NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402007 |
1wcl   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wcl
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 846
_Distance_constraint_stats_list.Viol_count 1096
_Distance_constraint_stats_list.Viol_total 686.747
_Distance_constraint_stats_list.Viol_max 0.858
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0330
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 3 HIS 0.733 0.059 14 0 "[ . 1 . ]"
1 4 ALA 0.733 0.059 14 0 "[ . 1 . ]"
1 5 ALA 0.669 0.056 14 0 "[ . 1 . ]"
1 6 ILE 1.665 0.065 9 0 "[ . 1 . ]"
1 7 ASP 1.605 0.065 9 0 "[ . 1 . ]"
1 8 THR 2.374 0.072 7 0 "[ . 1 . ]"
1 9 PHE 3.402 0.072 7 0 "[ . 1 . ]"
1 10 THR 0.771 0.059 11 0 "[ . 1 . ]"
1 11 LYS 1.098 0.050 10 0 "[ . 1 . ]"
1 12 TYR 1.308 0.063 11 0 "[ . 1 . ]"
1 13 LEU 0.053 0.019 1 0 "[ . 1 . ]"
1 14 ASP 0.250 0.030 4 0 "[ . 1 . ]"
1 15 ILE 0.423 0.030 4 0 "[ . 1 . ]"
1 16 ASP 0.473 0.092 16 0 "[ . 1 . ]"
1 17 GLU 1.427 0.092 16 0 "[ . 1 . ]"
1 18 ASP 1.344 0.400 11 0 "[ . 1 . ]"
1 19 PHE 0.893 0.400 11 0 "[ . 1 . ]"
1 20 ALA 0.157 0.030 19 0 "[ . 1 . ]"
1 21 THR 0.655 0.062 10 0 "[ . 1 . ]"
1 22 VAL 1.227 0.069 19 0 "[ . 1 . ]"
1 23 LEU 0.478 0.036 14 0 "[ . 1 . ]"
1 24 VAL 0.561 0.062 10 0 "[ . 1 . ]"
1 25 GLU 1.921 0.069 19 0 "[ . 1 . ]"
1 26 GLU 0.625 0.055 5 0 "[ . 1 . ]"
1 27 GLY 0.123 0.055 5 0 "[ . 1 . ]"
1 28 PHE 0.182 0.022 19 0 "[ . 1 . ]"
1 29 SER 0.302 0.041 18 0 "[ . 1 . ]"
1 30 THR 0.316 0.055 12 0 "[ . 1 . ]"
1 31 LEU 0.194 0.035 2 0 "[ . 1 . ]"
1 32 GLU 1.597 0.426 6 0 "[ . 1 . ]"
1 33 GLU 0.772 0.065 4 0 "[ . 1 . ]"
1 34 LEU 2.295 0.065 4 0 "[ . 1 . ]"
1 35 ALA 2.510 0.063 8 0 "[ . 1 . ]"
1 36 TYR 1.224 0.063 18 0 "[ . 1 . ]"
1 37 VAL 3.145 0.735 18 1 "[ . 1 . + ]"
1 38 PRO 1.980 0.137 14 0 "[ . 1 . ]"
1 39 MET 2.336 0.137 14 0 "[ . 1 . ]"
1 40 LYS 0.507 0.051 12 0 "[ . 1 . ]"
1 41 GLU 4.357 0.735 18 1 "[ . 1 . + ]"
1 42 LEU 1.957 0.129 7 0 "[ . 1 . ]"
1 43 LEU 3.316 0.858 8 1 "[ . + 1 . ]"
1 44 GLU 1.110 0.047 1 0 "[ . 1 . ]"
1 45 ILE 1.426 0.051 12 0 "[ . 1 . ]"
1 46 GLU 1.861 0.105 19 0 "[ . 1 . ]"
1 47 GLY 1.178 0.060 19 0 "[ . 1 . ]"
