NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396712 |
1skt   |
4232 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1skt
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 1013
_Distance_constraint_stats_list.Viol_count 548
_Distance_constraint_stats_list.Viol_total 400.474
_Distance_constraint_stats_list.Viol_max 0.688
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0183
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 2 SER 0.033 0.010 29 0 "[ . 1 . 2 . 3 . 4]"
1 3 MET 0.194 0.019 15 0 "[ . 1 . 2 . 3 . 4]"
1 4 THR 0.227 0.019 15 0 "[ . 1 . 2 . 3 . 4]"
1 5 ASP 0.073 0.018 28 0 "[ . 1 . 2 . 3 . 4]"
1 6 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 7 GLN 0.073 0.018 28 0 "[ . 1 . 2 . 3 . 4]"
1 8 ALA 0.218 0.037 7 0 "[ . 1 . 2 . 3 . 4]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 10 ALA 1.036 0.115 30 0 "[ . 1 . 2 . 3 . 4]"
1 11 ARG 0.723 0.094 24 0 "[ . 1 . 2 . 3 . 4]"
1 12 ALA 0.064 0.019 15 0 "[ . 1 . 2 . 3 . 4]"
1 13 PHE 0.103 0.042 23 0 "[ . 1 . 2 . 3 . 4]"
1 14 LEU 0.396 0.078 36 0 "[ . 1 . 2 . 3 . 4]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 16 GLU 0.007 0.007 20 0 "[ . 1 . 2 . 3 . 4]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 18 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 19 ILE 0.860 0.161 35 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 0.013 0.013 6 0 "[ . 1 . 2 . 3 . 4]"
1 21 GLU 0.004 0.004 5 0 "[ . 1 . 2 . 3 . 4]"
1 22 PHE 0.097 0.019 20 0 "[ . 1 . 2 . 3 . 4]"
1 23 LYS 0.726 0.688 12 1 "[ . 1 + . 2 . 3 . 4]"
1 24 ALA 0.004 0.004 5 0 "[ . 1 . 2 . 3 . 4]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 26 PHE 0.085 0.057 29 0 "[ . 1 . 2 . 3 . 4]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 28 MET 0.165 0.026 27 0 "[ . 1 . 2 . 3 . 4]"
1 29 PHE 0.348 0.058 39 0 "[ . 1 . 2 . 3 . 4]"
1 30 ASP 0.026 0.015 29 0 "[ . 1 . 2 . 3 . 4]"
1 31 ALA 0.218 0.058 39 0 "[ . 1 . 2 . 3 . 4]"
1 32 ASP 0.007 0.004 20 0 "[ . 1 . 2 . 3 . 4]"
1 33 GLY 0.101 0.025 5 0 "[ . 1 . 2 . 3 . 4]"
1 34 GLY 0.037 0.017 21 0 "[ . 1 . 2 . 3 . 4]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 36 ASP 0.150 0.036 29 0 "[ . 1 . 2 . 3 . 4]"
1 37 ILE 0.934 0.147 22 0 "[ . 1 . 2 . 3 . 4]"
1 38 SER 0.259 0.063 37 0 "[ . 1 . 2 . 3 . 4]"
1 39 THR 0.053 0.032 37 0 "[ . 1 . 2 . 3 . 4]"
1 40 LYS 0.116 0.026 37 0 "[ . 1 . 2 . 3 . 4]"
1 41 GLU 0.021 0.021 17 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.077 0.023 13 0 "[ . 1 . 2 . 3 . 4]"
1 43 GLY 0.238 0.070 35 0 "[ . 1 . 2 . 3 . 4]"
1 44 THR 0.059 0.020 29 0 "[ . 1 . 2 . 3 . 4]"
1 45 VAL 0.302 0.080 12 0 "[ . 1 . 2 . 3 . 4]"
1 46 MET 0.155 0.077 1 0 "[ . 1 . 2 . 3 . 4]"
1 47 ARG 0.055 0.020 29 0 "[ . 1 . 2 . 3 . 4]"
1 48 MET 0.085 0.028 22 0 "[ . 1 . 2 . 3 . 4]"
1 49 LEU 0.000 0.000 25 0 "[ . 1 . 2 . 3 . 4]"
1 50 GLY 0.079 0.028 22 0 "[ . 1 . 2 . 3 . 4]"
1 51 GLN 0.297 0.057 36 0 "[ . 1 . 2 . 3 . 4]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 54 THR 0.133 0.022 6 0 "[ . 1 . 2 . 3 . 4]"
1 55 LYS 0.129 0.022 6 0 "[ . 1 . 2 . 3 . 4]"
1 56 GLU 0.195 0.021 23 0 "[ . 1 . 2 . 3 . 4]"
1 57 GLU 0.003 0.003 19 0 "[ . 1 . 2 . 3 . 4]"
1 58 LEU 0.815 0.070 35 0 "[ . 1 . 2 . 3 . 4]"
1 59 ASP 0.326 0.029 20 0 "[ . 1 . 2 . 3 . 4]"
1 60 ALA 0.090 0.015 10 0 "[ . 1 . 2 . 3 . 4]"
1 61 ILE 0.181 0.025 16 0 "[ . 1 . 2 . 3 . 4]"
1 62 ILE 0.156 0.027 8 0 "[ . 1 . 2 . 3 . 4]"
1 63 GLU 0.090 0.015 10 0 "[ . 1 . 2 . 3 . 4]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 65 VAL 0.079 0.020 13 0 "[ . 1 . 2 . 3 . 4]"
1 66 ASP 0.209 0.027 8 0 "[ . 1 . 2 . 3 . 4]"
1 67 GLU 0.077 0.016 17 0 "[ . 1 . 2 . 3 . 4]"
1 68 ASP 0.091 0.022 8 0 "[ . 1 . 2 . 3 . 4]"
1 69 GLY 0.074 0.016 17 0 "[ . 1 . 2 . 3 . 4]"
1 70 SER 0.067 0.025 33 0 "[ . 1 . 2 . 3 . 4]"
1 71 GLY 0.010 0.010 4 0 "[ . 1 . 2 . 3 . 4]"
1 72 THR 0.175 0.025 33 0 "[ . 1 . 2 . 3 . 4]"
1 73 ILE 0.206 0.063 37 0 "[ . 1 . 2 . 3 . 4]"
1 74 ASP 0.369 0.036 29 0 "[ . 1 . 2 . 3 . 4]"
1 75 PHE 1.509 0.688 12 1 "[ . 1 + . 2 . 3 . 4]"
1 76 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 77 GLU 0.333 0.034 13 0 "[ . 1 . 2 . 3 . 4]"
1 78 PHE 0.220 0.024 19 0 "[ . 1 . 2 . 3 . 4]"
1 79 LEU 0.935 0.124 7 0 "[ . 1 . 2 . 3 . 4]"
1 80 VAL 1.313 0.115 30 0 "[ . 1 . 2 . 3 . 4]"
1 81 MET 0.017 0.017 5 0 "[ . 1 . 2 . 3 . 4]"
1 82 MET 0.010 0.005 10 0 "[ . 1 . 2 . 3 . 4]"
1 83 VAL 0.269 0.051 24 0 "[ . 1 . 2 . 3 . 4]"
1 84 ARG 0.277 0.034 38 0 "[ . 1 . 2 . 3 . 4]"
1 85 GLN 0.479 0.077 1 0 "[ . 1 . 2 . 3 . 4]"
1 86 MET 0.288 0.057 36 0 "[ . 1 . 2 . 3 . 4]"
1 87 LYS 0.244 0.030 13 0 "[ . 1 . 2 . 3 . 4]"
1 88 GLU 0.487 0.034 29 0 "[ . 1 . 2 . 3 . 4]"
1 89 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
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 1 ALA MB 1 3 MET QB 3.350 . 5.000 2.551 2.249 2.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 ALA MB 1 3 MET QG 3.350 . 5.000 3.662 3.468 3.734 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 2 SER H 1 2 SER HA 2.710 . 3.720 2.938 2.911 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 SER H 1 2 SER QB 3.170 . 4.640 2.181 1.964 2.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 SER H 1 3 MET QB 3.150 . 4.600 4.096 4.018 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 SER H 1 4 THR H 3.220 . 4.740 4.617 4.314 4.750 0.010 29 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 SER HA 1 3 MET H 2.850 . 4.000 3.403 3.229 3.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 SER QB 1 3 MET H 2.850 . 4.000 3.188 2.901 3.566 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 3 MET H 1 3 MET HA 2.740 . 3.780 2.850 2.805 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 3 MET H 1 3 MET QB 2.600 . 3.500 2.010 1.922 2.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 3 MET H 1 4 THR H 3.140 . 4.580 2.749 2.431 2.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 3 MET HA 1 3 MET QG 3.350 . 5.000 2.112 1.918 2.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 3 MET HA 1 4 THR H 2.630 . 3.570 3.557 3.465 3.589 0.019 15 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 3 MET HA 1 5 ASP H 3.200 . 4.700 3.722 3.375 4.215 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 3 MET HA 1 6 GLN QB 3.600 . 5.500 2.808 2.237 3.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 3 MET QB 1 4 THR H 2.730 . 3.750 2.621 2.302 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 3 MET QB 1 4 THR HB 3.350 . 5.000 4.298 3.927 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 3 MET QB 1 5 ASP H 3.300 . 4.900 4.352 4.252 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 3 MET QB 1 77 GLU QG 3.350 . 5.000 3.637 2.887 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 3 MET QG 1 6 GLN QB 3.350 . 5.000 3.828 3.354 3.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
21 1 3 MET QG 1 64 GLU QG 3.350 . 5.000 3.392 2.037 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 4 THR H 1 4 THR HA 2.690 . 3.690 2.811 2.770 2.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 4 THR H 1 4 THR HB 2.750 . 3.790 2.311 2.220 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 4 THR H 1 4 THR MG 3.100 . 4.500 2.546 1.914 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 4 THR H 1 5 ASP QB 3.380 . 5.050 4.421 4.234 4.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 4 THR H 1 6 GLN H 3.400 . 5.090 4.575 4.110 4.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 4 THR HA 1 7 GLN QB 3.350 . 5.000 2.831 2.117 3.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 4 THR HA 1 7 GLN QG 3.350 . 5.000 4.199 3.164 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
29 1 4 THR HB 1 5 ASP H 2.980 . 4.250 3.764 2.658 4.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 5 ASP H 1 5 ASP HA 2.710 . 3.720 2.938 2.882 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 5 ASP H 1 5 ASP QB 2.640 . 3.580 2.111 1.960 2.238 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 5 ASP H 1 6 GLN QB 3.250 . 4.800 4.100 3.853 4.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 5 ASP HA 1 7 GLN H 2.760 . 3.820 3.780 3.654 3.838 0.018 28 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 5 ASP HA 1 8 ALA H 3.090 . 4.480 3.922 3.304 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 6 GLN HA 1 6 GLN QG 3.350 . 5.000 2.260 1.909 3.284 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 6 GLN HA 1 9 GLU H 3.150 . 4.600 3.711 3.061 4.425 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 6 GLN HA 1 9 GLU QB 3.350 . 5.000 3.177 2.355 4.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 6 GLN HA 1 10 ALA MB 3.350 . 5.000 4.139 3.914 4.188 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 6 GLN QB 1 80 VAL HB 3.350 . 5.000 3.710 2.614 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 6 GLN QB 1 80 VAL QG 3.350 . 5.000 2.281 1.731 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 6 GLN QG 1 80 VAL QG 3.350 . 5.000 2.839 2.016 3.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 7 GLN H 1 7 GLN HA 2.770 . 3.850 2.891 2.769 2.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 7 GLN H 1 7 GLN QB 2.490 . 3.280 2.110 1.939 2.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 7 GLN HA 1 7 GLN QG 3.350 . 5.000 2.234 1.972 2.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 7 GLN HA 1 10 ALA H 3.850 . 6.000 3.547 3.165 4.211 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 7 GLN HA 1 80 VAL H 3.350 . 5.000 4.104 3.619 4.563 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 7 GLN HA 1 80 VAL QG 3.350 . 5.000 2.516 1.832 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 7 GLN QB 1 8 ALA H 2.930 . 4.160 2.488 1.845 3.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 7 GLN QG 1 77 GLU H 2.820 . 3.940 3.478 3.294 3.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 8 ALA H 1 8 ALA HA 2.710 . 3.720 2.856 2.781 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 8 ALA H 1 8 ALA MB 2.820 . 3.940 2.024 1.910 2.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 8 ALA H 1 9 GLU H 2.790 . 3.880 2.823 2.342 3.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 8 ALA H 1 11 ARG H 3.500 . 5.300 5.142 4.707 5.337 0.037 7 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 8 ALA HA 1 11 ARG H 3.100 . 4.500 4.018 3.620 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 8 ALA HA 1 12 ALA H 3.350 . 5.000 4.586 3.545 5.019 0.019 15 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 8 ALA MB 1 9 GLU H 3.200 . 4.700 2.345 1.930 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 9 GLU H 1 9 GLU HA 2.700 . 3.700 2.902 2.776 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 9 GLU H 1 9 GLU QB 2.580 . 3.460 2.110 1.925 2.487 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 9 GLU H 1 9 GLU QG 3.190 . 4.670 3.408 2.134 3.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 9 GLU HA 1 9 GLU QG 3.350 . 5.000 2.271 1.932 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 9 GLU HA 1 12 ALA H 3.400 . 5.100 3.434 3.034 4.112 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 9 GLU HA 1 12 ALA MB 3.850 . 6.000 2.469 1.835 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 10 ALA H 1 11 ARG H 2.780 . 3.860 2.599 2.431 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 10 ALA HA 1 13 PHE H 3.070 . 4.440 4.150 3.682 4.460 0.020 37 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 10 ALA HA 1 13 PHE QB 3.350 . 5.000 3.443 2.662 4.216 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 10 ALA HA 1 13 PHE QD 3.750 . 5.800 4.970 3.230 5.615 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 10 ALA HA 1 83 VAL HB 3.350 . 5.000 3.812 2.612 4.665 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 10 ALA HA 1 83 VAL QG 3.350 . 5.000 2.307 1.811 3.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 10 ALA HA 1 84 ARG QG 3.350 . 5.000 4.374 4.073 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
70 1 10 ALA MB 1 11 ARG H 3.030 . 4.360 2.655 1.860 3.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
