NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572450 |
2mh3   |
19614 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh3
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 2018
_Distance_constraint_stats_list.Viol_count 4737
_Distance_constraint_stats_list.Viol_total 4532.315
_Distance_constraint_stats_list.Viol_max 0.404
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0478
_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 11 LYS 3.306 0.215 19 0 "[ . 1 . 2]"
1 12 SER 2.466 0.176 5 0 "[ . 1 . 2]"
1 13 SER 2.091 0.175 20 0 "[ . 1 . 2]"
1 14 LYS 8.215 0.229 6 0 "[ . 1 . 2]"
1 15 PRO 3.229 0.229 6 0 "[ . 1 . 2]"
1 16 ILE 2.731 0.094 6 0 "[ . 1 . 2]"
1 17 MET 4.488 0.126 12 0 "[ . 1 . 2]"
1 18 GLU 2.554 0.135 6 0 "[ . 1 . 2]"
1 19 LYS 3.304 0.162 19 0 "[ . 1 . 2]"
1 20 ARG 2.117 0.107 19 0 "[ . 1 . 2]"
1 21 ARG 1.777 0.104 13 0 "[ . 1 . 2]"
1 22 ARG 1.745 0.104 13 0 "[ . 1 . 2]"
1 23 ALA 1.723 0.123 15 0 "[ . 1 . 2]"
1 24 ARG 0.431 0.047 17 0 "[ . 1 . 2]"
1 25 ILE 4.332 0.111 6 0 "[ . 1 . 2]"
1 26 ASN 3.609 0.104 2 0 "[ . 1 . 2]"
1 27 GLU 2.934 0.123 15 0 "[ . 1 . 2]"
1 28 SER 2.184 0.140 15 0 "[ . 1 . 2]"
1 29 LEU 1.911 0.088 17 0 "[ . 1 . 2]"
1 30 SER 1.126 0.094 5 0 "[ . 1 . 2]"
1 31 GLN 0.626 0.112 1 0 "[ . 1 . 2]"
1 32 LEU 1.058 0.053 2 0 "[ . 1 . 2]"
1 33 LYS 2.356 0.182 2 0 "[ . 1 . 2]"
1 34 THR 1.708 0.097 10 0 "[ . 1 . 2]"
1 35 LEU 0.450 0.060 17 0 "[ . 1 . 2]"
1 36 ILE 2.410 0.099 9 0 "[ . 1 . 2]"
1 37 LEU 3.132 0.290 5 0 "[ . 1 . 2]"
1 38 ASP 5.373 0.242 14 0 "[ . 1 . 2]"
1 39 ALA 3.872 0.205 15 0 "[ . 1 . 2]"
1 40 LEU 6.496 0.371 9 0 "[ . 1 . 2]"
1 41 LYS 8.035 0.371 9 0 "[ . 1 . 2]"
1 42 LYS 4.453 0.176 9 0 "[ . 1 . 2]"
1 43 ASP 6.822 0.180 12 0 "[ . 1 . 2]"
1 44 SER 3.509 0.180 12 0 "[ . 1 . 2]"
1 45 SER 1.026 0.147 9 0 "[ . 1 . 2]"
1 46 ARG 4.453 0.274 16 0 "[ . 1 . 2]"
1 47 HIS 1.835 0.157 10 0 "[ . 1 . 2]"
1 48 SER 1.552 0.225 8 0 "[ . 1 . 2]"
1 49 LYS 3.867 0.225 8 0 "[ . 1 . 2]"
1 50 LEU 8.905 0.274 16 0 "[ . 1 . 2]"
1 51 GLU 1.897 0.093 2 0 "[ . 1 . 2]"
1 52 LYS 5.279 0.162 10 0 "[ . 1 . 2]"
1 53 ALA 1.535 0.085 19 0 "[ . 1 . 2]"
1 54 ASP 6.379 0.170 8 0 "[ . 1 . 2]"
1 55 ILE 5.071 0.182 14 0 "[ . 1 . 2]"
1 56 LEU 3.322 0.162 10 0 "[ . 1 . 2]"
1 57 GLU 5.018 0.172 10 0 "[ . 1 . 2]"
1 58 MET 4.332 0.200 10 0 "[ . 1 . 2]"
1 59 THR 8.111 0.278 5 0 "[ . 1 . 2]"
1 60 VAL 4.849 0.211 5 0 "[ . 1 . 2]"
1 61 LYS 6.448 0.200 10 0 "[ . 1 . 2]"
1 62 HIS 0.451 0.072 3 0 "[ . 1 . 2]"
1 63 LEU 2.637 0.170 11 0 "[ . 1 . 2]"
1 64 ARG 2.323 0.170 11 0 "[ . 1 . 2]"
1 65 ASN 4.391 0.114 13 0 "[ . 1 . 2]"
1 66 LEU 2.434 0.185 9 0 "[ . 1 . 2]"
1 67 GLN 6.282 0.117 2 0 "[ . 1 . 2]"
1 68 ARG 4.390 0.262 11 0 "[ . 1 . 2]"
1 69 ALA 1.751 0.185 9 0 "[ . 1 . 2]"
1 70 GLN 5.309 0.262 11 0 "[ . 1 . 2]"
2 11 LYS 3.457 0.217 18 0 "[ . 1 . 2]"
2 12 SER 3.013 0.217 18 0 "[ . 1 . 2]"
2 13 SER 2.466 0.190 17 0 "[ . 1 . 2]"
2 14 LYS 7.859 0.232 17 0 "[ . 1 . 2]"
2 15 PRO 2.405 0.199 19 0 "[ . 1 . 2]"
2 16 ILE 2.712 0.114 12 0 "[ . 1 . 2]"
2 17 MET 4.743 0.180 4 0 "[ . 1 . 2]"
2 18 GLU 2.648 0.104 6 0 "[ . 1 . 2]"
2 19 LYS 3.802 0.156 14 0 "[ . 1 . 2]"
2 20 ARG 1.931 0.084 6 0 "[ . 1 . 2]"
2 21 ARG 1.597 0.134 10 0 "[ . 1 . 2]"
2 22 ARG 1.939 0.134 10 0 "[ . 1 . 2]"
2 23 ALA 1.745 0.105 7 0 "[ . 1 . 2]"
2 24 ARG 0.513 0.057 20 0 "[ . 1 . 2]"
2 25 ILE 4.534 0.116 10 0 "[ . 1 . 2]"
2 26 ASN 3.004 0.113 5 0 "[ . 1 . 2]"
2 27 GLU 1.977 0.105 7 0 "[ . 1 . 2]"
2 28 SER 2.112 0.123 10 0 "[ . 1 . 2]"
2 29 LEU 2.034 0.105 13 0 "[ . 1 . 2]"
2 30 SER 0.796 0.113 5 0 "[ . 1 . 2]"
2 31 GLN 0.691 0.111 19 0 "[ . 1 . 2]"
2 32 LEU 0.899 0.057 5 0 "[ . 1 . 2]"
2 33 LYS 2.215 0.163 10 0 "[ . 1 . 2]"
2 34 THR 2.169 0.104 11 0 "[ . 1 . 2]"
2 35 LEU 0.395 0.104 11 0 "[ . 1 . 2]"
2 36 ILE 2.555 0.093 12 0 "[ . 1 . 2]"
2 37 LEU 2.054 0.208 5 0 "[ . 1 . 2]"
2 38 ASP 5.592 0.222 10 0 "[ . 1 . 2]"
2 39 ALA 4.064 0.186 5 0 "[ . 1 . 2]"
2 40 LEU 5.507 0.404 9 0 "[ . 1 . 2]"
2 41 LYS 8.405 0.404 9 0 "[ . 1 . 2]"
2 42 LYS 3.861 0.197 4 0 "[ . 1 . 2]"
2 43 ASP 7.096 0.181 10 0 "[ . 1 . 2]"
2 44 SER 4.196 0.181 10 0 "[ . 1 . 2]"
2 45 SER 0.776 0.118 12 0 "[ . 1 . 2]"
2 46 ARG 4.717 0.245 1 0 "[ . 1 . 2]"
2 47 HIS 1.882 0.178 19 0 "[ . 1 . 2]"
2 48 SER 1.433 0.186 2 0 "[ . 1 . 2]"
2 49 LYS 4.456 0.227 13 0 "[ . 1 . 2]"
2 50 LEU 9.351 0.245 1 0 "[ . 1 . 2]"
2 51 GLU 2.791 0.142 20 0 "[ . 1 . 2]"
2 52 LYS 5.417 0.193 9 0 "[ . 1 . 2]"
2 53 ALA 1.497 0.112 2 0 "[ . 1 . 2]"
2 54 ASP 6.553 0.191 7 0 "[ . 1 . 2]"
2 55 ILE 4.683 0.191 7 0 "[ . 1 . 2]"
2 56 LEU 2.986 0.193 9 0 "[ . 1 . 2]"
2 57 GLU 4.865 0.159 4 0 "[ . 1 . 2]"
2 58 MET 3.818 0.141 14 0 "[ . 1 . 2]"
2 59 THR 7.440 0.211 5 0 "[ . 1 . 2]"
2 60 VAL 5.264 0.278 5 0 "[ . 1 . 2]"
2 61 LYS 6.858 0.159 4 0 "[ . 1 . 2]"
2 62 HIS 0.311 0.065 4 0 "[ . 1 . 2]"
2 63 LEU 2.514 0.165 12 0 "[ . 1 . 2]"
2 64 ARG 2.244 0.165 12 0 "[ . 1 . 2]"
2 65 ASN 3.865 0.116 3 0 "[ . 1 . 2]"
2 66 LEU 2.220 0.112 6 0 "[ . 1 . 2]"
2 67 GLN 6.209 0.115 9 0 "[ . 1 . 2]"
2 68 ARG 4.666 0.231 4 0 "[ . 1 . 2]"
2 69 ALA 1.295 0.111 1 0 "[ . 1 . 2]"
2 70 GLN 5.427 0.231 4 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 30 SER H 1 31 GLN HG2 4.790 . 4.790 4.256 4.024 4.444 . 0 0 "[ . 1 . 2]" 1
2 2 30 SER H 2 31 GLN HG2 4.790 . 4.790 4.208 4.021 4.490 . 0 0 "[ . 1 . 2]" 1
3 1 30 SER H 1 31 GLN QB 5.140 . 5.140 5.076 4.932 5.166 0.026 18 0 "[ . 1 . 2]" 1
4 2 30 SER H 2 31 GLN QB 5.140 . 5.140 5.068 4.945 5.165 0.025 5 0 "[ . 1 . 2]" 1
5 1 29 LEU HB3 1 30 SER H 3.810 . 3.810 2.617 2.438 2.802 . 0 0 "[ . 1 . 2]" 1
6 2 29 LEU HB3 2 30 SER H 3.810 . 3.810 2.643 2.469 2.788 . 0 0 "[ . 1 . 2]" 1
7 1 30 SER H 1 30 SER QB 3.090 . 3.090 2.308 2.209 2.585 . 0 0 "[ . 1 . 2]" 1
8 2 30 SER H 2 30 SER QB 3.090 . 3.090 2.316 2.170 2.567 . 0 0 "[ . 1 . 2]" 1
9 1 29 LEU H 1 30 SER H 3.900 . 3.900 2.582 2.438 2.670 . 0 0 "[ . 1 . 2]" 1
10 2 29 LEU H 2 30 SER H 3.900 . 3.900 2.580 2.429 2.693 . 0 0 "[ . 1 . 2]" 1
11 1 48 SER QB 1 49 LYS H 3.960 . 3.960 3.415 2.318 3.978 0.018 7 0 "[ . 1 . 2]" 1
12 2 48 SER QB 2 49 LYS H 3.960 . 3.960 3.408 3.042 3.901 . 0 0 "[ . 1 . 2]" 1
13 1 49 LYS H 1 49 LYS QE 4.720 . 4.720 4.498 4.375 4.841 0.121 19 0 "[ . 1 . 2]" 1
14 2 49 LYS H 2 49 LYS QE 4.720 . 4.720 4.477 4.201 4.803 0.083 19 0 "[ . 1 . 2]" 1
15 1 11 LYS H 1 12 SER HA 5.250 . 5.250 4.664 4.136 5.426 0.176 5 0 "[ . 1 . 2]" 1
16 2 11 LYS H 2 12 SER HA 5.250 . 5.250 4.838 3.985 5.467 0.217 18 0 "[ . 1 . 2]" 1
17 1 11 LYS H 1 12 SER QB 5.070 . 5.070 4.694 3.711 5.209 0.139 15 0 "[ . 1 . 2]" 1
18 2 11 LYS H 2 12 SER QB 5.070 . 5.070 4.707 3.785 5.142 0.072 8 0 "[ . 1 . 2]" 1
19 1 11 LYS H 1 11 LYS QG 4.400 . 4.400 4.075 3.073 4.446 0.046 9 0 "[ . 1 . 2]" 1
20 2 11 LYS H 2 11 LYS QG 4.400 . 4.400 4.058 1.811 4.405 0.005 9 0 "[ . 1 . 2]" 1
21 1 62 HIS H 1 63 LEU H 4.070 . 4.070 2.568 2.459 2.690 . 0 0 "[ . 1 . 2]" 1
22 2 62 HIS H 2 63 LEU H 4.070 . 4.070 2.556 2.461 2.706 . 0 0 "[ . 1 . 2]" 1
23 1 11 LYS HA 1 12 SER H 2.940 . 2.940 2.194 1.996 2.736 . 0 0 "[ . 1 . 2]" 1
24 2 11 LYS HA 2 12 SER H 2.940 . 2.940 2.144 1.925 3.053 0.113 5 0 "[ . 1 . 2]" 1
25 1 63 LEU H 1 64 ARG QD 4.020 . 4.020 4.111 3.931 4.190 0.170 11 0 "[ . 1 . 2]" 1
26 2 63 LEU H 2 64 ARG QD 4.020 . 4.020 4.107 4.029 4.185 0.165 12 0 "[ . 1 . 2]" 1
27 1 11 LYS QB 1 12 SER H 3.780 . 3.780 3.668 1.871 3.895 0.115 18 0 "[ . 1 . 2]" 1
28 2 11 LYS QB 2 12 SER H 3.780 . 3.780 3.770 3.353 3.889 0.109 12 0 "[ . 1 . 2]" 1
29 1 11 LYS QG 1 12 SER H 4.170 . 4.170 3.294 2.086 4.220 0.050 19 0 "[ . 1 . 2]" 1
30 2 11 LYS QG 2 12 SER H 4.170 . 4.170 3.253 2.152 4.203 0.033 17 0 "[ . 1 . 2]" 1
31 1 59 THR MG 1 63 LEU H 5.270 . 5.270 4.666 4.440 4.979 . 0 0 "[ . 1 . 2]" 1
32 2 59 THR MG 2 63 LEU H 5.270 . 5.270 4.700 4.514 5.053 . 0 0 "[ . 1 . 2]" 1
33 1 45 SER H 1 46 ARG H 4.030 . 4.030 2.583 2.442 2.864 . 0 0 "[ . 1 . 2]" 1
34 2 45 SER H 2 46 ARG H 4.030 . 4.030 2.561 2.420 2.722 . 0 0 "[ . 1 . 2]" 1
35 1 43 ASP HA 1 45 SER H 4.390 . 4.390 3.789 3.367 3.993 . 0 0 "[ . 1 . 2]" 1
36 2 43 ASP HA 2 45 SER H 4.390 . 4.390 3.840 3.640 4.097 . 0 0 "[ . 1 . 2]" 1
37 1 12 SER HA 1 13 SER H 3.310 . 3.310 2.649 2.123 3.446 0.136 11 0 "[ . 1 . 2]" 1
38 2 12 SER HA 2 13 SER H 3.310 . 3.310 2.703 2.112 3.444 0.134 14 0 "[ . 1 . 2]" 1
39 1 13 SER H 1 13 SER QB 3.400 . 3.400 2.843 2.336 3.414 0.014 1 0 "[ . 1 . 2]" 1
40 2 13 SER H 2 13 SER QB 3.400 . 3.400 2.801 2.229 3.404 0.004 15 0 "[ . 1 . 2]" 1
41 1 14 LYS H 1 14 LYS QE 5.180 . 5.180 4.143 1.598 5.339 0.159 5 0 "[ . 1 . 2]" 1
42 2 14 LYS H 2 14 LYS QE 5.180 . 5.180 4.353 3.780 5.208 0.028 12 0 "[ . 1 . 2]" 1
43 1 14 LYS H 1 18 GLU QG 5.450 . 5.450 4.566 4.075 5.158 . 0 0 "[ . 1 . 2]" 1
44 2 14 LYS H 2 18 GLU QG 5.450 . 5.450 4.622 3.648 5.469 0.019 14 0 "[ . 1 . 2]" 1
45 1 14 LYS H 1 18 GLU QB 4.620 . 4.620 4.330 3.705 4.755 0.135 6 0 "[ . 1 . 2]" 1
46 2 14 LYS H 2 18 GLU QB 4.620 . 4.620 4.219 3.296 4.698 0.078 16 0 "[ . 1 . 2]" 1
47 1 14 LYS H 1 14 LYS HG3 4.030 . 4.030 3.774 2.120 4.065 0.035 2 0 "[ . 1 . 2]" 1
48 2 14 LYS H 2 14 LYS HG3 4.030 . 4.030 3.851 2.915 4.077 0.047 20 0 "[ . 1 . 2]" 1
49 1 13 SER HA 1 14 LYS H 3.270 . 3.270 2.916 2.182 3.445 0.175 20 0 "[ . 1 . 2]" 1
50 2 13 SER HA 2 14 LYS H 3.270 . 3.270 2.930 2.142 3.445 0.175 6 0 "[ . 1 . 2]" 1
51 1 13 SER QB 1 14 LYS H 4.000 . 4.000 2.758 1.770 3.886 . 0 0 "[ . 1 . 2]" 1
52 2 13 SER QB 2 14 LYS H 4.000 . 4.000 2.830 1.949 3.909 . 0 0 "[ . 1 . 2]" 1
53 1 14 LYS H 1 16 ILE H 5.500 . 5.500 5.511 5.253 5.593 0.093 6 0 "[ . 1 . 2]" 1
54 2 14 LYS H 2 16 ILE H 5.500 . 5.500 5.498 5.157 5.562 0.062 11 0 "[ . 1 . 2]" 1
55 1 35 LEU H 1 36 ILE H 4.160 . 4.160 2.609 2.504 2.705 . 0 0 "[ . 1 . 2]" 1
56 2 35 LEU H 2 36 ILE H 4.160 . 4.160 2.609 2.526 2.704 . 0 0 "[ . 1 . 2]" 1
57 1 16 ILE H 1 17 MET QG 4.870 . 4.870 4.201 3.768 4.405 . 0 0 "[ . 1 . 2]" 1
58 2 16 ILE H 2 17 MET QG 4.870 . 4.870 4.204 4.030 4.378 . 0 0 "[ . 1 . 2]" 1
59 1 35 LEU H 1 38 ASP HB2 5.500 . 5.500 4.958 4.687 5.514 0.014 14 0 "[ . 1 . 2]" 1
60 2 35 LEU H 2 38 ASP HB2 5.500 . 5.500 4.973 4.536 5.463 . 0 0 "[ . 1 . 2]" 1
61 1 16 ILE H 1 16 ILE HB 3.100 . 3.100 2.750 2.681 2.988 . 0 0 "[ . 1 . 2]" 1
62 2 16 ILE H 2 16 ILE HB 3.100 . 3.100 2.734 2.651 2.864 . 0 0 "[ . 1 . 2]" 1
63 1 16 ILE H 1 16 ILE HG12 4.610 . 4.610 4.459 4.401 4.518 . 0 0 "[ . 1 . 2]" 1
64 2 16 ILE H 2 16 ILE HG12 4.610 . 4.610 4.464 4.419 4.519 . 0 0 "[ . 1 . 2]" 1
65 1 17 MET H 1 17 MET QG 3.600 . 3.600 2.251 2.138 2.333 . 0 0 "[ . 1 . 2]" 1
66 2 17 MET H 2 17 MET QG 3.600 . 3.600 2.235 2.104 2.359 . 0 0 "[ . 1 . 2]" 1
67 1 17 MET H 1 17 MET QB 3.110 . 3.110 2.448 2.387 2.565 . 0 0 "[ . 1 . 2]" 1
68 2 17 MET H 2 17 MET QB 3.110 . 3.110 2.455 2.374 2.530 . 0 0 "[ . 1 . 2]" 1
69 1 16 ILE MG 1 17 MET H 3.550 . 3.550 2.088 2.043 2.222 . 0 0 "[ . 1 . 2]" 1
70 2 16 ILE MG 2 17 MET H 3.550 . 3.550 2.092 2.038 2.141 . 0 0 "[ . 1 . 2]" 1
71 1 16 ILE H 1 17 MET H 3.680 . 3.680 2.560 2.289 2.664 . 0 0 "[ . 1 . 2]" 1
72 2 16 ILE H 2 17 MET H 3.680 . 3.680 2.580 2.422 2.679 . 0 0 "[ . 1 . 2]" 1
73 1 49 LYS H 1 50 LEU H 3.890 . 3.890 2.313 1.888 3.275 . 0 0 "[ . 1 . 2]" 1
74 2 49 LYS H 2 50 LEU H 3.890 . 3.890 2.438 1.762 3.267 . 0 0 "[ . 1 . 2]" 1
75 1 27 GLU H 1 27 GLU QB 3.360 . 3.360 2.515 2.407 2.626 . 0 0 "[ . 1 . 2]" 1
76 2 27 GLU H 2 27 GLU QB 3.360 . 3.360 2.502 2.401 2.570 . 0 0 "[ . 1 . 2]" 1
77 1 25 ILE MG 1 27 GLU H 5.500 . 5.500 4.909 4.766 4.977 . 0 0 "[ . 1 . 2]" 1
78 2 25 ILE MG 2 27 GLU H 5.500 . 5.500 4.928 4.785 5.045 . 0 0 "[ . 1 . 2]" 1
79 1 18 GLU H 1 19 LYS H 3.620 . 3.620 2.486 2.404 2.560 . 0 0 "[ . 1 . 2]" 1
80 2 18 GLU H 2 19 LYS H 3.620 . 3.620 2.483 2.415 2.516 . 0 0 "[ . 1 . 2]" 1
81 1 19 LYS H 1 20 ARG QD 5.000 . 5.000 5.033 4.848 5.084 0.084 18 0 "[ . 1 . 2]" 1
82 2 19 LYS H 2 20 ARG QD 5.000 . 5.000 5.044 4.996 5.084 0.084 6 0 "[ . 1 . 2]" 1
83 1 17 MET QG 1 19 LYS H 5.500 . 5.500 5.518 5.489 5.536 0.036 14 0 "[ . 1 . 2]" 1
84 2 17 MET QG 2 19 LYS H 5.500 . 5.500 5.526 5.489 5.559 0.059 3 0 "[ . 1 . 2]" 1
85 1 18 GLU QG 1 19 LYS H 4.080 . 4.080 2.584 2.312 2.844 . 0 0 "[ . 1 . 2]" 1
86 2 18 GLU QG 2 19 LYS H 4.080 . 4.080 2.517 2.298 2.768 . 0 0 "[ . 1 . 2]" 1
87 1 19 LYS H 1 19 LYS QB 3.120 . 3.120 2.235 2.203 2.297 . 0 0 "[ . 1 . 2]" 1
88 2 19 LYS H 2 19 LYS QB 3.120 . 3.120 2.222 2.131 2.274 . 0 0 "[ . 1 . 2]" 1
89 1 25 ILE H 1 25 ILE HB 3.510 . 3.510 2.481 2.413 2.605 . 0 0 "[ . 1 . 2]" 1
90 2 25 ILE H 2 25 ILE HB 3.510 . 3.510 2.517 2.421 2.572 . 0 0 "[ . 1 . 2]" 1
91 1 19 LYS H 1 19 LYS HG3 4.870 . 4.870 4.312 2.454 4.650 . 0 0 "[ . 1 . 2]" 1
92 2 19 LYS H 2 19 LYS HG3 4.870 . 4.870 3.984 2.651 4.629 . 0 0 "[ . 1 . 2]" 1
93 1 23 ALA MB 1 25 ILE H 5.270 . 5.270 4.419 4.291 4.553 . 0 0 "[ . 1 . 2]" 1
94 2 23 ALA MB 2 25 ILE H 5.270 . 5.270 4.392 4.307 4.467 . 0 0 "[ . 1 . 2]" 1
95 1 18 GLU QG 1 20 ARG H 4.760 . 4.760 4.652 4.481 4.800 0.040 11 0 "[ . 1 . 2]" 1
96 2 18 GLU QG 2 20 ARG H 4.760 . 4.760 4.630 4.423 4.777 0.017 2 0 "[ . 1 . 2]" 1
97 1 19 LYS QB 1 20 ARG H 3.300 . 3.300 2.521 2.292 3.407 0.107 19 0 "[ . 1 . 2]" 1
98 2 19 LYS QB 2 20 ARG H 3.300 . 3.300 2.474 2.244 2.635 . 0 0 "[ . 1 . 2]" 1
99 1 20 ARG H 1 20 ARG QB 3.460 . 3.460 2.393 2.299 2.508 . 0 0 "[ . 1 . 2]" 1
100 2 20 ARG H 2 20 ARG QB 3.460 . 3.460 2.394 2.302 2.477 . 0 0 "[ . 1 . 2]" 1
101 1 18 GLU HA 1 21 ARG H 3.790 . 3.790 3.164 2.729 3.629 . 0 0 "[ . 1 . 2]" 1
102 2 18 GLU HA 2 21 ARG H 3.790 . 3.790 3.223 2.786 3.667 . 0 0 "[ . 1 . 2]" 1
103 1 25 ILE HA 1 27 GLU H 4.980 . 4.980 4.637 4.514 4.785 . 0 0 "[ . 1 . 2]" 1
104 2 25 ILE HA 2 27 GLU H 4.980 . 4.980 4.605 4.485 4.753 . 0 0 "[ . 1 . 2]" 1
105 1 20 ARG QD 1 21 ARG H 4.740 . 4.740 4.487 4.306 4.745 0.005 5 0 "[ . 1 . 2]" 1
106 2 20 ARG QD 2 21 ARG H 4.740 . 4.740 4.473 4.324 4.676 . 0 0 "[ . 1 . 2]" 1
107 1 21 ARG H 1 21 ARG QD 5.190 . 5.190 4.638 4.514 4.781 . 0 0 "[ . 1 . 2]" 1
108 2 21 ARG H 2 21 ARG QD 5.190 . 5.190 4.620 4.214 4.804 . 0 0 "[ . 1 . 2]" 1
109 1 20 ARG QB 1 21 ARG H 3.360 . 3.360 2.387 2.251 2.646 . 0 0 "[ . 1 . 2]" 1
110 2 20 ARG QB 2 21 ARG H 3.360 . 3.360 2.377 2.184 2.509 . 0 0 "[ . 1 . 2]" 1
111 1 21 ARG H 1 21 ARG QB 3.560 . 3.560 2.238 2.179 2.275 . 0 0 "[ . 1 . 2]" 1
112 2 21 ARG H 2 21 ARG QB 3.560 . 3.560 2.249 2.180 2.300 . 0 0 "[ . 1 . 2]" 1
113 1 20 ARG HG3 1 21 ARG H 4.400 . 4.400 4.242 4.006 4.416 0.016 5 0 "[ . 1 . 2]" 1
114 2 20 ARG HG3 2 21 ARG H 4.400 . 4.400 4.257 4.125 4.405 0.005 14 0 "[ . 1 . 2]" 1
115 1 26 ASN HD22 1 27 GLU H 5.500 . 5.500 5.568 5.513 5.604 0.104 2 0 "[ . 1 . 2]" 1
116 2 26 ASN HD22 2 27 GLU H 5.500 . 5.500 5.544 5.468 5.595 0.095 9 0 "[ . 1 . 2]" 1
117 1 18 GLU QG 1 22 ARG H 5.490 . 5.490 4.902 4.627 5.155 . 0 0 "[ . 1 . 2]" 1
118 2 18 GLU QG 2 22 ARG H 5.490 . 5.490 4.956 4.735 5.308 . 0 0 "[ . 1 . 2]" 1
119 1 21 ARG QB 1 22 ARG H 3.140 . 3.140 2.334 2.181 2.561 . 0 0 "[ . 1 . 2]" 1
120 2 21 ARG QB 2 22 ARG H 3.140 . 3.140 2.267 2.111 2.453 . 0 0 "[ . 1 . 2]" 1
121 1 21 ARG QD 1 22 ARG H 4.490 . 4.490 4.282 3.835 4.594 0.104 13 0 "[ . 1 . 2]" 1
122 2 21 ARG QD 2 22 ARG H 4.490 . 4.490 4.092 3.754 4.577 0.087 2 0 "[ . 1 . 2]" 1
123 1 22 ARG H 1 22 ARG QD 5.050 . 5.050 4.394 4.141 4.617 . 0 0 "[ . 1 . 2]" 1
124 2 22 ARG H 2 22 ARG QD 5.050 . 5.050 4.308 3.961 4.655 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG H 1 23 ALA H 3.560 . 3.560 2.821 2.676 2.972 . 0 0 "[ . 1 . 2]" 1
126 2 22 ARG H 2 23 ALA H 3.560 . 3.560 2.853 2.715 2.960 . 0 0 "[ . 1 . 2]" 1
127 1 23 ALA H 1 26 ASN HD22 5.320 . 5.320 5.319 5.046 5.364 0.044 3 0 "[ . 1 . 2]" 1
128 2 23 ALA H 2 26 ASN HD22 5.320 . 5.320 5.322 5.072 5.394 0.074 6 0 "[ . 1 . 2]" 1
129 1 23 ALA H 1 27 GLU QG 5.500 . 5.500 5.559 5.442 5.623 0.123 15 0 "[ . 1 . 2]" 1
130 2 23 ALA H 2 27 GLU QG 5.500 . 5.500 5.539 5.425 5.605 0.105 7 0 "[ . 1 . 2]" 1
131 1 23 ALA H 1 23 ALA MB 3.040 . 3.040 2.213 2.192 2.238 . 0 0 "[ . 1 . 2]" 1
132 2 23 ALA H 2 23 ALA MB 3.040 . 3.040 2.212 2.183 2.231 . 0 0 "[ . 1 . 2]" 1
133 1 24 ARG H 1 25 ILE MD 5.110 . 5.110 5.126 5.000 5.157 0.047 17 0 "[ . 1 . 2]" 1
134 2 24 ARG H 2 25 ILE MD 5.110 . 5.110 5.136 5.108 5.167 0.057 20 0 "[ . 1 . 2]" 1
135 1 24 ARG H 1 25 ILE HA 5.500 . 5.500 5.288 5.210 5.363 . 0 0 "[ . 1 . 2]" 1
136 2 24 ARG H 2 25 ILE HA 5.500 . 5.500 5.272 5.177 5.352 . 0 0 "[ . 1 . 2]" 1
137 1 31 GLN H 1 34 THR H 5.290 . 5.290 4.768 4.573 4.886 . 0 0 "[ . 1 . 2]" 1
138 2 31 GLN H 2 34 THR H 5.290 . 5.290 4.760 4.584 4.892 . 0 0 "[ . 1 . 2]" 1
139 1 31 GLN H 1 31 GLN HG2 3.880 . 3.880 2.164 1.960 2.355 . 0 0 "[ . 1 . 2]" 1
140 2 31 GLN H 2 31 GLN HG2 3.880 . 3.880 2.150 2.029 2.353 . 0 0 "[ . 1 . 2]" 1
141 1 31 GLN QB 1 32 LEU H 4.420 . 4.420 3.548 3.496 3.641 . 0 0 "[ . 1 . 2]" 1
142 2 31 GLN QB 2 32 LEU H 4.420 . 4.420 3.541 3.475 3.618 . 0 0 "[ . 1 . 2]" 1
143 1 32 LEU H 1 32 LEU QB 3.490 . 3.490 2.110 2.006 2.166 . 0 0 "[ . 1 . 2]" 1
144 2 32 LEU H 2 32 LEU QB 3.490 . 3.490 2.118 2.033 2.176 . 0 0 "[ . 1 . 2]" 1
145 1 31 GLN HG2 1 32 LEU H 4.760 . 4.760 2.696 2.550 2.878 . 0 0 "[ . 1 . 2]" 1
146 2 31 GLN HG2 2 32 LEU H 4.760 . 4.760 2.681 2.482 2.954 . 0 0 "[ . 1 . 2]" 1
147 1 32 LEU H 1 33 LYS H 4.110 . 4.110 2.892 2.770 2.963 . 0 0 "[ . 1 . 2]" 1
148 2 32 LEU H 2 33 LYS H 4.110 . 4.110 2.864 2.774 2.963 . 0 0 "[ . 1 . 2]" 1
149 1 36 ILE H 1 37 LEU H 3.750 . 3.750 2.708 2.595 2.824 . 0 0 "[ . 1 . 2]" 1
150 2 36 ILE H 2 37 LEU H 3.750 . 3.750 2.730 2.644 2.831 . 0 0 "[ . 1 . 2]" 1
151 1 29 LEU HA 1 33 LYS H 4.630 . 4.630 4.017 3.681 4.275 . 0 0 "[ . 1 . 2]" 1
152 2 29 LEU HA 2 33 LYS H 4.630 . 4.630 3.974 3.716 4.165 . 0 0 "[ . 1 . 2]" 1
153 1 33 LYS H 1 55 ILE MG 3.520 . 3.520 3.301 3.143 3.540 0.020 18 0 "[ . 1 . 2]" 1
154 2 33 LYS H 2 55 ILE MG 3.520 . 3.520 3.254 3.022 3.529 0.009 6 0 "[ . 1 . 2]" 1
155 1 33 LYS QE 1 34 THR H 5.150 . 5.150 3.929 2.990 4.212 . 0 0 "[ . 1 . 2]" 1
156 2 33 LYS QE 2 34 THR H 5.150 . 5.150 3.816 3.172 4.310 . 0 0 "[ . 1 . 2]" 1
157 1 34 THR H 1 34 THR HB 3.460 . 3.460 2.541 2.441 2.621 . 0 0 "[ . 1 . 2]" 1
158 2 34 THR H 2 34 THR HB 3.460 . 3.460 2.524 2.420 2.631 . 0 0 "[ . 1 . 2]" 1
159 1 34 THR H 1 35 LEU H 3.850 . 3.850 2.776 2.658 2.927 . 0 0 "[ . 1 . 2]" 1
160 2 34 THR H 2 35 LEU H 3.850 . 3.850 2.776 2.633 2.950 . 0 0 "[ . 1 . 2]" 1
161 1 32 LEU H 1 34 THR H 4.950 . 4.950 3.912 3.819 4.009 . 0 0 "[ . 1 . 2]" 1
162 2 32 LEU H 2 34 THR H 4.950 . 4.950 3.921 3.850 3.988 . 0 0 "[ . 1 . 2]" 1
163 1 34 THR H 1 36 ILE H 5.390 . 5.390 4.049 3.866 4.252 . 0 0 "[ . 1 . 2]" 1
164 2 34 THR H 2 36 ILE H 5.390 . 5.390 4.026 3.920 4.187 . 0 0 "[ . 1 . 2]" 1
165 1 36 ILE H 1 36 ILE HB 3.530 . 3.530 2.400 2.221 2.519 . 0 0 "[ . 1 . 2]" 1
166 2 36 ILE H 2 36 ILE HB 3.530 . 3.530 2.414 2.327 2.566 . 0 0 "[ . 1 . 2]" 1
167 1 36 ILE H 1 36 ILE HG12 4.080 . 4.080 2.376 2.234 2.516 . 0 0 "[ . 1 . 2]" 1
168 2 36 ILE H 2 36 ILE HG12 4.080 . 4.080 2.377 2.113 2.537 . 0 0 "[ . 1 . 2]" 1
169 1 60 VAL MG2 2 32 LEU H 3.590 . 3.590 3.119 2.874 3.333 . 0 0 "[ . 1 . 2]" 1
170 1 32 LEU H 2 60 VAL MG2 3.590 . 3.590 3.150 3.032 3.337 . 0 0 "[ . 1 . 2]" 1
171 1 46 ARG H 1 47 HIS HA 5.210 . 5.210 5.071 4.917 5.211 0.001 13 0 "[ . 1 . 2]" 1
172 2 46 ARG H 2 47 HIS HA 5.210 . 5.210 5.069 4.862 5.224 0.014 13 0 "[ . 1 . 2]" 1
173 2 45 SER QB 2 46 ARG H 3.720 . 3.720 2.477 2.220 2.809 . 0 0 "[ . 1 . 2]" 1
174 1 39 ALA H 1 40 LEU QB 4.990 . 4.990 4.638 4.231 4.992 0.002 14 0 "[ . 1 . 2]" 1
175 2 39 ALA H 2 40 LEU QB 4.990 . 4.990 4.613 4.175 4.884 . 0 0 "[ . 1 . 2]" 1
176 1 39 ALA H 1 39 ALA MB 3.040 . 3.040 2.250 2.197 2.308 . 0 0 "[ . 1 . 2]" 1
177 2 39 ALA H 2 39 ALA MB 3.040 . 3.040 2.263 2.220 2.315 . 0 0 "[ . 1 . 2]" 1
178 1 38 ASP HB3 1 39 ALA H 3.830 . 3.830 2.796 2.216 3.839 0.009 3 0 "[ . 1 . 2]" 1
179 2 38 ASP HB3 2 39 ALA H 3.830 . 3.830 2.880 2.393 3.844 0.014 13 0 "[ . 1 . 2]" 1
180 1 38 ASP HB2 1 39 ALA H 3.750 . 3.750 3.606 3.044 3.833 0.083 6 0 "[ . 1 . 2]" 1
181 2 38 ASP HB2 2 39 ALA H 3.750 . 3.750 3.577 3.043 3.818 0.068 17 0 "[ . 1 . 2]" 1
182 1 36 ILE H 1 39 ALA H 5.180 . 5.180 4.681 4.551 4.859 . 0 0 "[ . 1 . 2]" 1
183 2 36 ILE H 2 39 ALA H 5.180 . 5.180 4.674 4.561 4.861 . 0 0 "[ . 1 . 2]" 1
184 1 39 ALA H 1 40 LEU H 3.590 . 3.590 2.371 2.163 2.773 . 0 0 "[ . 1 . 2]" 1
185 2 39 ALA H 2 40 LEU H 3.590 . 3.590 2.348 2.168 2.471 . 0 0 "[ . 1 . 2]" 1
186 1 38 ASP HA 1 40 LEU H 4.810 . 4.810 4.324 3.808 4.724 . 0 0 "[ . 1 . 2]" 1
187 2 38 ASP HA 2 40 LEU H 4.810 . 4.810 4.330 3.953 4.726 . 0 0 "[ . 1 . 2]" 1
188 1 40 LEU H 1 42 LYS H 4.780 . 4.780 4.493 3.838 4.820 0.040 2 0 "[ . 1 . 2]" 1
189 2 40 LEU H 2 42 LYS H 4.780 . 4.780 4.635 4.333 4.821 0.041 5 0 "[ . 1 . 2]" 1
190 1 38 ASP HB3 1 40 LEU H 5.500 . 5.500 4.871 4.527 5.541 0.041 3 0 "[ . 1 . 2]" 1
191 2 38 ASP HB3 2 40 LEU H 5.500 . 5.500 4.920 4.592 5.529 0.029 6 0 "[ . 1 . 2]" 1
192 1 38 ASP HB2 1 40 LEU H 5.500 . 5.500 5.519 4.855 5.669 0.169 13 0 "[ . 1 . 2]" 1
193 2 38 ASP HB2 2 40 LEU H 5.500 . 5.500 5.496 4.994 5.629 0.129 2 0 "[ . 1 . 2]" 1
194 1 40 LEU H 1 40 LEU QB 3.210 . 3.210 2.578 2.421 2.803 . 0 0 "[ . 1 . 2]" 1
195 2 40 LEU H 2 40 LEU QB 3.210 . 3.210 2.573 2.367 2.752 . 0 0 "[ . 1 . 2]" 1
196 1 39 ALA MB 1 40 LEU H 3.460 . 3.460 2.659 2.433 2.972 . 0 0 "[ . 1 . 2]" 1
197 2 39 ALA MB 2 40 LEU H 3.460 . 3.460 2.690 2.516 2.917 . 0 0 "[ . 1 . 2]" 1
198 1 41 LYS H 1 41 LYS QB 3.400 . 3.400 3.232 3.148 3.321 . 0 0 "[ . 1 . 2]" 1
199 2 41 LYS H 2 41 LYS QB 3.400 . 3.400 3.225 3.121 3.348 . 0 0 "[ . 1 . 2]" 1
200 1 40 LEU QB 1 41 LYS H 3.470 . 3.470 2.864 2.581 3.260 . 0 0 "[ . 1 . 2]" 1
201 2 40 LEU QB 2 41 LYS H 3.470 . 3.470 2.815 2.506 3.152 . 0 0 "[ . 1 . 2]" 1
202 1 41 LYS H 1 41 LYS QG 3.280 . 3.280 2.513 2.288 2.706 . 0 0 "[ . 1 . 2]" 1
203 2 41 LYS H 2 41 LYS QG 3.280 . 3.280 2.562 2.421 2.768 . 0 0 "[ . 1 . 2]" 1
204 1 67 GLN H 1 67 GLN HG2 3.650 . 3.650 2.830 2.619 3.081 . 0 0 "[ . 1 . 2]" 1
205 2 67 GLN H 2 67 GLN HG2 3.650 . 3.650 2.853 2.651 3.093 . 0 0 "[ . 1 . 2]" 1
206 1 66 LEU HB3 1 67 GLN H 4.140 . 4.140 3.681 3.460 4.003 . 0 0 "[ . 1 . 2]" 1
207 2 66 LEU HB3 2 67 GLN H 4.140 . 4.140 3.734 3.510 4.018 . 0 0 "[ . 1 . 2]" 1
208 1 66 LEU MD1 2 67 GLN H 4.100 . 4.100 3.397 3.161 3.766 . 0 0 "[ . 1 . 2]" 1
209 1 67 GLN H 2 66 LEU MD1 4.100 . 4.100 3.269 2.893 3.518 . 0 0 "[ . 1 . 2]" 1
210 1 65 ASN HA 1 67 GLN H 4.290 . 4.290 4.329 4.093 4.404 0.114 13 0 "[ . 1 . 2]" 1
211 2 65 ASN HA 2 67 GLN H 4.290 . 4.290 4.303 4.016 4.405 0.115 9 0 "[ . 1 . 2]" 1
212 1 40 LEU QB 1 42 LYS H 3.570 . 3.570 3.331 2.663 3.663 0.093 14 0 "[ . 1 . 2]" 1
213 2 40 LEU QB 2 42 LYS H 3.570 . 3.570 3.412 2.787 3.683 0.113 20 0 "[ . 1 . 2]" 1
214 1 42 LYS H 1 42 LYS QB 3.700 . 3.700 2.468 2.294 2.569 . 0 0 "[ . 1 . 2]" 1
215 2 42 LYS H 2 42 LYS QB 3.700 . 3.700 2.429 2.267 2.592 . 0 0 "[ . 1 . 2]" 1
216 1 42 LYS H 1 42 LYS QG 3.290 . 3.290 2.278 1.858 3.036 . 0 0 "[ . 1 . 2]" 1
217 2 42 LYS H 2 42 LYS QG 3.290 . 3.290 2.390 2.086 2.561 . 0 0 "[ . 1 . 2]" 1
218 1 41 LYS QE 1 42 LYS H 5.500 . 5.500 5.280 3.711 5.649 0.149 7 0 "[ . 1 . 2]" 1
219 2 41 LYS QE 2 42 LYS H 5.500 . 5.500 5.091 3.749 5.571 0.071 19 0 "[ . 1 . 2]" 1
220 1 42 LYS H 1 43 ASP QB 5.450 . 5.450 5.246 4.970 5.427 . 0 0 "[ . 1 . 2]" 1
221 2 42 LYS H 2 43 ASP QB 5.450 . 5.450 5.156 4.989 5.408 . 0 0 "[ . 1 . 2]" 1
222 1 41 LYS HA 1 42 LYS H 3.340 . 3.340 2.347 1.876 2.730 . 0 0 "[ . 1 . 2]" 1
223 2 41 LYS HA 2 42 LYS H 3.340 . 3.340 2.276 2.084 2.701 . 0 0 "[ . 1 . 2]" 1
224 1 41 LYS H 1 42 LYS H 3.520 . 3.520 2.797 2.524 3.044 . 0 0 "[ . 1 . 2]" 1
225 2 41 LYS H 2 42 LYS H 3.520 . 3.520 2.886 2.725 2.992 . 0 0 "[ . 1 . 2]" 1
226 1 43 ASP H 1 47 HIS H 4.910 . 4.910 4.732 4.359 4.950 0.040 1 0 "[ . 1 . 2]" 1
227 2 43 ASP H 2 47 HIS H 4.910 . 4.910 4.720 4.340 4.945 0.035 9 0 "[ . 1 . 2]" 1
