NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394389 |
1r73   |
5977 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r73
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 1057
_Distance_constraint_stats_list.Viol_count 3078
_Distance_constraint_stats_list.Viol_total 4811.426
_Distance_constraint_stats_list.Viol_max 0.857
_Distance_constraint_stats_list.Viol_rms 0.0373
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0114
_Distance_constraint_stats_list.Viol_average_violations_only 0.0782
_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 3 ALA 3.209 0.247 13 0 "[ . 1 . 2]"
1 4 SER 0.433 0.098 14 0 "[ . 1 . 2]"
1 5 GLU 2.616 0.247 13 0 "[ . 1 . 2]"
1 6 LEU 6.638 0.113 2 0 "[ . 1 . 2]"
1 7 ARG 9.920 0.470 1 0 "[ . 1 . 2]"
1 8 ASN 3.902 0.140 9 0 "[ . 1 . 2]"
1 9 TYR 12.134 0.349 18 0 "[ . 1 . 2]"
1 10 THR 3.654 0.125 14 0 "[ . 1 . 2]"
1 11 ASP 4.543 0.157 20 0 "[ . 1 . 2]"
1 12 GLU 3.070 0.109 14 0 "[ . 1 . 2]"
1 13 GLU 9.277 0.365 13 0 "[ . 1 . 2]"
1 14 LEU 6.679 0.166 20 0 "[ . 1 . 2]"
1 15 LYS 8.539 0.113 1 0 "[ . 1 . 2]"
1 16 ASN 7.694 0.113 12 0 "[ . 1 . 2]"
1 17 LEU 5.672 0.113 11 0 "[ . 1 . 2]"
1 18 LEU 4.867 0.108 1 0 "[ . 1 . 2]"
1 19 GLU 6.024 0.113 12 0 "[ . 1 . 2]"
1 20 GLU 2.828 0.102 8 0 "[ . 1 . 2]"
1 21 LYS 9.049 0.132 9 0 "[ . 1 . 2]"
1 22 LYS 5.477 0.120 19 0 "[ . 1 . 2]"
1 23 ARG 6.285 0.110 2 0 "[ . 1 . 2]"
1 24 GLN 11.543 0.178 4 0 "[ . 1 . 2]"
1 25 LEU 5.727 0.262 4 0 "[ . 1 . 2]"
1 26 MET 4.531 0.226 20 0 "[ . 1 . 2]"
1 27 GLU 9.807 0.791 10 1 "[ . + . 2]"
1 28 LEU 5.797 0.400 13 0 "[ . 1 . 2]"
1 29 ARG 6.300 0.142 20 0 "[ . 1 . 2]"
1 30 PHE 3.670 0.108 10 0 "[ . 1 . 2]"
1 31 GLN 7.408 0.106 2 0 "[ . 1 . 2]"
1 32 LEU 3.631 0.101 8 0 "[ . 1 . 2]"
1 33 ALA 5.512 0.101 8 0 "[ . 1 . 2]"
1 34 MET 6.569 0.095 11 0 "[ . 1 . 2]"
1 35 GLY 4.066 0.100 5 0 "[ . 1 . 2]"
1 36 GLN 7.003 0.116 10 0 "[ . 1 . 2]"
1 37 LEU 6.607 0.116 10 0 "[ . 1 . 2]"
1 40 THR 2.038 0.089 1 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LEU 5.969 0.728 14 1 "[ . 1 +. 2]"
1 43 ILE 9.854 0.135 11 0 "[ . 1 . 2]"
1 44 LYS 13.214 0.465 5 0 "[ . 1 . 2]"
1 45 LEU 12.456 0.728 14 1 "[ . 1 +. 2]"
1 46 THR 11.739 0.404 14 0 "[ . 1 . 2]"
1 47 LYS 11.086 0.165 16 0 "[ . 1 . 2]"
1 48 ARG 1.471 0.112 15 0 "[ . 1 . 2]"
1 49 ASP 3.889 0.119 8 0 "[ . 1 . 2]"
1 50 ILE 11.432 0.165 16 0 "[ . 1 . 2]"
1 51 ALA 5.337 0.122 16 0 "[ . 1 . 2]"
1 52 ARG 8.559 0.305 15 0 "[ . 1 . 2]"
1 53 ILE 10.954 0.283 20 0 "[ . 1 . 2]"
1 54 LYS 12.348 0.283 20 0 "[ . 1 . 2]"
1 55 THR 6.098 0.131 5 0 "[ . 1 . 2]"
1 56 ILE 14.371 0.857 7 2 "[ . + 1 . -]"
1 57 LEU 3.920 0.123 20 0 "[ . 1 . 2]"
1 58 ARG 16.781 0.853 2 6 "[*+ . 1 * * **]"
1 59 GLU 9.357 0.853 2 6 "[*+ . 1 * - **]"
1 60 ARG 6.981 0.857 7 2 "[ . + 1 . *]"
1 61 GLU 3.074 0.483 2 0 "[ . 1 . 2]"
1 62 LEU 10.836 0.665 19 3 "[ - . 1 * . +2]"
1 63 GLY 2.593 0.312 9 0 "[ . 1 . 2]"
1 64 ILE 9.252 0.312 9 0 "[ . 1 . 2]"
1 65 ARG 5.594 0.259 14 0 "[ . 1 . 2]"
1 66 ARG 4.139 0.259 14 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 3 ALA HA 1 5 GLU H . . 5.500 3.568 3.134 3.852 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA HA 1 6 LEU H . . 5.170 3.252 2.641 3.562 . 0 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 6 LEU HB2 . . 3.200 3.059 2.458 3.282 0.082 12 0 "[ . 1 . 2]" 1
4 1 3 ALA HA 1 6 LEU HB3 . . 5.240 4.653 4.030 4.958 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 6 LEU QD . . 3.540 3.324 2.936 3.587 0.047 17 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 56 ILE MD . . 4.070 3.693 3.231 4.133 0.063 4 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 SER HA . . 4.460 3.652 3.194 4.194 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA MB 1 5 GLU HG2 . . 4.680 3.873 2.991 4.763 0.083 20 0 "[ . 1 . 2]" 1
9 1 3 ALA MB 1 5 GLU HG3 . . 4.530 4.323 3.524 4.777 0.247 13 0 "[ . 1 . 2]" 1
10 1 3 ALA MB 1 6 LEU H . . 5.310 2.657 1.993 3.531 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA MB 1 6 LEU HB2 . . 3.350 2.227 1.977 2.769 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA MB 1 6 LEU HB3 . . 3.110 3.129 2.834 3.223 0.113 2 0 "[ . 1 . 2]" 1
13 1 3 ALA MB 1 7 ARG HB3 . . 4.120 2.974 2.504 3.739 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA MB 1 7 ARG QG . . 3.750 3.366 2.446 3.882 0.132 2 0 "[ . 1 . 2]" 1
15 1 3 ALA MB 1 56 ILE MD . . 4.800 1.949 1.723 2.330 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 7 ARG H . . 5.500 3.904 3.512 3.984 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 7 ARG QD . . 4.500 3.926 2.957 4.598 0.098 14 0 "[ . 1 . 2]" 1
18 1 4 SER HB2 1 5 GLU H . . 5.500 2.982 2.288 4.215 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU H 1 5 GLU QB . . 3.860 2.610 2.396 2.919 . 0 0 "[ . 1 . 2]" 1
20 1 5 GLU H 1 5 GLU HG2 . . 4.960 2.091 1.717 2.444 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 6 LEU H . . 4.930 2.662 2.175 3.028 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU H 1 6 LEU HB2 . . 4.770 4.491 3.892 4.801 0.031 8 0 "[ . 1 . 2]" 1
23 1 5 GLU HA 1 5 GLU HG2 . . 3.690 3.728 3.681 3.762 0.072 16 0 "[ . 1 . 2]" 1
24 1 5 GLU HA 1 7 ARG H . . 4.750 4.420 3.913 4.835 0.085 19 0 "[ . 1 . 2]" 1
25 1 5 GLU HA 1 8 ASN H . . 5.050 3.759 3.124 4.273 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU QB 1 5 GLU HG2 . . 2.440 2.437 2.278 2.513 0.073 12 0 "[ . 1 . 2]" 1
27 1 5 GLU QB 1 5 GLU HG3 . . 2.440 2.330 2.229 2.487 0.047 16 0 "[ . 1 . 2]" 1
28 1 5 GLU QB 1 6 LEU H . . 4.090 3.274 2.961 3.647 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU QB 1 7 ARG H . . 5.330 5.066 4.807 5.399 0.069 19 0 "[ . 1 . 2]" 1
30 1 5 GLU QB 1 8 ASN H . . 5.500 4.952 4.563 5.395 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HG2 1 6 LEU H . . 4.490 2.325 1.752 3.201 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU HG2 1 6 LEU HB2 . . 5.100 3.824 3.123 4.518 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU HG2 1 6 LEU QD . . 4.840 3.484 2.184 4.266 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLU HG3 1 6 LEU H . . 4.380 2.240 1.678 2.722 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU HG3 1 6 LEU QD . . 4.540 2.709 1.895 3.555 . 0 0 "[ . 1 . 2]" 1
36 1 5 GLU HG3 1 6 LEU HG . . 4.900 3.118 2.090 4.847 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU H 1 6 LEU HB2 . . 3.550 2.162 2.022 2.312 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU H 1 6 LEU QD . . 4.020 3.019 2.196 3.381 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU H 1 6 LEU HG . . 4.430 3.282 2.545 4.500 0.070 19 0 "[ . 1 . 2]" 1
40 1 6 LEU H 1 8 ASN H . . 5.370 3.854 3.410 4.172 . 0 0 "[ . 1 . 2]" 1
41 1 6 LEU H 1 8 ASN HB2 . . 5.500 4.898 4.187 5.561 0.061 17 0 "[ . 1 . 2]" 1
42 1 6 LEU H 1 9 TYR QE . . 5.500 4.947 4.099 5.584 0.084 3 0 "[ . 1 . 2]" 1
43 1 6 LEU HA 1 6 LEU QD . . 2.770 2.136 1.908 2.437 . 0 0 "[ . 1 . 2]" 1
44 1 6 LEU HA 1 6 LEU HG . . 3.810 2.933 2.559 3.655 . 0 0 "[ . 1 . 2]" 1
45 1 6 LEU HA 1 8 ASN H . . 3.960 3.603 3.367 3.967 0.007 6 0 "[ . 1 . 2]" 1
46 1 6 LEU HA 1 9 TYR H . . 4.360 4.097 3.605 4.432 0.072 6 0 "[ . 1 . 2]" 1
47 1 6 LEU HA 1 9 TYR QB . . 4.170 4.269 4.239 4.282 0.112 4 0 "[ . 1 . 2]" 1
48 1 6 LEU HA 1 9 TYR QD . . 3.580 2.657 2.273 3.388 . 0 0 "[ . 1 . 2]" 1
49 1 6 LEU HA 1 9 TYR QE . . 4.100 3.214 2.142 4.174 0.074 3 0 "[ . 1 . 2]" 1
50 1 6 LEU HB2 1 6 LEU QD . . 3.120 2.153 1.957 2.349 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU HB2 1 52 ARG QD . . 4.460 4.233 3.834 4.555 0.095 18 0 "[ . 1 . 2]" 1
52 1 6 LEU HB2 1 56 ILE MD . . 3.340 2.997 2.497 3.426 0.086 16 0 "[ . 1 . 2]" 1
53 1 6 LEU HB2 1 56 ILE MG . . 3.920 3.817 3.363 4.017 0.097 16 0 "[ . 1 . 2]" 1
54 1 6 LEU HB3 1 6 LEU QD . . 3.240 2.271 2.102 2.625 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU HB3 1 7 ARG H . . 3.780 3.669 3.009 3.873 0.093 14 0 "[ . 1 . 2]" 1
56 1 6 LEU HB3 1 8 ASN H . . 5.500 5.044 4.615 5.301 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU HB3 1 52 ARG QD . . 4.700 4.537 4.230 4.761 0.061 6 0 "[ . 1 . 2]" 1
58 1 6 LEU HB3 1 53 ILE HA . . 4.740 4.339 3.926 4.740 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU QD 1 7 ARG H . . 5.440 4.309 3.944 4.500 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU QD 1 8 ASN H . . 5.500 4.908 4.527 5.195 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU QD 1 9 TYR QD . . 3.860 3.449 2.959 3.898 0.038 4 0 "[ . 1 . 2]" 1
62 1 6 LEU QD 1 9 TYR QE . . 3.740 3.143 2.295 3.799 0.059 3 0 "[ . 1 . 2]" 1
63 1 6 LEU QD 1 52 ARG QB . . 4.090 3.902 3.484 3.984 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU QD 1 52 ARG QD . . 3.950 2.098 1.793 2.620 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QD 1 53 ILE H . . 4.120 3.786 3.402 4.003 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU QD 1 53 ILE HA . . 3.760 2.576 1.966 3.161 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU QD 1 53 ILE MD . . 4.200 2.551 2.193 2.961 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 53 ILE HG12 . . 4.900 2.178 1.867 2.612 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QD 1 53 ILE HG13 . . 3.480 1.998 1.791 2.251 . 0 0 "[ . 1 . 2]" 1
70 1 7 ARG H 1 7 ARG HB2 . . 3.120 2.833 2.326 3.590 0.470 1 0 "[ . 1 . 2]" 1
71 1 7 ARG H 1 7 ARG HB3 . . 3.490 2.542 2.100 2.798 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG H 1 7 ARG QD . . 4.350 4.057 3.397 4.411 0.061 13 0 "[ . 1 . 2]" 1
73 1 7 ARG H 1 7 ARG QG . . 3.810 3.401 1.952 3.929 0.119 14 0 "[ . 1 . 2]" 1
74 1 7 ARG H 1 8 ASN H . . 3.470 2.286 2.080 2.613 . 0 0 "[ . 1 . 2]" 1
75 1 7 ARG H 1 8 ASN HA . . 5.170 4.728 4.447 5.036 . 0 0 "[ . 1 . 2]" 1
76 1 7 ARG H 1 8 ASN HB2 . . 4.820 4.115 3.456 4.527 . 0 0 "[ . 1 . 2]" 1
77 1 7 ARG H 1 56 ILE MD . . 4.770 3.831 3.365 4.058 . 0 0 "[ . 1 . 2]" 1
78 1 7 ARG H 1 56 ILE MG . . 5.500 4.341 4.022 4.637 . 0 0 "[ . 1 . 2]" 1
79 1 7 ARG HA 1 7 ARG QD . . 4.500 3.707 3.448 4.157 . 0 0 "[ . 1 . 2]" 1
80 1 7 ARG HA 1 7 ARG QG . . 3.570 2.612 2.105 3.621 0.051 1 0 "[ . 1 . 2]" 1
81 1 7 ARG HA 1 9 TYR H . . 4.520 3.959 3.111 4.586 0.066 10 0 "[ . 1 . 2]" 1
82 1 7 ARG HA 1 56 ILE MD . . 4.080 3.967 3.624 4.145 0.065 2 0 "[ . 1 . 2]" 1
83 1 7 ARG HA 1 56 ILE MG . . 3.560 3.359 2.880 3.672 0.112 14 0 "[ . 1 . 2]" 1
84 1 7 ARG HB2 1 7 ARG QD . . 3.830 2.941 2.144 3.301 . 0 0 "[ . 1 . 2]" 1
85 1 7 ARG HB2 1 8 ASN H . . 4.470 4.219 3.989 4.404 . 0 0 "[ . 1 . 2]" 1
86 1 7 ARG HB2 1 56 ILE MD . . 5.030 3.529 2.461 4.667 . 0 0 "[ . 1 . 2]" 1
87 1 7 ARG HB3 1 7 ARG QD . . 3.390 2.527 2.050 3.445 0.055 10 0 "[ . 1 . 2]" 1
88 1 7 ARG HB3 1 7 ARG QG . . 2.790 2.408 2.118 2.567 . 0 0 "[ . 1 . 2]" 1
89 1 7 ARG HB3 1 8 ASN H . . 4.180 3.682 3.037 4.320 0.140 9 0 "[ . 1 . 2]" 1
90 1 7 ARG QD 1 8 ASN HA . . 3.970 3.426 2.495 4.046 0.076 8 0 "[ . 1 . 2]" 1
91 1 7 ARG QG 1 8 ASN H . . 4.720 4.123 2.652 4.609 . 0 0 "[ . 1 . 2]" 1
92 1 7 ARG QG 1 8 ASN HA . . 4.830 4.647 3.566 4.929 0.099 16 0 "[ . 1 . 2]" 1
93 1 7 ARG QG 1 56 ILE MD . . 4.200 4.012 3.432 4.320 0.120 15 0 "[ . 1 . 2]" 1
