NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
648338 |
6rfm   |
34393 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6rfm
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 1151
_Distance_constraint_stats_list.Viol_count 5139
_Distance_constraint_stats_list.Viol_total 7673.427
_Distance_constraint_stats_list.Viol_max 0.518
_Distance_constraint_stats_list.Viol_rms 0.0138
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0299
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 4 SER 0.446 0.149 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 5 PHE 2.496 0.156 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 6 SER 1.735 0.080 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 7 LEU 2.127 0.080 18 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 8 GLY 0.022 0.012 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 9 GLU 0.342 0.046 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 10 VAL 2.639 0.359 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 11 SER 0.494 0.034 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 12 ASP 1.864 0.110 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 13 MET 4.416 0.359 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 14 ALA 1.769 0.167 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 15 ALA 2.822 0.212 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 16 VAL 9.495 0.212 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 17 GLU 2.872 0.106 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 18 ALA 0.118 0.029 30 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 19 ALA 0.628 0.066 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 20 GLU 2.008 0.146 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 21 LEU 1.454 0.055 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 22 GLU 0.404 0.055 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 23 MET 6.204 0.292 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 24 THR 2.354 0.194 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 25 ARG 2.809 0.263 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 26 GLN 2.148 0.075 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 27 VAL 10.694 0.292 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 28 LEU 2.747 0.144 16 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 29 HIS 0.617 0.071 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 30 ALA 0.823 0.118 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 32 ALA 4.313 0.384 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 33 ARG 5.728 0.384 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 34 GLN 1.317 0.090 17 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 35 ASP 1.105 0.131 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 36 ASP 2.905 0.163 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 37 ALA 2.377 0.163 25 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 38 GLU 1.996 0.108 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 39 PRO 1.977 0.108 50 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 40 GLY 2.298 0.182 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 41 VAL 1.515 0.182 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 44 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 45 SER 0.034 0.023 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 46 ALA 3.210 0.165 41 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 47 HIS 1.332 0.064 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 48 TRP 1.714 0.096 40 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 49 GLY 0.449 0.055 39 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 50 GLN 5.898 0.232 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 51 ARG 2.568 0.080 23 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 52 ALA 2.533 0.077 28 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 53 LEU 8.152 0.232 45 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 54 GLN 6.219 0.097 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 55 GLY 5.485 0.166 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 56 ALA 3.805 0.132 7 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 57 GLN 11.028 0.518 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 58 ALA 1.573 0.518 22 1 "[ . 1 . 2 + . 3 . 4 . 5]"
1 59 VAL 14.625 0.175 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 60 ALA 3.053 0.088 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 61 ALA 0.598 0.022 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 62 ALA 2.773 0.169 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 63 GLN 11.558 0.169 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 64 ARG 2.670 0.088 27 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 65 LEU 6.824 0.104 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 66 VAL 21.971 0.242 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 67 HIS 5.984 0.122 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 68 ALA 4.052 0.104 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 69 ILE 10.179 0.230 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 70 ALA 10.854 0.242 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 71 LEU 15.822 0.230 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 72 MET 12.117 0.183 10 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 73 THR 7.762 0.139 20 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 74 GLN 1.731 0.069 32 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 75 PHE 3.768 0.077 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 76 GLY 0.515 0.077 4 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 77 ARG 3.195 0.222 2 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 78 ALA 1.047 0.088 42 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . 5]"
1 80 SER 0.164 0.047 46 0 "[ . 1 . 2 . 3 . 4 . 5]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG HB2 1 3 ARG QD 3.720 . 3.720 2.529 2.102 3.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
2 1 3 ARG HB3 1 3 ARG QD 3.720 . 3.720 2.637 2.101 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
3 1 4 SER HA 1 5 PHE QD 5.100 . 5.100 3.995 3.166 5.134 0.034 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
4 1 4 SER QB 1 5 PHE H 4.630 . 4.630 2.824 1.915 3.966 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
5 1 4 SER QB 1 5 PHE QD 5.180 . 5.180 4.328 2.175 5.329 0.149 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
6 1 5 PHE H 1 5 PHE QD 5.380 . 5.380 3.025 2.124 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
7 1 5 PHE HA 1 5 PHE QD 3.880 . 3.880 3.655 2.497 3.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
8 1 5 PHE QB 1 6 SER H 4.330 . 4.330 2.828 2.025 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
9 1 5 PHE QB 1 10 VAL QG 4.200 . 4.200 3.057 2.200 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
10 1 5 PHE HB2 1 6 SER H 4.930 . 4.930 3.003 2.356 4.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
11 1 5 PHE HB3 1 6 SER H 4.930 . 4.930 3.864 2.046 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
12 1 5 PHE QD 1 6 SER H 5.190 . 5.190 3.702 3.050 4.837 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
13 1 5 PHE QD 1 7 LEU MD1 4.510 . 4.510 3.965 3.205 4.534 0.024 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
14 1 5 PHE QD 1 7 LEU MD2 4.740 . 4.740 2.863 2.093 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
15 1 5 PHE QD 1 10 VAL MG1 4.740 . 4.740 4.514 3.644 4.797 0.057 31 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
16 1 5 PHE QD 1 10 VAL QG 3.890 . 3.890 2.407 2.042 3.167 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
17 1 5 PHE QD 1 10 VAL MG2 4.740 . 4.740 2.421 2.045 3.232 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
18 1 5 PHE QD 1 13 MET ME 4.910 . 4.910 4.346 2.484 5.066 0.156 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
19 1 5 PHE QE 1 7 LEU MD1 4.670 . 4.670 3.000 2.240 4.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
20 1 5 PHE QE 1 7 LEU MD2 5.130 . 5.130 2.621 2.272 3.132 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
21 1 5 PHE QE 1 7 LEU HG 5.500 . 5.500 5.148 4.501 5.537 0.037 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
22 1 5 PHE QE 1 10 VAL QG 4.490 . 4.490 2.695 2.109 3.462 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
23 1 5 PHE QE 1 13 MET ME 5.500 . 5.500 5.143 3.344 5.640 0.140 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
24 1 6 SER H 1 9 GLU QB 4.860 . 4.860 3.468 1.889 4.906 0.046 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
25 1 6 SER HA 1 7 LEU HB2 4.860 . 4.860 4.192 3.856 4.543 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
26 1 6 SER HA 1 7 LEU HG 5.500 . 5.500 5.521 5.500 5.550 0.050 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
27 1 6 SER HA 1 8 GLY H 4.700 . 4.700 4.253 3.699 4.712 0.012 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
28 1 6 SER QB 1 7 LEU H 4.130 . 4.130 3.314 2.466 3.936 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
29 1 6 SER QB 1 7 LEU HB2 5.080 . 5.080 4.589 4.186 5.159 0.079 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
30 1 6 SER QB 1 7 LEU MD2 4.760 . 4.760 4.481 4.005 4.840 0.080 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
31 1 6 SER QB 1 9 GLU QB 4.950 . 4.950 3.592 2.045 4.976 0.026 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
32 1 6 SER HB2 1 7 LEU H 4.990 . 4.990 3.924 2.512 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
33 1 6 SER HB2 1 9 GLU QG 5.060 . 5.060 2.962 1.922 5.068 0.008 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
34 1 6 SER HB3 1 7 LEU H 4.990 . 4.990 3.758 2.517 4.640 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
35 1 6 SER HB3 1 9 GLU QG 5.060 . 5.060 3.602 1.898 5.064 0.004 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
36 1 7 LEU H 1 7 LEU HB2 3.870 . 3.870 2.661 2.046 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
37 1 7 LEU H 1 7 LEU HG 4.610 . 4.610 4.120 3.613 4.613 0.003 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
38 1 7 LEU H 1 8 GLY H 4.450 . 4.450 3.081 1.789 3.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
39 1 7 LEU HA 1 7 LEU MD1 2.730 . 2.730 2.216 2.112 2.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
40 1 7 LEU HA 1 7 LEU MD2 3.530 . 3.530 2.450 2.153 2.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
41 1 7 LEU HA 1 10 VAL H 4.340 . 4.340 3.331 2.986 3.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
42 1 7 LEU HA 1 10 VAL HB 3.930 . 3.930 3.047 2.377 3.754 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
43 1 7 LEU HA 1 10 VAL QG 3.330 . 3.330 2.630 2.165 3.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
44 1 7 LEU HB2 1 8 GLY H 4.110 . 4.110 2.989 2.486 3.588 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
45 1 7 LEU HB2 1 8 GLY HA2 5.500 . 5.500 4.773 4.461 5.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
46 1 7 LEU HB2 1 8 GLY HA3 5.500 . 5.500 4.985 4.653 5.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
47 1 7 LEU HB3 1 8 GLY H 4.120 . 4.120 3.457 2.828 3.964 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
48 1 7 LEU HB3 1 8 GLY QA 4.510 . 4.510 3.968 3.669 4.268 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
49 1 7 LEU MD1 1 8 GLY H 5.080 . 5.080 4.794 4.459 4.993 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
50 1 7 LEU MD2 1 8 GLY H 5.170 . 5.170 4.384 4.099 4.589 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
51 1 7 LEU MD2 1 10 VAL HB 4.960 . 4.960 4.791 4.197 5.022 0.062 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
52 1 8 GLY H 1 9 GLU H 3.950 . 3.950 2.549 2.267 2.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
53 1 8 GLY H 1 10 VAL H 5.010 . 5.010 4.059 3.817 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
54 1 9 GLU H 1 9 GLU HB2 3.740 . 3.740 2.533 2.258 3.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
55 1 9 GLU H 1 9 GLU QB 3.070 . 3.070 2.476 2.123 2.863 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
56 1 9 GLU H 1 9 GLU HB3 3.740 . 3.740 3.561 2.582 3.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
57 1 9 GLU H 1 9 GLU QG 4.090 . 4.090 2.200 1.805 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
58 1 9 GLU H 1 12 ASP QB 5.500 . 5.500 5.229 4.773 5.539 0.039 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
59 1 9 GLU HA 1 9 GLU QG 3.340 . 3.340 2.716 2.344 3.368 0.028 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
60 1 9 GLU HA 1 10 VAL HA 5.500 . 5.500 4.790 4.736 4.861 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
61 1 9 GLU HA 1 12 ASP H 3.950 . 3.950 3.382 3.026 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
62 1 9 GLU HA 1 12 ASP QB 3.970 . 3.970 2.872 2.297 3.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
63 1 9 GLU QB 1 10 VAL H 3.360 . 3.360 2.689 2.474 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
64 1 9 GLU QB 1 12 ASP QB 5.140 . 5.140 4.239 3.687 4.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
65 1 9 GLU HB2 1 10 VAL H 4.000 . 4.000 2.770 2.516 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
66 1 9 GLU HB3 1 10 VAL H 4.000 . 4.000 3.810 2.917 4.014 0.014 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
67 1 9 GLU QG 1 10 VAL H 5.050 . 5.050 4.024 3.314 4.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
68 1 10 VAL H 1 10 VAL HB 2.930 . 2.930 2.529 2.246 2.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
69 1 10 VAL H 1 10 VAL MG1 3.930 . 3.930 3.797 3.705 3.817 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
70 1 10 VAL H 1 10 VAL QG 2.840 . 2.840 2.126 1.958 2.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
71 1 10 VAL H 1 10 VAL MG2 3.930 . 3.930 2.138 1.964 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
72 1 10 VAL H 1 11 SER H 3.400 . 3.400 2.579 2.427 2.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
73 1 10 VAL H 1 13 MET ME 4.440 . 4.440 4.230 3.574 4.536 0.096 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
74 1 10 VAL HA 1 10 VAL MG1 2.990 . 2.990 2.416 2.322 2.697 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
75 1 10 VAL HA 1 10 VAL MG2 2.990 . 2.990 2.390 2.246 2.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
76 1 10 VAL HA 1 11 SER HA 5.500 . 5.500 4.779 4.701 4.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
77 1 10 VAL HA 1 12 ASP H 4.880 . 4.880 4.329 4.176 4.510 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
78 1 10 VAL HA 1 12 ASP QB 5.500 . 5.500 5.106 4.889 5.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
79 1 10 VAL HA 1 13 MET H 4.100 . 4.100 3.200 2.966 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
80 1 10 VAL HA 1 13 MET HA 5.500 . 5.500 4.952 4.626 5.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
81 1 10 VAL HA 1 13 MET QB 3.850 . 3.850 2.223 2.013 2.474 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
82 1 10 VAL HA 1 13 MET ME 3.790 . 3.790 2.222 1.972 2.667 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
83 1 10 VAL HA 1 13 MET HG2 5.260 . 5.260 4.569 3.873 5.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
84 1 10 VAL HA 1 13 MET QG 4.610 . 4.610 4.099 3.731 4.378 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
85 1 10 VAL HA 1 13 MET HG3 5.260 . 5.260 4.707 4.044 5.261 0.001 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
86 1 10 VAL HA 1 14 ALA H 4.780 . 4.780 4.160 3.804 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
87 1 10 VAL HB 1 11 SER H 3.630 . 3.630 2.881 2.636 3.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
88 1 10 VAL QG 1 11 SER H 4.320 . 4.320 3.382 3.160 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
89 1 10 VAL QG 1 11 SER HA 4.010 . 4.010 3.611 3.206 3.788 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
90 1 10 VAL QG 1 12 ASP H 5.440 . 5.440 4.686 4.598 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
91 1 10 VAL QG 1 13 MET H 4.850 . 4.850 4.223 4.055 4.348 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
92 1 10 VAL QG 1 13 MET QG 4.550 . 4.550 4.222 3.857 4.558 0.008 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
93 1 10 VAL QG 1 14 ALA H 4.380 . 4.380 4.040 3.743 4.406 0.026 34 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
94 1 10 VAL MG1 1 13 MET ME 3.430 . 3.430 2.972 2.146 3.789 0.359 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
95 1 10 VAL MG2 1 13 MET ME 3.430 . 3.430 2.590 2.194 3.113 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
96 1 11 SER H 1 11 SER HB2 3.650 . 3.650 2.539 2.415 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
97 1 11 SER H 1 11 SER HB3 3.650 . 3.650 3.564 2.542 3.624 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
98 1 11 SER H 1 12 ASP H 3.670 . 3.670 2.586 2.470 2.724 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
99 1 11 SER HA 1 14 ALA H 3.850 . 3.850 3.520 3.122 3.855 0.005 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
100 1 11 SER QB 1 14 ALA H 5.340 . 5.340 4.860 4.664 5.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
101 1 11 SER QB 1 14 ALA MB 5.340 . 5.340 4.317 3.772 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