228 1 43 ASP H 1 43 ASP QB 3.220 . 3.220 2.870 2.759 3.058 . 0 0 "[ . 1 . 2]" 1
229 2 43 ASP H 2 43 ASP QB 3.220 . 3.220 2.870 2.661 3.031 . 0 0 "[ . 1 . 2]" 1
230 1 42 LYS QB 1 43 ASP H 3.460 . 3.460 1.987 1.855 2.147 . 0 0 "[ . 1 . 2]" 1
231 2 42 LYS QB 2 43 ASP H 3.460 . 3.460 2.029 1.869 2.289 . 0 0 "[ . 1 . 2]" 1
232 1 42 LYS QG 1 43 ASP H 4.030 . 4.030 3.870 3.546 4.085 0.055 13 0 "[ . 1 . 2]" 1
233 2 42 LYS QG 2 43 ASP H 4.030 . 4.030 3.919 3.793 4.040 0.010 15 0 "[ . 1 . 2]" 1
234 1 43 ASP HA 1 44 SER H 3.410 . 3.410 2.182 2.024 2.368 . 0 0 "[ . 1 . 2]" 1
235 2 43 ASP HA 2 44 SER H 3.410 . 3.410 2.187 2.098 2.319 . 0 0 "[ . 1 . 2]" 1
236 1 43 ASP QB 1 45 SER H 4.780 . 4.780 3.054 2.247 3.670 . 0 0 "[ . 1 . 2]" 1
237 2 43 ASP QB 2 45 SER H 4.780 . 4.780 3.067 2.435 3.701 . 0 0 "[ . 1 . 2]" 1
238 1 45 SER H 1 46 ARG QG 4.660 . 4.660 4.071 3.720 4.517 . 0 0 "[ . 1 . 2]" 1
239 2 45 SER H 2 46 ARG QG 4.660 . 4.660 4.022 3.703 4.410 . 0 0 "[ . 1 . 2]" 1
240 1 58 MET H 1 59 THR H 4.010 . 4.010 2.499 2.392 2.895 . 0 0 "[ . 1 . 2]" 1
241 2 58 MET H 2 59 THR H 4.010 . 4.010 2.513 2.396 2.832 . 0 0 "[ . 1 . 2]" 1
242 1 61 LYS H 1 62 HIS H 4.000 . 4.000 2.651 2.491 2.750 . 0 0 "[ . 1 . 2]" 1
243 2 61 LYS H 2 62 HIS H 4.000 . 4.000 2.668 2.604 2.813 . 0 0 "[ . 1 . 2]" 1
244 1 46 ARG QD 1 47 HIS H 3.540 . 3.540 3.531 3.032 3.697 0.157 10 0 "[ . 1 . 2]" 1
245 2 46 ARG QD 2 47 HIS H 3.540 . 3.540 3.524 3.195 3.718 0.178 19 0 "[ . 1 . 2]" 1
246 1 65 ASN H 1 65 ASN HB3 3.590 . 3.590 3.630 3.616 3.648 0.058 2 0 "[ . 1 . 2]" 1
247 2 65 ASN H 2 65 ASN HB3 3.590 . 3.590 3.624 3.609 3.642 0.052 8 0 "[ . 1 . 2]" 1
248 1 65 ASN H 1 65 ASN HB2 3.440 . 3.440 2.540 2.474 2.612 . 0 0 "[ . 1 . 2]" 1
249 2 65 ASN H 2 65 ASN HB2 3.440 . 3.440 2.555 2.488 2.631 . 0 0 "[ . 1 . 2]" 1
250 1 60 VAL HB 1 62 HIS H 4.990 . 4.990 4.840 4.610 4.992 0.002 15 0 "[ . 1 . 2]" 1
251 2 60 VAL HB 2 62 HIS H 4.990 . 4.990 4.893 4.697 4.998 0.008 11 0 "[ . 1 . 2]" 1
252 1 61 LYS QB 1 62 HIS H 3.500 . 3.500 2.708 2.483 3.032 . 0 0 "[ . 1 . 2]" 1
253 2 61 LYS QB 2 62 HIS H 3.500 . 3.500 2.712 2.502 2.894 . 0 0 "[ . 1 . 2]" 1
254 1 48 SER H 1 48 SER QB 3.850 . 3.850 2.580 2.255 3.433 . 0 0 "[ . 1 . 2]" 1
255 2 48 SER H 2 48 SER QB 3.850 . 3.850 2.497 2.276 3.447 . 0 0 "[ . 1 . 2]" 1
256 1 47 HIS HB3 1 48 SER H 4.830 . 4.830 2.997 2.542 4.329 . 0 0 "[ . 1 . 2]" 1
257 2 47 HIS HB3 2 48 SER H 4.830 . 4.830 2.919 2.475 4.142 . 0 0 "[ . 1 . 2]" 1
258 1 47 HIS HB2 1 48 SER H 4.830 . 4.830 3.982 3.770 4.263 . 0 0 "[ . 1 . 2]" 1
259 2 47 HIS HB2 2 48 SER H 4.830 . 4.830 4.006 3.758 4.290 . 0 0 "[ . 1 . 2]" 1
260 1 49 LYS HA 1 50 LEU H 3.080 . 3.080 2.823 2.234 3.245 0.165 19 0 "[ . 1 . 2]" 1
261 2 49 LYS HA 2 50 LEU H 3.080 . 3.080 2.745 2.139 3.307 0.227 13 0 "[ . 1 . 2]" 1
262 1 48 SER QB 1 50 LEU H 5.500 . 5.500 4.854 4.272 5.544 0.044 1 0 "[ . 1 . 2]" 1
263 2 48 SER QB 2 50 LEU H 5.500 . 5.500 4.954 4.287 5.519 0.019 15 0 "[ . 1 . 2]" 1
264 1 50 LEU H 1 50 LEU HB3 3.480 . 3.480 3.231 2.400 3.527 0.047 5 0 "[ . 1 . 2]" 1
265 2 50 LEU H 2 50 LEU HB3 3.480 . 3.480 3.334 2.616 3.604 0.124 13 0 "[ . 1 . 2]" 1
266 1 51 GLU H 1 54 ASP HB3 4.310 . 4.310 2.931 1.826 3.988 . 0 0 "[ . 1 . 2]" 1
267 2 51 GLU H 2 54 ASP HB3 4.310 . 4.310 3.158 2.173 3.831 . 0 0 "[ . 1 . 2]" 1
268 1 51 GLU H 1 54 ASP HB2 4.310 . 4.310 2.774 2.353 3.153 . 0 0 "[ . 1 . 2]" 1
269 2 51 GLU H 2 54 ASP HB2 4.310 . 4.310 2.493 2.007 3.381 . 0 0 "[ . 1 . 2]" 1
270 1 51 GLU H 1 51 GLU HG2 3.990 . 3.990 2.632 1.954 3.651 . 0 0 "[ . 1 . 2]" 1
271 2 51 GLU H 2 51 GLU HG2 3.990 . 3.990 2.933 2.134 3.770 . 0 0 "[ . 1 . 2]" 1
272 1 51 GLU H 1 51 GLU HB2 3.870 . 3.870 2.425 2.210 2.573 . 0 0 "[ . 1 . 2]" 1
273 2 51 GLU H 2 51 GLU HB2 3.870 . 3.870 2.421 2.180 2.603 . 0 0 "[ . 1 . 2]" 1
274 1 50 LEU HB3 1 51 GLU H 4.120 . 4.120 3.710 3.227 4.190 0.070 14 0 "[ . 1 . 2]" 1
275 2 50 LEU HB3 2 51 GLU H 4.120 . 4.120 3.602 3.318 4.148 0.028 14 0 "[ . 1 . 2]" 1
276 1 50 LEU HG 1 51 GLU H 4.690 . 4.690 4.213 2.962 4.757 0.067 11 0 "[ . 1 . 2]" 1
277 2 50 LEU HG 2 51 GLU H 4.690 . 4.690 4.373 2.915 4.832 0.142 20 0 "[ . 1 . 2]" 1
278 1 50 LEU HB2 1 51 GLU H 4.650 . 4.650 4.393 4.244 4.541 . 0 0 "[ . 1 . 2]" 1
279 2 50 LEU HB2 2 51 GLU H 4.650 . 4.650 4.349 4.238 4.495 . 0 0 "[ . 1 . 2]" 1
280 1 50 LEU HA 1 51 GLU H 3.420 . 3.420 2.007 1.905 2.092 . 0 0 "[ . 1 . 2]" 1
281 2 50 LEU HA 2 51 GLU H 3.420 . 3.420 1.992 1.878 2.119 . 0 0 "[ . 1 . 2]" 1
282 1 51 GLU H 1 54 ASP H 4.730 . 4.730 3.873 3.494 4.142 . 0 0 "[ . 1 . 2]" 1
283 2 51 GLU H 2 54 ASP H 4.730 . 4.730 3.707 3.482 3.966 . 0 0 "[ . 1 . 2]" 1
284 1 52 LYS H 1 53 ALA H 4.320 . 4.320 2.875 2.624 3.018 . 0 0 "[ . 1 . 2]" 1
285 2 52 LYS H 2 53 ALA H 4.320 . 4.320 2.814 2.676 2.969 . 0 0 "[ . 1 . 2]" 1
286 1 52 LYS H 1 52 LYS QE 4.890 . 4.890 4.260 3.890 4.942 0.052 15 0 "[ . 1 . 2]" 1
287 2 52 LYS H 2 52 LYS QE 4.890 . 4.890 4.170 3.794 4.933 0.043 18 0 "[ . 1 . 2]" 1
288 1 51 GLU HB3 1 52 LYS H 3.680 . 3.680 2.727 2.411 3.104 . 0 0 "[ . 1 . 2]" 1
289 2 51 GLU HB3 2 52 LYS H 3.680 . 3.680 2.665 2.287 2.994 . 0 0 "[ . 1 . 2]" 1
290 1 21 ARG HG3 2 52 LYS H 5.120 . 5.120 4.635 3.873 5.160 0.040 13 0 "[ . 1 . 2]" 1
291 1 52 LYS H 2 21 ARG HG3 5.120 . 5.120 4.497 3.624 5.004 . 0 0 "[ . 1 . 2]" 1
292 1 52 LYS H 1 52 LYS QD 5.470 . 5.470 4.686 4.565 4.908 . 0 0 "[ . 1 . 2]" 1
293 2 52 LYS H 2 52 LYS QD 5.470 . 5.470 4.725 4.664 4.829 . 0 0 "[ . 1 . 2]" 1
294 1 52 LYS H 1 52 LYS HG3 4.480 . 4.480 4.426 4.364 4.483 0.003 16 0 "[ . 1 . 2]" 1
295 2 52 LYS H 2 52 LYS HG3 4.480 . 4.480 4.430 4.309 4.495 0.015 7 0 "[ . 1 . 2]" 1
296 1 25 ILE MD 2 52 LYS H 4.190 . 4.190 3.988 3.574 4.197 0.007 19 0 "[ . 1 . 2]" 1
297 1 52 LYS H 2 25 ILE MD 4.190 . 4.190 4.062 3.753 4.213 0.023 15 0 "[ . 1 . 2]" 1
298 1 51 GLU HB3 1 53 ALA H 4.150 . 4.150 3.198 2.877 3.574 . 0 0 "[ . 1 . 2]" 1
299 2 51 GLU HB3 2 53 ALA H 4.150 . 4.150 3.128 2.800 3.448 . 0 0 "[ . 1 . 2]" 1
300 1 52 LYS HG2 1 53 ALA H 4.360 . 4.360 3.424 3.222 3.640 . 0 0 "[ . 1 . 2]" 1
301 2 52 LYS HG2 2 53 ALA H 4.360 . 4.360 3.423 3.223 3.664 . 0 0 "[ . 1 . 2]" 1
302 1 53 ALA H 1 53 ALA MB 3.430 . 3.430 2.211 2.177 2.261 . 0 0 "[ . 1 . 2]" 1
303 2 53 ALA H 2 53 ALA MB 3.430 . 3.430 2.225 2.186 2.261 . 0 0 "[ . 1 . 2]" 1
304 1 25 ILE MD 2 53 ALA H 3.810 . 3.810 3.325 3.146 3.510 . 0 0 "[ . 1 . 2]" 1
305 1 53 ALA H 2 25 ILE MD 3.810 . 3.810 3.324 3.115 3.531 . 0 0 "[ . 1 . 2]" 1
306 1 53 ALA H 1 54 ASP H 3.890 . 3.890 2.626 2.543 2.719 . 0 0 "[ . 1 . 2]" 1
307 2 53 ALA H 2 54 ASP H 3.890 . 3.890 2.643 2.566 2.711 . 0 0 "[ . 1 . 2]" 1
308 1 54 ASP H 1 56 LEU H 4.480 . 4.480 3.898 3.788 4.015 . 0 0 "[ . 1 . 2]" 1
309 2 54 ASP H 2 56 LEU H 4.480 . 4.480 3.880 3.739 4.015 . 0 0 "[ . 1 . 2]" 1
310 1 54 ASP H 1 55 ILE H 3.790 . 3.790 2.225 2.157 2.341 . 0 0 "[ . 1 . 2]" 1
311 2 54 ASP H 2 55 ILE H 3.790 . 3.790 2.260 2.177 2.362 . 0 0 "[ . 1 . 2]" 1
312 1 54 ASP H 1 55 ILE HA 5.440 . 5.440 4.933 4.881 5.010 . 0 0 "[ . 1 . 2]" 1
313 2 54 ASP H 2 55 ILE HA 5.440 . 5.440 4.952 4.901 5.011 . 0 0 "[ . 1 . 2]" 1
314 1 54 ASP H 1 54 ASP HB3 3.920 . 3.920 2.949 2.572 3.636 . 0 0 "[ . 1 . 2]" 1
315 2 54 ASP H 2 54 ASP HB3 3.920 . 3.920 3.245 2.568 3.682 . 0 0 "[ . 1 . 2]" 1
316 1 54 ASP H 1 54 ASP HB2 3.920 . 3.920 2.415 2.295 2.564 . 0 0 "[ . 1 . 2]" 1
317 2 54 ASP H 2 54 ASP HB2 3.920 . 3.920 2.430 2.282 2.680 . 0 0 "[ . 1 . 2]" 1
318 1 51 GLU HB3 1 54 ASP H 4.020 . 4.020 3.730 3.306 4.042 0.022 4 0 "[ . 1 . 2]" 1
319 2 51 GLU HB3 2 54 ASP H 4.020 . 4.020 3.719 3.179 4.073 0.053 4 0 "[ . 1 . 2]" 1
320 1 51 GLU HB2 1 54 ASP H 3.940 . 3.940 2.865 2.241 3.553 . 0 0 "[ . 1 . 2]" 1
321 2 51 GLU HB2 2 54 ASP H 3.940 . 3.940 2.795 2.302 3.150 . 0 0 "[ . 1 . 2]" 1
322 1 21 ARG HG3 2 54 ASP H 5.500 . 5.500 5.155 4.646 5.539 0.039 20 0 "[ . 1 . 2]" 1
323 1 54 ASP H 2 21 ARG HG3 5.500 . 5.500 5.130 4.447 5.546 0.046 13 0 "[ . 1 . 2]" 1
324 1 53 ALA MB 1 54 ASP H 3.710 . 3.710 2.728 2.562 2.908 . 0 0 "[ . 1 . 2]" 1
325 2 53 ALA MB 2 54 ASP H 3.710 . 3.710 2.760 2.565 2.889 . 0 0 "[ . 1 . 2]" 1
326 1 65 ASN H 1 65 ASN HD22 4.910 . 4.910 4.263 4.109 4.369 . 0 0 "[ . 1 . 2]" 1
327 2 65 ASN H 2 65 ASN HD22 4.910 . 4.910 4.184 4.022 4.307 . 0 0 "[ . 1 . 2]" 1
328 1 66 LEU H 1 67 GLN H 3.650 . 3.650 2.598 2.460 2.701 . 0 0 "[ . 1 . 2]" 1
329 2 66 LEU H 2 67 GLN H 3.650 . 3.650 2.596 2.482 2.692 . 0 0 "[ . 1 . 2]" 1
330 1 65 ASN HA 1 68 ARG H 3.890 . 3.890 3.641 3.454 3.819 . 0 0 "[ . 1 . 2]" 1
331 2 65 ASN HA 2 68 ARG H 3.890 . 3.890 3.670 3.550 3.789 . 0 0 "[ . 1 . 2]" 1
332 1 65 ASN HB3 1 66 LEU H 3.980 . 3.980 3.417 3.286 3.543 . 0 0 "[ . 1 . 2]" 1
333 2 65 ASN HB3 2 66 LEU H 3.980 . 3.980 3.421 3.266 3.554 . 0 0 "[ . 1 . 2]" 1
334 1 65 ASN HB2 1 66 LEU H 3.920 . 3.920 2.397 2.232 2.528 . 0 0 "[ . 1 . 2]" 1
335 2 65 ASN HB2 2 66 LEU H 3.920 . 3.920 2.356 2.123 2.477 . 0 0 "[ . 1 . 2]" 1
336 1 66 LEU H 1 66 LEU HG 3.270 . 3.270 2.424 2.132 2.646 . 0 0 "[ . 1 . 2]" 1
337 2 66 LEU H 2 66 LEU HG 3.270 . 3.270 2.379 2.197 2.678 . 0 0 "[ . 1 . 2]" 1
338 1 66 LEU H 1 66 LEU MD1 3.520 . 3.520 3.528 3.424 3.579 0.059 10 0 "[ . 1 . 2]" 1
339 2 66 LEU H 2 66 LEU MD1 3.520 . 3.520 3.541 3.492 3.583 0.063 10 0 "[ . 1 . 2]" 1
340 1 65 ASN HB3 1 67 GLN H 5.500 . 5.500 5.396 5.169 5.506 0.006 18 0 "[ . 1 . 2]" 1
341 2 65 ASN HB3 2 67 GLN H 5.500 . 5.500 5.378 5.142 5.494 . 0 0 "[ . 1 . 2]" 1
342 1 65 ASN HB2 1 68 ARG H 5.500 . 5.500 5.517 5.379 5.582 0.082 11 0 "[ . 1 . 2]" 1
343 2 65 ASN HB2 2 68 ARG H 5.500 . 5.500 5.501 5.393 5.579 0.079 17 0 "[ . 1 . 2]" 1
344 1 67 GLN HG2 1 68 ARG H 4.970 . 4.970 4.811 4.673 4.979 0.009 11 0 "[ . 1 . 2]" 1
345 2 67 GLN HG2 2 68 ARG H 4.970 . 4.970 4.838 4.671 5.006 0.036 8 0 "[ . 1 . 2]" 1
346 1 67 GLN QB 1 68 ARG H 3.260 . 3.260 3.010 2.766 3.301 0.041 11 0 "[ . 1 . 2]" 1
347 2 67 GLN QB 2 68 ARG H 3.260 . 3.260 3.089 2.765 3.272 0.012 4 0 "[ . 1 . 2]" 1
348 1 68 ARG H 1 68 ARG QB 3.150 . 3.150 2.883 2.660 3.114 . 0 0 "[ . 1 . 2]" 1
349 2 68 ARG H 2 68 ARG QB 3.150 . 3.150 2.903 2.666 3.109 . 0 0 "[ . 1 . 2]" 1
350 1 68 ARG H 1 68 ARG QG 3.020 . 3.020 2.051 1.832 3.131 0.111 11 0 "[ . 1 . 2]" 1
351 2 68 ARG H 2 68 ARG QG 3.020 . 3.020 2.196 1.844 3.207 0.187 17 0 "[ . 1 . 2]" 1
352 1 68 ARG H 1 69 ALA MB 4.120 . 4.120 3.868 3.601 4.199 0.079 9 0 "[ . 1 . 2]" 1
353 2 68 ARG H 2 69 ALA MB 4.120 . 4.120 3.785 3.502 4.064 . 0 0 "[ . 1 . 2]" 1
354 1 68 ARG H 1 69 ALA H 2.880 . 2.880 2.289 1.895 2.572 . 0 0 "[ . 1 . 2]" 1
355 2 68 ARG H 2 69 ALA H 2.880 . 2.880 2.228 2.052 2.548 . 0 0 "[ . 1 . 2]" 1
356 1 68 ARG QD 1 69 ALA H 4.590 . 4.590 3.274 2.663 3.847 . 0 0 "[ . 1 . 2]" 1
357 2 68 ARG QD 2 69 ALA H 4.590 . 4.590 3.204 2.656 3.682 . 0 0 "[ . 1 . 2]" 1
358 1 68 ARG QB 1 69 ALA H 4.080 . 4.080 3.890 3.750 3.997 . 0 0 "[ . 1 . 2]" 1
359 2 68 ARG QB 2 69 ALA H 4.080 . 4.080 3.889 3.689 3.993 . 0 0 "[ . 1 . 2]" 1
360 1 69 ALA H 1 69 ALA MB 2.640 . 2.640 2.272 2.200 2.678 0.038 9 0 "[ . 1 . 2]" 1
361 2 69 ALA H 2 69 ALA MB 2.640 . 2.640 2.251 2.170 2.324 . 0 0 "[ . 1 . 2]" 1
362 1 66 LEU MD2 1 69 ALA H 5.430 . 5.430 4.979 4.654 5.292 . 0 0 "[ . 1 . 2]" 1
363 2 66 LEU MD2 2 69 ALA H 5.430 . 5.430 5.032 4.615 5.286 . 0 0 "[ . 1 . 2]" 1
364 1 70 GLN H 1 70 GLN QB 3.350 . 3.350 2.815 2.341 3.378 0.028 7 0 "[ . 1 . 2]" 1
365 2 70 GLN H 2 70 GLN QB 3.350 . 3.350 2.775 2.418 3.376 0.026 10 0 "[ . 1 . 2]" 1
366 1 69 ALA MB 1 70 GLN H 3.550 . 3.550 3.188 2.777 3.581 0.031 19 0 "[ . 1 . 2]" 1
367 2 69 ALA MB 2 70 GLN H 3.550 . 3.550 3.168 2.329 3.562 0.012 1 0 "[ . 1 . 2]" 1
368 1 69 ALA H 1 70 GLN H 3.010 . 3.010 2.482 2.215 3.030 0.020 12 0 "[ . 1 . 2]" 1
369 2 69 ALA H 2 70 GLN H 3.010 . 3.010 2.502 2.154 3.010 0.000 13 0 "[ . 1 . 2]" 1
370 1 28 SER H 1 29 LEU H 3.920 . 3.920 2.491 2.414 2.630 . 0 0 "[ . 1 . 2]" 1
371 2 28 SER H 2 29 LEU H 3.920 . 3.920 2.475 2.394 2.566 . 0 0 "[ . 1 . 2]" 1
372 1 28 SER H 1 30 SER H 4.600 . 4.600 3.965 3.809 4.101 . 0 0 "[ . 1 . 2]" 1
373 2 28 SER H 2 30 SER H 4.600 . 4.600 3.940 3.765 4.107 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLU QG 1 28 SER H 4.290 . 4.290 4.068 2.194 4.294 0.004 3 0 "[ . 1 . 2]" 1
375 2 27 GLU QG 2 28 SER H 4.290 . 4.290 4.175 4.004 4.318 0.028 11 0 "[ . 1 . 2]" 1
376 2 27 GLU QB 2 28 SER H 3.360 . 3.360 2.709 2.401 2.939 . 0 0 "[ . 1 . 2]" 1
377 1 28 SER H 1 29 LEU HB2 4.720 . 4.720 4.359 4.261 4.513 . 0 0 "[ . 1 . 2]" 1
378 2 28 SER H 2 29 LEU HB2 4.720 . 4.720 4.345 4.227 4.477 . 0 0 "[ . 1 . 2]" 1
379 1 26 ASN QB 1 28 SER H 5.100 . 5.100 4.700 4.602 4.834 . 0 0 "[ . 1 . 2]" 1
380 2 26 ASN QB 2 28 SER H 5.100 . 5.100 4.744 4.604 4.839 . 0 0 "[ . 1 . 2]" 1
381 1 25 ILE HA 1 28 SER H 3.890 . 3.890 3.669 3.561 3.821 . 0 0 "[ . 1 . 2]" 1
382 2 25 ILE HA 2 28 SER H 3.890 . 3.890 3.653 3.519 3.761 . 0 0 "[ . 1 . 2]" 1
383 1 25 ILE MG 1 26 ASN H 3.430 . 3.430 3.083 2.963 3.213 . 0 0 "[ . 1 . 2]" 1
384 2 25 ILE MG 2 26 ASN H 3.430 . 3.430 3.150 2.998 3.328 . 0 0 "[ . 1 . 2]" 1
385 1 26 ASN H 1 27 GLU QG 4.670 . 4.670 4.279 3.968 4.472 . 0 0 "[ . 1 . 2]" 1
386 2 26 ASN H 2 27 GLU QG 4.670 . 4.670 4.254 4.078 4.416 . 0 0 "[ . 1 . 2]" 1
387 1 26 ASN H 1 27 GLU QB 4.780 . 4.780 4.702 4.551 4.831 0.051 15 0 "[ . 1 . 2]" 1
388 2 26 ASN H 2 27 GLU QB 4.780 . 4.780 4.684 4.557 4.798 0.018 13 0 "[ . 1 . 2]" 1
389 1 26 ASN H 1 26 ASN QB 3.410 . 3.410 2.477 2.436 2.527 . 0 0 "[ . 1 . 2]" 1
390 2 26 ASN H 2 26 ASN QB 3.410 . 3.410 2.489 2.373 2.602 . 0 0 "[ . 1 . 2]" 1
391 1 57 GLU H 1 58 MET H 3.700 . 3.700 2.704 2.597 2.799 . 0 0 "[ . 1 . 2]" 1
392 2 57 GLU H 2 58 MET H 3.700 . 3.700 2.687 2.533 2.787 . 0 0 "[ . 1 . 2]" 1
393 1 54 ASP HA 1 58 MET H 4.450 . 4.450 4.159 3.847 4.414 . 0 0 "[ . 1 . 2]" 1
394 2 54 ASP HA 2 58 MET H 4.450 . 4.450 4.155 3.912 4.361 . 0 0 "[ . 1 . 2]" 1
395 1 55 ILE HA 1 58 MET H 4.770 . 4.770 3.557 3.412 3.701 . 0 0 "[ . 1 . 2]" 1
396 2 55 ILE HA 2 58 MET H 4.770 . 4.770 3.536 3.379 3.669 . 0 0 "[ . 1 . 2]" 1
397 1 58 MET H 1 59 THR MG 5.500 . 5.500 5.614 5.554 5.661 0.161 14 0 "[ . 1 . 2]" 1
398 2 58 MET H 2 59 THR MG 5.500 . 5.500 5.600 5.510 5.641 0.141 14 0 "[ . 1 . 2]" 1
399 1 64 ARG H 1 64 ARG QD 4.060 . 4.060 2.381 2.060 2.631 . 0 0 "[ . 1 . 2]" 1
400 2 64 ARG H 2 64 ARG QD 4.060 . 4.060 2.347 1.898 2.678 . 0 0 "[ . 1 . 2]" 1
401 1 64 ARG H 1 64 ARG QB 3.150 . 3.150 2.604 2.364 2.849 . 0 0 "[ . 1 . 2]" 1
402 2 64 ARG H 2 64 ARG QB 3.150 . 3.150 2.564 2.296 2.759 . 0 0 "[ . 1 . 2]" 1
403 1 44 SER H 1 44 SER QB 3.500 . 3.500 2.394 2.238 2.713 . 0 0 "[ . 1 . 2]" 1
404 2 44 SER H 2 44 SER QB 3.500 . 3.500 2.456 2.244 2.747 . 0 0 "[ . 1 . 2]" 1
405 1 64 ARG H 1 65 ASN H 3.730 . 3.730 2.598 2.482 2.733 . 0 0 "[ . 1 . 2]" 1
406 2 64 ARG H 2 65 ASN H 3.730 . 3.730 2.628 2.425 2.745 . 0 0 "[ . 1 . 2]" 1
407 1 55 ILE H 1 56 LEU H 3.710 . 3.710 2.726 2.559 3.041 . 0 0 "[ . 1 . 2]" 1
408 2 55 ILE H 2 56 LEU H 3.710 . 3.710 2.787 2.675 2.966 . 0 0 "[ . 1 . 2]" 1
409 1 27 GLU H 1 30 SER H 5.010 . 5.010 4.741 4.577 4.890 . 0 0 "[ . 1 . 2]" 1
410 2 27 GLU H 2 30 SER H 5.010 . 5.010 4.709 4.487 4.827 . 0 0 "[ . 1 . 2]" 1
411 1 26 ASN QB 1 27 GLU H 3.780 . 3.780 2.450 2.380 2.559 . 0 0 "[ . 1 . 2]" 1
412 2 26 ASN QB 2 27 GLU H 3.780 . 3.780 2.507 2.348 2.612 . 0 0 "[ . 1 . 2]" 1
413 1 29 LEU H 1 29 LEU HB2 3.880 . 3.880 2.104 2.071 2.131 . 0 0 "[ . 1 . 2]" 1
414 2 29 LEU H 2 29 LEU HB2 3.880 . 3.880 2.110 2.079 2.147 . 0 0 "[ . 1 . 2]" 1
415 1 26 ASN HA 1 29 LEU H 4.240 . 4.240 3.556 3.352 3.711 . 0 0 "[ . 1 . 2]" 1
416 2 26 ASN HA 2 29 LEU H 4.240 . 4.240 3.596 3.413 3.859 . 0 0 "[ . 1 . 2]" 1
417 1 25 ILE HA 1 29 LEU H 4.490 . 4.490 4.031 3.813 4.238 . 0 0 "[ . 1 . 2]" 1
418 2 25 ILE HA 2 29 LEU H 4.490 . 4.490 4.040 3.882 4.275 . 0 0 "[ . 1 . 2]" 1
419 1 60 VAL H 1 60 VAL HB 3.790 . 3.790 2.565 2.431 2.637 . 0 0 "[ . 1 . 2]" 1
420 2 60 VAL H 2 60 VAL HB 3.790 . 3.790 2.548 2.469 2.629 . 0 0 "[ . 1 . 2]" 1
421 1 32 LEU QB 2 60 VAL H 4.710 . 4.710 4.694 4.417 4.760 0.050 5 0 "[ . 1 . 2]" 1
422 1 60 VAL H 2 32 LEU QB 4.710 . 4.710 4.687 4.535 4.767 0.057 5 0 "[ . 1 . 2]" 1
423 1 59 THR HB 1 60 VAL H 4.000 . 4.000 2.537 2.346 2.822 . 0 0 "[ . 1 . 2]" 1
424 2 59 THR HB 2 60 VAL H 4.000 . 4.000 2.537 2.374 2.955 . 0 0 "[ . 1 . 2]" 1
425 1 58 MET H 1 60 VAL H 4.760 . 4.760 3.994 3.807 4.213 . 0 0 "[ . 1 . 2]" 1
426 2 58 MET H 2 60 VAL H 4.760 . 4.760 4.053 3.950 4.289 . 0 0 "[ . 1 . 2]" 1
427 1 54 ASP HB3 1 55 ILE H 4.220 . 4.220 2.793 2.309 3.382 . 0 0 "[ . 1 . 2]" 1
428 2 54 ASP HB3 2 55 ILE H 4.220 . 4.220 2.952 2.279 3.492 . 0 0 "[ . 1 . 2]" 1
429 1 54 ASP HB2 1 55 ILE H 4.220 . 4.220 3.224 2.090 3.716 . 0 0 "[ . 1 . 2]" 1
430 2 54 ASP HB2 2 55 ILE H 4.220 . 4.220 2.828 2.107 3.601 . 0 0 "[ . 1 . 2]" 1
431 1 57 GLU H 1 57 GLU HB2 3.480 . 3.480 2.855 2.605 3.538 0.058 2 0 "[ . 1 . 2]" 1
432 2 57 GLU H 2 57 GLU HB2 3.480 . 3.480 2.743 2.598 3.016 . 0 0 "[ . 1 . 2]" 1
433 1 55 ILE H 1 55 ILE HB 3.710 . 3.710 2.445 2.312 2.513 . 0 0 "[ . 1 . 2]" 1
434 2 55 ILE H 2 55 ILE HB 3.710 . 3.710 2.464 2.350 2.617 . 0 0 "[ . 1 . 2]" 1
435 1 57 GLU H 1 57 GLU HB3 3.860 . 3.860 2.285 2.205 2.415 . 0 0 "[ . 1 . 2]" 1
436 2 57 GLU H 2 57 GLU HB3 3.860 . 3.860 2.300 2.151 2.480 . 0 0 "[ . 1 . 2]" 1
437 1 56 LEU H 1 57 GLU H 4.250 . 4.250 2.818 2.735 2.997 . 0 0 "[ . 1 . 2]" 1
438 2 56 LEU H 2 57 GLU H 4.250 . 4.250 2.832 2.687 2.959 . 0 0 "[ . 1 . 2]" 1
439 1 61 LYS H 1 61 LYS QB 3.260 . 3.260 2.517 2.437 2.630 . 0 0 "[ . 1 . 2]" 1
440 2 61 LYS H 2 61 LYS QB 3.260 . 3.260 2.518 2.454 2.558 . 0 0 "[ . 1 . 2]" 1
441 1 60 VAL MG1 1 61 LYS H 4.030 . 4.030 3.442 3.235 3.575 . 0 0 "[ . 1 . 2]" 1
442 2 60 VAL MG1 2 61 LYS H 4.030 . 4.030 3.481 3.254 3.587 . 0 0 "[ . 1 . 2]" 1
443 1 60 VAL MG2 1 61 LYS H 3.650 . 3.650 3.637 3.452 3.719 0.069 8 0 "[ . 1 . 2]" 1
444 2 60 VAL MG2 2 61 LYS H 3.650 . 3.650 3.659 3.575 3.699 0.049 17 0 "[ . 1 . 2]" 1
445 1 61 LYS H 1 61 LYS QE 4.830 . 4.830 4.346 3.567 4.834 0.004 13 0 "[ . 1 . 2]" 1
446 2 61 LYS H 2 61 LYS QE 4.830 . 4.830 4.060 3.538 4.834 0.004 17 0 "[ . 1 . 2]" 1
447 1 60 VAL H 1 61 LYS H 3.930 . 3.930 2.654 2.544 2.773 . 0 0 "[ . 1 . 2]" 1
448 2 60 VAL H 2 61 LYS H 3.930 . 3.930 2.645 2.527 2.779 . 0 0 "[ . 1 . 2]" 1
449 1 70 GLN HA 1 70 GLN HE21 4.840 . 4.840 4.254 3.461 4.698 . 0 0 "[ . 1 . 2]" 1
450 2 70 GLN HA 2 70 GLN HE21 4.840 . 4.840 3.932 3.099 4.677 . 0 0 "[ . 1 . 2]" 1
451 1 68 ARG QG 1 70 GLN HE21 5.500 . 5.500 5.555 4.712 5.671 0.171 8 0 "[ . 1 . 2]" 1
452 2 68 ARG QG 2 70 GLN HE21 5.500 . 5.500 5.547 5.139 5.664 0.164 5 0 "[ . 1 . 2]" 1
453 1 69 ALA MB 1 70 GLN HE21 4.540 . 4.540 2.725 1.833 3.541 . 0 0 "[ . 1 . 2]" 1
454 2 69 ALA MB 2 70 GLN HE21 4.540 . 4.540 2.644 1.685 3.295 . 0 0 "[ . 1 . 2]" 1
455 1 61 LYS QB 1 65 ASN HD21 5.280 . 5.280 4.740 4.166 5.281 0.001 11 0 "[ . 1 . 2]" 1
456 2 61 LYS QB 2 65 ASN HD21 5.280 . 5.280 4.782 4.090 5.217 . 0 0 "[ . 1 . 2]" 1
457 1 40 LEU QB 1 65 ASN HD21 5.500 . 5.500 5.476 5.144 5.584 0.084 9 0 "[ . 1 . 2]" 1
458 2 40 LEU QB 2 65 ASN HD21 5.500 . 5.500 5.429 4.566 5.616 0.116 3 0 "[ . 1 . 2]" 1
459 1 65 ASN HD21 1 66 LEU HG 5.170 . 5.170 4.913 4.470 5.157 . 0 0 "[ . 1 . 2]" 1
460 2 65 ASN HD21 2 66 LEU HG 5.170 . 5.170 4.802 4.323 5.185 0.015 3 0 "[ . 1 . 2]" 1
461 1 62 HIS HA 1 65 ASN HD21 3.790 . 3.790 2.220 1.954 2.499 . 0 0 "[ . 1 . 2]" 1
462 2 62 HIS HA 2 65 ASN HD21 3.790 . 3.790 2.191 1.974 2.677 . 0 0 "[ . 1 . 2]" 1
463 1 39 ALA HA 2 67 GLN HE22 4.510 . 4.510 4.481 4.163 4.582 0.072 15 0 "[ . 1 . 2]" 1
464 1 67 GLN HE22 2 39 ALA HA 4.510 . 4.510 4.496 4.224 4.574 0.064 20 0 "[ . 1 . 2]" 1
465 1 31 GLN HE22 1 31 GLN HG2 3.510 . 3.510 3.464 3.405 3.609 0.099 20 0 "[ . 1 . 2]" 1
466 2 31 GLN HE22 2 31 GLN HG2 3.510 . 3.510 3.461 3.413 3.507 . 0 0 "[ . 1 . 2]" 1
467 1 67 GLN HE22 1 67 GLN HG2 3.640 . 3.640 3.551 3.453 3.706 0.066 3 0 "[ . 1 . 2]" 1
468 2 67 GLN HE22 2 67 GLN HG2 3.640 . 3.640 3.539 3.449 3.708 0.068 20 0 "[ . 1 . 2]" 1
469 1 31 GLN QB 1 31 GLN HE22 3.680 . 3.680 3.570 3.250 3.787 0.107 1 0 "[ . 1 . 2]" 1
470 2 31 GLN QB 2 31 GLN HE22 3.680 . 3.680 3.593 3.548 3.791 0.111 19 0 "[ . 1 . 2]" 1
471 1 67 GLN QB 1 67 GLN HE22 4.270 . 4.270 4.147 3.547 4.241 . 0 0 "[ . 1 . 2]" 1
472 2 67 GLN QB 2 67 GLN HE22 4.270 . 4.270 4.153 3.631 4.226 . 0 0 "[ . 1 . 2]" 1
473 1 39 ALA MB 2 67 GLN HE22 4.020 . 4.020 2.673 2.271 3.057 . 0 0 "[ . 1 . 2]" 1
474 1 67 GLN HE22 2 39 ALA MB 4.020 . 4.020 2.726 2.300 3.063 . 0 0 "[ . 1 . 2]" 1
475 1 60 VAL MG1 2 31 GLN HE22 5.360 . 5.360 4.698 4.106 5.152 . 0 0 "[ . 1 . 2]" 1
476 1 31 GLN HE22 2 60 VAL MG1 5.360 . 5.360 4.693 4.389 5.162 . 0 0 "[ . 1 . 2]" 1
477 1 23 ALA HA 1 26 ASN HD21 4.170 . 4.170 2.737 2.364 3.070 . 0 0 "[ . 1 . 2]" 1
478 2 23 ALA HA 2 26 ASN HD21 4.170 . 4.170 2.703 2.305 2.845 . 0 0 "[ . 1 . 2]" 1
479 1 26 ASN H 1 26 ASN HD21 4.490 . 4.490 2.937 2.254 3.613 . 0 0 "[ . 1 . 2]" 1
480 2 26 ASN H 2 26 ASN HD21 4.490 . 4.490 2.409 2.243 3.522 . 0 0 "[ . 1 . 2]" 1
481 1 22 ARG QD 1 26 ASN HD21 5.250 . 5.250 4.835 4.510 5.250 . 0 0 "[ . 1 . 2]" 1
482 2 22 ARG QD 2 26 ASN HD21 5.250 . 5.250 4.813 4.563 5.248 . 0 0 "[ . 1 . 2]" 1
483 1 22 ARG QB 1 26 ASN HD21 4.900 . 4.900 4.455 3.296 4.925 0.025 5 0 "[ . 1 . 2]" 1
484 2 22 ARG QB 2 26 ASN HD21 4.900 . 4.900 4.120 2.980 4.921 0.021 2 0 "[ . 1 . 2]" 1
485 1 23 ALA MB 1 26 ASN HD21 4.530 . 4.530 4.294 4.057 4.540 0.010 15 0 "[ . 1 . 2]" 1
486 2 23 ALA MB 2 26 ASN HD21 4.530 . 4.530 4.296 3.933 4.412 . 0 0 "[ . 1 . 2]" 1
487 1 25 ILE MG 1 26 ASN HD21 5.310 . 5.310 4.809 4.182 5.334 0.024 17 0 "[ . 1 . 2]" 1
488 2 25 ILE MG 2 26 ASN HD21 5.310 . 5.310 4.425 4.020 5.320 0.010 2 0 "[ . 1 . 2]" 1
489 1 67 GLN HE21 1 67 GLN HG2 3.540 . 3.540 2.461 2.231 2.862 . 0 0 "[ . 1 . 2]" 1
490 2 67 GLN HE21 2 67 GLN HG2 3.540 . 3.540 2.429 2.235 2.861 . 0 0 "[ . 1 . 2]" 1
491 1 67 GLN HE21 1 67 GLN HG3 3.480 . 3.480 2.695 2.177 3.452 . 0 0 "[ . 1 . 2]" 1
492 2 67 GLN HE21 2 67 GLN HG3 3.480 . 3.480 2.755 2.158 3.483 0.003 5 0 "[ . 1 . 2]" 1
493 1 31 GLN QB 1 31 GLN HE21 3.330 . 3.330 2.740 1.866 3.442 0.112 1 0 "[ . 1 . 2]" 1
494 2 31 GLN QB 2 31 GLN HE21 3.330 . 3.330 2.790 2.699 3.429 0.099 19 0 "[ . 1 . 2]" 1
495 1 67 GLN QB 1 67 GLN HE21 3.920 . 3.920 3.787 2.955 3.962 0.042 7 0 "[ . 1 . 2]" 1
496 2 67 GLN QB 2 67 GLN HE21 3.920 . 3.920 3.784 3.050 3.952 0.032 7 0 "[ . 1 . 2]" 1
497 1 39 ALA MB 2 67 GLN HE21 4.190 . 4.190 2.749 1.683 3.842 . 0 0 "[ . 1 . 2]" 1
498 1 67 GLN HE21 2 39 ALA MB 4.190 . 4.190 2.682 1.673 4.018 . 0 0 "[ . 1 . 2]" 1
499 1 60 VAL MG1 2 31 GLN HE21 5.500 . 5.500 4.780 4.172 5.183 . 0 0 "[ . 1 . 2]" 1
500 1 31 GLN HE21 2 60 VAL MG1 5.500 . 5.500 4.769 4.410 5.166 . 0 0 "[ . 1 . 2]" 1
501 1 31 GLN H 1 31 GLN HE21 4.510 . 4.510 3.558 3.234 4.006 . 0 0 "[ . 1 . 2]" 1
502 2 31 GLN H 2 31 GLN HE21 4.510 . 4.510 3.533 3.180 3.968 . 0 0 "[ . 1 . 2]" 1
503 1 26 ASN H 1 26 ASN HD22 4.680 . 4.680 3.739 3.502 3.977 . 0 0 "[ . 1 . 2]" 1
504 2 26 ASN H 2 26 ASN HD22 4.680 . 4.680 3.595 3.516 3.888 . 0 0 "[ . 1 . 2]" 1
505 1 23 ALA HA 1 26 ASN HD22 4.320 . 4.320 4.055 3.764 4.320 . 14 0 "[ . 1 . 2]" 1
506 2 23 ALA HA 2 26 ASN HD22 4.320 . 4.320 4.154 3.601 4.366 0.046 13 0 "[ . 1 . 2]" 1
507 1 26 ASN QB 1 26 ASN HD22 3.520 . 3.520 3.221 3.161 3.279 . 0 0 "[ . 1 . 2]" 1
508 2 26 ASN QB 2 26 ASN HD22 3.520 . 3.520 3.260 3.189 3.285 . 0 0 "[ . 1 . 2]" 1
509 1 23 ALA MB 1 26 ASN HD22 5.500 . 5.500 5.325 5.080 5.545 0.045 14 0 "[ . 1 . 2]" 1
510 2 23 ALA MB 2 26 ASN HD22 5.500 . 5.500 5.420 4.929 5.529 0.029 11 0 "[ . 1 . 2]" 1
511 1 61 LYS QB 1 65 ASN HD22 4.260 . 4.260 3.864 3.193 4.267 0.007 11 0 "[ . 1 . 2]" 1
512 2 61 LYS QB 2 65 ASN HD22 4.260 . 4.260 3.855 3.254 4.209 . 0 0 "[ . 1 . 2]" 1