94 1 8 ASN H 1 8 ASN HB2 . . 3.260 2.423 2.065 2.906 . 0 0 "[ . 1 . 2]" 1
95 1 8 ASN H 1 8 ASN HB3 . . 3.410 2.930 2.405 3.504 0.094 4 0 "[ . 1 . 2]" 1
96 1 8 ASN H 1 9 TYR QB . . 4.990 4.456 4.115 4.719 . 0 0 "[ . 1 . 2]" 1
97 1 8 ASN H 1 9 TYR QE . . 5.500 5.023 4.440 5.569 0.069 10 0 "[ . 1 . 2]" 1
98 1 8 ASN H 1 56 ILE MD . . 5.500 5.604 5.517 5.630 0.130 2 0 "[ . 1 . 2]" 1
99 1 8 ASN HA 1 8 ASN HB3 . . 3.060 2.966 2.523 3.072 0.012 14 0 "[ . 1 . 2]" 1
100 1 8 ASN HB2 1 9 TYR H . . 4.650 4.031 2.994 4.438 . 0 0 "[ . 1 . 2]" 1
101 1 8 ASN HB3 1 9 TYR H . . 4.800 3.402 2.657 3.923 . 0 0 "[ . 1 . 2]" 1
102 1 8 ASN HB3 1 9 TYR HA . . 4.730 4.090 3.716 4.543 . 0 0 "[ . 1 . 2]" 1
103 1 9 TYR H 1 9 TYR QB . . 2.870 2.173 2.033 2.496 . 0 0 "[ . 1 . 2]" 1
104 1 9 TYR H 1 9 TYR QE . . 4.960 4.583 4.088 5.020 0.060 13 0 "[ . 1 . 2]" 1
105 1 9 TYR H 1 10 THR H . . 4.630 4.592 4.382 4.685 0.055 7 0 "[ . 1 . 2]" 1
106 1 9 TYR H 1 13 GLU HB3 . . 5.370 5.439 5.274 5.466 0.096 4 0 "[ . 1 . 2]" 1
107 1 9 TYR H 1 14 LEU H . . 5.500 5.579 5.546 5.596 0.096 3 0 "[ . 1 . 2]" 1
108 1 9 TYR H 1 14 LEU QD . . 4.170 2.111 1.825 2.641 . 0 0 "[ . 1 . 2]" 1
109 1 9 TYR H 1 14 LEU HG . . 4.840 4.232 3.482 5.006 0.166 20 0 "[ . 1 . 2]" 1
110 1 9 TYR HA 1 9 TYR QD . . 4.080 2.633 2.147 2.949 . 0 0 "[ . 1 . 2]" 1
111 1 9 TYR HA 1 10 THR H . . 2.910 2.542 2.382 2.812 . 0 0 "[ . 1 . 2]" 1
112 1 9 TYR HA 1 10 THR MG . . 5.050 3.770 3.363 4.065 . 0 0 "[ . 1 . 2]" 1
113 1 9 TYR HA 1 13 GLU HB2 . . 3.980 3.703 3.355 3.961 . 0 0 "[ . 1 . 2]" 1
114 1 9 TYR HA 1 13 GLU HB3 . . 4.080 4.007 3.789 4.165 0.085 3 0 "[ . 1 . 2]" 1
115 1 9 TYR HA 1 14 LEU QD . . 3.660 3.547 3.237 3.648 . 0 0 "[ . 1 . 2]" 1
116 1 9 TYR QB 1 10 THR H . . 3.290 2.555 2.202 2.876 . 0 0 "[ . 1 . 2]" 1
117 1 9 TYR QB 1 13 GLU H . . 4.370 4.006 3.732 4.182 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR QB 1 13 GLU HB2 . . 2.820 2.264 2.064 2.521 . 0 0 "[ . 1 . 2]" 1
119 1 9 TYR QB 1 13 GLU HB3 . . 3.270 2.122 1.937 2.234 . 0 0 "[ . 1 . 2]" 1
120 1 9 TYR QB 1 13 GLU HG2 . . 4.450 4.507 4.099 4.799 0.349 18 0 "[ . 1 . 2]" 1
121 1 9 TYR QB 1 14 LEU H . . 3.750 2.999 2.769 3.193 . 0 0 "[ . 1 . 2]" 1
122 1 9 TYR QB 1 14 LEU HA . . 4.610 2.828 2.533 3.364 . 0 0 "[ . 1 . 2]" 1
123 1 9 TYR QB 1 14 LEU HB2 . . 4.370 4.229 4.037 4.429 0.059 12 0 "[ . 1 . 2]" 1
124 1 9 TYR QB 1 14 LEU HB3 . . 4.700 4.350 3.962 4.784 0.084 5 0 "[ . 1 . 2]" 1
125 1 9 TYR QB 1 14 LEU QD . . 3.050 1.840 1.614 1.939 . 0 0 "[ . 1 . 2]" 1
126 1 9 TYR QB 1 15 LYS H . . 5.500 5.295 5.048 5.583 0.083 14 0 "[ . 1 . 2]" 1
127 1 9 TYR QD 1 10 THR MG . . 4.640 4.706 4.331 4.765 0.125 14 0 "[ . 1 . 2]" 1
128 1 9 TYR QD 1 13 GLU HB2 . . 4.130 3.415 2.846 4.188 0.058 3 0 "[ . 1 . 2]" 1
129 1 9 TYR QD 1 13 GLU HB3 . . 4.780 2.638 2.115 3.624 . 0 0 "[ . 1 . 2]" 1
130 1 9 TYR QD 1 14 LEU QD . . 4.050 2.805 2.187 3.362 . 0 0 "[ . 1 . 2]" 1
131 1 10 THR H 1 10 THR MG . . 2.910 2.395 2.109 2.727 . 0 0 "[ . 1 . 2]" 1
132 1 10 THR H 1 11 ASP H . . 5.030 4.637 4.532 4.716 . 0 0 "[ . 1 . 2]" 1
133 1 10 THR H 1 13 GLU H . . 4.340 3.352 3.159 3.554 . 0 0 "[ . 1 . 2]" 1
134 1 10 THR H 1 13 GLU HA . . 5.140 4.936 4.697 5.139 . 0 0 "[ . 1 . 2]" 1
135 1 10 THR H 1 13 GLU HB2 . . 3.700 1.940 1.690 2.183 . 0 0 "[ . 1 . 2]" 1
136 1 10 THR H 1 13 GLU HB3 . . 3.500 3.276 2.968 3.505 0.005 7 0 "[ . 1 . 2]" 1
137 1 10 THR H 1 13 GLU HG2 . . 4.680 4.180 3.556 4.805 0.125 10 0 "[ . 1 . 2]" 1
138 1 10 THR H 1 13 GLU HG3 . . 4.760 3.232 2.711 3.639 . 0 0 "[ . 1 . 2]" 1
139 1 10 THR H 1 14 LEU H . . 4.900 3.790 3.548 4.118 . 0 0 "[ . 1 . 2]" 1
140 1 10 THR H 1 14 LEU QD . . 5.370 3.574 2.873 4.020 . 0 0 "[ . 1 . 2]" 1
141 1 10 THR HA 1 10 THR MG . . 3.000 2.394 2.254 2.508 . 0 0 "[ . 1 . 2]" 1
142 1 10 THR HA 1 11 ASP H . . 3.130 2.451 2.292 2.570 . 0 0 "[ . 1 . 2]" 1
143 1 10 THR HA 1 13 GLU HB2 . . 4.430 4.401 4.127 4.516 0.086 3 0 "[ . 1 . 2]" 1
144 1 10 THR HA 1 14 LEU H . . 5.500 4.806 4.500 4.970 . 0 0 "[ . 1 . 2]" 1
145 1 10 THR HA 1 14 LEU QD . . 4.230 3.125 2.752 3.399 . 0 0 "[ . 1 . 2]" 1
146 1 10 THR HB 1 11 ASP H . . 3.110 2.780 2.322 3.179 0.069 3 0 "[ . 1 . 2]" 1
147 1 10 THR HB 1 12 GLU H . . 3.590 3.032 2.660 3.471 . 0 0 "[ . 1 . 2]" 1
148 1 10 THR HB 1 12 GLU QB . . 4.150 3.755 2.928 4.143 . 0 0 "[ . 1 . 2]" 1
149 1 10 THR HB 1 13 GLU H . . 4.160 3.710 3.469 4.236 0.076 6 0 "[ . 1 . 2]" 1
150 1 10 THR HB 1 14 LEU H . . 5.500 5.148 4.987 5.433 . 0 0 "[ . 1 . 2]" 1
151 1 10 THR HB 1 14 LEU QD . . 4.510 4.475 4.332 4.530 0.020 4 0 "[ . 1 . 2]" 1
152 1 10 THR MG 1 11 ASP H . . 4.290 3.971 3.690 4.284 . 0 0 "[ . 1 . 2]" 1
153 1 10 THR MG 1 12 GLU QB . . 4.780 4.429 3.963 4.710 . 0 0 "[ . 1 . 2]" 1
154 1 10 THR MG 1 13 GLU H . . 4.330 4.136 3.785 4.428 0.098 1 0 "[ . 1 . 2]" 1
155 1 10 THR MG 1 13 GLU HB3 . . 5.120 4.876 4.418 5.165 0.045 1 0 "[ . 1 . 2]" 1
156 1 10 THR MG 1 13 GLU HG2 . . 5.190 4.539 3.733 5.312 0.122 10 0 "[ . 1 . 2]" 1
157 1 10 THR MG 1 13 GLU HG3 . . 5.220 3.602 2.911 4.093 . 0 0 "[ . 1 . 2]" 1
158 1 11 ASP H 1 11 ASP HB2 . . 3.480 2.404 2.035 2.741 . 0 0 "[ . 1 . 2]" 1
159 1 11 ASP H 1 11 ASP HB3 . . 3.600 3.538 3.264 3.663 0.063 3 0 "[ . 1 . 2]" 1
160 1 11 ASP H 1 12 GLU H . . 3.620 2.995 2.756 3.217 . 0 0 "[ . 1 . 2]" 1
161 1 11 ASP H 1 12 GLU HA . . 5.500 5.545 5.439 5.599 0.099 19 0 "[ . 1 . 2]" 1
162 1 11 ASP H 1 13 GLU H . . 5.070 4.490 4.202 4.776 . 0 0 "[ . 1 . 2]" 1
163 1 11 ASP H 1 14 LEU H . . 5.050 4.653 4.365 4.841 . 0 0 "[ . 1 . 2]" 1
164 1 11 ASP H 1 14 LEU HB2 . . 5.500 4.694 3.896 5.171 . 0 0 "[ . 1 . 2]" 1
165 1 11 ASP H 1 14 LEU QD . . 5.170 2.937 2.489 3.296 . 0 0 "[ . 1 . 2]" 1
166 1 11 ASP H 1 14 LEU HG . . 5.160 5.027 4.679 5.317 0.157 20 0 "[ . 1 . 2]" 1
167 1 11 ASP HA 1 13 GLU H . . 4.870 4.674 4.278 4.934 0.064 14 0 "[ . 1 . 2]" 1
168 1 11 ASP HB2 1 12 GLU H . . 3.470 2.958 2.300 3.534 0.064 8 0 "[ . 1 . 2]" 1
169 1 11 ASP HB2 1 13 GLU H . . 5.500 5.381 4.821 5.582 0.082 17 0 "[ . 1 . 2]" 1
170 1 11 ASP HB2 1 14 LEU QD . . 4.550 4.191 3.699 4.495 . 0 0 "[ . 1 . 2]" 1
171 1 11 ASP HB3 1 12 GLU H . . 3.500 3.507 3.065 3.582 0.082 14 0 "[ . 1 . 2]" 1
172 1 11 ASP HB3 1 12 GLU HA . . 4.750 4.292 4.000 4.546 . 0 0 "[ . 1 . 2]" 1
173 1 11 ASP HB3 1 14 LEU QD . . 4.240 4.197 3.999 4.316 0.076 7 0 "[ . 1 . 2]" 1
174 1 11 ASP HB3 1 15 LYS H . . 5.500 5.233 4.549 5.573 0.073 11 0 "[ . 1 . 2]" 1
175 1 12 GLU H 1 12 GLU QB . . 3.240 2.194 2.101 2.349 . 0 0 "[ . 1 . 2]" 1
176 1 12 GLU H 1 12 GLU QG . . 3.980 3.492 2.552 4.044 0.064 13 0 "[ . 1 . 2]" 1
177 1 12 GLU H 1 13 GLU H . . 3.440 2.632 2.349 2.812 . 0 0 "[ . 1 . 2]" 1
178 1 12 GLU H 1 14 LEU H . . 4.320 3.871 3.535 4.151 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLU HA 1 12 GLU QG . . 3.650 2.348 2.133 2.882 . 0 0 "[ . 1 . 2]" 1
180 1 12 GLU HA 1 16 ASN QB . . 4.640 4.452 3.987 4.717 0.077 13 0 "[ . 1 . 2]" 1
181 1 12 GLU QB 1 13 GLU H . . 3.690 2.576 2.207 2.944 . 0 0 "[ . 1 . 2]" 1
182 1 12 GLU QG 1 13 GLU H . . 4.480 4.150 3.482 4.551 0.071 16 0 "[ . 1 . 2]" 1
183 1 12 GLU QG 1 15 LYS QD . . 3.630 3.367 2.632 3.739 0.109 14 0 "[ . 1 . 2]" 1
184 1 12 GLU QG 1 15 LYS QG . . 4.820 3.783 3.120 4.324 . 0 0 "[ . 1 . 2]" 1
185 1 13 GLU H 1 13 GLU HB2 . . 3.280 2.197 2.005 2.329 . 0 0 "[ . 1 . 2]" 1
186 1 13 GLU H 1 13 GLU HB3 . . 3.500 3.498 3.366 3.562 0.062 17 0 "[ . 1 . 2]" 1
187 1 13 GLU H 1 13 GLU HG2 . . 3.870 3.130 2.554 3.644 . 0 0 "[ . 1 . 2]" 1
188 1 13 GLU H 1 13 GLU HG3 . . 3.560 3.317 2.374 3.925 0.365 13 0 "[ . 1 . 2]" 1
189 1 13 GLU H 1 14 LEU H . . 3.420 2.522 2.262 2.673 . 0 0 "[ . 1 . 2]" 1
190 1 13 GLU H 1 14 LEU QD . . 5.500 4.205 3.660 4.510 . 0 0 "[ . 1 . 2]" 1
191 1 13 GLU H 1 15 LYS H . . 4.860 4.555 4.159 4.771 . 0 0 "[ . 1 . 2]" 1
192 1 13 GLU H 1 16 ASN H . . 5.500 4.778 4.619 4.956 . 0 0 "[ . 1 . 2]" 1
193 1 13 GLU H 1 16 ASN QB . . 5.200 4.631 4.328 4.876 . 0 0 "[ . 1 . 2]" 1
194 1 13 GLU HA 1 13 GLU HG2 . . 3.650 2.499 2.012 2.851 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLU HA 1 13 GLU HG3 . . 3.610 3.461 2.871 3.718 0.108 8 0 "[ . 1 . 2]" 1
196 1 13 GLU HA 1 16 ASN H . . 3.880 3.462 3.205 3.709 . 0 0 "[ . 1 . 2]" 1
197 1 13 GLU HA 1 16 ASN QB . . 3.170 2.472 2.035 2.778 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLU HB2 1 14 LEU H . . 3.290 2.793 2.404 3.243 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLU HB3 1 14 LEU H . . 3.950 3.446 3.007 3.880 . 0 0 "[ . 1 . 2]" 1
200 1 13 GLU HG2 1 14 LEU H . . 4.920 4.788 4.508 5.080 0.160 7 0 "[ . 1 . 2]" 1
201 1 14 LEU H 1 14 LEU HB2 . . 3.260 2.416 2.219 2.531 . 0 0 "[ . 1 . 2]" 1
202 1 14 LEU H 1 14 LEU HB3 . . 3.700 3.589 3.492 3.666 . 0 0 "[ . 1 . 2]" 1
203 1 14 LEU H 1 14 LEU QD . . 3.640 2.858 2.127 3.153 . 0 0 "[ . 1 . 2]" 1
204 1 14 LEU H 1 15 LYS H . . 3.490 2.953 2.772 3.207 . 0 0 "[ . 1 . 2]" 1
205 1 14 LEU H 1 15 LYS QG . . 4.010 3.987 3.926 4.017 0.007 2 0 "[ . 1 . 2]" 1
206 1 14 LEU H 1 16 ASN H . . 4.590 4.072 3.871 4.270 . 0 0 "[ . 1 . 2]" 1
207 1 14 LEU H 1 16 ASN QB . . 4.730 4.753 4.568 4.838 0.108 3 0 "[ . 1 . 2]" 1
208 1 14 LEU HA 1 14 LEU QD . . 2.820 2.141 1.926 2.404 . 0 0 "[ . 1 . 2]" 1
209 1 14 LEU HA 1 14 LEU HG . . 4.110 3.222 2.742 3.783 . 0 0 "[ . 1 . 2]" 1
210 1 14 LEU HA 1 17 LEU H . . 3.700 3.732 3.469 3.788 0.088 10 0 "[ . 1 . 2]" 1
211 1 14 LEU HA 1 17 LEU QB . . 3.920 2.942 2.483 3.839 . 0 0 "[ . 1 . 2]" 1
212 1 14 LEU HB2 1 14 LEU QD . . 3.260 2.277 2.168 2.350 . 0 0 "[ . 1 . 2]" 1
213 1 14 LEU HB2 1 15 LYS H . . 3.630 2.461 2.230 3.094 . 0 0 "[ . 1 . 2]" 1
214 1 14 LEU HB3 1 15 LYS H . . 3.790 3.174 2.803 3.859 0.069 11 0 "[ . 1 . 2]" 1
215 1 14 LEU HB3 1 17 LEU H . . 5.500 5.268 4.832 5.600 0.100 11 0 "[ . 1 . 2]" 1
216 1 15 LYS H 1 15 LYS QB . . 2.920 2.643 2.482 2.939 0.019 11 0 "[ . 1 . 2]" 1
217 1 15 LYS H 1 15 LYS QD . . 4.040 3.731 3.384 4.123 0.083 19 0 "[ . 1 . 2]" 1
218 1 15 LYS H 1 15 LYS QG . . 3.750 1.981 1.855 2.108 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS H 1 16 ASN H . . 3.450 2.754 2.207 2.885 . 0 0 "[ . 1 . 2]" 1
220 1 15 LYS H 1 16 ASN QB . . 4.360 4.408 3.842 4.465 0.105 20 0 "[ . 1 . 2]" 1
221 1 15 LYS H 1 19 GLU H . . 5.500 5.573 5.306 5.599 0.099 10 0 "[ . 1 . 2]" 1
222 1 15 LYS H 1 57 LEU QD . . 4.830 4.440 3.702 4.869 0.039 6 0 "[ . 1 . 2]" 1
223 1 15 LYS HA 1 15 LYS QB . . 2.730 2.143 2.109 2.202 . 0 0 "[ . 1 . 2]" 1
224 1 15 LYS HA 1 18 LEU QB . . 3.550 3.129 2.818 3.559 0.009 11 0 "[ . 1 . 2]" 1
225 1 15 LYS HA 1 18 LEU QD . . 4.880 3.234 1.899 4.241 . 0 0 "[ . 1 . 2]" 1
226 1 15 LYS HA 1 18 LEU HG . . 3.910 3.285 2.542 4.002 0.092 18 0 "[ . 1 . 2]" 1
227 1 15 LYS HA 1 19 GLU H . . 3.920 3.252 2.979 3.448 . 0 0 "[ . 1 . 2]" 1
228 1 15 LYS HA 1 19 GLU QB . . 4.410 3.659 3.241 3.905 . 0 0 "[ . 1 . 2]" 1
229 1 15 LYS HA 1 57 LEU QD . . 3.110 2.805 2.331 3.190 0.080 6 0 "[ . 1 . 2]" 1
230 1 15 LYS QB 1 15 LYS QE . . 4.090 2.830 2.028 3.822 . 0 0 "[ . 1 . 2]" 1
231 1 15 LYS QB 1 15 LYS QG . . 2.430 2.048 2.004 2.127 . 0 0 "[ . 1 . 2]" 1