102 1 11 SER HB2 1 12 ASP H 4.190 . 4.190 2.664 2.519 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
103 1 11 SER HB2 1 13 MET H 5.500 . 5.500 4.849 4.666 5.516 0.016 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
104 1 11 SER HB3 1 12 ASP H 4.190 . 4.190 3.713 2.547 3.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
105 1 11 SER HB3 1 13 MET H 5.500 . 5.500 5.494 4.787 5.534 0.034 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
106 1 12 ASP H 1 12 ASP QB 3.080 . 3.080 2.302 2.105 2.436 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
107 1 12 ASP HA 1 13 MET H 3.530 . 3.530 3.522 3.492 3.538 0.008 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
108 1 12 ASP HA 1 13 MET QB 5.410 . 5.410 5.161 5.113 5.244 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
109 1 12 ASP HA 1 14 ALA H 4.290 . 4.290 4.200 3.942 4.300 0.010 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
110 1 12 ASP HA 1 15 ALA H 4.030 . 4.030 3.259 3.041 3.483 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
111 1 12 ASP HA 1 15 ALA MB 3.490 . 3.490 2.764 2.370 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
112 1 12 ASP HA 1 16 VAL H 4.900 . 4.900 4.385 4.002 4.906 0.006 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
113 1 12 ASP HA 1 16 VAL QG 4.610 . 4.610 4.519 4.231 4.720 0.110 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
114 1 12 ASP QB 1 13 MET H 3.180 . 3.180 2.710 2.589 2.931 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
115 1 12 ASP QB 1 13 MET QB 5.500 . 5.500 4.042 3.813 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
116 1 12 ASP QB 1 14 ALA H 5.340 . 5.340 4.747 4.527 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
117 1 12 ASP QB 1 15 ALA H 5.020 . 5.020 4.725 4.521 4.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
118 1 12 ASP QB 1 15 ALA MB 4.410 . 4.410 4.082 3.764 4.453 0.043 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
119 1 12 ASP QB 1 16 VAL H 5.500 . 5.500 4.918 4.398 5.476 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
120 1 12 ASP QB 1 16 VAL QG 5.040 . 5.040 3.973 3.267 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
121 1 13 MET H 1 13 MET QB 2.930 . 2.930 2.162 2.034 2.248 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
122 1 13 MET H 1 13 MET ME 5.020 . 5.020 4.021 3.474 4.290 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
123 1 13 MET H 1 13 MET HG2 4.540 . 4.540 4.498 4.279 4.553 0.013 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
124 1 13 MET H 1 13 MET HG3 4.540 . 4.540 4.194 3.145 4.508 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
125 1 13 MET H 1 14 ALA MB 4.400 . 4.400 4.349 4.211 4.409 0.009 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
126 1 13 MET H 1 15 ALA H 4.240 . 4.240 4.061 3.900 4.240 0.000 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
127 1 13 MET H 1 16 VAL QG 4.610 . 4.610 4.283 4.121 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
128 1 13 MET HA 1 13 MET ME 4.900 . 4.900 4.266 3.952 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
129 1 13 MET HA 1 13 MET HG2 4.040 . 4.040 3.052 2.457 3.584 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
130 1 13 MET HA 1 13 MET QG 3.540 . 3.540 2.362 2.089 2.504 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
131 1 13 MET HA 1 13 MET HG3 4.040 . 4.040 2.473 2.130 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
132 1 13 MET HA 1 15 ALA H 4.370 . 4.370 4.151 3.982 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
133 1 13 MET HA 1 16 VAL H 3.670 . 3.670 3.324 3.005 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
134 1 13 MET HA 1 16 VAL QG 3.410 . 3.410 2.341 1.960 2.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
135 1 13 MET HA 1 17 GLU H 4.440 . 4.440 4.038 3.773 4.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
136 1 13 MET QB 1 14 ALA H 3.230 . 3.230 2.629 2.440 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
137 1 13 MET QB 1 14 ALA MB 4.120 . 4.120 3.850 3.673 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
138 1 13 MET QB 1 15 ALA H 5.050 . 5.050 4.615 4.506 4.765 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
139 1 13 MET ME 1 13 MET QG 3.480 . 3.480 2.477 2.378 2.638 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
140 1 13 MET QG 1 14 ALA H 4.500 . 4.500 4.035 3.695 4.505 0.005 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
141 1 13 MET QG 1 14 ALA HA 5.340 . 5.340 4.302 3.757 5.400 0.060 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
142 1 13 MET QG 1 16 VAL H 5.340 . 5.340 4.849 4.421 5.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
143 1 13 MET QG 1 16 VAL QG 4.100 . 4.100 3.382 3.017 3.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
144 1 14 ALA H 1 14 ALA MB 2.640 . 2.640 2.234 2.223 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
145 1 14 ALA H 1 15 ALA H 3.120 . 3.120 2.626 2.552 2.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
146 1 14 ALA H 1 16 VAL H 4.740 . 4.740 4.206 4.024 4.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
147 1 14 ALA H 1 16 VAL QG 4.700 . 4.700 4.578 4.291 4.867 0.167 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
148 1 15 ALA H 1 15 ALA HA 2.930 . 2.930 2.890 2.864 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
149 1 15 ALA H 1 15 ALA MB 2.400 . 2.400 2.254 2.229 2.271 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
150 1 15 ALA H 1 16 VAL H 3.070 . 3.070 2.576 2.424 2.735 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
151 1 15 ALA H 1 16 VAL HA 5.400 . 5.400 5.227 5.112 5.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
152 1 15 ALA H 1 16 VAL HB 5.450 . 5.450 4.884 4.619 5.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
153 1 15 ALA H 1 16 VAL QG 4.010 . 4.010 3.891 3.766 3.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
154 1 15 ALA H 1 17 GLU H 4.370 . 4.370 4.036 3.894 4.188 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
155 1 15 ALA H 1 17 GLU QB 5.320 . 5.320 4.804 4.494 5.051 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
156 1 15 ALA HA 1 16 VAL HA 5.500 . 5.500 4.771 4.693 4.841 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
157 1 15 ALA HA 1 18 ALA H 4.000 . 4.000 3.484 3.289 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
158 1 15 ALA MB 1 16 VAL H 2.910 . 2.910 2.570 2.426 2.710 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
159 1 15 ALA MB 1 16 VAL HB 5.180 . 5.180 4.376 3.740 4.836 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
160 1 15 ALA MB 1 16 VAL QG 3.640 . 3.640 3.431 3.085 3.852 0.212 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
161 1 16 VAL H 1 16 VAL HB 2.780 . 2.780 2.532 2.474 2.572 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
162 1 16 VAL H 1 16 VAL MG1 3.770 . 3.770 3.099 2.089 3.815 0.045 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
163 1 16 VAL H 1 16 VAL QG 2.690 . 2.690 2.117 2.054 2.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
164 1 16 VAL H 1 16 VAL MG2 3.770 . 3.770 2.822 2.063 3.797 0.027 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
165 1 16 VAL H 1 17 GLU H 2.970 . 2.970 2.612 2.528 2.723 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
166 1 16 VAL H 1 17 GLU QB 4.930 . 4.930 4.450 4.226 4.619 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
167 1 16 VAL H 1 18 ALA H 4.730 . 4.730 4.168 4.010 4.330 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
168 1 16 VAL HA 1 16 VAL MG1 3.330 . 3.330 2.761 2.384 3.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
169 1 16 VAL HA 1 16 VAL QG 2.720 . 2.720 2.184 2.143 2.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
170 1 16 VAL HA 1 16 VAL MG2 3.330 . 3.330 2.354 2.249 2.441 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
171 1 16 VAL HA 1 17 GLU HA 5.500 . 5.500 4.851 4.779 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
172 1 16 VAL HA 1 18 ALA H 4.710 . 4.710 4.375 4.117 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
173 1 16 VAL HA 1 19 ALA H 4.520 . 4.520 3.230 2.898 3.493 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
174 1 16 VAL HA 1 19 ALA HA 5.500 . 5.500 5.208 4.832 5.492 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
175 1 16 VAL HA 1 19 ALA MB 3.130 . 3.130 2.488 2.221 2.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
176 1 16 VAL HA 1 20 GLU H 4.670 . 4.670 3.986 3.809 4.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
177 1 16 VAL HA 1 20 GLU QG 5.230 . 5.230 4.417 3.885 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
178 1 16 VAL HA 1 23 MET ME 5.500 . 5.500 5.191 4.695 5.532 0.032 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
179 1 16 VAL HB 1 17 GLU H 3.930 . 3.930 3.147 2.485 3.979 0.049 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
180 1 16 VAL HB 1 19 ALA MB 5.500 . 5.500 4.751 4.167 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
181 1 16 VAL QG 1 17 GLU H 3.200 . 3.200 2.823 2.251 3.249 0.049 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
182 1 16 VAL QG 1 17 GLU HA 3.640 . 3.640 3.365 3.156 3.593 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
183 1 16 VAL QG 1 19 ALA MB 3.630 . 3.630 3.112 2.632 3.426 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
184 1 16 VAL QG 1 20 GLU H 4.050 . 4.050 3.701 3.405 3.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
185 1 16 VAL QG 1 20 GLU QB 4.130 . 4.130 3.793 3.099 4.276 0.146 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
186 1 16 VAL QG 1 20 GLU QG 3.810 . 3.810 2.810 2.166 3.760 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
187 1 16 VAL MG1 1 17 GLU H 3.800 . 3.800 2.972 2.268 3.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
188 1 16 VAL MG1 1 19 ALA H 5.500 . 5.500 4.734 4.512 5.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
189 1 16 VAL MG2 1 17 GLU H 3.800 . 3.800 3.824 3.754 3.906 0.106 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
190 1 16 VAL MG2 1 19 ALA H 5.500 . 5.500 4.813 4.168 5.237 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
191 1 17 GLU H 1 17 GLU HB2 3.570 . 3.570 2.319 2.070 2.407 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
192 1 17 GLU H 1 17 GLU QB 2.910 . 2.910 2.291 2.050 2.372 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
193 1 17 GLU H 1 17 GLU HB3 3.570 . 3.570 3.563 3.315 3.590 0.020 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
194 1 17 GLU H 1 17 GLU QG 3.310 . 3.310 2.605 2.294 3.325 0.015 5 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
195 1 17 GLU HA 1 17 GLU QG 3.370 . 3.370 2.363 2.091 2.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
196 1 17 GLU QB 1 18 ALA H 3.080 . 3.080 2.528 2.401 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
197 1 17 GLU QB 1 18 ALA MB 4.000 . 4.000 3.770 3.684 3.913 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
198 1 17 GLU HB2 1 18 ALA H 3.520 . 3.520 2.637 2.456 3.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
199 1 17 GLU HB2 1 18 ALA MB 4.770 . 4.770 4.094 3.906 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
200 1 17 GLU HB3 1 18 ALA H 3.520 . 3.520 3.323 2.731 3.524 0.004 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
201 1 17 GLU HB3 1 18 ALA MB 4.770 . 4.770 4.454 3.915 4.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
202 1 17 GLU QG 1 18 ALA H 4.590 . 4.590 4.264 4.105 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
203 1 17 GLU QG 1 21 LEU HG 5.500 . 5.500 5.083 3.730 5.554 0.054 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
204 1 18 ALA H 1 18 ALA MB 2.650 . 2.650 2.237 2.232 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
205 1 18 ALA H 1 19 ALA H 3.320 . 3.320 2.668 2.595 2.782 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
206 1 18 ALA H 1 21 LEU QD 4.260 . 4.260 4.181 3.933 4.289 0.029 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
207 1 18 ALA H 1 21 LEU HG 5.500 . 5.500 5.430 5.211 5.502 0.002 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
208 1 18 ALA HA 1 21 LEU H 3.900 . 3.900 3.575 3.427 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
209 1 18 ALA HA 1 21 LEU HB2 5.060 . 5.060 2.668 2.389 3.012 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
210 1 18 ALA HA 1 21 LEU QB 4.430 . 4.430 2.641 2.370 2.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
211 1 18 ALA HA 1 21 LEU HB3 5.060 . 5.060 4.236 3.958 4.621 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
212 1 18 ALA HA 1 21 LEU QD 4.440 . 4.440 2.374 2.144 2.580 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
213 1 18 ALA HA 1 21 LEU HG 4.990 . 4.990 3.945 3.661 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
214 1 18 ALA MB 1 21 LEU QD 3.880 . 3.880 3.666 3.495 3.858 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
215 1 18 ALA MB 1 22 GLU H 5.250 . 5.250 4.645 4.363 4.929 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
216 1 19 ALA H 1 19 ALA MB 2.680 . 2.680 2.235 2.204 2.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
217 1 19 ALA H 1 20 GLU H 3.230 . 3.230 2.723 2.579 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
218 1 19 ALA H 1 21 LEU QD 5.300 . 5.300 5.086 5.003 5.166 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
219 1 19 ALA H 1 22 GLU QG 4.830 . 4.830 4.613 4.419 4.877 0.047 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
220 1 19 ALA HA 1 22 GLU HB3 4.920 . 4.920 4.253 2.514 4.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
221 1 19 ALA HA 1 22 GLU QG 3.570 . 3.570 2.174 2.028 2.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
222 1 19 ALA HA 1 23 MET ME 4.130 . 4.130 3.878 3.337 4.159 0.029 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
223 1 19 ALA MB 1 20 GLU H 3.020 . 3.020 2.519 2.459 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
224 1 19 ALA MB 1 20 GLU QB 5.120 . 5.120 4.178 3.774 4.467 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
225 1 19 ALA MB 1 20 GLU QG 4.160 . 4.160 3.592 3.168 4.226 0.066 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
226 1 19 ALA MB 1 22 GLU H 5.500 . 5.500 4.654 4.452 4.779 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
227 1 19 ALA MB 1 22 GLU QG 3.880 . 3.880 3.602 3.408 3.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
228 1 19 ALA MB 1 23 MET ME 3.320 . 3.320 2.495 2.210 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
229 1 19 ALA MB 1 23 MET QG 5.340 . 5.340 4.050 3.241 5.026 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
230 1 20 GLU H 1 20 GLU QB 2.840 . 2.840 2.462 2.330 2.603 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
231 1 20 GLU H 1 20 GLU HG2 3.510 . 3.510 2.448 2.200 3.127 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
232 1 20 GLU H 1 20 GLU HG3 3.510 . 3.510 3.211 2.294 3.517 0.007 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
233 1 20 GLU H 1 21 LEU H 3.180 . 3.180 2.621 2.503 2.680 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
234 1 20 GLU H 1 21 LEU QB 4.610 . 4.610 4.518 4.367 4.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
235 1 20 GLU H 1 21 LEU HG 4.950 . 4.950 4.787 4.549 4.932 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
236 1 20 GLU H 1 23 MET ME 5.360 . 5.360 3.704 3.390 4.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
237 1 20 GLU HA 1 20 GLU HG2 3.970 . 3.970 2.981 2.334 3.851 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
238 1 20 GLU HA 1 20 GLU HG3 3.970 . 3.970 3.719 3.277 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
239 1 20 GLU HA 1 23 MET H 4.940 . 4.940 3.357 2.976 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
240 1 20 GLU HA 1 23 MET QB 3.460 . 3.460 2.564 2.023 3.529 0.069 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
241 1 20 GLU HA 1 23 MET ME 4.000 . 4.000 2.342 1.977 3.622 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
242 1 20 GLU HA 1 23 MET HG2 5.500 . 5.500 4.464 1.859 5.405 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
243 1 20 GLU HA 1 23 MET QG 4.790 . 4.790 3.581 1.851 4.186 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
244 1 20 GLU HA 1 23 MET HG3 5.500 . 5.500 4.159 3.468 5.412 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
245 1 20 GLU QB 1 21 LEU H 4.100 . 4.100 2.810 2.310 3.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
246 1 20 GLU QG 1 21 LEU H 3.970 . 3.970 3.494 2.414 4.013 0.043 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
247 1 20 GLU QG 1 21 LEU HG 5.340 . 5.340 4.484 2.735 5.344 0.004 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
248 1 20 GLU HG2 1 21 LEU H 4.580 . 4.580 3.928 2.638 4.620 0.040 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
249 1 20 GLU HG3 1 21 LEU H 4.580 . 4.580 3.937 2.646 4.620 0.040 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
250 1 21 LEU H 1 21 LEU HB2 3.630 . 3.630 2.344 2.262 2.438 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
251 1 21 LEU H 1 21 LEU QB 3.010 . 3.010 2.315 2.238 2.402 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
252 1 21 LEU H 1 21 LEU HB3 3.630 . 3.630 3.589 3.552 3.623 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
253 1 21 LEU H 1 21 LEU QD 3.650 . 3.650 3.243 3.098 3.338 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