513 1 70 GLN QB 1 70 GLN HE22 4.770 . 4.770 3.978 3.536 4.493 . 0 0 "[ . 1 . 2]" 1
514 2 70 GLN QB 2 70 GLN HE22 4.770 . 4.770 4.041 3.516 4.389 . 0 0 "[ . 1 . 2]" 1
515 1 69 ALA MB 1 70 GLN HE22 4.090 . 4.090 3.289 1.909 4.206 0.116 2 0 "[ . 1 . 2]" 1
516 2 69 ALA MB 2 70 GLN HE22 4.090 . 4.090 3.076 2.162 4.200 0.110 5 0 "[ . 1 . 2]" 1
517 1 66 LEU MD2 1 70 GLN HE22 4.840 . 4.840 4.348 1.655 4.912 0.072 7 0 "[ . 1 . 2]" 1
518 2 66 LEU MD2 2 70 GLN HE22 4.840 . 4.840 4.472 2.039 4.900 0.060 3 0 "[ . 1 . 2]" 1
519 1 65 ASN HB3 1 65 ASN HD22 3.750 . 3.750 3.744 3.709 3.761 0.011 3 0 "[ . 1 . 2]" 1
520 2 65 ASN HB3 2 65 ASN HD22 3.750 . 3.750 3.748 3.708 3.771 0.021 1 0 "[ . 1 . 2]" 1
521 1 65 ASN HB2 1 65 ASN HD22 3.610 . 3.610 3.502 3.466 3.541 . 0 0 "[ . 1 . 2]" 1
522 2 65 ASN HB2 2 65 ASN HD22 3.610 . 3.610 3.491 3.435 3.556 . 0 0 "[ . 1 . 2]" 1
523 1 62 HIS HA 1 65 ASN HD22 3.800 . 3.800 3.049 2.598 3.449 . 0 0 "[ . 1 . 2]" 1
524 2 62 HIS HA 2 65 ASN HD22 3.800 . 3.800 2.982 2.528 3.543 . 0 0 "[ . 1 . 2]" 1
525 1 29 LEU H 1 29 LEU MD1 4.090 . 4.090 4.041 3.973 4.091 0.001 16 0 "[ . 1 . 2]" 1
526 2 29 LEU H 2 29 LEU MD1 4.090 . 4.090 4.039 3.984 4.090 0.000 16 0 "[ . 1 . 2]" 1
527 1 31 GLN H 1 32 LEU H 4.070 . 4.070 2.497 2.383 2.599 . 0 0 "[ . 1 . 2]" 1
528 2 31 GLN H 2 32 LEU H 4.070 . 4.070 2.526 2.408 2.638 . 0 0 "[ . 1 . 2]" 1
529 1 36 ILE H 1 38 ASP H 4.760 . 4.760 3.917 3.715 4.215 . 0 0 "[ . 1 . 2]" 1
530 2 36 ILE H 2 38 ASP H 4.760 . 4.760 3.905 3.717 4.155 . 0 0 "[ . 1 . 2]" 1
531 1 38 ASP H 1 38 ASP HB3 3.570 . 3.570 2.766 2.461 3.603 0.033 4 0 "[ . 1 . 2]" 1
532 2 38 ASP H 2 38 ASP HB3 3.570 . 3.570 2.818 2.352 3.615 0.045 6 0 "[ . 1 . 2]" 1
533 1 38 ASP H 1 38 ASP HB2 3.400 . 3.400 2.299 2.165 2.370 . 0 0 "[ . 1 . 2]" 1
534 2 38 ASP H 2 38 ASP HB2 3.400 . 3.400 2.306 2.097 2.434 . 0 0 "[ . 1 . 2]" 1
535 1 38 ASP H 1 39 ALA MB 4.280 . 4.280 4.183 4.007 4.323 0.043 1 0 "[ . 1 . 2]" 1
536 2 38 ASP H 2 39 ALA MB 4.280 . 4.280 4.200 4.092 4.309 0.029 10 0 "[ . 1 . 2]" 1
537 1 41 LYS QB 1 42 LYS H 4.030 . 4.030 3.810 3.655 3.893 . 0 0 "[ . 1 . 2]" 1
538 2 41 LYS QB 2 42 LYS H 4.030 . 4.030 3.826 3.758 3.917 . 0 0 "[ . 1 . 2]" 1
539 1 66 LEU HA 1 70 GLN HE22 4.680 . 4.680 3.958 1.776 4.743 0.063 7 0 "[ . 1 . 2]" 1
540 2 66 LEU HA 2 70 GLN HE22 4.680 . 4.680 3.922 1.765 4.775 0.095 10 0 "[ . 1 . 2]" 1
541 1 70 GLN H 1 70 GLN HE22 5.320 . 5.320 4.026 3.147 4.965 . 0 0 "[ . 1 . 2]" 1
542 2 70 GLN H 2 70 GLN HE22 5.320 . 5.320 3.901 2.678 4.823 . 0 0 "[ . 1 . 2]" 1
543 1 31 GLN H 1 31 GLN HE22 5.480 . 5.480 5.130 4.844 5.494 0.014 4 0 "[ . 1 . 2]" 1
544 2 31 GLN H 2 31 GLN HE22 5.480 . 5.480 5.118 4.812 5.435 . 0 0 "[ . 1 . 2]" 1
545 1 63 LEU H 1 64 ARG H 4.060 . 4.060 2.498 2.262 2.783 . 0 0 "[ . 1 . 2]" 1
546 2 63 LEU H 2 64 ARG H 4.060 . 4.060 2.539 2.274 2.838 . 0 0 "[ . 1 . 2]" 1
547 1 62 HIS H 1 64 ARG H 5.200 . 5.200 4.103 3.895 4.340 . 0 0 "[ . 1 . 2]" 1
548 2 62 HIS H 2 64 ARG H 5.200 . 5.200 4.129 3.960 4.312 . 0 0 "[ . 1 . 2]" 1
549 1 51 GLU H 1 55 ILE H 5.050 . 5.050 4.316 3.759 4.718 . 0 0 "[ . 1 . 2]" 1
550 2 51 GLU H 2 55 ILE H 5.050 . 5.050 4.089 3.747 4.374 . 0 0 "[ . 1 . 2]" 1
551 1 53 ALA H 1 55 ILE H 5.470 . 5.470 4.179 4.040 4.385 . 0 0 "[ . 1 . 2]" 1
552 2 53 ALA H 2 55 ILE H 5.470 . 5.470 4.266 4.067 4.411 . 0 0 "[ . 1 . 2]" 1
553 1 62 HIS HA 1 64 ARG H 4.650 . 4.650 4.103 3.762 4.367 . 0 0 "[ . 1 . 2]" 1
554 2 62 HIS HA 2 64 ARG H 4.650 . 4.650 4.175 3.955 4.466 . 0 0 "[ . 1 . 2]" 1
555 1 30 SER HA 1 32 LEU H 5.020 . 5.020 4.285 4.156 4.499 . 0 0 "[ . 1 . 2]" 1
556 2 30 SER HA 2 32 LEU H 5.020 . 5.020 4.290 4.092 4.415 . 0 0 "[ . 1 . 2]" 1
557 1 34 THR HB 1 36 ILE H 5.500 . 5.500 4.846 4.653 5.083 . 0 0 "[ . 1 . 2]" 1
558 2 34 THR HB 2 36 ILE H 5.500 . 5.500 4.810 4.725 4.936 . 0 0 "[ . 1 . 2]" 1
559 1 51 GLU H 1 54 ASP HA 5.500 . 5.500 5.250 4.718 5.560 0.060 8 0 "[ . 1 . 2]" 1
560 2 51 GLU H 2 54 ASP HA 5.500 . 5.500 5.100 4.882 5.589 0.089 3 0 "[ . 1 . 2]" 1
561 1 53 ALA H 1 54 ASP HA 5.500 . 5.500 5.279 5.218 5.369 . 0 0 "[ . 1 . 2]" 1
562 2 53 ALA H 2 54 ASP HA 5.500 . 5.500 5.290 5.202 5.345 . 0 0 "[ . 1 . 2]" 1
563 1 56 LEU HA 1 58 MET H 5.480 . 5.480 4.295 4.156 4.521 . 0 0 "[ . 1 . 2]" 1
564 2 56 LEU HA 2 58 MET H 5.480 . 5.480 4.345 4.187 4.486 . 0 0 "[ . 1 . 2]" 1
565 1 43 ASP HB2 1 44 SER H 4.450 . 4.450 4.075 3.689 4.214 . 0 0 "[ . 1 . 2]" 1
566 2 43 ASP HB2 2 44 SER H 4.450 . 4.450 4.029 3.852 4.174 . 0 0 "[ . 1 . 2]" 1
567 1 57 GLU HG2 1 58 MET H 4.750 . 4.750 3.482 2.651 3.802 . 0 0 "[ . 1 . 2]" 1
568 2 57 GLU HG2 2 58 MET H 4.750 . 4.750 3.611 3.205 4.026 . 0 0 "[ . 1 . 2]" 1
569 1 31 GLN HG3 1 32 LEU H 4.590 . 4.590 2.707 2.445 2.967 . 0 0 "[ . 1 . 2]" 1
570 2 31 GLN HG3 2 32 LEU H 4.590 . 4.590 2.668 2.500 2.889 . 0 0 "[ . 1 . 2]" 1
571 1 57 GLU HB2 1 58 MET H 4.400 . 4.400 4.178 3.833 4.327 . 0 0 "[ . 1 . 2]" 1
572 2 57 GLU HB2 2 58 MET H 4.400 . 4.400 4.153 4.004 4.295 . 0 0 "[ . 1 . 2]" 1
573 1 51 GLU HB2 1 52 LYS H 4.090 . 4.090 3.763 3.496 4.040 . 0 0 "[ . 1 . 2]" 1
574 2 51 GLU HB2 2 52 LYS H 4.090 . 4.090 3.700 3.375 4.015 . 0 0 "[ . 1 . 2]" 1
575 1 29 LEU H 1 29 LEU HB3 4.000 . 4.000 2.800 2.706 2.941 . 0 0 "[ . 1 . 2]" 1
576 2 29 LEU H 2 29 LEU HB3 4.000 . 4.000 2.781 2.554 2.939 . 0 0 "[ . 1 . 2]" 1
577 1 52 LYS QB 1 53 ALA H 4.160 . 4.160 2.492 2.234 2.593 . 0 0 "[ . 1 . 2]" 1
578 2 52 LYS QB 2 53 ALA H 4.160 . 4.160 2.509 2.294 2.627 . 0 0 "[ . 1 . 2]" 1
579 1 52 LYS H 1 52 LYS QB 3.870 . 3.870 2.218 2.180 2.259 . 0 0 "[ . 1 . 2]" 1
580 2 52 LYS H 2 52 LYS QB 3.870 . 3.870 2.217 2.138 2.263 . 0 0 "[ . 1 . 2]" 1
581 1 21 ARG HG3 2 53 ALA H 4.220 . 4.220 3.563 3.014 4.158 . 0 0 "[ . 1 . 2]" 1
582 1 53 ALA H 2 21 ARG HG3 4.220 . 4.220 3.513 2.736 3.950 . 0 0 "[ . 1 . 2]" 1
583 1 21 ARG HG2 2 53 ALA H 4.600 . 4.600 3.699 3.303 4.149 . 0 0 "[ . 1 . 2]" 1
584 1 53 ALA H 2 21 ARG HG2 4.600 . 4.600 3.669 3.090 4.016 . 0 0 "[ . 1 . 2]" 1
585 1 58 MET H 1 61 LYS HG3 4.710 . 4.710 4.579 4.159 4.814 0.104 14 0 "[ . 1 . 2]" 1
586 2 58 MET H 2 61 LYS HG3 4.710 . 4.710 4.521 4.264 4.758 0.048 9 0 "[ . 1 . 2]" 1
587 1 52 LYS HG3 1 53 ALA H 4.180 . 4.180 4.239 4.217 4.265 0.085 19 0 "[ . 1 . 2]" 1
588 2 52 LYS HG3 2 53 ALA H 4.180 . 4.180 4.247 4.207 4.292 0.112 2 0 "[ . 1 . 2]" 1
589 1 36 ILE H 1 36 ILE HG13 4.080 . 4.080 3.737 3.648 3.853 . 0 0 "[ . 1 . 2]" 1
590 2 36 ILE H 2 36 ILE HG13 4.080 . 4.080 3.742 3.593 3.852 . 0 0 "[ . 1 . 2]" 1
591 1 36 ILE H 1 59 THR MG 4.900 . 4.900 4.743 4.604 4.915 0.015 20 0 "[ . 1 . 2]" 1
592 2 36 ILE H 2 59 THR MG 4.900 . 4.900 4.788 4.681 4.912 0.012 12 0 "[ . 1 . 2]" 1
593 1 36 ILE H 1 36 ILE MG 4.100 . 4.100 3.750 3.648 3.799 . 0 0 "[ . 1 . 2]" 1
594 2 36 ILE H 2 36 ILE MG 4.100 . 4.100 3.757 3.705 3.795 . 0 0 "[ . 1 . 2]" 1
595 1 29 LEU H 1 29 LEU MD2 4.990 . 4.990 4.301 4.269 4.332 . 0 0 "[ . 1 . 2]" 1
596 2 29 LEU H 2 29 LEU MD2 4.990 . 4.990 4.291 4.181 4.325 . 0 0 "[ . 1 . 2]" 1
597 1 51 GLU H 1 55 ILE MD 4.320 . 4.320 4.152 3.736 4.325 0.005 1 0 "[ . 1 . 2]" 1
598 2 51 GLU H 2 55 ILE MD 4.320 . 4.320 4.122 3.951 4.332 0.012 10 0 "[ . 1 . 2]" 1
599 1 55 ILE QG 1 56 LEU H 4.650 . 4.650 3.945 3.751 4.400 . 0 0 "[ . 1 . 2]" 1
600 2 55 ILE QG 2 56 LEU H 4.650 . 4.650 3.926 3.791 4.077 . 0 0 "[ . 1 . 2]" 1
601 1 55 ILE H 1 55 ILE QG 4.260 . 4.260 2.035 1.796 3.145 . 0 0 "[ . 1 . 2]" 1
602 2 55 ILE H 2 55 ILE QG 4.260 . 4.260 1.931 1.751 2.084 . 0 0 "[ . 1 . 2]" 1
603 1 36 ILE MG 1 39 ALA H 4.860 . 4.860 4.673 4.388 4.897 0.037 12 0 "[ . 1 . 2]" 1
604 2 36 ILE MG 2 39 ALA H 4.860 . 4.860 4.608 4.393 4.940 0.080 20 0 "[ . 1 . 2]" 1
605 1 36 ILE MG 1 38 ASP H 5.180 . 5.180 4.702 4.540 4.950 . 0 0 "[ . 1 . 2]" 1
606 2 36 ILE MG 2 38 ASP H 5.180 . 5.180 4.673 4.413 4.973 . 0 0 "[ . 1 . 2]" 1
607 1 25 ILE H 1 25 ILE MD 3.410 . 3.410 3.480 3.433 3.521 0.111 6 0 "[ . 1 . 2]" 1
608 2 25 ILE H 2 25 ILE MD 3.410 . 3.410 3.483 3.437 3.525 0.115 5 0 "[ . 1 . 2]" 1
609 1 29 LEU MD2 1 30 SER H 4.250 . 4.250 3.898 3.740 4.065 . 0 0 "[ . 1 . 2]" 1
610 2 29 LEU MD2 2 30 SER H 4.250 . 4.250 3.889 3.719 4.103 . 0 0 "[ . 1 . 2]" 1
611 1 40 LEU MD1 1 65 ASN HD21 4.650 . 4.650 3.998 3.337 4.520 . 0 0 "[ . 1 . 2]" 1
612 2 40 LEU MD1 2 65 ASN HD21 4.650 . 4.650 4.048 3.478 4.583 . 0 0 "[ . 1 . 2]" 1
613 1 40 LEU MD2 1 65 ASN HD21 4.650 . 4.650 2.950 2.145 3.694 . 0 0 "[ . 1 . 2]" 1
614 2 40 LEU MD2 2 65 ASN HD21 4.650 . 4.650 2.920 2.294 3.392 . 0 0 "[ . 1 . 2]" 1
615 1 34 THR H 1 55 ILE MG 5.280 . 5.280 4.985 4.765 5.194 . 0 0 "[ . 1 . 2]" 1
616 2 34 THR H 2 55 ILE MG 5.280 . 5.280 4.946 4.719 5.177 . 0 0 "[ . 1 . 2]" 1
617 1 66 LEU H 1 66 LEU MD2 3.940 . 3.940 3.555 3.225 3.765 . 0 0 "[ . 1 . 2]" 1
618 2 66 LEU H 2 66 LEU MD2 3.940 . 3.940 3.492 3.284 3.779 . 0 0 "[ . 1 . 2]" 1
619 1 66 LEU MD2 1 67 GLN H 5.260 . 5.260 4.737 4.671 4.836 . 0 0 "[ . 1 . 2]" 1
620 2 66 LEU MD2 2 67 GLN H 5.260 . 5.260 4.738 4.627 4.861 . 0 0 "[ . 1 . 2]" 1
621 1 37 LEU MD2 1 47 HIS H 4.930 . 4.930 3.964 3.316 4.794 . 0 0 "[ . 1 . 2]" 1
622 2 37 LEU MD2 2 47 HIS H 4.930 . 4.930 4.090 3.346 4.939 0.009 17 0 "[ . 1 . 2]" 1
623 1 37 LEU MD2 1 38 ASP H 4.800 . 4.800 4.686 4.219 4.824 0.024 12 0 "[ . 1 . 2]" 1
624 2 37 LEU MD2 2 38 ASP H 4.800 . 4.800 4.668 4.049 4.824 0.024 5 0 "[ . 1 . 2]" 1
625 1 18 GLU H 1 18 GLU QB 3.370 . 3.370 2.603 2.496 2.697 . 0 0 "[ . 1 . 2]" 1
626 2 18 GLU H 2 18 GLU QB 3.370 . 3.370 2.587 2.380 2.761 . 0 0 "[ . 1 . 2]" 1
627 1 18 GLU QB 1 19 LYS H 3.690 . 3.690 3.647 3.542 3.726 0.036 13 0 "[ . 1 . 2]" 1
628 2 18 GLU QB 2 19 LYS H 3.690 . 3.690 3.618 3.518 3.709 0.019 10 0 "[ . 1 . 2]" 1
629 1 55 ILE HB 1 56 LEU H 3.760 . 3.760 2.398 2.256 2.574 . 0 0 "[ . 1 . 2]" 1
630 2 55 ILE HB 2 56 LEU H 3.760 . 3.760 2.375 2.276 2.562 . 0 0 "[ . 1 . 2]" 1
631 1 15 PRO HG2 1 16 ILE H 4.530 . 4.530 2.448 2.223 3.594 . 0 0 "[ . 1 . 2]" 1
632 2 15 PRO HG2 2 16 ILE H 4.530 . 4.530 2.641 2.272 3.755 . 0 0 "[ . 1 . 2]" 1
633 1 40 LEU H 1 41 LYS QB 4.880 . 4.880 4.771 4.565 4.919 0.039 7 0 "[ . 1 . 2]" 1
634 2 40 LEU H 2 41 LYS QB 4.880 . 4.880 4.781 4.608 4.904 0.024 10 0 "[ . 1 . 2]" 1
635 1 22 ARG H 1 22 ARG QB 3.330 . 3.330 2.227 2.153 2.663 . 0 0 "[ . 1 . 2]" 1
636 2 22 ARG H 2 22 ARG QB 3.330 . 3.330 2.280 2.104 2.927 . 0 0 "[ . 1 . 2]" 1
637 1 37 LEU HB3 1 38 ASP H 3.820 . 3.820 2.896 2.298 3.733 . 0 0 "[ . 1 . 2]" 1
638 2 37 LEU HB3 2 38 ASP H 3.820 . 3.820 2.986 2.640 3.676 . 0 0 "[ . 1 . 2]" 1
639 1 25 ILE HB 1 26 ASN H 3.350 . 3.350 2.327 2.182 2.446 . 0 0 "[ . 1 . 2]" 1
640 2 25 ILE HB 2 26 ASN H 3.350 . 3.350 2.350 2.179 2.482 . 0 0 "[ . 1 . 2]" 1
641 1 14 LYS H 1 14 LYS HB3 3.700 . 3.700 3.570 3.221 3.669 . 0 0 "[ . 1 . 2]" 1
642 2 14 LYS H 2 14 LYS HB3 3.700 . 3.700 3.500 1.925 3.650 . 0 0 "[ . 1 . 2]" 1
643 1 64 ARG QB 1 65 ASN H 3.170 . 3.170 2.516 2.336 2.951 . 0 0 "[ . 1 . 2]" 1
644 2 64 ARG QB 2 65 ASN H 3.170 . 3.170 2.502 2.237 2.845 . 0 0 "[ . 1 . 2]" 1
645 1 14 LYS H 1 14 LYS HB2 3.700 . 3.700 2.426 2.062 3.564 . 0 0 "[ . 1 . 2]" 1
646 2 14 LYS H 2 14 LYS HB2 3.700 . 3.700 2.358 2.234 2.446 . 0 0 "[ . 1 . 2]" 1
647 1 46 ARG H 1 46 ARG QB 3.430 . 3.430 2.599 2.463 2.783 . 0 0 "[ . 1 . 2]" 1
648 2 46 ARG H 2 46 ARG QB 3.430 . 3.430 2.589 2.438 2.713 . 0 0 "[ . 1 . 2]" 1
649 1 49 LYS H 1 49 LYS QB 3.500 . 3.500 2.561 2.286 2.802 . 0 0 "[ . 1 . 2]" 1
650 2 49 LYS H 2 49 LYS QB 3.500 . 3.500 2.586 2.366 2.844 . 0 0 "[ . 1 . 2]" 1
651 1 20 ARG H 1 20 ARG HG3 3.450 . 3.450 2.264 2.026 2.520 . 0 0 "[ . 1 . 2]" 1
652 2 20 ARG H 2 20 ARG HG3 3.450 . 3.450 2.247 2.115 2.429 . 0 0 "[ . 1 . 2]" 1
653 1 66 LEU H 1 66 LEU HB3 3.610 . 3.610 3.553 3.529 3.584 . 0 0 "[ . 1 . 2]" 1
654 2 66 LEU H 2 66 LEU HB3 3.610 . 3.610 3.555 3.529 3.582 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU QB 1 34 THR H 4.400 . 4.400 4.399 4.318 4.433 0.033 1 0 "[ . 1 . 2]" 1
656 2 32 LEU QB 2 34 THR H 4.400 . 4.400 4.406 4.348 4.443 0.043 11 0 "[ . 1 . 2]" 1
657 1 11 LYS H 1 11 LYS QD 5.080 . 5.080 4.225 1.520 5.009 . 0 0 "[ . 1 . 2]" 1
658 2 11 LYS H 2 11 LYS QD 5.080 . 5.080 4.436 3.444 4.858 . 0 0 "[ . 1 . 2]" 1
659 1 14 LYS H 1 14 LYS QD 5.470 . 5.470 4.448 3.029 4.789 . 0 0 "[ . 1 . 2]" 1
660 2 14 LYS H 2 14 LYS QD 5.470 . 5.470 4.512 4.228 4.724 . 0 0 "[ . 1 . 2]" 1
661 1 14 LYS QD 1 17 MET H 4.230 . 4.230 4.233 3.206 4.356 0.126 12 0 "[ . 1 . 2]" 1
662 2 14 LYS QD 2 17 MET H 4.230 . 4.230 4.231 3.703 4.410 0.180 4 0 "[ . 1 . 2]" 1
663 1 20 ARG H 1 20 ARG HG2 3.930 . 3.930 3.587 3.315 3.831 . 0 0 "[ . 1 . 2]" 1
664 2 20 ARG H 2 20 ARG HG2 3.930 . 3.930 3.573 3.406 3.766 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU QB 1 33 LYS H 3.540 . 3.540 2.209 2.030 2.338 . 0 0 "[ . 1 . 2]" 1
666 2 32 LEU QB 2 33 LYS H 3.540 . 3.540 2.163 2.009 2.351 . 0 0 "[ . 1 . 2]" 1
667 1 14 LYS QD 1 16 ILE H 4.330 . 4.330 4.080 3.311 4.346 0.016 11 0 "[ . 1 . 2]" 1
668 2 14 LYS QD 2 16 ILE H 4.330 . 4.330 4.005 3.237 4.396 0.066 8 0 "[ . 1 . 2]" 1
669 1 31 GLN H 1 32 LEU QB 4.890 . 4.890 4.045 3.788 4.187 . 0 0 "[ . 1 . 2]" 1
670 2 31 GLN H 2 32 LEU QB 4.890 . 4.890 4.085 3.812 4.220 . 0 0 "[ . 1 . 2]" 1
671 1 61 LYS H 1 61 LYS HG3 3.820 . 3.820 2.314 2.018 3.439 . 0 0 "[ . 1 . 2]" 1
672 2 61 LYS H 2 61 LYS HG3 3.820 . 3.820 2.197 2.049 2.380 . 0 0 "[ . 1 . 2]" 1
673 1 40 LEU H 1 40 LEU HG 3.860 . 3.860 3.331 2.227 3.958 0.098 5 0 "[ . 1 . 2]" 1
674 2 40 LEU H 2 40 LEU HG 3.860 . 3.860 3.431 2.339 3.899 0.039 14 0 "[ . 1 . 2]" 1
675 1 42 LYS H 1 42 LYS QD 4.050 . 4.050 3.734 2.013 4.102 0.052 18 0 "[ . 1 . 2]" 1
676 2 42 LYS H 2 42 LYS QD 4.050 . 4.050 3.912 3.378 4.147 0.097 14 0 "[ . 1 . 2]" 1
677 1 16 ILE HG12 1 17 MET H 4.000 . 4.000 3.697 3.546 3.780 . 0 0 "[ . 1 . 2]" 1
678 2 16 ILE HG12 2 17 MET H 4.000 . 4.000 3.710 3.622 3.818 . 0 0 "[ . 1 . 2]" 1
679 1 29 LEU HB2 1 30 SER H 3.880 . 3.880 3.506 3.341 3.611 . 0 0 "[ . 1 . 2]" 1
680 2 29 LEU HB2 2 30 SER H 3.880 . 3.880 3.540 3.444 3.655 . 0 0 "[ . 1 . 2]" 1
681 1 46 ARG QG 1 47 HIS H 3.560 . 3.560 2.627 1.859 3.015 . 0 0 "[ . 1 . 2]" 1
682 2 46 ARG QG 2 47 HIS H 3.560 . 3.560 2.663 1.867 3.328 . 0 0 "[ . 1 . 2]" 1
683 1 43 ASP H 1 46 ARG QG 4.330 . 4.330 3.230 2.875 3.608 . 0 0 "[ . 1 . 2]" 1
684 2 43 ASP H 2 46 ARG QG 4.330 . 4.330 3.188 2.728 3.658 . 0 0 "[ . 1 . 2]" 1
685 1 49 LYS H 1 50 LEU HB2 3.870 . 3.870 3.712 3.335 3.959 0.089 1 0 "[ . 1 . 2]" 1
686 2 49 LYS H 2 50 LEU HB2 3.870 . 3.870 3.801 3.397 3.917 0.047 5 0 "[ . 1 . 2]" 1
687 1 41 LYS QG 1 42 LYS H 4.610 . 4.610 4.289 3.790 4.628 0.018 1 0 "[ . 1 . 2]" 1
688 2 41 LYS QG 2 42 LYS H 4.610 . 4.610 4.349 4.093 4.645 0.035 13 0 "[ . 1 . 2]" 1
689 1 40 LEU H 1 41 LYS QG 3.940 . 3.940 3.763 3.366 3.973 0.033 3 0 "[ . 1 . 2]" 1
690 2 40 LEU H 2 41 LYS QG 3.940 . 3.940 3.828 3.527 3.989 0.049 11 0 "[ . 1 . 2]" 1
691 1 14 LYS H 1 14 LYS HG2 3.480 . 3.480 2.971 2.570 3.587 0.107 6 0 "[ . 1 . 2]" 1
692 2 14 LYS H 2 14 LYS HG2 3.480 . 3.480 2.991 2.544 3.712 0.232 17 0 "[ . 1 . 2]" 1
693 1 50 LEU H 1 50 LEU HB2 3.460 . 3.460 2.319 2.059 2.821 . 0 0 "[ . 1 . 2]" 1
694 2 50 LEU H 2 50 LEU HB2 3.460 . 3.460 2.350 2.099 2.671 . 0 0 "[ . 1 . 2]" 1
695 1 61 LYS H 1 61 LYS HG2 4.170 . 4.170 2.998 1.903 3.234 . 0 0 "[ . 1 . 2]" 1
696 2 61 LYS H 2 61 LYS HG2 4.170 . 4.170 3.039 2.864 3.177 . 0 0 "[ . 1 . 2]" 1
697 1 37 LEU H 1 37 LEU HB2 3.710 . 3.710 2.230 2.034 2.399 . 0 0 "[ . 1 . 2]" 1
698 2 37 LEU H 2 37 LEU HB2 3.710 . 3.710 2.248 2.192 2.297 . 0 0 "[ . 1 . 2]" 1
699 1 37 LEU HB2 1 38 ASP H 3.820 . 3.820 3.694 3.307 3.866 0.046 17 0 "[ . 1 . 2]" 1
700 2 37 LEU HB2 2 38 ASP H 3.820 . 3.820 3.686 3.298 3.861 0.041 5 0 "[ . 1 . 2]" 1
701 1 40 LEU H 1 42 LYS QG 4.910 . 4.910 4.552 3.992 5.019 0.109 13 0 "[ . 1 . 2]" 1
702 2 40 LEU H 2 42 LYS QG 4.910 . 4.910 4.650 4.198 4.992 0.082 15 0 "[ . 1 . 2]" 1
703 1 53 ALA MB 2 24 ARG H 4.390 . 4.390 3.989 3.651 4.310 . 0 0 "[ . 1 . 2]" 1
704 1 24 ARG H 2 53 ALA MB 4.390 . 4.390 4.038 3.657 4.310 . 0 0 "[ . 1 . 2]" 1
705 1 16 ILE HG13 1 17 MET H 4.910 . 4.910 4.694 4.600 4.742 . 0 0 "[ . 1 . 2]" 1
706 2 16 ILE HG13 2 17 MET H 4.910 . 4.910 4.699 4.634 4.777 . 0 0 "[ . 1 . 2]" 1
707 1 33 LYS H 1 59 THR MG 5.280 . 5.280 5.368 5.317 5.462 0.182 2 0 "[ . 1 . 2]" 1
708 2 33 LYS H 2 59 THR MG 5.280 . 5.280 5.365 5.301 5.443 0.163 10 0 "[ . 1 . 2]" 1
709 1 60 VAL H 1 60 VAL MG1 3.810 . 3.810 3.779 3.736 3.802 . 0 0 "[ . 1 . 2]" 1
710 2 60 VAL H 2 60 VAL MG1 3.810 . 3.810 3.773 3.721 3.789 . 0 0 "[ . 1 . 2]" 1
711 1 65 ASN HB3 1 65 ASN HD21 3.360 . 3.360 2.847 2.781 2.914 . 0 0 "[ . 1 . 2]" 1
712 2 65 ASN HB3 2 65 ASN HD21 3.360 . 3.360 2.848 2.780 2.921 . 0 0 "[ . 1 . 2]" 1
713 1 40 LEU H 1 41 LYS QE 4.520 . 4.520 4.087 3.871 4.551 0.031 14 0 "[ . 1 . 2]" 1
714 2 40 LEU H 2 41 LYS QE 4.520 . 4.520 4.111 3.892 4.406 . 0 0 "[ . 1 . 2]" 1
715 1 19 LYS H 1 19 LYS QE 4.520 . 4.520 4.242 3.681 4.423 . 0 0 "[ . 1 . 2]" 1
716 2 19 LYS H 2 19 LYS QE 4.520 . 4.520 4.156 3.610 4.555 0.035 14 0 "[ . 1 . 2]" 1
717 1 42 LYS H 1 42 LYS QE 4.690 . 4.690 4.484 3.334 4.856 0.166 1 0 "[ . 1 . 2]" 1
718 2 42 LYS H 2 42 LYS QE 4.690 . 4.690 4.607 3.515 4.887 0.197 4 0 "[ . 1 . 2]" 1
719 1 26 ASN H 1 26 ASN HB3 3.910 . 3.910 3.630 3.571 3.678 . 0 0 "[ . 1 . 2]" 1
720 2 26 ASN H 2 26 ASN HB3 3.910 . 3.910 3.661 3.588 3.713 . 0 0 "[ . 1 . 2]" 1
721 1 26 ASN H 1 26 ASN HB2 3.840 . 3.840 2.521 2.478 2.575 . 0 0 "[ . 1 . 2]" 1
722 2 26 ASN H 2 26 ASN HB2 3.840 . 3.840 2.533 2.406 2.657 . 0 0 "[ . 1 . 2]" 1
723 1 26 ASN HB2 1 27 GLU H 4.250 . 4.250 2.502 2.420 2.617 . 0 0 "[ . 1 . 2]" 1
724 2 26 ASN HB2 2 27 GLU H 4.250 . 4.250 2.565 2.388 2.676 . 0 0 "[ . 1 . 2]" 1
725 1 43 ASP HB3 1 46 ARG H 4.170 . 4.170 2.453 2.020 3.187 . 0 0 "[ . 1 . 2]" 1
726 2 43 ASP HB3 2 46 ARG H 4.170 . 4.170 2.497 1.957 3.109 . 0 0 "[ . 1 . 2]" 1
727 1 17 MET H 1 17 MET HG2 3.600 . 3.600 2.271 2.153 2.357 . 0 0 "[ . 1 . 2]" 1
728 2 17 MET H 2 17 MET HG2 3.600 . 3.600 2.255 2.119 2.387 . 0 0 "[ . 1 . 2]" 1
729 1 66 LEU H 1 67 GLN HG2 5.250 . 5.250 4.916 4.558 5.276 0.026 15 0 "[ . 1 . 2]" 1
730 2 66 LEU H 2 67 GLN HG2 5.250 . 5.250 4.898 4.595 5.267 0.017 8 0 "[ . 1 . 2]" 1
731 1 31 GLN H 1 31 GLN HG3 4.040 . 4.040 3.391 3.264 3.509 . 0 0 "[ . 1 . 2]" 1
732 2 31 GLN H 2 31 GLN HG3 4.040 . 4.040 3.381 3.144 3.494 . 0 0 "[ . 1 . 2]" 1
733 1 31 GLN H 1 31 GLN QB 3.430 . 3.430 2.572 2.517 2.614 . 0 0 "[ . 1 . 2]" 1
734 2 31 GLN H 2 31 GLN QB 3.430 . 3.430 2.575 2.528 2.645 . 0 0 "[ . 1 . 2]" 1
735 1 57 GLU HG3 1 61 LYS H 4.410 . 4.410 4.328 4.040 4.448 0.038 11 0 "[ . 1 . 2]" 1
736 2 57 GLU HG3 2 61 LYS H 4.410 . 4.410 4.368 4.191 4.463 0.053 10 0 "[ . 1 . 2]" 1
737 1 16 ILE H 1 18 GLU QG 4.970 . 4.970 4.287 4.052 4.467 . 0 0 "[ . 1 . 2]" 1
738 2 16 ILE H 2 18 GLU QG 4.970 . 4.970 4.268 3.973 4.704 . 0 0 "[ . 1 . 2]" 1
739 1 27 GLU H 1 27 GLU HB3 3.760 . 3.760 3.584 2.541 3.689 . 0 0 "[ . 1 . 2]" 1
740 2 27 GLU H 2 27 GLU HB3 3.760 . 3.760 3.625 3.587 3.665 . 0 0 "[ . 1 . 2]" 1
741 1 27 GLU HB3 1 28 SER H 3.910 . 3.910 3.754 3.492 3.952 0.042 15 0 "[ . 1 . 2]" 1
742 2 27 GLU HB3 2 28 SER H 3.910 . 3.910 3.761 3.514 3.962 0.052 13 0 "[ . 1 . 2]" 1
743 1 60 VAL HB 1 61 LYS H 3.670 . 3.670 2.403 2.204 2.519 . 0 0 "[ . 1 . 2]" 1
744 2 60 VAL HB 2 61 LYS H 3.670 . 3.670 2.451 2.183 2.555 . 0 0 "[ . 1 . 2]" 1
745 1 67 GLN H 1 67 GLN HB3 3.630 . 3.630 3.558 3.485 3.627 . 0 0 "[ . 1 . 2]" 1
746 2 67 GLN H 2 67 GLN HB3 3.630 . 3.630 3.555 3.493 3.596 . 0 0 "[ . 1 . 2]" 1
747 1 67 GLN HB3 1 67 GLN HE22 4.350 . 4.350 4.350 3.646 4.467 0.117 2 0 "[ . 1 . 2]" 1
748 2 67 GLN HB3 2 67 GLN HE22 4.350 . 4.350 4.358 3.737 4.453 0.103 14 0 "[ . 1 . 2]" 1
749 1 17 MET H 1 17 MET HB2 3.530 . 3.530 2.490 2.422 2.621 . 0 0 "[ . 1 . 2]" 1
750 2 17 MET H 2 17 MET HB2 3.530 . 3.530 2.497 2.408 2.582 . 0 0 "[ . 1 . 2]" 1
751 1 67 GLN HB2 1 68 ARG H 3.830 . 3.830 3.172 2.889 3.531 . 0 0 "[ . 1 . 2]" 1
752 2 67 GLN HB2 2 68 ARG H 3.830 . 3.830 3.265 2.889 3.493 . 0 0 "[ . 1 . 2]" 1
753 1 67 GLN H 1 67 GLN HB2 3.520 . 3.520 2.276 2.188 2.400 . 0 0 "[ . 1 . 2]" 1
754 2 67 GLN H 2 67 GLN HB2 3.520 . 3.520 2.270 2.167 2.330 . 0 0 "[ . 1 . 2]" 1
755 1 27 GLU HB2 1 28 SER H 3.910 . 3.910 2.821 2.493 3.844 . 0 0 "[ . 1 . 2]" 1
756 2 27 GLU HB2 2 28 SER H 3.910 . 3.910 2.778 2.444 3.029 . 0 0 "[ . 1 . 2]" 1
757 1 68 ARG QD 1 70 GLN H 4.780 . 4.780 4.500 2.278 4.864 0.084 11 0 "[ . 1 . 2]" 1
758 2 68 ARG QD 2 70 GLN H 4.780 . 4.780 4.650 4.278 4.865 0.085 17 0 "[ . 1 . 2]" 1
759 1 68 ARG H 1 68 ARG QD 4.240 . 4.240 3.326 2.007 3.906 . 0 0 "[ . 1 . 2]" 1
760 2 68 ARG H 2 68 ARG QD 4.240 . 4.240 3.142 1.804 3.762 . 0 0 "[ . 1 . 2]" 1
761 1 17 MET H 1 20 ARG QD 4.740 . 4.740 4.317 4.129 4.559 . 0 0 "[ . 1 . 2]" 1
762 2 17 MET H 2 20 ARG QD 4.740 . 4.740 4.288 4.132 4.427 . 0 0 "[ . 1 . 2]" 1
763 1 46 ARG H 1 46 ARG QD 4.080 . 4.080 3.982 3.638 4.174 0.094 10 0 "[ . 1 . 2]" 1
764 2 46 ARG H 2 46 ARG QD 4.080 . 4.080 3.951 3.708 4.126 0.046 6 0 "[ . 1 . 2]" 1
765 1 61 LYS H 1 64 ARG QD 5.500 . 5.500 4.965 4.305 5.364 . 0 0 "[ . 1 . 2]" 1
766 2 61 LYS H 2 64 ARG QD 5.500 . 5.500 4.840 4.151 5.425 . 0 0 "[ . 1 . 2]" 1
767 1 47 HIS HA 1 49 LYS H 4.280 . 4.280 3.618 3.065 4.089 . 0 0 "[ . 1 . 2]" 1
768 2 47 HIS HA 2 49 LYS H 4.280 . 4.280 3.626 3.343 3.890 . 0 0 "[ . 1 . 2]" 1
769 1 47 HIS HA 1 50 LEU H 5.500 . 5.500 4.008 3.413 5.054 . 0 0 "[ . 1 . 2]" 1
770 2 47 HIS HA 2 50 LEU H 5.500 . 5.500 4.260 3.172 5.511 0.011 15 0 "[ . 1 . 2]" 1
771 1 43 ASP HA 1 47 HIS H 5.500 . 5.500 5.455 5.313 5.558 0.058 18 0 "[ . 1 . 2]" 1
772 2 43 ASP HA 2 47 HIS H 5.500 . 5.500 5.486 5.185 5.556 0.056 8 0 "[ . 1 . 2]" 1
773 1 38 ASP HA 1 41 LYS H 4.310 . 4.310 3.682 3.109 3.974 . 0 0 "[ . 1 . 2]" 1
774 2 38 ASP HA 2 41 LYS H 4.310 . 4.310 3.683 3.318 4.020 . 0 0 "[ . 1 . 2]" 1
775 1 26 ASN HA 1 26 ASN HD21 4.740 . 4.740 4.159 3.797 4.479 . 0 0 "[ . 1 . 2]" 1
776 2 26 ASN HA 2 26 ASN HD21 4.740 . 4.740 3.937 3.701 4.431 . 0 0 "[ . 1 . 2]" 1
777 1 15 PRO HA 1 18 GLU H 4.090 . 4.090 3.816 3.599 4.141 0.051 6 0 "[ . 1 . 2]" 1
778 2 15 PRO HA 2 18 GLU H 4.090 . 4.090 3.783 3.585 4.005 . 0 0 "[ . 1 . 2]" 1
779 1 26 ASN HA 1 28 SER H 4.580 . 4.580 4.370 4.226 4.561 . 0 0 "[ . 1 . 2]" 1
780 2 26 ASN HA 2 28 SER H 4.580 . 4.580 4.395 4.242 4.518 . 0 0 "[ . 1 . 2]" 1
781 1 17 MET HA 1 20 ARG H 3.700 . 3.700 3.505 3.277 3.700 . 0 0 "[ . 1 . 2]" 1
782 2 17 MET HA 2 20 ARG H 3.700 . 3.700 3.475 3.335 3.682 . 0 0 "[ . 1 . 2]" 1
783 1 17 MET HA 1 19 LYS H 4.390 . 4.390 4.122 4.023 4.243 . 0 0 "[ . 1 . 2]" 1
784 2 17 MET HA 2 19 LYS H 4.390 . 4.390 4.132 4.051 4.210 . 0 0 "[ . 1 . 2]" 1
785 1 69 ALA HA 1 70 GLN H 3.470 . 3.470 3.211 2.713 3.454 . 0 0 "[ . 1 . 2]" 1
786 2 69 ALA HA 2 70 GLN H 3.470 . 3.470 3.201 2.789 3.428 . 0 0 "[ . 1 . 2]" 1
787 1 68 ARG H 1 69 ALA HA 4.820 . 4.820 4.689 3.876 4.886 0.066 17 0 "[ . 1 . 2]" 1
788 2 68 ARG H 2 69 ALA HA 4.820 . 4.820 4.676 4.455 4.866 0.046 3 0 "[ . 1 . 2]" 1
789 1 48 SER HA 1 49 LYS H 3.090 . 3.090 3.163 3.071 3.315 0.225 8 0 "[ . 1 . 2]" 1
790 2 48 SER HA 2 49 LYS H 3.090 . 3.090 3.161 3.100 3.276 0.186 2 0 "[ . 1 . 2]" 1
791 1 44 SER HA 1 45 SER H 3.550 . 3.550 3.429 3.334 3.514 . 0 0 "[ . 1 . 2]" 1
792 2 44 SER HA 2 45 SER H 3.550 . 3.550 3.425 3.334 3.488 . 0 0 "[ . 1 . 2]" 1
793 1 18 GLU HA 1 22 ARG H 4.650 . 4.650 3.684 3.468 3.872 . 0 0 "[ . 1 . 2]" 1
794 2 18 GLU HA 2 22 ARG H 4.650 . 4.650 3.701 3.319 3.975 . 0 0 "[ . 1 . 2]" 1
795 1 67 GLN HA 1 68 ARG H 3.450 . 3.450 3.431 3.352 3.487 0.037 1 0 "[ . 1 . 2]" 1
796 2 67 GLN HA 2 68 ARG H 3.450 . 3.450 3.410 3.298 3.556 0.106 2 0 "[ . 1 . 2]" 1
797 1 67 GLN HA 1 67 GLN HE22 4.550 . 4.550 4.223 3.967 4.604 0.054 15 0 "[ . 1 . 2]" 1
798 2 67 GLN HA 2 67 GLN HE22 4.550 . 4.550 4.132 3.349 4.563 0.013 8 0 "[ . 1 . 2]" 1