232 1 15 LYS QB 1 16 ASN H . . 3.400 3.419 3.216 3.481 0.081 2 0 "[ . 1 . 2]" 1
233 1 15 LYS QB 1 16 ASN QB . . 4.600 4.513 4.262 4.712 0.112 20 0 "[ . 1 . 2]" 1
234 1 15 LYS QB 1 17 LEU H . . 4.540 4.636 4.521 4.653 0.113 1 0 "[ . 1 . 2]" 1
235 1 15 LYS QB 1 19 GLU H . . 4.570 4.178 3.871 4.372 . 0 0 "[ . 1 . 2]" 1
236 1 15 LYS QD 1 16 ASN H . . 4.350 2.969 2.191 4.272 . 0 0 "[ . 1 . 2]" 1
237 1 15 LYS QD 1 19 GLU QG . . 5.190 4.402 3.457 5.296 0.106 16 0 "[ . 1 . 2]" 1
238 1 15 LYS QE 1 16 ASN HA . . 4.870 4.216 2.290 4.916 0.046 16 0 "[ . 1 . 2]" 1
239 1 15 LYS QG 1 16 ASN H . . 5.000 2.371 1.939 2.760 . 0 0 "[ . 1 . 2]" 1
240 1 16 ASN H 1 16 ASN QB . . 2.770 2.108 1.991 2.190 . 0 0 "[ . 1 . 2]" 1
241 1 16 ASN H 1 17 LEU H . . 3.460 2.717 2.594 2.807 . 0 0 "[ . 1 . 2]" 1
242 1 16 ASN H 1 18 LEU QD . . 5.180 4.873 4.484 5.084 . 0 0 "[ . 1 . 2]" 1
243 1 16 ASN H 1 19 GLU QB . . 5.230 4.923 4.680 5.071 . 0 0 "[ . 1 . 2]" 1
244 1 16 ASN HA 1 16 ASN QB . . 2.800 2.457 2.345 2.581 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASN HA 1 18 LEU H . . 5.080 4.641 4.385 4.855 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASN HA 1 19 GLU H . . 3.980 3.937 3.834 3.978 . 0 0 "[ . 1 . 2]" 1
247 1 16 ASN HA 1 19 GLU QB . . 3.530 3.616 3.548 3.643 0.113 12 0 "[ . 1 . 2]" 1
248 1 16 ASN HA 1 19 GLU QG . . 4.100 2.165 2.012 2.431 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASN HA 1 20 GLU H . . 4.440 4.250 3.358 4.529 0.089 3 0 "[ . 1 . 2]" 1
250 1 16 ASN QB 1 17 LEU H . . 3.280 3.207 3.026 3.324 0.044 17 0 "[ . 1 . 2]" 1
251 1 16 ASN QB 1 18 LEU H . . 4.940 5.008 4.875 5.038 0.098 17 0 "[ . 1 . 2]" 1
252 1 16 ASN QB 1 19 GLU H . . 5.460 5.382 5.290 5.480 0.020 14 0 "[ . 1 . 2]" 1
253 1 17 LEU H 1 17 LEU QB . . 3.090 2.355 2.154 2.754 . 0 0 "[ . 1 . 2]" 1
254 1 17 LEU H 1 17 LEU HG . . 4.460 4.297 2.400 4.534 0.074 4 0 "[ . 1 . 2]" 1
255 1 17 LEU H 1 18 LEU H . . 3.360 2.047 1.924 2.207 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU H 1 18 LEU QD . . 4.840 3.450 3.175 4.103 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU H 1 18 LEU HG . . 4.260 3.948 3.541 4.337 0.077 12 0 "[ . 1 . 2]" 1
258 1 17 LEU H 1 19 GLU H . . 5.200 3.394 3.213 3.625 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU H 1 19 GLU QB . . 4.620 4.709 4.682 4.733 0.113 11 0 "[ . 1 . 2]" 1
260 1 17 LEU H 1 19 GLU QG . . 5.500 3.895 3.655 4.503 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU HA 1 17 LEU QD . . 4.020 2.562 1.932 3.483 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU QB 1 18 LEU H . . 3.550 2.525 2.158 3.122 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU QB 1 18 LEU QB . . 5.360 4.367 3.948 4.796 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU QD 1 18 LEU QD . . 3.400 2.955 1.923 3.328 . 0 0 "[ . 1 . 2]" 1
265 1 18 LEU H 1 18 LEU QB . . 3.120 2.790 2.566 2.959 . 0 0 "[ . 1 . 2]" 1
266 1 18 LEU H 1 18 LEU QD . . 3.930 2.359 2.001 2.981 . 0 0 "[ . 1 . 2]" 1
267 1 18 LEU H 1 18 LEU HG . . 3.790 2.465 1.903 2.863 . 0 0 "[ . 1 . 2]" 1
268 1 18 LEU H 1 19 GLU H . . 3.520 2.479 2.328 2.617 . 0 0 "[ . 1 . 2]" 1
269 1 18 LEU H 1 19 GLU QG . . 4.630 4.243 3.948 4.588 . 0 0 "[ . 1 . 2]" 1
270 1 18 LEU H 1 53 ILE MG . . 3.820 3.804 3.514 3.928 0.108 1 0 "[ . 1 . 2]" 1
271 1 18 LEU H 1 57 LEU QD . . 5.090 4.592 4.094 5.114 0.024 11 0 "[ . 1 . 2]" 1
272 1 18 LEU HA 1 20 GLU H . . 4.760 3.946 3.758 4.230 . 0 0 "[ . 1 . 2]" 1
273 1 18 LEU HA 1 21 LYS H . . 4.040 3.268 2.921 3.586 . 0 0 "[ . 1 . 2]" 1
274 1 18 LEU HA 1 21 LYS HB2 . . 4.360 2.869 2.510 3.012 . 0 0 "[ . 1 . 2]" 1
275 1 18 LEU HA 1 21 LYS HB3 . . 4.450 4.510 4.159 4.540 0.090 9 0 "[ . 1 . 2]" 1
276 1 18 LEU HA 1 21 LYS HG3 . . 4.670 3.743 3.166 4.206 . 0 0 "[ . 1 . 2]" 1
277 1 18 LEU HA 1 22 LYS H . . 3.980 3.794 3.462 4.045 0.065 4 0 "[ . 1 . 2]" 1
278 1 18 LEU HA 1 53 ILE HG12 . . 4.850 4.367 3.865 4.935 0.085 13 0 "[ . 1 . 2]" 1
279 1 18 LEU HA 1 53 ILE MG . . 3.120 1.874 1.805 1.949 . 0 0 "[ . 1 . 2]" 1
280 1 18 LEU QB 1 19 GLU H . . 3.320 2.815 2.662 2.969 . 0 0 "[ . 1 . 2]" 1
281 1 18 LEU QB 1 53 ILE MG . . 2.970 2.139 2.021 2.247 . 0 0 "[ . 1 . 2]" 1
282 1 18 LEU QB 1 57 LEU QD . . 4.520 2.610 2.130 3.572 . 0 0 "[ . 1 . 2]" 1
283 1 18 LEU QD 1 19 GLU H . . 4.700 3.822 3.266 4.036 . 0 0 "[ . 1 . 2]" 1
284 1 18 LEU QD 1 19 GLU QG . . 5.400 5.241 4.981 5.324 . 0 0 "[ . 1 . 2]" 1
285 1 18 LEU QD 1 53 ILE HA . . 3.880 2.898 2.558 3.278 . 0 0 "[ . 1 . 2]" 1
286 1 18 LEU QD 1 57 LEU H . . 3.920 2.188 1.834 2.476 . 0 0 "[ . 1 . 2]" 1
287 1 18 LEU QD 1 57 LEU HB2 . . 3.250 2.105 1.812 2.484 . 0 0 "[ . 1 . 2]" 1
288 1 18 LEU HG 1 19 GLU H . . 4.490 4.095 3.608 4.549 0.059 5 0 "[ . 1 . 2]" 1
289 1 19 GLU H 1 19 GLU QB . . 2.820 2.259 2.105 2.370 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLU H 1 19 GLU QG . . 3.150 2.669 2.452 3.058 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLU H 1 20 GLU H . . 3.210 2.677 2.542 2.789 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLU H 1 21 LYS H . . 4.990 4.555 4.123 4.755 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLU HA 1 19 GLU QG . . 3.660 3.417 3.316 3.557 . 0 0 "[ . 1 . 2]" 1
294 1 19 GLU QG 1 20 GLU H . . 3.520 2.337 2.025 2.707 . 0 0 "[ . 1 . 2]" 1
295 1 19 GLU QG 1 20 GLU QB . . 3.270 3.200 2.950 3.365 0.095 16 0 "[ . 1 . 2]" 1
296 1 19 GLU QG 1 23 ARG QD . . 4.340 3.862 3.364 4.398 0.058 15 0 "[ . 1 . 2]" 1
297 1 20 GLU H 1 20 GLU QB . . 2.650 2.259 2.178 2.354 . 0 0 "[ . 1 . 2]" 1
298 1 20 GLU H 1 21 LYS H . . 3.200 2.829 2.379 3.020 . 0 0 "[ . 1 . 2]" 1
299 1 20 GLU H 1 22 LYS H . . 4.760 4.377 4.213 4.547 . 0 0 "[ . 1 . 2]" 1
300 1 20 GLU H 1 23 ARG QD . . 5.500 4.717 4.217 5.346 . 0 0 "[ . 1 . 2]" 1
301 1 20 GLU H 1 53 ILE MG . . 4.900 4.919 4.770 5.002 0.102 8 0 "[ . 1 . 2]" 1
302 1 20 GLU HA 1 20 GLU QB . . 2.790 2.373 2.265 2.449 . 0 0 "[ . 1 . 2]" 1
303 1 20 GLU HA 1 23 ARG QD . . 3.490 2.461 1.945 2.843 . 0 0 "[ . 1 . 2]" 1
304 1 20 GLU HA 1 23 ARG HG2 . . 3.620 2.067 1.982 2.286 . 0 0 "[ . 1 . 2]" 1
305 1 20 GLU QB 1 21 LYS H . . 3.490 2.518 2.360 2.841 . 0 0 "[ . 1 . 2]" 1
306 1 20 GLU QG 1 21 LYS H . . 4.890 3.676 3.116 4.089 . 0 0 "[ . 1 . 2]" 1
307 1 20 GLU QG 1 23 ARG QD . . 4.850 3.298 2.380 4.413 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLU QG 1 23 ARG HG2 . . 4.220 3.706 3.052 4.290 0.070 6 0 "[ . 1 . 2]" 1
309 1 20 GLU QG 1 24 GLN HG3 . . 2.400 2.428 2.249 2.502 0.102 18 0 "[ . 1 . 2]" 1
310 1 21 LYS H 1 21 LYS HB2 . . 3.400 2.348 2.192 2.492 . 0 0 "[ . 1 . 2]" 1
311 1 21 LYS H 1 21 LYS HB3 . . 3.820 3.473 3.382 3.561 . 0 0 "[ . 1 . 2]" 1
312 1 21 LYS H 1 21 LYS QD . . 4.390 3.389 2.860 3.769 . 0 0 "[ . 1 . 2]" 1
313 1 21 LYS H 1 21 LYS QE . . 5.140 4.659 4.312 4.852 . 0 0 "[ . 1 . 2]" 1
314 1 21 LYS H 1 21 LYS HG2 . . 3.410 2.052 1.815 2.328 . 0 0 "[ . 1 . 2]" 1
315 1 21 LYS H 1 21 LYS HG3 . . 4.010 3.408 3.221 3.595 . 0 0 "[ . 1 . 2]" 1
316 1 21 LYS H 1 22 LYS H . . 3.680 2.965 2.609 3.089 . 0 0 "[ . 1 . 2]" 1
317 1 21 LYS H 1 23 ARG H . . 4.900 4.358 4.212 4.462 . 0 0 "[ . 1 . 2]" 1
318 1 21 LYS H 1 50 ILE MD . . 4.670 4.786 4.717 4.802 0.132 9 0 "[ . 1 . 2]" 1
319 1 21 LYS H 1 50 ILE HG13 . . 4.780 4.822 4.694 4.856 0.076 1 0 "[ . 1 . 2]" 1
320 1 21 LYS H 1 53 ILE MG . . 5.410 3.609 3.433 3.997 . 0 0 "[ . 1 . 2]" 1
321 1 21 LYS HA 1 21 LYS QD . . 3.350 2.176 2.001 2.418 . 0 0 "[ . 1 . 2]" 1
322 1 21 LYS HA 1 21 LYS QE . . 4.390 3.463 2.942 3.942 . 0 0 "[ . 1 . 2]" 1
323 1 21 LYS HA 1 21 LYS HG2 . . 4.060 3.082 2.825 3.290 . 0 0 "[ . 1 . 2]" 1
324 1 21 LYS HA 1 21 LYS HG3 . . 4.140 3.793 3.724 3.845 . 0 0 "[ . 1 . 2]" 1
325 1 21 LYS HA 1 24 GLN H . . 4.130 3.540 3.326 3.688 . 0 0 "[ . 1 . 2]" 1
326 1 21 LYS HB2 1 22 LYS H . . 3.760 2.452 2.308 2.634 . 0 0 "[ . 1 . 2]" 1
327 1 21 LYS HB2 1 50 ILE MD . . 3.870 3.797 3.634 3.935 0.065 9 0 "[ . 1 . 2]" 1
328 1 21 LYS HB3 1 21 LYS QD . . 3.020 2.927 2.597 3.104 0.084 9 0 "[ . 1 . 2]" 1
329 1 21 LYS HB3 1 21 LYS QE . . 2.950 2.545 2.224 2.741 . 0 0 "[ . 1 . 2]" 1
330 1 21 LYS HB3 1 22 LYS H . . 3.810 3.454 3.218 3.682 . 0 0 "[ . 1 . 2]" 1
331 1 21 LYS HB3 1 49 ASP QB . . 4.780 4.078 3.596 4.486 . 0 0 "[ . 1 . 2]" 1
332 1 21 LYS HB3 1 50 ILE MD . . 3.790 2.401 2.219 2.577 . 0 0 "[ . 1 . 2]" 1
333 1 21 LYS HB3 1 50 ILE HG12 . . 4.400 3.820 3.666 3.967 . 0 0 "[ . 1 . 2]" 1
334 1 21 LYS QD 1 22 LYS H . . 5.150 5.076 4.935 5.209 0.059 19 0 "[ . 1 . 2]" 1
335 1 21 LYS QD 1 49 ASP QB . . 4.530 4.222 3.915 4.484 . 0 0 "[ . 1 . 2]" 1
336 1 21 LYS QE 1 21 LYS HG3 . . 3.600 2.239 1.998 2.398 . 0 0 "[ . 1 . 2]" 1
337 1 21 LYS QE 1 22 LYS H . . 5.500 5.553 5.389 5.600 0.100 8 0 "[ . 1 . 2]" 1
338 1 21 LYS QE 1 49 ASP H . . 4.790 4.788 4.602 4.883 0.093 18 0 "[ . 1 . 2]" 1
339 1 21 LYS QE 1 49 ASP HA . . 4.620 4.575 4.258 4.709 0.089 14 0 "[ . 1 . 2]" 1
340 1 21 LYS QE 1 49 ASP QB . . 3.970 2.227 1.871 2.471 . 0 0 "[ . 1 . 2]" 1
341 1 21 LYS QE 1 50 ILE H . . 5.500 4.007 3.471 4.224 . 0 0 "[ . 1 . 2]" 1
342 1 21 LYS QE 1 53 ILE MD . . 4.250 1.995 1.662 2.608 . 0 0 "[ . 1 . 2]" 1
343 1 21 LYS QE 1 53 ILE MG . . 3.920 3.775 3.212 4.028 0.108 9 0 "[ . 1 . 2]" 1
344 1 21 LYS HG2 1 22 LYS H . . 4.890 4.375 4.148 4.529 . 0 0 "[ . 1 . 2]" 1
345 1 21 LYS HG2 1 50 ILE MD . . 4.830 4.601 4.333 4.802 . 0 0 "[ . 1 . 2]" 1
346 1 21 LYS HG2 1 53 ILE MD . . 4.780 3.910 3.367 4.785 0.005 11 0 "[ . 1 . 2]" 1
347 1 21 LYS HG3 1 22 LYS H . . 5.050 4.820 4.679 4.991 . 0 0 "[ . 1 . 2]" 1
348 1 21 LYS HG3 1 49 ASP QB . . 4.760 4.287 3.667 4.699 . 0 0 "[ . 1 . 2]" 1
349 1 21 LYS HG3 1 50 ILE HA . . 4.530 4.382 4.097 4.597 0.067 8 0 "[ . 1 . 2]" 1
350 1 21 LYS HG3 1 53 ILE MD . . 3.930 2.433 1.962 3.348 . 0 0 "[ . 1 . 2]" 1
351 1 21 LYS HG3 1 53 ILE MG . . 3.860 2.233 2.033 2.581 . 0 0 "[ . 1 . 2]" 1
352 1 22 LYS H 1 23 ARG H . . 3.390 3.186 3.003 3.377 . 0 0 "[ . 1 . 2]" 1
353 1 22 LYS H 1 50 ILE HA . . 5.500 4.531 4.334 4.786 . 0 0 "[ . 1 . 2]" 1
354 1 22 LYS H 1 54 LYS QB . . 3.600 3.705 3.690 3.720 0.120 19 0 "[ . 1 . 2]" 1
355 1 22 LYS HA 1 54 LYS QB . . 3.360 3.447 3.189 3.476 0.116 14 0 "[ . 1 . 2]" 1
356 1 23 ARG H 1 23 ARG QB . . 2.620 2.637 2.314 2.692 0.072 8 0 "[ . 1 . 2]" 1
357 1 23 ARG H 1 23 ARG QD . . 4.000 3.910 3.582 4.110 0.110 2 0 "[ . 1 . 2]" 1
358 1 23 ARG H 1 23 ARG HG2 . . 3.600 2.258 2.014 2.516 . 0 0 "[ . 1 . 2]" 1
359 1 23 ARG H 1 23 ARG HG3 . . 3.870 3.424 3.050 3.609 . 0 0 "[ . 1 . 2]" 1
360 1 23 ARG H 1 24 GLN H . . 3.020 2.726 2.565 2.859 . 0 0 "[ . 1 . 2]" 1
361 1 23 ARG HA 1 23 ARG QB . . 2.620 2.147 2.118 2.210 . 0 0 "[ . 1 . 2]" 1
362 1 23 ARG HA 1 23 ARG HG2 . . 4.170 3.775 3.670 3.853 . 0 0 "[ . 1 . 2]" 1
363 1 23 ARG HA 1 23 ARG HG3 . . 4.010 3.838 3.735 3.902 . 0 0 "[ . 1 . 2]" 1
364 1 23 ARG HA 1 25 LEU H . . 4.780 4.481 4.247 4.670 . 0 0 "[ . 1 . 2]" 1
365 1 23 ARG HA 1 26 MET H . . 3.930 3.495 3.274 3.622 . 0 0 "[ . 1 . 2]" 1
366 1 23 ARG HA 1 26 MET QB . . 2.920 2.784 2.354 2.955 0.035 4 0 "[ . 1 . 2]" 1
367 1 23 ARG HA 1 26 MET QG . . 4.590 3.798 3.359 4.677 0.087 16 0 "[ . 1 . 2]" 1