254 1 21 LEU H 1 21 LEU HG 3.260 . 3.260 2.592 2.307 2.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
255 1 21 LEU H 1 22 GLU H 3.250 . 3.250 2.830 2.639 2.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
256 1 21 LEU HA 1 21 LEU QD 3.800 . 3.800 2.123 2.086 2.211 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
257 1 21 LEU QB 1 22 GLU H 3.390 . 3.390 2.608 2.524 2.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
258 1 21 LEU HB2 1 22 GLU H 4.080 . 4.080 2.699 2.614 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
259 1 21 LEU HB3 1 22 GLU H 4.080 . 4.080 3.460 3.330 3.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
260 1 21 LEU QD 1 22 GLU H 4.160 . 4.160 4.151 4.073 4.215 0.055 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
261 1 22 GLU H 1 22 GLU HB3 2.690 . 2.690 2.612 1.961 2.687 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
262 1 22 GLU H 1 22 GLU QG 3.290 . 3.290 2.441 2.238 3.311 0.021 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
263 1 22 GLU H 1 23 MET H 3.770 . 3.770 2.604 2.525 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
264 1 22 GLU HA 1 22 GLU HB2 2.870 . 2.870 2.321 2.208 2.375 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
265 1 22 GLU HA 1 26 GLN HE21 5.500 . 5.500 4.410 3.683 5.507 0.007 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
266 1 22 GLU HA 1 26 GLN QE 4.680 . 4.680 3.893 3.573 4.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
267 1 22 GLU HA 1 26 GLN HE22 5.500 . 5.500 4.781 3.821 5.500 0.000 6 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
268 1 22 GLU HB2 1 23 MET H 4.610 . 4.610 4.114 3.997 4.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
269 1 22 GLU HB2 1 26 GLN QE 4.410 . 4.410 2.966 2.234 4.412 0.002 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
270 1 22 GLU QG 1 26 GLN QE 3.780 . 3.780 3.000 2.272 3.785 0.005 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
271 1 23 MET H 1 23 MET ME 4.910 . 4.910 3.582 3.199 3.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
272 1 23 MET H 1 23 MET HG2 5.030 . 5.030 3.811 2.513 4.530 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
273 1 23 MET H 1 23 MET QG 4.400 . 4.400 2.981 2.470 4.039 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
274 1 23 MET H 1 23 MET HG3 5.030 . 5.030 3.273 2.586 4.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
275 1 23 MET H 1 24 THR H 5.020 . 5.020 2.624 2.529 2.761 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
276 1 23 MET HA 1 23 MET ME 5.120 . 5.120 4.333 3.355 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
277 1 23 MET HA 1 23 MET HG2 4.060 . 4.060 2.855 2.280 3.925 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
278 1 23 MET HA 1 23 MET HG3 4.060 . 4.060 2.921 2.257 3.741 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
279 1 23 MET HA 1 26 GLN H 4.360 . 4.360 3.277 3.000 3.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
280 1 23 MET HA 1 26 GLN HE21 5.120 . 5.120 3.236 2.256 4.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
281 1 23 MET HA 1 26 GLN QE 4.490 . 4.490 3.019 2.105 3.686 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
282 1 23 MET HA 1 26 GLN HE22 5.120 . 5.120 3.960 2.519 5.142 0.022 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
283 1 23 MET QB 1 24 THR H 3.560 . 3.560 2.796 2.542 3.567 0.007 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
284 1 23 MET QB 1 24 THR HA 4.390 . 4.390 3.933 3.610 4.457 0.067 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
285 1 23 MET QB 1 24 THR MG 5.500 . 5.500 5.175 4.856 5.694 0.194 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
286 1 23 MET ME 1 24 THR H 5.390 . 5.390 4.732 4.390 5.318 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
287 1 23 MET QG 1 27 VAL QG 4.160 . 4.160 3.870 2.628 4.452 0.292 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
288 1 24 THR H 1 24 THR HB 4.120 . 4.120 2.622 2.579 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
289 1 24 THR H 1 24 THR MG 3.820 . 3.820 3.777 3.727 3.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
290 1 24 THR H 1 25 ARG H 4.880 . 4.880 2.746 2.616 2.939 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
291 1 24 THR HA 1 24 THR MG 2.940 . 2.940 2.345 2.270 2.389 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
292 1 24 THR HA 1 27 VAL H 4.070 . 4.070 3.451 3.310 3.559 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
293 1 24 THR HA 1 27 VAL HB 4.830 . 4.830 4.025 2.005 4.874 0.044 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
294 1 24 THR HA 1 27 VAL MG1 4.640 . 4.640 3.496 2.960 3.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
295 1 24 THR HA 1 27 VAL QG 3.930 . 3.930 2.190 1.913 2.850 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
296 1 24 THR HA 1 27 VAL MG2 4.640 . 4.640 2.299 1.919 3.312 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
297 1 24 THR HA 1 28 LEU H 5.500 . 5.500 4.087 3.763 4.295 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
298 1 24 THR HB 1 25 ARG H 3.390 . 3.390 2.785 2.602 2.996 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
299 1 24 THR MG 1 25 ARG H 4.020 . 4.020 3.707 3.572 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
300 1 24 THR MG 1 27 VAL H 5.010 . 5.010 4.771 4.582 4.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
301 1 24 THR MG 1 27 VAL HB 5.500 . 5.500 4.899 3.259 5.552 0.052 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
302 1 24 THR MG 1 28 LEU H 4.540 . 4.540 4.135 3.746 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
303 1 24 THR MG 1 28 LEU QB 4.260 . 4.260 4.055 3.736 4.324 0.064 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
304 1 24 THR MG 1 28 LEU QD 2.970 . 2.970 2.372 2.150 2.716 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
305 1 25 ARG H 1 25 ARG QB 3.100 . 3.100 2.548 2.347 2.737 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
306 1 25 ARG H 1 25 ARG QD 4.460 . 4.460 3.803 3.130 4.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
307 1 25 ARG H 1 25 ARG HG2 3.940 . 3.940 2.912 1.934 3.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
308 1 25 ARG H 1 25 ARG QG 3.380 . 3.380 2.157 1.899 2.651 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
309 1 25 ARG H 1 25 ARG HG3 3.940 . 3.940 2.627 1.914 3.840 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
310 1 25 ARG H 1 27 VAL MG1 5.500 . 5.500 5.537 5.247 5.763 0.263 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
311 1 25 ARG H 1 27 VAL MG2 5.500 . 5.500 4.519 4.175 5.479 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
312 1 25 ARG HA 1 25 ARG QG 3.740 . 3.740 2.683 2.203 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
313 1 25 ARG HA 1 28 LEU QB 4.740 . 4.740 2.965 2.390 3.711 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
314 1 25 ARG HA 1 28 LEU QD 5.180 . 5.180 2.760 2.241 3.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
315 1 25 ARG QB 1 25 ARG QD 3.180 . 3.180 2.250 2.027 2.576 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
316 1 25 ARG QB 1 26 GLN H 4.240 . 4.240 2.605 2.274 3.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
317 1 25 ARG QG 1 26 GLN H 4.210 . 4.210 3.730 2.393 4.120 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
318 1 25 ARG HG2 1 26 GLN H 4.810 . 4.810 4.467 2.522 4.859 0.049 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
319 1 25 ARG HG3 1 26 GLN H 4.810 . 4.810 4.116 2.525 4.813 0.003 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
320 1 26 GLN H 1 26 GLN HB2 3.980 . 3.980 2.392 2.056 2.911 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
321 1 26 GLN H 1 26 GLN HB3 3.980 . 3.980 3.565 3.391 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
322 1 26 GLN H 1 26 GLN QG 3.670 . 3.670 2.806 1.896 3.685 0.015 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
323 1 26 GLN H 1 27 VAL H 3.770 . 3.770 2.698 2.372 2.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
324 1 26 GLN H 1 27 VAL MG1 5.500 . 5.500 4.755 4.173 5.521 0.021 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
325 1 26 GLN H 1 27 VAL QG 4.590 . 4.590 3.855 3.457 4.472 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
326 1 26 GLN H 1 27 VAL MG2 5.500 . 5.500 4.091 3.679 4.740 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
327 1 26 GLN HA 1 26 GLN HE21 5.500 . 5.500 4.419 3.876 4.959 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
328 1 26 GLN HA 1 26 GLN HE22 5.500 . 5.500 5.058 4.096 5.575 0.075 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
329 1 26 GLN QB 1 27 VAL H 2.870 . 2.870 2.629 2.472 2.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
330 1 26 GLN QB 1 27 VAL QG 3.820 . 3.820 3.164 2.864 3.549 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
331 1 26 GLN HE22 1 26 GLN QG 3.830 . 3.830 3.265 3.196 3.391 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
332 1 26 GLN QG 1 27 VAL H 4.500 . 4.500 4.230 3.387 4.555 0.055 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
333 1 27 VAL H 1 27 VAL MG1 3.880 . 3.880 2.729 2.276 3.671 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
334 1 27 VAL H 1 27 VAL QG 2.830 . 2.830 2.071 1.846 2.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
335 1 27 VAL H 1 27 VAL MG2 3.880 . 3.880 2.161 1.951 2.720 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
336 1 27 VAL H 1 30 ALA MB 4.940 . 4.940 4.700 4.281 5.058 0.118 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
337 1 27 VAL HA 1 27 VAL MG1 3.340 . 3.340 2.424 2.280 2.830 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
338 1 27 VAL HA 1 27 VAL QG 2.690 . 2.690 2.226 2.130 2.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
339 1 27 VAL HA 1 27 VAL MG2 3.340 . 3.340 2.948 2.202 3.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
340 1 27 VAL HA 1 28 LEU H 3.570 . 3.570 3.540 3.469 3.583 0.013 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
341 1 27 VAL HA 1 28 LEU QD 5.440 . 5.440 5.418 5.319 5.546 0.106 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
342 1 27 VAL HA 1 30 ALA MB 3.280 . 3.280 2.537 2.138 3.048 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
343 1 27 VAL HB 1 28 LEU H 3.760 . 3.760 3.508 2.735 3.824 0.064 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
344 1 27 VAL HB 1 28 LEU QD 4.610 . 4.610 4.580 4.341 4.754 0.144 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
345 1 27 VAL HB 1 28 LEU HG 5.160 . 5.160 4.582 3.815 5.160 0.000 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
346 1 27 VAL QG 1 28 LEU H 3.540 . 3.540 2.474 2.232 3.072 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
347 1 27 VAL QG 1 28 LEU HA 3.880 . 3.880 3.364 3.029 3.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
348 1 27 VAL QG 1 28 LEU HG 4.160 . 4.160 2.712 2.374 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
349 1 27 VAL MG1 1 28 LEU H 4.280 . 4.280 3.735 2.732 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
350 1 27 VAL MG2 1 28 LEU H 4.280 . 4.280 2.859 2.242 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
351 1 28 LEU H 1 28 LEU QB 3.180 . 3.180 2.321 2.166 2.396 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
352 1 28 LEU H 1 28 LEU MD1 4.140 . 4.140 3.591 3.429 3.783 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
353 1 28 LEU H 1 28 LEU QD 3.600 . 3.600 3.254 3.192 3.337 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
354 1 28 LEU H 1 28 LEU MD2 4.140 . 4.140 3.729 3.609 3.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
355 1 28 LEU H 1 28 LEU HG 3.570 . 3.570 2.588 2.451 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
356 1 28 LEU HA 1 28 LEU MD1 4.060 . 4.060 3.872 3.833 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
357 1 28 LEU HA 1 28 LEU QD 2.720 . 2.720 2.107 2.075 2.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
358 1 28 LEU HA 1 28 LEU MD2 4.060 . 4.060 2.117 2.084 2.157 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
359 1 28 LEU HA 1 28 LEU HG 3.790 . 3.790 2.932 2.670 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
360 1 28 LEU QB 1 28 LEU QD 2.510 . 2.510 1.934 1.914 1.945 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
361 1 28 LEU QB 1 29 HIS H 3.570 . 3.570 2.875 2.323 3.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
362 1 28 LEU QB 1 29 HIS HA 4.800 . 4.800 4.021 3.816 4.214 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
363 1 28 LEU QB 1 29 HIS HD2 5.030 . 5.030 3.744 2.740 5.054 0.024 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
364 1 28 LEU HB2 1 29 HIS H 4.080 . 4.080 2.986 2.381 3.448 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
365 1 28 LEU HB3 1 29 HIS H 4.080 . 4.080 3.765 3.240 4.091 0.011 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
366 1 29 HIS H 1 29 HIS HD2 4.330 . 4.330 3.641 2.854 4.353 0.023 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
367 1 29 HIS QB 1 30 ALA MB 4.130 . 4.130 3.934 3.598 4.201 0.071 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
368 1 30 ALA MB 1 31 GLY H 4.330 . 4.330 2.789 1.720 3.743 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
369 1 31 GLY H 1 32 ALA H 5.200 . 5.200 3.826 2.000 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
370 1 32 ALA H 1 32 ALA MB 3.090 . 3.090 2.610 2.193 3.019 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
371 1 32 ALA H 1 33 ARG H 4.200 . 4.200 3.954 2.149 4.272 0.072 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
372 1 32 ALA HA 1 33 ARG H 3.140 . 3.140 2.484 1.844 3.212 0.072 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
373 1 32 ALA MB 1 33 ARG H 3.570 . 3.570 2.726 1.712 3.695 0.125 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
374 1 32 ALA MB 1 33 ARG QD 4.670 . 4.670 4.545 3.750 5.054 0.384 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
375 1 33 ARG H 1 33 ARG HB2 3.750 . 3.750 2.881 2.056 3.834 0.084 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
376 1 33 ARG H 1 33 ARG HB3 3.750 . 3.750 3.493 2.417 3.913 0.163 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
377 1 33 ARG H 1 33 ARG QD 4.940 . 4.940 3.472 2.021 4.888 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
378 1 33 ARG H 1 33 ARG QG 3.820 . 3.820 2.929 1.798 3.879 0.059 29 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
379 1 33 ARG H 1 34 GLN H 5.100 . 5.100 4.058 2.113 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
380 1 33 ARG HA 1 34 GLN H 3.520 . 3.520 2.727 2.090 3.539 0.019 14 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
381 1 33 ARG QB 1 33 ARG QD 3.500 . 3.500 2.272 1.959 2.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
382 1 33 ARG QB 1 35 ASP H 4.290 . 4.290 2.651 2.194 3.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
383 1 33 ARG QB 1 36 ASP H 5.340 . 5.340 4.578 3.270 5.351 0.011 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
384 1 33 ARG HB2 1 35 ASP H 4.990 . 4.990 3.348 2.250 4.927 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
385 1 33 ARG HB3 1 35 ASP H 4.990 . 4.990 3.181 2.223 4.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
386 1 33 ARG QG 1 35 ASP H 5.150 . 5.150 3.990 1.771 4.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
387 1 34 GLN H 1 34 GLN QG 4.850 . 4.850 3.255 1.953 4.374 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
388 1 34 GLN HA 1 34 GLN QG 3.570 . 3.570 2.684 2.267 3.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
389 1 34 GLN HA 1 35 ASP H 2.960 . 2.960 2.865 2.427 3.001 0.041 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
390 1 34 GLN HA 1 36 ASP H 4.700 . 4.700 3.646 3.015 4.716 0.016 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
391 1 34 GLN QB 1 36 ASP H 5.040 . 5.040 4.502 3.256 5.067 0.027 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
392 1 34 GLN QB 1 37 ALA H 5.340 . 5.340 4.185 2.532 5.392 0.052 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
393 1 34 GLN HB2 1 35 ASP H 4.700 . 4.700 4.338 3.985 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
394 1 34 GLN HB3 1 35 ASP H 4.700 . 4.700 4.367 3.982 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
395 1 34 GLN QG 1 35 ASP H 4.750 . 4.750 4.305 3.348 4.748 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
396 1 34 GLN QG 1 36 ASP H 5.310 . 5.310 4.907 2.357 5.400 0.090 17 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
397 1 34 GLN QG 1 37 ALA MB 4.990 . 4.990 3.353 2.022 5.064 0.074 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
398 1 35 ASP H 1 35 ASP HB2 3.660 . 3.660 2.522 2.024 3.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
399 1 35 ASP H 1 35 ASP QB 3.120 . 3.120 2.448 2.002 2.997 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
400 1 35 ASP H 1 35 ASP HB3 3.660 . 3.660 3.411 2.549 3.791 0.131 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
401 1 35 ASP H 1 36 ASP H 3.730 . 3.730 2.749 2.117 3.773 0.043 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
402 1 35 ASP HA 1 36 ASP H 3.510 . 3.510 3.480 2.917 3.541 0.031 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
403 1 35 ASP QB 1 36 ASP H 3.460 . 3.460 2.700 2.094 3.552 0.092 37 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