799 1 31 GLN HA 1 34 THR H 4.160 . 4.160 3.256 3.052 3.433 . 0 0 "[ . 1 . 2]" 1
800 2 31 GLN HA 2 34 THR H 4.160 . 4.160 3.257 3.009 3.486 . 0 0 "[ . 1 . 2]" 1
801 1 66 LEU HA 1 69 ALA H 4.430 . 4.430 3.479 3.000 3.755 . 0 0 "[ . 1 . 2]" 1
802 2 66 LEU HA 2 69 ALA H 4.430 . 4.430 3.532 3.135 3.936 . 0 0 "[ . 1 . 2]" 1
803 1 41 LYS HA 1 43 ASP H 4.490 . 4.490 4.302 3.944 4.528 0.038 4 0 "[ . 1 . 2]" 1
804 2 41 LYS HA 2 43 ASP H 4.490 . 4.490 4.282 3.893 4.561 0.071 9 0 "[ . 1 . 2]" 1
805 1 16 ILE HA 1 18 GLU H 4.520 . 4.520 4.516 4.283 4.559 0.039 10 0 "[ . 1 . 2]" 1
806 2 16 ILE HA 2 18 GLU H 4.520 . 4.520 4.497 4.392 4.570 0.050 19 0 "[ . 1 . 2]" 1
807 1 16 ILE HA 1 19 LYS H 4.190 . 4.190 3.480 3.288 3.673 . 0 0 "[ . 1 . 2]" 1
808 2 16 ILE HA 2 19 LYS H 4.190 . 4.190 3.524 3.320 3.772 . 0 0 "[ . 1 . 2]" 1
809 1 22 ARG HA 1 25 ILE H 4.730 . 4.730 3.277 2.960 3.564 . 0 0 "[ . 1 . 2]" 1
810 2 22 ARG HA 2 25 ILE H 4.730 . 4.730 3.351 2.695 3.605 . 0 0 "[ . 1 . 2]" 1
811 1 57 GLU HA 1 60 VAL H 3.950 . 3.950 3.295 2.948 3.639 . 0 0 "[ . 1 . 2]" 1
812 2 57 GLU HA 2 60 VAL H 3.950 . 3.950 3.287 3.018 3.403 . 0 0 "[ . 1 . 2]" 1
813 1 36 ILE HA 1 39 ALA H 3.840 . 3.840 3.493 3.228 3.679 . 0 0 "[ . 1 . 2]" 1
814 2 36 ILE HA 2 39 ALA H 3.840 . 3.840 3.456 3.163 3.804 . 0 0 "[ . 1 . 2]" 1
815 1 37 LEU HA 1 41 LYS H 4.190 . 4.190 3.455 2.733 4.222 0.032 14 0 "[ . 1 . 2]" 1
816 2 37 LEU HA 2 41 LYS H 4.190 . 4.190 3.472 2.809 3.966 . 0 0 "[ . 1 . 2]" 1
817 1 57 GLU HA 1 61 LYS H 4.740 . 4.740 3.820 3.675 3.985 . 0 0 "[ . 1 . 2]" 1
818 2 57 GLU HA 2 61 LYS H 4.740 . 4.740 3.845 3.738 3.951 . 0 0 "[ . 1 . 2]" 1
819 1 37 LEU HA 1 40 LEU H 4.550 . 4.550 3.706 3.179 4.105 . 0 0 "[ . 1 . 2]" 1
820 2 37 LEU HA 2 40 LEU H 4.550 . 4.550 3.614 3.094 4.026 . 0 0 "[ . 1 . 2]" 1
821 1 12 SER H 1 12 SER HB3 4.170 . 4.170 3.292 2.663 4.060 . 0 0 "[ . 1 . 2]" 1
822 2 12 SER H 2 12 SER HB3 4.170 . 4.170 3.487 2.587 4.075 . 0 0 "[ . 1 . 2]" 1
823 1 12 SER H 1 12 SER HB2 4.170 . 4.170 3.127 2.264 3.779 . 0 0 "[ . 1 . 2]" 1
824 2 12 SER H 2 12 SER HB2 4.170 . 4.170 3.145 2.348 3.805 . 0 0 "[ . 1 . 2]" 1
825 1 15 PRO HD2 1 16 ILE H 4.470 . 4.470 2.692 2.022 3.079 . 0 0 "[ . 1 . 2]" 1
826 2 15 PRO HD2 2 16 ILE H 4.470 . 4.470 2.799 2.312 3.279 . 0 0 "[ . 1 . 2]" 1
827 1 68 ARG H 1 70 GLN HE22 5.270 . 5.270 4.963 4.133 5.532 0.262 11 0 "[ . 1 . 2]" 1
828 2 68 ARG H 2 70 GLN HE22 5.270 . 5.270 4.868 3.579 5.501 0.231 4 0 "[ . 1 . 2]" 1
829 1 33 LYS H 1 34 THR H 4.230 . 4.230 2.713 2.634 2.828 . 0 0 "[ . 1 . 2]" 1
830 2 33 LYS H 2 34 THR H 4.230 . 4.230 2.753 2.624 2.869 . 0 0 "[ . 1 . 2]" 1
831 1 40 LEU H 1 41 LYS H 3.480 . 3.480 2.157 1.973 2.312 . 0 0 "[ . 1 . 2]" 1
832 2 40 LEU H 2 41 LYS H 3.480 . 3.480 2.171 2.017 2.294 . 0 0 "[ . 1 . 2]" 1
833 1 67 GLN H 1 68 ARG H 3.820 . 3.820 2.603 2.359 2.803 . 0 0 "[ . 1 . 2]" 1
834 2 67 GLN H 2 68 ARG H 3.820 . 3.820 2.592 2.416 2.832 . 0 0 "[ . 1 . 2]" 1
835 1 67 GLN H 1 69 ALA H 4.260 . 4.260 4.000 3.747 4.267 0.007 1 0 "[ . 1 . 2]" 1
836 2 67 GLN H 2 69 ALA H 4.260 . 4.260 4.013 3.815 4.256 . 0 0 "[ . 1 . 2]" 1
837 1 65 ASN H 1 67 GLN H 4.000 . 4.000 3.952 3.861 4.023 0.023 4 0 "[ . 1 . 2]" 1
838 2 65 ASN H 2 67 GLN H 4.000 . 4.000 3.934 3.847 4.006 0.006 12 0 "[ . 1 . 2]" 1
839 1 70 GLN H 1 70 GLN HE21 4.200 . 4.200 2.746 2.091 3.801 . 0 0 "[ . 1 . 2]" 1
840 2 70 GLN H 2 70 GLN HE21 4.200 . 4.200 2.605 1.737 3.547 . 0 0 "[ . 1 . 2]" 1
841 1 68 ARG H 1 70 GLN HE21 4.450 . 4.450 4.254 3.853 4.528 0.078 9 0 "[ . 1 . 2]" 1
842 2 68 ARG H 2 70 GLN HE21 4.450 . 4.450 4.170 3.729 4.557 0.107 8 0 "[ . 1 . 2]" 1
843 1 19 LYS H 1 20 ARG H 2.970 . 2.970 2.450 2.361 2.645 . 0 0 "[ . 1 . 2]" 1
844 2 19 LYS H 2 20 ARG H 2.970 . 2.970 2.482 2.385 2.559 . 0 0 "[ . 1 . 2]" 1
845 1 23 ALA H 1 24 ARG H 3.500 . 3.500 2.716 2.594 2.859 . 0 0 "[ . 1 . 2]" 1
846 2 23 ALA H 2 24 ARG H 3.500 . 3.500 2.760 2.626 2.870 . 0 0 "[ . 1 . 2]" 1
847 1 59 THR H 1 60 VAL H 4.140 . 4.140 2.620 2.472 2.818 . 0 0 "[ . 1 . 2]" 1
848 2 59 THR H 2 60 VAL H 4.140 . 4.140 2.608 2.456 2.778 . 0 0 "[ . 1 . 2]" 1
849 1 25 ILE H 1 26 ASN H 3.910 . 3.910 2.798 2.718 2.901 . 0 0 "[ . 1 . 2]" 1
850 2 25 ILE H 2 26 ASN H 3.910 . 3.910 2.778 2.643 2.864 . 0 0 "[ . 1 . 2]" 1
851 1 63 LEU H 1 65 ASN H 4.310 . 4.310 3.965 3.774 4.157 . 0 0 "[ . 1 . 2]" 1
852 2 63 LEU H 2 65 ASN H 4.310 . 4.310 4.013 3.781 4.222 . 0 0 "[ . 1 . 2]" 1
853 1 48 SER H 1 49 LYS H 4.180 . 4.180 2.501 2.032 3.368 . 0 0 "[ . 1 . 2]" 1
854 2 48 SER H 2 49 LYS H 4.180 . 4.180 2.521 2.213 2.969 . 0 0 "[ . 1 . 2]" 1
855 1 43 ASP H 1 46 ARG H 5.070 . 5.070 4.873 4.553 5.153 0.083 7 0 "[ . 1 . 2]" 1
856 2 43 ASP H 2 46 ARG H 5.070 . 5.070 4.852 4.509 5.130 0.060 17 0 "[ . 1 . 2]" 1
857 1 17 MET H 1 19 LYS H 3.990 . 3.990 3.851 3.784 3.925 . 0 0 "[ . 1 . 2]" 1
858 2 17 MET H 2 19 LYS H 3.990 . 3.990 3.877 3.752 3.996 0.006 3 0 "[ . 1 . 2]" 1
859 1 25 ILE H 1 27 GLU H 4.320 . 4.320 4.127 4.029 4.308 . 0 0 "[ . 1 . 2]" 1
860 2 25 ILE H 2 27 GLU H 4.320 . 4.320 4.098 3.973 4.265 . 0 0 "[ . 1 . 2]" 1
861 1 43 ASP H 1 44 SER H 4.390 . 4.390 4.076 3.830 4.225 . 0 0 "[ . 1 . 2]" 1
862 2 43 ASP H 2 44 SER H 4.390 . 4.390 4.094 4.036 4.204 . 0 0 "[ . 1 . 2]" 1
863 1 30 SER H 1 32 LEU H 4.770 . 4.770 3.898 3.794 4.010 . 0 0 "[ . 1 . 2]" 1
864 2 30 SER H 2 32 LEU H 4.770 . 4.770 3.898 3.791 4.007 . 0 0 "[ . 1 . 2]" 1
865 1 50 LEU H 1 51 GLU H 4.580 . 4.580 4.219 3.912 4.379 . 0 0 "[ . 1 . 2]" 1
866 2 50 LEU H 2 51 GLU H 4.580 . 4.580 4.203 3.964 4.417 . 0 0 "[ . 1 . 2]" 1
867 1 50 LEU HA 1 54 ASP H 5.500 . 5.500 5.305 4.836 5.558 0.058 8 0 "[ . 1 . 2]" 1
868 2 50 LEU HA 2 54 ASP H 5.500 . 5.500 5.211 4.854 5.614 0.114 3 0 "[ . 1 . 2]" 1
869 1 26 ASN HB3 1 26 ASN HD22 4.090 . 4.090 3.901 3.753 4.058 . 0 0 "[ . 1 . 2]" 1
870 2 26 ASN HB3 2 26 ASN HD22 4.090 . 4.090 4.019 3.782 4.065 . 0 0 "[ . 1 . 2]" 1
871 1 67 GLN HB3 1 67 GLN HE21 4.730 . 4.730 4.106 3.023 4.346 . 0 0 "[ . 1 . 2]" 1
872 2 67 GLN HB3 2 67 GLN HE21 4.730 . 4.730 4.111 3.128 4.346 . 0 0 "[ . 1 . 2]" 1
873 1 25 ILE HB 1 26 ASN HD22 4.620 . 4.620 4.294 3.862 4.590 . 0 0 "[ . 1 . 2]" 1
874 2 25 ILE HB 2 26 ASN HD22 4.620 . 4.620 4.057 3.852 4.517 . 0 0 "[ . 1 . 2]" 1
875 1 52 LYS HG2 1 54 ASP H 5.500 . 5.500 5.332 5.050 5.531 0.031 9 0 "[ . 1 . 2]" 1
876 2 52 LYS HG2 2 54 ASP H 5.500 . 5.500 5.325 5.098 5.576 0.076 3 0 "[ . 1 . 2]" 1
877 1 66 LEU HG 2 67 GLN HE21 5.040 . 5.040 4.275 3.499 5.071 0.031 20 0 "[ . 1 . 2]" 1
878 1 67 GLN HE21 2 66 LEU HG 5.040 . 5.040 4.361 3.703 5.059 0.019 17 0 "[ . 1 . 2]" 1
879 1 52 LYS HG3 1 54 ASP H 5.500 . 5.500 5.553 5.472 5.614 0.114 6 0 "[ . 1 . 2]" 1
880 2 52 LYS HG3 2 54 ASP H 5.500 . 5.500 5.553 5.414 5.604 0.104 16 0 "[ . 1 . 2]" 1
881 1 60 VAL MG2 2 31 GLN HE21 5.190 . 5.190 4.868 3.974 5.154 . 0 0 "[ . 1 . 2]" 1
882 1 31 GLN HE21 2 60 VAL MG2 5.190 . 5.190 4.917 4.327 5.190 . 0 0 "[ . 1 . 2]" 1
883 1 66 LEU MD2 2 67 GLN HE21 4.760 . 4.760 2.522 1.733 3.575 . 0 0 "[ . 1 . 2]" 1
884 1 67 GLN HE21 2 66 LEU MD2 4.760 . 4.760 2.620 1.947 3.691 . 0 0 "[ . 1 . 2]" 1
885 1 14 LYS HA 1 17 MET H 4.660 . 4.660 4.362 4.240 4.530 . 0 0 "[ . 1 . 2]" 1
886 2 14 LYS HA 2 17 MET H 4.660 . 4.660 4.382 4.193 4.630 . 0 0 "[ . 1 . 2]" 1
887 1 14 LYS HA 1 16 ILE H 4.690 . 4.690 3.886 3.595 4.143 . 0 0 "[ . 1 . 2]" 1
888 2 14 LYS HA 2 16 ILE H 4.690 . 4.690 3.913 3.630 4.440 . 0 0 "[ . 1 . 2]" 1
889 1 65 ASN HA 1 69 ALA H 5.130 . 5.130 4.803 3.768 5.110 . 0 0 "[ . 1 . 2]" 1
890 2 65 ASN HA 2 69 ALA H 5.130 . 5.130 4.821 3.742 5.110 . 0 0 "[ . 1 . 2]" 1
891 1 43 ASP HA 1 44 SER QB 4.250 . 4.250 4.195 3.874 4.332 0.082 16 0 "[ . 1 . 2]" 1
892 2 43 ASP HA 2 44 SER QB 4.250 . 4.250 4.258 3.979 4.322 0.072 14 0 "[ . 1 . 2]" 1
893 1 14 LYS HA 1 17 MET HG2 5.300 . 5.300 4.942 4.549 5.252 . 0 0 "[ . 1 . 2]" 1
894 2 14 LYS HA 2 17 MET HG2 5.300 . 5.300 4.996 4.769 5.310 0.010 9 0 "[ . 1 . 2]" 1
895 1 14 LYS HA 1 17 MET HB2 4.950 . 4.950 4.696 4.502 4.945 . 0 0 "[ . 1 . 2]" 1
896 2 14 LYS HA 2 17 MET HB2 4.950 . 4.950 4.722 4.549 4.953 0.003 17 0 "[ . 1 . 2]" 1
897 1 14 LYS HA 1 15 PRO HG3 4.620 . 4.620 4.310 3.970 4.500 . 0 0 "[ . 1 . 2]" 1
898 2 14 LYS HA 2 15 PRO HG3 4.620 . 4.620 4.317 4.083 4.528 . 0 0 "[ . 1 . 2]" 1
899 1 14 LYS HA 1 15 PRO HG2 4.620 . 4.620 4.203 4.055 4.355 . 0 0 "[ . 1 . 2]" 1
900 2 14 LYS HA 2 15 PRO HG2 4.620 . 4.620 4.198 4.103 4.301 . 0 0 "[ . 1 . 2]" 1
901 1 11 LYS QG 1 12 SER HA 4.470 . 4.470 4.138 3.514 4.531 0.061 8 0 "[ . 1 . 2]" 1
902 2 11 LYS QG 2 12 SER HA 4.470 . 4.470 4.245 3.443 4.573 0.103 10 0 "[ . 1 . 2]" 1
903 1 38 ASP HA 1 41 LYS QG 4.600 . 4.600 2.699 2.237 3.475 . 0 0 "[ . 1 . 2]" 1
904 2 38 ASP HA 2 41 LYS QG 4.600 . 4.600 2.753 2.374 3.468 . 0 0 "[ . 1 . 2]" 1
905 1 38 ASP HA 1 39 ALA MB 5.010 . 5.010 4.975 4.895 5.026 0.016 8 0 "[ . 1 . 2]" 1
906 2 38 ASP HA 2 39 ALA MB 5.010 . 5.010 4.972 4.939 5.008 . 0 0 "[ . 1 . 2]" 1
907 1 36 ILE MD 1 59 THR HB 4.670 . 4.670 4.167 4.042 4.275 . 0 0 "[ . 1 . 2]" 1
908 2 36 ILE MD 2 59 THR HB 4.670 . 4.670 4.160 4.035 4.299 . 0 0 "[ . 1 . 2]" 1
909 1 57 GLU HA 1 60 VAL MG1 4.120 . 4.120 4.001 3.558 4.144 0.024 16 0 "[ . 1 . 2]" 1
910 2 57 GLU HA 2 60 VAL MG1 4.120 . 4.120 4.050 3.945 4.143 0.023 14 0 "[ . 1 . 2]" 1
911 1 52 LYS HA 1 55 ILE QG 4.440 . 4.440 3.493 3.226 3.927 . 0 0 "[ . 1 . 2]" 1
912 2 52 LYS HA 2 55 ILE QG 4.440 . 4.440 3.520 3.237 3.825 . 0 0 "[ . 1 . 2]" 1
913 1 16 ILE HA 1 16 ILE MG 3.270 . 3.270 3.238 3.221 3.244 . 0 0 "[ . 1 . 2]" 1
914 2 16 ILE HA 2 16 ILE MG 3.270 . 3.270 3.239 3.232 3.255 . 0 0 "[ . 1 . 2]" 1
915 1 50 LEU HA 1 55 ILE MD 4.170 . 4.170 4.184 3.961 4.295 0.125 6 0 "[ . 1 . 2]" 1
916 2 50 LEU HA 2 55 ILE MD 4.170 . 4.170 4.187 4.052 4.309 0.139 6 0 "[ . 1 . 2]" 1
917 1 66 LEU MD1 2 67 GLN HA 4.750 . 4.750 3.605 3.269 3.997 . 0 0 "[ . 1 . 2]" 1
918 1 67 GLN HA 2 66 LEU MD1 4.750 . 4.750 3.500 3.046 3.822 . 0 0 "[ . 1 . 2]" 1
919 1 37 LEU MD2 1 41 LYS HA 4.940 . 4.940 4.358 3.574 4.999 0.059 10 0 "[ . 1 . 2]" 1
920 2 37 LEU MD2 2 41 LYS HA 4.940 . 4.940 4.416 2.370 5.034 0.094 2 0 "[ . 1 . 2]" 1
921 1 29 LEU HB3 1 30 SER QB 4.270 . 4.270 4.071 3.770 4.329 0.059 5 0 "[ . 1 . 2]" 1
922 2 29 LEU HB3 2 30 SER QB 4.270 . 4.270 4.006 3.877 4.311 0.041 18 0 "[ . 1 . 2]" 1
923 1 20 ARG QB 1 20 ARG QD 3.250 . 3.250 2.241 2.084 2.350 . 0 0 "[ . 1 . 2]" 1
924 2 20 ARG QB 2 20 ARG QD 3.250 . 3.250 2.233 2.070 2.339 . 0 0 "[ . 1 . 2]" 1
925 1 68 ARG HA 1 68 ARG QG 3.450 . 3.450 3.411 3.312 3.479 0.029 9 0 "[ . 1 . 2]" 1
926 2 68 ARG HA 2 68 ARG QG 3.450 . 3.450 3.415 3.292 3.485 0.035 14 0 "[ . 1 . 2]" 1
927 1 20 ARG HA 1 20 ARG HG3 3.190 . 3.190 2.913 2.636 3.089 . 0 0 "[ . 1 . 2]" 1
928 2 20 ARG HA 2 20 ARG HG3 3.190 . 3.190 2.911 2.773 3.040 . 0 0 "[ . 1 . 2]" 1
929 1 61 LYS HA 1 61 LYS QD 3.820 . 3.820 3.772 2.079 3.908 0.088 12 0 "[ . 1 . 2]" 1
930 2 61 LYS HA 2 61 LYS QD 3.820 . 3.820 3.872 3.836 3.906 0.086 18 0 "[ . 1 . 2]" 1
931 1 19 LYS HA 1 19 LYS QD 3.800 . 3.800 3.599 3.002 3.911 0.111 8 0 "[ . 1 . 2]" 1
932 2 19 LYS HA 2 19 LYS QD 3.800 . 3.800 3.682 3.021 3.956 0.156 14 0 "[ . 1 . 2]" 1
933 1 21 ARG HG2 1 25 ILE HA 5.390 . 5.390 5.375 5.114 5.474 0.084 3 0 "[ . 1 . 2]" 1
934 2 21 ARG HG2 2 25 ILE HA 5.390 . 5.390 5.375 5.119 5.497 0.107 12 0 "[ . 1 . 2]" 1
935 1 40 LEU HA 1 40 LEU HG 3.420 . 3.420 2.689 2.250 3.410 . 0 0 "[ . 1 . 2]" 1
936 2 40 LEU HA 2 40 LEU HG 3.420 . 3.420 2.711 2.346 3.454 0.034 15 0 "[ . 1 . 2]" 1
937 1 52 LYS HG2 2 25 ILE HA 4.610 . 4.610 3.784 3.579 3.995 . 0 0 "[ . 1 . 2]" 1
938 1 25 ILE HA 2 52 LYS HG2 4.610 . 4.610 3.701 3.414 3.853 . 0 0 "[ . 1 . 2]" 1
939 1 11 LYS HA 1 11 LYS QG 3.330 . 3.330 2.967 2.266 3.440 0.110 5 0 "[ . 1 . 2]" 1
940 2 11 LYS HA 2 11 LYS QG 3.330 . 3.330 2.791 2.330 3.363 0.033 5 0 "[ . 1 . 2]" 1
941 1 13 SER QB 1 14 LYS HG2 4.720 . 4.720 4.216 3.068 4.836 0.116 4 0 "[ . 1 . 2]" 1
942 2 13 SER QB 2 14 LYS HG2 4.720 . 4.720 4.213 3.055 4.910 0.190 17 0 "[ . 1 . 2]" 1
943 1 57 GLU HA 1 61 LYS HG2 4.770 . 4.770 4.647 3.521 4.854 0.084 8 0 "[ . 1 . 2]" 1
944 2 57 GLU HA 2 61 LYS HG2 4.770 . 4.770 4.695 4.572 4.814 0.044 20 0 "[ . 1 . 2]" 1
945 1 52 LYS HA 1 52 LYS HG3 3.870 . 3.870 2.521 2.434 2.623 . 0 0 "[ . 1 . 2]" 1
946 2 52 LYS HA 2 52 LYS HG3 3.870 . 3.870 2.537 2.433 2.623 . 0 0 "[ . 1 . 2]" 1
947 1 40 LEU HA 1 42 LYS QG 4.920 . 4.920 4.695 4.173 4.986 0.066 5 0 "[ . 1 . 2]" 1
948 2 40 LEU HA 2 42 LYS QG 4.920 . 4.920 4.677 4.101 5.007 0.087 20 0 "[ . 1 . 2]" 1
949 1 42 LYS QG 1 46 ARG QD 4.550 . 4.550 3.878 2.502 4.726 0.176 9 0 "[ . 1 . 2]" 1
950 2 42 LYS QG 2 46 ARG QD 4.550 . 4.550 3.849 2.970 4.565 0.015 12 0 "[ . 1 . 2]" 1
951 1 36 ILE HA 1 59 THR MG 4.710 . 4.710 4.745 4.691 4.783 0.073 6 0 "[ . 1 . 2]" 1
952 2 36 ILE HA 2 59 THR MG 4.710 . 4.710 4.749 4.728 4.803 0.093 10 0 "[ . 1 . 2]" 1
953 1 64 ARG QD 1 67 GLN HB2 4.860 . 4.860 4.484 3.872 4.898 0.038 5 0 "[ . 1 . 2]" 1
954 2 64 ARG QD 2 67 GLN HB2 4.860 . 4.860 4.511 3.980 4.964 0.104 16 0 "[ . 1 . 2]" 1
955 1 18 GLU HA 1 18 GLU QG 3.430 . 3.430 3.349 3.328 3.384 . 0 0 "[ . 1 . 2]" 1
956 2 18 GLU HA 2 18 GLU QG 3.430 . 3.430 3.357 3.326 3.510 0.080 14 0 "[ . 1 . 2]" 1
957 1 57 GLU HA 1 60 VAL HB 3.970 . 3.970 2.687 2.235 2.885 . 0 0 "[ . 1 . 2]" 1
958 2 57 GLU HA 2 60 VAL HB 3.970 . 3.970 2.717 2.587 2.819 . 0 0 "[ . 1 . 2]" 1
959 1 64 ARG HA 1 67 GLN HB2 3.740 . 3.740 2.381 1.931 2.789 . 0 0 "[ . 1 . 2]" 1
960 2 64 ARG HA 2 67 GLN HB2 3.740 . 3.740 2.422 2.153 2.765 . 0 0 "[ . 1 . 2]" 1
961 1 52 LYS HA 1 55 ILE HB 3.310 . 3.310 2.763 2.486 3.053 . 0 0 "[ . 1 . 2]" 1
962 2 52 LYS HA 2 55 ILE HB 3.310 . 3.310 2.734 2.440 2.999 . 0 0 "[ . 1 . 2]" 1
963 1 15 PRO HA 1 18 GLU QB 4.520 . 4.520 4.218 3.729 4.549 0.029 11 0 "[ . 1 . 2]" 1
964 2 15 PRO HA 2 18 GLU QB 4.520 . 4.520 4.095 3.588 4.553 0.033 2 0 "[ . 1 . 2]" 1
965 1 27 GLU HA 1 31 GLN HG2 5.300 . 5.300 4.970 4.650 5.246 . 0 0 "[ . 1 . 2]" 1
966 2 27 GLU HA 2 31 GLN HG2 5.300 . 5.300 4.943 4.722 5.229 . 0 0 "[ . 1 . 2]" 1
967 1 31 GLN HA 1 31 GLN HG2 4.100 . 4.100 3.745 3.671 3.837 . 0 0 "[ . 1 . 2]" 1
968 2 31 GLN HA 2 31 GLN HG2 4.100 . 4.100 3.733 3.682 3.827 . 0 0 "[ . 1 . 2]" 1
969 1 17 MET HA 1 17 MET HG3 4.060 . 4.060 3.683 3.613 3.771 . 0 0 "[ . 1 . 2]" 1
970 2 17 MET HA 2 17 MET HG3 4.060 . 4.060 3.688 3.625 3.805 . 0 0 "[ . 1 . 2]" 1
971 1 57 GLU HA 1 57 GLU HG2 4.130 . 4.130 3.345 3.080 3.844 . 0 0 "[ . 1 . 2]" 1
972 2 57 GLU HA 2 57 GLU HG2 4.130 . 4.130 3.229 3.035 3.560 . 0 0 "[ . 1 . 2]" 1
973 1 31 GLN HG3 1 34 THR HB 5.390 . 5.390 5.340 5.168 5.413 0.023 9 0 "[ . 1 . 2]" 1
974 2 31 GLN HG3 2 34 THR HB 5.390 . 5.390 5.368 5.209 5.471 0.081 9 0 "[ . 1 . 2]" 1
975 1 31 GLN HA 1 31 GLN HG3 4.010 . 4.010 3.771 3.711 3.845 . 0 0 "[ . 1 . 2]" 1
976 2 31 GLN HA 2 31 GLN HG3 4.010 . 4.010 3.766 3.721 3.822 . 0 0 "[ . 1 . 2]" 1
977 1 43 ASP HB3 1 46 ARG QD 4.780 . 4.780 3.756 2.931 4.791 0.011 5 0 "[ . 1 . 2]" 1
978 2 43 ASP HB3 2 46 ARG QD 4.780 . 4.780 3.716 3.001 4.652 . 0 0 "[ . 1 . 2]" 1
979 1 17 MET HG2 1 20 ARG QD 4.600 . 4.600 4.286 3.918 4.607 0.007 10 0 "[ . 1 . 2]" 1
980 2 17 MET HG2 2 20 ARG QD 4.600 . 4.600 4.204 3.877 4.467 . 0 0 "[ . 1 . 2]" 1
981 1 43 ASP HB2 1 46 ARG QD 4.380 . 4.380 4.160 2.829 4.451 0.071 15 0 "[ . 1 . 2]" 1
982 2 43 ASP HB2 2 46 ARG QD 4.380 . 4.380 4.221 3.135 4.451 0.071 12 0 "[ . 1 . 2]" 1
983 1 57 GLU HA 1 61 LYS QE 5.040 . 5.040 4.509 3.589 4.973 . 0 0 "[ . 1 . 2]" 1
984 2 57 GLU HA 2 61 LYS QE 5.040 . 5.040 4.482 4.328 4.615 . 0 0 "[ . 1 . 2]" 1
985 1 52 LYS HA 1 52 LYS QE 4.080 . 4.080 3.737 3.223 4.208 0.128 11 0 "[ . 1 . 2]" 1
986 2 52 LYS HA 2 52 LYS QE 4.080 . 4.080 3.806 3.431 4.187 0.107 20 0 "[ . 1 . 2]" 1
987 1 19 LYS HA 1 19 LYS QE 4.810 . 4.810 4.448 4.040 4.972 0.162 19 0 "[ . 1 . 2]" 1
988 2 19 LYS HA 2 19 LYS QE 4.810 . 4.810 4.401 4.187 4.649 . 0 0 "[ . 1 . 2]" 1
989 1 26 ASN HB3 1 30 SER QB 4.950 . 4.950 4.305 3.930 4.811 . 0 0 "[ . 1 . 2]" 1
990 2 26 ASN HB3 2 30 SER QB 4.950 . 4.950 4.207 3.856 4.737 . 0 0 "[ . 1 . 2]" 1
991 1 65 ASN HB2 1 66 LEU HA 5.220 . 5.220 4.264 4.088 4.504 . 0 0 "[ . 1 . 2]" 1
992 2 65 ASN HB2 2 66 LEU HA 5.220 . 5.220 4.228 4.033 4.361 . 0 0 "[ . 1 . 2]" 1
993 1 23 ALA HA 1 26 ASN HB2 4.240 . 4.240 3.137 2.900 3.294 . 0 0 "[ . 1 . 2]" 1
994 2 23 ALA HA 2 26 ASN HB2 4.240 . 4.240 3.201 2.836 3.606 . 0 0 "[ . 1 . 2]" 1
995 1 26 ASN HB2 1 27 GLU HA 4.800 . 4.800 4.258 4.150 4.370 . 0 0 "[ . 1 . 2]" 1
996 2 26 ASN HB2 2 27 GLU HA 4.800 . 4.800 4.285 4.180 4.400 . 0 0 "[ . 1 . 2]" 1
997 1 35 LEU HA 1 38 ASP HB3 4.400 . 4.400 2.915 2.275 4.431 0.031 1 0 "[ . 1 . 2]" 1
998 2 35 LEU HA 2 38 ASP HB3 4.400 . 4.400 3.002 2.328 4.433 0.033 13 0 "[ . 1 . 2]" 1
999 1 38 ASP HB3 1 39 ALA HA 4.960 . 4.960 3.910 3.548 4.218 . 0 0 "[ . 1 . 2]" 1
1000 2 38 ASP HB3 2 39 ALA HA 4.960 . 4.960 3.947 3.659 4.182 . 0 0 "[ . 1 . 2]" 1
1001 1 49 LYS QE 1 50 LEU HA 4.740 . 4.740 4.327 3.367 4.755 0.015 18 0 "[ . 1 . 2]" 1
1002 2 49 LYS QE 2 50 LEU HA 4.740 . 4.740 3.955 2.439 4.754 0.014 16 0 "[ . 1 . 2]" 1
1003 1 11 LYS HA 1 11 LYS QE 4.510 . 4.510 3.729 1.981 4.725 0.215 19 0 "[ . 1 . 2]" 1
1004 2 11 LYS HA 2 11 LYS QE 4.510 . 4.510 3.605 2.416 4.540 0.030 4 0 "[ . 1 . 2]" 1
1005 1 68 ARG HA 1 68 ARG QD 3.870 . 3.870 3.815 3.703 3.894 0.024 3 0 "[ . 1 . 2]" 1
1006 2 68 ARG HA 2 68 ARG QD 3.870 . 3.870 3.808 3.646 3.915 0.045 1 0 "[ . 1 . 2]" 1
1007 1 18 GLU HA 1 21 ARG QD 4.140 . 4.140 3.438 2.939 4.062 . 0 0 "[ . 1 . 2]" 1
1008 2 18 GLU HA 2 21 ARG QD 4.140 . 4.140 3.562 2.714 4.144 0.004 3 0 "[ . 1 . 2]" 1
1009 1 20 ARG HA 1 20 ARG QD 4.170 . 4.170 4.159 4.028 4.212 0.042 14 0 "[ . 1 . 2]" 1
1010 2 20 ARG HA 2 20 ARG QD 4.170 . 4.170 4.156 3.996 4.217 0.047 20 0 "[ . 1 . 2]" 1
1011 1 60 VAL HA 1 61 LYS HA 5.000 . 5.000 4.741 4.595 4.865 . 0 0 "[ . 1 . 2]" 1
1012 2 60 VAL HA 2 61 LYS HA 5.000 . 5.000 4.745 4.660 4.866 . 0 0 "[ . 1 . 2]" 1
1013 1 21 ARG HA 1 21 ARG QD 4.180 . 4.180 4.196 4.063 4.234 0.054 17 0 "[ . 1 . 2]" 1
1014 2 21 ARG HA 2 21 ARG QD 4.180 . 4.180 4.180 3.992 4.239 0.059 1 0 "[ . 1 . 2]" 1
1015 1 59 THR HA 1 62 HIS HB3 4.320 . 4.320 3.265 2.639 4.392 0.072 3 0 "[ . 1 . 2]" 1
1016 2 59 THR HA 2 62 HIS HB3 4.320 . 4.320 2.900 2.604 4.264 . 0 0 "[ . 1 . 2]" 1
1017 1 59 THR HA 1 62 HIS HB2 4.320 . 4.320 3.445 2.619 4.047 . 0 0 "[ . 1 . 2]" 1
1018 2 59 THR HA 2 62 HIS HB2 4.320 . 4.320 3.752 2.642 4.251 . 0 0 "[ . 1 . 2]" 1
1019 1 61 LYS HA 1 64 ARG QD 4.620 . 4.620 3.397 2.128 4.001 . 0 0 "[ . 1 . 2]" 1
1020 2 61 LYS HA 2 64 ARG QD 4.620 . 4.620 3.180 2.040 4.221 . 0 0 "[ . 1 . 2]" 1
1021 1 17 MET HA 1 20 ARG QD 3.910 . 3.910 2.271 2.018 2.801 . 0 0 "[ . 1 . 2]" 1
1022 2 17 MET HA 2 20 ARG QD 3.910 . 3.910 2.191 1.991 2.526 . 0 0 "[ . 1 . 2]" 1
1023 1 46 ARG HA 1 46 ARG QD 4.290 . 4.290 3.928 3.552 4.356 0.066 7 0 "[ . 1 . 2]" 1
1024 2 46 ARG HA 2 46 ARG QD 4.290 . 4.290 3.969 3.553 4.354 0.064 13 0 "[ . 1 . 2]" 1
1025 1 19 LYS HA 1 22 ARG QD 4.290 . 4.290 3.502 2.762 4.296 0.006 16 0 "[ . 1 . 2]" 1
1026 2 19 LYS HA 2 22 ARG QD 4.290 . 4.290 3.437 2.685 4.367 0.077 6 0 "[ . 1 . 2]" 1
1027 1 16 ILE HA 1 20 ARG QD 4.640 . 4.640 4.589 4.144 4.701 0.061 12 0 "[ . 1 . 2]" 1
1028 2 16 ILE HA 2 20 ARG QD 4.640 . 4.640 4.621 4.350 4.712 0.072 7 0 "[ . 1 . 2]" 1
1029 1 21 ARG QD 1 22 ARG HA 4.930 . 4.930 4.770 4.327 5.007 0.077 13 0 "[ . 1 . 2]" 1
1030 2 21 ARG QD 2 22 ARG HA 4.930 . 4.930 4.588 4.109 5.064 0.134 10 0 "[ . 1 . 2]" 1
1031 1 22 ARG HA 1 22 ARG QD 4.910 . 4.910 4.027 3.871 4.459 . 0 0 "[ . 1 . 2]" 1
1032 2 22 ARG HA 2 22 ARG QD 4.910 . 4.910 4.008 3.860 4.240 . 0 0 "[ . 1 . 2]" 1
1033 1 64 ARG HA 1 64 ARG QD 3.920 . 3.920 2.596 2.279 3.285 . 0 0 "[ . 1 . 2]" 1
1034 2 64 ARG HA 2 64 ARG QD 3.920 . 3.920 2.601 2.248 3.136 . 0 0 "[ . 1 . 2]" 1
1035 1 55 ILE HA 1 58 MET HA 5.450 . 5.450 5.448 5.348 5.517 0.067 16 0 "[ . 1 . 2]" 1
1036 2 55 ILE HA 2 58 MET HA 5.450 . 5.450 5.459 5.280 5.523 0.073 16 0 "[ . 1 . 2]" 1
1037 1 31 GLN HA 1 34 THR HB 2.910 . 2.910 2.300 2.162 2.611 . 0 0 "[ . 1 . 2]" 1
1038 2 31 GLN HA 2 34 THR HB 2.910 . 2.910 2.333 2.145 2.618 . 0 0 "[ . 1 . 2]" 1
1039 1 26 ASN HA 1 30 SER QB 4.620 . 4.620 4.470 4.066 4.714 0.094 5 0 "[ . 1 . 2]" 1
1040 2 26 ASN HA 2 30 SER QB 4.620 . 4.620 4.442 4.114 4.733 0.113 5 0 "[ . 1 . 2]" 1
1041 1 41 LYS HA 1 43 ASP HA 5.430 . 5.430 5.430 5.181 5.534 0.104 13 0 "[ . 1 . 2]" 1
1042 2 41 LYS HA 2 43 ASP HA 5.430 . 5.430 5.430 5.075 5.531 0.101 2 0 "[ . 1 . 2]" 1
1043 1 42 LYS HA 1 43 ASP HA 4.840 . 4.840 4.770 4.576 4.870 0.030 3 0 "[ . 1 . 2]" 1
1044 2 42 LYS HA 2 43 ASP HA 4.840 . 4.840 4.776 4.602 4.869 0.029 6 0 "[ . 1 . 2]" 1
1045 1 43 ASP HA 1 44 SER HA 4.430 . 4.430 4.164 4.065 4.402 . 0 0 "[ . 1 . 2]" 1
1046 2 43 ASP HA 2 44 SER HA 4.430 . 4.430 4.138 4.060 4.277 . 0 0 "[ . 1 . 2]" 1
1047 1 38 ASP HA 1 41 LYS HA 4.140 . 4.140 3.822 2.976 4.156 0.016 6 0 "[ . 1 . 2]" 1
1048 2 38 ASP HA 2 41 LYS HA 4.140 . 4.140 3.842 3.346 4.232 0.092 17 0 "[ . 1 . 2]" 1
1049 1 14 LYS HA 1 15 PRO HD3 3.700 . 3.700 2.278 1.816 2.488 . 0 0 "[ . 1 . 2]" 1
1050 2 14 LYS HA 2 15 PRO HD3 3.700 . 3.700 2.297 1.881 2.571 . 0 0 "[ . 1 . 2]" 1
1051 1 46 ARG QD 1 47 HIS HA 4.670 . 4.670 3.468 2.975 4.457 . 0 0 "[ . 1 . 2]" 1
1052 2 46 ARG QD 2 47 HIS HA 4.670 . 4.670 3.534 3.022 4.548 . 0 0 "[ . 1 . 2]" 1
1053 1 65 ASN HA 1 68 ARG QD 4.170 . 4.170 3.022 2.264 4.021 . 0 0 "[ . 1 . 2]" 1
1054 2 65 ASN HA 2 68 ARG QD 4.170 . 4.170 2.780 2.107 3.354 . 0 0 "[ . 1 . 2]" 1
1055 1 27 GLU HA 1 30 SER H 4.130 . 4.130 3.728 3.406 4.110 . 0 0 "[ . 1 . 2]" 1
1056 2 27 GLU HA 2 30 SER H 4.130 . 4.130 3.656 3.166 4.072 . 0 0 "[ . 1 . 2]" 1
1057 1 64 ARG HA 1 67 GLN H 4.530 . 4.530 3.401 2.919 3.729 . 0 0 "[ . 1 . 2]" 1
1058 2 64 ARG HA 2 67 GLN H 4.530 . 4.530 3.446 3.097 3.762 . 0 0 "[ . 1 . 2]" 1
1059 1 66 LEU HA 1 70 GLN HE21 4.700 . 4.700 3.889 2.068 4.785 0.085 16 0 "[ . 1 . 2]" 1
1060 2 66 LEU HA 2 70 GLN HE21 4.700 . 4.700 4.068 2.584 4.812 0.112 6 0 "[ . 1 . 2]" 1
1061 1 22 ARG QD 1 26 ASN HD22 4.170 . 4.170 3.987 3.244 4.234 0.064 19 0 "[ . 1 . 2]" 1
1062 2 22 ARG QD 2 26 ASN HD22 4.170 . 4.170 4.125 3.830 4.263 0.093 12 0 "[ . 1 . 2]" 1
1063 1 14 LYS H 1 15 PRO HA 5.500 . 5.500 5.205 5.007 5.527 0.027 5 0 "[ . 1 . 2]" 1
1064 2 14 LYS H 2 15 PRO HA 5.500 . 5.500 5.236 5.018 5.536 0.036 8 0 "[ . 1 . 2]" 1
1065 1 14 LYS H 1 15 PRO HD2 4.860 . 4.860 4.700 4.379 4.961 0.101 5 0 "[ . 1 . 2]" 1
1066 2 14 LYS H 2 15 PRO HD2 4.860 . 4.860 4.712 4.519 4.887 0.027 12 0 "[ . 1 . 2]" 1
1067 1 23 ALA HA 1 26 ASN H 3.920 . 3.920 3.648 3.495 3.781 . 0 0 "[ . 1 . 2]" 1
1068 2 23 ALA HA 2 26 ASN H 3.920 . 3.920 3.664 3.516 3.786 . 0 0 "[ . 1 . 2]" 1
1069 1 18 GLU H 1 19 LYS HA 5.180 . 5.180 5.106 5.024 5.175 . 0 0 "[ . 1 . 2]" 1
1070 2 18 GLU H 2 19 LYS HA 5.180 . 5.180 5.109 5.042 5.159 . 0 0 "[ . 1 . 2]" 1
1071 1 15 PRO HD2 1 17 MET H 5.500 . 5.500 4.281 3.471 4.539 . 0 0 "[ . 1 . 2]" 1
1072 2 15 PRO HD2 2 17 MET H 5.500 . 5.500 4.405 4.134 4.821 . 0 0 "[ . 1 . 2]" 1
1073 1 15 PRO HA 1 17 MET H 4.720 . 4.720 4.564 4.359 4.762 0.042 6 0 "[ . 1 . 2]" 1
1074 2 15 PRO HA 2 17 MET H 4.720 . 4.720 4.563 4.357 4.721 0.001 2 0 "[ . 1 . 2]" 1
1075 1 20 ARG H 1 20 ARG QD 3.980 . 3.980 3.543 3.341 3.626 . 0 0 "[ . 1 . 2]" 1
1076 2 20 ARG H 2 20 ARG QD 3.980 . 3.980 3.531 3.456 3.612 . 0 0 "[ . 1 . 2]" 1
1077 1 54 ASP HA 1 56 LEU H 4.680 . 4.680 4.612 4.464 4.709 0.029 4 0 "[ . 1 . 2]" 1
1078 2 54 ASP HA 2 56 LEU H 4.680 . 4.680 4.636 4.440 4.700 0.020 11 0 "[ . 1 . 2]" 1
1079 1 52 LYS HA 1 56 LEU H 4.520 . 4.520 4.082 3.850 4.280 . 0 0 "[ . 1 . 2]" 1
1080 2 52 LYS HA 2 56 LEU H 4.520 . 4.520 3.969 3.748 4.247 . 0 0 "[ . 1 . 2]" 1
1081 1 15 PRO HA 1 19 LYS H 4.370 . 4.370 4.201 4.024 4.379 0.009 6 0 "[ . 1 . 2]" 1