368 1 23 ARG QB 1 23 ARG QD . . 2.890 2.369 2.273 2.548 . 0 0 "[ . 1 . 2]" 1
369 1 23 ARG QB 1 23 ARG HG2 . . 2.660 2.327 2.267 2.411 . 0 0 "[ . 1 . 2]" 1
370 1 23 ARG QB 1 24 GLN H . . 3.310 3.402 3.388 3.413 0.103 9 0 "[ . 1 . 2]" 1
371 1 23 ARG QD 1 24 GLN H . . 4.540 4.010 3.758 4.244 . 0 0 "[ . 1 . 2]" 1
372 1 23 ARG QD 1 24 GLN HG3 . . 4.800 4.614 3.991 4.883 0.083 19 0 "[ . 1 . 2]" 1
373 1 23 ARG HG2 1 24 GLN H . . 4.910 2.573 1.958 2.941 . 0 0 "[ . 1 . 2]" 1
374 1 23 ARG HG3 1 24 GLN H . . 5.130 2.230 2.055 2.352 . 0 0 "[ . 1 . 2]" 1
375 1 23 ARG HG3 1 24 GLN HA . . 3.440 3.253 2.817 3.426 . 0 0 "[ . 1 . 2]" 1
376 1 23 ARG HG3 1 24 GLN HB2 . . 4.150 4.181 3.994 4.231 0.081 9 0 "[ . 1 . 2]" 1
377 1 23 ARG HG3 1 24 GLN HB3 . . 4.980 5.029 4.935 5.063 0.083 19 0 "[ . 1 . 2]" 1
378 1 23 ARG HG3 1 24 GLN HG2 . . 3.710 3.448 2.953 3.803 0.093 9 0 "[ . 1 . 2]" 1
379 1 24 GLN H 1 24 GLN HB2 . . 3.210 2.291 2.151 2.352 . 0 0 "[ . 1 . 2]" 1
380 1 24 GLN H 1 24 GLN HB3 . . 3.400 3.483 3.443 3.490 0.090 7 0 "[ . 1 . 2]" 1
381 1 24 GLN H 1 24 GLN HG2 . . 3.500 3.256 2.850 3.551 0.051 9 0 "[ . 1 . 2]" 1
382 1 24 GLN H 1 24 GLN HG3 . . 4.290 2.957 2.632 3.338 . 0 0 "[ . 1 . 2]" 1
383 1 24 GLN H 1 25 LEU H . . 3.450 3.047 2.885 3.134 . 0 0 "[ . 1 . 2]" 1
384 1 24 GLN H 1 25 LEU HB3 . . 5.130 5.020 4.894 5.152 0.022 6 0 "[ . 1 . 2]" 1
385 1 24 GLN H 1 26 MET H . . 5.220 4.531 4.418 4.640 . 0 0 "[ . 1 . 2]" 1
386 1 24 GLN HA 1 24 GLN HB3 . . 2.910 2.646 2.572 2.795 . 0 0 "[ . 1 . 2]" 1
387 1 24 GLN HA 1 24 GLN HG2 . . 3.620 2.199 2.012 2.327 . 0 0 "[ . 1 . 2]" 1
388 1 24 GLN HA 1 24 GLN HG3 . . 3.330 3.317 3.009 3.416 0.086 10 0 "[ . 1 . 2]" 1
389 1 24 GLN HB2 1 25 LEU H . . 3.570 2.706 2.523 2.784 . 0 0 "[ . 1 . 2]" 1
390 1 24 GLN HB2 1 25 LEU HB3 . . 4.880 4.948 4.830 5.058 0.178 4 0 "[ . 1 . 2]" 1
391 1 24 GLN HB3 1 25 LEU H . . 3.590 3.136 2.771 3.331 . 0 0 "[ . 1 . 2]" 1
392 1 24 GLN HB3 1 28 LEU QD . . 4.350 2.457 2.323 2.655 . 0 0 "[ . 1 . 2]" 1
393 1 24 GLN HB3 1 46 THR MG . . 4.130 2.746 2.524 2.893 . 0 0 "[ . 1 . 2]" 1
394 1 24 GLN HG2 1 25 LEU H . . 5.310 4.937 4.799 5.057 . 0 0 "[ . 1 . 2]" 1
395 1 24 GLN HG2 1 28 LEU QD . . 5.020 3.520 3.095 3.852 . 0 0 "[ . 1 . 2]" 1
396 1 24 GLN HG2 1 46 THR MG . . 5.000 4.985 4.572 5.102 0.102 1 0 "[ . 1 . 2]" 1
397 1 24 GLN HG3 1 28 LEU QD . . 4.890 4.319 4.077 4.574 . 0 0 "[ . 1 . 2]" 1
398 1 24 GLN HG3 1 46 THR MG . . 4.750 4.817 4.638 4.867 0.117 9 0 "[ . 1 . 2]" 1
399 1 25 LEU H 1 25 LEU HB2 . . 3.330 2.584 2.134 2.746 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU H 1 25 LEU HB3 . . 3.200 2.315 2.200 2.466 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU H 1 25 LEU QD . . 4.170 3.716 3.560 3.774 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 26 MET H . . 3.480 2.860 2.666 2.995 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU H 1 27 GLU H . . 4.060 4.003 3.619 4.116 0.056 16 0 "[ . 1 . 2]" 1
404 1 25 LEU H 1 46 THR MG . . 3.690 3.355 3.210 3.729 0.039 4 0 "[ . 1 . 2]" 1
405 1 25 LEU H 1 50 ILE MD . . 3.930 2.779 1.940 3.091 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU H 1 50 ILE HG12 . . 4.930 2.922 2.656 3.332 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU HA 1 25 LEU QD . . 2.870 2.206 2.037 2.318 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HA 1 28 LEU QD . . 3.260 2.994 2.514 3.304 0.044 9 0 "[ . 1 . 2]" 1
409 1 25 LEU HA 1 50 ILE MD . . 4.380 3.516 3.118 3.875 . 0 0 "[ . 1 . 2]" 1
410 1 25 LEU HB2 1 26 MET H . . 3.910 3.858 3.481 3.985 0.075 11 0 "[ . 1 . 2]" 1
411 1 25 LEU HB2 1 46 THR MG . . 4.230 2.738 2.500 2.937 . 0 0 "[ . 1 . 2]" 1
412 1 25 LEU HB2 1 50 ILE HB . . 4.720 3.196 2.823 3.753 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU HB3 1 26 MET H . . 3.440 2.463 2.242 2.648 . 0 0 "[ . 1 . 2]" 1
414 1 25 LEU HB3 1 27 GLU H . . 4.700 4.742 4.373 4.789 0.089 9 0 "[ . 1 . 2]" 1
415 1 25 LEU HB3 1 46 THR MG . . 4.020 4.092 3.940 4.282 0.262 4 0 "[ . 1 . 2]" 1
416 1 25 LEU HB3 1 50 ILE MD . . 3.720 3.412 3.086 3.800 0.080 9 0 "[ . 1 . 2]" 1
417 1 25 LEU HB3 1 50 ILE HG12 . . 3.910 2.435 2.221 2.851 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU QD 1 26 MET H . . 4.710 3.176 2.353 3.633 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU QD 1 26 MET QG . . 5.320 3.464 2.067 5.154 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU QD 1 29 ARG QD . . 4.100 3.089 2.106 3.722 . 0 0 "[ . 1 . 2]" 1
421 1 25 LEU QD 1 46 THR H . . 4.800 4.758 4.411 4.852 0.052 16 0 "[ . 1 . 2]" 1
422 1 25 LEU QD 1 46 THR HB . . 3.490 3.329 2.923 3.555 0.065 19 0 "[ . 1 . 2]" 1
423 1 25 LEU QD 1 47 LYS H . . 3.550 3.078 2.835 3.339 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU QD 1 47 LYS HA . . 3.050 2.600 2.142 3.096 0.046 16 0 "[ . 1 . 2]" 1
425 1 25 LEU QD 1 47 LYS QB . . 4.020 2.439 1.821 3.693 . 0 0 "[ . 1 . 2]" 1
426 1 25 LEU QD 1 47 LYS QE . . 4.100 2.770 1.880 4.037 . 0 0 "[ . 1 . 2]" 1
427 1 25 LEU QD 1 50 ILE HG12 . . 4.190 3.300 2.888 3.768 . 0 0 "[ . 1 . 2]" 1
428 1 26 MET H 1 26 MET QB . . 2.960 2.278 1.951 2.516 . 0 0 "[ . 1 . 2]" 1
429 1 26 MET H 1 26 MET QG . . 3.550 2.760 2.009 3.776 0.226 20 0 "[ . 1 . 2]" 1
430 1 26 MET H 1 27 GLU H . . 3.280 2.654 2.504 2.988 . 0 0 "[ . 1 . 2]" 1
431 1 26 MET H 1 28 LEU H . . 4.910 4.334 4.102 4.573 . 0 0 "[ . 1 . 2]" 1
432 1 26 MET H 1 29 ARG H . . 5.500 4.898 4.783 5.082 . 0 0 "[ . 1 . 2]" 1
433 1 26 MET H 1 29 ARG QD . . 5.500 4.808 4.213 5.265 . 0 0 "[ . 1 . 2]" 1
434 1 26 MET H 1 46 THR MG . . 5.500 5.241 5.012 5.429 . 0 0 "[ . 1 . 2]" 1
435 1 26 MET H 1 50 ILE HG12 . . 5.500 4.632 4.406 4.834 . 0 0 "[ . 1 . 2]" 1
436 1 26 MET H 1 50 ILE MG . . 4.940 4.971 4.764 5.042 0.102 9 0 "[ . 1 . 2]" 1
437 1 26 MET HA 1 26 MET QG . . 3.550 2.589 2.168 3.167 . 0 0 "[ . 1 . 2]" 1
438 1 26 MET HA 1 29 ARG H . . 4.620 3.816 3.666 3.963 . 0 0 "[ . 1 . 2]" 1
439 1 26 MET HA 1 29 ARG QD . . 4.250 2.430 1.933 2.858 . 0 0 "[ . 1 . 2]" 1
440 1 26 MET HA 1 29 ARG HG2 . . 3.860 2.118 2.013 2.295 . 0 0 "[ . 1 . 2]" 1
441 1 26 MET HA 1 43 ILE MD . . 4.610 4.679 4.549 4.718 0.108 4 0 "[ . 1 . 2]" 1
442 1 26 MET QB 1 26 MET QG . . 2.400 2.078 1.955 2.123 . 0 0 "[ . 1 . 2]" 1
443 1 26 MET QB 1 27 GLU H . . 3.370 3.032 2.860 3.307 . 0 0 "[ . 1 . 2]" 1
444 1 26 MET QB 1 29 ARG HG2 . . 4.640 4.012 3.879 4.260 . 0 0 "[ . 1 . 2]" 1
445 1 26 MET QG 1 27 GLU H . . 4.270 3.954 2.944 4.335 0.065 9 0 "[ . 1 . 2]" 1
446 1 26 MET QG 1 29 ARG QD . . 4.070 3.606 2.804 4.154 0.084 5 0 "[ . 1 . 2]" 1
447 1 27 GLU H 1 27 GLU QB . . 2.740 2.417 1.946 2.822 0.082 15 0 "[ . 1 . 2]" 1
448 1 27 GLU H 1 27 GLU HG2 . . 3.490 2.882 2.360 4.281 0.791 10 1 "[ . + . 2]" 1
449 1 27 GLU H 1 28 LEU H . . 3.470 2.311 2.146 2.471 . 0 0 "[ . 1 . 2]" 1
450 1 27 GLU H 1 28 LEU HB2 . . 5.500 4.175 3.993 4.496 . 0 0 "[ . 1 . 2]" 1
451 1 27 GLU H 1 28 LEU QD . . 4.790 4.061 3.690 4.514 . 0 0 "[ . 1 . 2]" 1
452 1 27 GLU H 1 43 ILE MD . . 4.820 4.865 4.580 4.924 0.104 14 0 "[ . 1 . 2]" 1
453 1 27 GLU HA 1 27 GLU HG2 . . 3.720 2.855 2.307 3.781 0.061 16 0 "[ . 1 . 2]" 1
454 1 27 GLU HA 1 27 GLU HG3 . . 3.620 3.545 2.068 3.802 0.182 18 0 "[ . 1 . 2]" 1
455 1 27 GLU HA 1 29 ARG H . . 4.960 4.500 4.260 4.800 . 0 0 "[ . 1 . 2]" 1
456 1 27 GLU HA 1 30 PHE H . . 3.840 3.243 3.026 3.425 . 0 0 "[ . 1 . 2]" 1
457 1 27 GLU HA 1 30 PHE HB2 . . 3.240 3.258 2.680 3.325 0.085 4 0 "[ . 1 . 2]" 1
458 1 27 GLU HA 1 30 PHE HB3 . . 3.410 2.300 2.042 2.542 . 0 0 "[ . 1 . 2]" 1
459 1 27 GLU HA 1 31 GLN H . . 4.860 4.688 4.436 4.788 . 0 0 "[ . 1 . 2]" 1
460 1 27 GLU QB 1 28 LEU H . . 3.560 2.685 2.365 3.545 . 0 0 "[ . 1 . 2]" 1
461 1 27 GLU QB 1 28 LEU HB2 . . 5.290 4.595 4.183 5.392 0.102 16 0 "[ . 1 . 2]" 1
462 1 27 GLU QB 1 28 LEU QD . . 3.830 3.224 2.385 3.808 . 0 0 "[ . 1 . 2]" 1
463 1 27 GLU QB 1 30 PHE HB3 . . 3.990 3.928 3.586 4.098 0.108 10 0 "[ . 1 . 2]" 1
464 1 27 GLU HG2 1 28 LEU H . . 4.670 4.071 2.474 4.768 0.098 19 0 "[ . 1 . 2]" 1
465 1 27 GLU HG3 1 28 LEU H . . 4.360 4.250 2.827 4.760 0.400 13 0 "[ . 1 . 2]" 1
466 1 28 LEU H 1 28 LEU HB2 . . 3.610 2.247 2.090 2.361 . 0 0 "[ . 1 . 2]" 1
467 1 28 LEU H 1 28 LEU HB3 . . 3.420 3.481 3.395 3.513 0.093 19 0 "[ . 1 . 2]" 1
468 1 28 LEU H 1 28 LEU QD . . 3.410 2.715 2.275 3.136 . 0 0 "[ . 1 . 2]" 1
469 1 28 LEU H 1 28 LEU HG . . 4.630 3.340 2.180 4.347 . 0 0 "[ . 1 . 2]" 1
470 1 28 LEU H 1 29 ARG H . . 3.510 2.680 2.446 2.944 . 0 0 "[ . 1 . 2]" 1
471 1 28 LEU H 1 31 GLN H . . 5.500 4.737 4.576 4.844 . 0 0 "[ . 1 . 2]" 1
472 1 28 LEU HA 1 28 LEU QD . . 2.730 2.185 1.959 2.296 . 0 0 "[ . 1 . 2]" 1
473 1 28 LEU HA 1 28 LEU HG . . 4.060 2.923 2.712 3.191 . 0 0 "[ . 1 . 2]" 1
474 1 28 LEU HA 1 29 ARG H . . 3.480 3.564 3.547 3.622 0.142 20 0 "[ . 1 . 2]" 1
475 1 28 LEU HA 1 30 PHE H . . 4.080 3.968 3.717 4.138 0.058 1 0 "[ . 1 . 2]" 1
476 1 28 LEU HA 1 31 GLN H . . 3.780 3.006 2.763 3.334 . 0 0 "[ . 1 . 2]" 1
477 1 28 LEU HA 1 31 GLN HG3 . . 4.460 2.924 2.460 4.009 . 0 0 "[ . 1 . 2]" 1
478 1 28 LEU HA 1 32 LEU H . . 4.720 4.130 3.831 4.521 . 0 0 "[ . 1 . 2]" 1
479 1 28 LEU HA 1 43 ILE HG12 . . 4.840 4.700 4.344 4.916 0.076 10 0 "[ . 1 . 2]" 1
480 1 28 LEU HB2 1 28 LEU QD . . 3.260 2.170 2.112 2.268 . 0 0 "[ . 1 . 2]" 1
481 1 28 LEU HB2 1 29 ARG H . . 3.970 2.671 2.467 2.939 . 0 0 "[ . 1 . 2]" 1
482 1 28 LEU HB2 1 43 ILE MD . . 3.370 2.165 1.993 2.394 . 0 0 "[ . 1 . 2]" 1
483 1 28 LEU HB2 1 43 ILE HG12 . . 4.060 3.208 2.644 3.667 . 0 0 "[ . 1 . 2]" 1
484 1 28 LEU HB2 1 43 ILE HG13 . . 4.280 4.023 3.490 4.356 0.076 16 0 "[ . 1 . 2]" 1
485 1 28 LEU HB3 1 29 ARG H . . 3.680 3.390 2.966 3.757 0.077 9 0 "[ . 1 . 2]" 1
486 1 28 LEU QD 1 31 GLN H . . 4.890 4.529 4.269 4.814 . 0 0 "[ . 1 . 2]" 1
487 1 28 LEU QD 1 31 GLN QB . . 4.390 3.690 3.311 4.148 . 0 0 "[ . 1 . 2]" 1
488 1 28 LEU QD 1 31 GLN HG3 . . 5.500 3.476 2.666 4.475 . 0 0 "[ . 1 . 2]" 1
489 1 28 LEU QD 1 37 LEU QD . . 3.900 2.807 2.149 3.505 . 0 0 "[ . 1 . 2]" 1
490 1 28 LEU QD 1 42 LEU QD . . 3.340 2.359 1.790 3.189 . 0 0 "[ . 1 . 2]" 1
491 1 28 LEU QD 1 43 ILE HA . . 3.500 3.081 2.705 3.538 0.038 11 0 "[ . 1 . 2]" 1
492 1 28 LEU QD 1 43 ILE HB . . 5.010 4.759 4.380 5.002 . 0 0 "[ . 1 . 2]" 1
493 1 28 LEU QD 1 43 ILE HG12 . . 4.240 2.997 2.589 3.314 . 0 0 "[ . 1 . 2]" 1
494 1 28 LEU QD 1 43 ILE HG13 . . 4.980 4.281 3.984 4.603 . 0 0 "[ . 1 . 2]" 1
495 1 28 LEU QD 1 46 THR HB . . 4.320 3.118 2.517 3.472 . 0 0 "[ . 1 . 2]" 1
496 1 29 ARG H 1 29 ARG QB . . 3.000 2.603 2.408 2.699 . 0 0 "[ . 1 . 2]" 1
497 1 29 ARG H 1 29 ARG QD . . 4.090 4.054 3.686 4.172 0.082 2 0 "[ . 1 . 2]" 1
498 1 29 ARG H 1 29 ARG HG2 . . 3.950 2.409 2.138 2.611 . 0 0 "[ . 1 . 2]" 1
499 1 29 ARG H 1 29 ARG HG3 . . 3.680 3.488 3.302 3.703 0.023 2 0 "[ . 1 . 2]" 1
500 1 29 ARG H 1 30 PHE H . . 3.570 2.710 2.640 2.774 . 0 0 "[ . 1 . 2]" 1
501 1 29 ARG H 1 30 PHE HA . . 5.410 5.364 5.215 5.436 0.026 13 0 "[ . 1 . 2]" 1
502 1 29 ARG H 1 30 PHE HB3 . . 4.680 4.649 4.384 4.760 0.080 17 0 "[ . 1 . 2]" 1
503 1 29 ARG H 1 43 ILE MD . . 4.330 2.351 2.103 2.607 . 0 0 "[ . 1 . 2]" 1