404 1 36 ASP H 1 36 ASP QB 3.490 . 3.490 2.663 2.240 3.433 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
405 1 36 ASP H 1 37 ALA H 3.290 . 3.290 2.695 1.826 3.383 0.093 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
406 1 36 ASP H 1 37 ALA MB 4.360 . 4.360 3.817 3.086 4.466 0.106 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
407 1 36 ASP HA 1 37 ALA H 3.020 . 3.020 2.807 2.189 3.183 0.163 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
408 1 36 ASP HA 1 37 ALA MB 4.890 . 4.890 4.461 3.773 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
409 1 36 ASP QB 1 37 ALA H 4.130 . 4.130 3.833 1.829 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
410 1 36 ASP QB 1 38 GLU H 4.730 . 4.730 4.421 2.906 4.802 0.072 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
411 1 36 ASP HB2 1 37 ALA H 4.710 . 4.710 4.325 1.841 4.641 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
412 1 36 ASP HB3 1 37 ALA H 4.710 . 4.710 4.340 3.157 4.592 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
413 1 37 ALA H 1 37 ALA MB 2.690 . 2.690 2.480 2.227 2.764 0.074 33 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
414 1 37 ALA H 1 38 GLU H 3.240 . 3.240 2.940 2.268 3.265 0.025 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
415 1 37 ALA H 1 38 GLU QB 5.010 . 5.010 4.736 3.571 5.049 0.039 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
416 1 37 ALA H 1 38 GLU QG 5.030 . 5.030 4.159 3.046 5.055 0.025 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
417 1 37 ALA HA 1 38 GLU H 3.010 . 3.010 2.797 2.559 3.038 0.028 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
418 1 37 ALA MB 1 38 GLU H 3.770 . 3.770 3.703 3.472 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
419 1 37 ALA MB 1 38 GLU HA 5.210 . 5.210 4.312 4.109 4.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
420 1 38 GLU H 1 38 GLU QB 2.810 . 2.810 2.402 2.139 2.824 0.014 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
421 1 38 GLU H 1 38 GLU QG 3.400 . 3.400 2.512 2.155 3.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
422 1 38 GLU H 1 39 PRO HD2 5.090 . 5.090 5.037 3.675 5.100 0.010 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
423 1 38 GLU H 1 39 PRO HD3 5.090 . 5.090 5.015 2.939 5.162 0.072 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
424 1 38 GLU HA 1 38 GLU QG 3.850 . 3.850 2.653 2.115 3.400 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
425 1 38 GLU HA 1 39 PRO HD2 3.270 . 3.270 2.522 2.048 2.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
426 1 38 GLU HA 1 39 PRO HD3 3.270 . 3.270 2.366 2.223 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
427 1 38 GLU HA 1 39 PRO HG2 5.130 . 5.130 4.612 4.365 4.827 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
428 1 38 GLU HA 1 39 PRO QG 4.440 . 4.440 4.092 3.974 4.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
429 1 38 GLU HA 1 39 PRO HG3 5.130 . 5.130 4.577 4.465 4.725 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
430 1 38 GLU QB 1 39 PRO QD 3.380 . 3.380 2.487 1.982 3.488 0.108 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
431 1 38 GLU HB2 1 39 PRO HD2 5.020 . 5.020 3.595 2.013 4.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
432 1 38 GLU HB2 1 39 PRO HD3 5.020 . 5.020 4.507 3.199 5.034 0.014 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
433 1 38 GLU HB3 1 39 PRO HD2 5.020 . 5.020 3.023 2.148 4.258 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
434 1 38 GLU HB3 1 39 PRO HD3 5.020 . 5.020 4.079 3.440 4.618 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
435 1 38 GLU QG 1 39 PRO HD2 4.740 . 4.740 3.620 2.852 4.781 0.041 50 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
436 1 38 GLU QG 1 39 PRO QD 4.150 . 4.150 3.430 2.764 4.044 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
437 1 38 GLU QG 1 39 PRO HD3 4.740 . 4.740 4.287 3.609 4.766 0.026 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
438 1 39 PRO HB2 1 40 GLY H 4.530 . 4.530 3.344 2.433 4.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
439 1 39 PRO HB3 1 40 GLY H 4.530 . 4.530 4.020 3.401 4.577 0.047 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
440 1 39 PRO QD 1 40 GLY H 4.910 . 4.910 4.253 2.566 4.993 0.083 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
441 1 39 PRO QG 1 40 GLY H 4.580 . 4.580 3.927 2.488 4.625 0.045 3 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
442 1 40 GLY H 1 41 VAL H 4.190 . 4.190 3.593 1.922 4.264 0.074 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
443 1 40 GLY QA 1 41 VAL H 2.710 . 2.710 2.409 2.090 2.892 0.182 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
444 1 40 GLY QA 1 41 VAL QG 4.520 . 4.520 3.587 3.046 4.182 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
445 1 41 VAL H 1 41 VAL HB 3.090 . 3.090 2.635 2.366 3.221 0.131 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
446 1 41 VAL H 1 41 VAL MG1 3.910 . 3.910 3.067 1.889 3.952 0.042 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
447 1 41 VAL H 1 41 VAL QG 2.900 . 2.900 2.199 1.885 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
448 1 41 VAL H 1 41 VAL MG2 3.910 . 3.910 2.980 1.926 3.953 0.043 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
449 1 41 VAL HA 1 41 VAL MG1 3.570 . 3.570 2.798 2.351 3.283 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
450 1 41 VAL HA 1 41 VAL QG 3.080 . 3.080 2.216 2.116 2.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
451 1 41 VAL HA 1 41 VAL MG2 3.570 . 3.570 2.389 2.282 2.499 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
452 1 41 VAL QG 1 42 SER H 5.190 . 5.190 2.830 2.112 3.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
453 1 43 GLY QA 1 44 ALA MB 5.080 . 5.080 3.870 3.590 4.304 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
454 1 44 ALA MB 1 45 SER H 4.130 . 4.130 2.859 1.852 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
455 1 45 SER HA 1 46 ALA H 3.510 . 3.510 2.560 2.120 3.533 0.023 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
456 1 45 SER HB2 1 46 ALA H 5.260 . 5.260 3.793 2.106 4.685 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
457 1 45 SER HB3 1 46 ALA H 5.260 . 5.260 3.643 1.937 4.537 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
458 1 46 ALA H 1 46 ALA MB 3.400 . 3.400 2.522 2.157 2.972 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
459 1 46 ALA HA 1 47 HIS HB2 5.500 . 5.500 4.563 4.141 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
460 1 46 ALA HA 1 47 HIS QB 4.680 . 4.680 4.186 4.007 4.698 0.018 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
461 1 46 ALA HA 1 47 HIS HB3 5.500 . 5.500 4.965 4.604 5.556 0.056 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
462 1 46 ALA MB 1 47 HIS H 4.460 . 4.460 2.915 2.240 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
463 1 46 ALA MB 1 50 GLN HB2 5.020 . 5.020 4.883 4.427 5.062 0.042 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
464 1 46 ALA MB 1 50 GLN HB3 5.500 . 5.500 5.328 4.791 5.629 0.129 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
465 1 46 ALA MB 1 50 GLN HE21 5.090 . 5.090 3.623 2.520 4.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
466 1 46 ALA MB 1 50 GLN QE 4.320 . 4.320 3.527 2.495 4.063 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
467 1 46 ALA MB 1 50 GLN HE22 5.090 . 5.090 4.899 3.903 5.255 0.165 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
468 1 46 ALA MB 1 50 GLN QG 4.130 . 4.130 2.842 2.386 3.267 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
469 1 46 ALA MB 1 51 ARG H 5.500 . 5.500 5.414 5.048 5.566 0.066 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
470 1 47 HIS HA 1 49 GLY H 5.350 . 5.350 4.415 4.262 4.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
471 1 47 HIS HA 1 50 GLN H 4.820 . 4.820 3.869 3.331 4.180 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
472 1 47 HIS HA 1 50 GLN HB2 5.040 . 5.040 3.990 2.670 4.963 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
473 1 47 HIS HA 1 50 GLN QG 4.740 . 4.740 3.124 2.461 3.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
474 1 47 HIS QB 1 48 TRP HE1 5.340 . 5.340 4.341 3.730 5.277 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
475 1 47 HIS QB 1 49 GLY H 5.090 . 5.090 4.152 3.748 4.733 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
476 1 47 HIS QB 1 50 GLN H 5.340 . 5.340 4.992 4.789 5.155 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
477 1 47 HIS HB2 1 48 TRP H 4.020 . 4.020 3.180 1.829 3.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
478 1 47 HIS HB2 1 50 GLN QG 5.500 . 5.500 5.333 4.544 5.564 0.064 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
479 1 47 HIS HB3 1 48 TRP H 4.020 . 4.020 2.293 1.874 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
480 1 47 HIS HB3 1 50 GLN QG 5.500 . 5.500 5.447 5.217 5.560 0.060 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
481 1 47 HIS HD2 1 48 TRP H 5.500 . 5.500 3.841 2.797 5.504 0.004 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
482 1 48 TRP H 1 48 TRP QB 3.370 . 3.370 2.546 2.185 2.714 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
483 1 48 TRP H 1 48 TRP HD1 3.800 . 3.800 3.688 2.920 3.878 0.078 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
484 1 48 TRP H 1 48 TRP HE1 5.190 . 5.190 4.676 4.338 5.197 0.007 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
485 1 48 TRP H 1 48 TRP HE3 4.790 . 4.790 3.240 2.671 4.835 0.045 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
486 1 48 TRP H 1 49 GLY H 4.110 . 4.110 2.637 2.317 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
487 1 48 TRP H 1 49 GLY QA 4.840 . 4.840 4.519 4.216 4.692 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
488 1 48 TRP H 1 50 GLN H 5.170 . 5.170 4.289 4.095 4.370 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
489 1 48 TRP HA 1 48 TRP HE1 5.100 . 5.100 5.082 4.931 5.196 0.096 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
490 1 48 TRP HA 1 48 TRP HE3 5.180 . 5.180 4.426 1.991 5.108 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
491 1 48 TRP QB 1 48 TRP HE1 4.730 . 4.730 4.487 4.366 4.548 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
492 1 48 TRP QB 1 49 GLY H 4.450 . 4.450 2.787 2.513 2.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
493 1 48 TRP HE3 1 49 GLY H 5.170 . 5.170 3.925 3.169 5.225 0.055 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
494 1 48 TRP HE3 1 49 GLY QA 5.430 . 5.430 4.964 4.330 5.479 0.049 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
495 1 49 GLY H 1 50 GLN H 3.660 . 3.660 2.733 2.541 2.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
496 1 49 GLY H 1 51 ARG H 4.870 . 4.870 4.315 3.999 4.668 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
497 1 49 GLY H 1 52 ALA MB 5.110 . 5.110 4.738 4.448 5.124 0.014 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
498 1 49 GLY QA 1 50 GLN H 3.530 . 3.530 2.843 2.796 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
499 1 49 GLY QA 1 50 GLN HB2 5.120 . 5.120 5.002 4.928 5.043 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
500 1 49 GLY QA 1 50 GLN QG 4.830 . 4.830 4.009 3.824 4.144 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
501 1 49 GLY QA 1 51 ARG H 4.600 . 4.600 3.990 3.706 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
502 1 49 GLY QA 1 52 ALA H 4.170 . 4.170 3.197 2.870 3.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
503 1 49 GLY QA 1 52 ALA MB 3.600 . 3.600 2.475 2.204 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
504 1 49 GLY QA 1 53 LEU H 4.620 . 4.620 3.839 3.570 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
505 1 50 GLN H 1 50 GLN HB2 3.400 . 3.400 2.520 2.406 2.581 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
506 1 50 GLN H 1 50 GLN HB3 3.590 . 3.590 3.596 3.577 3.628 0.038 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
507 1 50 GLN H 1 50 GLN QG 3.540 . 3.540 2.103 1.984 2.332 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
508 1 50 GLN H 1 51 ARG H 3.640 . 3.640 2.621 2.482 2.849 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
509 1 50 GLN H 1 51 ARG QB 4.970 . 4.970 4.755 4.591 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
510 1 50 GLN H 1 52 ALA H 4.540 . 4.540 4.001 3.831 4.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
511 1 50 GLN H 1 53 LEU QD 5.100 . 5.100 4.256 3.920 4.511 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
512 1 50 GLN HA 1 50 GLN QE 5.230 . 5.230 4.476 3.350 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
513 1 50 GLN HA 1 50 GLN QG 3.190 . 3.190 2.526 2.359 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
514 1 50 GLN HA 1 53 LEU H 4.300 . 4.300 3.349 3.089 3.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
515 1 50 GLN HA 1 53 LEU QB 4.560 . 4.560 3.258 2.819 3.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
516 1 50 GLN HA 1 53 LEU QD 4.430 . 4.430 2.076 1.925 2.292 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
517 1 50 GLN HA 1 53 LEU HG 4.500 . 4.500 2.824 2.236 3.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
518 1 50 GLN HA 1 54 GLN H 5.090 . 5.090 4.091 3.641 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
519 1 50 GLN HB2 1 51 ARG H 3.590 . 3.590 2.607 2.235 2.803 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
520 1 50 GLN HB2 1 51 ARG QD 4.520 . 4.520 3.650 3.334 4.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
521 1 50 GLN HB2 1 51 ARG QG 4.300 . 4.300 3.305 2.775 3.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
522 1 50 GLN HB2 1 52 ALA H 5.500 . 5.500 4.886 4.659 5.015 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
523 1 50 GLN HB2 1 53 LEU QD 4.710 . 4.710 4.482 4.225 4.734 0.024 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
524 1 50 GLN HB3 1 51 ARG H 4.160 . 4.160 3.718 3.501 3.875 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
525 1 50 GLN HB3 1 51 ARG QD 4.760 . 4.760 4.103 3.769 4.517 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
526 1 50 GLN QE 1 50 GLN QG 2.870 . 2.870 2.167 2.097 2.235 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
527 1 50 GLN QE 1 53 LEU QD 4.840 . 4.840 4.292 2.413 5.072 0.232 45 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
528 1 50 GLN HE22 1 50 GLN QG 3.390 . 3.390 3.228 3.198 3.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
529 1 50 GLN QG 1 51 ARG H 4.290 . 4.290 3.955 3.733 4.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
530 1 50 GLN QG 1 51 ARG QD 5.340 . 5.340 5.321 5.073 5.420 0.080 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
531 1 50 GLN QG 1 52 ALA H 5.500 . 5.500 5.478 5.343 5.558 0.058 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
532 1 50 GLN QG 1 53 LEU H 5.500 . 5.500 5.372 5.091 5.556 0.056 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
533 1 50 GLN QG 1 53 LEU QD 4.140 . 4.140 3.221 2.652 3.876 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
534 1 51 ARG H 1 51 ARG QB 3.170 . 3.170 2.505 2.414 2.578 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
535 1 51 ARG H 1 51 ARG QD 4.420 . 4.420 3.287 3.110 3.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
536 1 51 ARG H 1 51 ARG HG2 4.030 . 4.030 2.210 1.928 2.464 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
537 1 51 ARG H 1 51 ARG QG 3.300 . 3.300 2.193 1.919 2.437 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
538 1 51 ARG H 1 51 ARG HG3 4.030 . 4.030 3.679 3.482 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
539 1 51 ARG H 1 52 ALA H 3.370 . 3.370 2.533 2.374 2.658 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
540 1 51 ARG H 1 53 LEU H 4.610 . 4.610 4.145 3.963 4.301 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
541 1 51 ARG HA 1 51 ARG HD2 3.880 . 3.880 2.774 2.064 3.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
542 1 51 ARG HA 1 51 ARG QD 3.400 . 3.400 2.093 1.976 2.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
543 1 51 ARG HA 1 51 ARG HD3 3.880 . 3.880 2.311 1.992 3.812 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
544 1 51 ARG HA 1 51 ARG HG2 3.790 . 3.790 3.194 3.104 3.246 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
545 1 51 ARG HA 1 51 ARG QG 3.010 . 3.010 3.032 2.975 3.064 0.054 48 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
546 1 51 ARG HA 1 51 ARG HG3 3.790 . 3.790 3.777 3.721 3.816 0.026 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
547 1 51 ARG HA 1 54 GLN H 3.860 . 3.860 3.414 3.159 3.774 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
548 1 51 ARG QB 1 51 ARG QD 3.270 . 3.270 2.445 2.311 2.974 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
549 1 51 ARG QB 1 52 ALA H 3.330 . 3.330 2.696 2.535 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
550 1 51 ARG QB 1 53 LEU H 5.260 . 5.260 4.861 4.776 4.969 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
551 1 51 ARG QB 1 54 GLN H 5.120 . 5.120 4.875 4.683 5.121 0.001 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
552 1 51 ARG QD 1 52 ALA H 5.040 . 5.040 4.782 4.709 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
553 1 51 ARG QD 1 54 GLN QB 5.120 . 5.120 3.980 3.454 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