1082 2 15 PRO HA 2 19 LYS H 4.370 . 4.370 4.178 3.963 4.320 . 0 0 "[ . 1 . 2]" 1
1083 1 34 THR HB 1 35 LEU H 3.720 . 3.720 2.424 2.248 2.573 . 0 0 "[ . 1 . 2]" 1
1084 2 34 THR HB 2 35 LEU H 3.720 . 3.720 2.393 2.223 2.588 . 0 0 "[ . 1 . 2]" 1
1085 1 64 ARG QD 1 65 ASN H 4.940 . 4.940 4.362 3.983 4.543 . 0 0 "[ . 1 . 2]" 1
1086 2 64 ARG QD 2 65 ASN H 4.940 . 4.940 4.312 4.010 4.508 . 0 0 "[ . 1 . 2]" 1
1087 1 30 SER QB 1 31 GLN H 3.470 . 3.470 2.679 2.314 3.421 . 0 0 "[ . 1 . 2]" 1
1088 2 30 SER QB 2 31 GLN H 3.470 . 3.470 2.699 2.251 3.404 . 0 0 "[ . 1 . 2]" 1
1089 1 68 ARG HA 1 70 GLN H 4.010 . 4.010 3.356 2.893 4.202 0.192 9 0 "[ . 1 . 2]" 1
1090 2 68 ARG HA 2 70 GLN H 4.010 . 4.010 3.303 2.969 3.989 . 0 0 "[ . 1 . 2]" 1
1091 1 29 LEU H 1 30 SER QB 4.570 . 4.570 4.453 4.234 4.658 0.088 17 0 "[ . 1 . 2]" 1
1092 2 29 LEU H 2 30 SER QB 4.570 . 4.570 4.457 4.240 4.667 0.097 4 0 "[ . 1 . 2]" 1
1093 1 51 GLU H 1 51 GLU HG3 3.990 . 3.990 3.183 2.024 3.996 0.006 10 0 "[ . 1 . 2]" 1
1094 2 51 GLU H 2 51 GLU HG3 3.990 . 3.990 3.025 2.168 3.911 . 0 0 "[ . 1 . 2]" 1
1095 1 29 LEU H 1 29 LEU HG 4.070 . 4.070 4.112 4.074 4.140 0.070 3 0 "[ . 1 . 2]" 1
1096 2 29 LEU H 2 29 LEU HG 4.070 . 4.070 4.118 4.044 4.175 0.105 13 0 "[ . 1 . 2]" 1
1097 1 57 GLU HG3 1 58 MET H 5.190 . 5.190 4.508 3.278 4.903 . 0 0 "[ . 1 . 2]" 1
1098 2 57 GLU HG3 2 58 MET H 5.190 . 5.190 4.699 4.326 5.010 . 0 0 "[ . 1 . 2]" 1
1099 1 58 MET H 1 60 VAL HB 5.460 . 5.460 5.185 4.731 5.375 . 0 0 "[ . 1 . 2]" 1
1100 2 58 MET H 2 60 VAL HB 5.460 . 5.460 5.252 5.103 5.344 . 0 0 "[ . 1 . 2]" 1
1101 1 64 ARG H 1 67 GLN HB2 4.730 . 4.730 4.715 4.548 4.776 0.046 1 0 "[ . 1 . 2]" 1
1102 2 64 ARG H 2 67 GLN HB2 4.730 . 4.730 4.698 4.551 4.782 0.052 10 0 "[ . 1 . 2]" 1
1103 1 11 LYS H 1 11 LYS QB 3.620 . 3.620 2.684 2.253 3.215 . 0 0 "[ . 1 . 2]" 1
1104 2 11 LYS H 2 11 LYS QB 3.620 . 3.620 2.639 2.278 2.937 . 0 0 "[ . 1 . 2]" 1
1105 1 11 LYS QE 1 12 SER H 4.910 . 4.910 4.188 2.237 4.931 0.021 4 0 "[ . 1 . 2]" 1
1106 2 11 LYS QE 2 12 SER H 4.910 . 4.910 4.363 2.690 4.974 0.064 5 0 "[ . 1 . 2]" 1
1107 1 17 MET HG2 1 18 GLU H 4.410 . 4.410 4.276 4.120 4.365 . 0 0 "[ . 1 . 2]" 1
1108 2 17 MET HG2 2 18 GLU H 4.410 . 4.410 4.258 4.159 4.414 0.004 9 0 "[ . 1 . 2]" 1
1109 1 17 MET HG3 1 18 GLU H 4.870 . 4.870 4.920 4.882 4.962 0.092 12 0 "[ . 1 . 2]" 1
1110 2 17 MET HG3 2 18 GLU H 4.870 . 4.870 4.922 4.843 4.952 0.082 10 0 "[ . 1 . 2]" 1
1111 1 18 GLU H 1 18 GLU QG 3.560 . 3.560 2.209 2.006 2.473 . 0 0 "[ . 1 . 2]" 1
1112 2 18 GLU H 2 18 GLU QG 3.560 . 3.560 2.232 1.924 2.749 . 0 0 "[ . 1 . 2]" 1
1113 1 17 MET HB3 1 18 GLU H 3.920 . 3.920 3.614 3.489 3.825 . 0 0 "[ . 1 . 2]" 1
1114 2 17 MET HB3 2 18 GLU H 3.920 . 3.920 3.646 3.544 3.773 . 0 0 "[ . 1 . 2]" 1
1115 1 18 GLU H 1 19 LYS QB 4.230 . 4.230 4.244 4.144 4.330 0.100 19 0 "[ . 1 . 2]" 1
1116 2 18 GLU H 2 19 LYS QB 4.230 . 4.230 4.266 4.192 4.334 0.104 6 0 "[ . 1 . 2]" 1
1117 1 43 ASP H 1 43 ASP HB3 3.930 . 3.930 3.292 2.903 3.924 . 0 0 "[ . 1 . 2]" 1
1118 2 43 ASP H 2 43 ASP HB3 3.930 . 3.930 3.258 2.788 3.923 . 0 0 "[ . 1 . 2]" 1
1119 1 17 MET H 1 17 MET HG3 3.900 . 3.900 3.680 3.605 3.734 . 0 0 "[ . 1 . 2]" 1
1120 2 17 MET H 2 17 MET HG3 3.900 . 3.900 3.660 3.523 3.731 . 0 0 "[ . 1 . 2]" 1
1121 1 16 ILE HB 1 17 MET H 4.120 . 4.120 3.981 3.913 4.041 . 0 0 "[ . 1 . 2]" 1
1122 2 16 ILE HB 2 17 MET H 4.120 . 4.120 3.983 3.940 4.020 . 0 0 "[ . 1 . 2]" 1
1123 1 27 GLU H 1 27 GLU QG 3.470 . 3.470 2.243 2.120 2.333 . 0 0 "[ . 1 . 2]" 1
1124 2 27 GLU H 2 27 GLU QG 3.470 . 3.470 2.238 2.168 2.361 . 0 0 "[ . 1 . 2]" 1
1125 1 27 GLU H 1 27 GLU HB2 3.760 . 3.760 2.620 2.444 3.655 . 0 0 "[ . 1 . 2]" 1
1126 2 27 GLU H 2 27 GLU HB2 3.760 . 3.760 2.550 2.438 2.626 . 0 0 "[ . 1 . 2]" 1
1127 1 28 SER H 1 31 GLN HG2 4.660 . 4.660 4.554 4.375 4.672 0.012 18 0 "[ . 1 . 2]" 1
1128 2 28 SER H 2 31 GLN HG2 4.660 . 4.660 4.526 4.376 4.663 0.003 9 0 "[ . 1 . 2]" 1
1129 1 19 LYS QE 1 20 ARG H 4.960 . 4.960 3.753 3.114 4.485 . 0 0 "[ . 1 . 2]" 1
1130 2 19 LYS QE 2 20 ARG H 4.960 . 4.960 3.919 3.060 4.801 . 0 0 "[ . 1 . 2]" 1
1131 1 15 PRO HG3 1 16 ILE H 4.530 . 4.530 3.899 3.701 4.331 . 0 0 "[ . 1 . 2]" 1
1132 2 15 PRO HG3 2 16 ILE H 4.530 . 4.530 4.009 3.806 4.471 . 0 0 "[ . 1 . 2]" 1
1133 1 14 LYS QE 1 16 ILE H 4.900 . 4.900 4.454 3.660 4.994 0.094 6 0 "[ . 1 . 2]" 1
1134 2 14 LYS QE 2 16 ILE H 4.900 . 4.900 4.471 3.136 5.014 0.114 12 0 "[ . 1 . 2]" 1
1135 1 57 GLU H 1 57 GLU HG2 4.210 . 4.210 4.089 2.755 4.279 0.069 4 0 "[ . 1 . 2]" 1
1136 2 57 GLU H 2 57 GLU HG2 4.210 . 4.210 4.234 4.094 4.295 0.085 1 0 "[ . 1 . 2]" 1
1137 1 57 GLU H 1 57 GLU HG3 5.500 . 5.500 4.419 3.780 4.575 . 0 0 "[ . 1 . 2]" 1
1138 2 57 GLU H 2 57 GLU HG3 5.500 . 5.500 4.470 4.415 4.531 . 0 0 "[ . 1 . 2]" 1
1139 1 36 ILE HB 1 37 LEU H 3.720 . 3.720 2.572 2.375 2.905 . 0 0 "[ . 1 . 2]" 1
1140 2 36 ILE HB 2 37 LEU H 3.720 . 3.720 2.566 2.375 2.813 . 0 0 "[ . 1 . 2]" 1
1141 1 37 LEU H 1 38 ASP HB2 4.760 . 4.760 4.565 4.365 4.782 0.022 4 0 "[ . 1 . 2]" 1
1142 2 37 LEU H 2 38 ASP HB2 4.760 . 4.760 4.580 4.353 4.780 0.020 13 0 "[ . 1 . 2]" 1
1143 1 65 ASN H 1 67 GLN HB2 4.840 . 4.840 4.874 4.708 4.931 0.091 19 0 "[ . 1 . 2]" 1
1144 2 65 ASN H 2 67 GLN HB2 4.840 . 4.840 4.875 4.819 4.941 0.101 19 0 "[ . 1 . 2]" 1
1145 1 37 LEU H 1 37 LEU HB3 3.710 . 3.710 2.827 2.602 3.497 . 0 0 "[ . 1 . 2]" 1
1146 2 37 LEU H 2 37 LEU HB3 3.710 . 3.710 2.878 2.560 3.539 . 0 0 "[ . 1 . 2]" 1
1147 1 49 LYS QE 1 50 LEU H 3.970 . 3.970 3.844 2.942 4.077 0.107 12 0 "[ . 1 . 2]" 1
1148 2 49 LYS QE 2 50 LEU H 3.970 . 3.970 3.695 2.772 4.109 0.139 2 0 "[ . 1 . 2]" 1
1149 1 66 LEU H 1 67 GLN HB2 4.750 . 4.750 4.616 4.489 4.738 . 0 0 "[ . 1 . 2]" 1
1150 2 66 LEU H 2 67 GLN HB2 4.750 . 4.750 4.616 4.541 4.757 0.007 10 0 "[ . 1 . 2]" 1
1151 1 39 ALA H 1 41 LYS QE 4.440 . 4.440 4.449 4.129 4.564 0.124 8 0 "[ . 1 . 2]" 1
1152 2 39 ALA H 2 41 LYS QE 4.440 . 4.440 4.402 4.065 4.562 0.122 14 0 "[ . 1 . 2]" 1
1153 1 41 LYS H 1 41 LYS QE 4.430 . 4.430 3.508 2.791 4.036 . 0 0 "[ . 1 . 2]" 1
1154 2 41 LYS H 2 41 LYS QE 4.430 . 4.430 3.401 2.664 3.760 . 0 0 "[ . 1 . 2]" 1
1155 1 67 GLN H 1 67 GLN HG3 3.880 . 3.880 3.772 2.975 3.909 0.029 3 0 "[ . 1 . 2]" 1
1156 2 67 GLN H 2 67 GLN HG3 3.880 . 3.880 3.808 3.019 3.940 0.060 20 0 "[ . 1 . 2]" 1
1157 1 67 GLN H 1 68 ARG QB 5.480 . 5.480 4.949 4.692 5.271 . 0 0 "[ . 1 . 2]" 1
1158 2 67 GLN H 2 68 ARG QB 5.480 . 5.480 4.904 4.675 5.176 . 0 0 "[ . 1 . 2]" 1
1159 1 64 ARG QB 1 67 GLN H 4.840 . 4.840 4.717 4.480 4.838 . 0 0 "[ . 1 . 2]" 1
1160 2 64 ARG QB 2 67 GLN H 4.840 . 4.840 4.716 4.557 4.881 0.041 10 0 "[ . 1 . 2]" 1
1161 1 52 LYS QB 1 54 ASP H 4.550 . 4.550 4.527 4.400 4.606 0.056 11 0 "[ . 1 . 2]" 1
1162 2 52 LYS QB 2 54 ASP H 4.550 . 4.550 4.545 4.438 4.620 0.070 3 0 "[ . 1 . 2]" 1
1163 1 22 ARG QB 1 26 ASN HD22 5.010 . 5.010 4.249 2.771 4.521 . 0 0 "[ . 1 . 2]" 1
1164 2 22 ARG QB 2 26 ASN HD22 5.010 . 5.010 4.140 2.797 4.660 . 0 0 "[ . 1 . 2]" 1
1165 1 49 LYS QE 1 51 GLU HA 4.970 . 4.970 4.491 3.304 4.981 0.011 5 0 "[ . 1 . 2]" 1
1166 2 49 LYS QE 2 51 GLU HA 4.970 . 4.970 4.460 3.360 5.021 0.051 20 0 "[ . 1 . 2]" 1
1167 1 14 LYS HA 1 14 LYS QE 4.140 . 4.140 2.111 1.793 3.769 . 0 0 "[ . 1 . 2]" 1
1168 2 14 LYS HA 2 14 LYS QE 4.140 . 4.140 2.122 1.780 3.383 . 0 0 "[ . 1 . 2]" 1
1169 1 65 ASN HA 1 68 ARG QG 4.080 . 4.080 2.518 2.108 4.081 0.001 11 0 "[ . 1 . 2]" 1
1170 2 65 ASN HA 2 68 ARG QG 4.080 . 4.080 2.614 2.022 4.115 0.035 17 0 "[ . 1 . 2]" 1
1171 1 38 ASP HA 1 41 LYS QE 4.320 . 4.320 3.583 1.743 4.344 0.024 18 0 "[ . 1 . 2]" 1
1172 2 38 ASP HA 2 41 LYS QE 4.320 . 4.320 3.385 1.740 4.324 0.004 19 0 "[ . 1 . 2]" 1
1173 1 15 PRO HA 1 18 GLU QG 3.510 . 3.510 2.201 1.917 2.517 . 0 0 "[ . 1 . 2]" 1
1174 2 15 PRO HA 2 18 GLU QG 3.510 . 3.510 2.154 1.924 2.446 . 0 0 "[ . 1 . 2]" 1
1175 1 49 LYS HA 1 49 LYS QE 3.930 . 3.930 1.997 1.814 3.030 . 0 0 "[ . 1 . 2]" 1
1176 2 49 LYS HA 2 49 LYS QE 3.930 . 3.930 2.315 1.790 3.984 0.054 18 0 "[ . 1 . 2]" 1
1177 1 17 MET HA 1 17 MET HG2 3.780 . 3.780 2.969 2.812 3.223 . 0 0 "[ . 1 . 2]" 1
1178 2 17 MET HA 2 17 MET HG2 3.780 . 3.780 2.959 2.787 3.139 . 0 0 "[ . 1 . 2]" 1
1179 1 54 ASP HA 1 57 GLU HB3 3.870 . 3.870 2.992 2.277 3.991 0.121 8 0 "[ . 1 . 2]" 1
1180 2 54 ASP HA 2 57 GLU HB3 3.870 . 3.870 2.901 2.412 3.483 . 0 0 "[ . 1 . 2]" 1
1181 1 17 MET HA 1 17 MET ME 3.720 . 3.720 3.376 2.803 3.817 0.097 3 0 "[ . 1 . 2]" 1
1182 2 17 MET HA 2 17 MET ME 3.720 . 3.720 3.321 1.861 3.809 0.089 20 0 "[ . 1 . 2]" 1
1183 1 43 ASP HB3 1 44 SER HA 4.600 . 4.600 4.566 4.423 4.727 0.127 7 0 "[ . 1 . 2]" 1
1184 2 43 ASP HB3 2 44 SER HA 4.600 . 4.600 4.573 4.442 4.723 0.123 8 0 "[ . 1 . 2]" 1
1185 1 27 GLU HA 1 27 GLU QG 3.200 . 3.200 2.774 2.384 3.309 0.109 15 0 "[ . 1 . 2]" 1
1186 2 27 GLU HA 2 27 GLU QG 3.200 . 3.200 2.818 2.410 3.087 . 0 0 "[ . 1 . 2]" 1
1187 1 43 ASP HB2 1 44 SER HA 5.500 . 5.500 5.535 4.671 5.680 0.180 12 0 "[ . 1 . 2]" 1
1188 2 43 ASP HB2 2 44 SER HA 5.500 . 5.500 5.561 4.897 5.681 0.181 10 0 "[ . 1 . 2]" 1
1189 1 67 GLN HA 1 67 GLN HG2 3.940 . 3.940 2.652 2.270 2.828 . 0 0 "[ . 1 . 2]" 1
1190 2 67 GLN HA 2 67 GLN HG2 3.940 . 3.940 2.653 2.164 2.818 . 0 0 "[ . 1 . 2]" 1
1191 1 67 GLN HA 1 67 GLN HG3 4.090 . 4.090 3.657 3.482 3.713 . 0 0 "[ . 1 . 2]" 1
1192 2 67 GLN HA 2 67 GLN HG3 4.090 . 4.090 3.656 3.411 3.708 . 0 0 "[ . 1 . 2]" 1
1193 1 39 ALA HA 1 41 LYS QE 3.980 . 3.980 3.368 2.858 4.108 0.128 16 0 "[ . 1 . 2]" 1
1194 2 39 ALA HA 2 41 LYS QE 3.980 . 3.980 3.426 2.814 4.166 0.186 11 0 "[ . 1 . 2]" 1
1195 1 31 GLN HA 1 33 LYS QE 5.500 . 5.500 5.226 4.737 5.568 0.068 10 0 "[ . 1 . 2]" 1
1196 2 31 GLN HA 2 33 LYS QE 5.500 . 5.500 5.167 4.327 5.545 0.045 7 0 "[ . 1 . 2]" 1
1197 1 35 LEU HA 1 38 ASP HB2 4.150 . 4.150 2.893 2.523 3.270 . 0 0 "[ . 1 . 2]" 1
1198 2 35 LEU HA 2 38 ASP HB2 4.150 . 4.150 2.904 2.303 3.498 . 0 0 "[ . 1 . 2]" 1
1199 1 41 LYS HA 1 41 LYS QE 4.220 . 4.220 3.768 1.818 4.340 0.120 7 0 "[ . 1 . 2]" 1
1200 2 41 LYS HA 2 41 LYS QE 4.220 . 4.220 3.516 1.823 4.228 0.008 17 0 "[ . 1 . 2]" 1
1201 1 42 LYS QE 1 58 MET HA 5.500 . 5.500 4.844 4.180 5.572 0.072 13 0 "[ . 1 . 2]" 1
1202 2 42 LYS QE 2 58 MET HA 5.500 . 5.500 4.701 4.181 5.516 0.016 14 0 "[ . 1 . 2]" 1
1203 1 57 GLU HG2 1 58 MET HA 4.490 . 4.490 3.408 3.054 4.169 . 0 0 "[ . 1 . 2]" 1
1204 2 57 GLU HG2 2 58 MET HA 4.490 . 4.490 3.396 3.041 3.717 . 0 0 "[ . 1 . 2]" 1
1205 1 31 GLN HG3 1 32 LEU HA 4.690 . 4.690 3.473 3.183 3.752 . 0 0 "[ . 1 . 2]" 1
1206 2 31 GLN HG3 2 32 LEU HA 4.690 . 4.690 3.480 3.252 3.641 . 0 0 "[ . 1 . 2]" 1
1207 1 16 ILE HA 1 19 LYS QB 3.390 . 3.390 2.620 2.409 3.423 0.033 19 0 "[ . 1 . 2]" 1
1208 2 16 ILE HA 2 19 LYS QB 3.390 . 3.390 2.646 2.409 3.084 . 0 0 "[ . 1 . 2]" 1
1209 1 16 ILE HA 1 19 LYS QE 4.050 . 4.050 2.917 2.232 3.946 . 0 0 "[ . 1 . 2]" 1
1210 2 16 ILE HA 2 19 LYS QE 4.050 . 4.050 2.821 2.221 4.065 0.015 20 0 "[ . 1 . 2]" 1
1211 1 31 GLN HG2 1 32 LEU HA 4.800 . 4.800 4.626 4.461 4.816 0.016 1 0 "[ . 1 . 2]" 1
1212 2 31 GLN HG2 2 32 LEU HA 4.800 . 4.800 4.653 4.426 4.838 0.038 19 0 "[ . 1 . 2]" 1
1213 1 57 GLU HA 1 57 GLU HG3 3.950 . 3.950 2.840 2.623 3.492 . 0 0 "[ . 1 . 2]" 1
1214 2 57 GLU HA 2 57 GLU HG3 3.950 . 3.950 2.737 2.575 2.934 . 0 0 "[ . 1 . 2]" 1
1215 1 64 ARG HA 1 67 GLN HG3 4.340 . 4.340 3.618 2.571 4.342 0.002 19 0 "[ . 1 . 2]" 1
1216 2 64 ARG HA 2 67 GLN HG3 4.340 . 4.340 3.738 3.260 4.266 . 0 0 "[ . 1 . 2]" 1
1217 1 37 LEU HA 1 42 LYS QE 4.830 . 4.830 4.574 3.123 4.889 0.059 8 0 "[ . 1 . 2]" 1
1218 2 37 LEU HA 2 42 LYS QE 4.830 . 4.830 4.572 3.238 4.946 0.116 2 0 "[ . 1 . 2]" 1
1219 1 60 VAL HB 1 61 LYS HA 4.440 . 4.440 4.076 3.769 4.296 . 0 0 "[ . 1 . 2]" 1
1220 2 60 VAL HB 2 61 LYS HA 4.440 . 4.440 4.118 4.011 4.203 . 0 0 "[ . 1 . 2]" 1
1221 1 14 LYS QE 1 15 PRO HD3 4.100 . 4.100 3.102 2.698 4.283 0.183 6 0 "[ . 1 . 2]" 1
1222 2 14 LYS QE 2 15 PRO HD3 4.100 . 4.100 3.124 2.641 4.182 0.082 13 0 "[ . 1 . 2]" 1
1223 1 14 LYS QE 1 15 PRO HD2 4.510 . 4.510 2.357 1.840 4.408 . 0 0 "[ . 1 . 2]" 1
1224 2 14 LYS QE 2 15 PRO HD2 4.510 . 4.510 2.307 1.783 3.606 . 0 0 "[ . 1 . 2]" 1
1225 1 14 LYS HB3 1 15 PRO HD2 4.410 . 4.410 2.896 2.516 3.099 . 0 0 "[ . 1 . 2]" 1
1226 2 14 LYS HB3 2 15 PRO HD2 4.410 . 4.410 2.997 2.282 4.246 . 0 0 "[ . 1 . 2]" 1
1227 1 14 LYS HB2 1 15 PRO HD2 4.410 . 4.410 4.110 2.673 4.419 0.009 5 0 "[ . 1 . 2]" 1
1228 2 14 LYS HB2 2 15 PRO HD2 4.410 . 4.410 4.197 3.748 4.492 0.082 12 0 "[ . 1 . 2]" 1
1229 1 18 GLU QB 1 21 ARG QD 5.460 . 5.460 3.888 3.241 5.070 . 0 0 "[ . 1 . 2]" 1
1230 2 18 GLU QB 2 21 ARG QD 5.460 . 5.460 4.027 2.843 5.086 . 0 0 "[ . 1 . 2]" 1
1231 1 18 GLU QB 1 22 ARG QD 5.500 . 5.500 4.998 4.337 5.332 . 0 0 "[ . 1 . 2]" 1
1232 2 18 GLU QB 2 22 ARG QD 5.500 . 5.500 4.856 4.086 5.468 . 0 0 "[ . 1 . 2]" 1
1233 1 18 GLU QG 1 22 ARG QD 4.740 . 4.740 4.691 4.319 4.787 0.047 11 0 "[ . 1 . 2]" 1
1234 2 18 GLU QG 2 22 ARG QD 4.740 . 4.740 4.589 3.961 4.790 0.050 7 0 "[ . 1 . 2]" 1
1235 1 11 LYS QB 1 11 LYS QE 3.570 . 3.570 3.154 1.959 3.734 0.164 6 0 "[ . 1 . 2]" 1
1236 2 11 LYS QB 2 11 LYS QE 3.570 . 3.570 2.909 1.949 3.740 0.170 1 0 "[ . 1 . 2]" 1
1237 1 25 ILE HB 1 26 ASN HB2 5.500 . 5.500 4.680 4.534 4.814 . 0 0 "[ . 1 . 2]" 1
1238 2 25 ILE HB 2 26 ASN HB2 5.500 . 5.500 4.704 4.534 4.883 . 0 0 "[ . 1 . 2]" 1
1239 1 64 ARG QB 1 65 ASN HB2 5.500 . 5.500 4.746 4.581 5.154 . 0 0 "[ . 1 . 2]" 1
1240 2 64 ARG QB 2 65 ASN HB2 5.500 . 5.500 4.738 4.489 5.056 . 0 0 "[ . 1 . 2]" 1
1241 1 26 ASN HB3 1 29 LEU HB3 5.270 . 5.270 4.993 4.516 5.286 0.016 17 0 "[ . 1 . 2]" 1
1242 2 26 ASN HB3 2 29 LEU HB3 5.270 . 5.270 4.980 4.523 5.275 0.005 15 0 "[ . 1 . 2]" 1
1243 1 26 ASN HB2 1 27 GLU QG 4.370 . 4.370 3.451 3.188 4.229 . 0 0 "[ . 1 . 2]" 1
1244 2 26 ASN HB2 2 27 GLU QG 4.370 . 4.370 3.411 3.165 3.776 . 0 0 "[ . 1 . 2]" 1
1245 1 51 GLU HB2 1 54 ASP HB2 4.590 . 4.590 2.627 2.006 3.511 . 0 0 "[ . 1 . 2]" 1
1246 2 51 GLU HB2 2 54 ASP HB2 4.590 . 4.590 2.847 2.013 3.422 . 0 0 "[ . 1 . 2]" 1
1247 1 14 LYS HB3 1 17 MET HG3 4.240 . 4.240 3.552 2.899 4.250 0.010 12 0 "[ . 1 . 2]" 1
1248 2 14 LYS HB3 2 17 MET HG3 4.240 . 4.240 3.515 2.852 4.246 0.006 8 0 "[ . 1 . 2]" 1
1249 1 17 MET ME 1 17 MET HG3 4.000 . 4.000 2.523 2.467 2.586 . 0 0 "[ . 1 . 2]" 1
1250 2 17 MET ME 2 17 MET HG3 4.000 . 4.000 2.591 2.470 3.456 . 0 0 "[ . 1 . 2]" 1
1251 1 57 GLU HG3 1 61 LYS QE 3.960 . 3.960 2.468 1.826 3.617 . 0 0 "[ . 1 . 2]" 1
1252 2 57 GLU HG3 2 61 LYS QE 3.960 . 3.960 2.936 1.950 3.786 . 0 0 "[ . 1 . 2]" 1
1253 1 57 GLU HB2 1 61 LYS QE 4.510 . 4.510 4.118 3.330 4.609 0.099 15 0 "[ . 1 . 2]" 1
1254 2 57 GLU HB2 2 61 LYS QE 4.510 . 4.510 4.339 3.927 4.606 0.096 16 0 "[ . 1 . 2]" 1
1255 1 68 ARG QB 1 68 ARG QG 2.400 . 2.400 2.021 1.999 2.033 . 0 0 "[ . 1 . 2]" 1
1256 2 68 ARG QB 2 68 ARG QG 2.400 . 2.400 2.019 1.996 2.036 . 0 0 "[ . 1 . 2]" 1
1257 1 60 VAL HB 1 61 LYS HG3 4.260 . 4.260 3.436 2.953 4.326 0.066 10 0 "[ . 1 . 2]" 1
1258 2 60 VAL HB 2 61 LYS HG3 4.260 . 4.260 3.391 3.246 3.582 . 0 0 "[ . 1 . 2]" 1
1259 1 23 ALA MB 1 27 GLU QG 3.810 . 3.810 3.247 3.133 3.819 0.009 15 0 "[ . 1 . 2]" 1
1260 2 23 ALA MB 2 27 GLU QG 3.810 . 3.810 3.192 3.049 3.380 . 0 0 "[ . 1 . 2]" 1
1261 1 14 LYS HG3 1 17 MET HB2 4.430 . 4.430 3.912 3.469 4.276 . 0 0 "[ . 1 . 2]" 1
1262 2 14 LYS HG3 2 17 MET HB2 4.430 . 4.430 3.927 3.594 4.361 . 0 0 "[ . 1 . 2]" 1
1263 1 57 GLU HG3 1 61 LYS HG2 4.160 . 4.160 3.342 2.833 3.629 . 0 0 "[ . 1 . 2]" 1
1264 2 57 GLU HG3 2 61 LYS HG2 4.160 . 4.160 3.324 3.222 3.406 . 0 0 "[ . 1 . 2]" 1
1265 1 60 VAL HB 1 61 LYS HG2 4.030 . 4.030 3.687 2.670 4.004 . 0 0 "[ . 1 . 2]" 1
1266 2 60 VAL HB 2 61 LYS HG2 4.030 . 4.030 3.755 3.620 4.036 0.006 17 0 "[ . 1 . 2]" 1
1267 1 16 ILE HB 1 17 MET HG2 5.220 . 5.220 5.147 4.900 5.239 0.019 7 0 "[ . 1 . 2]" 1
1268 2 16 ILE HB 2 17 MET HG2 5.220 . 5.220 5.119 4.952 5.244 0.024 17 0 "[ . 1 . 2]" 1
1269 1 19 LYS QB 1 19 LYS QE 3.400 . 3.400 2.112 1.969 3.481 0.081 19 0 "[ . 1 . 2]" 1
1270 2 19 LYS QB 2 19 LYS QE 3.400 . 3.400 2.043 1.978 2.140 . 0 0 "[ . 1 . 2]" 1
1271 1 52 LYS QB 1 52 LYS QE 3.720 . 3.720 2.028 1.859 2.678 . 0 0 "[ . 1 . 2]" 1
1272 2 52 LYS QB 2 52 LYS QE 3.720 . 3.720 1.952 1.870 2.573 . 0 0 "[ . 1 . 2]" 1
1273 1 14 LYS HB3 1 17 MET HG2 4.300 . 4.300 2.607 2.303 3.204 . 0 0 "[ . 1 . 2]" 1
1274 2 14 LYS HB3 2 17 MET HG2 4.300 . 4.300 2.602 2.170 3.270 . 0 0 "[ . 1 . 2]" 1
1275 1 14 LYS HB2 1 17 MET HG3 4.240 . 4.240 2.733 2.452 3.290 . 0 0 "[ . 1 . 2]" 1
1276 2 14 LYS HB2 2 17 MET HG3 4.240 . 4.240 2.758 2.296 3.847 . 0 0 "[ . 1 . 2]" 1
1277 1 14 LYS HB2 1 17 MET HG2 4.300 . 4.300 2.570 2.008 3.313 . 0 0 "[ . 1 . 2]" 1
1278 2 14 LYS HB2 2 17 MET HG2 4.300 . 4.300 2.660 2.129 3.962 . 0 0 "[ . 1 . 2]" 1
1279 1 14 LYS QD 1 17 MET HG2 4.220 . 4.220 3.793 3.587 4.239 0.019 18 0 "[ . 1 . 2]" 1
1280 2 14 LYS QD 2 17 MET HG2 4.220 . 4.220 3.747 3.272 4.197 . 0 0 "[ . 1 . 2]" 1
1281 1 14 LYS QD 1 17 MET HG3 4.420 . 4.420 4.346 3.766 4.513 0.093 18 0 "[ . 1 . 2]" 1
1282 2 14 LYS QD 2 17 MET HG3 4.420 . 4.420 4.331 3.990 4.499 0.079 16 0 "[ . 1 . 2]" 1
1283 1 57 GLU HG2 1 61 LYS QD 4.720 . 4.720 2.776 2.260 4.749 0.029 2 0 "[ . 1 . 2]" 1
1284 2 57 GLU HG2 2 61 LYS QD 4.720 . 4.720 2.415 2.261 2.769 . 0 0 "[ . 1 . 2]" 1
1285 1 42 LYS QB 1 43 ASP HB3 4.670 . 4.670 3.950 3.372 4.749 0.079 10 0 "[ . 1 . 2]" 1
1286 2 42 LYS QB 2 43 ASP HB3 4.670 . 4.670 3.896 3.187 4.748 0.078 13 0 "[ . 1 . 2]" 1
1287 1 42 LYS QB 1 43 ASP HB2 4.430 . 4.430 3.610 3.338 3.989 . 0 0 "[ . 1 . 2]" 1
1288 2 42 LYS QB 2 43 ASP HB2 4.430 . 4.430 3.588 3.302 3.869 . 0 0 "[ . 1 . 2]" 1
1289 1 61 LYS QE 1 61 LYS HG3 2.970 . 2.970 2.483 2.175 2.700 . 0 0 "[ . 1 . 2]" 1
1290 2 61 LYS QE 2 61 LYS HG3 2.970 . 2.970 2.365 2.140 2.702 . 0 0 "[ . 1 . 2]" 1
1291 1 14 LYS HG3 1 17 MET HG2 4.450 . 4.450 3.197 2.738 4.490 0.040 6 0 "[ . 1 . 2]" 1
1292 2 14 LYS HG3 2 17 MET HG2 4.450 . 4.450 3.165 2.635 3.541 . 0 0 "[ . 1 . 2]" 1
1293 1 16 ILE HG12 1 17 MET HG2 5.120 . 5.120 4.223 3.875 4.507 . 0 0 "[ . 1 . 2]" 1
1294 2 16 ILE HG12 2 17 MET HG2 5.120 . 5.120 4.191 3.970 4.410 . 0 0 "[ . 1 . 2]" 1
1295 1 11 LYS QE 1 11 LYS QG 3.240 . 3.240 2.284 2.037 2.819 . 0 0 "[ . 1 . 2]" 1
1296 2 11 LYS QE 2 11 LYS QG 3.240 . 3.240 2.379 2.078 2.851 . 0 0 "[ . 1 . 2]" 1
1297 1 43 ASP HB2 1 46 ARG QG 4.290 . 4.290 2.727 1.716 3.568 . 0 0 "[ . 1 . 2]" 1
1298 2 43 ASP HB2 2 46 ARG QG 4.290 . 4.290 2.858 1.874 3.570 . 0 0 "[ . 1 . 2]" 1
1299 1 41 LYS QE 1 41 LYS QG 3.230 . 3.230 2.146 1.829 2.255 . 0 0 "[ . 1 . 2]" 1
1300 2 41 LYS QE 2 41 LYS QG 3.230 . 3.230 2.148 1.938 2.257 . 0 0 "[ . 1 . 2]" 1
1301 1 61 LYS QE 1 61 LYS HG2 3.230 . 3.230 2.736 2.210 3.270 0.040 4 0 "[ . 1 . 2]" 1
1302 2 61 LYS QE 2 61 LYS HG2 3.230 . 3.230 2.886 2.219 3.281 0.051 11 0 "[ . 1 . 2]" 1
1303 1 14 LYS HG2 1 17 MET HG3 4.520 . 4.520 4.170 2.529 4.524 0.004 1 0 "[ . 1 . 2]" 1
1304 2 14 LYS HG2 2 17 MET HG3 4.520 . 4.520 4.242 2.682 4.545 0.025 19 0 "[ . 1 . 2]" 1
1305 1 42 LYS QE 1 42 LYS QG 3.280 . 3.280 2.303 2.101 2.742 . 0 0 "[ . 1 . 2]" 1
1306 2 42 LYS QE 2 42 LYS QG 3.280 . 3.280 2.274 2.095 2.660 . 0 0 "[ . 1 . 2]" 1
1307 1 52 LYS QE 1 52 LYS HG3 3.170 . 3.170 2.661 2.395 3.233 0.063 11 0 "[ . 1 . 2]" 1
1308 2 52 LYS QE 2 52 LYS HG3 3.170 . 3.170 2.741 2.459 3.251 0.081 3 0 "[ . 1 . 2]" 1
1309 1 51 GLU HB2 1 54 ASP HB3 4.590 . 4.590 3.674 2.929 4.683 0.093 2 0 "[ . 1 . 2]" 1
1310 2 51 GLU HB2 2 54 ASP HB3 4.590 . 4.590 4.060 2.917 4.663 0.073 19 0 "[ . 1 . 2]" 1
1311 1 39 ALA MB 2 67 GLN HB3 5.500 . 5.500 4.947 4.185 5.533 0.033 15 0 "[ . 1 . 2]" 1
1312 1 67 GLN HB3 2 39 ALA MB 5.500 . 5.500 5.084 4.009 5.476 . 0 0 "[ . 1 . 2]" 1
1313 1 59 THR MG 2 60 VAL HB 5.500 . 5.500 5.631 5.552 5.778 0.278 5 0 "[ . 1 . 2]" 1
1314 1 60 VAL HB 2 59 THR MG 5.500 . 5.500 5.611 5.501 5.711 0.211 5 0 "[ . 1 . 2]" 1
1315 1 39 ALA MB 2 67 GLN HG3 4.500 . 4.500 3.482 2.701 4.290 . 0 0 "[ . 1 . 2]" 1
1316 1 67 GLN HG3 2 39 ALA MB 4.500 . 4.500 3.590 2.456 4.583 0.083 15 0 "[ . 1 . 2]" 1
1317 1 57 GLU HG3 1 60 VAL MG1 5.230 . 5.230 4.870 4.227 5.328 0.098 2 0 "[ . 1 . 2]" 1
1318 2 57 GLU HG3 2 60 VAL MG1 5.230 . 5.230 4.717 3.954 5.154 . 0 0 "[ . 1 . 2]" 1
1319 1 60 VAL MG1 2 31 GLN QB 5.400 . 5.400 3.338 2.959 3.616 . 0 0 "[ . 1 . 2]" 1
1320 1 31 GLN QB 2 60 VAL MG1 5.400 . 5.400 3.379 3.053 3.635 . 0 0 "[ . 1 . 2]" 1
1321 1 57 GLU HB2 1 60 VAL MG1 5.500 . 5.500 5.306 3.998 5.551 0.051 14 0 "[ . 1 . 2]" 1
1322 2 57 GLU HB2 2 60 VAL MG1 5.500 . 5.500 5.441 5.263 5.530 0.030 16 0 "[ . 1 . 2]" 1
1323 1 16 ILE HG13 1 19 LYS QE 4.160 . 4.160 3.340 2.369 3.960 . 0 0 "[ . 1 . 2]" 1
1324 2 16 ILE HG13 2 19 LYS QE 4.160 . 4.160 3.479 2.587 4.178 0.018 14 0 "[ . 1 . 2]" 1
1325 1 34 THR MG 1 38 ASP HB3 5.260 . 5.260 4.559 4.077 5.048 . 0 0 "[ . 1 . 2]" 1
1326 2 34 THR MG 2 38 ASP HB3 5.260 . 5.260 4.626 4.110 5.330 0.070 9 0 "[ . 1 . 2]" 1
1327 1 38 ASP HB3 1 39 ALA MB 5.500 . 5.500 3.809 3.534 4.673 . 0 0 "[ . 1 . 2]" 1
1328 2 38 ASP HB3 2 39 ALA MB 5.500 . 5.500 3.848 3.396 4.730 . 0 0 "[ . 1 . 2]" 1
1329 1 33 LYS QE 1 34 THR MG 4.880 . 4.880 4.713 3.834 4.970 0.090 6 0 "[ . 1 . 2]" 1
1330 2 33 LYS QE 2 34 THR MG 4.880 . 4.880 4.688 3.926 4.980 0.100 16 0 "[ . 1 . 2]" 1
1331 1 60 VAL MG1 2 31 GLN HG2 4.490 . 4.490 3.694 3.396 3.965 . 0 0 "[ . 1 . 2]" 1
1332 1 31 GLN HG2 2 60 VAL MG1 4.490 . 4.490 3.696 3.443 3.901 . 0 0 "[ . 1 . 2]" 1
1333 1 16 ILE MG 1 17 MET HG2 4.420 . 4.420 2.180 1.943 2.331 . 0 0 "[ . 1 . 2]" 1
1334 2 16 ILE MG 2 17 MET HG2 4.420 . 4.420 2.151 2.009 2.299 . 0 0 "[ . 1 . 2]" 1
1335 1 16 ILE MG 1 17 MET HB2 4.010 . 4.010 3.800 3.723 4.017 0.007 6 0 "[ . 1 . 2]" 1
1336 2 16 ILE MG 2 17 MET HB2 4.010 . 4.010 3.801 3.651 3.891 . 0 0 "[ . 1 . 2]" 1
1337 1 25 ILE MG 2 52 LYS HG3 3.310 . 3.310 3.355 3.290 3.405 0.095 9 0 "[ . 1 . 2]" 1
1338 1 52 LYS HG3 2 25 ILE MG 3.310 . 3.310 3.354 3.325 3.426 0.116 10 0 "[ . 1 . 2]" 1
1339 1 29 LEU MD1 1 52 LYS HG3 3.630 . 3.630 2.700 2.245 3.063 . 0 0 "[ . 1 . 2]" 1
1340 2 29 LEU MD1 2 52 LYS HG3 3.630 . 3.630 2.651 2.166 3.063 . 0 0 "[ . 1 . 2]" 1
1341 1 50 LEU HB2 1 55 ILE QG 3.910 . 3.910 3.452 2.942 4.092 0.182 14 0 "[ . 1 . 2]" 1
1342 2 50 LEU HB2 2 55 ILE QG 3.910 . 3.910 3.430 3.052 3.996 0.086 14 0 "[ . 1 . 2]" 1
1343 1 16 ILE MD 1 16 ILE MG 2.400 . 2.400 1.913 1.880 1.953 . 0 0 "[ . 1 . 2]" 1
1344 2 16 ILE MD 2 16 ILE MG 2.400 . 2.400 1.906 1.799 1.958 . 0 0 "[ . 1 . 2]" 1
1345 1 16 ILE HG13 1 16 ILE MG 3.290 . 3.290 3.217 3.205 3.228 . 0 0 "[ . 1 . 2]" 1
1346 2 16 ILE HG13 2 16 ILE MG 3.290 . 3.290 3.218 3.204 3.229 . 0 0 "[ . 1 . 2]" 1
1347 1 40 LEU QB 1 42 LYS QG 3.100 . 3.100 2.365 1.953 2.791 . 0 0 "[ . 1 . 2]" 1
1348 2 40 LEU QB 2 42 LYS QG 3.100 . 3.100 2.355 2.077 2.748 . 0 0 "[ . 1 . 2]" 1
1349 1 60 VAL MG1 2 32 LEU QB 3.830 . 3.830 3.665 3.444 3.838 0.008 8 0 "[ . 1 . 2]" 1
1350 1 32 LEU QB 2 60 VAL MG1 3.830 . 3.830 3.701 3.332 3.883 0.053 2 0 "[ . 1 . 2]" 1
1351 1 39 ALA MB 1 40 LEU HG 4.000 . 4.000 3.455 2.206 4.027 0.027 2 0 "[ . 1 . 2]" 1
1352 2 39 ALA MB 2 40 LEU HG 4.000 . 4.000 3.663 2.449 4.067 0.067 19 0 "[ . 1 . 2]" 1
1353 1 11 LYS QD 1 11 LYS QG 2.400 . 2.400 2.055 1.997 2.094 . 0 0 "[ . 1 . 2]" 1
1354 2 11 LYS QD 2 11 LYS QG 2.400 . 2.400 2.043 1.967 2.102 . 0 0 "[ . 1 . 2]" 1
1355 1 60 VAL MG1 1 61 LYS HG2 3.900 . 3.900 3.861 3.341 3.953 0.053 5 0 "[ . 1 . 2]" 1
1356 2 60 VAL MG1 2 61 LYS HG2 3.900 . 3.900 3.912 3.719 3.966 0.066 13 0 "[ . 1 . 2]" 1
1357 1 53 ALA MB 2 25 ILE MD 3.430 . 3.430 3.294 3.081 3.460 0.030 13 0 "[ . 1 . 2]" 1
1358 1 25 ILE MD 2 53 ALA MB 3.430 . 3.430 3.320 3.169 3.456 0.026 8 0 "[ . 1 . 2]" 1
1359 1 32 LEU MD1 1 59 THR MG 2.940 . 2.940 2.337 2.092 2.859 . 0 0 "[ . 1 . 2]" 1