71 1 10 ALA MB 1 11 ARG QD 3.350 . 5.000 3.407 2.917 3.741 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 10 ALA MB 1 11 ARG QG 3.450 . 5.200 2.936 2.476 3.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 10 ALA MB 1 77 GLU HA 3.600 . 5.500 4.567 4.246 4.608 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 10 ALA MB 1 80 VAL H 3.850 . 6.000 2.698 2.157 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 10 ALA MB 1 80 VAL HA 3.350 . 5.000 1.918 1.767 2.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 10 ALA MB 1 80 VAL QG 3.350 . 5.000 1.791 1.585 2.692 0.115 30 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 10 ALA MB 1 83 VAL QG 3.350 . 5.000 2.760 2.037 3.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 10 ALA MB 1 84 ARG QG 3.350 . 5.000 3.707 3.606 3.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 11 ARG H 1 11 ARG HA 2.700 . 3.700 2.954 2.832 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 11 ARG H 1 11 ARG QB 2.550 . 3.400 2.669 2.247 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 11 ARG H 1 11 ARG QD 3.540 . 5.380 2.186 1.815 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 11 ARG H 1 12 ALA H 2.700 . 3.700 2.380 2.092 2.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 11 ARG H 1 13 PHE H 3.250 . 4.800 3.884 3.445 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 11 ARG HA 1 14 LEU H 3.500 . 5.300 3.948 3.321 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 11 ARG HA 1 14 LEU HG 3.600 . 5.500 4.558 3.289 5.520 0.020 40 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 11 ARG HA 1 19 ILE MD 3.350 . 5.000 3.951 3.408 4.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 11 ARG HA 1 19 ILE QG 3.350 . 5.000 3.877 3.397 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 11 ARG HA 1 79 LEU HA 3.450 . 5.200 5.001 4.479 5.230 0.030 40 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 11 ARG HA 1 79 LEU QD 3.350 . 5.000 2.244 1.718 3.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 11 ARG QB 1 12 ALA H 3.000 . 4.300 2.836 1.996 3.859 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 11 ARG QD 1 12 ALA MB 3.550 . 5.400 3.694 2.282 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 11 ARG QG 1 79 LEU QD 3.650 . 5.600 2.271 1.606 3.674 0.094 24 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 12 ALA H 1 12 ALA HA 2.690 . 3.680 2.865 2.794 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 12 ALA H 1 12 ALA MB 2.770 . 3.830 2.004 1.900 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 12 ALA H 1 13 PHE H 2.620 . 3.540 2.658 2.241 2.926 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 12 ALA H 1 13 PHE QB 3.670 . 5.640 4.284 3.837 4.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 12 ALA H 1 14 LEU H 3.330 . 4.960 4.473 3.767 4.885 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 12 ALA HA 1 19 ILE MD 3.350 . 5.000 4.111 3.823 4.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 12 ALA MB 1 13 PHE H 3.270 . 4.840 2.920 2.461 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 13 PHE H 1 13 PHE HA 2.690 . 3.690 2.840 2.778 2.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 13 PHE H 1 13 PHE QB 2.650 . 3.590 2.123 1.988 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 13 PHE H 1 13 PHE QD 3.160 . 4.620 3.908 1.855 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 13 PHE H 1 14 LEU H 2.650 . 3.600 2.725 2.380 2.904 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 13 PHE HA 1 13 PHE QD 3.350 . 5.000 2.640 2.051 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 13 PHE QB 1 14 LEU H 2.990 . 4.280 2.819 2.278 3.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 13 PHE QB 1 14 LEU QB 3.850 . 6.000 4.242 3.905 4.727 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 13 PHE QB 1 83 VAL QG 3.350 . 5.000 2.076 1.658 2.704 0.042 23 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 13 PHE QD 1 14 LEU H 3.060 . 4.410 3.484 2.080 3.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 13 PHE QD 1 14 LEU QD 4.050 . 6.400 2.256 1.747 3.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 13 PHE QD 1 83 VAL HB 3.350 . 5.000 3.248 1.889 4.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 13 PHE QD 1 83 VAL QG 3.350 . 5.000 2.012 1.680 2.482 0.020 9 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 13 PHE QE 1 14 LEU H 3.750 . 5.800 5.264 3.428 5.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 13 PHE QE 1 14 LEU QD 3.350 . 5.000 2.723 1.855 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 13 PHE QE 1 22 PHE HE2 3.400 . 5.100 4.924 3.234 5.108 0.008 20 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 13 PHE QE 1 83 VAL QG 3.350 . 5.000 2.951 2.147 3.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 13 PHE QE 1 86 MET QB 3.350 . 5.000 3.169 2.243 4.061 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 13 PHE QE 1 87 LYS HA 3.600 . 5.500 4.265 3.142 5.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 13 PHE QE 1 87 LYS QG 3.500 . 5.300 3.845 2.626 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 13 PHE QE 1 90 ALA MB 3.350 . 5.000 3.757 3.169 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 14 LEU H 1 14 LEU HA 2.730 . 3.770 2.993 2.960 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 14 LEU H 1 14 LEU QB 2.620 . 3.540 2.654 2.166 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
122 1 14 LEU H 1 14 LEU QD 3.520 . 5.340 2.597 1.622 3.595 0.078 36 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 14 LEU H 1 14 LEU HG 3.580 . 5.460 2.474 1.837 3.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 14 LEU H 1 15 SER H 3.270 . 4.840 4.493 4.315 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 14 LEU HA 1 14 LEU QD 3.350 . 5.000 2.645 1.818 3.396 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 14 LEU HA 1 15 SER H 2.370 . 3.040 2.393 2.209 2.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
127 1 14 LEU QB 1 15 SER H 3.120 . 4.540 2.780 2.007 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 14 LEU QD 1 15 SER H 3.850 . 6.000 3.500 2.736 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 14 LEU QD 1 22 PHE HE2 3.350 . 5.000 2.277 1.703 3.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 14 LEU QD 1 83 VAL QG 4.200 . 6.700 2.517 1.649 3.690 0.051 24 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 14 LEU HG 1 83 VAL QG 3.600 . 5.500 3.512 2.004 4.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 15 SER H 1 15 SER HA 2.700 . 3.700 2.905 2.817 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 15 SER H 1 15 SER QB 2.650 . 3.610 2.314 1.926 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 15 SER H 1 16 GLU H 3.660 . 5.620 4.645 4.567 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 15 SER H 1 18 MET QB 3.050 . 4.400 3.217 2.297 3.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 15 SER HA 1 16 GLU H 2.380 . 3.070 2.447 2.274 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 15 SER QB 1 16 GLU H 2.830 . 3.960 2.675 2.217 3.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 15 SER QB 1 16 GLU QB 3.450 . 5.200 3.910 3.533 4.144 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 15 SER QB 1 17 GLU H 2.940 . 4.170 2.546 2.105 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 15 SER QB 1 18 MET H 3.480 . 5.250 3.364 2.771 4.477 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 16 GLU H 1 16 GLU HA 2.690 . 3.690 2.822 2.756 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 16 GLU H 1 16 GLU QB 2.520 . 3.330 2.155 2.084 2.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 16 GLU H 1 16 GLU QG 3.050 . 4.400 3.830 2.232 3.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 16 GLU H 1 17 GLU H 2.770 . 3.840 2.779 2.591 3.114 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 16 GLU HA 1 16 GLU QG 3.350 . 5.000 2.466 2.171 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 16 GLU HA 1 17 GLU H 3.170 . 4.640 3.519 3.401 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 16 GLU HA 1 19 ILE H 2.770 . 3.850 3.498 3.083 3.857 0.007 20 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 16 GLU HA 1 19 ILE HB 3.350 . 5.000 2.470 1.904 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 16 GLU HA 1 19 ILE MG 3.350 . 5.000 3.637 2.983 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 16 GLU QG 1 17 GLU H 3.100 . 4.500 3.634 1.869 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 16 GLU QG 1 20 ALA H 3.470 . 5.240 4.180 3.220 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 17 GLU H 1 17 GLU HA 2.690 . 3.680 2.833 2.767 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 17 GLU H 1 17 GLU QB 2.670 . 3.640 2.207 1.995 2.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 17 GLU H 1 17 GLU QG 3.270 . 4.840 3.320 1.868 4.024 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 17 GLU H 1 18 MET H 2.850 . 4.000 2.860 2.512 3.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 17 GLU H 1 19 ILE H 3.710 . 5.720 4.322 3.885 4.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 17 GLU H 1 20 ALA H 3.850 . 6.000 5.059 4.660 5.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 17 GLU HA 1 20 ALA H 3.150 . 4.590 3.987 3.562 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 17 GLU HA 1 20 ALA MB 3.350 . 5.000 3.275 2.787 4.142 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 17 GLU QG 1 18 MET H 3.100 . 4.500 3.649 1.865 4.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 18 MET H 1 18 MET HA 2.690 . 3.680 2.881 2.769 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 18 MET H 1 18 MET QB 2.830 . 3.950 2.135 1.963 2.205 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 18 MET H 1 19 ILE H 2.770 . 3.840 2.710 2.446 3.099 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 18 MET HA 1 18 MET ME 3.350 . 5.000 2.742 1.783 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 18 MET HA 1 18 MET QG 3.350 . 5.000 2.425 1.989 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 18 MET HA 1 21 GLU H 3.060 . 4.420 3.139 2.799 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 18 MET HA 1 21 GLU QB 3.350 . 5.000 2.423 2.097 2.776 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 18 MET HA 1 21 GLU QG 3.350 . 5.000 4.086 3.375 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 18 MET QB 1 18 MET ME 3.350 . 5.000 2.581 1.823 3.645 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 18 MET QB 1 21 GLU QB 3.400 . 5.100 4.037 3.652 4.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 18 MET ME 1 21 GLU QB 3.450 . 5.200 3.192 2.060 3.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 18 MET ME 1 22 PHE HE1 3.350 . 5.000 3.233 2.068 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 18 MET QG 1 22 PHE QB 3.700 . 5.700 4.452 4.185 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 18 MET QG 1 22 PHE HE1 3.600 . 5.500 3.443 2.626 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 19 ILE H 1 19 ILE HA 2.700 . 3.700 2.772 2.760 2.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 19 ILE H 1 19 ILE HB 2.390 . 3.080 2.358 2.193 2.508 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 19 ILE H 1 20 ALA H 2.830 . 3.950 2.936 2.845 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 19 ILE HA 1 19 ILE MD 3.350 . 5.000 3.715 3.479 3.820 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 19 ILE HA 1 19 ILE QG 3.350 . 5.000 2.261 2.046 2.373 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 19 ILE HA 1 19 ILE MG 3.350 . 5.000 2.492 2.384 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 19 ILE HA 1 20 ALA H 3.260 . 4.820 3.562 3.510 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 19 ILE HA 1 21 GLU H 3.720 . 5.740 4.140 3.733 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 19 ILE HA 1 22 PHE H 2.790 . 3.890 3.675 3.208 3.901 0.011 3 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 19 ILE HA 1 22 PHE QB 3.600 . 5.500 3.262 2.348 3.683 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 19 ILE HA 1 22 PHE HD2 3.600 . 5.500 3.765 2.780 4.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 19 ILE HB 1 19 ILE MD 3.350 . 5.000 2.284 2.053 2.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 19 ILE HB 1 20 ALA H 2.710 . 3.730 2.609 2.226 2.912 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 19 ILE MD 1 19 ILE MG 3.350 . 5.000 2.079 1.539 2.807 0.161 35 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 19 ILE QG 1 20 ALA H 3.640 . 5.580 4.172 3.895 4.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 19 ILE QG 1 79 LEU QD 3.350 . 5.000 2.822 2.132 3.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 19 ILE MG 1 20 ALA HA 3.350 . 5.000 3.370 2.918 3.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 19 ILE MG 1 23 LYS H 3.540 . 5.370 4.271 3.429 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 19 ILE MG 1 23 LYS QD 3.350 . 5.000 3.646 3.287 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 19 ILE MG 1 75 PHE HE1 3.600 . 5.500 3.559 2.598 5.658 0.158 40 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 19 ILE MG 1 75 PHE HZ 3.350 . 5.000 3.498 2.375 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 20 ALA H 1 20 ALA HA 2.690 . 3.680 2.890 2.829 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 20 ALA H 1 20 ALA MB 2.770 . 3.850 2.034 1.913 2.159 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 20 ALA H 1 21 GLU H 2.650 . 3.600 2.560 2.411 2.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 20 ALA H 1 22 PHE H 3.410 . 5.120 4.416 4.124 4.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 20 ALA HA 1 23 LYS H 2.830 . 3.960 3.494 3.051 3.973 0.013 6 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 20 ALA HA 1 23 LYS QB 3.350 . 5.000 2.529 1.988 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 20 ALA HA 1 23 LYS QD 3.350 . 5.000 4.037 2.252 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 20 ALA MB 1 21 GLU H 3.080 . 4.460 2.794 2.484 3.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 21 GLU H 1 21 GLU HA 2.690 . 3.690 2.892 2.829 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 21 GLU H 1 21 GLU QB 2.440 . 3.170 2.143 2.104 2.202 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 21 GLU H 1 21 GLU QG 3.080 . 4.460 3.889 3.831 3.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 21 GLU H 1 22 PHE H 2.630 . 3.560 2.648 2.375 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 21 GLU H 1 22 PHE QD 3.510 . 5.320 4.645 4.352 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 21 GLU HA 1 21 GLU QG 3.350 . 5.000 2.649 2.265 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 21 GLU HA 1 22 PHE H 2.920 . 4.140 3.576 3.535 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 21 GLU HA 1 24 ALA H 3.150 . 4.590 4.295 3.765 4.594 0.004 5 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 21 GLU QB 1 22 PHE H 2.540 . 3.390 2.435 2.087 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 21 GLU QG 1 49 LEU QD 3.350 . 5.000 3.259 3.055 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 22 PHE H 1 22 PHE HA 2.710 . 3.710 2.891 2.806 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 22 PHE H 1 22 PHE QB 2.610 . 3.520 2.343 2.141 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 22 PHE H 1 22 PHE QD 2.620 . 3.540 2.638 2.249 3.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 22 PHE H 1 22 PHE QE 3.620 . 5.540 4.248 3.925 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 22 PHE HA 1 22 PHE HD1 3.350 . 5.000 1.954 1.866 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 22 PHE HA 1 23 LYS H 3.270 . 4.840 3.516 3.430 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 22 PHE HA 1 25 ALA H 3.600 . 5.500 3.470 3.108 3.822 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 22 PHE HA 1 49 LEU QD 3.350 . 5.000 2.081 1.716 2.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 22 PHE QB 1 23 LYS H 3.000 . 