504 1 29 ARG H 1 43 ILE HG12 . . 5.010 4.376 3.977 4.592 . 0 0 "[ . 1 . 2]" 1
505 1 29 ARG H 1 43 ILE HG13 . . 4.100 4.047 3.608 4.178 0.078 7 0 "[ . 1 . 2]" 1
506 1 29 ARG HA 1 29 ARG HG2 . . 3.720 3.784 3.739 3.812 0.092 9 0 "[ . 1 . 2]" 1
507 1 29 ARG HA 1 31 GLN H . . 4.940 4.015 3.843 4.341 . 0 0 "[ . 1 . 2]" 1
508 1 29 ARG HA 1 32 LEU H . . 3.530 3.271 3.036 3.487 . 0 0 "[ . 1 . 2]" 1
509 1 29 ARG HA 1 32 LEU QB . . 3.550 2.467 2.062 3.003 . 0 0 "[ . 1 . 2]" 1
510 1 29 ARG HA 1 33 ALA H . . 4.040 3.895 3.684 4.096 0.056 14 0 "[ . 1 . 2]" 1
511 1 29 ARG HA 1 37 LEU QD . . 4.280 3.389 2.806 4.150 . 0 0 "[ . 1 . 2]" 1
512 1 29 ARG HA 1 43 ILE MD . . 3.440 3.245 2.952 3.533 0.093 7 0 "[ . 1 . 2]" 1
513 1 29 ARG QB 1 29 ARG QD . . 2.810 2.278 2.096 2.441 . 0 0 "[ . 1 . 2]" 1
514 1 29 ARG QB 1 43 ILE HG13 . . 4.780 3.620 3.294 3.973 . 0 0 "[ . 1 . 2]" 1
515 1 29 ARG QD 1 30 PHE H . . 4.720 4.618 4.273 4.796 0.076 10 0 "[ . 1 . 2]" 1
516 1 29 ARG HG2 1 30 PHE H . . 4.930 3.043 2.593 3.386 . 0 0 "[ . 1 . 2]" 1
517 1 29 ARG HG2 1 43 ILE MD . . 3.790 3.780 3.571 3.888 0.098 7 0 "[ . 1 . 2]" 1
518 1 29 ARG HG3 1 30 PHE H . . 3.690 2.788 2.549 3.015 . 0 0 "[ . 1 . 2]" 1
519 1 29 ARG HG3 1 30 PHE HA . . 4.910 3.614 3.196 3.873 . 0 0 "[ . 1 . 2]" 1
520 1 29 ARG HG3 1 30 PHE HB2 . . 4.900 3.611 3.269 3.895 . 0 0 "[ . 1 . 2]" 1
521 1 30 PHE H 1 30 PHE HB2 . . 2.900 2.725 2.563 2.938 0.038 4 0 "[ . 1 . 2]" 1
522 1 30 PHE H 1 30 PHE HB3 . . 2.990 2.221 2.026 2.351 . 0 0 "[ . 1 . 2]" 1
523 1 30 PHE H 1 31 GLN H . . 3.570 2.688 2.455 2.882 . 0 0 "[ . 1 . 2]" 1
524 1 30 PHE H 1 31 GLN QB . . 5.270 4.591 4.271 4.822 . 0 0 "[ . 1 . 2]" 1
525 1 30 PHE H 1 31 GLN HG3 . . 4.920 4.722 4.202 4.998 0.078 10 0 "[ . 1 . 2]" 1
526 1 30 PHE H 1 33 ALA MB . . 5.420 4.656 4.436 5.018 . 0 0 "[ . 1 . 2]" 1
527 1 30 PHE HA 1 30 PHE HB2 . . 3.070 2.391 2.306 2.448 . 0 0 "[ . 1 . 2]" 1
528 1 30 PHE HA 1 30 PHE QD . . 4.070 2.964 2.398 3.530 . 0 0 "[ . 1 . 2]" 1
529 1 30 PHE HA 1 32 LEU H . . 5.500 4.360 4.071 4.745 . 0 0 "[ . 1 . 2]" 1
530 1 30 PHE HA 1 33 ALA H . . 3.980 3.552 2.900 3.934 . 0 0 "[ . 1 . 2]" 1
531 1 30 PHE HA 1 33 ALA MB . . 3.060 2.513 2.097 2.945 . 0 0 "[ . 1 . 2]" 1
532 1 30 PHE HA 1 34 MET H . . 4.970 4.201 3.901 4.592 . 0 0 "[ . 1 . 2]" 1
533 1 30 PHE HB3 1 31 GLN H . . 3.460 3.285 2.861 3.482 0.022 11 0 "[ . 1 . 2]" 1
534 1 30 PHE HB3 1 31 GLN QB . . 5.500 4.977 4.569 5.205 . 0 0 "[ . 1 . 2]" 1
535 1 30 PHE QD 1 31 GLN HG2 . . 5.010 3.382 2.275 4.065 . 0 0 "[ . 1 . 2]" 1
536 1 30 PHE QD 1 31 GLN HG3 . . 4.750 3.661 2.794 4.673 . 0 0 "[ . 1 . 2]" 1
537 1 30 PHE QE 1 34 MET HG3 . . 4.980 3.475 2.586 4.299 . 0 0 "[ . 1 . 2]" 1
538 1 30 PHE HZ 1 34 MET HG3 . . 4.630 4.259 3.633 4.711 0.081 11 0 "[ . 1 . 2]" 1
539 1 31 GLN H 1 31 GLN QB . . 3.330 2.232 2.069 2.388 . 0 0 "[ . 1 . 2]" 1
540 1 31 GLN H 1 31 GLN HG2 . . 3.750 3.384 2.817 3.819 0.069 2 0 "[ . 1 . 2]" 1
541 1 31 GLN H 1 31 GLN HG3 . . 3.400 2.841 2.423 3.377 . 0 0 "[ . 1 . 2]" 1
542 1 31 GLN H 1 32 LEU H . . 3.590 2.195 1.940 2.604 . 0 0 "[ . 1 . 2]" 1
543 1 31 GLN H 1 32 LEU QB . . 5.000 3.911 3.604 4.292 . 0 0 "[ . 1 . 2]" 1
544 1 31 GLN H 1 33 ALA H . . 5.240 4.070 3.837 4.458 . 0 0 "[ . 1 . 2]" 1
545 1 31 GLN H 1 33 ALA MB . . 5.500 4.711 4.429 4.962 . 0 0 "[ . 1 . 2]" 1
546 1 31 GLN H 1 34 MET H . . 5.500 4.568 4.383 4.772 . 0 0 "[ . 1 . 2]" 1
547 1 31 GLN H 1 36 GLN H . . 5.500 5.587 5.551 5.598 0.098 12 0 "[ . 1 . 2]" 1
548 1 31 GLN H 1 37 LEU H . . 5.140 5.085 4.595 5.225 0.085 4 0 "[ . 1 . 2]" 1
549 1 31 GLN H 1 37 LEU HB2 . . 5.010 4.076 3.366 4.368 . 0 0 "[ . 1 . 2]" 1
550 1 31 GLN H 1 37 LEU QD . . 3.540 3.571 2.968 3.629 0.089 11 0 "[ . 1 . 2]" 1
551 1 31 GLN H 1 37 LEU HG . . 5.500 5.489 4.926 5.606 0.106 2 0 "[ . 1 . 2]" 1
552 1 31 GLN HA 1 31 GLN HG2 . . 3.420 2.357 2.055 2.547 . 0 0 "[ . 1 . 2]" 1
553 1 31 GLN HA 1 31 GLN HG3 . . 3.540 3.334 2.893 3.618 0.078 11 0 "[ . 1 . 2]" 1
554 1 31 GLN HA 1 33 ALA H . . 4.670 4.699 4.561 4.749 0.079 17 0 "[ . 1 . 2]" 1
555 1 31 GLN HA 1 34 MET H . . 4.000 3.303 3.071 3.483 . 0 0 "[ . 1 . 2]" 1
556 1 31 GLN HA 1 34 MET HG3 . . 3.900 3.510 2.681 3.951 0.051 17 0 "[ . 1 . 2]" 1
557 1 31 GLN HA 1 36 GLN H . . 4.090 3.851 3.632 4.016 . 0 0 "[ . 1 . 2]" 1
558 1 31 GLN HA 1 36 GLN HB2 . . 3.950 3.224 2.588 3.857 . 0 0 "[ . 1 . 2]" 1
559 1 31 GLN HA 1 36 GLN QG . . 4.240 3.205 2.760 3.581 . 0 0 "[ . 1 . 2]" 1
560 1 31 GLN QB 1 32 LEU H . . 3.600 2.668 2.442 3.047 . 0 0 "[ . 1 . 2]" 1
561 1 31 GLN QB 1 32 LEU QB . . 4.810 3.944 3.689 4.221 . 0 0 "[ . 1 . 2]" 1
562 1 31 GLN QB 1 37 LEU H . . 4.530 2.703 1.954 3.243 . 0 0 "[ . 1 . 2]" 1
563 1 31 GLN QB 1 37 LEU HB2 . . 3.700 2.366 2.103 2.746 . 0 0 "[ . 1 . 2]" 1
564 1 31 GLN QB 1 37 LEU HB3 . . 4.500 3.627 2.393 4.307 . 0 0 "[ . 1 . 2]" 1
565 1 31 GLN QB 1 37 LEU QD . . 4.450 2.617 2.060 3.090 . 0 0 "[ . 1 . 2]" 1
566 1 31 GLN QB 1 37 LEU HG . . 4.790 3.901 2.937 4.454 . 0 0 "[ . 1 . 2]" 1
567 1 31 GLN HG2 1 32 LEU H . . 4.840 4.839 4.575 4.925 0.085 2 0 "[ . 1 . 2]" 1
568 1 31 GLN HG2 1 36 GLN HB2 . . 4.570 3.733 2.865 4.618 0.048 3 0 "[ . 1 . 2]" 1
569 1 31 GLN HG3 1 32 LEU H . . 5.100 4.525 4.212 4.914 . 0 0 "[ . 1 . 2]" 1
570 1 32 LEU H 1 32 LEU QB . . 3.170 2.172 2.056 2.314 . 0 0 "[ . 1 . 2]" 1
571 1 32 LEU H 1 32 LEU QD . . 4.130 3.670 3.558 3.727 . 0 0 "[ . 1 . 2]" 1
572 1 32 LEU H 1 33 ALA H . . 3.370 2.730 2.584 2.862 . 0 0 "[ . 1 . 2]" 1
573 1 32 LEU H 1 33 ALA MB . . 4.340 4.255 4.029 4.406 0.066 5 0 "[ . 1 . 2]" 1
574 1 32 LEU H 1 34 MET H . . 4.990 3.928 3.738 4.169 . 0 0 "[ . 1 . 2]" 1
575 1 32 LEU H 1 35 GLY H . . 5.470 4.591 4.309 4.763 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU H 1 37 LEU H . . 5.070 3.872 3.335 4.106 . 0 0 "[ . 1 . 2]" 1
577 1 32 LEU H 1 37 LEU HB2 . . 4.070 2.930 2.276 3.903 . 0 0 "[ . 1 . 2]" 1
578 1 32 LEU H 1 37 LEU HB3 . . 4.700 3.508 2.535 4.078 . 0 0 "[ . 1 . 2]" 1
579 1 32 LEU H 1 37 LEU QD . . 3.730 2.872 2.270 3.071 . 0 0 "[ . 1 . 2]" 1
580 1 32 LEU HA 1 32 LEU QD . . 4.020 2.063 1.988 2.162 . 0 0 "[ . 1 . 2]" 1
581 1 32 LEU HA 1 32 LEU HG . . 4.020 3.605 2.809 3.810 . 0 0 "[ . 1 . 2]" 1
582 1 32 LEU HA 1 34 MET H . . 4.750 4.173 3.818 4.533 . 0 0 "[ . 1 . 2]" 1
583 1 32 LEU HA 1 36 GLN H . . 3.990 3.080 2.710 3.312 . 0 0 "[ . 1 . 2]" 1
584 1 32 LEU HA 1 37 LEU H . . 3.650 2.606 2.219 3.151 . 0 0 "[ . 1 . 2]" 1
585 1 32 LEU HA 1 37 LEU HB2 . . 5.100 2.985 2.276 4.585 . 0 0 "[ . 1 . 2]" 1
586 1 32 LEU HA 1 37 LEU HB3 . . 3.140 2.414 2.119 2.867 . 0 0 "[ . 1 . 2]" 1
587 1 32 LEU HA 1 37 LEU QD . . 4.010 3.621 3.255 3.903 . 0 0 "[ . 1 . 2]" 1
588 1 32 LEU QB 1 32 LEU QD . . 2.900 2.067 1.926 2.127 . 0 0 "[ . 1 . 2]" 1
589 1 32 LEU QB 1 33 ALA H . . 3.320 2.215 2.080 2.494 . 0 0 "[ . 1 . 2]" 1
590 1 32 LEU QB 1 36 GLN H . . 5.500 4.939 4.588 5.121 . 0 0 "[ . 1 . 2]" 1
591 1 32 LEU QB 1 37 LEU H . . 4.830 4.154 3.759 4.409 . 0 0 "[ . 1 . 2]" 1
592 1 32 LEU QB 1 37 LEU HB3 . . 4.570 2.620 2.112 2.913 . 0 0 "[ . 1 . 2]" 1
593 1 32 LEU QB 1 37 LEU QD . . 3.950 2.314 1.929 2.924 . 0 0 "[ . 1 . 2]" 1
594 1 32 LEU QD 1 33 ALA H . . 4.220 3.083 2.629 3.972 . 0 0 "[ . 1 . 2]" 1
595 1 32 LEU QD 1 33 ALA HA . . 4.850 3.117 2.465 4.488 . 0 0 "[ . 1 . 2]" 1
596 1 32 LEU QD 1 34 MET H . . 5.500 4.561 4.297 5.218 . 0 0 "[ . 1 . 2]" 1
597 1 32 LEU QD 1 35 GLY H . . 5.140 4.002 3.742 4.553 . 0 0 "[ . 1 . 2]" 1
598 1 32 LEU QD 1 35 GLY HA2 . . 3.800 3.605 3.424 3.838 0.038 16 0 "[ . 1 . 2]" 1
599 1 32 LEU QD 1 36 GLN H . . 4.330 4.157 3.958 4.267 . 0 0 "[ . 1 . 2]" 1
600 1 32 LEU QD 1 37 LEU HA . . 4.390 4.425 4.275 4.456 0.066 7 0 "[ . 1 . 2]" 1
601 1 32 LEU QD 1 37 LEU HG . . 4.250 3.363 2.222 4.294 0.044 19 0 "[ . 1 . 2]" 1
602 1 32 LEU HG 1 33 ALA H . . 4.160 4.222 4.004 4.261 0.101 8 0 "[ . 1 . 2]" 1
603 1 33 ALA H 1 33 ALA MB . . 2.680 2.212 1.965 2.281 . 0 0 "[ . 1 . 2]" 1
604 1 33 ALA H 1 34 MET H . . 3.310 2.867 2.747 2.933 . 0 0 "[ . 1 . 2]" 1
605 1 33 ALA H 1 34 MET HA . . 5.320 5.402 5.331 5.415 0.095 11 0 "[ . 1 . 2]" 1
606 1 33 ALA MB 1 34 MET H . . 3.230 2.769 2.369 3.220 . 0 0 "[ . 1 . 2]" 1
607 1 33 ALA MB 1 34 MET HA . . 4.290 3.997 3.748 4.255 . 0 0 "[ . 1 . 2]" 1
608 1 33 ALA MB 1 34 MET HG3 . . 4.320 4.295 3.913 4.412 0.092 10 0 "[ . 1 . 2]" 1
609 1 33 ALA MB 1 35 GLY H . . 5.060 4.528 4.275 5.126 0.066 1 0 "[ . 1 . 2]" 1
610 1 34 MET H 1 34 MET HB2 . . 3.370 2.178 2.125 2.238 . 0 0 "[ . 1 . 2]" 1
611 1 34 MET H 1 34 MET HB3 . . 3.360 3.439 3.421 3.448 0.088 6 0 "[ . 1 . 2]" 1
612 1 34 MET H 1 34 MET HG2 . . 3.340 3.057 2.642 3.419 0.079 1 0 "[ . 1 . 2]" 1
613 1 34 MET H 1 34 MET HG3 . . 3.860 3.358 2.757 3.751 . 0 0 "[ . 1 . 2]" 1
614 1 34 MET H 1 35 GLY H . . 3.160 2.477 2.169 2.838 . 0 0 "[ . 1 . 2]" 1
615 1 34 MET H 1 35 GLY HA2 . . 4.660 4.621 4.314 4.739 0.079 7 0 "[ . 1 . 2]" 1
616 1 34 MET HA 1 34 MET HG2 . . 3.290 2.350 2.096 2.634 . 0 0 "[ . 1 . 2]" 1
617 1 34 MET HA 1 34 MET HG3 . . 3.780 3.553 3.210 3.721 . 0 0 "[ . 1 . 2]" 1
618 1 34 MET HA 1 35 GLY HA3 . . 4.610 4.628 4.552 4.679 0.069 4 0 "[ . 1 . 2]" 1
619 1 34 MET HB2 1 35 GLY H . . 5.190 3.046 2.238 3.466 . 0 0 "[ . 1 . 2]" 1
620 1 34 MET HB2 1 36 GLN H . . 3.850 3.659 3.442 3.925 0.075 5 0 "[ . 1 . 2]" 1
621 1 34 MET HB3 1 35 GLY H . . 4.360 3.653 2.772 4.026 . 0 0 "[ . 1 . 2]" 1
622 1 34 MET HB3 1 36 GLN H . . 4.400 4.304 3.930 4.463 0.063 13 0 "[ . 1 . 2]" 1
623 1 35 GLY H 1 36 GLN H . . 3.450 2.185 1.837 2.336 . 0 0 "[ . 1 . 2]" 1
624 1 35 GLY H 1 36 GLN HA . . 4.860 4.833 4.414 4.948 0.088 10 0 "[ . 1 . 2]" 1
625 1 35 GLY H 1 36 GLN QG . . 4.030 3.063 2.277 3.398 . 0 0 "[ . 1 . 2]" 1
626 1 35 GLY H 1 37 LEU H . . 4.480 3.720 3.441 3.977 . 0 0 "[ . 1 . 2]" 1
627 1 35 GLY HA2 1 36 GLN QG . . 4.120 4.200 4.089 4.220 0.100 5 0 "[ . 1 . 2]" 1
628 1 35 GLY HA2 1 37 LEU H . . 5.100 4.070 3.657 4.494 . 0 0 "[ . 1 . 2]" 1
629 1 35 GLY HA3 1 36 GLN QG . . 4.210 3.930 3.666 4.126 . 0 0 "[ . 1 . 2]" 1
630 1 36 GLN H 1 36 GLN HB2 . . 3.380 2.708 2.556 3.027 . 0 0 "[ . 1 . 2]" 1
631 1 36 GLN H 1 36 GLN QG . . 3.320 2.328 1.962 2.700 . 0 0 "[ . 1 . 2]" 1
632 1 36 GLN H 1 37 LEU H . . 3.150 1.939 1.632 2.210 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLN HA 1 36 GLN QG . . 3.060 2.895 2.491 3.148 0.088 2 0 "[ . 1 . 2]" 1
634 1 36 GLN HA 1 37 LEU H . . 3.510 3.466 3.294 3.585 0.075 20 0 "[ . 1 . 2]" 1
635 1 36 GLN HB2 1 37 LEU H . . 4.190 2.816 2.233 3.144 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLN HB3 1 37 LEU H . . 4.520 3.980 3.516 4.275 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLN QG 1 37 LEU H . . 3.640 3.714 3.582 3.756 0.116 10 0 "[ . 1 . 2]" 1
638 1 37 LEU H 1 37 LEU HB2 . . 3.410 2.404 2.064 3.344 . 0 0 "[ . 1 . 2]" 1
639 1 37 LEU H 1 37 LEU HB3 . . 3.280 2.604 2.223 2.908 . 0 0 "[ . 1 . 2]" 1
640 1 37 LEU H 1 37 LEU HG . . 4.310 4.312 4.086 4.405 0.095 13 0 "[ . 1 . 2]" 1
641 1 37 LEU HA 1 37 LEU HG . . 4.150 2.977 2.145 3.807 . 0 0 "[ . 1 . 2]" 1