1360 2 32 LEU MD1 2 59 THR MG 2.940 . 2.940 2.248 1.917 2.710 . 0 0 "[ . 1 . 2]" 1
1361 1 32 LEU MD2 1 59 THR MG 2.940 . 2.940 2.421 1.708 2.906 . 0 0 "[ . 1 . 2]" 1
1362 2 32 LEU MD2 2 59 THR MG 2.940 . 2.940 2.472 1.680 2.891 . 0 0 "[ . 1 . 2]" 1
1363 1 36 ILE MD 1 59 THR MG 3.260 . 3.260 1.932 1.876 2.008 . 0 0 "[ . 1 . 2]" 1
1364 2 36 ILE MD 2 59 THR MG 3.260 . 3.260 1.946 1.858 2.061 . 0 0 "[ . 1 . 2]" 1
1365 1 67 GLN HB3 2 66 LEU MD1 4.930 . 4.930 4.686 4.480 4.935 0.005 8 0 "[ . 1 . 2]" 1
1366 1 66 LEU MD1 2 67 GLN HB3 4.930 . 4.930 4.752 4.499 4.984 0.054 15 0 "[ . 1 . 2]" 1
1367 1 67 GLN HB3 2 66 LEU MD2 4.820 . 4.820 4.692 4.334 4.843 0.023 8 0 "[ . 1 . 2]" 1
1368 1 66 LEU MD2 2 67 GLN HB3 4.820 . 4.820 4.747 4.574 4.862 0.042 5 0 "[ . 1 . 2]" 1
1369 1 67 GLN HB2 2 66 LEU MD2 4.900 . 4.900 4.846 4.533 4.947 0.047 10 0 "[ . 1 . 2]" 1
1370 1 66 LEU MD2 2 67 GLN HB2 4.900 . 4.900 4.873 4.619 4.959 0.059 3 0 "[ . 1 . 2]" 1
1371 1 67 GLN HB2 2 66 LEU MD1 4.540 . 4.540 4.163 3.942 4.416 . 0 0 "[ . 1 . 2]" 1
1372 1 66 LEU MD1 2 67 GLN HB2 4.540 . 4.540 4.219 3.905 4.408 . 0 0 "[ . 1 . 2]" 1
1373 1 55 ILE HB 1 55 ILE MD 3.280 . 3.280 2.346 2.234 2.402 . 0 0 "[ . 1 . 2]" 1
1374 2 55 ILE HB 2 55 ILE MD 3.280 . 3.280 2.338 2.305 2.388 . 0 0 "[ . 1 . 2]" 1
1375 1 29 LEU HB3 1 29 LEU MD1 3.060 . 3.060 2.417 2.376 2.472 . 0 0 "[ . 1 . 2]" 1
1376 2 29 LEU HB3 2 29 LEU MD1 3.060 . 3.060 2.418 2.392 2.484 . 0 0 "[ . 1 . 2]" 1
1377 1 52 LYS QB 2 25 ILE MD 2.570 . 2.570 2.347 2.149 2.497 . 0 0 "[ . 1 . 2]" 1
1378 1 25 ILE MD 2 52 LYS QB 2.570 . 2.570 2.300 2.113 2.464 . 0 0 "[ . 1 . 2]" 1
1379 1 25 ILE HB 1 25 ILE MD 3.270 . 3.270 2.406 2.327 2.452 . 0 0 "[ . 1 . 2]" 1
1380 2 25 ILE HB 2 25 ILE MD 3.270 . 3.270 2.403 2.374 2.426 . 0 0 "[ . 1 . 2]" 1
1381 1 36 ILE HB 1 36 ILE MD 3.410 . 3.410 3.239 3.228 3.255 . 0 0 "[ . 1 . 2]" 1
1382 2 36 ILE HB 2 36 ILE MD 3.410 . 3.410 3.237 3.217 3.259 . 0 0 "[ . 1 . 2]" 1
1383 1 66 LEU HB3 1 66 LEU MD2 3.230 . 3.230 2.292 2.228 2.331 . 0 0 "[ . 1 . 2]" 1
1384 2 66 LEU HB3 2 66 LEU MD2 3.230 . 3.230 2.316 2.233 2.369 . 0 0 "[ . 1 . 2]" 1
1385 1 66 LEU HB3 1 66 LEU MD1 3.350 . 3.350 2.424 2.341 2.478 . 0 0 "[ . 1 . 2]" 1
1386 2 66 LEU HB3 2 66 LEU MD1 3.350 . 3.350 2.402 2.325 2.472 . 0 0 "[ . 1 . 2]" 1
1387 1 40 LEU QB 1 40 LEU MD1 3.070 . 3.070 2.184 2.061 2.314 . 0 0 "[ . 1 . 2]" 1
1388 2 40 LEU QB 2 40 LEU MD1 3.070 . 3.070 2.205 2.061 2.335 . 0 0 "[ . 1 . 2]" 1
1389 1 40 LEU QB 1 40 LEU MD2 3.070 . 3.070 2.161 2.044 2.419 . 0 0 "[ . 1 . 2]" 1
1390 2 40 LEU QB 2 40 LEU MD2 3.070 . 3.070 2.159 2.065 2.442 . 0 0 "[ . 1 . 2]" 1
1391 1 21 ARG HG2 1 25 ILE MD 2.610 . 2.610 2.169 1.993 2.483 . 0 0 "[ . 1 . 2]" 1
1392 2 21 ARG HG2 2 25 ILE MD 2.610 . 2.610 2.105 1.945 2.405 . 0 0 "[ . 1 . 2]" 1
1393 1 29 LEU HB2 1 29 LEU MD1 2.740 . 2.740 2.268 2.227 2.306 . 0 0 "[ . 1 . 2]" 1
1394 2 29 LEU HB2 2 29 LEU MD1 2.740 . 2.740 2.261 2.205 2.322 . 0 0 "[ . 1 . 2]" 1
1395 1 52 LYS HG2 2 25 ILE MG 2.820 . 2.820 2.100 1.931 2.262 . 0 0 "[ . 1 . 2]" 1
1396 1 25 ILE MG 2 52 LYS HG2 2.820 . 2.820 2.102 1.940 2.298 . 0 0 "[ . 1 . 2]" 1
1397 1 51 GLU HB2 1 53 ALA MB 3.830 . 3.830 3.490 2.925 3.880 0.050 10 0 "[ . 1 . 2]" 1
1398 2 51 GLU HB2 2 53 ALA MB 3.830 . 3.830 3.391 2.950 3.689 . 0 0 "[ . 1 . 2]" 1
1399 1 60 VAL MG1 1 61 LYS QB 4.870 . 4.870 4.726 4.459 4.822 . 0 0 "[ . 1 . 2]" 1
1400 2 60 VAL MG1 2 61 LYS QB 4.870 . 4.870 4.773 4.648 4.860 . 0 0 "[ . 1 . 2]" 1
1401 1 36 ILE HB 1 59 THR MG 4.400 . 4.400 4.276 4.116 4.416 0.016 2 0 "[ . 1 . 2]" 1
1402 2 36 ILE HB 2 59 THR MG 4.400 . 4.400 4.279 4.121 4.423 0.023 2 0 "[ . 1 . 2]" 1
1403 1 57 GLU HB2 1 61 LYS HG3 4.650 . 4.650 4.404 3.887 4.822 0.172 10 0 "[ . 1 . 2]" 1
1404 2 57 GLU HB2 2 61 LYS HG3 4.650 . 4.650 4.525 4.306 4.660 0.010 4 0 "[ . 1 . 2]" 1
1405 1 57 GLU HB2 1 61 LYS HG2 5.260 . 5.260 5.218 4.090 5.421 0.161 19 0 "[ . 1 . 2]" 1
1406 2 57 GLU HB2 2 61 LYS HG2 5.260 . 5.260 5.393 5.357 5.419 0.159 4 0 "[ . 1 . 2]" 1
1407 1 57 GLU HB2 1 61 LYS QD 4.970 . 4.970 4.874 4.259 5.070 0.100 8 0 "[ . 1 . 2]" 1
1408 2 57 GLU HB2 2 61 LYS QD 4.970 . 4.970 4.821 4.565 5.062 0.092 7 0 "[ . 1 . 2]" 1
1409 1 60 VAL HB 2 32 LEU QB 4.740 . 4.740 4.546 4.410 4.710 . 0 0 "[ . 1 . 2]" 1
1410 1 32 LEU QB 2 60 VAL HB 4.740 . 4.740 4.555 4.396 4.773 0.033 2 0 "[ . 1 . 2]" 1
1411 1 66 LEU HB3 1 67 GLN HG2 5.170 . 5.170 4.577 4.328 5.169 . 0 0 "[ . 1 . 2]" 1
1412 2 66 LEU HB3 2 67 GLN HG2 5.170 . 5.170 4.561 4.247 4.864 . 0 0 "[ . 1 . 2]" 1
1413 1 67 GLN HG2 2 66 LEU HB3 5.460 . 5.460 4.877 4.481 5.283 . 0 0 "[ . 1 . 2]" 1
1414 1 66 LEU HB3 2 67 GLN HG2 5.460 . 5.460 4.879 4.177 5.306 . 0 0 "[ . 1 . 2]" 1
1415 1 67 GLN HG2 2 66 LEU MD2 4.710 . 4.710 3.038 2.294 3.296 . 0 0 "[ . 1 . 2]" 1
1416 1 66 LEU MD2 2 67 GLN HG2 4.710 . 4.710 3.050 2.701 3.252 . 0 0 "[ . 1 . 2]" 1
1417 1 67 GLN HG2 2 66 LEU HG 4.900 . 4.900 4.710 4.255 4.914 0.014 1 0 "[ . 1 . 2]" 1
1418 1 66 LEU HG 2 67 GLN HG2 4.900 . 4.900 4.763 4.399 4.929 0.029 5 0 "[ . 1 . 2]" 1
1419 1 31 GLN HG3 2 60 VAL MG1 4.620 . 4.620 2.172 1.923 2.410 . 0 0 "[ . 1 . 2]" 1
1420 1 60 VAL MG1 2 31 GLN HG3 4.620 . 4.620 2.168 1.900 2.405 . 0 0 "[ . 1 . 2]" 1
1421 1 31 GLN HG3 2 60 VAL MG2 3.870 . 3.870 2.563 2.270 2.797 . 0 0 "[ . 1 . 2]" 1
1422 1 60 VAL MG2 2 31 GLN HG3 3.870 . 3.870 2.549 2.237 2.826 . 0 0 "[ . 1 . 2]" 1
1423 1 51 GLU HB3 1 53 ALA MB 4.530 . 4.530 3.646 2.947 4.239 . 0 0 "[ . 1 . 2]" 1
1424 2 51 GLU HB3 2 53 ALA MB 4.530 . 4.530 3.593 3.055 4.110 . 0 0 "[ . 1 . 2]" 1
1425 1 49 LYS QG 1 51 GLU HG3 5.090 . 5.090 4.892 4.097 5.152 0.062 1 0 "[ . 1 . 2]" 1
1426 2 49 LYS QG 2 51 GLU HG3 5.090 . 5.090 4.673 3.581 5.182 0.092 2 0 "[ . 1 . 2]" 1
1427 1 49 LYS QG 1 51 GLU HG2 5.090 . 5.090 4.361 3.885 5.165 0.075 19 0 "[ . 1 . 2]" 1
1428 2 49 LYS QG 2 51 GLU HG2 5.090 . 5.090 4.508 3.828 5.182 0.092 14 0 "[ . 1 . 2]" 1
1429 1 67 GLN HG3 2 66 LEU MD2 4.330 . 4.330 4.208 3.621 4.356 0.026 20 0 "[ . 1 . 2]" 1
1430 1 66 LEU MD2 2 67 GLN HG3 4.330 . 4.330 4.233 3.712 4.396 0.066 6 0 "[ . 1 . 2]" 1
1431 1 57 GLU HG3 1 61 LYS QD 3.620 . 3.620 2.994 2.063 3.533 . 0 0 "[ . 1 . 2]" 1
1432 2 57 GLU HG3 2 61 LYS QD 3.620 . 3.620 2.970 2.594 3.347 . 0 0 "[ . 1 . 2]" 1
1433 1 29 LEU MD1 1 52 LYS QE 3.900 . 3.900 2.469 1.907 3.946 0.046 12 0 "[ . 1 . 2]" 1
1434 2 29 LEU MD1 2 52 LYS QE 3.900 . 3.900 2.515 1.902 3.826 . 0 0 "[ . 1 . 2]" 1
1435 1 36 ILE MG 1 42 LYS QE 3.900 . 3.900 3.682 2.513 3.999 0.099 9 0 "[ . 1 . 2]" 1
1436 2 36 ILE MG 2 42 LYS QE 3.900 . 3.900 3.754 2.488 3.979 0.079 1 0 "[ . 1 . 2]" 1
1437 1 65 ASN HB2 1 66 LEU HG 4.180 . 4.180 3.274 2.926 3.522 . 0 0 "[ . 1 . 2]" 1
1438 2 65 ASN HB2 2 66 LEU HG 4.180 . 4.180 3.206 2.883 3.397 . 0 0 "[ . 1 . 2]" 1
1439 1 65 ASN HB2 1 66 LEU MD2 4.740 . 4.740 4.207 3.852 4.655 . 0 0 "[ . 1 . 2]" 1
1440 2 65 ASN HB2 2 66 LEU MD2 4.740 . 4.740 4.074 3.794 4.505 . 0 0 "[ . 1 . 2]" 1
1441 1 65 ASN HB2 1 66 LEU MD1 4.610 . 4.610 4.586 4.289 4.675 0.065 15 0 "[ . 1 . 2]" 1
1442 2 65 ASN HB2 2 66 LEU MD1 4.610 . 4.610 4.569 4.294 4.671 0.061 1 0 "[ . 1 . 2]" 1
1443 1 43 ASP HB3 1 46 ARG QG 4.370 . 4.370 2.104 1.732 3.131 . 0 0 "[ . 1 . 2]" 1
1444 2 43 ASP HB3 2 46 ARG QG 4.370 . 4.370 2.087 1.750 3.134 . 0 0 "[ . 1 . 2]" 1
1445 1 38 ASP HB3 1 41 LYS QG 4.540 . 4.540 4.639 4.465 4.782 0.242 14 0 "[ . 1 . 2]" 1
1446 2 38 ASP HB3 2 41 LYS QG 4.540 . 4.540 4.618 4.468 4.701 0.161 12 0 "[ . 1 . 2]" 1
1447 1 43 ASP HB3 1 46 ARG QB 4.540 . 4.540 3.417 2.935 4.562 0.022 13 0 "[ . 1 . 2]" 1
1448 2 43 ASP HB3 2 46 ARG QB 4.540 . 4.540 3.421 2.531 4.050 . 0 0 "[ . 1 . 2]" 1
1449 1 42 LYS QG 1 58 MET HG3 5.290 . 5.290 5.035 4.022 5.355 0.065 11 0 "[ . 1 . 2]" 1
1450 2 42 LYS QG 2 58 MET HG3 5.290 . 5.290 5.138 3.225 5.391 0.101 4 0 "[ . 1 . 2]" 1
1451 1 14 LYS HG2 1 17 MET HG2 4.820 . 4.820 4.399 2.964 4.830 0.010 15 0 "[ . 1 . 2]" 1
1452 2 14 LYS HG2 2 17 MET HG2 4.820 . 4.820 4.404 2.177 4.824 0.004 9 0 "[ . 1 . 2]" 1
1453 1 31 GLN HG2 2 60 VAL MG2 3.920 . 3.920 3.463 3.144 3.831 . 0 0 "[ . 1 . 2]" 1
1454 1 60 VAL MG2 2 31 GLN HG2 3.920 . 3.920 3.455 3.209 3.633 . 0 0 "[ . 1 . 2]" 1
1455 1 31 GLN HG2 1 32 LEU QB 4.510 . 4.510 3.898 3.717 4.105 . 0 0 "[ . 1 . 2]" 1
1456 2 31 GLN HG2 2 32 LEU QB 4.510 . 4.510 3.907 3.618 4.139 . 0 0 "[ . 1 . 2]" 1
1457 1 38 ASP HB2 1 41 LYS QG 5.260 . 5.260 4.925 4.513 5.480 0.220 4 0 "[ . 1 . 2]" 1
1458 2 38 ASP HB2 2 41 LYS QG 5.260 . 5.260 4.946 4.582 5.482 0.222 10 0 "[ . 1 . 2]" 1
1459 1 34 THR MG 1 38 ASP HB2 4.370 . 4.370 3.461 2.989 4.085 . 0 0 "[ . 1 . 2]" 1
1460 2 34 THR MG 2 38 ASP HB2 4.370 . 4.370 3.563 3.028 4.176 . 0 0 "[ . 1 . 2]" 1
1461 1 38 ASP HB2 1 39 ALA MB 4.980 . 4.980 4.868 4.101 5.039 0.059 9 0 "[ . 1 . 2]" 1
1462 2 38 ASP HB2 2 39 ALA MB 4.980 . 4.980 4.814 4.106 5.053 0.073 8 0 "[ . 1 . 2]" 1
1463 1 14 LYS HG3 1 17 MET HG3 4.380 . 4.380 2.996 2.676 4.243 . 0 0 "[ . 1 . 2]" 1
1464 2 14 LYS HG3 2 17 MET HG3 4.380 . 4.380 3.026 2.711 3.867 . 0 0 "[ . 1 . 2]" 1
1465 1 57 GLU HG2 1 61 LYS HG2 5.280 . 5.280 3.929 2.648 5.337 0.057 2 0 "[ . 1 . 2]" 1
1466 2 57 GLU HG2 2 61 LYS HG2 5.280 . 5.280 3.577 2.850 4.565 . 0 0 "[ . 1 . 2]" 1
1467 1 42 LYS QG 1 58 MET HG2 5.290 . 5.290 4.942 3.329 5.399 0.109 19 0 "[ . 1 . 2]" 1
1468 2 42 LYS QG 2 58 MET HG2 5.290 . 5.290 4.998 3.839 5.340 0.050 8 0 "[ . 1 . 2]" 1
1469 1 16 ILE MG 1 17 MET HG3 4.070 . 4.070 3.742 3.485 3.848 . 0 0 "[ . 1 . 2]" 1
1470 2 16 ILE MG 2 17 MET HG3 4.070 . 4.070 3.706 3.554 3.882 . 0 0 "[ . 1 . 2]" 1
1471 1 60 VAL HA 2 59 THR MG 4.700 . 4.700 3.728 3.466 3.889 . 0 0 "[ . 1 . 2]" 1
1472 1 59 THR MG 2 60 VAL HA 4.700 . 4.700 3.763 3.544 4.009 . 0 0 "[ . 1 . 2]" 1
1473 1 60 VAL HA 1 60 VAL MG2 3.530 . 3.530 2.436 2.353 2.641 . 0 0 "[ . 1 . 2]" 1
1474 2 60 VAL HA 2 60 VAL MG2 3.530 . 3.530 2.424 2.377 2.469 . 0 0 "[ . 1 . 2]" 1
1475 1 60 VAL HA 2 36 ILE MD 4.690 . 4.690 4.472 3.843 4.744 0.054 2 0 "[ . 1 . 2]" 1
1476 1 36 ILE MD 2 60 VAL HA 4.690 . 4.690 4.562 4.061 4.759 0.069 12 0 "[ . 1 . 2]" 1
1477 1 21 ARG QD 1 25 ILE MD 3.610 . 3.610 2.785 2.380 3.367 . 0 0 "[ . 1 . 2]" 1
1478 2 21 ARG QD 2 25 ILE MD 3.610 . 3.610 2.640 2.200 3.537 . 0 0 "[ . 1 . 2]" 1
1479 1 21 ARG QD 2 53 ALA MB 4.430 . 4.430 4.013 3.301 4.438 0.008 12 0 "[ . 1 . 2]" 1
1480 1 53 ALA MB 2 21 ARG QD 4.430 . 4.430 4.156 3.638 4.467 0.037 12 0 "[ . 1 . 2]" 1
1481 1 36 ILE MD 1 62 HIS HB3 3.970 . 3.970 2.570 2.103 3.284 . 0 0 "[ . 1 . 2]" 1
1482 2 36 ILE MD 2 62 HIS HB3 3.970 . 3.970 2.418 2.105 3.341 . 0 0 "[ . 1 . 2]" 1
1483 1 68 ARG QD 1 69 ALA MB 4.190 . 4.190 3.386 2.370 4.111 . 0 0 "[ . 1 . 2]" 1
1484 2 68 ARG QD 2 69 ALA MB 4.190 . 4.190 3.337 2.594 3.930 . 0 0 "[ . 1 . 2]" 1
1485 1 16 ILE MG 1 20 ARG QD 3.740 . 3.740 3.705 3.399 3.809 0.069 13 0 "[ . 1 . 2]" 1
1486 2 16 ILE MG 2 20 ARG QD 3.740 . 3.740 3.709 3.464 3.786 0.046 19 0 "[ . 1 . 2]" 1
1487 1 37 LEU MD1 1 46 ARG QD 4.670 . 4.670 3.952 1.942 4.690 0.020 15 0 "[ . 1 . 2]" 1
1488 2 37 LEU MD1 2 46 ARG QD 4.670 . 4.670 3.691 2.314 4.491 . 0 0 "[ . 1 . 2]" 1
1489 1 36 ILE MD 1 62 HIS HB2 3.970 . 3.970 2.819 2.185 3.370 . 0 0 "[ . 1 . 2]" 1
1490 2 36 ILE MD 2 62 HIS HB2 3.970 . 3.970 2.959 2.618 3.425 . 0 0 "[ . 1 . 2]" 1
1491 1 65 ASN HB3 1 66 LEU HG 4.360 . 4.360 4.224 3.817 4.374 0.014 11 0 "[ . 1 . 2]" 1
1492 2 65 ASN HB3 2 66 LEU HG 4.360 . 4.360 4.230 3.926 4.376 0.016 8 0 "[ . 1 . 2]" 1
1493 1 37 LEU MD2 1 46 ARG QD 4.670 . 4.670 3.034 2.114 4.626 . 0 0 "[ . 1 . 2]" 1
1494 2 37 LEU MD2 2 46 ARG QD 4.670 . 4.670 2.770 1.960 4.105 . 0 0 "[ . 1 . 2]" 1
1495 1 49 LYS HA 1 49 LYS QD 3.280 . 3.280 2.756 2.485 3.428 0.148 19 0 "[ . 1 . 2]" 1
1496 2 49 LYS HA 2 49 LYS QD 3.280 . 3.280 2.880 2.464 3.464 0.184 18 0 "[ . 1 . 2]" 1
1497 1 16 ILE HG12 1 17 MET HA 3.640 . 3.640 3.512 3.353 3.654 0.014 16 0 "[ . 1 . 2]" 1
1498 2 16 ILE HG12 2 17 MET HA 3.640 . 3.640 3.535 3.399 3.661 0.021 17 0 "[ . 1 . 2]" 1
1499 1 16 ILE HG13 1 17 MET HA 5.350 . 5.350 4.984 4.830 5.130 . 0 0 "[ . 1 . 2]" 1
1500 2 16 ILE HG13 2 17 MET HA 5.350 . 5.350 4.997 4.813 5.128 . 0 0 "[ . 1 . 2]" 1
1501 1 11 LYS HA 1 11 LYS QD 3.830 . 3.830 2.540 1.960 3.935 0.105 12 0 "[ . 1 . 2]" 1
1502 2 11 LYS HA 2 11 LYS QD 3.830 . 3.830 2.664 1.913 3.959 0.129 7 0 "[ . 1 . 2]" 1
1503 1 39 ALA MB 1 40 LEU HA 3.960 . 3.960 3.895 3.719 4.004 0.044 14 0 "[ . 1 . 2]" 1
1504 2 39 ALA MB 2 40 LEU HA 3.960 . 3.960 3.885 3.729 3.988 0.028 9 0 "[ . 1 . 2]" 1
1505 1 20 ARG HA 1 20 ARG HG2 3.160 . 3.160 2.631 2.603 2.666 . 0 0 "[ . 1 . 2]" 1
1506 2 20 ARG HA 2 20 ARG HG2 3.160 . 3.160 2.627 2.561 2.666 . 0 0 "[ . 1 . 2]" 1
1507 1 34 THR HB 2 60 VAL MG1 5.500 . 5.500 5.515 5.352 5.597 0.097 10 0 "[ . 1 . 2]" 1
1508 1 60 VAL MG1 2 34 THR HB 5.500 . 5.500 5.497 5.136 5.581 0.081 10 0 "[ . 1 . 2]" 1
1509 1 31 GLN HA 2 60 VAL MG1 5.500 . 5.500 4.926 4.719 5.228 . 0 0 "[ . 1 . 2]" 1
1510 1 60 VAL MG1 2 31 GLN HA 5.500 . 5.500 4.893 4.523 5.112 . 0 0 "[ . 1 . 2]" 1
1511 1 41 LYS HA 1 41 LYS QG 3.550 . 3.550 2.435 2.181 2.827 . 0 0 "[ . 1 . 2]" 1
1512 2 41 LYS HA 2 41 LYS QG 3.550 . 3.550 2.477 2.248 2.785 . 0 0 "[ . 1 . 2]" 1
1513 1 66 LEU HA 1 69 ALA MB 3.860 . 3.860 2.694 2.080 4.045 0.185 9 0 "[ . 1 . 2]" 1
1514 2 66 LEU HA 2 69 ALA MB 3.860 . 3.860 2.663 2.091 3.602 . 0 0 "[ . 1 . 2]" 1
1515 1 37 LEU MD1 1 41 LYS HA 4.940 . 4.940 2.794 2.182 3.757 . 0 0 "[ . 1 . 2]" 1
1516 2 37 LEU MD1 2 41 LYS HA 4.940 . 4.940 2.911 2.325 4.960 0.020 12 0 "[ . 1 . 2]" 1
1517 1 66 LEU HA 1 66 LEU MD2 3.040 . 3.040 2.082 2.001 2.244 . 0 0 "[ . 1 . 2]" 1
1518 2 66 LEU HA 2 66 LEU MD2 3.040 . 3.040 2.079 1.998 2.148 . 0 0 "[ . 1 . 2]" 1
1519 1 16 ILE HA 1 16 ILE HG12 3.820 . 3.820 3.137 3.064 3.211 . 0 0 "[ . 1 . 2]" 1
1520 2 16 ILE HA 2 16 ILE HG12 3.820 . 3.820 3.135 3.077 3.226 . 0 0 "[ . 1 . 2]" 1
1521 1 16 ILE HA 1 16 ILE HG13 3.480 . 3.480 2.569 2.478 2.660 . 0 0 "[ . 1 . 2]" 1
1522 2 16 ILE HA 2 16 ILE HG13 3.480 . 3.480 2.558 2.518 2.608 . 0 0 "[ . 1 . 2]" 1
1523 1 29 LEU HA 1 32 LEU QB 3.620 . 3.620 2.236 1.968 2.511 . 0 0 "[ . 1 . 2]" 1
1524 2 29 LEU HA 2 32 LEU QB 3.620 . 3.620 2.261 2.059 2.546 . 0 0 "[ . 1 . 2]" 1
1525 1 22 ARG HA 1 25 ILE MD 2.920 . 2.920 1.848 1.783 1.979 . 0 0 "[ . 1 . 2]" 1
1526 2 22 ARG HA 2 25 ILE MD 2.920 . 2.920 1.862 1.772 2.008 . 0 0 "[ . 1 . 2]" 1
1527 1 36 ILE HA 1 39 ALA MB 3.960 . 3.960 2.909 2.583 3.321 . 0 0 "[ . 1 . 2]" 1
1528 2 36 ILE HA 2 39 ALA MB 3.960 . 3.960 2.911 2.551 3.310 . 0 0 "[ . 1 . 2]" 1
1529 1 36 ILE HA 1 36 ILE MG 3.120 . 3.120 2.565 2.480 2.695 . 0 0 "[ . 1 . 2]" 1
1530 2 36 ILE HA 2 36 ILE MG 3.120 . 3.120 2.549 2.400 2.678 . 0 0 "[ . 1 . 2]" 1
1531 1 57 GLU HA 1 60 VAL MG2 3.260 . 3.260 2.617 2.237 2.990 . 0 0 "[ . 1 . 2]" 1
1532 2 57 GLU HA 2 60 VAL MG2 3.260 . 3.260 2.668 2.413 3.012 . 0 0 "[ . 1 . 2]" 1
1533 1 36 ILE HA 1 36 ILE MD 3.390 . 3.390 1.952 1.905 2.057 . 0 0 "[ . 1 . 2]" 1
1534 2 36 ILE HA 2 36 ILE MD 3.390 . 3.390 1.945 1.884 2.008 . 0 0 "[ . 1 . 2]" 1
1535 1 37 LEU HA 1 37 LEU MD1 3.330 . 3.330 2.559 1.896 2.859 . 0 0 "[ . 1 . 2]" 1
1536 2 37 LEU HA 2 37 LEU MD1 3.330 . 3.330 2.638 1.949 3.396 0.066 12 0 "[ . 1 . 2]" 1
1537 1 21 ARG HA 1 21 ARG HG2 3.530 . 3.530 3.050 2.915 3.151 . 0 0 "[ . 1 . 2]" 1
1538 2 21 ARG HA 2 21 ARG HG2 3.530 . 3.530 2.990 2.783 3.190 . 0 0 "[ . 1 . 2]" 1
1539 1 52 LYS HG2 1 53 ALA HA 3.910 . 3.910 3.668 3.415 3.878 . 0 0 "[ . 1 . 2]" 1
1540 2 52 LYS HG2 2 53 ALA HA 3.910 . 3.910 3.660 3.418 3.892 . 0 0 "[ . 1 . 2]" 1
1541 1 37 LEU HA 1 37 LEU MD2 3.330 . 3.330 2.282 1.945 3.620 0.290 5 0 "[ . 1 . 2]" 1
1542 2 37 LEU HA 2 37 LEU MD2 3.330 . 3.330 2.199 1.984 3.538 0.208 5 0 "[ . 1 . 2]" 1
1543 1 36 ILE MD 1 59 THR HA 3.420 . 3.420 2.082 1.964 2.491 . 0 0 "[ . 1 . 2]" 1
1544 2 36 ILE MD 2 59 THR HA 3.420 . 3.420 2.066 1.834 2.359 . 0 0 "[ . 1 . 2]" 1
1545 1 59 THR HA 1 59 THR MG 3.690 . 3.690 2.315 2.144 2.375 . 0 0 "[ . 1 . 2]" 1
1546 2 59 THR HA 2 59 THR MG 3.690 . 3.690 2.304 2.129 2.376 . 0 0 "[ . 1 . 2]" 1
1547 1 60 VAL MG1 1 61 LYS HA 4.220 . 4.220 3.464 3.189 3.579 . 0 0 "[ . 1 . 2]" 1
1548 2 60 VAL MG1 2 61 LYS HA 4.220 . 4.220 3.516 3.381 3.677 . 0 0 "[ . 1 . 2]" 1
1549 1 61 LYS HA 1 61 LYS HG3 3.710 . 3.710 3.338 3.206 3.821 0.111 10 0 "[ . 1 . 2]" 1
1550 2 61 LYS HA 2 61 LYS HG3 3.710 . 3.710 3.288 3.220 3.350 . 0 0 "[ . 1 . 2]" 1
1551 1 61 LYS HA 1 61 LYS HG2 3.700 . 3.700 2.580 2.429 2.996 . 0 0 "[ . 1 . 2]" 1
1552 2 61 LYS HA 2 61 LYS HG2 3.700 . 3.700 2.565 2.448 2.673 . 0 0 "[ . 1 . 2]" 1
1553 1 52 LYS HA 1 55 ILE MD 3.240 . 3.240 2.041 1.874 2.247 . 0 0 "[ . 1 . 2]" 1
1554 2 52 LYS HA 2 55 ILE MD 3.240 . 3.240 2.111 1.911 2.391 . 0 0 "[ . 1 . 2]" 1
1555 1 52 LYS HA 1 52 LYS HG2 3.800 . 3.800 3.413 3.200 3.497 . 0 0 "[ . 1 . 2]" 1
1556 2 52 LYS HA 2 52 LYS HG2 3.800 . 3.800 3.410 3.280 3.552 . 0 0 "[ . 1 . 2]" 1
1557 1 34 THR HA 1 34 THR MG 3.350 . 3.350 2.385 2.313 2.432 . 0 0 "[ . 1 . 2]" 1
1558 2 34 THR HA 2 34 THR MG 3.350 . 3.350 2.378 2.310 2.450 . 0 0 "[ . 1 . 2]" 1
1559 1 14 LYS HG2 1 15 PRO HD2 4.480 . 4.480 4.334 4.091 4.670 0.190 6 0 "[ . 1 . 2]" 1
1560 2 14 LYS HG2 2 15 PRO HD2 4.480 . 4.480 4.263 3.849 4.523 0.043 17 0 "[ . 1 . 2]" 1
1561 1 14 LYS HG3 1 15 PRO HD2 4.670 . 4.670 4.758 4.540 4.834 0.164 2 0 "[ . 1 . 2]" 1
1562 2 14 LYS HG3 2 15 PRO HD2 4.670 . 4.670 4.692 3.354 4.869 0.199 19 0 "[ . 1 . 2]" 1
1563 1 14 LYS QD 1 15 PRO HD2 3.970 . 3.970 3.025 2.034 4.146 0.176 6 0 "[ . 1 . 2]" 1
1564 2 14 LYS QD 2 15 PRO HD2 3.970 . 3.970 2.949 1.978 3.732 . 0 0 "[ . 1 . 2]" 1
1565 1 25 ILE HA 2 52 LYS HG3 5.230 . 5.230 5.124 4.869 5.268 0.038 2 0 "[ . 1 . 2]" 1
1566 1 52 LYS HG3 2 25 ILE HA 5.230 . 5.230 5.189 4.956 5.266 0.036 8 0 "[ . 1 . 2]" 1
1567 1 25 ILE HA 2 53 ALA MB 4.310 . 4.310 2.842 2.461 3.099 . 0 0 "[ . 1 . 2]" 1
1568 1 53 ALA MB 2 25 ILE HA 4.310 . 4.310 2.797 2.381 3.103 . 0 0 "[ . 1 . 2]" 1
1569 1 25 ILE HA 1 25 ILE MG 3.300 . 3.300 2.505 2.457 2.539 . 0 0 "[ . 1 . 2]" 1
1570 2 25 ILE HA 2 25 ILE MG 3.300 . 3.300 2.482 2.432 2.544 . 0 0 "[ . 1 . 2]" 1
1571 1 55 ILE HA 1 55 ILE MG 3.410 . 3.410 2.419 2.341 2.618 . 0 0 "[ . 1 . 2]" 1
1572 2 55 ILE HA 2 55 ILE MG 3.410 . 3.410 2.404 2.330 2.473 . 0 0 "[ . 1 . 2]" 1
1573 1 43 ASP HA 1 46 ARG QG 4.510 . 4.510 4.190 4.078 4.459 . 0 0 "[ . 1 . 2]" 1
1574 2 43 ASP HA 2 46 ARG QG 4.510 . 4.510 4.204 4.008 4.421 . 0 0 "[ . 1 . 2]" 1
1575 1 42 LYS QB 1 43 ASP HA 4.700 . 4.700 4.263 4.135 4.413 . 0 0 "[ . 1 . 2]" 1
1576 2 42 LYS QB 2 43 ASP HA 4.700 . 4.700 4.289 4.132 4.454 . 0 0 "[ . 1 . 2]" 1
1577 1 40 LEU MD1 1 62 HIS HA 4.640 . 4.640 4.111 3.433 4.618 . 0 0 "[ . 1 . 2]" 1
1578 2 40 LEU MD1 2 62 HIS HA 4.640 . 4.640 3.982 3.474 4.665 0.025 20 0 "[ . 1 . 2]" 1
1579 1 40 LEU MD2 1 62 HIS HA 4.640 . 4.640 3.775 3.269 4.500 . 0 0 "[ . 1 . 2]" 1
1580 2 40 LEU MD2 2 62 HIS HA 4.640 . 4.640 3.495 2.426 3.870 . 0 0 "[ . 1 . 2]" 1
1581 1 36 ILE MD 1 62 HIS HA 5.270 . 5.270 4.839 4.507 5.254 . 0 0 "[ . 1 . 2]" 1
1582 2 36 ILE MD 2 62 HIS HA 5.270 . 5.270 4.805 4.535 5.067 . 0 0 "[ . 1 . 2]" 1
1583 1 14 LYS HA 1 14 LYS HG2 3.730 . 3.730 2.799 2.492 3.884 0.154 6 0 "[ . 1 . 2]" 1
1584 2 14 LYS HA 2 14 LYS HG2 3.730 . 3.730 2.724 2.424 3.596 . 0 0 "[ . 1 . 2]" 1
1585 1 14 LYS HA 1 14 LYS QD 3.560 . 3.560 2.949 1.814 3.670 0.110 6 0 "[ . 1 . 2]" 1
1586 2 14 LYS HA 2 14 LYS QD 3.560 . 3.560 2.902 1.938 3.631 0.071 8 0 "[ . 1 . 2]" 1
1587 1 14 LYS HA 1 14 LYS HG3 3.980 . 3.980 3.694 3.383 3.787 . 0 0 "[ . 1 . 2]" 1
1588 2 14 LYS HA 2 14 LYS HG3 3.980 . 3.980 3.657 3.125 3.781 . 0 0 "[ . 1 . 2]" 1
1589 1 59 THR HB 1 60 VAL MG2 3.540 . 3.540 3.163 2.950 3.480 . 0 0 "[ . 1 . 2]" 1
1590 2 59 THR HB 2 60 VAL MG2 3.540 . 3.540 3.125 2.913 3.444 . 0 0 "[ . 1 . 2]" 1
1591 1 59 THR HB 2 59 THR MG 4.380 . 4.380 3.239 2.008 3.680 . 0 0 "[ . 1 . 2]" 1
1592 1 59 THR MG 2 59 THR HB 4.380 . 4.380 3.208 2.115 3.669 . 0 0 "[ . 1 . 2]" 1
1593 1 59 THR HB 1 60 VAL MG1 5.420 . 5.420 5.376 5.273 5.439 0.019 18 0 "[ . 1 . 2]" 1
1594 2 59 THR HB 2 60 VAL MG1 5.420 . 5.420 5.334 5.054 5.438 0.018 2 0 "[ . 1 . 2]" 1
1595 1 50 LEU HA 1 50 LEU HG 3.650 . 3.650 2.787 2.153 3.636 . 0 0 "[ . 1 . 2]" 1
1596 2 50 LEU HA 2 50 LEU HG 3.650 . 3.650 2.985 2.397 3.603 . 0 0 "[ . 1 . 2]" 1
1597 1 26 ASN HA 1 29 LEU HB2 3.870 . 3.870 3.241 2.913 3.422 . 0 0 "[ . 1 . 2]" 1
1598 2 26 ASN HA 2 29 LEU HB2 3.870 . 3.870 3.279 3.059 3.526 . 0 0 "[ . 1 . 2]" 1
1599 1 25 ILE MG 1 26 ASN HA 3.640 . 3.640 3.197 3.054 3.354 . 0 0 "[ . 1 . 2]" 1
1600 2 25 ILE MG 2 26 ASN HA 3.640 . 3.640 3.225 3.065 3.397 . 0 0 "[ . 1 . 2]" 1
1601 1 54 ASP H 1 55 ILE MD 4.300 . 4.300 4.291 3.582 4.365 0.065 9 0 "[ . 1 . 2]" 1
1602 2 54 ASP H 2 55 ILE MD 4.300 . 4.300 4.334 4.297 4.397 0.097 13 0 "[ . 1 . 2]" 1
1603 1 25 ILE MG 1 26 ASN HD22 4.700 . 4.700 4.569 4.268 4.770 0.070 7 0 "[ . 1 . 2]" 1
1604 2 25 ILE MG 2 26 ASN HD22 4.700 . 4.700 4.434 4.224 4.779 0.079 2 0 "[ . 1 . 2]" 1
1605 1 66 LEU HB3 1 70 GLN HE22 4.560 . 4.560 3.967 3.300 4.594 0.034 12 0 "[ . 1 . 2]" 1
1606 2 66 LEU HB3 2 70 GLN HE22 4.560 . 4.560 3.990 3.132 4.610 0.050 13 0 "[ . 1 . 2]" 1
1607 1 11 LYS QD 1 12 SER H 4.090 . 4.090 3.069 1.966 4.147 0.057 19 0 "[ . 1 . 2]" 1
1608 2 11 LYS QD 2 12 SER H 4.090 . 4.090 3.281 2.048 4.218 0.128 8 0 "[ . 1 . 2]" 1
1609 1 16 ILE MD 1 17 MET H 4.460 . 4.460 4.477 4.408 4.505 0.045 19 0 "[ . 1 . 2]" 1
1610 2 16 ILE MD 2 17 MET H 4.460 . 4.460 4.485 4.471 4.517 0.057 14 0 "[ . 1 . 2]" 1
1611 1 28 SER H 2 53 ALA MB 4.940 . 4.940 4.781 4.201 4.975 0.035 3 0 "[ . 1 . 2]" 1
1612 1 53 ALA MB 2 28 SER H 4.940 . 4.940 4.711 4.196 4.990 0.050 19 0 "[ . 1 . 2]" 1
1613 1 22 ARG H 1 25 ILE MD 3.640 . 3.640 3.649 3.500 3.702 0.062 13 0 "[ . 1 . 2]" 1
1614 2 22 ARG H 2 25 ILE MD 3.640 . 3.640 3.673 3.643 3.705 0.065 15 0 "[ . 1 . 2]" 1
1615 1 37 LEU MD1 1 42 LYS H 4.600 . 4.600 2.571 2.147 3.215 . 0 0 "[ . 1 . 2]" 1
1616 2 37 LEU MD1 2 42 LYS H 4.600 . 4.600 2.535 2.077 4.026 . 0 0 "[ . 1 . 2]" 1
1617 1 37 LEU MD2 1 42 LYS H 4.600 . 4.600 3.380 2.657 4.433 . 0 0 "[ . 1 . 2]" 1
1618 2 37 LEU MD2 2 42 LYS H 4.600 . 4.600 3.289 2.434 4.444 . 0 0 "[ . 1 . 2]" 1
1619 1 52 LYS HG3 1 56 LEU H 4.590 . 4.590 4.429 4.024 4.617 0.027 4 0 "[ . 1 . 2]" 1
1620 2 52 LYS HG3 2 56 LEU H 4.590 . 4.590 4.349 3.919 4.604 0.014 4 0 "[ . 1 . 2]" 1
1621 1 25 ILE H 2 53 ALA MB 4.200 . 4.200 2.782 2.605 3.026 . 0 0 "[ . 1 . 2]" 1
1622 1 53 ALA MB 2 25 ILE H 4.200 . 4.200 2.766 2.643 3.083 . 0 0 "[ . 1 . 2]" 1
1623 1 55 ILE MG 1 56 LEU H 4.080 . 4.080 3.206 2.988 3.386 . 0 0 "[ . 1 . 2]" 1
1624 2 55 ILE MG 2 56 LEU H 4.080 . 4.080 3.210 3.010 3.355 . 0 0 "[ . 1 . 2]" 1
1625 1 19 LYS H 1 19 LYS HG2 4.870 . 4.870 4.369 3.518 4.536 . 0 0 "[ . 1 . 2]" 1
1626 2 19 LYS H 2 19 LYS HG2 4.870 . 4.870 4.246 3.658 4.514 . 0 0 "[ . 1 . 2]" 1
1627 1 23 ALA MB 1 24 ARG H 3.480 . 3.480 2.370 2.296 2.446 . 0 0 "[ . 1 . 2]" 1
1628 2 23 ALA MB 2 24 ARG H 3.480 . 3.480 2.360 2.265 2.460 . 0 0 "[ . 1 . 2]" 1
1629 1 59 THR MG 1 60 VAL H 4.550 . 4.550 3.744 3.548 4.127 . 0 0 "[ . 1 . 2]" 1
1630 2 59 THR MG 2 60 VAL H 4.550 . 4.550 3.751 3.465 4.173 . 0 0 "[ . 1 . 2]" 1
1631 1 60 VAL H 2 59 THR MG 4.850 . 4.850 4.387 3.967 4.525 . 0 0 "[ . 1 . 2]" 1
1632 1 59 THR MG 2 60 VAL H 4.850 . 4.850 4.415 4.070 4.614 . 0 0 "[ . 1 . 2]" 1
1633 1 60 VAL H 1 60 VAL MG2 3.360 . 3.360 1.970 1.843 2.054 . 0 0 "[ . 1 . 2]" 1
1634 2 60 VAL H 2 60 VAL MG2 3.360 . 3.360 1.965 1.896 2.039 . 0 0 "[ . 1 . 2]" 1
1635 1 36 ILE MD 1 62 HIS H 4.710 . 4.710 4.143 3.900 4.714 0.004 19 0 "[ . 1 . 2]" 1
1636 2 36 ILE MD 2 62 HIS H 4.710 . 4.710 4.098 3.867 4.357 . 0 0 "[ . 1 . 2]" 1
1637 1 37 LEU MD1 1 47 HIS H 4.930 . 4.930 4.383 3.703 4.959 0.029 18 0 "[ . 1 . 2]" 1