4.300 2.732 2.273 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 22 PHE QB 1 45 VAL QG 4.150 . 6.600 4.253 3.842 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 22 PHE QB 1 75 PHE HE2 3.350 . 5.000 4.082 3.090 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 22 PHE QB 1 78 PHE QE 3.350 . 5.000 3.417 2.364 4.231 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 22 PHE HD1 1 49 LEU QD 3.550 . 5.400 2.214 1.700 2.766 0.000 25 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 22 PHE HD2 1 75 PHE HZ 3.350 . 5.000 4.782 3.951 5.019 0.019 20 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 22 PHE HD2 1 78 PHE QE 3.350 . 5.000 4.822 4.355 4.991 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 22 PHE HD2 1 79 LEU HA 3.350 . 5.000 4.567 3.542 5.005 0.005 19 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 23 LYS H 1 23 LYS HA 2.710 . 3.710 2.822 2.756 2.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 23 LYS H 1 23 LYS QB 2.580 . 3.460 2.138 1.994 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 23 LYS H 1 23 LYS QD 3.050 . 4.400 3.726 3.279 3.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 23 LYS H 1 23 LYS QG 3.200 . 4.700 3.436 1.996 4.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 23 LYS H 1 24 ALA H 2.790 . 3.870 3.084 2.533 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 23 LYS H 1 75 PHE QE 3.230 . 4.750 3.989 3.109 4.239 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 23 LYS H 1 75 PHE HZ 2.830 . 3.950 3.161 2.501 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 23 LYS HA 1 23 LYS QD 3.350 . 5.000 2.275 1.832 3.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 23 LYS HA 1 24 ALA H 3.460 . 5.210 3.577 3.539 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 23 LYS HA 1 24 ALA HA 3.350 . 5.000 4.837 4.777 4.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 23 LYS HA 1 25 ALA H 3.830 . 5.950 4.226 3.881 4.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 23 LYS HA 1 26 PHE H 2.720 . 3.740 3.537 3.008 3.757 0.017 27 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 23 LYS HA 1 75 PHE HE2 3.350 . 5.000 2.636 1.862 4.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 23 LYS QB 1 24 ALA H 2.970 . 4.240 2.042 1.852 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 23 LYS QB 1 25 ALA H 3.720 . 5.740 4.215 3.946 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 23 LYS QB 1 75 PHE HE2 3.350 . 5.000 4.042 3.261 5.688 0.688 12 1 "[ . 1 + . 2 . 3 . 4]" 1
246 1 23 LYS QD 1 24 ALA H 3.400 . 5.100 4.303 2.598 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 23 LYS QD 1 27 ASP H 3.640 . 5.580 4.883 4.599 4.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 24 ALA H 1 24 ALA HA 2.690 . 3.680 2.818 2.750 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 24 ALA H 1 24 ALA MB 2.910 . 4.120 2.033 1.912 2.173 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 24 ALA H 1 25 ALA H 2.740 . 3.780 2.787 2.589 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 24 ALA H 1 26 PHE H 3.850 . 6.000 4.384 3.831 4.902 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 24 ALA H 1 27 ASP H 3.850 . 6.000 4.912 4.537 5.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 24 ALA HA 1 25 ALA H 3.020 . 4.340 3.522 3.422 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 24 ALA HA 1 27 ASP H 3.100 . 4.500 3.842 3.473 4.355 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 24 ALA HA 1 27 ASP QB 3.850 . 6.000 3.065 2.253 4.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 24 ALA MB 1 25 ALA H 3.090 . 4.480 2.704 2.188 3.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 24 ALA MB 1 25 ALA HA 3.350 . 5.000 3.878 3.718 4.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 25 ALA H 1 25 ALA MB 2.830 . 3.960 2.090 1.923 2.224 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 25 ALA H 1 26 PHE H 2.640 . 3.580 2.517 2.241 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 25 ALA H 1 26 PHE QB 3.790 . 5.880 4.156 3.916 4.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 25 ALA H 1 27 ASP H 3.400 . 5.090 3.986 3.587 4.628 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 25 ALA H 1 28 MET QG 3.500 . 5.300 4.301 3.938 4.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 25 ALA HA 1 26 PHE H 3.170 . 4.640 3.563 3.477 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 25 ALA HA 1 28 MET H 2.890 . 4.080 3.771 3.593 3.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 25 ALA HA 1 28 MET QG 3.350 . 5.000 2.043 1.720 2.618 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 25 ALA HA 1 49 LEU QD 3.600 . 5.500 4.038 3.847 4.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 25 ALA MB 1 26 PHE H 3.120 . 4.540 2.484 2.044 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 26 PHE H 1 26 PHE HA 2.710 . 3.720 2.873 2.809 2.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 26 PHE H 1 26 PHE QB 2.600 . 3.500 2.144 2.078 2.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 26 PHE H 1 27 ASP H 2.780 . 3.860 2.660 2.584 2.864 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 26 PHE H 1 28 MET H 3.580 . 5.460 3.988 3.822 4.135 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 26 PHE H 1 45 VAL QG 4.100 . 6.500 3.776 3.261 4.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 26 PHE H 1 75 PHE QE 3.090 . 4.480 3.807 3.470 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 26 PHE HA 1 27 ASP H 3.080 . 4.460 3.557 3.514 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 26 PHE HA 1 28 MET H 3.560 . 5.420 3.595 3.482 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 26 PHE HA 1 29 PHE H 3.200 . 4.700 4.359 4.025 4.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 26 PHE HA 1 45 VAL QG 3.600 . 5.500 1.925 1.643 2.287 0.057 29 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 26 PHE HA 1 49 LEU QD 3.450 . 5.200 3.827 3.618 3.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 26 PHE QB 1 27 ASP H 2.950 . 4.200 2.579 2.307 2.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 26 PHE QE 1 36 ASP H 3.450 . 5.200 3.504 2.720 4.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 26 PHE QE 1 37 ILE H 3.350 . 5.000 3.343 2.847 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 26 PHE QE 1 75 PHE H 3.200 . 4.700 4.122 3.766 4.201 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 26 PHE HZ 1 29 PHE QD 4.100 . 6.500 6.397 6.043 6.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 26 PHE HZ 1 36 ASP H 3.250 . 4.790 4.266 2.955 4.793 0.003 24 0 "[ . 1 . 2 . 3 . 4]" 1
285 1 26 PHE HZ 1 36 ASP HA 3.650 . 5.600 1.959 1.853 2.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 26 PHE HZ 1 37 ILE H 3.150 . 4.600 2.485 1.870 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 26 PHE HZ 1 74 ASP HA 3.400 . 5.100 4.342 3.574 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 26 PHE HZ 1 75 PHE H 3.200 . 4.700 3.818 3.184 4.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 27 ASP H 1 27 ASP HA 2.710 . 3.720 2.875 2.816 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 27 ASP H 1 27 ASP QB 2.760 . 3.820 2.102 1.927 2.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 27 ASP H 1 28 MET H 2.810 . 3.920 2.675 2.641 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 27 ASP HA 1 30 ASP H 2.870 . 4.040 3.211 2.668 3.827 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 27 ASP HA 1 30 ASP QB 3.350 . 5.000 2.274 1.845 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 27 ASP QB 1 28 MET H 3.210 . 4.720 3.287 3.014 3.804 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 27 ASP QB 1 30 ASP QB 3.600 . 5.500 3.577 2.674 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 28 MET H 1 28 MET HA 2.690 . 3.690 2.839 2.804 2.889 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
297 1 28 MET H 1 28 MET QB 2.730 . 3.750 2.261 2.175 2.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 28 MET H 1 29 PHE H 2.790 . 3.880 2.717 2.569 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 28 MET H 1 29 PHE QD 2.960 . 4.210 3.633 3.458 3.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 28 MET H 1 29 PHE QE 3.620 . 5.540 3.977 3.642 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 28 MET H 1 30 ASP H 3.850 . 6.000 4.263 3.835 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 28 MET HA 1 28 MET QG 3.350 . 5.000 2.425 2.086 2.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 28 MET HA 1 29 PHE H 2.600 . 3.500 3.489 3.426 3.526 0.026 27 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 28 MET HA 1 30 ASP H 3.100 . 4.500 4.189 4.006 4.515 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 28 MET QB 1 29 PHE H 2.650 . 3.600 2.885 2.744 3.071 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 28 MET QB 1 29 PHE QD 3.350 . 5.000 2.933 2.653 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 28 MET QB 1 44 THR MG 3.700 . 5.700 4.234 4.168 4.255 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 28 MET QG 1 29 PHE H 3.250 . 4.800 4.235 4.002 4.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
309 1 28 MET QG 1 29 PHE QE 3.350 . 5.000 3.725 3.451 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 29 PHE H 1 29 PHE HA 2.730 . 3.750 3.004 2.999 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 29 PHE H 1 29 PHE QB 2.950 . 4.200 2.740 2.625 2.913 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 29 PHE H 1 29 PHE QD 2.430 . 3.160 2.310 2.128 2.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 29 PHE H 1 29 PHE QE 3.100 . 4.500 4.025 4.007 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 29 PHE H 1 30 ASP H 2.300 . 2.900 2.421 1.901 2.899 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 29 PHE H 1 30 ASP QB 3.250 . 4.800 3.822 3.394 4.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
316 1 29 PHE H 1 31 ALA H 3.600 . 5.500 5.181 3.944 5.558 0.058 39 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 29 PHE H 1 37 ILE MD 3.230 . 4.750 3.858 3.181 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 29 PHE H 1 37 ILE MG 3.380 . 5.050 3.124 2.371 4.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 29 PHE QB 1 30 ASP H 3.050 . 4.400 3.681 3.119 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 29 PHE QB 1 41 GLU QG 3.350 . 5.000 1.983 1.679 3.647 0.021 17 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 29 PHE QD 1 44 THR MG 3.450 . 5.200 3.156 2.429 3.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 29 PHE QD 1 45 VAL HB 3.350 . 5.000 3.927 2.705 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 29 PHE QD 1 45 VAL QG 3.350 . 5.000 2.586 1.775 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 29 PHE QE 1 44 THR HB 3.350 . 5.000 4.167 3.673 4.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 29 PHE QE 1 44 THR MG 3.350 . 5.000 2.122 1.726 2.529 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 29 PHE QE 1 45 VAL QG 3.350 . 5.000 2.408 1.841 3.263 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 30 ASP H 1 30 ASP QB 2.950 . 4.200 2.249 1.914 2.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 30 ASP H 1 31 ALA H 2.980 . 4.250 3.517 2.400 4.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 30 ASP H 1 37 ILE MG 3.600 . 5.500 3.416 2.790 4.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 30 ASP HA 1 31 ALA H 3.440 . 5.170 2.671 2.351 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 30 ASP HA 1 32 ASP H 2.770 . 3.850 3.447 3.158 3.854 0.004 20 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 30 ASP HA 1 37 ILE MG 3.350 . 5.000 2.574 1.929 4.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 30 ASP QB 1 31 ALA H 3.340 . 4.980 3.909 3.550 4.082 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 30 ASP QB 1 32 ASP H 3.450 . 5.200 4.305 3.468 4.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 30 ASP QB 1 33 GLY H 3.250 . 4.800 3.261 1.861 4.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 30 ASP QB 1 36 ASP H 3.590 . 5.480 4.308 3.129 4.886 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 30 ASP QB 1 37 ILE HA 3.750 . 5.800 4.986 3.853 5.189 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 31 ALA H 1 31 ALA HA 2.690 . 3.690 2.841 2.756 2.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 31 ALA H 1 32 ASP H 2.780 . 3.860 2.728 2.400 3.046 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 31 ALA H 1 32 ASP HA 3.760 . 5.820 5.388 5.144 5.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 31 ALA H 1 32 ASP QB 3.800 . 5.900 4.594 4.026 5.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 31 ALA H 1 33 GLY H 3.400 . 5.100 3.948 3.591 4.328 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 31 ALA H 1 33 GLY QA 3.950 . 6.200 5.358 5.067 5.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 31 ALA H 1 34 GLY H 3.750 . 5.800 5.297 4.376 5.817 0.017 21 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 31 ALA H 1 37 ILE MG 4.000 . 6.300 3.772 2.442 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 31 ALA HA 1 32 ASP H 3.440 . 5.180 3.531 3.461 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 31 ALA MB 1 32 ASP H 2.600 . 3.500 2.684 2.255 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 31 ALA MB 1 32 ASP HA 3.430 . 5.160 4.040 3.857 4.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 31 ALA MB 1 33 GLY H 3.850 . 6.000 4.356 4.051 4.742 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 32 ASP H 1 32 ASP QB 2.400 . 3.100 2.340 2.057 2.780 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 32 ASP H 1 33 GLY H 2.440 . 3.180 2.111 1.888 2.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 32 ASP H 1 33 GLY QA 3.500 . 5.300 4.013 3.778 4.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 32 ASP H 1 34 GLY H 3.210 . 4.710 3.847 3.307 4.334 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 32 ASP HA 1 33 GLY H 3.060 . 