1 48 LEU 1.337 0.105 19 0 "[ . 1 . ]"
1 49 ASP 1.232 0.808 8 1 "[ . + 1 . ]"
1 50 GLU 2.458 0.858 8 1 "[ . + 1 . ]"
1 51 PRO 0.053 0.011 5 0 "[ . 1 . ]"
1 52 THR 0.306 0.042 14 0 "[ . 1 . ]"
1 53 VAL 1.491 0.156 8 0 "[ . 1 . ]"
1 54 GLU 1.139 0.128 8 0 "[ . 1 . ]"
1 55 ALA 0.619 0.049 8 0 "[ . 1 . ]"
1 56 LEU 0.783 0.049 8 0 "[ . 1 . ]"
1 57 ARG 1.297 0.365 3 0 "[ . 1 . ]"
1 58 GLU 0.270 0.044 2 0 "[ . 1 . ]"
1 59 ARG 0.162 0.031 10 0 "[ . 1 . ]"
1 60 ALA 0.209 0.034 6 0 "[ . 1 . ]"
1 61 LYS 0.363 0.036 19 0 "[ . 1 . ]"
1 62 ASN 0.291 0.029 19 0 "[ . 1 . ]"
1 63 ALA 0.080 0.021 2 0 "[ . 1 . ]"
1 64 LEU 0.837 0.426 6 0 "[ . 1 . ]"
1 65 ALA 0.292 0.029 19 0 "[ . 1 . ]"
1 66 THR 0.674 0.038 12 0 "[ . 1 . ]"
1 67 ILE 0.266 0.033 10 0 "[ . 1 . ]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 69 GLN 0.394 0.038 12 0 "[ . 1 . ]"
1 70 ALA 0.200 0.049 15 0 "[ . 1 . ]"
1 71 GLN 0.188 0.049 15 0 "[ . 1 . ]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 74 SER 0.006 0.006 15 0 "[ . 1 . ]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 5 ALA MB 0.000 . 3.500 2.753 2.337 3.031 . 0 0 "[ . 1 . ]" 1
2 1 2 ALA H 1 3 HIS H 0.000 . 5.000 2.684 2.627 2.778 . 0 0 "[ . 1 . ]" 1
3 1 3 HIS HA 1 6 ILE HB 0.000 . 3.500 3.317 2.699 3.465 . 0 0 "[ . 1 . ]" 1
4 1 3 HIS H 1 4 ALA H 0.000 . 3.500 2.744 2.694 2.793 . 0 0 "[ . 1 . ]" 1
5 1 4 ALA HA 1 7 ASP QB 0.000 . 3.500 2.885 2.555 3.176 . 0 0 "[ . 1 . ]" 1
6 1 5 ALA HA 1 8 THR HB 0.000 . 3.500 2.711 2.255 3.468 . 0 0 "[ . 1 . ]" 1
7 1 5 ALA MB 1 6 ILE HA 0.000 . 5.000 3.855 3.781 3.908 . 0 0 "[ . 1 . ]" 1
8 1 5 ALA MB 1 9 PHE QE 0.000 . 5.000 3.756 3.117 4.337 . 0 0 "[ . 1 . ]" 1
9 1 5 ALA MB 1 9 PHE HZ 0.000 . 5.000 4.005 3.260 4.719 . 0 0 "[ . 1 . ]" 1
10 1 5 ALA MB 1 24 VAL QG 0.000 . 3.500 1.594 1.548 1.630 . 0 0 "[ . 1 . ]" 1
11 1 5 ALA MB 1 29 SER HA 0.000 . 3.500 2.385 1.911 2.745 . 0 0 "[ . 1 . ]" 1
12 1 5 ALA MB 1 29 SER HB3 0.000 . 3.500 3.279 2.873 3.508 0.008 15 0 "[ . 1 . ]" 1
13 1 5 ALA MB 1 29 SER HB2 0.000 . 3.500 2.233 1.731 2.701 . 0 0 "[ . 1 . ]" 1
14 1 5 ALA H 1 6 ILE H 0.000 . 5.000 2.617 2.528 2.781 . 0 0 "[ . 1 . ]" 1