642 1 37 LEU HB2 1 37 LEU QD . . 3.120 2.141 1.978 2.206 . 0 0 "[ . 1 . 2]" 1
643 1 37 LEU HB3 1 37 LEU QD . . 3.270 2.305 2.003 2.593 . 0 0 "[ . 1 . 2]" 1
644 1 37 LEU QD 1 43 ILE H . . 4.190 2.974 1.994 3.747 . 0 0 "[ . 1 . 2]" 1
645 1 40 THR HA 1 40 THR MG . . 3.390 2.304 2.104 2.558 . 0 0 "[ . 1 . 2]" 1
646 1 40 THR HA 1 43 ILE H . . 4.180 2.895 2.485 3.453 . 0 0 "[ . 1 . 2]" 1
647 1 40 THR HA 1 43 ILE HB . . 4.000 2.556 2.026 3.781 . 0 0 "[ . 1 . 2]" 1
648 1 40 THR HA 1 44 LYS H . . 4.310 4.273 4.085 4.388 0.078 16 0 "[ . 1 . 2]" 1
649 1 40 THR HB 1 42 LEU H . . 5.280 5.336 5.225 5.369 0.089 1 0 "[ . 1 . 2]" 1
650 1 40 THR HB 1 43 ILE H . . 5.500 4.657 3.909 5.155 . 0 0 "[ . 1 . 2]" 1
651 1 40 THR HB 1 43 ILE HB . . 4.440 3.730 2.263 4.517 0.077 17 0 "[ . 1 . 2]" 1
652 1 40 THR HB 1 44 LYS H . . 5.390 4.432 3.220 5.461 0.071 10 0 "[ . 1 . 2]" 1
653 1 40 THR MG 1 43 ILE H . . 5.120 4.481 3.682 4.998 . 0 0 "[ . 1 . 2]" 1
654 1 40 THR MG 1 43 ILE HB . . 4.730 3.376 2.304 4.398 . 0 0 "[ . 1 . 2]" 1
655 1 40 THR MG 1 44 LYS H . . 5.500 5.022 3.444 5.570 0.070 7 0 "[ . 1 . 2]" 1
656 1 41 SER HA 1 44 LYS H . . 4.050 3.384 2.901 3.831 . 0 0 "[ . 1 . 2]" 1
657 1 41 SER HA 1 44 LYS QB . . 4.200 2.544 2.147 3.704 . 0 0 "[ . 1 . 2]" 1
658 1 41 SER QB 1 42 LEU H . . 4.210 2.853 2.515 3.527 . 0 0 "[ . 1 . 2]" 1
659 1 42 LEU H 1 42 LEU HB2 . . 3.990 2.495 2.151 2.906 . 0 0 "[ . 1 . 2]" 1
660 1 42 LEU H 1 42 LEU HB3 . . 3.470 2.516 2.055 3.098 . 0 0 "[ . 1 . 2]" 1
661 1 42 LEU H 1 42 LEU QD . . 4.440 3.712 3.334 3.868 . 0 0 "[ . 1 . 2]" 1
662 1 42 LEU H 1 42 LEU HG . . 4.340 4.399 4.349 4.426 0.086 10 0 "[ . 1 . 2]" 1
663 1 42 LEU H 1 43 ILE H . . 3.880 2.679 2.462 2.828 . 0 0 "[ . 1 . 2]" 1
664 1 42 LEU H 1 43 ILE HB . . 5.400 4.521 4.245 4.813 . 0 0 "[ . 1 . 2]" 1
665 1 42 LEU H 1 44 LYS H . . 5.280 4.210 4.000 4.439 . 0 0 "[ . 1 . 2]" 1
666 1 42 LEU HA 1 42 LEU QD . . 3.700 2.507 1.950 3.156 . 0 0 "[ . 1 . 2]" 1
667 1 42 LEU HA 1 45 LEU H . . 3.750 3.358 3.035 3.711 . 0 0 "[ . 1 . 2]" 1
668 1 42 LEU HA 1 45 LEU HB2 . . 3.340 2.847 2.369 4.068 0.728 14 1 "[ . 1 +. 2]" 1
669 1 42 LEU HA 1 45 LEU QD . . 3.350 3.110 2.673 3.395 0.045 15 0 "[ . 1 . 2]" 1
670 1 42 LEU HA 1 45 LEU HG . . 4.040 4.072 3.780 4.125 0.085 12 0 "[ . 1 . 2]" 1
671 1 42 LEU HB2 1 42 LEU QD . . 2.960 2.273 2.127 2.651 . 0 0 "[ . 1 . 2]" 1
672 1 42 LEU HB2 1 43 ILE H . . 4.390 3.879 3.368 4.207 . 0 0 "[ . 1 . 2]" 1
673 1 42 LEU HB3 1 42 LEU QD . . 3.230 2.244 2.088 2.401 . 0 0 "[ . 1 . 2]" 1
674 1 42 LEU HB3 1 43 ILE H . . 4.010 2.667 2.399 3.009 . 0 0 "[ . 1 . 2]" 1
675 1 42 LEU QD 1 45 LEU H . . 5.010 4.269 3.614 4.887 . 0 0 "[ . 1 . 2]" 1
676 1 42 LEU QD 1 46 THR H . . 4.970 3.618 3.076 4.086 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU QD 1 46 THR MG . . 3.350 3.361 3.127 3.452 0.102 11 0 "[ . 1 . 2]" 1
678 1 43 ILE H 1 43 ILE HB . . 3.080 2.136 2.030 2.265 . 0 0 "[ . 1 . 2]" 1
679 1 43 ILE H 1 43 ILE HG12 . . 3.550 3.219 2.867 3.613 0.063 14 0 "[ . 1 . 2]" 1
680 1 43 ILE H 1 43 ILE HG13 . . 4.340 4.052 3.594 4.307 . 0 0 "[ . 1 . 2]" 1
681 1 43 ILE H 1 43 ILE MG . . 3.900 3.494 3.133 3.669 . 0 0 "[ . 1 . 2]" 1
682 1 43 ILE H 1 44 LYS H . . 3.240 2.952 2.768 3.113 . 0 0 "[ . 1 . 2]" 1
683 1 43 ILE H 1 44 LYS HA . . 5.500 5.475 5.330 5.571 0.071 10 0 "[ . 1 . 2]" 1
684 1 43 ILE H 1 44 LYS QB . . 4.500 4.490 4.276 4.601 0.101 14 0 "[ . 1 . 2]" 1
685 1 43 ILE HA 1 43 ILE MD . . 3.750 2.264 2.122 2.376 . 0 0 "[ . 1 . 2]" 1
686 1 43 ILE HA 1 43 ILE HG12 . . 3.550 2.398 2.259 2.588 . 0 0 "[ . 1 . 2]" 1
687 1 43 ILE HA 1 43 ILE HG13 . . 3.650 3.572 3.515 3.647 . 0 0 "[ . 1 . 2]" 1
688 1 43 ILE HA 1 43 ILE MG . . 3.130 2.956 2.747 3.161 0.031 14 0 "[ . 1 . 2]" 1
689 1 43 ILE HA 1 45 LEU H . . 4.910 4.368 4.101 4.580 . 0 0 "[ . 1 . 2]" 1
690 1 43 ILE HA 1 46 THR H . . 4.160 3.223 2.980 3.425 . 0 0 "[ . 1 . 2]" 1
691 1 43 ILE HA 1 46 THR HB . . 3.710 2.358 2.060 2.652 . 0 0 "[ . 1 . 2]" 1
692 1 43 ILE HA 1 46 THR MG . . 4.270 3.612 3.052 3.938 . 0 0 "[ . 1 . 2]" 1
693 1 43 ILE HA 1 47 LYS H . . 4.210 3.810 3.482 4.139 . 0 0 "[ . 1 . 2]" 1
694 1 43 ILE HB 1 43 ILE MD . . 3.700 3.277 3.166 3.337 . 0 0 "[ . 1 . 2]" 1
695 1 43 ILE HB 1 44 LYS H . . 3.260 3.177 2.685 3.332 0.072 11 0 "[ . 1 . 2]" 1
696 1 43 ILE HB 1 44 LYS HA . . 5.240 5.147 4.820 5.319 0.079 18 0 "[ . 1 . 2]" 1
697 1 43 ILE MG 1 44 LYS H . . 3.760 2.520 2.254 2.754 . 0 0 "[ . 1 . 2]" 1
698 1 43 ILE MG 1 44 LYS HA . . 3.370 3.070 2.872 3.190 . 0 0 "[ . 1 . 2]" 1
699 1 43 ILE MG 1 46 THR H . . 4.490 4.576 4.286 4.607 0.117 12 0 "[ . 1 . 2]" 1
700 1 43 ILE MG 1 46 THR HB . . 4.710 4.185 3.865 4.398 . 0 0 "[ . 1 . 2]" 1
701 1 43 ILE MG 1 47 LYS H . . 4.300 3.879 3.451 4.229 . 0 0 "[ . 1 . 2]" 1
702 1 43 ILE MG 1 47 LYS QD . . 3.760 3.119 2.044 3.895 0.135 11 0 "[ . 1 . 2]" 1
703 1 44 LYS H 1 44 LYS QB . . 3.050 2.058 1.856 2.200 . 0 0 "[ . 1 . 2]" 1
704 1 44 LYS H 1 44 LYS QD . . 4.210 4.257 3.950 4.327 0.117 18 0 "[ . 1 . 2]" 1
705 1 44 LYS H 1 44 LYS QE . . 5.500 5.070 4.326 5.382 . 0 0 "[ . 1 . 2]" 1
706 1 44 LYS H 1 44 LYS HG2 . . 4.320 4.284 2.950 4.524 0.204 20 0 "[ . 1 . 2]" 1
707 1 44 LYS H 1 45 LEU H . . 3.470 2.896 2.618 3.109 . 0 0 "[ . 1 . 2]" 1
708 1 44 LYS H 1 46 THR H . . 4.750 4.028 3.840 4.343 . 0 0 "[ . 1 . 2]" 1
709 1 44 LYS H 1 47 LYS H . . 5.230 4.724 4.485 4.873 . 0 0 "[ . 1 . 2]" 1
710 1 44 LYS HA 1 44 LYS QB . . 2.570 2.278 2.140 2.569 . 0 0 "[ . 1 . 2]" 1
711 1 44 LYS HA 1 44 LYS HG2 . . 3.710 3.279 2.358 4.175 0.465 5 0 "[ . 1 . 2]" 1
712 1 44 LYS HA 1 44 LYS HG3 . . 4.200 3.612 3.370 3.722 . 0 0 "[ . 1 . 2]" 1
713 1 44 LYS HA 1 47 LYS H . . 3.840 3.546 3.382 3.884 0.044 16 0 "[ . 1 . 2]" 1
714 1 44 LYS QB 1 44 LYS QE . . 3.750 3.419 2.042 3.739 . 0 0 "[ . 1 . 2]" 1
715 1 44 LYS QB 1 45 LEU H . . 3.370 2.878 2.264 3.493 0.123 14 0 "[ . 1 . 2]" 1
716 1 44 LYS QE 1 45 LEU HB3 . . 4.880 4.721 3.400 4.995 0.115 13 0 "[ . 1 . 2]" 1
717 1 44 LYS QE 1 45 LEU HG . . 4.740 4.375 3.301 4.853 0.113 12 0 "[ . 1 . 2]" 1
718 1 44 LYS QE 1 47 LYS H . . 5.500 5.205 4.689 5.590 0.090 18 0 "[ . 1 . 2]" 1
719 1 44 LYS QE 1 47 LYS QG . . 4.690 4.653 4.112 4.810 0.120 12 0 "[ . 1 . 2]" 1
720 1 44 LYS HG2 1 45 LEU H . . 4.580 4.467 3.793 4.781 0.201 15 0 "[ . 1 . 2]" 1
721 1 44 LYS HG3 1 45 LEU H . . 4.850 3.979 2.111 4.946 0.096 2 0 "[ . 1 . 2]" 1
722 1 45 LEU H 1 45 LEU HB2 . . 3.170 2.143 2.040 2.475 . 0 0 "[ . 1 . 2]" 1
723 1 45 LEU H 1 45 LEU HB3 . . 3.240 3.004 1.937 3.425 0.185 20 0 "[ . 1 . 2]" 1
724 1 45 LEU H 1 45 LEU QD . . 3.730 3.141 2.481 3.443 . 0 0 "[ . 1 . 2]" 1
725 1 45 LEU H 1 46 THR MG . . 5.500 5.615 5.602 5.624 0.124 2 0 "[ . 1 . 2]" 1
726 1 45 LEU H 1 48 ARG QD . . 4.720 4.784 4.557 4.832 0.112 15 0 "[ . 1 . 2]" 1
727 1 45 LEU HA 1 45 LEU QD . . 2.920 2.018 1.949 2.098 . 0 0 "[ . 1 . 2]" 1
728 1 45 LEU HA 1 45 LEU HG . . 3.860 3.314 2.784 3.752 . 0 0 "[ . 1 . 2]" 1
729 1 45 LEU HA 1 48 ARG QB . . 3.640 3.236 2.300 3.612 . 0 0 "[ . 1 . 2]" 1
730 1 45 LEU HB2 1 45 LEU QD . . 3.170 2.264 2.009 2.385 . 0 0 "[ . 1 . 2]" 1
731 1 45 LEU HB2 1 46 THR H . . 3.700 3.263 2.750 4.104 0.404 14 0 "[ . 1 . 2]" 1
732 1 45 LEU HB3 1 46 THR H . . 4.060 3.387 2.530 3.890 . 0 0 "[ . 1 . 2]" 1
733 1 45 LEU QD 1 48 ARG QD . . 3.760 2.108 1.890 2.675 . 0 0 "[ . 1 . 2]" 1
734 1 46 THR H 1 46 THR HB . . 3.270 2.395 2.077 2.775 . 0 0 "[ . 1 . 2]" 1
735 1 46 THR H 1 46 THR MG . . 3.900 3.676 3.580 3.779 . 0 0 "[ . 1 . 2]" 1
736 1 46 THR H 1 47 LYS H . . 3.170 2.607 2.333 2.919 . 0 0 "[ . 1 . 2]" 1
737 1 46 THR HA 1 46 THR MG . . 2.820 2.383 2.107 2.781 . 0 0 "[ . 1 . 2]" 1
738 1 46 THR HA 1 49 ASP H . . 3.660 3.628 3.426 3.731 0.071 8 0 "[ . 1 . 2]" 1
739 1 46 THR HA 1 49 ASP QB . . 3.970 3.011 2.706 3.314 . 0 0 "[ . 1 . 2]" 1
740 1 46 THR HA 1 50 ILE H . . 4.830 3.980 3.574 4.299 . 0 0 "[ . 1 . 2]" 1
741 1 46 THR HB 1 47 LYS H . . 3.530 2.623 2.329 2.945 . 0 0 "[ . 1 . 2]" 1
742 1 46 THR MG 1 47 LYS H . . 4.340 3.557 2.980 3.894 . 0 0 "[ . 1 . 2]" 1
743 1 46 THR MG 1 49 ASP H . . 5.500 4.916 4.519 5.134 . 0 0 "[ . 1 . 2]" 1
744 1 46 THR MG 1 49 ASP QB . . 5.230 4.025 3.742 4.512 . 0 0 "[ . 1 . 2]" 1
745 1 46 THR MG 1 50 ILE H . . 5.340 4.126 3.860 4.339 . 0 0 "[ . 1 . 2]" 1
746 1 46 THR MG 1 50 ILE MD . . 3.610 1.895 1.679 2.027 . 0 0 "[ . 1 . 2]" 1
747 1 46 THR MG 1 50 ILE HG13 . . 5.300 4.229 4.074 4.379 . 0 0 "[ . 1 . 2]" 1
748 1 47 LYS H 1 47 LYS QB . . 3.050 2.546 1.993 3.118 0.068 18 0 "[ . 1 . 2]" 1
749 1 47 LYS H 1 47 LYS QD . . 4.510 3.355 2.090 4.217 . 0 0 "[ . 1 . 2]" 1
750 1 47 LYS H 1 47 LYS QG . . 4.210 2.877 1.735 4.046 . 0 0 "[ . 1 . 2]" 1
751 1 47 LYS H 1 49 ASP H . . 4.950 4.448 3.927 4.661 . 0 0 "[ . 1 . 2]" 1
752 1 47 LYS H 1 50 ILE MD . . 5.120 3.818 3.473 4.120 . 0 0 "[ . 1 . 2]" 1
753 1 47 LYS HA 1 47 LYS QG . . 3.030 3.029 2.735 3.169 0.139 18 0 "[ . 1 . 2]" 1
754 1 47 LYS HA 1 49 ASP H . . 4.770 4.340 3.914 4.699 . 0 0 "[ . 1 . 2]" 1
755 1 47 LYS HA 1 50 ILE H . . 3.830 3.127 2.685 3.471 . 0 0 "[ . 1 . 2]" 1
756 1 47 LYS HA 1 50 ILE HA . . 4.980 4.965 4.655 5.068 0.088 18 0 "[ . 1 . 2]" 1
757 1 47 LYS HA 1 50 ILE HB . . 2.510 2.118 1.918 2.247 . 0 0 "[ . 1 . 2]" 1
758 1 47 LYS HA 1 50 ILE MD . . 2.940 2.993 2.189 3.068 0.128 20 0 "[ . 1 . 2]" 1
759 1 47 LYS HA 1 50 ILE HG12 . . 4.560 4.212 3.933 4.385 . 0 0 "[ . 1 . 2]" 1
760 1 47 LYS HA 1 50 ILE MG . . 3.690 3.327 2.521 3.599 . 0 0 "[ . 1 . 2]" 1
761 1 47 LYS HA 1 51 ALA H . . 4.430 3.532 3.388 3.728 . 0 0 "[ . 1 . 2]" 1
762 1 47 LYS HA 1 51 ALA MB . . 4.080 4.186 4.146 4.202 0.122 16 0 "[ . 1 . 2]" 1
763 1 47 LYS QB 1 47 LYS QD . . 3.020 2.325 1.925 2.595 . 0 0 "[ . 1 . 2]" 1
764 1 47 LYS QD 1 50 ILE MD . . 4.300 4.415 4.222 4.465 0.165 16 0 "[ . 1 . 2]" 1
765 1 48 ARG HA 1 48 ARG QG . . 3.790 3.221 2.646 3.410 . 0 0 "[ . 1 . 2]" 1
766 1 48 ARG HA 1 51 ALA H . . 4.310 3.810 3.592 3.965 . 0 0 "[ . 1 . 2]" 1
767 1 48 ARG HA 1 51 ALA MB . . 4.090 3.221 2.899 3.515 . 0 0 "[ . 1 . 2]" 1
768 1 48 ARG QB 1 49 ASP H . . 3.630 3.179 2.348 3.466 . 0 0 "[ . 1 . 2]" 1
769 1 48 ARG QB 1 50 ILE H . . 5.430 4.990 4.498 5.114 . 0 0 "[ . 1 . 2]" 1
770 1 48 ARG QD 1 49 ASP H . . 5.500 4.106 3.774 5.025 . 0 0 "[ . 1 . 2]" 1
771 1 48 ARG QG 1 49 ASP H . . 4.220 2.280 1.926 3.211 . 0 0 "[ . 1 . 2]" 1
772 1 48 ARG QG 1 49 ASP QB . . 4.330 3.204 2.662 4.187 . 0 0 "[ . 1 . 2]" 1
773 1 49 ASP H 1 49 ASP QB . . 3.270 2.047 1.938 2.185 . 0 0 "[ . 1 . 2]" 1
774 1 49 ASP H 1 50 ILE HA . . 5.500 5.110 4.856 5.262 . 0 0 "[ . 1 . 2]" 1
775 1 49 ASP HA 1 51 ALA H . . 5.380 4.452 4.057 4.671 . 0 0 "[ . 1 . 2]" 1
776 1 49 ASP HA 1 51 ALA MB . . 5.170 5.065 4.609 5.270 0.100 13 0 "[ . 1 . 2]" 1
777 1 49 ASP HA 1 52 ARG H . . 3.890 3.172 2.883 3.420 . 0 0 "[ . 1 . 2]" 1
778 1 49 ASP HA 1 52 ARG HA . . 5.130 5.067 4.773 5.220 0.090 10 0 "[ . 1 . 2]" 1
779 1 49 ASP HA 1 52 ARG QB . . 3.470 2.354 1.956 3.152 . 0 0 "[ . 1 . 2]" 1
780 1 49 ASP HA 1 52 ARG QD . . 4.020 3.969 3.412 4.139 0.119 8 0 "[ . 1 . 2]" 1
781 1 49 ASP HA 1 52 ARG HG3 . . 4.610 3.750 1.948 4.470 . 0 0 "[ . 1 . 2]" 1