4.410 3.398 3.070 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 32 ASP HA 1 34 GLY H 3.500 . 5.300 4.684 3.801 5.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 32 ASP QB 1 33 GLY H 3.350 . 5.000 3.063 2.353 3.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 32 ASP QB 1 34 GLY H 3.850 . 6.000 3.984 2.455 5.354 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 33 GLY H 1 34 GLY H 3.580 . 5.460 2.163 1.894 2.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 33 GLY H 1 34 GLY QA 3.250 . 4.800 4.120 3.743 4.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 33 GLY H 1 35 GLY H 3.850 . 6.000 4.466 3.295 5.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 33 GLY H 1 35 GLY QA 4.450 . 7.200 5.941 5.178 6.416 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 33 GLY H 1 36 ASP H 3.200 . 4.700 4.510 3.660 4.725 0.025 5 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 33 GLY QA 1 34 GLY H 3.400 . 5.100 2.808 2.670 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 34 GLY H 1 35 GLY QA 3.770 . 5.840 4.521 4.021 4.873 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 34 GLY H 1 36 ASP H 3.190 . 4.670 3.495 2.849 4.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 34 GLY QA 1 35 GLY H 3.710 . 5.720 2.690 2.184 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 34 GLY QA 1 36 ASP H 3.600 . 5.500 3.946 3.400 4.370 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 35 GLY H 1 36 ASP H 2.710 . 3.720 2.210 1.868 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 35 GLY QA 1 36 ASP H 2.850 . 4.000 2.849 2.614 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 35 GLY QA 1 75 PHE H 3.090 . 4.480 3.880 3.395 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 36 ASP H 1 36 ASP HA 2.700 . 3.700 2.943 2.887 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 36 ASP H 1 36 ASP QB 2.830 . 3.950 3.177 2.633 3.344 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 36 ASP H 1 37 ILE H 3.360 . 5.020 4.175 3.999 4.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 36 ASP HA 1 37 ILE H 2.350 . 3.000 2.273 2.203 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 36 ASP HA 1 73 ILE H 3.750 . 5.800 4.160 3.579 5.809 0.009 21 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 36 ASP HA 1 74 ASP HA 3.350 . 5.000 3.533 2.701 5.036 0.036 29 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 36 ASP QB 1 37 ILE H 2.760 . 3.820 3.178 1.858 3.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 36 ASP QB 1 39 THR MG 4.400 . 7.100 5.246 4.877 5.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 36 ASP QB 1 73 ILE H 2.540 . 3.370 2.821 2.131 3.017 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 36 ASP QB 1 74 ASP H 3.350 . 5.000 4.084 3.666 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 36 ASP QB 1 74 ASP HA 3.350 . 5.000 2.327 1.845 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 36 ASP QB 1 75 PHE H 2.960 . 4.210 3.568 3.321 3.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 37 ILE H 1 37 ILE HA 2.720 . 3.740 2.983 2.956 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 37 ILE H 1 37 ILE HB 3.030 . 4.360 3.471 2.417 3.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 37 ILE H 1 37 ILE MD 3.850 . 6.000 3.414 2.131 3.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 37 ILE H 1 37 ILE QG 2.650 . 3.610 1.967 1.825 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 37 ILE H 1 37 ILE MG 3.210 . 4.710 2.528 1.990 3.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 37 ILE H 1 38 SER H 3.310 . 4.920 4.568 4.463 4.637 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 37 ILE H 1 73 ILE H 2.850 . 4.000 3.453 2.719 4.048 0.048 13 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 37 ILE HA 1 37 ILE MD 3.350 . 5.000 4.082 3.779 4.141 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 37 ILE HA 1 37 ILE QG 3.350 . 5.000 3.179 2.441 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 37 ILE HA 1 37 ILE MG 3.350 . 5.000 2.381 2.105 2.485 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 37 ILE HA 1 38 SER H 2.310 . 2.930 2.487 2.348 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 37 ILE HA 1 41 GLU QB 3.550 . 5.400 4.569 4.323 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 37 ILE HA 1 41 GLU QG 3.750 . 5.800 5.132 4.745 5.183 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 37 ILE HA 1 73 ILE H 3.850 . 6.000 5.086 4.620 5.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 37 ILE HB 1 37 ILE MD 3.350 . 5.000 2.335 1.991 2.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 37 ILE HB 1 38 SER H 2.650 . 3.600 2.713 2.342 3.607 0.007 9 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 37 ILE HB 1 41 GLU QB 3.350 . 5.000 2.830 2.248 4.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 37 ILE MD 1 37 ILE MG 3.350 . 5.000 1.914 1.553 2.839 0.147 22 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 37 ILE MD 1 38 SER H 3.850 . 6.000 4.322 3.966 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 37 ILE MD 1 42 LEU H 3.850 . 6.000 3.831 3.202 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 37 ILE MD 1 42 LEU HA 3.850 . 6.000 2.713 1.906 4.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 37 ILE MD 1 45 VAL QG 3.350 . 5.000 1.892 1.620 2.479 0.080 12 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 37 ILE QG 1 38 SER H 3.300 . 4.900 3.420 2.997 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 37 ILE QG 1 41 GLU QG 3.350 . 5.000 3.650 3.105 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 37 ILE QG 1 45 VAL QG 3.450 . 5.200 3.392 3.140 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 37 ILE MG 1 38 SER H 3.430 . 5.160 3.606 1.784 4.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 38 SER H 1 38 SER HA 2.710 . 3.710 2.834 2.819 2.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 38 SER H 1 38 SER QB 2.460 . 3.210 2.220 1.924 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 38 SER H 1 40 LYS H 3.460 . 5.210 5.166 4.942 5.222 0.012 17 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 38 SER H 1 41 GLU H 3.480 . 5.260 4.368 3.986 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 38 SER HA 1 39 THR H 2.360 . 3.020 2.224 2.207 2.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 38 SER HA 1 39 THR MG 3.350 . 5.000 3.894 3.574 4.158 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 38 SER HA 1 40 LYS H 3.240 . 4.780 3.808 3.694 3.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 38 SER HA 1 72 THR H 3.560 . 5.410 5.313 4.699 5.432 0.022 29 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 38 SER HA 1 72 THR HB 3.350 . 5.000 3.747 2.341 4.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
418 1 38 SER HA 1 73 ILE H 3.550 . 5.400 4.562 3.991 5.463 0.063 37 0 "[ . 1 . 2 . 3 . 4]" 1
419 1 38 SER QB 1 39 THR H 2.980 . 4.260 3.497 3.181 3.815 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
420 1 38 SER QB 1 41 GLU H 2.810 . 3.930 2.926 2.464 3.502 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
421 1 39 THR H 1 39 THR HA 2.710 . 3.710 2.781 2.754 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 39 THR H 1 39 THR HB 3.150 . 4.590 3.529 3.496 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 39 THR H 1 39 THR MG 2.900 . 4.100 2.200 1.859 2.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 39 THR H 1 40 LYS H 2.770 . 3.830 2.852 2.745 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 39 THR H 1 40 LYS QB 3.490 . 5.280 4.521 4.383 4.722 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 39 THR H 1 72 THR H 3.520 . 5.340 4.869 4.222 5.354 0.014 13 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 39 THR H 1 73 ILE H 3.400 . 5.100 4.217 3.561 5.132 0.032 37 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 39 THR HA 1 39 THR MG 3.350 . 5.000 2.256 2.093 2.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 39 THR HA 1 40 LYS H 2.930 . 4.160 3.517 3.465 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 39 THR HA 1 42 LEU H 3.480 . 5.260 3.422 3.023 4.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 39 THR HA 1 42 LEU QB 3.350 . 5.000 2.757 2.121 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 39 THR HA 1 73 ILE MG 3.350 . 5.000 3.374 2.528 4.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 39 THR HB 1 40 LYS H 3.850 . 6.000 3.730 3.552 3.910 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 39 THR HB 1 62 ILE HA 3.350 . 5.000 3.437 2.405 4.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 39 THR HB 1 62 ILE MG 3.350 . 5.000 2.106 1.729 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 39 THR HB 1 66 ASP QB 3.350 . 5.000 3.990 2.771 4.459 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 39 THR MG 1 40 LYS H 3.850 . 6.000 4.040 3.839 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 39 THR MG 1 65 VAL QG 3.350 . 5.000 2.432 1.746 3.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 39 THR MG 1 66 ASP QB 3.350 . 5.000 3.171 2.213 3.699 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 39 THR MG 1 71 GLY H 4.350 . 7.000 4.435 3.321 5.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 39 THR MG 1 73 ILE HA 3.650 . 5.600 3.800 3.134 4.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 40 LYS H 1 40 LYS HA 2.690 . 3.690 2.894 2.833 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 40 LYS H 1 40 LYS QB 2.670 . 3.650 2.073 1.925 2.389 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 40 LYS H 1 40 LYS QG 3.100 . 4.500 3.268 2.032 3.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 40 LYS H 1 41 GLU H 2.690 . 3.680 2.575 2.351 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 40 LYS H 1 42 LEU H 3.690 . 5.670 4.090 3.775 4.317 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 40 LYS HA 1 40 LYS QD 3.350 . 5.000 3.470 2.262 4.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 40 LYS HA 1 41 GLU H 2.890 . 4.080 3.438 3.267 3.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 40 LYS HA 1 42 LEU H 3.380 . 5.050 3.910 3.463 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 40 LYS HA 1 43 GLY H 3.330 . 4.960 4.750 4.344 4.986 0.026 37 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 40 LYS HA 1 62 ILE MD 3.350 . 5.000 2.768 1.919 4.038 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 41 GLU H 1 41 GLU HA 2.710 . 3.720 2.977 2.923 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 41 GLU H 1 41 GLU QB 2.710 . 3.710 2.242 1.954 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 41 GLU H 1 41 GLU QG 3.140 . 4.580 3.935 2.755 4.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 41 GLU H 1 42 LEU H 2.520 . 3.350 2.296 1.900 2.670 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 41 GLU HA 1 41 GLU QG 3.350 . 5.000 2.543 2.183 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 41 GLU HA 1 42 LEU H 3.070 . 4.440 3.348 3.181 3.506 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 41 GLU HA 1 44 THR H 3.160 . 4.620 3.252 2.828 3.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 41 GLU HA 1 44 THR HB 3.350 . 5.000 3.110 2.115 3.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 41 GLU HA 1 45 VAL H 3.790 . 5.880 4.589 3.844 5.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 41 GLU QB 1 44 THR HB 3.350 . 5.000 4.060 2.850 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 41 GLU QG 1 44 THR MG 3.350 . 5.000 3.103 2.595 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 42 LEU H 1 42 LEU HA 2.690 . 3.690 2.830 2.747 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 42 LEU H 1 42 LEU QB 2.670 . 3.640 2.087 1.921 2.172 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 42 LEU H 1 42 LEU HG 3.110 . 4.520 4.249 3.809 4.383 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 42 LEU H 1 43 GLY H 3.110 . 4.520 2.796 2.533 3.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 42 LEU H 1 44 THR H 3.650 . 5.590 4.278 3.821 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 42 LEU HA 1 42 LEU QD 3.350 . 5.000 2.872 2.201 3.131 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 42 LEU HA 1 42 LEU HG 3.350 . 5.000 2.320 1.929 2.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 42 LEU HA 1 45 VAL H 2.770 . 3.850 3.750 3.257 3.873 0.023 13 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 42 LEU HA 1 45 VAL HB 3.350 . 5.000 3.423 2.714 3.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 42 LEU QB 1 43 GLY H 3.400 . 5.100 2.622 2.034 3.139 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 42 LEU QB 1 45 VAL HB 4.100 . 6.500 5.327 4.683 5.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 42 LEU QD 1 58 LEU HA 3.350 . 5.000 3.641 3.043 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 42 LEU QD 1 73 ILE HA 3.600 . 5.500 4.060 3.917 4.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 42 LEU QD 1 73 ILE QG 3.350 . 5.000 2.073 1.723 3.067 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 42 LEU QD 1 78 PHE QD 3.350 . 5.000 2.236 1.734 3.115 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 42 LEU QD 1 78 PHE QE 3.350 . 5.000 2.924 2.110 3.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 42 LEU QD 1 81 MET QB 3.350 . 5.000 2.827 1.867 3.270 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 42 LEU HG 1 46 MET QG 3.350 . 5.000 3.886 2.725 4.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 43 GLY H 1 44 THR H 2.980 . 4.250 2.648 2.385 3.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 43 GLY H 1 58 LEU QD 3.750 . 5.790 2.922 2.283 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 43 GLY H 1 58 LEU HG 3.950 . 6.200 5.611 3.599 6.220 0.020 14 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 43 GLY QA 1 44 THR H 3.220 . 4.740 2.759 2.566 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 43 GLY QA 1 46 MET H 3.230 . 4.750 3.806 3.406 4.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 43 GLY QA 1 53 PRO QB 3.350 . 5.000 3.692 2.617 3.974 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 43 GLY QA 1 53 PRO QG 3.350 . 