15 1 6 ILE HA 1 9 PHE HB3 0.000 . 5.000 4.941 4.564 5.029 0.029 6 0 "[ . 1 . ]" 1
16 1 6 ILE HA 1 9 PHE HB2 0.000 . 5.000 3.304 2.932 3.393 . 0 0 "[ . 1 . ]" 1
17 1 6 ILE H 1 7 ASP H 0.000 . 5.000 2.586 2.354 2.762 . 0 0 "[ . 1 . ]" 1
18 1 6 ILE HA 1 7 ASP H 0.000 . 3.500 3.551 3.511 3.565 0.065 9 0 "[ . 1 . ]" 1
19 1 6 ILE HB 1 7 ASP H 0.000 . 3.500 2.484 2.252 2.787 . 0 0 "[ . 1 . ]" 1
20 1 7 ASP H 1 9 PHE H 0.000 . 5.000 4.495 4.337 4.648 . 0 0 "[ . 1 . ]" 1
21 1 7 ASP H 1 8 THR H 0.000 . 5.000 2.604 2.533 2.863 . 0 0 "[ . 1 . ]" 1
22 1 8 THR HA 1 11 LYS HB3 0.000 . 3.500 2.497 2.383 2.773 . 0 0 "[ . 1 . ]" 1
23 1 8 THR HA 1 11 LYS HB2 0.000 . 3.500 3.529 3.514 3.550 0.050 10 0 "[ . 1 . ]" 1
24 1 8 THR MG 1 31 LEU H 0.000 . 5.000 4.148 3.680 4.747 . 0 0 "[ . 1 . ]" 1
25 1 6 ILE HA 1 8 THR H 0.000 . 5.000 4.540 4.303 4.667 . 0 0 "[ . 1 . ]" 1
26 1 8 THR H 1 9 PHE H 0.000 . 3.500 2.948 2.830 3.086 . 0 0 "[ . 1 . ]" 1
27 1 9 PHE HB3 1 15 ILE MD 0.000 . 3.500 2.026 1.771 2.483 . 0 0 "[ . 1 . ]" 1
28 1 9 PHE HB2 1 15 ILE MD 0.000 . 3.500 2.659 2.166 3.319 . 0 0 "[ . 1 . ]" 1
29 1 9 PHE HB3 1 20 ALA MB 0.000 . 3.500 2.584 1.928 3.003 . 0 0 "[ . 1 . ]" 1
30 1 9 PHE HB2 1 20 ALA MB 0.000 . 3.500 1.823 1.697 1.955 . 0 0 "[ . 1 . ]" 1
31 1 8 THR HB 1 9 PHE H 0.000 . 3.500 2.182 2.021 2.338 . 0 0 "[ . 1 . ]" 1
32 1 9 PHE H 1 10 THR H 0.000 . 3.500 2.778 2.702 2.856 . 0 0 "[ . 1 . ]" 1
33 1 10 THR HA 1 15 ILE H 0.000 . 2.700 1.875 1.756 2.098 . 0 0 "[ . 1 . ]" 1
34 1 10 THR HB 1 15 ILE H 0.000 . 5.000 4.193 3.529 5.017 0.017 17 0 "[ . 1 . ]" 1
35 1 9 PHE QD 1 10 THR H 0.000 . 5.000 4.371 4.312 4.420 . 0 0 "[ . 1 . ]" 1
36 1 10 THR H 1 15 ILE H 0.000 . 5.000 4.550 4.374 4.771 . 0 0 "[ . 1 . ]" 1
37 1 10 THR H 1 11 LYS H 0.000 . 3.500 2.579 2.506 2.688 . 0 0 "[ . 1 . ]" 1
38 1 9 PHE H 1 11 LYS H 0.000 . 5.000 3.975 3.902 4.056 . 0 0 "[ . 1 . ]" 1
39 1 10 THR HA 1 11 LYS H 0.000 . 5.000 3.499 3.464 3.519 . 0 0 "[ . 1 . ]" 1
40 1 10 THR HB 1 11 LYS H 0.000 . 5.000 3.577 2.791 4.080 . 0 0 "[ . 1 . ]" 1
41 1 10 THR H 1 12 TYR H 0.000 . 5.000 4.072 4.013 4.128 . 0 0 "[ . 1 . ]" 1
42 1 9 PHE HA 1 13 LEU QD 0.000 . 3.500 1.867 1.672 2.468 . 0 0 "[ . 1 . ]" 1