554 1 51 ARG QG 1 52 ALA H 4.410 . 4.410 4.031 3.859 4.220 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
555 1 52 ALA H 1 52 ALA MB 2.750 . 2.750 2.242 2.220 2.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
556 1 52 ALA H 1 53 LEU H 3.300 . 3.300 2.682 2.553 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
557 1 52 ALA H 1 53 LEU QB 5.340 . 5.340 4.595 4.450 4.793 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
558 1 52 ALA H 1 53 LEU QD 4.950 . 4.950 4.932 4.708 5.027 0.077 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
559 1 52 ALA H 1 54 GLN H 4.200 . 4.200 4.108 3.981 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
560 1 52 ALA H 1 54 GLN QB 5.500 . 5.500 5.164 4.902 5.544 0.044 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
561 1 52 ALA H 1 55 GLY H 5.500 . 5.500 4.866 4.604 5.118 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
562 1 52 ALA HA 1 55 GLY H 4.210 . 4.210 3.486 3.262 3.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
563 1 52 ALA MB 1 53 LEU H 3.050 . 3.050 2.517 2.434 2.703 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
564 1 52 ALA MB 1 54 GLN H 4.510 . 4.510 4.530 4.491 4.565 0.055 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
565 1 53 LEU H 1 53 LEU HB2 3.730 . 3.730 3.516 3.461 3.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
566 1 53 LEU H 1 53 LEU QB 3.040 . 3.040 2.188 2.118 2.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
567 1 53 LEU H 1 53 LEU HB3 3.730 . 3.730 2.210 2.137 2.377 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
568 1 53 LEU H 1 53 LEU MD1 4.230 . 4.230 4.233 4.115 4.274 0.044 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
569 1 53 LEU H 1 53 LEU QD 3.270 . 3.270 3.292 3.147 3.343 0.073 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
570 1 53 LEU H 1 53 LEU MD2 4.230 . 4.230 3.432 3.266 3.497 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
571 1 53 LEU H 1 53 LEU HG 3.180 . 3.180 3.112 2.816 3.192 0.012 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
572 1 53 LEU H 1 54 GLN H 3.220 . 3.220 2.707 2.622 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
573 1 53 LEU H 1 54 GLN HA 5.340 . 5.340 5.311 5.250 5.345 0.005 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
574 1 53 LEU H 1 54 GLN QB 4.770 . 4.770 4.717 4.613 4.784 0.014 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
575 1 53 LEU H 1 54 GLN QG 5.080 . 5.080 4.522 4.213 4.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
576 1 53 LEU H 1 55 GLY H 4.580 . 4.580 4.126 3.978 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
577 1 53 LEU H 1 56 ALA H 5.040 . 5.040 4.632 4.531 4.762 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
578 1 53 LEU HA 1 53 LEU QD 3.500 . 3.500 3.282 3.237 3.380 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
579 1 53 LEU HA 1 55 GLY H 4.450 . 4.450 4.061 3.915 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
580 1 53 LEU HA 1 56 ALA H 4.580 . 4.580 2.975 2.822 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
581 1 53 LEU HA 1 56 ALA MB 4.380 . 4.380 2.259 2.024 2.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
582 1 53 LEU HA 1 57 GLN QE 5.070 . 5.070 4.620 3.528 5.085 0.015 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
583 1 53 LEU QB 1 53 LEU QD 2.540 . 2.540 1.871 1.859 1.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
584 1 53 LEU QB 1 54 GLN H 3.570 . 3.570 3.517 3.469 3.580 0.010 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
585 1 53 LEU QB 1 55 GLY H 5.340 . 5.340 5.018 4.938 5.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
586 1 53 LEU QB 1 57 GLN QE 4.190 . 4.190 3.660 3.191 4.164 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
587 1 53 LEU HB2 1 54 GLN H 4.270 . 4.270 4.228 4.126 4.276 0.006 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
588 1 53 LEU HB3 1 54 GLN H 4.270 . 4.270 3.762 3.686 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
589 1 53 LEU QD 1 54 GLN H 3.490 . 3.490 3.182 3.029 3.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
590 1 53 LEU QD 1 54 GLN QG 5.280 . 5.280 3.383 2.747 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
591 1 53 LEU QD 1 55 GLY H 5.210 . 5.210 4.677 4.587 4.751 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
592 1 53 LEU QD 1 57 GLN QE 3.520 . 3.520 2.310 2.081 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
593 1 53 LEU QD 1 57 GLN HG2 5.440 . 5.440 2.560 2.191 4.324 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
594 1 53 LEU QD 1 57 GLN HG3 4.980 . 4.980 2.745 2.288 3.574 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
595 1 53 LEU MD1 1 54 GLN H 3.990 . 3.990 3.334 3.135 3.498 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
596 1 53 LEU MD1 1 57 GLN HE21 5.500 . 5.500 2.375 2.104 3.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
597 1 53 LEU MD1 1 57 GLN HE22 5.500 . 5.500 3.532 2.798 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
598 1 53 LEU MD2 1 54 GLN H 3.990 . 3.990 4.029 3.995 4.087 0.097 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
599 1 53 LEU MD2 1 57 GLN HE21 5.500 . 5.500 4.490 4.259 5.073 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
600 1 53 LEU MD2 1 57 GLN HE22 5.500 . 5.500 5.489 4.785 5.589 0.089 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
601 1 53 LEU HG 1 54 GLN H 3.440 . 3.440 2.456 2.349 2.569 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
602 1 53 LEU HG 1 54 GLN QG 5.280 . 5.280 3.189 2.577 4.796 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
603 1 53 LEU HG 1 55 GLY H 5.050 . 5.050 4.980 4.775 5.057 0.007 41 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
604 1 54 GLN H 1 54 GLN QB 2.890 . 2.890 2.391 2.301 2.487 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
605 1 54 GLN H 1 54 GLN QE 4.980 . 4.980 4.962 4.143 5.062 0.082 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
606 1 54 GLN H 1 54 GLN QG 3.170 . 3.170 2.412 2.209 2.731 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
607 1 54 GLN H 1 55 GLY H 3.450 . 3.450 2.676 2.511 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
608 1 54 GLN H 1 55 GLY HA3 5.210 . 5.210 4.977 4.801 5.080 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
609 1 54 GLN H 1 56 ALA H 4.770 . 4.770 4.130 3.958 4.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
610 1 54 GLN H 1 56 ALA MB 5.190 . 5.190 4.710 4.596 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
611 1 54 GLN HA 1 54 GLN QE 4.120 . 4.120 3.963 3.102 4.167 0.047 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
612 1 54 GLN HA 1 54 GLN HG2 3.910 . 3.910 2.797 2.287 3.908 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
613 1 54 GLN HA 1 54 GLN QG 3.410 . 3.410 2.615 2.251 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
614 1 54 GLN HA 1 54 GLN HG3 3.910 . 3.910 3.277 2.869 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
615 1 54 GLN HA 1 55 GLY H 3.510 . 3.510 3.526 3.511 3.542 0.032 23 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
616 1 54 GLN QB 1 54 GLN HE21 4.230 . 4.230 2.776 1.793 3.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
617 1 54 GLN QB 1 54 GLN QE 3.500 . 3.500 2.671 1.783 3.257 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
618 1 54 GLN QB 1 54 GLN HE22 4.230 . 4.230 3.629 3.152 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
619 1 54 GLN QB 1 55 GLY H 3.640 . 3.640 2.904 2.615 3.672 0.032 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
620 1 54 GLN QB 1 56 ALA H 5.210 . 5.210 4.869 4.702 5.226 0.016 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
621 1 54 GLN QE 1 54 GLN QG 3.060 . 3.060 2.210 1.994 2.809 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
622 1 54 GLN HG2 1 55 GLY H 5.110 . 5.110 4.517 2.614 5.111 0.001 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
623 1 54 GLN HG3 1 55 GLY H 5.110 . 5.110 4.325 2.921 5.149 0.039 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
624 1 55 GLY H 1 56 ALA H 3.780 . 3.780 2.528 2.282 2.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
625 1 55 GLY H 1 56 ALA MB 4.180 . 4.180 4.172 3.974 4.231 0.051 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
626 1 55 GLY H 1 57 GLN H 4.630 . 4.630 4.056 3.940 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
627 1 55 GLY H 1 58 ALA H 5.080 . 5.080 4.861 4.730 5.082 0.002 30 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
628 1 55 GLY H 1 59 VAL MG1 5.500 . 5.500 5.572 5.524 5.666 0.166 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
629 1 55 GLY HA2 1 57 GLN H 4.310 . 4.310 4.293 4.013 4.329 0.019 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
630 1 55 GLY HA2 1 58 ALA H 4.750 . 4.750 3.415 3.208 3.532 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
631 1 55 GLY HA2 1 58 ALA MB 3.330 . 3.330 2.782 2.639 2.973 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
632 1 55 GLY HA3 1 58 ALA MB 4.630 . 4.630 4.193 4.017 4.336 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
633 1 56 ALA H 1 56 ALA MB 3.090 . 3.090 2.207 2.188 2.226 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
634 1 56 ALA H 1 57 GLN H 4.010 . 4.010 2.844 2.794 2.881 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
635 1 56 ALA H 1 58 ALA H 4.660 . 4.660 4.358 4.245 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
636 1 56 ALA H 1 59 VAL H 5.500 . 5.500 4.850 4.799 4.938 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
637 1 56 ALA H 1 59 VAL MG1 4.860 . 4.860 4.663 4.580 4.718 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
638 1 56 ALA H 1 59 VAL MG2 4.460 . 4.460 4.042 3.967 4.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
639 1 56 ALA HA 1 59 VAL H 4.290 . 4.290 3.646 3.541 3.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
640 1 56 ALA HA 1 59 VAL HB 4.840 . 4.840 4.848 4.812 4.871 0.031 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
641 1 56 ALA HA 1 59 VAL MG1 3.660 . 3.660 3.597 3.469 3.669 0.009 43 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
642 1 56 ALA HA 1 59 VAL MG2 3.390 . 3.390 1.971 1.937 2.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
643 1 56 ALA HA 1 60 ALA H 4.550 . 4.550 4.064 3.919 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
644 1 56 ALA MB 1 57 GLN H 3.070 . 3.070 2.603 2.552 2.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
645 1 56 ALA MB 1 57 GLN HA 3.940 . 3.940 3.874 3.817 3.933 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
646 1 56 ALA MB 1 57 GLN QE 4.130 . 4.130 3.716 2.282 4.262 0.132 7 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
647 1 56 ALA MB 1 57 GLN HG2 3.910 . 3.910 3.383 3.251 4.039 0.129 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
648 1 56 ALA MB 1 57 GLN HG3 4.840 . 4.840 4.717 2.888 4.950 0.110 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
649 1 57 GLN H 1 57 GLN HB2 3.470 . 3.470 2.408 2.234 2.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
650 1 57 GLN H 1 57 GLN HB3 3.660 . 3.660 3.583 3.488 3.610 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
651 1 57 GLN H 1 57 GLN QE 4.650 . 4.650 4.004 2.976 4.563 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
652 1 57 GLN H 1 57 GLN HG2 3.860 . 3.860 2.333 2.062 3.468 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
653 1 57 GLN H 1 57 GLN HG3 3.690 . 3.690 3.439 2.033 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
654 1 57 GLN H 1 58 ALA H 3.360 . 3.360 2.649 2.427 2.726 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
655 1 57 GLN H 1 59 VAL H 4.400 . 4.400 4.208 4.041 4.307 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
656 1 57 GLN H 1 59 VAL MG1 5.320 . 5.320 5.209 5.032 5.288 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
657 1 57 GLN H 1 59 VAL MG2 4.290 . 4.290 4.191 4.067 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
658 1 57 GLN HA 1 57 GLN HE21 5.450 . 5.450 4.138 3.668 4.566 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
659 1 57 GLN HA 1 57 GLN QE 4.790 . 4.790 3.755 3.384 4.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
660 1 57 GLN HA 1 57 GLN HE22 5.450 . 5.450 4.335 3.843 5.521 0.071 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
661 1 57 GLN HA 1 57 GLN HG2 3.390 . 3.390 2.994 2.149 3.390 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
662 1 57 GLN HA 1 57 GLN HG3 4.030 . 4.030 3.726 2.707 3.870 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
663 1 57 GLN HA 1 60 ALA H 5.360 . 5.360 3.539 3.315 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
664 1 57 GLN HB2 1 57 GLN HE22 5.500 . 5.500 5.325 4.680 5.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
665 1 57 GLN HB2 1 58 ALA H 3.590 . 3.590 2.463 2.353 2.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
666 1 57 GLN HB2 1 58 ALA MB 4.020 . 4.020 3.822 3.697 4.020 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
667 1 57 GLN HB2 1 59 VAL MG2 5.500 . 5.500 5.597 5.545 5.675 0.175 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
668 1 57 GLN HB3 1 58 ALA H 3.980 . 3.980 3.553 3.404 3.768 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
669 1 57 GLN HG2 1 58 ALA H 4.470 . 4.470 4.326 4.013 4.988 0.518 22 1 "[ . 1 . 2 + . 3 . 4 . 5]" 1
670 1 57 GLN HG3 1 58 ALA H 5.020 . 5.020 4.731 3.995 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
671 1 58 ALA H 1 58 ALA MB 2.680 . 2.680 2.237 2.207 2.331 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
672 1 58 ALA H 1 59 VAL H 3.220 . 3.220 2.668 2.605 2.771 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
673 1 58 ALA H 1 59 VAL HA 5.500 . 5.500 5.289 5.243 5.413 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
674 1 58 ALA H 1 59 VAL MG1 4.420 . 4.420 4.161 4.050 4.293 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
675 1 58 ALA H 1 59 VAL MG2 4.540 . 4.540 3.994 3.869 4.101 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
676 1 58 ALA H 1 60 ALA H 4.370 . 4.370 3.927 3.822 4.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
677 1 58 ALA MB 1 59 VAL H 3.030 . 3.030 2.494 2.440 2.523 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
678 1 58 ALA MB 1 59 VAL MG1 3.040 . 3.040 3.020 2.969 3.068 0.028 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
679 1 59 VAL H 1 59 VAL HB 3.780 . 3.780 3.695 3.678 3.715 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
680 1 59 VAL H 1 59 VAL MG1 2.830 . 2.830 2.175 2.138 2.229 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
681 1 59 VAL H 1 59 VAL MG2 3.210 . 3.210 2.150 2.088 2.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
682 1 59 VAL HA 1 59 VAL MG1 2.910 . 2.910 2.383 2.356 2.408 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
683 1 59 VAL HA 1 59 VAL MG2 3.360 . 3.360 3.227 3.216 3.233 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
684 1 59 VAL HA 1 61 ALA H 4.460 . 4.460 3.932 3.782 4.140 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
685 1 59 VAL HA 1 62 ALA H 4.020 . 4.020 3.121 2.983 3.245 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
686 1 59 VAL HA 1 62 ALA MB 3.060 . 3.060 2.830 2.553 3.075 0.015 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
687 1 59 VAL HA 1 63 GLN H 4.690 . 4.690 4.296 4.123 4.538 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
688 1 59 VAL HB 1 60 ALA H 4.130 . 4.130 4.090 4.040 4.130 0.000 26 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
689 1 59 VAL HB 1 62 ALA H 5.060 . 5.060 4.696 4.537 4.906 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
690 1 59 VAL HB 1 62 ALA MB 3.950 . 3.950 3.516 3.343 3.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
691 1 59 VAL MG1 1 60 ALA H 3.950 . 3.950 4.005 3.962 4.034 0.084 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
692 1 59 VAL MG1 1 62 ALA H 5.280 . 5.280 5.024 4.914 5.152 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
693 1 59 VAL MG1 1 63 GLN HE21 4.970 . 4.970 4.282 4.002 5.020 0.050 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
694 1 59 VAL MG1 1 63 GLN HE22 5.500 . 5.500 5.413 5.067 5.534 0.034 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
695 1 59 VAL MG1 1 63 GLN HG2 5.500 . 5.500 4.844 4.734 5.358 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
696 1 59 VAL MG1 1 63 GLN HG3 5.500 . 5.500 5.494 5.080 5.579 0.079 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
697 1 59 VAL MG2 1 60 ALA H 3.640 . 3.640 2.460 2.349 2.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
698 1 59 VAL MG2 1 60 ALA HA 3.830 . 3.830 3.229 3.192 3.274 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
699 1 59 VAL MG2 1 61 ALA H 4.740 . 4.740 4.556 4.451 4.690 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
700 1 59 VAL MG2 1 62 ALA H 4.990 . 4.990 4.848 4.738 4.909 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
701 1 59 VAL MG2 1 63 GLN H 4.690 . 4.690 4.480 4.366 4.587 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
702 1 59 VAL MG2 1 63 GLN HB3 5.500 . 5.500 5.361 5.155 5.510 0.010 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
703 1 59 VAL MG2 1 63 GLN HE21 3.900 . 3.900 3.069 2.992 3.746 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