1638 2 37 LEU MD1 2 47 HIS H 4.930 . 4.930 4.332 3.733 4.981 0.051 5 0 "[ . 1 . 2]" 1
1639 1 34 THR MG 1 35 LEU H 3.570 . 3.570 3.346 3.173 3.537 . 0 0 "[ . 1 . 2]" 1
1640 2 34 THR MG 2 35 LEU H 3.570 . 3.570 3.333 3.169 3.565 . 0 0 "[ . 1 . 2]" 1
1641 1 35 LEU H 2 60 VAL MG1 4.720 . 4.720 4.449 4.240 4.653 . 0 0 "[ . 1 . 2]" 1
1642 1 60 VAL MG1 2 35 LEU H 4.720 . 4.720 4.446 4.132 4.706 . 0 0 "[ . 1 . 2]" 1
1643 1 55 ILE H 1 55 ILE MD 3.300 . 3.300 3.194 2.267 3.309 0.009 1 0 "[ . 1 . 2]" 1
1644 2 55 ILE H 2 55 ILE MD 3.300 . 3.300 3.220 3.181 3.277 . 0 0 "[ . 1 . 2]" 1
1645 1 46 ARG H 1 46 ARG QG 3.580 . 3.580 2.269 2.080 2.487 . 0 0 "[ . 1 . 2]" 1
1646 2 46 ARG H 2 46 ARG QG 3.580 . 3.580 2.246 2.052 2.631 . 0 0 "[ . 1 . 2]" 1
1647 1 59 THR H 1 59 THR MG 3.880 . 3.880 3.607 3.148 3.703 . 0 0 "[ . 1 . 2]" 1
1648 2 59 THR H 2 59 THR MG 3.880 . 3.880 3.585 3.176 3.696 . 0 0 "[ . 1 . 2]" 1
1649 1 36 ILE MG 1 37 LEU H 3.320 . 3.320 3.111 2.948 3.335 0.015 19 0 "[ . 1 . 2]" 1
1650 2 36 ILE MG 2 37 LEU H 3.320 . 3.320 3.098 2.779 3.340 0.020 14 0 "[ . 1 . 2]" 1
1651 1 36 ILE MD 1 59 THR H 4.310 . 4.310 4.248 3.980 4.352 0.042 19 0 "[ . 1 . 2]" 1
1652 2 36 ILE MD 2 59 THR H 4.310 . 4.310 4.218 3.858 4.381 0.071 10 0 "[ . 1 . 2]" 1
1653 1 37 LEU MD1 1 38 ASP H 4.800 . 4.800 4.130 3.541 4.817 0.017 5 0 "[ . 1 . 2]" 1
1654 2 37 LEU MD1 2 38 ASP H 4.800 . 4.800 4.143 3.711 4.919 0.119 12 0 "[ . 1 . 2]" 1
1655 1 61 LYS H 1 61 LYS QD 4.070 . 4.070 3.996 3.011 4.108 0.038 4 0 "[ . 1 . 2]" 1
1656 2 61 LYS H 2 61 LYS QD 4.070 . 4.070 4.068 3.893 4.134 0.064 5 0 "[ . 1 . 2]" 1
1657 1 67 GLN H 2 66 LEU MD2 5.500 . 5.500 4.258 3.975 4.560 . 0 0 "[ . 1 . 2]" 1
1658 1 66 LEU MD2 2 67 GLN H 5.500 . 5.500 4.299 3.969 4.475 . 0 0 "[ . 1 . 2]" 1
1659 1 36 ILE MG 1 40 LEU H 4.700 . 4.700 4.333 4.003 4.659 . 0 0 "[ . 1 . 2]" 1
1660 2 36 ILE MG 2 40 LEU H 4.700 . 4.700 4.256 3.937 4.527 . 0 0 "[ . 1 . 2]" 1
1661 1 34 THR H 1 34 THR MG 3.780 . 3.780 3.752 3.714 3.783 0.003 2 0 "[ . 1 . 2]" 1
1662 2 34 THR H 2 34 THR MG 3.780 . 3.780 3.739 3.685 3.786 0.006 14 0 "[ . 1 . 2]" 1
1663 1 52 LYS H 1 52 LYS HG2 4.650 . 4.650 4.410 4.325 4.476 . 0 0 "[ . 1 . 2]" 1
1664 2 52 LYS H 2 52 LYS HG2 4.650 . 4.650 4.385 4.312 4.465 . 0 0 "[ . 1 . 2]" 1
1665 1 52 LYS H 2 21 ARG HG2 5.000 . 5.000 4.807 4.315 5.044 0.044 19 0 "[ . 1 . 2]" 1
1666 1 21 ARG HG2 2 52 LYS H 5.000 . 5.000 4.804 4.392 5.014 0.014 12 0 "[ . 1 . 2]" 1
1667 1 32 LEU H 2 60 VAL MG1 4.530 . 4.530 3.945 3.485 4.304 . 0 0 "[ . 1 . 2]" 1
1668 1 60 VAL MG1 2 32 LEU H 4.530 . 4.530 3.899 3.535 4.097 . 0 0 "[ . 1 . 2]" 1
1669 1 52 LYS H 1 55 ILE MD 3.780 . 3.780 3.568 3.375 3.753 . 0 0 "[ . 1 . 2]" 1
1670 2 52 LYS H 2 55 ILE MD 3.780 . 3.780 3.609 3.368 3.797 0.017 10 0 "[ . 1 . 2]" 1
1671 1 36 ILE H 1 36 ILE MD 4.020 . 4.020 3.463 3.258 3.648 . 0 0 "[ . 1 . 2]" 1
1672 2 36 ILE H 2 36 ILE MD 4.020 . 4.020 3.465 3.244 3.571 . 0 0 "[ . 1 . 2]" 1
1673 1 25 ILE MG 1 29 LEU H 4.180 . 4.180 4.114 3.986 4.220 0.040 17 0 "[ . 1 . 2]" 1
1674 2 25 ILE MG 2 29 LEU H 4.180 . 4.180 4.141 3.975 4.223 0.043 13 0 "[ . 1 . 2]" 1
1675 1 55 ILE MG 1 58 MET H 4.800 . 4.800 4.681 4.578 4.763 . 0 0 "[ . 1 . 2]" 1
1676 2 55 ILE MG 2 58 MET H 4.800 . 4.800 4.691 4.585 4.807 0.007 8 0 "[ . 1 . 2]" 1
1677 1 58 MET H 1 61 LYS QD 5.500 . 5.500 5.325 4.708 5.700 0.200 10 0 "[ . 1 . 2]" 1
1678 2 58 MET H 2 61 LYS QD 5.500 . 5.500 5.313 4.830 5.550 0.050 11 0 "[ . 1 . 2]" 1
1679 1 44 SER H 1 46 ARG QG 4.690 . 4.690 4.629 4.412 4.760 0.070 6 0 "[ . 1 . 2]" 1
1680 2 44 SER H 2 46 ARG QG 4.690 . 4.690 4.589 4.289 4.779 0.089 5 0 "[ . 1 . 2]" 1
1681 1 13 SER H 1 14 LYS HG2 5.260 . 5.260 4.748 3.234 5.366 0.106 11 0 "[ . 1 . 2]" 1
1682 2 13 SER H 2 14 LYS HG2 5.260 . 5.260 4.846 3.295 5.343 0.083 9 0 "[ . 1 . 2]" 1
1683 1 63 LEU H 2 59 THR MG 5.500 . 5.500 5.240 4.904 5.488 . 0 0 "[ . 1 . 2]" 1
1684 1 59 THR MG 2 63 LEU H 5.500 . 5.500 5.245 4.685 5.506 0.006 4 0 "[ . 1 . 2]" 1
1685 1 36 ILE MD 1 63 LEU H 5.010 . 5.010 4.545 4.282 5.028 0.018 19 0 "[ . 1 . 2]" 1
1686 2 36 ILE MD 2 63 LEU H 5.010 . 5.010 4.566 4.260 5.050 0.040 10 0 "[ . 1 . 2]" 1
1687 1 23 ALA MB 1 26 ASN H 5.330 . 5.330 4.763 4.687 4.858 . 0 0 "[ . 1 . 2]" 1
1688 2 23 ALA MB 2 26 ASN H 5.330 . 5.330 4.763 4.656 4.863 . 0 0 "[ . 1 . 2]" 1
1689 1 26 ASN H 1 29 LEU HB2 5.500 . 5.500 4.967 4.722 5.127 . 0 0 "[ . 1 . 2]" 1
1690 2 26 ASN H 2 29 LEU HB2 5.500 . 5.500 5.022 4.733 5.200 . 0 0 "[ . 1 . 2]" 1
1691 1 17 MET HG3 1 20 ARG QD 5.470 . 5.470 5.088 4.772 5.510 0.040 9 0 "[ . 1 . 2]" 1
1692 2 17 MET HG3 2 20 ARG QD 5.470 . 5.470 4.999 4.766 5.527 0.057 9 0 "[ . 1 . 2]" 1
1693 1 12 SER H 1 12 SER QB 3.460 . 3.460 2.731 2.238 3.367 . 0 0 "[ . 1 . 2]" 1
1694 1 12 SER QB 1 13 SER H 3.910 . 3.910 3.329 2.130 3.969 0.059 9 0 "[ . 1 . 2]" 1
1695 1 14 LYS H 1 14 LYS QB 3.100 . 3.100 2.368 2.044 2.996 . 0 0 "[ . 1 . 2]" 1
1696 1 14 LYS QB 1 14 LYS HG2 2.570 . 2.570 2.386 1.935 2.473 . 0 0 "[ . 1 . 2]" 1
1697 1 14 LYS QB 1 14 LYS QE 4.000 . 4.000 2.966 2.116 3.610 . 0 0 "[ . 1 . 2]" 1
1698 1 14 LYS QB 1 15 PRO HD2 3.580 . 3.580 2.823 2.490 3.030 . 0 0 "[ . 1 . 2]" 1
1699 1 14 LYS QB 1 16 ILE H 3.720 . 3.720 2.933 2.642 3.185 . 0 0 "[ . 1 . 2]" 1
1700 1 14 LYS QB 1 17 MET H 4.180 . 4.180 2.296 2.017 2.425 . 0 0 "[ . 1 . 2]" 1
1701 1 14 LYS QB 1 17 MET HB2 3.570 . 3.570 2.087 1.947 2.416 . 0 0 "[ . 1 . 2]" 1
1702 1 14 LYS QB 1 17 MET HG3 3.400 . 3.400 2.628 2.384 3.025 . 0 0 "[ . 1 . 2]" 1
1703 1 14 LYS QE 1 15 PRO QG 5.250 . 5.250 3.900 3.470 5.479 0.229 6 0 "[ . 1 . 2]" 1
1704 1 15 PRO QB 1 16 ILE H 4.100 . 4.100 3.008 2.579 3.153 . 0 0 "[ . 1 . 2]" 1
1705 1 15 PRO QG 1 16 ILE H 3.650 . 3.650 2.420 2.207 3.428 . 0 0 "[ . 1 . 2]" 1
1706 1 16 ILE HA 1 19 LYS QG 4.380 . 4.380 4.119 1.982 4.463 0.083 15 0 "[ . 1 . 2]" 1
1707 1 19 LYS H 1 19 LYS QG 4.180 . 4.180 3.842 2.410 4.088 . 0 0 "[ . 1 . 2]" 1
1708 1 19 LYS HA 1 19 LYS QG 3.380 . 3.380 2.480 2.266 3.440 0.060 19 0 "[ . 1 . 2]" 1
1709 1 19 LYS QE 1 19 LYS QG 3.460 . 3.460 2.510 1.978 2.779 . 0 0 "[ . 1 . 2]" 1
1710 1 19 LYS QG 1 20 ARG H 4.700 . 4.700 3.858 2.144 4.383 . 0 0 "[ . 1 . 2]" 1
1711 1 21 ARG QB 1 21 ARG HG2 2.550 . 2.550 2.374 2.329 2.419 . 0 0 "[ . 1 . 2]" 1
1712 1 21 ARG QB 1 21 ARG QD 3.040 . 3.040 2.280 2.162 2.399 . 0 0 "[ . 1 . 2]" 1
1713 1 25 ILE HA 2 56 LEU QD 3.260 . 3.260 2.399 2.081 2.646 . 0 0 "[ . 1 . 2]" 1
1714 1 25 ILE MG 2 56 LEU QD 2.680 . 2.680 2.075 1.913 2.243 . 0 0 "[ . 1 . 2]" 1
1715 1 26 ASN H 2 56 LEU QD 4.900 . 4.900 4.579 4.467 4.748 . 0 0 "[ . 1 . 2]" 1
1716 1 26 ASN HA 2 56 LEU QD 4.250 . 4.250 4.224 3.958 4.306 0.056 11 0 "[ . 1 . 2]" 1
1717 1 26 ASN HB2 1 27 GLU QB 4.890 . 4.890 4.625 3.981 4.827 . 0 0 "[ . 1 . 2]" 1
1718 1 27 GLU H 2 56 LEU QD 5.440 . 5.440 5.222 5.168 5.279 . 0 0 "[ . 1 . 2]" 1
1719 1 27 GLU QB 1 28 SER H 3.360 . 3.360 2.736 2.442 3.470 0.110 15 0 "[ . 1 . 2]" 1
1720 1 27 GLU QB 1 31 GLN H 5.210 . 5.210 4.911 4.681 5.075 . 0 0 "[ . 1 . 2]" 1
1721 1 28 SER H 2 56 LEU QD 3.670 . 3.670 3.765 3.740 3.810 0.140 15 0 "[ . 1 . 2]" 1
1722 1 29 LEU H 2 56 LEU QD 3.410 . 3.410 2.478 2.293 2.762 . 0 0 "[ . 1 . 2]" 1
1723 1 29 LEU HB2 2 56 LEU QD 3.060 . 3.060 2.068 1.973 2.191 . 0 0 "[ . 1 . 2]" 1
1724 1 29 LEU HG 1 56 LEU QD 3.420 . 3.420 2.888 2.589 3.222 . 0 0 "[ . 1 . 2]" 1
1725 1 29 LEU HG 2 56 LEU QD 2.630 . 2.630 2.484 2.255 2.656 0.026 1 0 "[ . 1 . 2]" 1
1726 1 29 LEU MD1 1 56 LEU QD 3.170 . 3.170 2.867 2.433 3.178 0.008 14 0 "[ . 1 . 2]" 1
1727 1 29 LEU MD2 1 56 LEU QD 2.990 . 2.990 2.894 2.474 3.024 0.034 10 0 "[ . 1 . 2]" 1
1728 1 30 SER H 2 56 LEU QD 4.860 . 4.860 4.474 4.283 4.701 . 0 0 "[ . 1 . 2]" 1
1729 1 31 GLN QB 1 35 LEU QD 4.200 . 4.200 2.541 2.258 3.077 . 0 0 "[ . 1 . 2]" 1
1730 1 32 LEU QD 1 33 LYS H 3.520 . 3.520 2.563 2.436 2.773 . 0 0 "[ . 1 . 2]" 1
1731 1 32 LEU QD 1 34 THR H 4.570 . 4.570 4.480 4.383 4.565 . 0 0 "[ . 1 . 2]" 1
1732 1 32 LEU QD 1 36 ILE H 4.900 . 4.900 4.483 3.995 4.889 . 0 0 "[ . 1 . 2]" 1
1733 1 32 LEU QD 1 59 THR H 3.880 . 3.880 3.728 3.073 3.893 0.013 17 0 "[ . 1 . 2]" 1
1734 1 32 LEU QD 1 59 THR MG 2.450 . 2.450 2.027 1.685 2.251 . 0 0 "[ . 1 . 2]" 1
1735 1 32 LEU QD 2 60 VAL H 3.720 . 3.720 3.406 3.030 3.707 . 0 0 "[ . 1 . 2]" 1
1736 1 32 LEU QD 2 60 VAL HA 4.070 . 4.070 3.933 3.092 4.111 0.041 10 0 "[ . 1 . 2]" 1
1737 1 32 LEU QD 2 60 VAL HB 4.560 . 4.560 4.343 4.023 4.597 0.037 19 0 "[ . 1 . 2]" 1
1738 1 32 LEU QD 2 60 VAL MG2 2.990 . 2.990 2.063 1.801 2.344 . 0 0 "[ . 1 . 2]" 1
1739 1 33 LYS H 1 36 ILE QG 4.970 . 4.970 4.721 4.525 4.848 . 0 0 "[ . 1 . 2]" 1
1740 1 34 THR H 1 35 LEU QD 4.600 . 4.600 4.147 4.000 4.660 0.060 17 0 "[ . 1 . 2]" 1
1741 1 34 THR H 1 36 ILE QG 5.260 . 5.260 5.193 5.022 5.279 0.019 8 0 "[ . 1 . 2]" 1
1742 1 34 THR HB 1 35 LEU QD 3.420 . 3.420 2.615 2.313 3.386 . 0 0 "[ . 1 . 2]" 1
1743 1 34 THR MG 1 35 LEU QD 3.070 . 3.070 2.542 2.302 2.734 . 0 0 "[ . 1 . 2]" 1
1744 1 35 LEU H 1 35 LEU QD 3.420 . 3.420 2.413 2.225 2.999 . 0 0 "[ . 1 . 2]" 1
1745 1 35 LEU H 1 36 ILE QG 4.390 . 4.390 4.351 4.173 4.413 0.023 13 0 "[ . 1 . 2]" 1
1746 1 35 LEU HA 1 35 LEU QD 3.030 . 3.030 2.066 1.928 2.513 . 0 0 "[ . 1 . 2]" 1
1747 1 35 LEU QD 1 36 ILE H 5.100 . 5.100 4.019 3.953 4.194 . 0 0 "[ . 1 . 2]" 1
1748 1 35 LEU QD 1 38 ASP HB2 4.200 . 4.200 3.655 3.164 4.245 0.045 10 0 "[ . 1 . 2]" 1
1749 1 36 ILE H 1 36 ILE QG 3.430 . 3.430 2.350 2.216 2.480 . 0 0 "[ . 1 . 2]" 1
1750 1 36 ILE HA 1 36 ILE QG 3.540 . 3.540 2.813 2.719 2.889 . 0 0 "[ . 1 . 2]" 1
1751 1 36 ILE MG 1 37 LEU QD 3.550 . 3.550 3.451 2.177 3.645 0.095 14 0 "[ . 1 . 2]" 1
1752 1 36 ILE MG 1 58 MET QG 3.730 . 3.730 2.018 1.878 2.199 . 0 0 "[ . 1 . 2]" 1
1753 1 36 ILE QG 1 37 LEU H 4.440 . 4.440 4.105 3.971 4.320 . 0 0 "[ . 1 . 2]" 1
1754 1 36 ILE QG 1 59 THR MG 2.970 . 2.970 2.084 1.935 2.220 . 0 0 "[ . 1 . 2]" 1
1755 1 36 ILE QG 1 62 HIS QB 4.790 . 4.790 4.062 3.852 4.349 . 0 0 "[ . 1 . 2]" 1
1756 1 37 LEU H 1 37 LEU QB 3.230 . 3.230 2.145 2.010 2.255 . 0 0 "[ . 1 . 2]" 1
1757 1 37 LEU H 1 37 LEU QD 3.710 . 3.710 3.500 2.622 3.655 . 0 0 "[ . 1 . 2]" 1
1758 1 37 LEU HA 1 37 LEU QD 2.870 . 2.870 1.975 1.861 2.127 . 0 0 "[ . 1 . 2]" 1
1759 1 37 LEU QB 1 37 LEU QD 2.500 . 2.500 2.050 1.868 2.099 . 0 0 "[ . 1 . 2]" 1
1760 1 37 LEU QB 1 38 ASP H 3.240 . 3.240 2.781 2.266 3.208 . 0 0 "[ . 1 . 2]" 1
1761 1 37 LEU QD 1 40 LEU H 5.280 . 5.280 4.405 3.977 4.784 . 0 0 "[ . 1 . 2]" 1
1762 1 37 LEU QD 1 41 LYS H 3.660 . 3.660 3.391 3.037 3.747 0.087 19 0 "[ . 1 . 2]" 1
1763 1 37 LEU QD 1 41 LYS HA 3.410 . 3.410 2.733 2.172 3.437 0.027 19 0 "[ . 1 . 2]" 1
1764 1 37 LEU QD 1 42 LYS H 3.750 . 3.750 2.450 2.111 2.870 . 0 0 "[ . 1 . 2]" 1
1765 1 37 LEU QD 1 42 LYS QB 3.530 . 3.530 2.300 1.875 3.478 . 0 0 "[ . 1 . 2]" 1
1766 1 37 LEU QD 1 42 LYS QD 3.730 . 3.730 3.060 1.845 3.823 0.093 2 0 "[ . 1 . 2]" 1
1767 1 37 LEU QD 1 42 LYS QE 4.460 . 4.460 3.650 1.990 4.264 . 0 0 "[ . 1 . 2]" 1
1768 1 37 LEU QD 1 43 ASP H 4.560 . 4.560 2.261 1.946 3.213 . 0 0 "[ . 1 . 2]" 1
1769 1 37 LEU QD 1 46 ARG QD 3.930 . 3.930 2.731 1.905 4.035 0.105 6 0 "[ . 1 . 2]" 1
1770 1 37 LEU QD 1 47 HIS H 3.980 . 3.980 3.645 3.219 4.082 0.102 6 0 "[ . 1 . 2]" 1
1771 1 37 LEU QD 1 47 HIS HA 4.640 . 4.640 3.190 2.624 3.627 . 0 0 "[ . 1 . 2]" 1
1772 1 37 LEU QD 1 47 HIS QB 3.330 . 3.330 2.259 1.917 2.706 . 0 0 "[ . 1 . 2]" 1
1773 1 37 LEU QD 1 50 LEU QD 2.650 . 2.650 2.510 2.070 2.811 0.161 19 0 "[ . 1 . 2]" 1
1774 1 39 ALA H 1 40 LEU QD 3.740 . 3.740 3.624 3.093 3.945 0.205 15 0 "[ . 1 . 2]" 1
1775 1 39 ALA MB 1 40 LEU QD 3.010 . 3.010 2.245 1.965 2.899 . 0 0 "[ . 1 . 2]" 1
1776 1 40 LEU H 1 40 LEU QD 3.320 . 3.320 2.427 1.858 2.994 . 0 0 "[ . 1 . 2]" 1
1777 1 40 LEU HA 1 40 LEU QD 3.330 . 3.330 2.685 1.983 3.077 . 0 0 "[ . 1 . 2]" 1
1778 1 40 LEU QB 1 40 LEU QD 2.590 . 2.590 1.925 1.872 1.993 . 0 0 "[ . 1 . 2]" 1
1779 1 40 LEU QD 1 41 LYS QE 5.030 . 5.030 5.008 4.626 5.401 0.371 9 0 "[ . 1 . 2]" 1
1780 1 40 LEU QD 1 42 LYS QG 4.100 . 4.100 3.159 2.717 3.661 . 0 0 "[ . 1 . 2]" 1
1781 1 40 LEU QD 1 58 MET QG 4.000 . 4.000 3.189 2.191 4.068 0.068 13 0 "[ . 1 . 2]" 1
1782 1 40 LEU QD 1 62 HIS HA 3.950 . 3.950 3.468 3.072 4.006 0.056 19 0 "[ . 1 . 2]" 1
1783 1 40 LEU QD 1 62 HIS QB 4.150 . 4.150 2.412 2.035 2.938 . 0 0 "[ . 1 . 2]" 1
1784 1 40 LEU QD 1 65 ASN HD21 3.910 . 3.910 2.840 2.127 3.476 . 0 0 "[ . 1 . 2]" 1
1785 1 40 LEU QD 1 65 ASN HD22 4.390 . 4.390 3.529 2.704 4.487 0.097 3 0 "[ . 1 . 2]" 1
1786 1 40 LEU QD 2 67 GLN HE22 5.440 . 5.440 4.389 3.273 5.072 . 0 0 "[ . 1 . 2]" 1
1787 1 43 ASP HA 1 45 SER QB 5.340 . 5.340 5.096 4.757 5.364 0.024 3 0 "[ . 1 . 2]" 1
1788 1 43 ASP HA 1 47 HIS QB 5.340 . 5.340 5.285 5.030 5.413 0.073 10 0 "[ . 1 . 2]" 1
1789 1 43 ASP HB2 1 45 SER QB 4.590 . 4.590 4.505 3.715 4.737 0.147 9 0 "[ . 1 . 2]" 1
1790 1 43 ASP HB3 1 45 SER QB 4.500 . 4.500 3.558 2.550 4.375 . 0 0 "[ . 1 . 2]" 1
1791 1 44 SER H 1 45 SER QB 4.930 . 4.930 4.284 3.959 4.646 . 0 0 "[ . 1 . 2]" 1
1792 1 44 SER HA 1 47 HIS QB 3.940 . 3.940 2.241 2.020 2.571 . 0 0 "[ . 1 . 2]" 1
1793 1 44 SER QB 1 47 HIS QB 4.370 . 4.370 3.683 3.066 4.341 . 0 0 "[ . 1 . 2]" 1
1794 1 45 SER H 1 45 SER QB 3.300 . 3.300 2.329 2.174 2.550 . 0 0 "[ . 1 . 2]" 1
1795 1 45 SER QB 1 46 ARG H 3.720 . 3.720 2.456 2.262 2.740 . 0 0 "[ . 1 . 2]" 1
1796 1 46 ARG HA 1 50 LEU QD 4.250 . 4.250 4.346 4.183 4.524 0.274 16 0 "[ . 1 . 2]" 1
1797 1 46 ARG QD 1 47 HIS QB 4.250 . 4.250 3.914 3.457 4.282 0.032 7 0 "[ . 1 . 2]" 1
1798 1 46 ARG QD 1 50 LEU QD 3.630 . 3.630 2.513 1.990 2.990 . 0 0 "[ . 1 . 2]" 1
1799 1 47 HIS H 1 50 LEU QD 4.180 . 4.180 3.925 3.404 4.238 0.058 20 0 "[ . 1 . 2]" 1
1800 1 47 HIS HA 1 50 LEU QD 4.170 . 4.170 1.953 1.709 2.225 . 0 0 "[ . 1 . 2]" 1
1801 1 49 LYS QG 1 51 GLU QG 4.370 . 4.370 3.958 3.777 4.396 0.026 12 0 "[ . 1 . 2]" 1
1802 1 49 LYS QE 1 51 GLU QG 4.500 . 4.500 2.914 2.149 3.944 . 0 0 "[ . 1 . 2]" 1
1803 1 50 LEU H 1 50 LEU QD 3.620 . 3.620 3.370 2.736 3.758 0.138 20 0 "[ . 1 . 2]" 1
1804 1 50 LEU H 1 51 GLU QG 5.340 . 5.340 4.987 4.553 5.306 . 0 0 "[ . 1 . 2]" 1
1805 1 50 LEU HA 1 50 LEU QD 3.760 . 3.760 2.183 1.896 2.951 . 0 0 "[ . 1 . 2]" 1
1806 1 50 LEU HB2 1 54 ASP QB 5.340 . 5.340 4.773 4.175 5.270 . 0 0 "[ . 1 . 2]" 1
1807 1 50 LEU QD 1 51 GLU H 4.230 . 4.230 3.178 2.515 4.059 . 0 0 "[ . 1 . 2]" 1
1808 1 50 LEU QD 1 54 ASP H 4.440 . 4.440 4.274 3.781 4.492 0.052 2 0 "[ . 1 . 2]" 1
1809 1 50 LEU QD 1 54 ASP HA 4.050 . 4.050 4.126 3.889 4.217 0.167 5 0 "[ . 1 . 2]" 1
1810 1 50 LEU QD 1 54 ASP QB 2.980 . 2.980 2.177 1.894 2.694 . 0 0 "[ . 1 . 2]" 1
1811 1 50 LEU QD 1 55 ILE H 3.290 . 3.290 3.204 2.740 3.397 0.107 19 0 "[ . 1 . 2]" 1
1812 1 50 LEU QD 1 55 ILE HA 3.620 . 3.620 2.589 2.107 2.897 . 0 0 "[ . 1 . 2]" 1
1813 1 50 LEU QD 1 58 MET H 4.870 . 4.870 4.657 4.018 4.905 0.035 9 0 "[ . 1 . 2]" 1
1814 1 50 LEU QD 1 58 MET QG 4.810 . 4.810 3.599 2.769 4.473 . 0 0 "[ . 1 . 2]" 1
1815 1 51 GLU H 1 51 GLU QG 3.320 . 3.320 2.268 1.940 2.747 . 0 0 "[ . 1 . 2]" 1
1816 1 51 GLU HB2 1 54 ASP QB 3.910 . 3.910 2.568 1.980 3.415 . 0 0 "[ . 1 . 2]" 1
1817 1 51 GLU QG 1 54 ASP QB 5.070 . 5.070 3.659 2.783 4.322 . 0 0 "[ . 1 . 2]" 1
1818 1 51 GLU QG 1 55 ILE MD 5.340 . 5.340 5.251 4.844 5.401 0.061 1 0 "[ . 1 . 2]" 1
1819 1 52 LYS HG2 1 56 LEU QD 4.220 . 4.220 2.702 2.141 2.917 . 0 0 "[ . 1 . 2]" 1
1820 1 52 LYS QE 1 56 LEU QD 3.910 . 3.910 3.897 3.678 4.072 0.162 10 0 "[ . 1 . 2]" 1
1821 1 53 ALA H 1 56 LEU QD 4.770 . 4.770 4.340 3.924 4.629 . 0 0 "[ . 1 . 2]" 1
1822 1 53 ALA MB 1 54 ASP QB 5.170 . 5.170 3.825 3.366 4.400 . 0 0 "[ . 1 . 2]" 1
1823 1 54 ASP H 1 56 LEU QD 5.440 . 5.440 4.889 4.444 5.194 . 0 0 "[ . 1 . 2]" 1
1824 1 54 ASP QB 1 55 ILE H 3.680 . 3.680 2.458 2.067 2.790 . 0 0 "[ . 1 . 2]" 1
1825 1 54 ASP QB 1 55 ILE QG 4.890 . 4.890 2.904 2.702 4.170 . 0 0 "[ . 1 . 2]" 1
1826 1 54 ASP QB 1 55 ILE MD 3.950 . 3.950 4.025 3.487 4.120 0.170 8 0 "[ . 1 . 2]" 1
1827 1 55 ILE HA 1 56 LEU QD 5.260 . 5.260 4.947 4.618 5.192 . 0 0 "[ . 1 . 2]" 1
1828 1 55 ILE HB 1 56 LEU QD 3.610 . 3.610 3.315 2.653 3.624 0.014 19 0 "[ . 1 . 2]" 1
1829 1 55 ILE MG 1 56 LEU QD 3.450 . 3.450 2.977 2.629 3.429 . 0 0 "[ . 1 . 2]" 1
1830 1 56 LEU H 1 56 LEU QD 3.830 . 3.830 2.718 2.282 2.955 . 0 0 "[ . 1 . 2]" 1
1831 1 56 LEU HA 1 56 LEU QD 3.400 . 3.400 2.195 2.106 2.392 . 0 0 "[ . 1 . 2]" 1
1832 1 56 LEU QD 1 58 MET H 5.440 . 5.440 5.230 5.066 5.368 . 0 0 "[ . 1 . 2]" 1
1833 1 56 LEU QD 2 25 ILE HA 3.260 . 3.260 2.324 2.005 2.676 . 0 0 "[ . 1 . 2]" 1
1834 1 56 LEU QD 2 25 ILE MG 2.680 . 2.680 2.037 1.879 2.213 . 0 0 "[ . 1 . 2]" 1
1835 1 56 LEU QD 2 26 ASN H 4.900 . 4.900 4.580 4.459 4.750 . 0 0 "[ . 1 . 2]" 1
1836 1 56 LEU QD 2 26 ASN HA 4.250 . 4.250 4.234 4.044 4.323 0.073 15 0 "[ . 1 . 2]" 1
1837 1 56 LEU QD 2 27 GLU H 5.440 . 5.440 5.198 5.106 5.283 . 0 0 "[ . 1 . 2]" 1
1838 1 56 LEU QD 2 28 SER H 3.670 . 3.670 3.763 3.731 3.793 0.123 10 0 "[ . 1 . 2]" 1
1839 1 56 LEU QD 2 29 LEU H 3.410 . 3.410 2.602 2.290 2.896 . 0 0 "[ . 1 . 2]" 1
1840 1 56 LEU QD 2 29 LEU HB2 3.060 . 3.060 2.058 1.940 2.170 . 0 0 "[ . 1 . 2]" 1
1841 1 56 LEU QD 2 29 LEU HG 2.630 . 2.630 2.477 2.075 2.642 0.012 2 0 "[ . 1 . 2]" 1
1842 1 56 LEU QD 2 30 SER H 4.860 . 4.860 4.525 4.399 4.676 . 0 0 "[ . 1 . 2]" 1
1843 1 58 MET H 1 58 MET QG 4.290 . 4.290 4.014 3.907 4.087 . 0 0 "[ . 1 . 2]" 1
1844 1 58 MET HA 1 62 HIS QB 5.100 . 5.100 4.710 4.440 5.057 . 0 0 "[ . 1 . 2]" 1
1845 1 59 THR H 1 62 HIS QB 4.770 . 4.770 4.759 4.603 4.829 0.059 4 0 "[ . 1 . 2]" 1
1846 1 59 THR HA 1 62 HIS QB 3.760 . 3.760 2.739 2.514 2.977 . 0 0 "[ . 1 . 2]" 1
1847 1 59 THR MG 1 62 HIS QB 5.130 . 5.130 3.939 3.487 4.373 . 0 0 "[ . 1 . 2]" 1
1848 1 60 VAL H 2 32 LEU QD 3.720 . 3.720 3.448 2.988 3.722 0.002 6 0 "[ . 1 . 2]" 1
1849 1 60 VAL HA 2 32 LEU QD 4.070 . 4.070 3.893 2.028 4.112 0.042 19 0 "[ . 1 . 2]" 1
1850 1 60 VAL HB 2 32 LEU QD 4.560 . 4.560 4.366 3.692 4.587 0.027 19 0 "[ . 1 . 2]" 1
1851 1 60 VAL MG2 2 32 LEU QD 2.990 . 2.990 2.089 1.778 2.306 . 0 0 "[ . 1 . 2]" 1
1852 1 61 LYS H 1 62 HIS QB 5.340 . 5.340 4.491 4.321 4.682 . 0 0 "[ . 1 . 2]" 1
1853 1 62 HIS H 1 62 HIS QB 3.630 . 3.630 2.286 2.215 2.368 . 0 0 "[ . 1 . 2]" 1
1854 1 62 HIS QB 1 65 ASN HD22 5.340 . 5.340 4.450 4.068 4.793 . 0 0 "[ . 1 . 2]" 1
1855 1 63 LEU H 1 63 LEU QD 4.270 . 4.270 3.563 3.133 3.757 . 0 0 "[ . 1 . 2]" 1
1856 1 63 LEU QD 1 64 ARG H 3.700 . 3.700 3.280 2.687 3.712 0.012 11 0 "[ . 1 . 2]" 1
1857 1 63 LEU QD 1 64 ARG QD 3.430 . 3.430 2.514 1.960 3.297 . 0 0 "[ . 1 . 2]" 1
1858 1 63 LEU QD 1 66 LEU H 5.300 . 5.300 4.694 4.208 5.058 . 0 0 "[ . 1 . 2]" 1
1859 1 63 LEU QD 1 67 GLN H 5.000 . 5.000 3.857 3.563 4.264 . 0 0 "[ . 1 . 2]" 1
1860 1 63 LEU QD 1 67 GLN HB2 3.530 . 3.530 3.417 2.902 3.610 0.080 3 0 "[ . 1 . 2]" 1
1861 1 63 LEU QD 1 67 GLN HG2 4.240 . 4.240 2.590 2.177 3.389 . 0 0 "[ . 1 . 2]" 1
1862 1 63 LEU QD 1 67 GLN HG3 3.500 . 3.500 2.409 1.926 2.808 . 0 0 "[ . 1 . 2]" 1
1863 1 63 LEU QD 1 67 GLN HE21 4.640 . 4.640 3.176 2.589 4.676 0.036 13 0 "[ . 1 . 2]" 1
1864 1 63 LEU QD 1 67 GLN HE22 5.010 . 5.010 4.316 3.830 5.044 0.034 7 0 "[ . 1 . 2]" 1
1865 1 67 GLN HE22 2 40 LEU QD 5.440 . 5.440 4.704 3.235 5.457 0.017 15 0 "[ . 1 . 2]" 1
1866 1 69 ALA H 1 70 GLN QG 4.390 . 4.390 3.924 3.124 4.553 0.163 9 0 "[ . 1 . 2]" 1
1867 1 69 ALA MB 1 70 GLN QG 4.000 . 4.000 3.363 2.446 4.044 0.044 12 0 "[ . 1 . 2]" 1
1868 1 70 GLN H 1 70 GLN QG 3.380 . 3.380 2.767 1.901 3.188 . 0 0 "[ . 1 . 2]" 1
1869 1 70 GLN HA 1 70 GLN QG 3.450 . 3.450 3.020 2.424 3.516 0.066 1 0 "[ . 1 . 2]" 1
1870 1 70 GLN QB 1 70 GLN QG 2.430 . 2.430 2.021 1.947 2.062 . 0 0 "[ . 1 . 2]" 1
1871 1 70 GLN HE21 1 70 GLN QG 3.080 . 3.080 2.173 2.018 2.350 . 0 0 "[ . 1 . 2]" 1
1872 2 12 SER H 2 12 SER QB 3.460 . 3.460 2.819 2.319 3.449 . 0 0 "[ . 1 . 2]" 1
1873 2 12 SER QB 2 13 SER H 3.910 . 3.910 3.309 2.063 3.946 0.036 11 0 "[ . 1 . 2]" 1
1874 2 14 LYS H 2 14 LYS QB 3.100 . 3.100 2.305 1.834 2.411 . 0 0 "[ . 1 . 2]" 1
1875 2 14 LYS QB 2 14 LYS HG2 2.570 . 2.570 2.380 1.800 2.507 . 0 0 "[ . 1 . 2]" 1
1876 2 14 LYS QB 2 14 LYS QE 4.000 . 4.000 3.057 2.285 3.732 . 0 0 "[ . 1 . 2]" 1
1877 2 14 LYS QB 2 15 PRO HD2 3.580 . 3.580 2.916 2.263 3.644 0.064 17 0 "[ . 1 . 2]" 1
1878 2 14 LYS QB 2 16 ILE H 3.720 . 3.720 2.980 2.651 3.817 0.097 17 0 "[ . 1 . 2]" 1
1879 2 14 LYS QB 2 17 MET H 4.180 . 4.180 2.324 2.081 2.982 . 0 0 "[ . 1 . 2]" 1
1880 2 14 LYS QB 2 17 MET HB2 3.570 . 3.570 2.098 1.907 2.351 . 0 0 "[ . 1 . 2]" 1
1881 2 14 LYS QB 2 17 MET HG3 3.400 . 3.400 2.621 2.266 2.801 . 0 0 "[ . 1 . 2]" 1
1882 2 14 LYS QE 2 15 PRO QG 5.250 . 5.250 3.825 2.800 4.827 . 0 0 "[ . 1 . 2]" 1
1883 2 15 PRO QB 2 16 ILE H 4.100 . 4.100 2.940 2.390 3.229 . 0 0 "[ . 1 . 2]" 1
1884 2 15 PRO QG 2 16 ILE H 3.650 . 3.650 2.593 2.256 3.571 . 0 0 "[ . 1 . 2]" 1
1885 2 16 ILE HA 2 19 LYS QG 4.380 . 4.380 4.162 3.586 4.443 0.063 4 0 "[ . 1 . 2]" 1
1886 2 19 LYS H 2 19 LYS QG 4.180 . 4.180 3.597 2.602 4.070 . 0 0 "[ . 1 . 2]" 1
1887 2 19 LYS HA 2 19 LYS QG 3.380 . 3.380 2.382 2.209 2.533 . 0 0 "[ . 1 . 2]" 1
1888 2 19 LYS QE 2 19 LYS QG 3.460 . 3.460 2.499 2.280 2.854 . 0 0 "[ . 1 . 2]" 1
1889 2 19 LYS QG 2 20 ARG H 4.700 . 4.700 3.976 3.453 4.352 . 0 0 "[ . 1 . 2]" 1
1890 2 21 ARG QB 2 21 ARG HG2 2.550 . 2.550 2.394 2.337 2.439 . 0 0 "[ . 1 . 2]" 1
1891 2 21 ARG QB 2 21 ARG QD 3.040 . 3.040 2.247 2.016 2.373 . 0 0 "[ . 1 . 2]" 1
1892 2 26 ASN HB2 2 27 GLU QB 4.890 . 4.890 4.680 4.522 4.884 . 0 0 "[ . 1 . 2]" 1
1893 2 27 GLU QB 2 31 GLN H 5.210 . 5.210 4.847 4.570 5.069 . 0 0 "[ . 1 . 2]" 1
1894 2 29 LEU HG 2 56 LEU QD 3.420 . 3.420 2.892 2.628 3.348 . 0 0 "[ . 1 . 2]" 1
1895 2 29 LEU MD1 2 56 LEU QD 3.170 . 3.170 2.805 2.049 3.185 0.015 14 0 "[ . 1 . 2]" 1
1896 2 29 LEU MD2 2 56 LEU QD 2.990 . 2.990 2.872 2.366 3.026 0.036 10 0 "[ . 1 . 2]" 1
1897 2 31 GLN QB 2 35 LEU QD 4.200 . 4.200 2.591 2.194 3.215 . 0 0 "[ . 1 . 2]" 1
1898 2 32 LEU QD 2 33 LYS H 3.520 . 3.520 2.563 2.434 2.803 . 0 0 "[ . 1 . 2]" 1
1899 2 32 LEU QD 2 34 THR H 4.570 . 4.570 4.489 4.221 4.591 0.021 14 0 "[ . 1 . 2]" 1
1900 2 32 LEU QD 2 36 ILE H 4.900 . 4.900 4.418 3.229 4.761 . 0 0 "[ . 1 . 2]" 1
1901 2 32 LEU QD 2 59 THR H 3.880 . 3.880 3.700 3.133 3.893 0.013 6 0 "[ . 1 . 2]" 1
1902 2 32 LEU QD 2 59 THR MG 2.450 . 2.450 2.021 1.578 2.212 . 0 0 "[ . 1 . 2]" 1
1903 2 33 LYS H 2 36 ILE QG 4.970 . 4.970 4.670 4.377 4.863 . 0 0 "[ . 1 . 2]" 1
1904 2 34 THR H 2 35 LEU QD 4.600 . 4.600 4.182 3.992 4.704 0.104 11 0 "[ . 1 . 2]" 1
1905 2 34 THR H 2 36 ILE QG 5.260 . 5.260 5.174 4.934 5.281 0.021 6 0 "[ . 1 . 2]" 1
1906 2 34 THR HB 2 35 LEU QD 3.420 . 3.420 2.651 2.304 3.401 . 0 0 "[ . 1 . 2]" 1
1907 2 34 THR MG 2 35 LEU QD 3.070 . 3.070 2.580 2.239 2.829 . 0 0 "[ . 1 . 2]" 1
1908 2 35 LEU H 2 35 LEU QD 3.420 . 3.420 2.432 2.227 3.010 . 0 0 "[ . 1 . 2]" 1
1909 2 35 LEU H 2 36 ILE QG 4.390 . 4.390 4.339 4.185 4.406 0.016 2 0 "[ . 1 . 2]" 1
1910 2 35 LEU HA 2 35 LEU QD 3.030 . 3.030 1.964 1.912 2.050 . 0 0 "[ . 1 . 2]" 1
1911 2 35 LEU QD 2 36 ILE H 5.100 . 5.100 4.019 3.935 4.197 . 0 0 "[ . 1 . 2]" 1
1912 2 35 LEU QD 2 38 ASP HB2 4.200 . 4.200 3.590 2.954 4.061 . 0 0 "[ . 1 . 2]" 1
1913 2 36 ILE H 2 36 ILE QG 3.430 . 3.430 2.352 2.099 2.504 . 0 0 "[ . 1 . 2]" 1
1914 2 36 ILE HA 2 36 ILE QG 3.540 . 3.540 2.809 2.752 2.891 . 0 0 "[ . 1 . 2]" 1
1915 2 36 ILE MG 2 37 LEU QD 3.550 . 3.550 3.372 2.217 3.643 0.093 12 0 "[ . 1 . 2]" 1
1916 2 36 ILE MG 2 58 MET QG 3.730 . 3.730 2.082 1.824 3.315 . 0 0 "[ . 1 . 2]" 1
1917 2 36 ILE QG 2 37 LEU H 4.440 . 4.440 4.106 3.925 4.209 . 0 0 "[ . 1 . 2]" 1
1918 2 36 ILE QG 2 59 THR MG 2.970 . 2.970 2.081 1.916 2.236 . 0 0 "[ . 1 . 2]" 1
1919 2 36 ILE QG 2 62 HIS QB 4.790 . 4.790 4.070 3.787 4.479 . 0 0 "[ . 1 . 2]" 1