43 1 12 TYR H 1 13 LEU QD 0.000 . 5.000 3.759 3.336 4.505 . 0 0 "[ . 1 . ]" 1
44 1 13 LEU QD 1 34 LEU QD 0.000 . 3.500 1.941 1.583 2.179 . 0 0 "[ . 1 . ]" 1
45 1 13 LEU QD 1 60 ALA MB 0.000 . 3.500 2.500 1.814 2.869 . 0 0 "[ . 1 . ]" 1
46 1 10 THR HA 1 13 LEU H 0.000 . 5.000 4.599 4.257 4.837 . 0 0 "[ . 1 . ]" 1
47 1 13 LEU H 1 14 ASP H 0.000 . 3.500 2.732 2.620 2.820 . 0 0 "[ . 1 . ]" 1
48 1 14 ASP H 1 15 ILE H 0.000 . 3.500 2.785 2.719 2.894 . 0 0 "[ . 1 . ]" 1
49 1 9 PHE HA 1 15 ILE MD 0.000 . 5.000 4.135 3.985 4.423 . 0 0 "[ . 1 . ]" 1
50 1 13 LEU HB3 1 15 ILE MD 0.000 . 5.000 3.167 2.693 4.128 . 0 0 "[ . 1 . ]" 1
51 1 13 LEU HB2 1 15 ILE MD 0.000 . 5.000 2.891 2.566 3.295 . 0 0 "[ . 1 . ]" 1
52 1 13 LEU QD 1 15 ILE MD 0.000 . 3.500 3.093 2.189 3.453 . 0 0 "[ . 1 . ]" 1
53 1 10 THR HA 1 15 ILE MD 0.000 . 5.000 3.603 2.769 4.060 . 0 0 "[ . 1 . ]" 1
54 1 15 ILE MD 1 16 ASP H 0.000 . 3.500 3.481 3.403 3.516 0.016 19 0 "[ . 1 . ]" 1
55 1 15 ILE MD 1 19 PHE QD 0.000 . 2.700 1.790 1.704 2.686 . 0 0 "[ . 1 . ]" 1
56 1 15 ILE MD 1 19 PHE QE 0.000 . 3.500 3.034 2.854 3.504 0.004 7 0 "[ . 1 . ]" 1
57 1 15 ILE MG 1 16 ASP H 0.000 . 3.500 3.390 3.271 3.495 . 0 0 "[ . 1 . ]" 1
58 1 13 LEU H 1 15 ILE H 0.000 . 5.000 4.571 4.281 4.760 . 0 0 "[ . 1 . ]" 1
59 1 17 GLU HA 1 20 ALA MB 0.000 . 3.500 2.563 2.237 2.863 . 0 0 "[ . 1 . ]" 1
60 1 16 ASP HA 1 17 GLU H 0.000 . 3.500 2.441 2.386 2.499 . 0 0 "[ . 1 . ]" 1
61 1 17 GLU H 1 18 ASP H 0.000 . 3.500 2.708 2.624 2.791 . 0 0 "[ . 1 . ]" 1
62 1 18 ASP HA 1 21 THR HB 0.000 . 5.000 3.832 3.210 4.747 . 0 0 "[ . 1 . ]" 1
63 1 16 ASP HB3 1 18 ASP H 0.000 . 5.000 3.239 3.035 4.320 . 0 0 "[ . 1 . ]" 1
64 1 16 ASP HB2 1 18 ASP H 0.000 . 5.000 3.342 2.566 4.589 . 0 0 "[ . 1 . ]" 1
65 1 17 GLU HA 1 18 ASP H 0.000 . 3.500 3.550 3.530 3.559 0.059 11 0 "[ . 1 . ]" 1
66 1 18 ASP H 1 19 PHE H 0.000 . 5.000 2.702 2.495 2.850 . 0 0 "[ . 1 . ]" 1
67 1 19 PHE HA 1 22 VAL HB 0.000 . 5.000 3.913 3.138 5.018 0.018 7 0 "[ . 1 . ]" 1
68 1 15 ILE HB 1 19 PHE H 0.000 . 5.000 4.476 4.331 4.616 . 0 0 "[ . 1 . ]" 1
69 1 18 ASP HB3 1 19 PHE H 0.000 . 5.000 3.667 2.775 3.908 . 0 0 "[ . 1 . ]" 1