782 1 49 ASP HA 1 53 ILE H . . 5.020 3.520 3.304 3.670 . 0 0 "[ . 1 . 2]" 1
783 1 49 ASP HA 1 53 ILE MD . . 4.800 2.941 2.602 3.554 . 0 0 "[ . 1 . 2]" 1
784 1 49 ASP QB 1 50 ILE H . . 3.750 2.790 2.618 3.049 . 0 0 "[ . 1 . 2]" 1
785 1 49 ASP QB 1 50 ILE MD . . 5.040 3.117 2.687 3.453 . 0 0 "[ . 1 . 2]" 1
786 1 49 ASP QB 1 51 ALA H . . 5.470 4.864 4.708 5.035 . 0 0 "[ . 1 . 2]" 1
787 1 49 ASP QB 1 52 ARG H . . 5.500 4.667 4.505 4.838 . 0 0 "[ . 1 . 2]" 1
788 1 49 ASP QB 1 53 ILE H . . 5.500 4.302 4.141 4.569 . 0 0 "[ . 1 . 2]" 1
789 1 49 ASP QB 1 53 ILE MD . . 4.020 2.296 2.055 2.874 . 0 0 "[ . 1 . 2]" 1
790 1 50 ILE H 1 50 ILE HB . . 2.920 2.349 2.002 2.460 . 0 0 "[ . 1 . 2]" 1
791 1 50 ILE H 1 50 ILE MD . . 3.600 2.458 2.241 2.912 . 0 0 "[ . 1 . 2]" 1
792 1 50 ILE H 1 50 ILE MG . . 3.790 3.746 3.201 3.864 0.074 16 0 "[ . 1 . 2]" 1
793 1 50 ILE H 1 51 ALA H . . 3.590 2.758 2.633 2.941 . 0 0 "[ . 1 . 2]" 1
794 1 50 ILE H 1 51 ALA HA . . 5.440 5.301 5.208 5.430 . 0 0 "[ . 1 . 2]" 1
795 1 50 ILE HA 1 50 ILE MD . . 3.060 2.664 2.458 2.857 . 0 0 "[ . 1 . 2]" 1
796 1 50 ILE HA 1 50 ILE HG12 . . 3.510 3.459 3.373 3.528 0.018 16 0 "[ . 1 . 2]" 1
797 1 50 ILE HA 1 50 ILE HG13 . . 2.930 2.103 2.014 2.177 . 0 0 "[ . 1 . 2]" 1
798 1 50 ILE HA 1 50 ILE MG . . 3.200 2.813 2.708 2.950 . 0 0 "[ . 1 . 2]" 1
799 1 50 ILE HA 1 53 ILE H . . 3.800 3.560 3.327 3.864 0.064 15 0 "[ . 1 . 2]" 1
800 1 50 ILE HA 1 53 ILE HB . . 3.590 2.733 2.506 2.976 . 0 0 "[ . 1 . 2]" 1
801 1 50 ILE HA 1 53 ILE MD . . 3.420 3.420 3.142 3.526 0.106 13 0 "[ . 1 . 2]" 1
802 1 50 ILE HA 1 54 LYS H . . 4.550 3.088 2.893 3.355 . 0 0 "[ . 1 . 2]" 1
803 1 50 ILE HB 1 50 ILE MD . . 3.230 2.233 1.959 2.345 . 0 0 "[ . 1 . 2]" 1
804 1 50 ILE HB 1 51 ALA H . . 3.320 2.864 2.596 3.132 . 0 0 "[ . 1 . 2]" 1
805 1 50 ILE MG 1 51 ALA H . . 3.760 2.815 2.218 3.038 . 0 0 "[ . 1 . 2]" 1
806 1 50 ILE MG 1 51 ALA HA . . 3.820 2.937 2.727 3.149 . 0 0 "[ . 1 . 2]" 1
807 1 50 ILE MG 1 54 LYS H . . 5.270 3.637 3.443 3.902 . 0 0 "[ . 1 . 2]" 1
808 1 50 ILE MG 1 54 LYS QB . . 3.670 2.520 2.241 3.084 . 0 0 "[ . 1 . 2]" 1
809 1 50 ILE MG 1 54 LYS QE . . 3.700 3.425 3.140 3.828 0.128 19 0 "[ . 1 . 2]" 1
810 1 50 ILE MG 1 54 LYS HG2 . . 3.970 2.307 2.093 2.635 . 0 0 "[ . 1 . 2]" 1
811 1 50 ILE MG 1 55 THR H . . 5.500 5.064 4.837 5.451 . 0 0 "[ . 1 . 2]" 1
812 1 51 ALA H 1 51 ALA MB . . 2.750 2.135 1.979 2.226 . 0 0 "[ . 1 . 2]" 1
813 1 51 ALA H 1 52 ARG H . . 3.330 2.710 2.564 2.972 . 0 0 "[ . 1 . 2]" 1
814 1 51 ALA HA 1 54 LYS H . . 3.920 3.860 3.719 3.979 0.059 13 0 "[ . 1 . 2]" 1
815 1 51 ALA HA 1 54 LYS QB . . 4.250 4.080 3.795 4.274 0.024 9 0 "[ . 1 . 2]" 1
816 1 51 ALA HA 1 54 LYS QD . . 3.900 3.637 2.894 3.988 0.088 16 0 "[ . 1 . 2]" 1
817 1 51 ALA HA 1 54 LYS HG2 . . 4.720 2.788 2.257 2.998 . 0 0 "[ . 1 . 2]" 1
818 1 51 ALA MB 1 52 ARG H . . 3.150 3.045 2.571 3.234 0.084 18 0 "[ . 1 . 2]" 1
819 1 51 ALA MB 1 54 LYS HG3 . . 3.830 3.913 3.834 3.947 0.117 15 0 "[ . 1 . 2]" 1
820 1 52 ARG H 1 52 ARG QB . . 3.070 2.225 1.856 2.360 . 0 0 "[ . 1 . 2]" 1
821 1 52 ARG H 1 52 ARG QD . . 4.240 4.260 4.097 4.316 0.076 15 0 "[ . 1 . 2]" 1
822 1 52 ARG HA 1 52 ARG QD . . 4.750 3.324 2.555 3.691 . 0 0 "[ . 1 . 2]" 1
823 1 52 ARG HA 1 52 ARG HG2 . . 3.850 2.825 2.324 4.155 0.305 15 0 "[ . 1 . 2]" 1
824 1 52 ARG HA 1 52 ARG HG3 . . 4.060 3.702 3.507 3.928 . 0 0 "[ . 1 . 2]" 1
825 1 52 ARG HA 1 55 THR H . . 3.800 3.839 3.572 3.887 0.087 16 0 "[ . 1 . 2]" 1
826 1 52 ARG HA 1 55 THR HB . . 3.670 2.790 2.345 2.967 . 0 0 "[ . 1 . 2]" 1
827 1 52 ARG HA 1 55 THR MG . . 3.790 3.711 3.297 3.887 0.097 8 0 "[ . 1 . 2]" 1
828 1 52 ARG HA 1 56 ILE H . . 4.730 4.527 4.146 4.745 0.015 18 0 "[ . 1 . 2]" 1
829 1 52 ARG QB 1 53 ILE H . . 3.340 2.402 2.215 3.185 . 0 0 "[ . 1 . 2]" 1
830 1 52 ARG QB 1 53 ILE MD . . 4.580 3.012 2.306 4.188 . 0 0 "[ . 1 . 2]" 1
831 1 52 ARG QD 1 53 ILE H . . 4.450 2.980 2.673 3.435 . 0 0 "[ . 1 . 2]" 1
832 1 52 ARG QD 1 53 ILE MD . . 4.230 2.789 2.144 4.331 0.101 13 0 "[ . 1 . 2]" 1
833 1 52 ARG QD 1 53 ILE MG . . 4.670 4.529 4.174 4.799 0.129 11 0 "[ . 1 . 2]" 1
834 1 52 ARG QD 1 55 THR MG . . 5.010 5.019 4.308 5.141 0.131 5 0 "[ . 1 . 2]" 1
835 1 52 ARG QD 1 56 ILE HG12 . . 4.330 3.333 2.664 4.140 . 0 0 "[ . 1 . 2]" 1
836 1 52 ARG QD 1 56 ILE HG13 . . 4.370 3.222 2.457 3.789 . 0 0 "[ . 1 . 2]" 1
837 1 52 ARG HG3 1 53 ILE MD . . 4.730 4.110 2.161 4.835 0.105 4 0 "[ . 1 . 2]" 1
838 1 53 ILE H 1 53 ILE HB . . 3.040 2.288 2.156 2.431 . 0 0 "[ . 1 . 2]" 1
839 1 53 ILE H 1 53 ILE MD . . 3.650 2.502 2.045 3.300 . 0 0 "[ . 1 . 2]" 1
840 1 53 ILE H 1 53 ILE HG12 . . 3.890 3.868 3.495 4.105 0.215 20 0 "[ . 1 . 2]" 1
841 1 53 ILE H 1 53 ILE HG13 . . 3.120 2.841 2.170 3.198 0.078 11 0 "[ . 1 . 2]" 1
842 1 53 ILE H 1 53 ILE MG . . 3.610 3.657 3.583 3.716 0.106 6 0 "[ . 1 . 2]" 1
843 1 53 ILE H 1 54 LYS H . . 3.650 2.925 2.616 3.150 . 0 0 "[ . 1 . 2]" 1
844 1 53 ILE HA 1 53 ILE HG12 . . 3.700 3.201 2.605 3.577 . 0 0 "[ . 1 . 2]" 1
845 1 53 ILE HA 1 53 ILE HG13 . . 3.240 2.370 2.139 2.930 . 0 0 "[ . 1 . 2]" 1
846 1 53 ILE HA 1 53 ILE MG . . 3.070 2.489 2.332 2.588 . 0 0 "[ . 1 . 2]" 1
847 1 53 ILE HA 1 54 LYS HA . . 4.480 4.579 4.555 4.763 0.283 20 0 "[ . 1 . 2]" 1
848 1 53 ILE HA 1 55 THR H . . 4.380 4.171 3.635 4.440 0.060 14 0 "[ . 1 . 2]" 1
849 1 53 ILE HA 1 56 ILE H . . 3.780 3.163 2.999 3.334 . 0 0 "[ . 1 . 2]" 1
850 1 53 ILE HA 1 56 ILE HB . . 3.580 2.861 2.532 3.134 . 0 0 "[ . 1 . 2]" 1
851 1 53 ILE HA 1 56 ILE HG13 . . 4.070 2.969 2.569 3.411 . 0 0 "[ . 1 . 2]" 1
852 1 53 ILE HB 1 53 ILE MD . . 3.120 2.245 1.985 2.342 . 0 0 "[ . 1 . 2]" 1
853 1 53 ILE HB 1 54 LYS H . . 3.070 2.656 2.552 2.820 . 0 0 "[ . 1 . 2]" 1
854 1 53 ILE MD 1 53 ILE MG . . 2.960 2.820 2.065 3.091 0.131 14 0 "[ . 1 . 2]" 1
855 1 53 ILE MD 1 54 LYS H . . 4.800 4.315 4.027 4.524 . 0 0 "[ . 1 . 2]" 1
856 1 53 ILE HG12 1 53 ILE MG . . 2.880 2.094 2.021 2.244 . 0 0 "[ . 1 . 2]" 1
857 1 53 ILE HG13 1 53 ILE MG . . 3.620 2.855 2.513 3.166 . 0 0 "[ . 1 . 2]" 1
858 1 53 ILE MG 1 54 LYS H . . 3.900 3.055 2.659 3.539 . 0 0 "[ . 1 . 2]" 1
859 1 53 ILE MG 1 56 ILE HG13 . . 4.550 4.472 4.138 4.647 0.097 4 0 "[ . 1 . 2]" 1
860 1 54 LYS H 1 54 LYS QB . . 3.080 2.402 2.209 2.674 . 0 0 "[ . 1 . 2]" 1
861 1 54 LYS H 1 54 LYS HG2 . . 4.020 3.573 3.332 3.733 . 0 0 "[ . 1 . 2]" 1
862 1 54 LYS H 1 54 LYS HG3 . . 3.840 2.676 2.450 2.938 . 0 0 "[ . 1 . 2]" 1
863 1 54 LYS H 1 55 THR H . . 3.560 2.703 2.612 2.777 . 0 0 "[ . 1 . 2]" 1
864 1 54 LYS H 1 55 THR HB . . 5.500 4.608 4.436 4.752 . 0 0 "[ . 1 . 2]" 1
865 1 54 LYS H 1 56 ILE H . . 5.020 4.243 4.134 4.502 . 0 0 "[ . 1 . 2]" 1
866 1 54 LYS HA 1 54 LYS QD . . 3.560 3.615 3.419 3.661 0.101 11 0 "[ . 1 . 2]" 1
867 1 54 LYS HA 1 54 LYS HG3 . . 3.720 3.721 3.619 3.785 0.065 8 0 "[ . 1 . 2]" 1
868 1 54 LYS QB 1 55 THR H . . 3.870 3.726 3.640 3.826 . 0 0 "[ . 1 . 2]" 1
869 1 54 LYS QD 1 54 LYS HG2 . . 2.590 2.499 2.398 2.578 . 0 0 "[ . 1 . 2]" 1
870 1 54 LYS QD 1 55 THR H . . 4.560 3.141 2.930 3.517 . 0 0 "[ . 1 . 2]" 1
871 1 54 LYS QD 1 55 THR HB . . 4.280 4.317 4.085 4.376 0.096 1 0 "[ . 1 . 2]" 1
872 1 54 LYS HG2 1 55 THR H . . 5.500 4.140 4.029 4.334 . 0 0 "[ . 1 . 2]" 1
873 1 54 LYS HG3 1 56 ILE H . . 4.960 5.034 4.993 5.048 0.088 15 0 "[ . 1 . 2]" 1
874 1 55 THR H 1 55 THR HB . . 3.080 2.174 2.059 2.328 . 0 0 "[ . 1 . 2]" 1
875 1 55 THR H 1 55 THR MG . . 3.770 3.654 3.533 3.763 . 0 0 "[ . 1 . 2]" 1
876 1 55 THR H 1 56 ILE H . . 3.440 2.709 2.386 2.819 . 0 0 "[ . 1 . 2]" 1
877 1 55 THR HA 1 55 THR MG . . 2.960 2.652 2.466 2.810 . 0 0 "[ . 1 . 2]" 1
878 1 55 THR HA 1 58 ARG H . . 3.540 3.153 2.815 3.581 0.041 10 0 "[ . 1 . 2]" 1
879 1 55 THR HA 1 58 ARG HA . . 5.360 4.986 4.582 5.421 0.061 10 0 "[ . 1 . 2]" 1
880 1 55 THR HA 1 58 ARG HB2 . . 2.930 2.406 2.118 2.785 . 0 0 "[ . 1 . 2]" 1
881 1 55 THR HA 1 58 ARG HB3 . . 3.650 2.963 2.553 3.560 . 0 0 "[ . 1 . 2]" 1
882 1 55 THR HB 1 56 ILE H . . 3.500 2.982 2.718 3.201 . 0 0 "[ . 1 . 2]" 1
883 1 55 THR HB 1 57 LEU H . . 5.300 5.351 5.241 5.385 0.085 20 0 "[ . 1 . 2]" 1
884 1 55 THR MG 1 56 ILE H . . 3.740 3.320 2.831 3.713 . 0 0 "[ . 1 . 2]" 1
885 1 55 THR MG 1 56 ILE HA . . 4.280 3.426 2.995 3.810 . 0 0 "[ . 1 . 2]" 1
886 1 55 THR MG 1 58 ARG H . . 5.380 4.607 4.342 4.799 . 0 0 "[ . 1 . 2]" 1
887 1 55 THR MG 1 58 ARG HB2 . . 4.340 4.092 3.621 4.434 0.094 5 0 "[ . 1 . 2]" 1
888 1 55 THR MG 1 58 ARG HB3 . . 4.570 3.487 2.989 4.073 . 0 0 "[ . 1 . 2]" 1
889 1 55 THR MG 1 59 GLU H . . 5.080 3.581 3.353 3.711 . 0 0 "[ . 1 . 2]" 1
890 1 55 THR MG 1 59 GLU QB . . 4.620 3.830 2.481 4.034 . 0 0 "[ . 1 . 2]" 1
891 1 55 THR MG 1 59 GLU QG . . 3.770 2.270 2.046 3.670 . 0 0 "[ . 1 . 2]" 1
892 1 56 ILE H 1 56 ILE HB . . 3.100 2.371 2.225 2.532 . 0 0 "[ . 1 . 2]" 1
893 1 56 ILE H 1 56 ILE MD . . 3.850 3.928 3.869 3.958 0.108 4 0 "[ . 1 . 2]" 1
894 1 56 ILE H 1 56 ILE HG12 . . 3.600 2.464 2.368 2.562 . 0 0 "[ . 1 . 2]" 1
895 1 56 ILE H 1 56 ILE HG13 . . 3.430 3.390 3.131 3.502 0.072 9 0 "[ . 1 . 2]" 1
896 1 56 ILE H 1 56 ILE MG . . 4.100 3.785 3.648 3.876 . 0 0 "[ . 1 . 2]" 1
897 1 56 ILE H 1 57 LEU H . . 3.460 2.815 2.685 3.020 . 0 0 "[ . 1 . 2]" 1
898 1 56 ILE H 1 58 ARG H . . 5.290 4.312 4.008 4.567 . 0 0 "[ . 1 . 2]" 1
899 1 56 ILE H 1 58 ARG HB2 . . 5.350 5.280 5.037 5.419 0.069 9 0 "[ . 1 . 2]" 1
900 1 56 ILE H 1 59 GLU H . . 5.500 4.721 4.633 4.808 . 0 0 "[ . 1 . 2]" 1
901 1 56 ILE HA 1 56 ILE MD . . 3.700 2.402 2.171 2.699 . 0 0 "[ . 1 . 2]" 1
902 1 56 ILE HA 1 56 ILE HG12 . . 3.290 2.553 2.452 2.648 . 0 0 "[ . 1 . 2]" 1
903 1 56 ILE HA 1 56 ILE HG13 . . 3.560 3.640 3.615 3.652 0.092 6 0 "[ . 1 . 2]" 1
904 1 56 ILE HA 1 56 ILE MG . . 2.990 2.654 2.530 2.829 . 0 0 "[ . 1 . 2]" 1
905 1 56 ILE HA 1 58 ARG H . . 4.580 4.608 4.292 4.674 0.094 20 0 "[ . 1 . 2]" 1
906 1 56 ILE HA 1 59 GLU H . . 3.550 3.503 3.341 3.620 0.070 17 0 "[ . 1 . 2]" 1
907 1 56 ILE HA 1 59 GLU QB . . 3.490 2.660 2.337 2.820 . 0 0 "[ . 1 . 2]" 1
908 1 56 ILE HA 1 59 GLU QG . . 4.340 2.551 1.999 3.351 . 0 0 "[ . 1 . 2]" 1
909 1 56 ILE HA 1 60 ARG H . . 5.130 4.418 3.982 4.760 . 0 0 "[ . 1 . 2]" 1
910 1 56 ILE HB 1 56 ILE MD . . 3.380 3.213 3.173 3.241 . 0 0 "[ . 1 . 2]" 1
911 1 56 ILE HB 1 57 LEU H . . 3.380 2.723 2.576 2.992 . 0 0 "[ . 1 . 2]" 1
912 1 56 ILE MD 1 56 ILE MG . . 2.970 1.999 1.902 2.050 . 0 0 "[ . 1 . 2]" 1
913 1 56 ILE MD 1 59 GLU H . . 5.500 5.335 4.995 5.594 0.094 2 0 "[ . 1 . 2]" 1
914 1 56 ILE HG12 1 57 LEU H . . 4.950 4.579 4.458 4.689 . 0 0 "[ . 1 . 2]" 1
915 1 56 ILE MG 1 57 LEU H . . 3.760 3.134 2.921 3.326 . 0 0 "[ . 1 . 2]" 1
916 1 56 ILE MG 1 59 GLU QB . . 4.600 3.834 3.439 4.309 . 0 0 "[ . 1 . 2]" 1
917 1 56 ILE MG 1 60 ARG H . . 4.620 4.435 4.012 4.710 0.090 13 0 "[ . 1 . 2]" 1
918 1 56 ILE MG 1 60 ARG HB2 . . 4.560 4.482 3.939 5.417 0.857 7 2 "[ . + 1 . -]" 1
919 1 57 LEU H 1 57 LEU HB2 . . 3.580 2.528 2.250 2.863 . 0 0 "[ . 1 . 2]" 1
920 1 57 LEU H 1 57 LEU HB3 . . 2.970 2.598 2.169 3.018 0.048 9 0 "[ . 1 . 2]" 1