704 1 59 VAL MG2 1 63 GLN HE22 4.440 . 4.440 4.466 3.808 4.554 0.114 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
705 1 59 VAL MG2 1 63 GLN HG2 3.960 . 3.960 3.211 3.029 3.981 0.021 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
706 1 59 VAL MG2 1 63 GLN QG 3.410 . 3.410 2.847 2.666 2.981 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
707 1 59 VAL MG2 1 63 GLN HG3 3.960 . 3.960 3.193 2.802 3.342 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
708 1 60 ALA H 1 60 ALA MB 2.740 . 2.740 2.260 2.241 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
709 1 60 ALA H 1 61 ALA H 3.290 . 3.290 2.789 2.703 2.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
710 1 60 ALA H 1 62 ALA H 4.400 . 4.400 4.256 4.114 4.401 0.001 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
711 1 60 ALA HA 1 63 GLN H 3.860 . 3.860 3.047 2.898 3.147 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
712 1 60 ALA HA 1 63 GLN HB2 5.040 . 5.040 2.417 2.164 2.694 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
713 1 60 ALA HA 1 63 GLN HB3 5.110 . 5.110 3.988 3.758 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
714 1 60 ALA HA 1 63 GLN HE21 4.970 . 4.970 4.793 4.613 4.975 0.005 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
715 1 60 ALA MB 1 61 ALA H 2.850 . 2.850 2.750 2.650 2.862 0.012 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
716 1 60 ALA MB 1 63 GLN HB2 4.080 . 4.080 3.753 3.456 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
717 1 60 ALA MB 1 63 GLN HG2 5.160 . 5.160 4.528 4.321 5.219 0.059 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
718 1 60 ALA MB 1 63 GLN QG 4.340 . 4.340 3.836 3.637 3.991 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
719 1 60 ALA MB 1 63 GLN HG3 5.160 . 5.160 4.151 3.776 4.346 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
720 1 60 ALA MB 1 64 ARG H 5.040 . 5.040 4.263 4.042 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
721 1 60 ALA MB 1 64 ARG HB3 4.780 . 4.780 4.468 4.145 4.789 0.009 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
722 1 60 ALA MB 1 64 ARG QD 4.510 . 4.510 4.068 3.564 4.598 0.088 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
723 1 60 ALA MB 1 64 ARG QG 4.640 . 4.640 4.475 4.379 4.615 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
724 1 61 ALA H 1 61 ALA MB 2.610 . 2.610 2.242 2.234 2.254 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
725 1 61 ALA H 1 62 ALA H 3.150 . 3.150 2.629 2.566 2.670 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
726 1 61 ALA H 1 64 ARG QD 4.950 . 4.950 4.765 4.444 4.966 0.016 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
727 1 61 ALA HA 1 64 ARG HB2 5.090 . 5.090 5.101 5.094 5.112 0.022 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
728 1 61 ALA HA 1 64 ARG HB3 4.820 . 4.820 4.294 4.180 4.444 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
729 1 61 ALA HA 1 64 ARG QD 4.890 . 4.890 2.468 2.323 2.791 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
730 1 61 ALA MB 1 64 ARG H 5.500 . 5.500 4.896 4.813 4.978 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
731 1 61 ALA MB 1 64 ARG QD 4.660 . 4.660 3.561 3.439 4.084 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
732 1 61 ALA MB 1 64 ARG QG 4.800 . 4.800 3.692 3.614 3.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
733 1 62 ALA H 1 62 ALA MB 2.620 . 2.620 2.259 2.238 2.269 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
734 1 62 ALA H 1 63 GLN HA 5.500 . 5.500 5.158 5.090 5.194 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
735 1 62 ALA H 1 63 GLN HB2 5.050 . 5.050 4.816 4.727 4.947 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
736 1 62 ALA H 1 63 GLN QG 5.010 . 5.010 4.077 3.705 4.163 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
737 1 62 ALA H 1 64 ARG H 5.140 . 5.140 4.338 4.263 4.388 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
738 1 62 ALA H 1 64 ARG QG 4.640 . 4.640 4.434 4.370 4.506 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
739 1 62 ALA H 1 65 LEU MD2 5.030 . 5.030 4.734 4.653 4.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
740 1 62 ALA HA 1 64 ARG H 4.920 . 4.920 4.675 4.569 4.766 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
741 1 62 ALA HA 1 64 ARG QG 4.770 . 4.770 4.476 4.314 4.627 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
742 1 62 ALA HA 1 65 LEU H 3.770 . 3.770 3.488 3.358 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
743 1 62 ALA HA 1 65 LEU HB2 4.600 . 4.600 3.720 3.468 3.912 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
744 1 62 ALA HA 1 65 LEU HB3 3.830 . 3.830 2.325 2.122 2.466 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
745 1 62 ALA HA 1 65 LEU MD2 4.330 . 4.330 2.176 2.116 2.265 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
746 1 62 ALA HA 1 66 VAL H 4.320 . 4.320 4.018 3.960 4.095 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
747 1 62 ALA HA 1 66 VAL QG 4.660 . 4.660 4.710 4.676 4.749 0.089 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
748 1 62 ALA MB 1 63 GLN H 3.060 . 3.060 2.716 2.600 2.802 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
749 1 62 ALA MB 1 63 GLN HA 4.560 . 4.560 3.856 3.696 3.893 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
750 1 62 ALA MB 1 63 GLN HE21 4.780 . 4.780 4.451 3.780 4.814 0.034 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
751 1 62 ALA MB 1 63 GLN HE22 5.500 . 5.500 5.179 4.615 5.669 0.169 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
752 1 62 ALA MB 1 63 GLN HG2 5.410 . 5.410 3.392 3.074 3.486 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
753 1 62 ALA MB 1 63 GLN QG 4.550 . 4.550 3.333 2.883 3.425 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
754 1 62 ALA MB 1 63 GLN HG3 5.410 . 5.410 4.914 3.488 5.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
755 1 62 ALA MB 1 64 ARG H 5.500 . 5.500 4.792 4.744 4.835 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
756 1 62 ALA MB 1 65 LEU MD2 3.490 . 3.490 3.038 2.839 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
757 1 62 ALA MB 1 66 VAL H 4.880 . 4.880 4.340 4.283 4.443 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
758 1 63 GLN H 1 63 GLN HB2 3.330 . 3.330 2.523 2.457 2.681 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
759 1 63 GLN H 1 63 GLN HB3 3.640 . 3.640 3.629 3.608 3.643 0.003 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
760 1 63 GLN H 1 63 GLN HE21 5.070 . 5.070 4.567 4.132 4.956 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
761 1 63 GLN H 1 63 GLN HG2 3.600 . 3.600 2.277 2.136 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
762 1 63 GLN H 1 63 GLN QG 3.140 . 3.140 2.242 2.064 2.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
763 1 63 GLN H 1 63 GLN HG3 3.600 . 3.600 3.537 2.167 3.608 0.008 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
764 1 63 GLN H 1 64 ARG H 3.410 . 3.410 2.709 2.609 2.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
765 1 63 GLN H 1 64 ARG QD 5.500 . 5.500 5.484 5.234 5.564 0.064 27 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
766 1 63 GLN H 1 65 LEU H 3.970 . 3.970 3.813 3.714 3.922 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
767 1 63 GLN H 1 66 VAL QG 4.090 . 4.090 4.190 4.137 4.239 0.149 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
768 1 63 GLN HA 1 63 GLN HE21 4.970 . 4.970 4.523 4.191 4.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
769 1 63 GLN HA 1 63 GLN HG2 3.910 . 3.910 3.019 2.492 3.123 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
770 1 63 GLN HA 1 63 GLN HG3 3.910 . 3.910 3.840 3.504 3.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
771 1 63 GLN HA 1 65 LEU H 4.640 . 4.640 3.992 3.886 4.106 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
772 1 63 GLN HA 1 65 LEU HG 5.500 . 5.500 5.536 5.512 5.579 0.079 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
773 1 63 GLN HA 1 66 VAL H 3.860 . 3.860 3.211 3.136 3.302 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
774 1 63 GLN HA 1 66 VAL HB 3.980 . 3.980 3.954 3.863 3.993 0.013 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
775 1 63 GLN HA 1 66 VAL MG1 4.640 . 4.640 1.889 1.855 1.926 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
776 1 63 GLN HA 1 66 VAL QG 3.200 . 3.200 1.887 1.854 1.924 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
777 1 63 GLN HA 1 66 VAL MG2 4.640 . 4.640 4.644 4.601 4.679 0.039 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
778 1 63 GLN HA 1 67 HIS H 4.740 . 4.740 3.863 3.682 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
779 1 63 GLN HB2 1 63 GLN HE21 4.660 . 4.660 4.607 4.533 4.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
780 1 63 GLN HB2 1 64 ARG H 3.620 . 3.620 2.468 2.431 2.564 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
781 1 63 GLN HB2 1 66 VAL QG 4.630 . 4.630 4.397 4.330 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
782 1 63 GLN HB3 1 63 GLN HE21 4.580 . 4.580 4.432 3.818 4.484 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
783 1 63 GLN HB3 1 63 GLN HE22 5.040 . 5.040 4.648 4.214 4.707 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
784 1 63 GLN HB3 1 64 ARG H 3.990 . 3.990 3.552 3.487 3.792 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
785 1 63 GLN HB3 1 66 VAL QG 4.750 . 4.750 3.608 3.480 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
786 1 63 GLN HE22 1 66 VAL QG 5.440 . 5.440 4.441 4.147 5.504 0.064 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
787 1 63 GLN QG 1 64 ARG H 4.110 . 4.110 3.987 3.767 4.059 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
788 1 63 GLN QG 1 66 VAL QG 4.850 . 4.850 4.092 3.603 4.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
789 1 63 GLN HG2 1 64 ARG H 4.720 . 4.720 4.306 4.226 4.594 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
790 1 63 GLN HG3 1 64 ARG H 4.720 . 4.720 4.717 4.002 4.743 0.023 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
791 1 64 ARG H 1 64 ARG HB2 3.780 . 3.780 3.654 3.624 3.678 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
792 1 64 ARG H 1 64 ARG HB3 3.850 . 3.850 2.590 2.500 2.663 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
793 1 64 ARG H 1 64 ARG QD 4.140 . 4.140 3.739 3.505 4.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
794 1 64 ARG H 1 64 ARG HG2 3.590 . 3.590 2.221 2.069 2.327 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
795 1 64 ARG H 1 64 ARG QG 3.020 . 3.020 2.197 2.054 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
796 1 64 ARG H 1 64 ARG HG3 3.590 . 3.590 3.500 3.248 3.594 0.004 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
797 1 64 ARG H 1 65 LEU H 3.620 . 3.620 2.558 2.465 2.600 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
798 1 64 ARG H 1 66 VAL H 4.410 . 4.410 4.409 4.276 4.419 0.009 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
799 1 64 ARG H 1 66 VAL QG 4.710 . 4.710 4.431 4.299 4.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
800 1 64 ARG HA 1 64 ARG QD 4.770 . 4.770 4.484 4.239 4.560 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
801 1 64 ARG HA 1 64 ARG HG2 4.100 . 4.100 3.771 3.694 3.804 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
802 1 64 ARG HA 1 64 ARG HG3 4.100 . 4.100 3.810 3.759 3.871 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
803 1 64 ARG HA 1 67 HIS QB 3.770 . 3.770 2.745 2.290 3.030 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
804 1 64 ARG HB2 1 64 ARG QD 3.630 . 3.630 2.876 2.393 3.176 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
805 1 64 ARG HB2 1 65 LEU H 4.010 . 4.010 4.018 3.950 4.036 0.026 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
806 1 64 ARG HB3 1 64 ARG QD 3.760 . 3.760 2.416 2.306 2.790 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
807 1 64 ARG QD 1 65 LEU H 4.460 . 4.460 4.429 4.351 4.475 0.015 19 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
808 1 64 ARG QG 1 65 LEU H 2.920 . 2.920 2.476 2.360 2.550 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
809 1 64 ARG HG2 1 65 LEU H 3.550 . 3.550 2.721 2.512 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
810 1 64 ARG HG3 1 65 LEU H 3.550 . 3.550 2.869 2.502 3.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
811 1 65 LEU H 1 65 LEU HB2 3.470 . 3.470 3.031 2.987 3.085 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
812 1 65 LEU H 1 65 LEU HB3 3.410 . 3.410 2.049 2.024 2.078 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
813 1 65 LEU H 1 65 LEU MD1 4.480 . 4.480 4.361 4.322 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
814 1 65 LEU H 1 65 LEU MD2 4.020 . 4.020 3.982 3.943 4.010 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
815 1 65 LEU H 1 66 VAL H 3.280 . 3.280 2.702 2.649 2.739 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
816 1 65 LEU H 1 66 VAL HA 5.330 . 5.330 5.276 5.239 5.305 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
817 1 65 LEU H 1 66 VAL HB 5.210 . 5.210 5.193 5.106 5.223 0.013 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
818 1 65 LEU H 1 66 VAL QG 3.970 . 3.970 3.931 3.852 3.999 0.029 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
819 1 65 LEU HA 1 65 LEU MD1 2.890 . 2.890 2.665 2.594 2.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
820 1 65 LEU HA 1 65 LEU MD2 4.150 . 4.150 4.047 4.030 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
821 1 65 LEU HA 1 68 ALA H 3.650 . 3.650 3.364 3.238 3.449 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
822 1 65 LEU HA 1 68 ALA MB 4.390 . 4.390 2.810 2.681 2.904 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
823 1 65 LEU HA 1 69 ILE MD 4.330 . 4.330 4.219 4.171 4.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
824 1 65 LEU HB2 1 65 LEU MD1 3.300 . 3.300 2.367 2.342 2.393 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
825 1 65 LEU HB2 1 65 LEU MD2 3.040 . 3.040 2.417 2.399 2.439 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
826 1 65 LEU HB2 1 66 VAL H 4.130 . 4.130 4.082 4.056 4.107 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
827 1 65 LEU HB2 1 68 ALA MB 4.660 . 4.660 4.586 4.433 4.672 0.012 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
828 1 65 LEU HB3 1 65 LEU MD2 2.870 . 2.870 2.266 2.235 2.280 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
829 1 65 LEU HB3 1 66 VAL H 3.600 . 3.600 2.829 2.772 2.885 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
830 1 65 LEU HB3 1 66 VAL QG 4.700 . 4.700 4.346 4.278 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
831 1 65 LEU MD1 1 66 VAL H 3.970 . 3.970 3.907 3.848 3.974 0.004 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
832 1 65 LEU MD1 1 66 VAL HA 4.540 . 4.540 3.502 3.386 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
833 1 65 LEU MD1 1 68 ALA H 4.330 . 4.330 4.372 4.340 4.434 0.104 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
834 1 65 LEU MD1 1 68 ALA MB 3.470 . 3.470 3.238 3.169 3.326 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
835 1 65 LEU MD1 1 69 ILE H 4.140 . 4.140 3.943 3.879 3.990 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
836 1 65 LEU MD1 1 69 ILE HA 5.500 . 5.500 5.498 5.337 5.546 0.046 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
837 1 65 LEU MD2 1 66 VAL H 3.880 . 3.880 3.776 3.743 3.807 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
838 1 65 LEU MD2 1 66 VAL HA 4.470 . 4.470 4.499 4.483 4.538 0.068 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
839 1 65 LEU HG 1 66 VAL H 3.890 . 3.890 2.653 2.588 2.732 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
840 1 65 LEU HG 1 66 VAL HA 4.740 . 4.740 3.010 2.994 3.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
841 1 65 LEU HG 1 66 VAL MG1 4.920 . 4.920 4.210 4.111 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
842 1 65 LEU HG 1 66 VAL QG 3.970 . 3.970 3.833 3.792 3.891 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
843 1 65 LEU HG 1 66 VAL MG2 4.920 . 4.920 4.413 4.310 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
844 1 65 LEU HG 1 69 ILE H 5.500 . 5.500 5.253 5.115 5.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
845 1 65 LEU HG 1 69 ILE MD 3.460 . 3.460 3.118 2.950 3.218 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
846 1 66 VAL H 1 66 VAL HB 3.130 . 3.130 2.582 2.529 2.652 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
847 1 66 VAL H 1 66 VAL MG1 4.320 . 4.320 2.135 2.080 2.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
848 1 66 VAL H 1 66 VAL QG 2.790 . 2.790 2.124 2.071 2.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
849 1 66 VAL H 1 66 VAL MG2 4.320 . 4.320 3.827 3.811 3.838 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
850 1 66 VAL H 1 67 HIS H 3.100 . 3.100 2.633 2.570 2.672 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
851 1 66 VAL H 1 67 HIS HA 5.490 . 5.490 5.263 5.215 5.296 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
852 1 66 VAL H 1 67 HIS QB 4.440 . 4.440 4.317 4.212 4.403 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
853 1 66 VAL H 1 68 ALA MB 5.110 . 5.110 4.908 4.839 4.952 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