5.000 2.634 2.234 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 43 GLY QA 1 58 LEU QD 3.350 . 5.000 1.842 1.630 2.225 0.070 35 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 43 GLY QA 1 58 LEU HG 3.350 . 5.000 3.990 2.515 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 44 THR H 1 44 THR HA 2.690 . 3.690 2.871 2.773 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 44 THR H 1 44 THR HB 2.690 . 3.690 2.228 2.116 2.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 44 THR H 1 44 THR MG 3.850 . 6.000 3.662 3.605 3.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 44 THR H 1 45 VAL H 2.820 . 3.940 2.826 2.568 3.170 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 44 THR H 1 46 MET H 3.460 . 5.210 4.350 3.802 5.223 0.013 28 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 44 THR HA 1 44 THR MG 3.350 . 5.000 2.512 2.404 2.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 44 THR HA 1 45 VAL H 2.950 . 4.200 3.589 3.565 3.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 44 THR HA 1 45 VAL HA 3.350 . 5.000 4.911 4.823 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 44 THR HA 1 47 ARG H 2.750 . 3.800 3.551 3.066 3.820 0.020 29 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 44 THR HA 1 47 ARG QB 3.350 . 5.000 2.591 2.007 3.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 44 THR HB 1 45 VAL H 2.540 . 3.390 2.332 2.161 2.617 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 44 THR HB 1 45 VAL QG 3.750 . 5.800 3.641 3.197 4.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 44 THR MG 1 45 VAL H 3.600 . 5.500 2.750 2.337 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 44 THR MG 1 45 VAL HA 3.350 . 5.000 3.096 2.934 3.412 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 44 THR MG 1 45 VAL HB 3.500 . 5.300 4.265 3.673 4.443 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 44 THR MG 1 48 MET HA 3.700 . 5.700 4.640 4.383 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 44 THR MG 1 48 MET QG 3.350 . 5.000 2.879 1.793 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 45 VAL H 1 45 VAL HA 2.700 . 3.700 2.788 2.763 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 45 VAL H 1 45 VAL HB 2.580 . 3.460 2.368 2.180 2.558 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 45 VAL H 1 45 VAL QG 3.190 . 4.670 2.079 1.829 2.518 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 45 VAL H 1 46 MET H 2.730 . 3.760 3.007 2.640 3.321 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 45 VAL H 1 46 MET QB 3.810 . 5.920 4.890 4.432 5.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 45 VAL H 1 46 MET QG 3.600 . 5.500 4.406 3.755 4.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 45 VAL H 1 47 ARG H 3.480 . 5.260 4.342 3.857 5.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 45 VAL H 1 48 MET H 3.270 . 4.840 4.571 4.375 4.846 0.006 20 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 45 VAL HA 1 46 MET H 3.140 . 4.580 3.573 3.507 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 45 VAL HA 1 48 MET H 3.110 . 4.520 3.748 3.183 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 45 VAL HA 1 48 MET QB 3.350 . 5.000 2.760 1.941 3.759 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 45 VAL HB 1 46 MET H 2.880 . 4.050 3.029 2.032 3.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 45 VAL HB 1 78 PHE QE 3.350 . 5.000 4.085 2.929 4.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 45 VAL QG 1 46 MET H 3.630 . 5.560 2.256 1.755 3.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 45 VAL QG 1 46 MET HA 3.350 . 5.000 3.096 2.875 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 45 VAL QG 1 49 LEU HG 3.750 . 5.800 3.563 2.752 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 45 VAL QG 1 78 PHE QE 3.350 . 5.000 2.229 1.798 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 46 MET H 1 46 MET HA 2.700 . 3.700 2.864 2.753 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
525 1 46 MET H 1 46 MET QB 2.730 . 3.760 2.298 2.110 2.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 46 MET H 1 46 MET QG 2.850 . 4.000 2.197 1.827 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 46 MET H 1 47 ARG H 2.760 . 3.820 2.732 2.430 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 46 MET H 1 48 MET H 3.850 . 6.000 4.124 3.567 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 46 MET H 1 78 PHE QE 3.300 . 4.900 3.682 2.733 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 46 MET HA 1 46 MET ME 3.350 . 5.000 3.920 2.360 4.191 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
531 1 46 MET HA 1 47 ARG H 3.070 . 4.440 3.562 3.473 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 46 MET HA 1 49 LEU H 3.020 . 4.340 3.844 3.474 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 46 MET HA 1 51 GLN QG 3.650 . 5.600 4.384 2.867 5.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 46 MET HA 1 78 PHE QE 3.350 . 5.000 4.096 3.303 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 46 MET HA 1 82 MET QG 3.500 . 5.300 4.255 2.584 4.747 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 46 MET ME 1 53 PRO QB 3.350 . 5.000 2.336 1.806 3.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 46 MET ME 1 78 PHE QE 3.350 . 5.000 3.738 2.053 4.123 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 46 MET ME 1 82 MET HA 3.350 . 5.000 3.225 1.972 4.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 46 MET ME 1 85 GLN H 3.850 . 6.000 3.842 3.097 4.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 46 MET ME 1 85 GLN QB 3.350 . 5.000 2.205 1.623 3.317 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 46 MET ME 1 85 GLN QG 3.350 . 5.000 2.542 1.846 3.712 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 46 MET QG 1 51 GLN QB 3.550 . 5.400 4.087 3.423 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 47 ARG H 1 47 ARG HA 2.710 . 3.720 2.898 2.764 2.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 47 ARG H 1 47 ARG QB 2.520 . 3.350 2.101 1.930 2.258 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 47 ARG H 1 47 ARG QD 3.520 . 5.340 4.251 3.298 4.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 47 ARG H 1 48 MET H 2.670 . 3.640 2.595 2.417 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 47 ARG H 1 49 LEU H 3.630 . 5.560 3.898 3.566 4.303 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 47 ARG H 1 51 GLN QB 3.900 . 6.100 4.821 4.102 5.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 47 ARG HA 1 48 MET H 3.210 . 4.710 3.553 3.472 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 47 ARG HA 1 49 LEU QD 4.550 . 7.400 5.371 5.053 5.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 47 ARG HA 1 51 GLN H 2.830 . 3.950 3.366 2.605 3.956 0.006 36 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 47 ARG QB 1 48 MET H 2.600 . 3.500 2.589 2.188 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 47 ARG HE 1 53 PRO QD 3.350 . 5.000 3.498 1.966 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 47 ARG QG 1 53 PRO HA 4.100 . 6.500 5.616 5.050 5.802 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 48 MET H 1 48 MET HA 2.700 . 3.700 2.886 2.820 2.918 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 48 MET H 1 48 MET QG 3.150 . 4.600 3.460 2.564 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 48 MET H 1 49 LEU H 2.660 . 3.620 2.641 2.507 2.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 48 MET H 1 50 GLY H 3.160 . 4.620 4.470 4.221 4.648 0.028 22 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 48 MET HA 1 48 MET QG 3.350 . 5.000 2.355 1.916 3.039 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 48 MET HA 1 49 LEU H 3.070 . 4.440 3.389 3.267 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 48 MET QB 1 49 LEU H 3.120 . 4.540 3.183 2.909 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 49 LEU H 1 49 LEU HA 2.690 . 3.690 2.958 2.924 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 49 LEU H 1 49 LEU QB 2.600 . 3.500 2.154 1.960 2.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 49 LEU H 1 49 LEU HG 3.100 . 4.500 3.060 2.079 4.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 49 LEU H 1 50 GLY H 2.750 . 3.810 2.353 2.045 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 49 LEU H 1 51 GLN H 3.050 . 4.400 3.669 3.282 4.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 49 LEU HA 1 49 LEU QD 3.350 . 5.000 2.180 1.836 2.883 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 49 LEU HA 1 49 LEU HG 3.350 . 5.000 2.596 1.958 3.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 49 LEU HA 1 50 GLY H 3.040 . 4.370 3.540 3.368 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 49 LEU QB 1 50 GLY H 3.720 . 5.740 2.674 2.176 3.251 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 49 LEU QB 1 51 GLN H 3.600 . 5.500 3.260 2.765 4.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 49 LEU QD 1 78 PHE QE 3.450 . 5.200 3.033 2.423 3.723 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 49 LEU QD 1 82 MET HA 3.650 . 5.600 4.049 3.702 4.166 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 49 LEU HG 1 50 GLY H 3.760 . 5.820 4.598 3.833 5.286 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 50 GLY H 1 51 GLN H 2.670 . 3.630 1.912 1.824 2.184 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 50 GLY H 1 51 GLN QG 3.850 . 6.000 3.574 2.584 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 50 GLY QA 1 51 GLN H 2.960 . 4.210 2.868 2.663 2.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 50 GLY QA 1 51 GLN QG 3.550 . 5.400 3.697 3.288 4.332 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 51 GLN H 1 51 GLN HA 2.710 . 3.720 2.970 2.933 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 51 GLN H 1 51 GLN QB 2.840 . 3.980 2.577 2.332 3.128 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 51 GLN H 1 52 ASN H 3.390 . 5.080 4.436 4.240 4.611 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 51 GLN HA 1 51 GLN QG 3.350 . 5.000 2.791 2.284 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 51 GLN HA 1 52 ASN H 2.450 . 3.200 2.732 2.521 2.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 51 GLN HA 1 86 MET QG 3.350 . 5.000 3.702 2.426 4.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 51 GLN QB 1 52 ASN H 2.980 . 4.260 2.140 1.874 2.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 51 GLN QB 1 52 ASN QB 3.650 . 5.600 4.216 3.973 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 51 GLN QB 1 89 ASP H 3.750 . 5.800 5.175 5.011 5.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 51 GLN QG 1 52 ASN H 3.200 . 4.700 4.010 3.668 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 51 GLN QG 1 85 GLN HA 3.950 . 6.200 5.366 5.043 5.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 51 GLN QG 1 86 MET QB 3.350 . 5.000 3.137 1.957 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 51 GLN QG 1 86 MET QG 3.350 . 5.000 1.925 1.643 3.436 0.057 36 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 52 ASN H 1 52 ASN HA 2.710 . 3.730 2.953 2.941 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 52 ASN H 1 52 ASN QB 2.730 . 3.760 2.740 2.424 3.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 52 ASN H 1 53 PRO QB 3.650 . 5.600 4.830 4.493 5.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 52 ASN H 1 53 PRO QD 2.980 . 4.250 3.064 2.547 3.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 52 ASN HA 1 53 PRO QD 3.350 . 5.000 2.016 1.928 2.180 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 52 ASN QB 1 53 PRO QD 3.350 . 5.000 3.765 3.482 3.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 52 ASN QB 1 85 GLN QG 3.750 . 5.800 4.453 3.787 4.640 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 53 PRO HA 1 53 PRO QG 3.350 . 5.000 3.515 3.510 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 53 PRO HA 1 54 THR H 2.310 . 2.910 2.248 2.216 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 53 PRO HA 1 85 GLN QB 3.350 . 5.000 4.437 4.218 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 53 PRO HA 1 85 GLN QG 3.350 . 5.000 3.413 2.879 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 53 PRO QB 1 58 LEU HG 3.500 . 5.300 3.383 2.355 4.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 53 PRO QG 1 54 THR H 3.550 . 5.400 4.712 4.483 4.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 53 PRO QG 1 58 LEU QB 3.700 . 5.700 4.303 3.127 4.543 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 53 PRO QG 1 58 LEU QD 3.350 . 5.000 2.162 1.756 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 54 THR H 1 54 THR HA 2.700 . 3.700 2.862 2.839 2.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 54 THR H 1 54 THR MG 2.820 . 3.940 2.408 1.848 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 54 THR H 1 57 GLU H 3.100 . 4.500 4.175 3.861 4.503 0.003 19 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 54 THR H 1 57 GLU QB 2.580 . 3.460 2.720 2.309 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 54 THR H 1 57 GLU QG 2.850 . 4.000 3.188 2.613 3.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 54 THR H 1 58 LEU H 3.560 . 5.410 4.640 3.742 5.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 54 THR HA 1 54 THR MG 3.350 . 5.000 2.201 1.900 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 54 THR HA 1 55 LYS H 2.400 . 3.090 2.275 2.247 2.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 54 THR HA 1 56 GLU H 3.450 . 5.200 4.378 3.939 4.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 54 THR HA 1 57 GLU H 3.700 . 5.700 4.550 4.315 4.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 54 THR HA 1 57 GLU QB 3.500 . 5.300 4.286 3.975 4.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 54 THR HB 1 55 LYS H 2.460 . 3.210 3.165 2.909 3.232 0.022 6 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 54 THR HB 1 56 GLU H 2.810 . 3.910 3.131 2.638 3.