921 1 57 LEU H 1 58 ARG H . . 3.470 2.766 2.608 2.923 . 0 0 "[ . 1 . 2]" 1
922 1 57 LEU H 1 58 ARG HB2 . . 5.150 4.625 4.352 4.874 . 0 0 "[ . 1 . 2]" 1
923 1 57 LEU HA 1 57 LEU QD . . 2.790 2.423 1.969 2.802 0.012 19 0 "[ . 1 . 2]" 1
924 1 57 LEU HA 1 57 LEU HG . . 3.400 2.992 2.113 3.523 0.123 20 0 "[ . 1 . 2]" 1
925 1 57 LEU HA 1 60 ARG H . . 4.200 3.512 3.256 3.910 . 0 0 "[ . 1 . 2]" 1
926 1 57 LEU HA 1 60 ARG QD . . 4.030 3.436 2.308 4.130 0.100 19 0 "[ . 1 . 2]" 1
927 1 57 LEU HA 1 61 GLU H . . 4.780 4.578 4.207 4.777 . 0 0 "[ . 1 . 2]" 1
928 1 57 LEU HB2 1 57 LEU QD . . 3.120 2.189 2.085 2.333 . 0 0 "[ . 1 . 2]" 1
929 1 57 LEU HB2 1 58 ARG H . . 3.960 3.782 3.526 4.031 0.071 20 0 "[ . 1 . 2]" 1
930 1 57 LEU HB3 1 57 LEU QD . . 3.110 2.284 2.128 2.553 . 0 0 "[ . 1 . 2]" 1
931 1 57 LEU HB3 1 58 ARG H . . 3.790 2.575 2.234 2.884 . 0 0 "[ . 1 . 2]" 1
932 1 57 LEU HB3 1 58 ARG HB2 . . 4.520 4.253 3.808 4.546 0.026 11 0 "[ . 1 . 2]" 1
933 1 57 LEU HB3 1 60 ARG H . . 5.500 5.479 5.298 5.570 0.070 2 0 "[ . 1 . 2]" 1
934 1 57 LEU QD 1 58 ARG H . . 3.750 3.560 3.287 3.724 . 0 0 "[ . 1 . 2]" 1
935 1 57 LEU HG 1 61 GLU HG2 . . 5.080 4.557 3.331 5.160 0.080 7 0 "[ . 1 . 2]" 1
936 1 57 LEU HG 1 61 GLU HG3 . . 4.780 3.949 2.260 4.845 0.065 6 0 "[ . 1 . 2]" 1
937 1 58 ARG H 1 58 ARG HB2 . . 2.970 2.117 2.006 2.265 . 0 0 "[ . 1 . 2]" 1
938 1 58 ARG H 1 58 ARG HB3 . . 3.050 3.104 2.941 3.265 0.215 20 0 "[ . 1 . 2]" 1
939 1 58 ARG H 1 58 ARG HD2 . . 5.410 4.988 4.681 5.399 . 0 0 "[ . 1 . 2]" 1
940 1 58 ARG H 1 58 ARG HD3 . . 5.500 4.883 3.463 5.449 . 0 0 "[ . 1 . 2]" 1
941 1 58 ARG H 1 58 ARG QG . . 3.780 3.651 3.268 3.871 0.091 7 0 "[ . 1 . 2]" 1
942 1 58 ARG H 1 59 GLU H . . 3.140 2.855 2.453 3.047 . 0 0 "[ . 1 . 2]" 1
943 1 58 ARG H 1 59 GLU QG . . 5.500 4.418 4.122 5.098 . 0 0 "[ . 1 . 2]" 1
944 1 58 ARG HA 1 58 ARG HD2 . . 3.380 3.060 2.309 3.460 0.080 18 0 "[ . 1 . 2]" 1
945 1 58 ARG HA 1 58 ARG HD3 . . 3.610 2.444 1.978 3.092 . 0 0 "[ . 1 . 2]" 1
946 1 58 ARG HA 1 58 ARG QG . . 3.220 2.453 2.242 3.067 . 0 0 "[ . 1 . 2]" 1
947 1 58 ARG HA 1 62 LEU H . . 4.730 4.549 4.174 4.801 0.071 6 0 "[ . 1 . 2]" 1
948 1 58 ARG HA 1 62 LEU QD . . 4.390 3.503 3.108 3.741 . 0 0 "[ . 1 . 2]" 1
949 1 58 ARG HB2 1 58 ARG HD3 . . 4.170 3.855 2.601 4.185 0.015 19 0 "[ . 1 . 2]" 1
950 1 58 ARG HB2 1 59 GLU H . . 3.270 3.316 3.201 3.353 0.083 12 0 "[ . 1 . 2]" 1
951 1 58 ARG HB3 1 58 ARG HD3 . . 3.890 3.473 3.012 3.811 . 0 0 "[ . 1 . 2]" 1
952 1 58 ARG HB3 1 59 GLU H . . 3.300 2.547 2.287 3.039 . 0 0 "[ . 1 . 2]" 1
953 1 58 ARG HB3 1 62 LEU QD . . 4.400 3.596 2.944 4.128 . 0 0 "[ . 1 . 2]" 1
954 1 58 ARG HD2 1 59 GLU H . . 5.500 4.343 3.744 5.204 . 0 0 "[ . 1 . 2]" 1
955 1 58 ARG HD2 1 62 LEU H . . 5.500 4.273 3.706 5.546 0.046 7 0 "[ . 1 . 2]" 1
956 1 58 ARG HD2 1 62 LEU QD . . 3.560 2.070 1.915 2.310 . 0 0 "[ . 1 . 2]" 1
957 1 58 ARG HD3 1 59 GLU H . . 4.730 4.943 4.479 5.583 0.853 2 6 "[*+ . 1 * - **]" 1
958 1 58 ARG HD3 1 61 GLU QB . . 4.970 2.767 2.210 3.691 . 0 0 "[ . 1 . 2]" 1
959 1 58 ARG HD3 1 61 GLU HG3 . . 4.550 3.885 3.234 4.589 0.039 1 0 "[ . 1 . 2]" 1
960 1 58 ARG HD3 1 62 LEU QD . . 4.230 2.414 2.034 3.538 . 0 0 "[ . 1 . 2]" 1
961 1 58 ARG HD3 1 62 LEU HG . . 4.460 4.722 4.465 5.125 0.665 19 3 "[ - . 1 * . +2]" 1
962 1 58 ARG QG 1 59 GLU H . . 4.350 4.389 4.151 4.622 0.272 20 0 "[ . 1 . 2]" 1
963 1 59 GLU H 1 59 GLU QB . . 3.050 2.511 1.644 2.774 . 0 0 "[ . 1 . 2]" 1
964 1 59 GLU H 1 59 GLU QG . . 3.340 2.227 2.011 2.931 . 0 0 "[ . 1 . 2]" 1
965 1 59 GLU HA 1 59 GLU QG . . 3.470 2.566 2.154 3.009 . 0 0 "[ . 1 . 2]" 1
966 1 59 GLU HA 1 62 LEU H . . 4.300 4.005 3.742 4.313 0.013 20 0 "[ . 1 . 2]" 1
967 1 59 GLU HA 1 62 LEU QD . . 3.860 2.536 2.124 3.062 . 0 0 "[ . 1 . 2]" 1
968 1 59 GLU HA 1 64 ILE H . . 4.440 3.455 2.981 4.068 . 0 0 "[ . 1 . 2]" 1
969 1 59 GLU HA 1 64 ILE HB . . 3.780 2.346 1.972 2.771 . 0 0 "[ . 1 . 2]" 1
970 1 59 GLU HA 1 64 ILE MD . . 4.390 4.147 1.988 4.499 0.109 9 0 "[ . 1 . 2]" 1
971 1 59 GLU HA 1 64 ILE QG . . 4.440 2.832 2.243 3.382 . 0 0 "[ . 1 . 2]" 1
972 1 59 GLU HA 1 65 ARG H . . 5.500 4.527 3.241 5.582 0.082 17 0 "[ . 1 . 2]" 1
973 1 59 GLU QB 1 60 ARG H . . 3.730 2.841 2.543 3.284 . 0 0 "[ . 1 . 2]" 1
974 1 59 GLU QB 1 60 ARG QG . . 3.450 3.315 2.974 3.529 0.079 20 0 "[ . 1 . 2]" 1
975 1 59 GLU QB 1 61 GLU H . . 5.360 4.682 4.405 4.914 . 0 0 "[ . 1 . 2]" 1
976 1 59 GLU QB 1 64 ILE HB . . 3.210 2.405 2.058 3.185 . 0 0 "[ . 1 . 2]" 1
977 1 59 GLU QB 1 64 ILE MG . . 4.160 2.790 2.285 3.727 . 0 0 "[ . 1 . 2]" 1
978 1 59 GLU QB 1 65 ARG H . . 5.500 3.578 2.138 4.775 . 0 0 "[ . 1 . 2]" 1
979 1 59 GLU QG 1 60 ARG H . . 4.490 4.036 3.055 4.307 . 0 0 "[ . 1 . 2]" 1
980 1 59 GLU QG 1 60 ARG QG . . 5.500 4.765 2.098 5.101 . 0 0 "[ . 1 . 2]" 1
981 1 59 GLU QG 1 62 LEU QD . . 4.620 4.047 3.698 4.477 . 0 0 "[ . 1 . 2]" 1
982 1 59 GLU QG 1 64 ILE HB . . 4.190 3.668 2.275 4.083 . 0 0 "[ . 1 . 2]" 1
983 1 59 GLU QG 1 64 ILE MG . . 4.090 3.473 2.196 3.837 . 0 0 "[ . 1 . 2]" 1
984 1 59 GLU QG 1 65 ARG QG . . 3.840 3.530 2.996 3.803 . 0 0 "[ . 1 . 2]" 1
985 1 60 ARG H 1 60 ARG HB2 . . 3.030 2.604 2.333 3.602 0.572 20 2 "[ . - 1 . +]" 1
986 1 60 ARG H 1 60 ARG QG . . 3.820 2.583 1.837 2.839 . 0 0 "[ . 1 . 2]" 1
987 1 60 ARG H 1 61 GLU H . . 3.280 2.387 2.152 2.591 . 0 0 "[ . 1 . 2]" 1
988 1 60 ARG H 1 62 LEU H . . 4.540 4.518 3.743 4.638 0.098 20 0 "[ . 1 . 2]" 1
989 1 60 ARG HA 1 60 ARG QG . . 3.510 2.506 2.206 3.321 . 0 0 "[ . 1 . 2]" 1
990 1 60 ARG HA 1 61 GLU H . . 3.360 3.433 3.302 3.449 0.089 4 0 "[ . 1 . 2]" 1
991 1 60 ARG QG 1 61 GLU H . . 5.350 4.207 3.021 4.533 . 0 0 "[ . 1 . 2]" 1
992 1 61 GLU H 1 61 GLU HA . . 2.910 2.872 2.797 2.932 0.022 7 0 "[ . 1 . 2]" 1
993 1 61 GLU H 1 61 GLU QB . . 3.140 2.517 2.160 2.679 . 0 0 "[ . 1 . 2]" 1
994 1 61 GLU H 1 61 GLU HG2 . . 3.590 3.389 2.222 3.669 0.079 7 0 "[ . 1 . 2]" 1
995 1 61 GLU H 1 61 GLU HG3 . . 3.040 2.558 2.289 3.523 0.483 2 0 "[ . 1 . 2]" 1
996 1 61 GLU H 1 62 LEU H . . 3.330 2.826 2.168 3.068 . 0 0 "[ . 1 . 2]" 1
997 1 61 GLU H 1 62 LEU QD . . 3.860 3.354 2.976 3.522 . 0 0 "[ . 1 . 2]" 1
998 1 61 GLU HA 1 61 GLU HG2 . . 3.520 2.554 2.115 2.925 . 0 0 "[ . 1 . 2]" 1
999 1 61 GLU HA 1 61 GLU HG3 . . 3.560 3.250 2.971 3.621 0.061 2 0 "[ . 1 . 2]" 1
1000 1 61 GLU QB 1 62 LEU H . . 3.720 2.493 2.203 3.226 . 0 0 "[ . 1 . 2]" 1
1001 1 61 GLU QB 1 62 LEU QD . . 3.330 2.026 1.740 2.532 . 0 0 "[ . 1 . 2]" 1
1002 1 61 GLU QB 1 62 LEU HG . . 5.040 4.541 2.238 4.903 . 0 0 "[ . 1 . 2]" 1
1003 1 61 GLU HG2 1 62 LEU H . . 5.460 4.985 4.369 5.192 . 0 0 "[ . 1 . 2]" 1
1004 1 61 GLU HG2 1 62 LEU QD . . 5.090 4.457 3.979 4.843 . 0 0 "[ . 1 . 2]" 1
1005 1 62 LEU H 1 62 LEU HB2 . . 2.980 2.911 2.325 3.064 0.084 4 0 "[ . 1 . 2]" 1
1006 1 62 LEU H 1 62 LEU HB3 . . 3.490 3.545 3.472 3.583 0.093 20 0 "[ . 1 . 2]" 1
1007 1 62 LEU H 1 62 LEU QD . . 3.790 1.848 1.603 3.141 . 0 0 "[ . 1 . 2]" 1
1008 1 62 LEU H 1 62 LEU HG . . 3.530 3.574 2.634 3.632 0.102 20 0 "[ . 1 . 2]" 1
1009 1 62 LEU H 1 64 ILE HB . . 5.240 5.067 4.656 5.317 0.077 18 0 "[ . 1 . 2]" 1
1010 1 62 LEU H 1 64 ILE QG . . 4.680 3.971 3.459 4.266 . 0 0 "[ . 1 . 2]" 1
1011 1 62 LEU HA 1 62 LEU QD . . 2.670 2.535 2.096 2.712 0.042 12 0 "[ . 1 . 2]" 1
1012 1 62 LEU HA 1 62 LEU HG . . 3.870 3.777 3.323 3.936 0.066 4 0 "[ . 1 . 2]" 1
1013 1 62 LEU HA 1 64 ILE H . . 5.500 5.114 4.383 5.573 0.073 6 0 "[ . 1 . 2]" 1
1014 1 62 LEU HB2 1 62 LEU QD . . 3.140 2.190 2.138 2.321 . 0 0 "[ . 1 . 2]" 1
1015 1 62 LEU HB2 1 63 GLY H . . 4.090 3.128 2.306 3.736 . 0 0 "[ . 1 . 2]" 1
1016 1 62 LEU HB2 1 63 GLY HA3 . . 4.800 4.515 3.763 4.864 0.064 7 0 "[ . 1 . 2]" 1
1017 1 62 LEU HB3 1 62 LEU QD . . 2.850 2.516 2.212 2.630 . 0 0 "[ . 1 . 2]" 1
1018 1 62 LEU HB3 1 63 GLY H . . 4.390 4.000 2.079 4.469 0.079 11 0 "[ . 1 . 2]" 1
1019 1 62 LEU QD 1 63 GLY H . . 4.560 3.331 2.487 4.045 . 0 0 "[ . 1 . 2]" 1
1020 1 62 LEU QD 1 64 ILE H . . 3.810 3.378 3.045 3.791 . 0 0 "[ . 1 . 2]" 1
1021 1 63 GLY H 1 64 ILE QG . . 5.500 3.683 2.810 4.124 . 0 0 "[ . 1 . 2]" 1
1022 1 63 GLY HA2 1 64 ILE HA . . 4.590 4.679 4.480 4.902 0.312 9 0 "[ . 1 . 2]" 1
1023 1 63 GLY HA2 1 65 ARG H . . 5.500 3.444 2.504 5.279 . 0 0 "[ . 1 . 2]" 1
1024 1 64 ILE H 1 64 ILE HB . . 3.060 2.278 2.136 2.436 . 0 0 "[ . 1 . 2]" 1
1025 1 64 ILE H 1 64 ILE MD . . 3.810 3.545 2.909 3.893 0.083 17 0 "[ . 1 . 2]" 1
1026 1 64 ILE H 1 64 ILE QG . . 3.600 2.293 1.963 2.644 . 0 0 "[ . 1 . 2]" 1
1027 1 64 ILE H 1 64 ILE MG . . 3.530 3.643 3.610 3.666 0.136 20 0 "[ . 1 . 2]" 1
1028 1 64 ILE H 1 65 ARG H . . 3.990 2.512 1.911 4.082 0.092 17 0 "[ . 1 . 2]" 1
1029 1 64 ILE H 1 65 ARG HA . . 5.500 5.096 4.714 5.556 0.056 17 0 "[ . 1 . 2]" 1
1030 1 64 ILE HA 1 64 ILE MD . . 4.350 2.447 1.970 3.954 . 0 0 "[ . 1 . 2]" 1
1031 1 64 ILE HA 1 64 ILE QG . . 3.740 2.856 2.312 3.154 . 0 0 "[ . 1 . 2]" 1
1032 1 64 ILE HA 1 64 ILE MG . . 3.210 2.487 2.321 2.723 . 0 0 "[ . 1 . 2]" 1
1033 1 64 ILE HA 1 65 ARG H . . 3.370 3.374 2.038 3.462 0.092 6 0 "[ . 1 . 2]" 1
1034 1 64 ILE HA 1 66 ARG H . . 5.440 4.350 3.725 5.343 . 0 0 "[ . 1 . 2]" 1
1035 1 64 ILE MD 1 65 ARG H . . 4.830 4.789 4.275 4.932 0.102 14 0 "[ . 1 . 2]" 1
1036 1 64 ILE QG 1 64 ILE MG . . 3.050 2.297 2.156 2.504 . 0 0 "[ . 1 . 2]" 1
1037 1 64 ILE QG 1 65 ARG H . . 5.500 4.163 3.661 4.386 . 0 0 "[ . 1 . 2]" 1
1038 1 64 ILE MG 1 65 ARG H . . 4.100 3.548 2.403 3.997 . 0 0 "[ . 1 . 2]" 1
1039 1 64 ILE MG 1 65 ARG QG . . 4.010 2.566 2.118 3.604 . 0 0 "[ . 1 . 2]" 1
1040 1 64 ILE MG 1 66 ARG H . . 5.140 4.937 4.016 5.251 0.111 15 0 "[ . 1 . 2]" 1
1041 1 65 ARG H 1 65 ARG HB2 . . 3.720 2.750 2.223 3.804 0.084 15 0 "[ . 1 . 2]" 1
1042 1 65 ARG H 1 65 ARG HB3 . . 4.020 3.750 3.465 4.019 . 0 0 "[ . 1 . 2]" 1
1043 1 65 ARG H 1 65 ARG QD . . 5.500 4.612 2.588 5.344 . 0 0 "[ . 1 . 2]" 1
1044 1 65 ARG H 1 65 ARG QG . . 4.440 3.315 2.687 3.907 . 0 0 "[ . 1 . 2]" 1
1045 1 65 ARG H 1 66 ARG H . . 4.100 2.712 1.858 3.366 . 0 0 "[ . 1 . 2]" 1
1046 1 65 ARG H 1 66 ARG HA . . 4.200 4.221 3.858 4.302 0.102 4 0 "[ . 1 . 2]" 1
1047 1 65 ARG HA 1 65 ARG QD . . 3.820 2.919 2.061 3.905 0.085 18 0 "[ . 1 . 2]" 1
1048 1 65 ARG HA 1 65 ARG QG . . 3.730 2.682 2.194 3.465 . 0 0 "[ . 1 . 2]" 1
1049 1 65 ARG HA 1 66 ARG H . . 2.920 2.617 2.065 3.008 0.088 16 0 "[ . 1 . 2]" 1
1050 1 65 ARG HA 1 66 ARG QB . . 4.530 4.267 3.865 4.460 . 0 0 "[ . 1 . 2]" 1
1051 1 65 ARG HB2 1 65 ARG QG . . 2.690 2.207 2.141 2.402 . 0 0 "[ . 1 . 2]" 1
1052 1 65 ARG HB2 1 66 ARG H . . 4.280 4.250 3.786 4.539 0.259 14 0 "[ . 1 . 2]" 1
1053 1 65 ARG HB3 1 66 ARG H . . 4.680 4.293 3.448 4.555 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ARG H 1 66 ARG QB . . 3.590 2.574 2.030 3.202 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ARG H 1 66 ARG QD . . 5.030 4.473 3.597 5.102 0.072 3 0 "[ . 1 . 2]" 1
1056 1 66 ARG H 1 66 ARG QG . . 3.770 3.251 1.981 3.869 0.099 13 0 "[ . 1 . 2]" 1
1057 1 66 ARG HA 1 66 ARG QG . . 4.010 2.523 2.065 3.490 . 0 0 "[ . 1 . 2]" 1
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