1920 2 37 LEU H 2 37 LEU QB 3.230 . 3.230 2.163 2.118 2.234 . 0 0 "[ . 1 . 2]" 1
1921 2 37 LEU H 2 37 LEU QD 3.710 . 3.710 3.432 2.422 3.656 . 0 0 "[ . 1 . 2]" 1
1922 2 37 LEU HA 2 37 LEU QD 2.870 . 2.870 2.017 1.878 2.869 . 0 0 "[ . 1 . 2]" 1
1923 2 37 LEU QB 2 37 LEU QD 2.500 . 2.500 2.059 1.819 2.106 . 0 0 "[ . 1 . 2]" 1
1924 2 37 LEU QB 2 38 ASP H 3.240 . 3.240 2.827 2.583 3.133 . 0 0 "[ . 1 . 2]" 1
1925 2 37 LEU QD 2 40 LEU H 5.280 . 5.280 4.319 4.066 4.591 . 0 0 "[ . 1 . 2]" 1
1926 2 37 LEU QD 2 41 LYS H 3.660 . 3.660 3.339 3.096 3.679 0.019 20 0 "[ . 1 . 2]" 1
1927 2 37 LEU QD 2 41 LYS HA 3.410 . 3.410 2.755 2.304 3.110 . 0 0 "[ . 1 . 2]" 1
1928 2 37 LEU QD 2 42 LYS H 3.750 . 3.750 2.347 2.072 2.610 . 0 0 "[ . 1 . 2]" 1
1929 2 37 LEU QD 2 42 LYS QB 3.530 . 3.530 2.322 1.809 2.824 . 0 0 "[ . 1 . 2]" 1
1930 2 37 LEU QD 2 42 LYS QD 3.730 . 3.730 2.821 1.881 3.803 0.073 10 0 "[ . 1 . 2]" 1
1931 2 37 LEU QD 2 42 LYS QE 4.460 . 4.460 3.678 2.072 4.281 . 0 0 "[ . 1 . 2]" 1
1932 2 37 LEU QD 2 43 ASP H 4.560 . 4.560 2.287 1.924 2.808 . 0 0 "[ . 1 . 2]" 1
1933 2 37 LEU QD 2 46 ARG QD 3.930 . 3.930 2.546 1.942 3.111 . 0 0 "[ . 1 . 2]" 1
1934 2 37 LEU QD 2 47 HIS H 3.980 . 3.980 3.663 3.247 4.012 0.032 15 0 "[ . 1 . 2]" 1
1935 2 37 LEU QD 2 47 HIS HA 4.640 . 4.640 3.085 2.172 3.627 . 0 0 "[ . 1 . 2]" 1
1936 2 37 LEU QD 2 47 HIS QB 3.330 . 3.330 2.383 2.106 2.825 . 0 0 "[ . 1 . 2]" 1
1937 2 37 LEU QD 2 50 LEU QD 2.650 . 2.650 2.407 2.042 2.751 0.101 6 0 "[ . 1 . 2]" 1
1938 2 39 ALA H 2 40 LEU QD 3.740 . 3.740 3.536 3.150 3.926 0.186 5 0 "[ . 1 . 2]" 1
1939 2 39 ALA MB 2 40 LEU QD 3.010 . 3.010 2.240 1.945 3.014 0.004 17 0 "[ . 1 . 2]" 1
1940 2 40 LEU H 2 40 LEU QD 3.320 . 3.320 2.348 1.939 2.981 . 0 0 "[ . 1 . 2]" 1
1941 2 40 LEU HA 2 40 LEU QD 3.330 . 3.330 2.726 2.111 3.101 . 0 0 "[ . 1 . 2]" 1
1942 2 40 LEU QB 2 40 LEU QD 2.590 . 2.590 1.930 1.851 1.990 . 0 0 "[ . 1 . 2]" 1
1943 2 40 LEU QD 2 41 LYS QE 5.030 . 5.030 5.056 4.676 5.434 0.404 9 0 "[ . 1 . 2]" 1
1944 2 40 LEU QD 2 42 LYS QG 4.100 . 4.100 3.114 2.697 3.700 . 0 0 "[ . 1 . 2]" 1
1945 2 40 LEU QD 2 58 MET QG 4.000 . 4.000 2.849 2.348 4.013 0.013 20 0 "[ . 1 . 2]" 1
1946 2 40 LEU QD 2 62 HIS HA 3.950 . 3.950 3.259 2.392 3.593 . 0 0 "[ . 1 . 2]" 1
1947 2 40 LEU QD 2 62 HIS QB 4.150 . 4.150 2.246 1.858 2.795 . 0 0 "[ . 1 . 2]" 1
1948 2 40 LEU QD 2 65 ASN HD21 3.910 . 3.910 2.842 2.278 3.253 . 0 0 "[ . 1 . 2]" 1
1949 2 40 LEU QD 2 65 ASN HD22 4.390 . 4.390 3.340 2.925 3.699 . 0 0 "[ . 1 . 2]" 1
1950 2 43 ASP HA 2 45 SER QB 5.340 . 5.340 5.158 4.841 5.383 0.043 14 0 "[ . 1 . 2]" 1
1951 2 43 ASP HA 2 47 HIS QB 5.340 . 5.340 5.276 5.020 5.413 0.073 13 0 "[ . 1 . 2]" 1
1952 2 43 ASP HB2 2 45 SER QB 4.590 . 4.590 4.555 4.042 4.708 0.118 12 0 "[ . 1 . 2]" 1
1953 2 43 ASP HB3 2 45 SER QB 4.500 . 4.500 3.597 2.980 4.298 . 0 0 "[ . 1 . 2]" 1
1954 2 44 SER H 2 45 SER QB 4.930 . 4.930 4.242 3.976 4.590 . 0 0 "[ . 1 . 2]" 1
1955 2 44 SER HA 2 47 HIS QB 3.940 . 3.940 2.172 1.949 2.415 . 0 0 "[ . 1 . 2]" 1
1956 2 44 SER QB 2 47 HIS QB 4.370 . 4.370 3.512 3.116 4.064 . 0 0 "[ . 1 . 2]" 1
1957 2 45 SER H 2 45 SER QB 3.300 . 3.300 2.316 2.194 2.545 . 0 0 "[ . 1 . 2]" 1
1958 2 46 ARG HA 2 50 LEU QD 4.250 . 4.250 4.351 4.065 4.495 0.245 1 0 "[ . 1 . 2]" 1
1959 2 46 ARG QD 2 47 HIS QB 4.250 . 4.250 3.930 3.326 4.299 0.049 2 0 "[ . 1 . 2]" 1
1960 2 46 ARG QD 2 50 LEU QD 3.630 . 3.630 2.708 2.219 3.148 . 0 0 "[ . 1 . 2]" 1
1961 2 47 HIS H 2 50 LEU QD 4.180 . 4.180 4.046 3.755 4.231 0.051 14 0 "[ . 1 . 2]" 1
1962 2 47 HIS HA 2 50 LEU QD 4.170 . 4.170 2.105 1.703 3.082 . 0 0 "[ . 1 . 2]" 1
1963 2 49 LYS QG 2 51 GLU QG 4.370 . 4.370 3.923 3.476 4.470 0.100 15 0 "[ . 1 . 2]" 1
1964 2 49 LYS QE 2 51 GLU QG 4.500 . 4.500 2.741 1.884 3.563 . 0 0 "[ . 1 . 2]" 1
1965 2 50 LEU H 2 50 LEU QD 3.620 . 3.620 3.373 2.907 3.722 0.102 3 0 "[ . 1 . 2]" 1
1966 2 50 LEU H 2 51 GLU QG 5.340 . 5.340 4.905 4.284 5.252 . 0 0 "[ . 1 . 2]" 1
1967 2 50 LEU HA 2 50 LEU QD 3.760 . 3.760 1.949 1.823 2.370 . 0 0 "[ . 1 . 2]" 1
1968 2 50 LEU HB2 2 54 ASP QB 5.340 . 5.340 4.723 4.271 5.192 . 0 0 "[ . 1 . 2]" 1
1969 2 50 LEU QD 2 51 GLU H 4.230 . 4.230 3.001 2.291 3.447 . 0 0 "[ . 1 . 2]" 1
1970 2 50 LEU QD 2 54 ASP H 4.440 . 4.440 4.292 3.952 4.489 0.049 19 0 "[ . 1 . 2]" 1
1971 2 50 LEU QD 2 54 ASP HA 4.050 . 4.050 4.115 4.004 4.222 0.172 1 0 "[ . 1 . 2]" 1
1972 2 50 LEU QD 2 54 ASP QB 2.980 . 2.980 2.078 1.839 2.388 . 0 0 "[ . 1 . 2]" 1
1973 2 50 LEU QD 2 55 ILE H 3.290 . 3.290 3.216 2.736 3.411 0.121 19 0 "[ . 1 . 2]" 1
1974 2 50 LEU QD 2 55 ILE HA 3.620 . 3.620 2.763 2.489 3.065 . 0 0 "[ . 1 . 2]" 1
1975 2 50 LEU QD 2 58 MET H 4.870 . 4.870 4.767 4.564 4.955 0.085 15 0 "[ . 1 . 2]" 1
1976 2 50 LEU QD 2 58 MET QG 4.810 . 4.810 3.613 2.841 4.354 . 0 0 "[ . 1 . 2]" 1
1977 2 51 GLU H 2 51 GLU QG 3.320 . 3.320 2.363 2.113 2.605 . 0 0 "[ . 1 . 2]" 1
1978 2 51 GLU HB2 2 54 ASP QB 3.910 . 3.910 2.791 1.984 3.335 . 0 0 "[ . 1 . 2]" 1
1979 2 51 GLU QG 2 54 ASP QB 5.070 . 5.070 3.761 2.997 4.386 . 0 0 "[ . 1 . 2]" 1
1980 2 51 GLU QG 2 55 ILE MD 5.340 . 5.340 5.232 4.960 5.390 0.050 1 0 "[ . 1 . 2]" 1
1981 2 52 LYS HG2 2 56 LEU QD 4.220 . 4.220 2.561 2.224 2.855 . 0 0 "[ . 1 . 2]" 1
1982 2 52 LYS QE 2 56 LEU QD 3.910 . 3.910 3.850 3.530 4.103 0.193 9 0 "[ . 1 . 2]" 1
1983 2 53 ALA H 2 56 LEU QD 4.770 . 4.770 4.184 3.842 4.595 . 0 0 "[ . 1 . 2]" 1
1984 2 53 ALA MB 2 54 ASP QB 5.170 . 5.170 4.063 3.568 4.461 . 0 0 "[ . 1 . 2]" 1
1985 2 54 ASP H 2 56 LEU QD 5.440 . 5.440 4.716 4.368 5.204 . 0 0 "[ . 1 . 2]" 1
1986 2 54 ASP QB 2 55 ILE H 3.680 . 3.680 2.341 2.082 2.517 . 0 0 "[ . 1 . 2]" 1
1987 2 54 ASP QB 2 55 ILE QG 4.890 . 4.890 2.806 2.654 2.946 . 0 0 "[ . 1 . 2]" 1
1988 2 54 ASP QB 2 55 ILE MD 3.950 . 3.950 4.028 3.856 4.141 0.191 7 0 "[ . 1 . 2]" 1
1989 2 55 ILE HA 2 56 LEU QD 5.260 . 5.260 4.864 4.558 5.216 . 0 0 "[ . 1 . 2]" 1
1990 2 55 ILE HB 2 56 LEU QD 3.610 . 3.610 3.151 2.694 3.630 0.020 11 0 "[ . 1 . 2]" 1
1991 2 55 ILE MG 2 56 LEU QD 3.450 . 3.450 2.983 2.592 3.451 0.001 15 0 "[ . 1 . 2]" 1
1992 2 56 LEU H 2 56 LEU QD 3.830 . 3.830 2.548 2.245 3.003 . 0 0 "[ . 1 . 2]" 1
1993 2 56 LEU HA 2 56 LEU QD 3.400 . 3.400 2.235 2.095 2.402 . 0 0 "[ . 1 . 2]" 1
1994 2 56 LEU QD 2 58 MET H 5.440 . 5.440 5.219 5.122 5.381 . 0 0 "[ . 1 . 2]" 1
1995 2 58 MET H 2 58 MET QG 4.290 . 4.290 3.959 2.525 4.122 . 0 0 "[ . 1 . 2]" 1
1996 2 58 MET HA 2 62 HIS QB 5.100 . 5.100 4.668 4.312 5.000 . 0 0 "[ . 1 . 2]" 1
1997 2 59 THR H 2 62 HIS QB 4.770 . 4.770 4.760 4.675 4.835 0.065 4 0 "[ . 1 . 2]" 1
1998 2 59 THR HA 2 62 HIS QB 3.760 . 3.760 2.745 2.560 2.944 . 0 0 "[ . 1 . 2]" 1
1999 2 59 THR MG 2 62 HIS QB 5.130 . 5.130 3.910 3.602 4.180 . 0 0 "[ . 1 . 2]" 1
2000 2 61 LYS H 2 62 HIS QB 5.340 . 5.340 4.472 4.286 4.695 . 0 0 "[ . 1 . 2]" 1
2001 2 62 HIS H 2 62 HIS QB 3.630 . 3.630 2.271 2.197 2.370 . 0 0 "[ . 1 . 2]" 1
2002 2 62 HIS QB 2 65 ASN HD22 5.340 . 5.340 4.371 3.867 4.855 . 0 0 "[ . 1 . 2]" 1
2003 2 63 LEU H 2 63 LEU QD 4.270 . 4.270 3.608 3.131 3.753 . 0 0 "[ . 1 . 2]" 1
2004 2 63 LEU QD 2 64 ARG H 3.700 . 3.700 3.373 2.662 3.740 0.040 14 0 "[ . 1 . 2]" 1
2005 2 63 LEU QD 2 64 ARG QD 3.430 . 3.430 2.668 1.976 3.396 . 0 0 "[ . 1 . 2]" 1
2006 2 63 LEU QD 2 66 LEU H 5.300 . 5.300 4.687 4.167 5.132 . 0 0 "[ . 1 . 2]" 1
2007 2 63 LEU QD 2 67 GLN H 5.000 . 5.000 3.839 3.563 4.381 . 0 0 "[ . 1 . 2]" 1
2008 2 63 LEU QD 2 67 GLN HB2 3.530 . 3.530 3.363 2.834 3.614 0.084 16 0 "[ . 1 . 2]" 1
2009 2 63 LEU QD 2 67 GLN HG2 4.240 . 4.240 2.515 2.150 3.317 . 0 0 "[ . 1 . 2]" 1
2010 2 63 LEU QD 2 67 GLN HG3 3.500 . 3.500 2.324 1.920 2.766 . 0 0 "[ . 1 . 2]" 1
2011 2 63 LEU QD 2 67 GLN HE21 4.640 . 4.640 3.200 2.466 4.167 . 0 0 "[ . 1 . 2]" 1
2012 2 63 LEU QD 2 67 GLN HE22 5.010 . 5.010 4.294 3.841 5.053 0.043 2 0 "[ . 1 . 2]" 1
2013 2 69 ALA H 2 70 GLN QG 4.390 . 4.390 3.845 2.977 4.465 0.075 16 0 "[ . 1 . 2]" 1
2014 2 69 ALA MB 2 70 GLN QG 4.000 . 4.000 3.644 2.447 4.111 0.111 1 0 "[ . 1 . 2]" 1
2015 2 70 GLN H 2 70 GLN QG 3.380 . 3.380 2.674 1.884 3.197 . 0 0 "[ . 1 . 2]" 1
2016 2 70 GLN HA 2 70 GLN QG 3.450 . 3.450 3.059 2.327 3.523 0.073 2 0 "[ . 1 . 2]" 1
2017 2 70 GLN QB 2 70 GLN QG 2.430 . 2.430 2.015 1.953 2.067 . 0 0 "[ . 1 . 2]" 1
2018 2 70 GLN HE21 2 70 GLN QG 3.080 . 3.080 2.154 2.032 2.289 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 140
_Distance_constraint_stats_list.Viol_count 495
_Distance_constraint_stats_list.Viol_total 223.185
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0225
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 PRO 0.330 0.040 18 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 MET 0.038 0.034 12 0 "[ . 1 . 2]"
1 18 GLU 0.539 0.067 10 0 "[ . 1 . 2]"
1 19 LYS 0.393 0.040 18 0 "[ . 1 . 2]"
1 20 ARG 0.092 0.046 15 0 "[ . 1 . 2]"
1 21 ARG 0.366 0.069 10 0 "[ . 1 . 2]"
1 22 ARG 0.539 0.067 10 0 "[ . 1 . 2]"
1 23 ALA 0.149 0.028 6 0 "[ . 1 . 2]"
1 24 ARG 0.258 0.046 15 0 "[ . 1 . 2]"
1 25 ILE 0.382 0.069 10 0 "[ . 1 . 2]"
1 26 ASN 0.121 0.030 12 0 "[ . 1 . 2]"
1 27 GLU 0.236 0.036 19 0 "[ . 1 . 2]"
1 28 SER 0.227 0.045 15 0 "[ . 1 . 2]"
1 29 LEU 0.055 0.018 2 0 "[ . 1 . 2]"
1 30 SER 0.468 0.071 5 0 "[ . 1 . 2]"
1 31 GLN 0.287 0.041 19 0 "[ . 1 . 2]"
1 32 LEU 0.107 0.045 15 0 "[ . 1 . 2]"
1 33 LYS 0.014 0.011 7 0 "[ . 1 . 2]"
1 34 THR 0.413 0.071 5 0 "[ . 1 . 2]"
1 35 LEU 0.286 0.042 3 0 "[ . 1 . 2]"
1 36 ILE 0.762 0.139 14 0 "[ . 1 . 2]"
1 37 LEU 0.014 0.011 7 0 "[ . 1 . 2]"
1 38 ASP 0.065 0.040 6 0 "[ . 1 . 2]"
1 39 ALA 0.149 0.042 3 0 "[ . 1 . 2]"
1 40 LEU 0.717 0.139 14 0 "[ . 1 . 2]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ALA 0.166 0.054 19 0 "[ . 1 . 2]"
1 54 ASP 0.164 0.033 18 0 "[ . 1 . 2]"
1 55 ILE 0.169 0.046 8 0 "[ . 1 . 2]"
1 56 LEU 0.124 0.049 8 0 "[ . 1 . 2]"
1 57 GLU 0.773 0.056 8 0 "[ . 1 . 2]"
1 58 MET 0.178 0.033 18 0 "[ . 1 . 2]"
1 59 THR 0.237 0.046 8 0 "[ . 1 . 2]"
1 60 VAL 0.665 0.074 14 0 "[ . 1 . 2]"
1 61 LYS 0.698 0.056 8 0 "[ . 1 . 2]"
1 62 HIS 0.046 0.033 5 0 "[ . 1 . 2]"
1 63 LEU 0.176 0.055 11 0 "[ . 1 . 2]"
1 64 ARG 0.786 0.120 11 0 "[ . 1 . 2]"
1 65 ASN 0.091 0.043 11 0 "[ . 1 . 2]"
1 66 LEU 0.033 0.033 5 0 "[ . 1 . 2]"
1 67 GLN 0.108 0.055 11 0 "[ . 1 . 2]"
1 68 ARG 0.246 0.120 11 0 "[ . 1 . 2]"
2 15 PRO 0.349 0.061 6 0 "[ . 1 . 2]"
2 16 ILE 0.012 0.012 11 0 "[ . 1 . 2]"
2 17 MET 0.045 0.024 10 0 "[ . 1 . 2]"
2 18 GLU 0.306 0.067 14 0 "[ . 1 . 2]"
2 19 LYS 0.460 0.061 6 0 "[ . 1 . 2]"
2 20 ARG 0.043 0.012 20 0 "[ . 1 . 2]"
2 21 ARG 0.442 0.061 12 0 "[ . 1 . 2]"
2 22 ARG 0.306 0.067 14 0 "[ . 1 . 2]"
2 23 ALA 0.199 0.027 11 0 "[ . 1 . 2]"
2 24 ARG 0.169 0.040 3 0 "[ . 1 . 2]"
2 25 ILE 0.463 0.061 12 0 "[ . 1 . 2]"
2 26 ASN 0.036 0.018 9 0 "[ . 1 . 2]"
2 27 GLU 0.342 0.047 14 0 "[ . 1 . 2]"
2 28 SER 0.244 0.054 5 0 "[ . 1 . 2]"
2 29 LEU 0.073 0.056 5 0 "[ . 1 . 2]"
2 30 SER 0.218 0.055 4 0 "[ . 1 . 2]"
2 31 GLN 0.375 0.047 14 0 "[ . 1 . 2]"
2 32 LEU 0.106 0.054 5 0 "[ . 1 . 2]"
2 33 LYS 0.039 0.019 6 0 "[ . 1 . 2]"
2 34 THR 0.217 0.055 4 0 "[ . 1 . 2]"
2 35 LEU 0.317 0.039 20 0 "[ . 1 . 2]"
2 36 ILE 0.422 0.096 20 0 "[ . 1 . 2]"
2 37 LEU 0.033 0.019 6 0 "[ . 1 . 2]"
2 38 ASP 0.034 0.013 15 0 "[ . 1 . 2]"
2 39 ALA 0.196 0.039 20 0 "[ . 1 . 2]"
2 40 LEU 0.422 0.096 20 0 "[ . 1 . 2]"
2 52 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 ALA 0.223 0.062 3 0 "[ . 1 . 2]"
2 54 ASP 0.182 0.067 3 0 "[ . 1 . 2]"
2 55 ILE 0.097 0.031 8 0 "[ . 1 . 2]"
2 56 LEU 0.037 0.025 1 0 "[ . 1 . 2]"
2 57 GLU 0.874 0.062 3 0 "[ . 1 . 2]"
2 58 MET 0.196 0.067 3 0 "[ . 1 . 2]"
2 59 THR 0.152 0.031 8 0 "[ . 1 . 2]"
2 60 VAL 0.541 0.089 10 0 "[ . 1 . 2]"
2 61 LYS 0.777 0.054 1 0 "[ . 1 . 2]"
2 62 HIS 0.015 0.015 7 0 "[ . 1 . 2]"
2 63 LEU 0.118 0.024 2 0 "[ . 1 . 2]"
2 64 ARG 0.943 0.089 10 0 "[ . 1 . 2]"
2 65 ASN 0.127 0.039 4 0 "[ . 1 . 2]"
2 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 0.063 0.024 2 0 "[ . 1 . 2]"
2 68 ARG 0.439 0.080 7 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 15 PRO O 1 19 LYS H 2.000 . 2.300 2.288 2.107 2.340 0.040 18 0 "[ . 1 . 2]" 2
2 1 15 PRO O 1 19 LYS N 3.000 2.800 3.300 3.053 2.871 3.143 . 0 0 "[ . 1 . 2]" 2
3 1 16 ILE O 1 20 ARG H 2.000 . 2.300 2.018 1.851 2.245 . 0 0 "[ . 1 . 2]" 2
4 1 16 ILE O 1 20 ARG N 3.000 2.800 3.300 2.952 2.813 3.175 . 0 0 "[ . 1 . 2]" 2
5 1 17 MET O 1 21 ARG H 2.000 . 2.300 2.007 1.814 2.304 0.004 20 0 "[ . 1 . 2]" 2
6 1 17 MET O 1 21 ARG N 3.000 2.800 3.300 2.950 2.766 3.224 0.034 12 0 "[ . 1 . 2]" 2
7 1 18 GLU O 1 22 ARG H 2.000 . 2.300 1.846 1.781 1.962 0.019 20 0 "[ . 1 . 2]" 2
8 1 18 GLU O 1 22 ARG N 3.000 2.800 3.300 2.781 2.733 2.867 0.067 10 0 "[ . 1 . 2]" 2
9 1 19 LYS O 1 23 ALA H 2.000 . 2.300 1.995 1.815 2.322 0.022 12 0 "[ . 1 . 2]" 2
10 1 19 LYS O 1 23 ALA N 3.000 2.800 3.300 2.926 2.786 3.244 0.014 8 0 "[ . 1 . 2]" 2
11 1 20 ARG O 1 24 ARG H 2.000 . 2.300 2.154 1.880 2.346 0.046 15 0 "[ . 1 . 2]" 2
12 1 20 ARG O 1 24 ARG N 3.000 2.800 3.300 3.101 2.836 3.298 . 0 0 "[ . 1 . 2]" 2
13 1 21 ARG O 1 25 ILE H 2.000 . 2.300 1.883 1.814 2.054 . 0 0 "[ . 1 . 2]" 2
14 1 21 ARG O 1 25 ILE N 3.000 2.800 3.300 2.794 2.731 2.959 0.069 10 0 "[ . 1 . 2]" 2
15 1 22 ARG O 1 26 ASN H 2.000 . 2.300 2.033 1.823 2.166 . 0 0 "[ . 1 . 2]" 2
16 1 22 ARG O 1 26 ASN N 3.000 2.800 3.300 3.004 2.806 3.137 . 0 0 "[ . 1 . 2]" 2
17 1 23 ALA O 1 27 GLU H 2.000 . 2.300 1.881 1.795 1.984 0.005 6 0 "[ . 1 . 2]" 2
18 1 23 ALA O 1 27 GLU N 3.000 2.800 3.300 2.847 2.772 2.945 0.028 6 0 "[ . 1 . 2]" 2
19 1 24 ARG O 1 28 SER H 2.000 . 2.300 1.951 1.867 2.164 . 0 0 "[ . 1 . 2]" 2
20 1 24 ARG O 1 28 SER N 3.000 2.800 3.300 2.830 2.763 2.988 0.037 5 0 "[ . 1 . 2]" 2
21 1 25 ILE O 1 29 LEU H 2.000 . 2.300 1.899 1.816 2.039 . 0 0 "[ . 1 . 2]" 2
22 1 25 ILE O 1 29 LEU N 3.000 2.800 3.300 2.852 2.782 2.958 0.018 2 0 "[ . 1 . 2]" 2
23 1 26 ASN O 1 30 SER H 2.000 . 2.300 1.957 1.834 2.081 . 0 0 "[ . 1 . 2]" 2
24 1 26 ASN O 1 30 SER N 3.000 2.800 3.300 2.868 2.770 2.997 0.030 12 0 "[ . 1 . 2]" 2
25 1 27 GLU O 1 31 GLN H 2.000 . 2.300 2.259 2.034 2.336 0.036 19 0 "[ . 1 . 2]" 2
26 1 27 GLU O 1 31 GLN N 3.000 2.800 3.300 3.213 2.981 3.289 . 0 0 "[ . 1 . 2]" 2
27 1 28 SER O 1 32 LEU H 2.000 . 2.300 2.004 1.840 2.159 . 0 0 "[ . 1 . 2]" 2
28 1 28 SER O 1 32 LEU N 3.000 2.800 3.300 2.874 2.755 2.996 0.045 15 0 "[ . 1 . 2]" 2
29 1 29 LEU O 1 33 LYS H 2.000 . 2.300 2.060 1.946 2.251 . 0 0 "[ . 1 . 2]" 2
30 1 29 LEU O 1 33 LYS N 3.000 2.800 3.300 3.038 2.912 3.229 . 0 0 "[ . 1 . 2]" 2
31 1 30 SER O 1 34 THR H 2.000 . 2.300 2.245 2.032 2.371 0.071 5 0 "[ . 1 . 2]" 2
32 1 30 SER O 1 34 THR N 3.000 2.800 3.300 3.118 2.900 3.257 . 0 0 "[ . 1 . 2]" 2
33 1 31 GLN O 1 35 LEU H 2.000 . 2.300 1.857 1.797 2.048 0.003 3 0 "[ . 1 . 2]" 2
34 1 31 GLN O 1 35 LEU N 3.000 2.800 3.300 2.827 2.759 3.023 0.041 19 0 "[ . 1 . 2]" 2
35 1 32 LEU O 1 36 ILE H 2.000 . 2.300 2.083 1.880 2.330 0.030 8 0 "[ . 1 . 2]" 2
36 1 32 LEU O 1 36 ILE N 3.000 2.800 3.300 3.029 2.835 3.266 . 0 0 "[ . 1 . 2]" 2
37 1 33 LYS O 1 37 LEU H 2.000 . 2.300 2.036 1.868 2.311 0.011 7 0 "[ . 1 . 2]" 2
38 1 33 LYS O 1 37 LEU N 3.000 2.800 3.300 2.972 2.810 3.251 . 0 0 "[ . 1 . 2]" 2
39 1 34 THR O 1 38 ASP H 2.000 . 2.300 2.112 1.901 2.340 0.040 6 0 "[ . 1 . 2]" 2
40 1 34 THR O 1 38 ASP N 3.000 2.800 3.300 2.946 2.789 3.152 0.011 12 0 "[ . 1 . 2]" 2
41 1 35 LEU O 1 39 ALA H 2.000 . 2.300 2.096 1.838 2.342 0.042 3 0 "[ . 1 . 2]" 2
42 1 35 LEU O 1 39 ALA N 3.000 2.800 3.300 2.889 2.767 3.050 0.033 13 0 "[ . 1 . 2]" 2
43 1 36 ILE O 1 40 LEU H 2.000 . 2.300 2.223 1.947 2.439 0.139 14 0 "[ . 1 . 2]" 2
44 1 36 ILE O 1 40 LEU N 3.000 2.800 3.300 3.117 2.870 3.358 0.058 13 0 "[ . 1 . 2]" 2
45 1 52 LYS O 1 56 LEU H 2.000 . 2.300 2.022 1.911 2.129 . 0 0 "[ . 1 . 2]" 2
46 1 52 LYS O 1 56 LEU N 3.000 2.800 3.300 2.992 2.887 3.099 . 0 0 "[ . 1 . 2]" 2
47 1 53 ALA O 1 57 GLU H 2.000 . 2.300 2.205 1.884 2.354 0.054 19 0 "[ . 1 . 2]" 2
48 1 53 ALA O 1 57 GLU N 3.000 2.800 3.300 3.164 2.855 3.311 0.011 4 0 "[ . 1 . 2]" 2
49 1 54 ASP O 1 58 MET H 2.000 . 2.300 2.154 1.929 2.322 0.022 4 0 "[ . 1 . 2]" 2
50 1 54 ASP O 1 58 MET N 3.000 2.800 3.300 2.944 2.767 3.176 0.033 18 0 "[ . 1 . 2]" 2
51 1 55 ILE O 1 59 THR H 2.000 . 2.300 2.243 2.066 2.346 0.046 8 0 "[ . 1 . 2]" 2
52 1 55 ILE O 1 59 THR N 3.000 2.800 3.300 3.158 2.984 3.309 0.009 8 0 "[ . 1 . 2]" 2
53 1 56 LEU O 1 60 VAL H 2.000 . 2.300 2.167 1.992 2.349 0.049 8 0 "[ . 1 . 2]" 2
54 1 56 LEU O 1 60 VAL N 3.000 2.800 3.300 3.102 2.942 3.288 . 0 0 "[ . 1 . 2]" 2
55 1 57 GLU O 1 61 LYS H 2.000 . 2.300 1.810 1.778 1.836 0.022 12 0 "[ . 1 . 2]" 2
56 1 57 GLU O 1 61 LYS N 3.000 2.800 3.300 2.773 2.744 2.809 0.056 8 0 "[ . 1 . 2]" 2
57 1 58 MET O 1 62 HIS H 2.000 . 2.300 2.040 1.898 2.313 0.013 7 0 "[ . 1 . 2]" 2
58 1 58 MET O 1 62 HIS N 3.000 2.800 3.300 2.922 2.809 3.127 . 0 0 "[ . 1 . 2]" 2
59 1 59 THR O 1 63 LEU H 2.000 . 2.300 2.211 2.001 2.329 0.029 17 0 "[ . 1 . 2]" 2
60 1 59 THR O 1 63 LEU N 3.000 2.800 3.300 2.983 2.830 3.133 . 0 0 "[ . 1 . 2]" 2
61 1 60 VAL O 1 64 ARG H 2.000 . 2.300 2.311 2.102 2.374 0.074 14 0 "[ . 1 . 2]" 2
62 1 60 VAL O 1 64 ARG N 3.000 2.800 3.300 3.203 2.969 3.294 . 0 0 "[ . 1 . 2]" 2
63 1 61 LYS O 1 65 ASN H 2.000 . 2.300 2.199 1.847 2.343 0.043 11 0 "[ . 1 . 2]" 2
64 1 61 LYS O 1 65 ASN N 3.000 2.800 3.300 3.112 2.799 3.255 0.001 2 0 "[ . 1 . 2]" 2
65 1 62 HIS O 1 66 LEU H 2.000 . 2.300 1.942 1.805 2.176 . 0 0 "[ . 1 . 2]" 2
66 1 62 HIS O 1 66 LEU N 3.000 2.800 3.300 2.907 2.767 3.142 0.033 5 0 "[ . 1 . 2]" 2
67 1 63 LEU O 1 67 GLN H 2.000 . 2.300 1.982 1.855 2.272 . 0 0 "[ . 1 . 2]" 2
68 1 63 LEU O 1 67 GLN N 3.000 2.800 3.300 2.848 2.745 3.016 0.055 11 0 "[ . 1 . 2]" 2
69 1 64 ARG O 1 68 ARG H 2.000 . 2.300 2.193 1.995 2.420 0.120 11 0 "[ . 1 . 2]" 2
70 1 64 ARG O 1 68 ARG N 3.000 2.800 3.300 2.941 2.837 3.094 . 0 0 "[ . 1 . 2]" 2
71 2 15 PRO O 2 19 LYS H 2.000 . 2.300 2.286 2.134 2.361 0.061 6 0 "[ . 1 . 2]" 2
72 2 15 PRO O 2 19 LYS N 3.000 2.800 3.300 3.075 2.945 3.210 . 0 0 "[ . 1 . 2]" 2
73 2 16 ILE O 2 20 ARG H 2.000 . 2.300 2.051 1.818 2.231 . 0 0 "[ . 1 . 2]" 2
74 2 16 ILE O 2 20 ARG N 3.000 2.800 3.300 2.988 2.788 3.182 0.012 11 0 "[ . 1 . 2]" 2
75 2 17 MET O 2 21 ARG H 2.000 . 2.300 2.013 1.841 2.233 . 0 0 "[ . 1 . 2]" 2
76 2 17 MET O 2 21 ARG N 3.000 2.800 3.300 2.959 2.776 3.174 0.024 10 0 "[ . 1 . 2]" 2
77 2 18 GLU O 2 22 ARG H 2.000 . 2.300 1.850 1.781 1.920 0.019 13 0 "[ . 1 . 2]" 2
78 2 18 GLU O 2 22 ARG N 3.000 2.800 3.300 2.803 2.733 2.900 0.067 14 0 "[ . 1 . 2]" 2
79 2 19 LYS O 2 23 ALA H 2.000 . 2.300 1.931 1.802 2.212 . 0 0 "[ . 1 . 2]" 2
80 2 19 LYS O 2 23 ALA N 3.000 2.800 3.300 2.881 2.773 3.151 0.027 11 0 "[ . 1 . 2]" 2
81 2 20 ARG O 2 24 ARG H 2.000 . 2.300 2.106 1.873 2.312 0.012 20 0 "[ . 1 . 2]" 2
82 2 20 ARG O 2 24 ARG N 3.000 2.800 3.300 3.053 2.806 3.275 . 0 0 "[ . 1 . 2]" 2
83 2 21 ARG O 2 25 ILE H 2.000 . 2.300 1.884 1.829 1.971 . 0 0 "[ . 1 . 2]" 2
84 2 21 ARG O 2 25 ILE N 3.000 2.800 3.300 2.787 2.739 2.889 0.061 12 0 "[ . 1 . 2]" 2
85 2 22 ARG O 2 26 ASN H 2.000 . 2.300 2.059 1.861 2.270 . 0 0 "[ . 1 . 2]" 2
86 2 22 ARG O 2 26 ASN N 3.000 2.800 3.300 3.027 2.841 3.230 . 0 0 "[ . 1 . 2]" 2
87 2 23 ALA O 2 27 GLU H 2.000 . 2.300 1.887 1.806 2.023 . 0 0 "[ . 1 . 2]" 2
88 2 23 ALA O 2 27 GLU N 3.000 2.800 3.300 2.852 2.777 2.986 0.023 8 0 "[ . 1 . 2]" 2
89 2 24 ARG O 2 28 SER H 2.000 . 2.300 1.952 1.854 2.114 . 0 0 "[ . 1 . 2]" 2
90 2 24 ARG O 2 28 SER N 3.000 2.800 3.300 2.832 2.760 2.947 0.040 3 0 "[ . 1 . 2]" 2
91 2 25 ILE O 2 29 LEU H 2.000 . 2.300 1.957 1.789 2.059 0.011 5 0 "[ . 1 . 2]" 2
92 2 25 ILE O 2 29 LEU N 3.000 2.800 3.300 2.903 2.744 3.026 0.056 5 0 "[ . 1 . 2]" 2
93 2 26 ASN O 2 30 SER H 2.000 . 2.300 1.963 1.852 2.087 . 0 0 "[ . 1 . 2]" 2
94 2 26 ASN O 2 30 SER N 3.000 2.800 3.300 2.862 2.782 2.956 0.018 9 0 "[ . 1 . 2]" 2
95 2 27 GLU O 2 31 GLN H 2.000 . 2.300 2.220 1.998 2.347 0.047 14 0 "[ . 1 . 2]" 2
96 2 27 GLU O 2 31 GLN N 3.000 2.800 3.300 3.180 2.966 3.309 0.009 14 0 "[ . 1 . 2]" 2
97 2 28 SER O 2 32 LEU H 2.000 . 2.300 2.017 1.830 2.294 . 0 0 "[ . 1 . 2]" 2
98 2 28 SER O 2 32 LEU N 3.000 2.800 3.300 2.890 2.746 3.123 0.054 5 0 "[ . 1 . 2]" 2
99 2 29 LEU O 2 33 LYS H 2.000 . 2.300 2.024 1.825 2.166 . 0 0 "[ . 1 . 2]" 2
100 2 29 LEU O 2 33 LYS N 3.000 2.800 3.300 3.001 2.794 3.146 0.006 6 0 "[ . 1 . 2]" 2
101 2 30 SER O 2 34 THR H 2.000 . 2.300 2.202 1.959 2.355 0.055 4 0 "[ . 1 . 2]" 2
102 2 30 SER O 2 34 THR N 3.000 2.800 3.300 3.078 2.863 3.234 . 0 0 "[ . 1 . 2]" 2
103 2 31 GLN O 2 35 LEU H 2.000 . 2.300 1.864 1.799 2.058 0.001 7 0 "[ . 1 . 2]" 2
104 2 31 GLN O 2 35 LEU N 3.000 2.800 3.300 2.837 2.770 3.012 0.030 16 0 "[ . 1 . 2]" 2
105 2 32 LEU O 2 36 ILE H 2.000 . 2.300 2.028 1.863 2.292 . 0 0 "[ . 1 . 2]" 2
106 2 32 LEU O 2 36 ILE N 3.000 2.800 3.300 2.972 2.800 3.214 0.000 19 0 "[ . 1 . 2]" 2
107 2 33 LYS O 2 37 LEU H 2.000 . 2.300 2.054 1.869 2.319 0.019 6 0 "[ . 1 . 2]" 2
108 2 33 LYS O 2 37 LEU N 3.000 2.800 3.300 3.003 2.786 3.271 0.014 14 0 "[ . 1 . 2]" 2
109 2 34 THR O 2 38 ASP H 2.000 . 2.300 2.149 1.915 2.313 0.013 15 0 "[ . 1 . 2]" 2
110 2 34 THR O 2 38 ASP N 3.000 2.800 3.300 2.988 2.798 3.146 0.002 5 0 "[ . 1 . 2]" 2
111 2 35 LEU O 2 39 ALA H 2.000 . 2.300 2.129 1.883 2.336 0.036 11 0 "[ . 1 . 2]" 2
112 2 35 LEU O 2 39 ALA N 3.000 2.800 3.300 2.903 2.761 3.075 0.039 20 0 "[ . 1 . 2]" 2
113 2 36 ILE O 2 40 LEU H 2.000 . 2.300 2.177 1.857 2.396 0.096 20 0 "[ . 1 . 2]" 2
114 2 36 ILE O 2 40 LEU N 3.000 2.800 3.300 3.077 2.805 3.285 . 0 0 "[ . 1 . 2]" 2
115 2 52 LYS O 2 56 LEU H 2.000 . 2.300 1.975 1.883 2.114 . 0 0 "[ . 1 . 2]" 2
116 2 52 LYS O 2 56 LEU N 3.000 2.800 3.300 2.947 2.856 3.093 . 0 0 "[ . 1 . 2]" 2
117 2 53 ALA O 2 57 GLU H 2.000 . 2.300 2.261 2.000 2.362 0.062 3 0 "[ . 1 . 2]" 2
118 2 53 ALA O 2 57 GLU N 3.000 2.800 3.300 3.205 2.958 3.301 0.001 3 0 "[ . 1 . 2]" 2
119 2 54 ASP O 2 58 MET H 2.000 . 2.300 2.035 1.890 2.261 . 0 0 "[ . 1 . 2]" 2
120 2 54 ASP O 2 58 MET N 3.000 2.800 3.300 2.860 2.733 3.085 0.067 3 0 "[ . 1 . 2]" 2
121 2 55 ILE O 2 59 THR H 2.000 . 2.300 2.260 2.160 2.331 0.031 8 0 "[ . 1 . 2]" 2
122 2 55 ILE O 2 59 THR N 3.000 2.800 3.300 3.161 3.054 3.282 . 0 0 "[ . 1 . 2]" 2
123 2 56 LEU O 2 60 VAL H 2.000 . 2.300 2.207 1.996 2.325 0.025 1 0 "[ . 1 . 2]" 2
124 2 56 LEU O 2 60 VAL N 3.000 2.800 3.300 3.142 2.945 3.252 . 0 0 "[ . 1 . 2]" 2
125 2 57 GLU O 2 61 LYS H 2.000 . 2.300 1.805 1.787 1.859 0.013 3 0 "[ . 1 . 2]" 2
126 2 57 GLU O 2 61 LYS N 3.000 2.800 3.300 2.771 2.746 2.804 0.054 1 0 "[ . 1 . 2]" 2
127 2 58 MET O 2 62 HIS H 2.000 . 2.300 2.067 1.860 2.315 0.015 7 0 "[ . 1 . 2]" 2
128 2 58 MET O 2 62 HIS N 3.000 2.800 3.300 2.946 2.808 3.143 . 0 0 "[ . 1 . 2]" 2
129 2 59 THR O 2 63 LEU H 2.000 . 2.300 2.207 2.056 2.321 0.021 12 0 "[ . 1 . 2]" 2
130 2 59 THR O 2 63 LEU N 3.000 2.800 3.300 2.993 2.839 3.142 . 0 0 "[ . 1 . 2]" 2
131 2 60 VAL O 2 64 ARG H 2.000 . 2.300 2.298 2.154 2.389 0.089 10 0 "[ . 1 . 2]" 2
132 2 60 VAL O 2 64 ARG N 3.000 2.800 3.300 3.186 3.050 3.334 0.034 19 0 "[ . 1 . 2]" 2
133 2 61 LYS O 2 65 ASN H 2.000 . 2.300 2.220 1.937 2.339 0.039 4 0 "[ . 1 . 2]" 2
134 2 61 LYS O 2 65 ASN N 3.000 2.800 3.300 3.143 2.883 3.289 . 0 0 "[ . 1 . 2]" 2
135 2 62 HIS O 2 66 LEU H 2.000 . 2.300 1.953 1.843 2.048 . 0 0 "[ . 1 . 2]" 2
136 2 62 HIS O 2 66 LEU N 3.000 2.800 3.300 2.924 2.812 3.029 . 0 0 "[ . 1 . 2]" 2
137 2 63 LEU O 2 67 GLN H 2.000 . 2.300 2.013 1.889 2.324 0.024 2 0 "[ . 1 . 2]" 2
138 2 63 LEU O 2 67 GLN N 3.000 2.800 3.300 2.862 2.778 2.973 0.022 6 0 "[ . 1 . 2]" 2
139 2 64 ARG O 2 68 ARG H 2.000 . 2.300 2.254 1.973 2.380 0.080 7 0 "[ . 1 . 2]" 2
140 2 64 ARG O 2 68 ARG N 3.000 2.800 3.300 2.945 2.805 3.115 . 0 0 "[ . 1 . 2]" 2
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