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 54 THR HB 1 56 GLU QB 3.350 . 5.000 3.275 2.909 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 54 THR HB 1 57 GLU H 3.080 . 4.460 3.228 2.427 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 54 THR MG 1 57 GLU H 3.600 . 5.500 4.285 3.982 4.490 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 54 THR MG 1 57 GLU QG 3.350 . 5.000 3.359 2.455 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 55 LYS H 1 55 LYS HA 2.700 . 3.700 2.776 2.755 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 55 LYS H 1 55 LYS QB 2.620 . 3.540 2.079 2.008 2.197 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 55 LYS H 1 55 LYS QG 3.080 . 4.460 3.849 3.650 3.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 55 LYS H 1 56 GLU H 2.820 . 3.940 3.008 2.868 3.186 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 55 LYS HA 1 55 LYS QG 3.350 . 5.000 2.184 2.018 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 55 LYS HA 1 56 GLU H 3.120 . 4.540 3.581 3.531 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 55 LYS HA 1 58 LEU H 2.970 . 4.240 3.500 3.195 3.738 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 55 LYS HA 1 58 LEU QD 3.350 . 5.000 2.875 2.241 3.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 55 LYS QB 1 56 GLU H 2.730 . 3.760 2.294 1.990 2.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 55 LYS QG 1 56 GLU H 3.250 . 4.790 3.790 3.243 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 55 LYS QG 1 56 GLU HA 3.350 . 5.000 4.216 3.405 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 55 LYS QG 1 58 LEU H 3.770 . 5.840 4.876 4.523 5.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 55 LYS QG 1 58 LEU QB 3.600 . 5.500 3.599 3.172 4.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 55 LYS QG 1 58 LEU HG 3.450 . 5.200 4.626 4.432 4.653 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 55 LYS QG 1 59 ASP H 3.310 . 4.910 4.167 3.766 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 56 GLU H 1 56 GLU HA 2.700 . 3.700 2.822 2.756 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 56 GLU H 1 56 GLU QB 2.650 . 3.600 2.084 1.922 2.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 56 GLU H 1 56 GLU QG 3.080 . 4.460 3.277 1.911 3.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 56 GLU H 1 57 GLU H 2.660 . 3.620 2.836 2.540 3.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 56 GLU HA 1 56 GLU QG 3.350 . 5.000 2.253 1.921 3.299 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 56 GLU HA 1 59 ASP H 2.810 . 3.910 3.879 3.526 3.931 0.021 23 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 56 GLU HA 1 59 ASP QB 3.350 . 5.000 3.096 2.778 4.126 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 56 GLU QB 1 57 GLU H 2.770 . 3.840 2.555 1.999 3.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 56 GLU QB 1 57 GLU QG 3.450 . 5.200 3.411 2.628 4.145 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 57 GLU H 1 57 GLU HA 2.700 . 3.700 2.873 2.787 2.948 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 57 GLU H 1 57 GLU QB 2.440 . 3.190 2.137 1.953 2.422 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 57 GLU H 1 57 GLU QG 2.790 . 3.870 2.611 1.983 3.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 57 GLU H 1 58 LEU H 2.650 . 3.600 2.697 2.359 3.068 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 57 GLU HA 1 57 GLU QG 3.350 . 5.000 2.398 1.955 3.052 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 57 GLU HA 1 60 ALA H 3.040 . 4.380 3.522 3.204 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 57 GLU QB 1 58 LEU H 2.820 . 3.940 2.495 2.151 2.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 57 GLU QB 1 58 LEU QB 3.950 . 6.200 4.165 3.720 4.509 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 58 LEU H 1 58 LEU HA 2.700 . 3.700 2.833 2.770 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 58 LEU H 1 58 LEU QB 2.660 . 3.620 2.261 1.909 2.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 58 LEU H 1 58 LEU QD 3.470 . 5.240 2.914 2.474 3.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 58 LEU H 1 58 LEU HG 2.950 . 4.200 2.860 1.854 4.244 0.044 23 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 58 LEU H 1 60 ALA H 3.650 . 5.600 4.066 3.734 4.403 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 58 LEU HA 1 58 LEU QD 3.350 . 5.000 1.915 1.668 2.317 0.032 28 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 58 LEU HA 1 58 LEU HG 3.350 . 5.000 3.267 3.023 3.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 58 LEU HA 1 61 ILE H 2.640 . 3.580 3.536 3.295 3.605 0.025 16 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 58 LEU HA 1 61 ILE HB 3.350 . 5.000 2.765 2.356 3.143 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
665 1 58 LEU HA 1 61 ILE MD 3.350 . 5.000 2.806 1.880 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 58 LEU QB 1 59 ASP H 2.890 . 4.080 2.271 1.943 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 58 LEU QD 1 61 ILE HB 3.450 . 5.200 3.442 2.447 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 58 LEU HG 1 59 ASP H 3.080 . 4.460 3.964 3.107 4.489 0.029 20 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 59 ASP H 1 59 ASP HA 2.690 . 3.690 2.841 2.777 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 59 ASP H 1 59 ASP QB 2.730 . 3.750 2.078 1.921 2.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 59 ASP H 1 60 ALA H 2.730 . 3.760 2.736 2.543 2.965 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 59 ASP H 1 61 ILE H 3.620 . 5.540 4.326 3.883 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 59 ASP H 1 62 ILE H 3.420 . 5.140 4.824 4.606 5.156 0.016 11 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 59 ASP HA 1 60 ALA H 3.170 . 4.630 3.543 3.470 3.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 59 ASP HA 1 62 ILE H 2.960 . 4.220 3.871 3.558 4.161 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 59 ASP HA 1 62 ILE HB 3.350 . 5.000 2.738 2.448 3.226 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 59 ASP HA 1 62 ILE MD 3.350 . 5.000 2.608 1.896 3.497 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 59 ASP HA 1 63 GLU H 3.440 . 5.170 3.828 3.593 4.066 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 59 ASP HA 1 63 GLU QB 3.350 . 5.000 4.426 4.225 4.474 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 59 ASP QB 1 60 ALA H 2.960 . 4.210 2.690 2.288 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 60 ALA H 1 60 ALA HA 2.690 . 3.690 2.898 2.834 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 60 ALA H 1 60 ALA MB 2.790 . 3.880 2.051 1.909 2.196 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 60 ALA H 1 61 ILE H 2.650 . 3.610 2.613 2.403 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 60 ALA H 1 61 ILE HB 3.380 . 5.060 4.559 4.330 4.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 60 ALA H 1 62 ILE H 3.830 . 5.960 4.224 3.780 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 60 ALA HA 1 61 ILE HB 3.750 . 5.800 5.702 5.617 5.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 60 ALA HA 1 63 GLU H 3.050 . 4.400 4.302 4.018 4.415 0.015 10 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 60 ALA HA 1 63 GLU QB 3.350 . 5.000 3.337 2.763 3.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 60 ALA HA 1 64 GLU H 3.850 . 6.000 4.396 3.938 4.986 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
690 1 60 ALA MB 1 61 ILE H 3.040 . 4.370 2.477 2.182 2.810 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 61 ILE H 1 61 ILE HA 2.710 . 3.710 2.889 2.820 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
692 1 61 ILE H 1 61 ILE HB 2.450 . 3.200 2.269 2.124 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 61 ILE H 1 61 ILE MD 3.410 . 5.120 2.902 1.826 3.516 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 61 ILE H 1 61 ILE QG 2.890 . 4.080 2.454 1.921 3.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 61 ILE H 1 61 ILE MG 3.390 . 5.080 3.676 3.611 3.716 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 61 ILE H 1 62 ILE H 2.680 . 3.660 2.707 2.551 3.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 61 ILE HA 1 61 ILE MD 3.350 . 5.000 3.554 2.050 3.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 61 ILE HA 1 61 ILE QG 3.350 . 5.000 2.345 2.134 2.887 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 61 ILE HA 1 61 ILE MG 3.350 . 5.000 2.435 2.296 2.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 61 ILE HA 1 62 ILE H 3.160 . 4.620 3.584 3.548 3.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 61 ILE HA 1 64 GLU H 3.150 . 4.590 3.538 3.304 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 61 ILE HA 1 65 VAL H 3.650 . 5.600 3.931 3.512 4.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 61 ILE HB 1 61 ILE MD 3.350 . 5.000 2.172 1.894 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 61 ILE HB 1 62 ILE H 2.640 . 3.580 2.397 2.084 2.729 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 61 ILE QG 1 81 MET QG 3.350 . 5.000 3.456 2.212 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 61 ILE MG 1 64 GLU QG 3.350 . 5.000 3.678 2.643 3.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 61 ILE MG 1 65 VAL H 3.600 . 5.500 3.605 3.262 3.976 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 62 ILE H 1 62 ILE HA 2.710 . 3.720 2.797 2.757 2.837 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 62 ILE H 1 62 ILE HB 2.330 . 2.960 2.332 2.237 2.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 62 ILE H 1 62 ILE MD 3.070 . 4.440 3.334 1.809 3.642 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 62 ILE H 1 63 GLU H 2.770 . 3.830 3.147 2.969 3.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 62 ILE H 1 64 GLU H 3.570 . 5.440 4.062 3.862 4.283 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 62 ILE HA 1 62 ILE MG 3.350 . 5.000 2.450 2.386 2.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
714 1 62 ILE HA 1 63 GLU H 3.310 . 4.920 3.586 3.572 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 62 ILE HA 1 64 GLU H 3.730 . 5.750 4.261 4.024 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 62 ILE HA 1 65 VAL H 3.080 . 4.460 3.444 3.233 3.690 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 62 ILE HA 1 65 VAL QG 3.350 . 5.000 1.900 1.805 2.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 62 ILE HA 1 66 ASP H 3.270 . 4.830 4.035 3.838 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 62 ILE HB 1 63 GLU H 2.740 . 3.780 2.141 1.992 2.356 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 62 ILE HB 1 64 GLU H 3.640 . 5.580 4.553 4.299 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 62 ILE HB 1 65 VAL H 3.700 . 5.700 5.425 5.215 5.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 62 ILE HB 1 65 VAL QG 3.700 . 5.700 4.231 4.157 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 62 ILE HB 1 66 ASP H 3.750 . 5.800 5.738 5.559 5.827 0.027 8 0 "[ . 1 . 2 . 3 . 4]" 1
724 1 62 ILE QG 1 63 GLU H 3.700 . 5.700 4.018 3.921 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 62 ILE MG 1 63 GLU H 3.540 . 5.380 2.589 2.232 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
726 1 62 ILE MG 1 63 GLU HA 3.350 . 5.000 3.171 2.931 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 62 ILE MG 1 63 GLU QB 3.350 . 5.000 3.615 3.292 3.714 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 62 ILE MG 1 66 ASP HA 3.450 . 5.200 4.199 3.662 4.352 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 63 GLU H 1 63 GLU HA 2.690 . 3.680 2.785 2.748 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 63 GLU H 1 63 GLU QB 2.580 . 3.460 2.069 1.935 2.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 63 GLU H 1 63 GLU QG 3.120 . 4.540 3.789 3.282 3.978 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 63 GLU H 1 64 GLU H 2.750 . 3.790 2.869 2.721 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 63 GLU H 1 65 VAL H 3.500 . 5.290 4.478 4.188 4.778 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 63 GLU H 1 66 ASP H 3.630 . 5.560 4.584 4.444 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 63 GLU HA 1 63 GLU QG 3.350 . 5.000 2.264 2.031 2.553 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 63 GLU HA 1 64 GLU H 3.140 . 4.580 3.549 3.513 3.576 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 63 GLU HA 1 66 ASP H 3.600 . 5.500 3.442 3.184 3.621 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 63 GLU HA 1 66 ASP QB 3.350 . 5.000 2.134 1.930 2.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 63 GLU QB 1 66 ASP QB 3.400 . 5.100 4.035 3.902 4.075 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 63 GLU QG 1 66 ASP QB 3.350 . 5.000 3.652 3.397 3.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 64 GLU H 1 64 GLU HA 2.690 . 3.690 2.886 2.842 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 64 GLU H 1 64 GLU QB 2.460 . 3.210 2.051 1.995 2.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
743 1 64 GLU H 1 64 GLU QG 3.120 . 4.540 3.759 2.954 3.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 64 GLU H 1 65 VAL H 2.690 . 3.670 2.681 2.464 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 64 GLU H 1 65 VAL QG 3.830 . 5.960 3.467 3.320 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 64 GLU H 1 66 ASP H 3.370 . 5.040 3.638 3.510 3.767 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
747 1 64 GLU HA 1 64 GLU QG 3.350 . 5.000 2.720 2.570 3.237 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 64 GLU HA 1 65 VAL H 3.020 . 4.340 3.575 3.534 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 64 GLU QB 1 65 VAL H 2.750 . 3.800 2.532 2.293 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