854 1 66 VAL H 1 69 ILE MD 4.350 . 4.350 4.064 4.002 4.093 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
855 1 66 VAL HA 1 66 VAL MG1 3.210 . 3.210 3.231 3.219 3.240 0.030 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
856 1 66 VAL HA 1 66 VAL QG 2.740 . 2.740 2.278 2.245 2.300 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
857 1 66 VAL HA 1 66 VAL MG2 3.210 . 3.210 2.328 2.290 2.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
858 1 66 VAL HA 1 68 ALA H 4.560 . 4.560 4.096 4.012 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
859 1 66 VAL HA 1 68 ALA MB 4.740 . 4.740 4.594 4.546 4.654 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
860 1 66 VAL HA 1 69 ILE H 3.860 . 3.860 3.420 3.338 3.475 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
861 1 66 VAL HA 1 69 ILE HB 3.840 . 3.840 3.508 3.285 3.712 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
862 1 66 VAL HA 1 69 ILE MD 3.330 . 3.330 1.951 1.893 1.983 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
863 1 66 VAL HA 1 69 ILE HG12 4.920 . 4.920 4.907 4.813 4.934 0.014 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
864 1 66 VAL HA 1 69 ILE HG13 5.070 . 5.070 4.338 4.138 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
865 1 66 VAL HA 1 70 ALA H 4.680 . 4.680 4.314 4.206 4.384 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
866 1 66 VAL HA 1 70 ALA MB 4.870 . 4.870 4.844 4.763 4.887 0.017 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
867 1 66 VAL HB 1 67 HIS H 4.010 . 4.010 4.005 3.969 4.017 0.007 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
868 1 66 VAL HB 1 67 HIS QB 5.500 . 5.500 5.536 5.515 5.557 0.057 9 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
869 1 66 VAL HB 1 69 ILE MD 4.490 . 4.490 3.957 3.879 4.000 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
870 1 66 VAL QG 1 67 HIS H 3.040 . 3.040 2.274 2.217 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
871 1 66 VAL QG 1 67 HIS HA 3.600 . 3.600 3.163 3.126 3.195 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
872 1 66 VAL QG 1 67 HIS QB 3.980 . 3.980 3.088 3.013 3.143 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
873 1 66 VAL QG 1 67 HIS HD2 4.680 . 4.680 4.663 4.491 4.802 0.122 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
874 1 66 VAL QG 1 68 ALA H 4.480 . 4.480 4.173 4.099 4.206 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
875 1 66 VAL QG 1 68 ALA MB 5.420 . 5.420 4.920 4.894 4.950 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
876 1 66 VAL QG 1 69 ILE HB 5.440 . 5.440 3.680 3.494 3.797 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
877 1 66 VAL QG 1 70 ALA H 4.380 . 4.380 3.870 3.755 3.951 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
878 1 66 VAL QG 1 70 ALA MB 3.050 . 3.050 3.196 3.073 3.292 0.242 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
879 1 66 VAL MG1 1 67 HIS H 3.770 . 3.770 2.292 2.235 2.328 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
880 1 66 VAL MG1 1 67 HIS HA 4.580 . 4.580 3.368 3.312 3.421 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
881 1 66 VAL MG1 1 67 HIS QB 4.810 . 4.810 3.135 3.056 3.191 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
882 1 66 VAL MG1 1 67 HIS HD2 5.500 . 5.500 5.035 4.798 5.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
883 1 66 VAL MG1 1 70 ALA H 5.270 . 5.270 5.020 4.850 5.125 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
884 1 66 VAL MG2 1 67 HIS H 3.770 . 3.770 3.777 3.682 3.824 0.054 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
885 1 66 VAL MG2 1 67 HIS HA 4.580 . 4.580 3.840 3.710 3.928 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
886 1 66 VAL MG2 1 67 HIS QB 4.810 . 4.810 4.643 4.536 4.719 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
887 1 66 VAL MG2 1 67 HIS HD2 5.500 . 5.500 5.510 5.410 5.548 0.048 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
888 1 66 VAL MG2 1 70 ALA H 5.270 . 5.270 4.026 3.903 4.131 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
889 1 67 HIS H 1 67 HIS QB 2.880 . 2.880 2.165 2.109 2.212 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
890 1 67 HIS H 1 67 HIS HD2 4.770 . 4.770 4.781 4.771 4.795 0.025 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
891 1 67 HIS H 1 68 ALA MB 4.370 . 4.370 4.389 4.379 4.409 0.039 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
892 1 67 HIS H 1 70 ALA H 4.850 . 4.850 4.729 4.632 4.775 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
893 1 67 HIS H 1 70 ALA MB 4.500 . 4.500 4.510 4.439 4.530 0.030 12 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
894 1 67 HIS HA 1 68 ALA MB 5.140 . 5.140 5.047 5.039 5.056 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
895 1 67 HIS HA 1 69 ILE H 4.940 . 4.940 4.408 4.311 4.496 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
896 1 67 HIS HA 1 70 ALA H 4.300 . 4.300 3.223 3.096 3.320 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
897 1 67 HIS HA 1 70 ALA MB 3.060 . 3.060 2.334 2.271 2.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
898 1 67 HIS HA 1 71 LEU H 4.450 . 4.450 4.408 4.112 4.467 0.017 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
899 1 67 HIS QB 1 68 ALA H 3.120 . 3.120 2.719 2.629 2.878 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
900 1 67 HIS QB 1 68 ALA MB 4.000 . 4.000 3.963 3.905 4.043 0.043 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
901 1 67 HIS QB 1 69 ILE H 5.000 . 5.000 4.895 4.857 4.943 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
902 1 67 HIS QB 1 70 ALA H 5.340 . 5.340 4.850 4.790 4.899 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
903 1 67 HIS QB 1 70 ALA MB 4.300 . 4.300 4.045 3.973 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
904 1 67 HIS QB 1 71 LEU H 5.500 . 5.500 5.447 5.164 5.509 0.009 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
905 1 67 HIS QB 1 71 LEU MD1 4.670 . 4.670 3.966 3.786 4.162 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
906 1 67 HIS HD2 1 68 ALA H 5.500 . 5.500 5.106 4.820 5.504 0.004 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
907 1 67 HIS HD2 1 70 ALA MB 4.460 . 4.460 2.255 1.916 2.930 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
908 1 67 HIS HD2 1 71 LEU MD1 5.500 . 5.500 3.944 3.618 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
909 1 67 HIS HD2 1 71 LEU MD2 5.500 . 5.500 3.795 3.573 4.263 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
910 1 67 HIS HD2 1 71 LEU HG 5.290 . 5.290 3.397 3.002 4.207 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
911 1 68 ALA H 1 68 ALA MB 2.680 . 2.680 2.234 2.217 2.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
912 1 68 ALA H 1 69 ILE H 3.230 . 3.230 2.764 2.701 2.819 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
913 1 68 ALA H 1 69 ILE HA 5.500 . 5.500 5.373 5.334 5.410 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
914 1 68 ALA H 1 69 ILE HB 5.340 . 5.340 5.162 5.041 5.298 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
915 1 68 ALA H 1 69 ILE MD 4.150 . 4.150 3.989 3.887 4.171 0.021 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
916 1 68 ALA H 1 69 ILE HG13 5.100 . 5.100 4.729 4.609 4.800 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
917 1 68 ALA H 1 70 ALA H 4.130 . 4.130 4.014 3.956 4.060 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
918 1 68 ALA H 1 71 LEU MD1 4.320 . 4.320 4.244 4.146 4.334 0.014 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
919 1 68 ALA HA 1 70 ALA H 4.610 . 4.610 4.380 4.325 4.420 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
920 1 68 ALA HA 1 71 LEU H 4.660 . 4.660 3.589 3.495 3.645 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
921 1 68 ALA HA 1 71 LEU HB2 4.640 . 4.640 3.379 3.253 3.494 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
922 1 68 ALA HA 1 71 LEU MD1 3.110 . 3.110 2.037 1.959 2.088 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
923 1 68 ALA HA 1 71 LEU HG 4.860 . 4.860 3.678 3.490 3.787 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
924 1 68 ALA HA 1 72 MET ME 5.500 . 5.500 4.988 4.785 5.222 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
925 1 68 ALA HA 1 72 MET HG3 5.130 . 5.130 4.549 4.362 4.722 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
926 1 68 ALA MB 1 69 ILE H 3.100 . 3.100 2.517 2.455 2.553 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
927 1 68 ALA MB 1 69 ILE HA 3.950 . 3.950 3.847 3.815 3.884 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
928 1 68 ALA MB 1 69 ILE HB 4.780 . 4.780 4.697 4.644 4.758 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
929 1 68 ALA MB 1 69 ILE MD 3.880 . 3.880 3.450 3.325 3.655 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
930 1 68 ALA MB 1 69 ILE HG12 4.600 . 4.600 4.614 4.582 4.630 0.030 16 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
931 1 68 ALA MB 1 69 ILE HG13 4.110 . 4.110 3.066 3.026 3.083 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
932 1 68 ALA MB 1 69 ILE MG 4.950 . 4.950 4.897 4.845 4.949 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
933 1 68 ALA MB 1 70 ALA H 4.430 . 4.430 4.423 4.378 4.452 0.022 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
934 1 68 ALA MB 1 71 LEU H 5.090 . 5.090 4.573 4.517 4.626 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
935 1 68 ALA MB 1 71 LEU MD1 3.720 . 3.720 3.494 3.355 3.575 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
936 1 68 ALA MB 1 72 MET ME 3.860 . 3.860 3.392 3.119 3.653 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
937 1 68 ALA MB 1 72 MET HG2 5.500 . 5.500 5.004 4.682 5.252 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
938 1 68 ALA MB 1 72 MET HG3 4.390 . 4.390 3.960 3.716 4.175 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
939 1 69 ILE H 1 69 ILE HB 3.190 . 3.190 2.635 2.564 2.713 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
940 1 69 ILE H 1 69 ILE MD 3.390 . 3.390 2.331 2.196 2.558 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
941 1 69 ILE H 1 69 ILE HG12 3.780 . 3.780 3.787 3.772 3.797 0.017 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
942 1 69 ILE H 1 69 ILE HG13 3.530 . 3.530 2.372 2.304 2.422 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
943 1 69 ILE H 1 69 ILE MG 3.930 . 3.930 3.837 3.821 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
944 1 69 ILE H 1 70 ALA H 3.350 . 3.350 2.531 2.479 2.556 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
945 1 69 ILE H 1 71 LEU H 4.450 . 4.450 4.000 3.924 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
946 1 69 ILE H 1 72 MET H 5.260 . 5.260 4.753 4.665 4.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
947 1 69 ILE H 1 72 MET HB2 5.500 . 5.500 5.375 5.257 5.520 0.020 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
948 1 69 ILE H 1 72 MET ME 4.420 . 4.420 3.857 3.691 4.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
949 1 69 ILE HA 1 69 ILE MD 3.850 . 3.850 3.752 3.706 3.820 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
950 1 69 ILE HA 1 69 ILE HG12 3.860 . 3.860 3.215 3.101 3.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
951 1 69 ILE HA 1 69 ILE HG13 3.810 . 3.810 2.559 2.491 2.632 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
952 1 69 ILE HA 1 69 ILE MG 3.000 . 3.000 2.339 2.271 2.382 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
953 1 69 ILE HA 1 71 LEU H 4.530 . 4.530 3.811 3.751 4.029 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
954 1 69 ILE HA 1 72 MET H 3.740 . 3.740 2.952 2.877 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
955 1 69 ILE HA 1 72 MET HB2 4.150 . 4.150 2.543 2.420 2.708 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
956 1 69 ILE HA 1 72 MET HB3 4.580 . 4.580 4.117 3.996 4.261 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
957 1 69 ILE HA 1 72 MET ME 3.620 . 3.620 2.174 2.123 2.253 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
958 1 69 ILE HA 1 72 MET HG2 4.480 . 4.480 4.070 3.976 4.193 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
959 1 69 ILE HA 1 72 MET HG3 4.290 . 4.290 2.394 2.313 2.521 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
960 1 69 ILE HA 1 73 THR H 4.490 . 4.490 4.181 4.015 4.368 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
961 1 69 ILE HA 1 73 THR MG 4.930 . 4.930 3.941 3.850 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
962 1 69 ILE HB 1 69 ILE MD 3.140 . 3.140 2.118 2.095 2.138 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
963 1 69 ILE HB 1 70 ALA H 3.770 . 3.770 2.777 2.710 2.832 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
964 1 69 ILE HB 1 70 ALA MB 4.330 . 4.330 4.091 4.047 4.160 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
965 1 69 ILE MD 1 69 ILE MG 3.130 . 3.130 2.679 2.497 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
966 1 69 ILE MD 1 70 ALA H 4.030 . 4.030 3.769 3.670 3.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
967 1 69 ILE MD 1 70 ALA HA 5.500 . 5.500 5.501 5.427 5.576 0.076 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
968 1 69 ILE MD 1 70 ALA MB 4.750 . 4.750 4.728 4.622 4.842 0.092 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
969 1 69 ILE MD 1 71 LEU H 5.500 . 5.500 5.610 5.532 5.730 0.230 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
970 1 69 ILE MD 1 72 MET ME 4.390 . 4.390 3.784 3.664 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
971 1 69 ILE HG12 1 69 ILE MG 3.210 . 3.210 2.123 2.104 2.146 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
972 1 69 ILE HG12 1 70 ALA H 5.260 . 5.260 5.240 5.202 5.266 0.006 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
973 1 69 ILE HG13 1 69 ILE MG 3.140 . 3.140 2.996 2.943 3.064 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
974 1 69 ILE HG13 1 70 ALA H 4.950 . 4.950 4.399 4.335 4.432 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
975 1 69 ILE HG13 1 72 MET ME 4.230 . 4.230 2.552 2.380 2.769 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
976 1 69 ILE MG 1 70 ALA H 3.830 . 3.830 3.768 3.691 3.836 0.006 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
977 1 69 ILE MG 1 70 ALA HA 4.060 . 4.060 3.732 3.639 3.833 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
978 1 69 ILE MG 1 70 ALA MB 4.640 . 4.640 4.472 4.400 4.562 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
979 1 69 ILE MG 1 71 LEU H 5.060 . 5.060 4.777 4.704 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
980 1 69 ILE MG 1 72 MET H 4.440 . 4.440 4.193 4.135 4.279 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
981 1 69 ILE MG 1 72 MET HB2 4.320 . 4.320 2.888 2.807 2.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
982 1 69 ILE MG 1 72 MET HB3 4.650 . 4.650 4.156 4.074 4.276 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
983 1 69 ILE MG 1 72 MET ME 3.590 . 3.590 2.379 2.305 2.518 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
984 1 69 ILE MG 1 72 MET HG2 5.130 . 5.130 5.159 5.132 5.190 0.060 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
985 1 69 ILE MG 1 72 MET HG3 4.720 . 4.720 4.003 3.964 4.038 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
986 1 69 ILE MG 1 73 THR H 4.260 . 4.260 3.834 3.698 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
987 1 69 ILE MG 1 73 THR HA 4.930 . 4.930 4.702 4.523 4.900 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
988 1 69 ILE MG 1 73 THR HB 5.260 . 5.260 4.785 4.497 4.998 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
989 1 69 ILE MG 1 73 THR MG 3.070 . 3.070 2.210 2.067 2.360 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
990 1 70 ALA H 1 70 ALA MB 2.610 . 2.610 2.222 2.206 2.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
991 1 70 ALA H 1 71 LEU H 3.180 . 3.180 2.650 2.615 2.677 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
992 1 70 ALA H 1 71 LEU HB2 5.500 . 5.500 4.971 4.899 5.018 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
993 1 70 ALA H 1 71 LEU MD1 4.830 . 4.830 4.783 4.745 4.847 0.017 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
994 1 70 ALA H 1 71 LEU MD2 5.500 . 5.500 5.527 5.510 5.572 0.072 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
995 1 70 ALA H 1 71 LEU HG 4.910 . 4.910 4.277 4.258 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
996 1 70 ALA H 1 72 MET H 4.790 . 4.790 4.189 4.100 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
997 1 70 ALA H 1 72 MET ME 5.500 . 5.500 5.098 5.023 5.204 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
998 1 70 ALA H 1 73 THR H 5.150 . 5.150 4.837 4.735 5.017 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
