 1 . 2]" 1
832 1 70 LEU HA 1 71 MET HG2 . . 6.000 5.023 3.712 5.970 . 0 0 "[ . 1 . 2]" 1
833 1 70 LEU HA 1 71 MET QG . . 5.580 4.475 3.652 4.975 . 0 0 "[ . 1 . 2]" 1
834 1 70 LEU HA 1 71 MET HG3 . . 6.000 5.205 4.138 5.705 . 0 0 "[ . 1 . 2]" 1
835 1 70 LEU HB2 1 70 LEU HG . . 2.940 2.592 2.292 2.937 . 0 0 "[ . 1 . 2]" 1
836 1 70 LEU HB3 1 70 LEU HG . . 2.940 2.613 2.316 2.979 0.039 18 0 "[ . 1 . 2]" 1
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