750 1 64 GLU QG 1 65 VAL H 3.600 . 5.500 2.813 2.064 3.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 64 GLU QG 1 65 VAL HA 3.350 . 5.000 3.284 3.123 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 64 GLU QG 1 65 VAL HB 3.350 . 5.000 4.462 4.082 4.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 65 VAL H 1 65 VAL HA 2.710 . 3.720 2.945 2.885 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 65 VAL H 1 65 VAL HB 2.690 . 3.680 3.571 3.527 3.650 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 65 VAL H 1 65 VAL QG 2.760 . 3.820 1.790 1.683 1.973 0.017 30 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 65 VAL H 1 66 ASP QB 3.600 . 5.500 3.983 3.737 4.207 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 65 VAL H 1 67 GLU H 4.220 . 6.750 5.037 4.122 6.752 0.002 17 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 65 VAL HA 1 66 ASP H 2.850 . 4.000 3.351 3.230 3.434 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 65 VAL HA 1 67 GLU H 4.200 . 6.700 4.329 3.234 6.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 65 VAL HB 1 74 ASP H 3.300 . 4.900 4.722 4.331 4.920 0.020 13 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 65 VAL HB 1 77 GLU QG 3.350 . 5.000 3.848 2.994 4.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 65 VAL QG 1 66 ASP H 3.080 . 4.460 2.553 2.151 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 65 VAL QG 1 81 MET QG 3.350 . 5.000 3.269 3.100 3.320 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 65 VAL MG2 1 67 GLU H 4.100 . 6.500 4.523 4.079 5.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 66 ASP H 1 66 ASP HA 2.710 . 3.730 2.931 2.840 2.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 66 ASP H 1 66 ASP QB 2.580 . 3.470 2.140 1.922 2.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 66 ASP H 1 67 GLU H 3.600 . 5.500 3.102 2.157 4.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 66 ASP H 1 67 GLU HA 3.800 . 5.900 5.115 4.764 5.846 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
769 1 66 ASP H 1 68 ASP H 3.900 . 6.100 4.782 3.048 6.122 0.022 8 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 66 ASP HA 1 67 GLU H 2.670 . 3.640 3.067 2.260 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 66 ASP HA 1 68 ASP H 3.750 . 5.800 4.030 2.999 5.822 0.022 29 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 66 ASP HA 1 69 GLY H 4.200 . 6.700 4.778 3.138 6.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 66 ASP HA 1 70 SER H 4.350 . 7.000 5.460 3.199 6.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 66 ASP HA 1 72 THR H 4.200 . 6.700 5.153 3.428 6.363 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 66 ASP QB 1 67 GLU H 3.350 . 5.000 3.206 1.863 4.047 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 66 ASP QB 1 68 ASP HA 4.800 . 7.900 6.175 4.335 7.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 66 ASP QB 1 69 GLY H 4.050 . 6.400 5.252 3.485 5.775 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 67 GLU H 1 67 GLU HA 2.690 . 3.680 2.855 2.755 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 67 GLU H 1 67 GLU QB 2.670 . 3.640 2.149 1.922 2.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 67 GLU H 1 67 GLU QG 3.170 . 4.630 3.098 1.885 3.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 67 GLU H 1 68 ASP H 3.100 . 4.500 3.213 2.543 4.511 0.011 29 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 67 GLU H 1 68 ASP HA 3.720 . 5.740 5.288 4.982 5.649 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 67 GLU H 1 68 ASP QB 4.250 . 6.800 4.762 4.125 6.029 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 67 GLU H 1 69 GLY H 3.500 . 5.300 4.801 3.837 5.316 0.016 17 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 67 GLU HA 1 67 GLU QG 3.350 . 5.000 2.413 1.921 3.388 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 67 GLU HA 1 68 ASP H 2.920 . 4.130 3.040 2.211 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 67 GLU HA 1 69 GLY H 3.480 . 5.260 3.966 3.132 5.230 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 67 GLU QG 1 68 ASP H 3.480 . 5.250 3.911 2.015 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 67 GLU QG 1 69 GLY H 4.050 . 6.400 4.817 3.105 5.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 68 ASP H 1 68 ASP HA 2.690 . 3.690 2.903 2.858 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 68 ASP H 1 68 ASP QB 2.830 . 3.950 2.178 1.926 2.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 68 ASP H 1 69 GLY H 2.950 . 4.200 2.784 1.952 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 68 ASP H 1 69 GLY QA 3.800 . 5.900 4.541 4.077 4.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 68 ASP H 1 70 SER H 3.400 . 5.090 4.252 3.514 5.057 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 68 ASP HA 1 69 GLY H 3.040 . 4.380 3.269 2.510 3.584 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 68 ASP HA 1 70 SER H 3.790 . 5.880 4.707 4.004 5.891 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 68 ASP QB 1 69 GLY H 3.850 . 6.000 3.197 2.301 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 68 ASP QB 1 70 SER H 3.950 . 6.200 3.558 2.117 5.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 69 GLY H 1 69 GLY QA 2.580 . 3.470 2.402 2.242 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 69 GLY H 1 70 SER H 2.730 . 3.760 2.431 1.960 3.192 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 69 GLY H 1 70 SER HA 3.520 . 5.340 4.820 4.382 5.329 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 69 GLY H 1 70 SER QB 3.660 . 5.620 4.453 3.480 5.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
803 1 69 GLY H 1 71 GLY H 3.560 . 5.420 3.681 2.656 5.430 0.010 4 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 69 GLY QA 1 70 SER H 2.750 . 3.810 2.783 2.504 2.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 70 SER H 1 70 SER HA 2.700 . 3.700 2.987 2.943 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 70 SER H 1 70 SER QB 2.870 . 4.040 2.377 2.000 3.050 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 70 SER H 1 71 GLY H 2.830 . 3.950 2.437 1.874 3.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 70 SER H 1 71 GLY QA 3.500 . 5.300 4.161 3.853 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 70 SER H 1 72 THR H 4.100 . 6.500 5.010 3.533 6.506 0.006 11 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 70 SER HA 1 71 GLY H 3.030 . 4.360 3.413 2.346 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 70 SER HA 1 72 THR H 4.150 . 6.600 5.252 3.322 6.625 0.025 33 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 70 SER QB 1 71 GLY H 3.700 . 5.700 2.816 1.819 3.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 71 GLY H 1 72 THR H 3.250 . 4.800 3.058 1.871 4.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 71 GLY QA 1 72 THR H 3.330 . 4.960 2.576 2.157 2.937 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 72 THR H 1 72 THR HB 3.440 . 5.170 3.574 2.413 3.784 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 72 THR H 1 72 THR MG 3.590 . 5.480 2.706 1.811 3.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 72 THR H 1 73 ILE H 3.850 . 6.000 4.264 2.902 4.600 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 72 THR H 1 73 ILE HA 3.650 . 5.590 5.008 4.644 5.453 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 72 THR HB 1 73 ILE H 2.580 . 3.460 2.480 1.878 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 73 ILE H 1 73 ILE HA 2.730 . 3.750 2.992 2.948 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 73 ILE H 1 73 ILE QG 3.150 . 4.600 4.006 3.892 4.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 73 ILE H 1 73 ILE MG 2.910 . 4.120 1.930 1.832 2.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 73 ILE H 1 74 ASP H 3.350 . 5.000 4.497 3.926 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 73 ILE HA 1 73 ILE QG 3.350 . 5.000 2.645 2.261 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 73 ILE HA 1 73 ILE MG 3.350 . 5.000 3.186 3.177 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 73 ILE HA 1 74 ASP H 2.290 . 2.880 2.279 2.211 2.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 73 ILE HB 1 78 PHE QB 3.350 . 5.000 4.295 3.903 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 73 ILE MD 1 81 MET QG 3.350 . 5.000 3.305 2.620 3.717 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 73 ILE QG 1 74 ASP H 2.700 . 3.700 2.388 1.812 3.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 73 ILE QG 1 77 GLU QB 3.350 . 5.000 3.431 2.748 3.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 73 ILE QG 1 78 PHE H 3.010 . 4.320 3.204 2.566 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 73 ILE QG 1 78 PHE QB 3.350 . 5.000 1.820 1.712 2.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 73 ILE MG 1 74 ASP H 3.410 . 5.120 3.792 3.072 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 74 ASP H 1 74 ASP HA 2.720 . 3.740 2.961 2.922 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 74 ASP H 1 74 ASP QB 2.940 . 4.170 2.228 1.977 2.762 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 74 ASP H 1 75 PHE H 3.350 . 5.000 4.567 4.428 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 74 ASP H 1 77 GLU H 3.120 . 4.540 4.262 3.960 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 74 ASP H 1 77 GLU HA 3.750 . 5.800 5.748 5.480 5.834 0.034 13 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 74 ASP H 1 77 GLU QG 3.280 . 4.860 3.989 3.450 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 74 ASP H 1 78 PHE H 3.350 . 5.000 3.932 3.364 4.322 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 74 ASP HA 1 75 PHE H 2.500 . 3.290 2.249 2.213 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 74 ASP HA 1 76 GLU H 3.560 . 5.420 4.383 4.060 4.862 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 74 ASP QB 1 75 PHE H 2.750 . 3.800 3.239 2.883 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 74 ASP QB 1 76 GLU H 3.300 . 4.900 3.205 2.949 3.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 74 ASP QB 1 77 GLU H 3.520 . 5.340 2.468 2.204 3.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 75 PHE H 1 75 PHE HA 2.710 . 3.720 2.787 2.754 2.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 75 PHE H 1 75 PHE QB 2.560 . 3.420 2.120 2.045 2.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 75 PHE H 1 75 PHE QD 3.200 . 4.700 4.036 3.829 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 75 PHE H 1 76 GLU H 2.790 . 3.880 3.012 2.819 3.169 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 75 PHE H 1 78 PHE H 3.310 . 4.910 4.467 4.360 4.758 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 75 PHE HA 1 75 PHE QD 3.350 . 5.000 2.948 2.091 3.109 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 75 PHE HA 1 76 GLU H 3.310 . 4.910 3.589 3.566 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 75 PHE HA 1 78 PHE H 2.990 . 4.280 3.449 3.195 3.686 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 75 PHE HA 1 78 PHE QD 3.350 . 5.000 2.804 2.063 3.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 75 PHE QB 1 76 GLU H 2.900 . 4.100 2.214 1.932 2.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 75 PHE QB 1 76 GLU QB 3.350 . 5.000 3.917 3.730 3.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 75 PHE QB 1 76 GLU QG 3.350 . 5.000 3.704 3.118 3.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 75 PHE QD 1 76 GLU H 3.220 . 4.740 3.302 2.553 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 75 PHE QD 1 78 PHE QD 3.350 . 5.000 3.850 2.803 4.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 75 PHE HE1 1 79 LEU QD 3.350 . 5.000 2.696 1.929 5.124 0.124 7 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 76 GLU H 1 76 GLU HA 2.700 . 3.700 2.818 2.807 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 76 GLU H 1 76 GLU QB 2.660 . 3.620 2.260 1.980 2.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 76 GLU H 1 76 GLU QG 2.500 . 3.290 2.300 1.835 2.938 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 76 GLU H 1 77 GLU H 2.570 . 3.440 2.907 2.788 3.273 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 76 GLU H 1 78 PHE H 3.480 . 5.260 4.033 3.691 4.568 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 76 GLU HA 1 76 GLU QG 3.350 . 5.000 2.758 1.967 3.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 76 GLU HA 1 77 GLU H 3.060 . 4.420 3.579 3.551 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 76 GLU HA 1 79 LEU H 2.980 . 4.260 3.787 3.500 4.179 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 76 GLU HA 1 79 LEU QD 3.350 . 5.000 1.940 1.745 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 76 GLU HA 1 79 LEU HG 3.430 . 5.160 3.978 3.371 5.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 76 GLU QB 1 77 GLU H 2.850 . 4.000 2.835 2.030 3.368 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 76 GLU QB 1 79 LEU QD 3.650 . 5.600 3.598 3.246 3.733 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 77 GLU H 1 77 GLU HA 2.710 . 3.710 2.903 2.789 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 77 GLU H 1 77 GLU QB 2.630 . 3.570 2.158 2.071 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 77 GLU H 1 77 GLU QG 3.100 . 4.500 3.940 3.826 4.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 77 GLU H 1 78 PHE H 2.670 . 3.650 2.539 2.376 2.835 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 77 GLU HA 1 77 GLU QG 3.350 . 5.000 2.396 2.142 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 77 GLU HA 1 80 VAL H 2.950 . 4.200 3.987 3.692 4.216 0.016 13 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 77 GLU HA 1 80 VAL QG 3.350 . 5.000 3.085 2.442 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 77 GLU QB 1 78 PHE H 2.900 . 4.100 2.656 2.143 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 77 GLU QG 1 78 PHE H 3.530 . 5.360 3.796 3.054 4.233 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 77 GLU QG 1 78 PHE HA 3.450 . 5.200 3.944 3.154 4.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 78 PHE H 1 78 PHE HA 2.700 . 3.700 2.871 2.776 2.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