999 1 70 ALA H 1 73 THR MG 5.320 . 5.320 4.696 4.558 4.825 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1000 1 70 ALA HA 1 73 THR H 4.050 . 4.050 3.526 3.344 3.757 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1001 1 70 ALA HA 1 73 THR MG 4.750 . 4.750 3.308 3.071 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1002 1 70 ALA MB 1 71 LEU H 3.000 . 3.000 2.828 2.652 2.874 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1003 1 70 ALA MB 1 73 THR H 4.900 . 4.900 4.649 4.485 4.806 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1004 1 70 ALA MB 1 74 GLN H 5.500 . 5.500 5.162 4.778 5.530 0.030 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1005 1 70 ALA MB 1 74 GLN HE21 4.900 . 4.900 3.498 3.306 3.879 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1006 1 70 ALA MB 1 74 GLN HE22 5.380 . 5.380 4.206 3.881 4.843 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1007 1 71 LEU H 1 71 LEU HB2 3.100 . 3.100 2.505 2.476 2.527 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1008 1 71 LEU H 1 71 LEU HB3 3.700 . 3.700 3.667 3.650 3.682 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1009 1 71 LEU H 1 71 LEU MD1 3.190 . 3.190 3.207 3.193 3.240 0.050 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1010 1 71 LEU H 1 71 LEU MD2 3.820 . 3.820 3.704 3.648 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1011 1 71 LEU H 1 71 LEU HG 3.150 . 3.150 2.243 2.195 2.306 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1012 1 71 LEU H 1 72 MET H 3.080 . 3.080 2.416 2.385 2.531 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1013 1 71 LEU H 1 72 MET HA 5.330 . 5.330 5.098 5.065 5.184 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1014 1 71 LEU H 1 72 MET HB2 5.040 . 5.040 4.638 4.559 4.845 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1015 1 71 LEU H 1 72 MET ME 5.500 . 5.500 5.124 5.076 5.315 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1016 1 71 LEU H 1 72 MET HG2 5.050 . 5.050 5.056 5.032 5.071 0.021 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1017 1 71 LEU H 1 72 MET HG3 4.700 . 4.700 4.037 3.994 4.165 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1018 1 71 LEU H 1 73 THR MG 5.120 . 5.120 4.971 4.879 5.130 0.010 24 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1019 1 71 LEU HA 1 71 LEU MD2 2.880 . 2.880 2.200 2.178 2.221 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1020 1 71 LEU HA 1 73 THR H 4.120 . 4.120 3.936 3.817 4.037 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1021 1 71 LEU HA 1 74 GLN HE22 4.440 . 4.440 3.642 3.492 4.049 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1022 1 71 LEU HA 1 75 PHE H 5.390 . 5.390 4.044 3.898 4.236 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1023 1 71 LEU HA 1 75 PHE QD 5.160 . 5.160 3.457 2.966 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1024 1 71 LEU HB2 1 71 LEU MD1 3.030 . 3.030 2.152 2.137 2.171 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1025 1 71 LEU HB2 1 71 LEU MD2 3.270 . 3.270 3.208 3.202 3.216 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1026 1 71 LEU HB2 1 72 MET H 3.480 . 3.480 2.556 2.502 2.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1027 1 71 LEU HB2 1 72 MET HG2 5.400 . 5.400 3.894 3.781 3.975 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1028 1 71 LEU HB2 1 72 MET HG3 4.830 . 4.830 3.625 3.494 3.763 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1029 1 71 LEU HB2 1 73 THR H 5.090 . 5.090 4.790 4.744 4.844 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1030 1 71 LEU HB3 1 71 LEU MD1 2.860 . 2.860 2.587 2.565 2.599 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1031 1 71 LEU HB3 1 71 LEU MD2 2.980 . 2.980 2.300 2.294 2.308 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1032 1 71 LEU HB3 1 72 MET H 3.880 . 3.880 3.678 3.615 3.709 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1033 1 71 LEU HB3 1 72 MET HG2 5.500 . 5.500 4.782 4.603 4.897 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1034 1 71 LEU MD1 1 72 MET H 4.120 . 4.120 4.147 4.127 4.198 0.078 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1035 1 71 LEU MD1 1 72 MET ME 5.500 . 5.500 5.568 5.518 5.683 0.183 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1036 1 71 LEU MD1 1 72 MET HG3 4.790 . 4.790 4.708 4.624 4.798 0.008 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1037 1 71 LEU MD1 1 75 PHE QD 5.500 . 5.500 4.775 4.390 5.115 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1038 1 71 LEU MD1 1 75 PHE QE 5.500 . 5.500 4.291 3.338 4.895 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1039 1 71 LEU MD2 1 74 GLN H 5.500 . 5.500 5.100 4.967 5.247 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1040 1 71 LEU MD2 1 74 GLN HE21 4.190 . 4.190 3.038 2.672 3.345 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1041 1 71 LEU MD2 1 74 GLN HE22 4.410 . 4.410 3.022 2.824 3.609 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1042 1 71 LEU MD2 1 74 GLN QG 4.470 . 4.470 3.405 3.148 4.255 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1043 1 71 LEU MD2 1 75 PHE QD 4.370 . 4.370 3.800 3.327 4.350 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1044 1 71 LEU MD2 1 75 PHE QE 4.690 . 4.690 3.081 2.475 3.728 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1045 1 71 LEU HG 1 72 MET H 4.220 . 4.220 4.138 4.096 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1046 1 71 LEU HG 1 73 THR H 5.500 . 5.500 5.556 5.519 5.615 0.115 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1047 1 71 LEU HG 1 75 PHE QD 5.500 . 5.500 5.388 5.043 5.520 0.020 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1048 1 72 MET H 1 72 MET HB2 3.120 . 3.120 2.569 2.506 2.613 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1049 1 72 MET H 1 72 MET HB3 3.650 . 3.650 3.616 3.592 3.637 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1050 1 72 MET H 1 72 MET ME 4.230 . 4.230 3.894 3.863 3.955 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1051 1 72 MET H 1 72 MET HG2 3.470 . 3.470 2.875 2.803 2.914 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1052 1 72 MET H 1 72 MET HG3 3.290 . 3.290 2.180 2.112 2.260 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1053 1 72 MET H 1 73 THR H 3.080 . 3.080 2.655 2.604 2.702 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1054 1 72 MET H 1 73 THR MG 4.250 . 4.250 4.160 4.087 4.251 0.001 21 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1055 1 72 MET HA 1 72 MET ME 5.030 . 5.030 4.632 4.594 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1056 1 72 MET HA 1 72 MET HG2 3.540 . 3.540 2.274 2.209 2.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1057 1 72 MET HA 1 72 MET HG3 3.800 . 3.800 3.303 3.278 3.340 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1058 1 72 MET HA 1 74 GLN H 4.440 . 4.440 4.280 3.893 4.451 0.011 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1059 1 72 MET HA 1 75 PHE H 3.670 . 3.670 3.348 3.276 3.415 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1060 1 72 MET HA 1 75 PHE HB2 4.610 . 4.610 2.487 2.137 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1061 1 72 MET HA 1 75 PHE QB 3.980 . 3.980 2.456 2.119 2.821 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1062 1 72 MET HA 1 75 PHE HB3 4.610 . 4.610 3.828 3.474 4.266 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1063 1 72 MET HA 1 75 PHE QD 4.590 . 4.590 3.780 2.747 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1064 1 72 MET HA 1 76 GLY H 4.310 . 4.310 3.807 3.226 4.310 0.000 47 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1065 1 72 MET HB2 1 73 THR H 3.670 . 3.670 2.948 2.838 3.091 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1066 1 72 MET HB2 1 73 THR MG 4.350 . 4.350 3.076 3.016 3.178 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1067 1 72 MET HB3 1 73 THR H 4.070 . 4.070 3.965 3.910 4.075 0.005 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1068 1 72 MET HB3 1 73 THR MG 4.580 . 4.580 4.109 4.001 4.241 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1069 1 72 MET ME 1 72 MET HG2 3.810 . 3.810 3.381 3.328 3.409 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1070 1 72 MET ME 1 72 MET HG3 3.740 . 3.740 2.366 2.287 2.416 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1071 1 72 MET ME 1 73 THR H 5.310 . 5.310 4.937 4.808 5.121 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1072 1 72 MET ME 1 73 THR MG 5.070 . 5.070 4.219 4.099 4.404 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1073 1 72 MET HG2 1 73 THR H 4.750 . 4.750 4.742 4.657 4.767 0.017 40 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1074 1 72 MET HG2 1 73 THR MG 5.500 . 5.500 5.572 5.527 5.639 0.139 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1075 1 72 MET HG2 1 75 PHE H 5.500 . 5.500 5.523 5.502 5.547 0.047 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1076 1 72 MET HG3 1 73 THR H 4.460 . 4.460 4.310 4.192 4.397 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1077 1 72 MET HG3 1 73 THR MG 4.900 . 4.900 4.907 4.868 4.947 0.047 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1078 1 73 THR H 1 73 THR HB 4.110 . 4.110 3.670 3.641 3.744 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1079 1 73 THR H 1 73 THR MG 3.040 . 3.040 2.442 2.364 2.573 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1080 1 73 THR H 1 74 GLN QB 5.340 . 5.340 4.809 4.523 4.940 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1081 1 73 THR H 1 76 GLY H 5.090 . 5.090 4.581 4.362 4.805 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1082 1 73 THR HA 1 73 THR MG 2.820 . 2.820 2.331 2.282 2.419 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1083 1 73 THR HB 1 74 GLN H 4.710 . 4.710 3.883 3.732 4.172 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1084 1 73 THR MG 1 74 GLN H 4.110 . 4.110 4.078 3.997 4.179 0.069 32 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1085 1 73 THR MG 1 76 GLY H 5.500 . 5.500 5.148 4.911 5.457 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1086 1 74 GLN H 1 74 GLN HA 2.940 . 2.940 2.936 2.911 2.968 0.028 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1087 1 74 GLN H 1 74 GLN QB 2.940 . 2.940 2.719 2.497 2.947 0.007 22 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1088 1 74 GLN H 1 74 GLN HE22 5.480 . 5.480 5.196 5.019 5.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1089 1 74 GLN H 1 74 GLN QG 3.250 . 3.250 2.058 1.910 2.275 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1090 1 74 GLN H 1 75 PHE H 2.950 . 2.950 2.377 2.086 2.507 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1091 1 74 GLN H 1 75 PHE HA 5.130 . 5.130 5.042 4.796 5.141 0.011 39 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1092 1 74 GLN H 1 75 PHE QB 4.320 . 4.320 4.141 3.758 4.329 0.009 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1093 1 74 GLN H 1 75 PHE QD 5.020 . 5.020 4.374 3.901 4.905 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1094 1 74 GLN H 1 76 GLY H 4.350 . 4.350 3.757 3.300 4.069 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1095 1 74 GLN HA 1 74 GLN HE21 5.360 . 5.360 5.137 4.831 5.354 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1096 1 74 GLN HA 1 74 GLN QG 3.650 . 3.650 3.266 2.359 3.369 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1097 1 74 GLN HA 1 75 PHE H 3.570 . 3.570 3.565 3.508 3.591 0.021 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1098 1 74 GLN HA 1 76 GLY H 4.350 . 4.350 4.050 3.544 4.369 0.019 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1099 1 74 GLN QB 1 74 GLN HE22 4.370 . 4.370 3.682 3.462 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1100 1 74 GLN QB 1 74 GLN QG 2.370 . 2.370 2.092 2.063 2.102 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1101 1 74 GLN QB 1 75 PHE H 3.770 . 3.770 3.563 2.422 3.777 0.007 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1102 1 74 GLN QB 1 75 PHE QD 5.260 . 5.260 4.591 3.119 5.274 0.014 15 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1103 1 74 GLN QB 1 76 GLY H 5.340 . 5.340 4.974 4.187 5.286 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1104 1 74 GLN HE22 1 74 GLN QG 3.500 . 3.500 3.276 3.229 3.351 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1105 1 74 GLN QG 1 75 PHE H 4.040 . 4.040 2.666 2.394 3.643 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1106 1 74 GLN QG 1 75 PHE QB 5.100 . 5.100 3.900 3.576 5.155 0.055 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1107 1 74 GLN QG 1 75 PHE QD 5.160 . 5.160 3.003 2.187 5.165 0.005 18 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1108 1 74 GLN HG2 1 76 GLY H 5.500 . 5.500 5.160 4.896 5.524 0.024 13 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1109 1 74 GLN HG3 1 76 GLY H 5.500 . 5.500 5.157 4.855 5.387 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1110 1 75 PHE H 1 75 PHE HA 2.880 . 2.880 2.889 2.857 2.919 0.039 10 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1111 1 75 PHE H 1 75 PHE HB2 3.410 . 3.410 2.127 2.060 2.196 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1112 1 75 PHE H 1 75 PHE QB 2.730 . 2.730 2.108 2.044 2.173 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1113 1 75 PHE H 1 75 PHE HB3 3.410 . 3.410 3.430 3.407 3.473 0.063 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1114 1 75 PHE H 1 75 PHE QD 3.570 . 3.570 2.895 2.529 3.344 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1115 1 75 PHE H 1 76 GLY H 3.160 . 3.160 2.468 2.320 2.625 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1116 1 75 PHE H 1 76 GLY QA 4.700 . 4.700 4.389 4.285 4.540 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1117 1 75 PHE HA 1 75 PHE QD 3.610 . 3.610 2.815 2.080 3.068 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1118 1 75 PHE HA 1 76 GLY QA 4.990 . 4.990 4.412 4.250 4.482 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1119 1 75 PHE HA 1 77 ARG H 4.860 . 4.860 3.873 3.331 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1120 1 75 PHE QB 1 76 GLY H 3.340 . 3.340 2.876 2.632 3.210 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1121 1 75 PHE HB2 1 76 GLY H 3.830 . 3.830 3.054 2.775 3.453 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1122 1 75 PHE HB2 1 77 ARG H 5.450 . 5.450 4.657 2.904 5.355 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1123 1 75 PHE HB3 1 76 GLY H 3.830 . 3.830 3.522 3.135 3.844 0.014 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1124 1 75 PHE HB3 1 77 ARG H 5.450 . 5.450 4.582 2.318 5.456 0.006 35 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1125 1 75 PHE QD 1 76 GLY H 4.820 . 4.820 4.672 4.551 4.832 0.012 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1126 1 75 PHE QD 1 76 GLY QA 5.500 . 5.500 5.327 5.146 5.577 0.077 4 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1127 1 76 GLY H 1 76 GLY QA 2.640 . 2.640 2.227 2.203 2.321 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1128 1 76 GLY H 1 77 ARG H 3.390 . 3.390 2.662 2.310 3.393 0.003 25 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1129 1 76 GLY QA 1 77 ARG H 2.960 . 2.960 2.876 2.658 2.961 0.001 28 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1130 1 76 GLY QA 1 77 ARG HA 5.070 . 5.070 4.308 4.022 4.601 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1131 1 76 GLY QA 1 78 ALA H 5.040 . 5.040 3.563 3.048 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1132 1 77 ARG H 1 77 ARG QB 2.990 . 2.990 2.836 2.386 3.212 0.222 2 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1133 1 77 ARG H 1 77 ARG QD 5.500 . 5.500 4.273 3.102 5.022 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1134 1 77 ARG H 1 77 ARG QG 3.310 . 3.310 2.719 2.108 3.322 0.012 49 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1135 1 77 ARG H 1 78 ALA H 3.860 . 3.860 2.671 1.873 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1136 1 77 ARG H 1 78 ALA MB 4.580 . 4.580 4.326 3.549 4.668 0.088 42 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1137 1 77 ARG HA 1 77 ARG QG 3.370 . 3.370 2.707 2.045 3.387 0.017 44 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1138 1 77 ARG HA 1 78 ALA H 3.340 . 3.340 2.981 2.480 3.403 0.063 36 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1139 1 77 ARG QB 1 77 ARG QD 3.140 . 3.140 2.243 2.098 2.801 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1140 1 77 ARG QB 1 78 ALA H 3.980 . 3.980 3.743 1.918 4.020 0.040 1 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1141 1 77 ARG HB2 1 78 ALA H 4.720 . 4.720 4.092 1.948 4.489 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1142 1 77 ARG HB3 1 78 ALA H 4.720 . 4.720 4.376 2.859 4.608 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1143 1 77 ARG QG 1 78 ALA H 4.730 . 4.730 4.283 2.750 4.754 0.024 20 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1144 1 78 ALA H 1 78 ALA MB 3.260 . 3.260 2.398 2.204 2.915 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1145 1 78 ALA HA 1 80 SER H 4.260 . 4.260 3.817 3.214 4.271 0.011 8 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1146 1 78 ALA MB 1 79 GLY H 5.000 . 5.000 2.929 1.850 3.772 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1147 1 78 ALA MB 1 79 GLY QA 5.440 . 5.440 3.839 3.423 4.231 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1148 1 78 ALA MB 1 80 SER H 4.280 . 4.280 3.534 2.300 4.327 0.047 46 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1149 1 79 GLY H 1 80 SER H 4.200 . 4.200 2.933 2.114 3.920 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1150 1 79 GLY QA 1 80 SER H 3.060 . 3.060 2.706 2.300 2.948 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
1151 1 80 SER H 1 80 SER QB 3.510 . 3.510 2.844 2.276 3.459 . 0 0 "[ . 1 . 2 . 3 . 4 . 5]" 1
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