884 1 78 PHE H 1 78 PHE QB 2.660 . 3.620 2.104 2.026 2.178 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 78 PHE H 1 78 PHE QD 3.150 . 4.600 4.049 3.922 4.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 78 PHE H 1 79 LEU H 2.770 . 3.840 2.615 2.486 2.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 78 PHE H 1 80 VAL H 3.650 . 5.600 4.408 4.112 4.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 78 PHE H 1 81 MET H 3.850 . 6.000 5.340 5.188 5.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 78 PHE HA 1 78 PHE QD 3.350 . 5.000 2.600 2.345 2.959 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 78 PHE HA 1 79 LEU HA 3.350 . 5.000 4.998 4.940 5.024 0.024 19 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 78 PHE QB 1 79 LEU H 3.080 . 4.460 2.769 2.593 2.972 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 78 PHE QB 1 79 LEU QB 3.800 . 5.900 4.545 4.385 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 78 PHE QB 1 81 MET QB 3.450 . 5.200 4.092 3.943 4.150 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 78 PHE QD 1 79 LEU H 2.930 . 4.160 3.534 3.242 3.724 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 78 PHE QD 1 81 MET QB 3.350 . 5.000 2.582 2.007 3.198 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 79 LEU H 1 79 LEU HA 2.710 . 3.730 2.771 2.751 2.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 79 LEU H 1 79 LEU QD 3.350 . 5.000 2.657 1.863 3.219 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 79 LEU H 1 79 LEU HG 2.900 . 4.100 3.148 2.098 4.113 0.013 32 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 79 LEU H 1 80 VAL H 2.810 . 3.910 2.905 2.768 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 79 LEU HA 1 79 LEU QD 3.350 . 5.000 2.241 1.736 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 79 LEU HA 1 79 LEU HG 3.350 . 5.000 2.593 2.033 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 79 LEU HA 1 80 VAL H 3.190 . 4.680 3.543 3.480 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 79 LEU HA 1 82 MET H 3.040 . 4.380 3.566 3.268 4.385 0.005 25 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 79 LEU HA 1 82 MET QB 3.350 . 5.000 3.226 2.402 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 79 LEU HA 1 83 VAL H 3.410 . 5.120 4.258 3.758 4.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 79 LEU QB 1 80 VAL H 3.350 . 5.000 2.725 2.424 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 79 LEU HG 1 80 VAL H 3.450 . 5.200 4.871 4.462 5.213 0.013 11 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 80 VAL H 1 80 VAL HA 2.710 . 3.710 2.867 2.776 2.914 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 80 VAL H 1 80 VAL HB 3.350 . 5.000 3.035 2.212 3.545 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 80 VAL H 1 80 VAL QG 3.120 . 4.540 1.891 1.694 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 80 VAL H 1 81 MET H 2.840 . 3.980 2.678 2.494 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 80 VAL H 1 82 MET H 3.380 . 5.050 4.165 3.871 5.055 0.005 10 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 80 VAL H 1 84 ARG H 3.750 . 5.800 5.678 5.360 5.834 0.034 38 0 "[ . 1 . 2 . 3 . 4]" 1
914 1 80 VAL HA 1 82 MET H 3.640 . 5.580 4.256 3.734 5.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 80 VAL HA 1 83 VAL H 3.180 . 4.660 3.653 3.394 3.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 80 VAL HA 1 83 VAL HB 3.450 . 5.200 3.891 2.447 5.220 0.020 18 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 80 VAL HA 1 83 VAL QG 3.350 . 5.000 2.624 1.821 3.590 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 80 VAL HA 1 84 ARG H 3.200 . 4.700 3.364 2.956 3.694 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 80 VAL HB 1 81 MET H 2.840 . 3.980 3.562 2.204 3.997 0.017 5 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 80 VAL HB 1 84 ARG HE 3.350 . 5.000 4.375 2.921 5.010 0.010 33 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 80 VAL QG 1 81 MET H 3.760 . 5.820 1.996 1.741 3.199 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 80 VAL QG 1 81 MET HA 3.350 . 5.000 3.165 2.892 3.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 81 MET H 1 81 MET HA 2.700 . 3.700 2.866 2.808 2.915 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 81 MET H 1 81 MET QB 2.750 . 3.810 2.057 1.924 2.436 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 81 MET H 1 81 MET QG 3.080 . 4.460 3.093 1.903 3.648 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 81 MET H 1 82 MET H 2.820 . 3.940 2.696 2.461 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 81 MET H 1 82 MET QG 3.020 . 4.340 3.699 3.320 3.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 81 MET HA 1 81 MET QG 3.350 . 5.000 2.385 1.912 3.049 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 81 MET HA 1 82 MET H 3.020 . 4.330 3.515 3.436 3.589 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 81 MET HA 1 84 ARG H 3.250 . 4.800 4.076 3.687 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 81 MET HA 1 84 ARG QB 3.350 . 5.000 2.707 2.101 3.327 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 81 MET QB 1 82 MET H 2.840 . 3.980 2.724 2.020 3.045 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 82 MET H 1 82 MET HA 2.710 . 3.720 2.895 2.768 2.946 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 82 MET H 1 82 MET QB 2.610 . 3.530 2.454 2.266 2.664 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 82 MET HA 1 82 MET QG 3.350 . 5.000 2.647 2.245 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 82 MET HA 1 83 VAL H 3.190 . 4.670 3.574 3.518 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 82 MET HA 1 85 GLN H 3.170 . 4.640 3.972 3.498 4.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 82 MET HA 1 85 GLN QB 3.350 . 5.000 3.151 2.460 3.795 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 82 MET QB 1 83 VAL H 2.790 . 3.890 2.420 1.882 3.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 82 MET QB 1 83 VAL QG 3.400 . 5.100 3.075 2.492 3.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 83 VAL H 1 83 VAL HA 2.710 . 3.710 2.893 2.817 2.941 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 83 VAL H 1 83 VAL HB 2.650 . 3.600 2.664 2.229 3.561 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 83 VAL H 1 83 VAL QG 3.230 . 4.760 2.014 1.736 2.446 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 83 VAL H 1 84 ARG H 2.790 . 3.880 2.710 2.419 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 83 VAL H 1 84 ARG QG 3.200 . 4.700 4.165 3.868 4.227 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 83 VAL HA 1 84 ARG H 3.420 . 5.140 3.577 3.521 3.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 83 VAL HA 1 85 GLN H 3.770 . 5.830 4.160 3.825 4.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 83 VAL HA 1 86 MET H 2.940 . 4.180 3.319 2.998 3.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 83 VAL HA 1 87 LYS H 2.840 . 3.980 3.654 3.192 3.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 83 VAL HB 1 84 ARG H 2.850 . 4.000 3.116 2.031 4.027 0.027 7 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 83 VAL HB 1 84 ARG HA 3.700 . 5.700 4.906 4.171 5.702 0.002 26 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 83 VAL QG 1 84 ARG H 3.850 . 6.000 2.200 1.743 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 83 VAL QG 1 84 ARG QG 3.350 . 5.000 2.530 1.805 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 83 VAL QG 1 87 LYS QB 3.800 . 5.900 3.887 3.600 3.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 83 VAL QG 1 87 LYS QG 3.500 . 5.300 2.411 2.057 3.523 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 84 ARG H 1 84 ARG HA 2.700 . 3.700 2.805 2.752 2.879 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 84 ARG H 1 84 ARG QB 2.590 . 3.480 2.377 2.186 2.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 84 ARG H 1 84 ARG QG 3.250 . 4.790 2.014 1.829 2.411 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 84 ARG H 1 87 LYS H 3.250 . 4.800 4.618 4.360 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 84 ARG HA 1 84 ARG QG 3.350 . 5.000 2.506 2.236 2.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 84 ARG HA 1 87 LYS H 2.800 . 3.900 3.760 3.453 3.922 0.022 33 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 84 ARG HA 1 87 LYS QB 3.350 . 5.000 2.884 2.329 3.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 84 ARG QB 1 85 GLN H 2.820 . 3.940 2.606 2.356 2.781 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 84 ARG QG 1 85 GLN H 3.850 . 6.000 4.043 3.932 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 84 ARG QG 1 87 LYS QG 3.350 . 5.000 3.924 3.538 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 85 GLN H 1 85 GLN HA 2.690 . 3.690 2.932 2.873 2.964 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 85 GLN H 1 85 GLN QB 2.620 . 3.540 2.196 2.119 2.243 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 85 GLN H 1 85 GLN QG 3.100 . 4.500 3.985 3.861 4.028 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 85 GLN H 1 86 MET H 2.710 . 3.710 2.501 2.270 2.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 85 GLN H 1 87 LYS H 2.790 . 3.880 3.703 3.522 3.893 0.013 26 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 85 GLN HA 1 85 GLN QG 3.350 . 5.000 2.862 2.580 3.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 85 GLN HA 1 86 MET H 3.050 . 4.400 3.566 3.506 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 85 GLN HA 1 88 GLU H 2.950 . 4.200 4.155 3.949 4.234 0.034 29 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 85 GLN QB 1 86 MET H 2.580 . 3.470 2.407 1.864 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 85 GLN QB 1 86 MET QG 3.450 . 5.200 4.096 3.805 4.152 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 85 GLN QG 1 86 MET H 3.470 . 5.240 3.534 2.952 3.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 85 GLN QG 1 86 MET QG 3.550 . 5.400 4.114 3.486 4.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 86 MET H 1 86 MET HA 2.690 . 3.690 2.891 2.822 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 86 MET H 1 86 MET QB 2.920 . 4.140 1.951 1.918 2.022 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 86 MET H 1 86 MET QG 2.810 . 3.920 3.256 3.103 3.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 86 MET H 1 87 LYS H 2.790 . 3.870 2.552 2.358 2.754 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 86 MET HA 1 86 MET QG 3.350 . 5.000 1.992 1.892 2.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 86 MET HA 1 89 ASP H 3.270 . 4.840 2.683 2.621 2.865 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 86 MET QB 1 87 LYS H 2.580 . 3.460 2.944 2.792 3.080 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 86 MET QB 1 89 ASP H 3.350 . 5.000 4.441 4.278 4.472 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 86 MET QB 1 89 ASP QB 3.350 . 5.000 3.899 3.721 3.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 86 MET QB 1 90 ALA H 2.950 . 4.200 3.733 3.514 3.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 86 MET QB 1 90 ALA MB 3.350 . 5.000 2.641 2.251 2.927 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 86 MET QG 1 89 ASP HA 3.850 . 6.000 5.352 5.102 5.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 86 MET QG 1 90 ALA MB 3.350 . 5.000 3.379 2.573 3.711 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 87 LYS H 1 87 LYS HA 2.760 . 3.820 2.797 2.791 2.800 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 87 LYS H 1 87 LYS QB 2.320 . 2.940 2.152 2.013 2.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 87 LYS H 1 87 LYS QG 2.460 . 3.230 2.620 1.900 2.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 87 LYS H 1 88 GLU H 2.900 . 4.090 2.777 2.754 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 87 LYS HA 1 87 LYS QG 3.350 . 5.000 2.209 1.946 3.323 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 87 LYS HA 1 88 GLU H 2.600 . 3.500 3.499 3.482 3.530 0.030 13 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 87 LYS QB 1 88 GLU H 3.350 . 5.000 2.866 2.688 3.514 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 87 LYS QB 1 88 GLU HA 3.350 . 5.000 4.083 3.972 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 87 LYS QB 1 89 ASP H 3.800 . 5.900 4.745 4.515 5.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 87 LYS QB 1 90 ALA MB 4.100 . 6.500 4.732 4.367 4.830 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 87 LYS QG 1 88 GLU H 3.350 . 5.000 4.246 2.004 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 87 LYS QG 1 90 ALA MB 4.200 . 6.700 4.439 3.873 4.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 88 GLU H 1 88 GLU HA 2.710 . 3.710 2.976 2.932 2.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 88 GLU H 1 88 GLU QB 2.690 . 3.680 2.162 2.041 2.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 88 GLU H 1 88 GLU QG 3.100 . 4.500 3.560 2.228 4.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 88 GLU H 1 89 ASP H 2.900 . 4.100 2.207 2.161 2.426 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 88 GLU HA 1 88 GLU QG 3.350 . 5.000 2.198 1.931 2.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 88 GLU HA 1 90 ALA H 3.300 . 4.900 4.329 4.131 4.547 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 88 GLU QB 1 90 ALA H 3.400 . 5.100 4.547 4.390 4.579 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 89 ASP H 1 90 ALA H 2.730 . 3.750 2.451 2.299 2.524 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 89 ASP HA 1 90 ALA H 3.350 . 5.000 3.518 3.471 3.540 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 89 ASP QB 1 90 ALA H 3.210 . 4.720 2.764 2.624 2.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 90 ALA H 1 90 ALA HA 2.690 . 3.690 2.922 2.851 2.963 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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