70 1 19 PHE H 1 20 ALA H 0.000 . 5.000 2.573 2.497 2.676 . 0 0 "[ . 1 . ]" 1
71 1 15 ILE MD 1 20 ALA HA 0.000 . 3.500 1.985 1.794 2.239 . 0 0 "[ . 1 . ]" 1
72 1 20 ALA HA 1 23 LEU HB2 0.000 . 3.500 3.099 2.921 3.300 . 0 0 "[ . 1 . ]" 1
73 1 9 PHE QD 1 20 ALA MB 0.000 . 5.000 2.416 2.065 2.729 . 0 0 "[ . 1 . ]" 1
74 1 15 ILE MD 1 20 ALA H 0.000 . 3.500 2.153 1.769 2.438 . 0 0 "[ . 1 . ]" 1
75 1 19 PHE HB3 1 20 ALA H 0.000 . 5.000 2.317 2.187 2.476 . 0 0 "[ . 1 . ]" 1
76 1 19 PHE QD 1 20 ALA H 0.000 . 5.000 3.102 2.827 3.869 . 0 0 "[ . 1 . ]" 1
77 1 20 ALA H 1 22 VAL H 0.000 . 5.000 4.384 4.245 4.519 . 0 0 "[ . 1 . ]" 1
78 1 20 ALA H 1 23 LEU MD2 0.000 . 5.000 3.633 3.522 3.876 . 0 0 "[ . 1 . ]" 1
79 1 20 ALA H 1 21 THR H 0.000 . 5.000 2.917 2.817 2.995 . 0 0 "[ . 1 . ]" 1
80 1 21 THR HA 1 24 VAL HB 0.000 . 3.500 2.539 2.300 3.562 0.062 10 0 "[ . 1 . ]" 1
81 1 20 ALA MB 1 21 THR H 0.000 . 5.000 2.468 2.269 2.615 . 0 0 "[ . 1 . ]" 1
82 1 21 THR H 1 22 VAL H 0.000 . 3.500 2.920 2.886 2.981 . 0 0 "[ . 1 . ]" 1
83 1 22 VAL QG 1 23 LEU MD2 0.000 . 5.000 2.446 1.651 3.094 . 0 0 "[ . 1 . ]" 1
84 1 22 VAL H 1 23 LEU MD1 0.000 . 5.000 4.596 4.413 4.811 . 0 0 "[ . 1 . ]" 1
85 1 22 VAL H 1 23 LEU MD2 0.000 . 5.000 3.311 3.228 3.378 . 0 0 "[ . 1 . ]" 1
86 1 22 VAL H 1 23 LEU H 0.000 . 5.000 2.750 2.718 2.793 . 0 0 "[ . 1 . ]" 1
87 1 19 PHE HZ 1 23 LEU MD1 0.000 . 5.000 3.577 3.222 4.213 . 0 0 "[ . 1 . ]" 1
88 1 23 LEU MD1 1 45 ILE MD 0.000 . 3.500 2.775 1.999 3.484 . 0 0 "[ . 1 . ]" 1
89 1 9 PHE QD 1 23 LEU MD2 0.000 . 5.000 3.133 2.867 3.364 . 0 0 "[ . 1 . ]" 1
90 1 15 ILE MG 1 23 LEU MD2 0.000 . 5.000 3.820 3.525 4.139 . 0 0 "[ . 1 . ]" 1
91 1 19 PHE QD 1 23 LEU MD2 0.000 . 3.500 2.067 1.780 2.407 . 0 0 "[ . 1 . ]" 1
92 1 19 PHE QE 1 23 LEU MD2 0.000 . 3.500 2.069 1.939 2.341 . 0 0 "[ . 1 . ]" 1
93 1 20 ALA HA 1 23 LEU MD2 0.000 . 3.500 1.819 1.742 2.004 . 0 0 "[ . 1 . ]" 1
94 1 20 ALA MB 1 23 LEU MD2 0.000 . 5.000 3.274 3.201 3.390 . 0 0 "[ . 1 . ]" 1
95 1 19 PHE QD 1 23 LEU HG 0.000 . 5.000 4.323 4.005 5.006 0.006 11 0 "[ . 1 . ]" 1
96 1 19 PHE QE 1 23 LEU HG 0.000 . 5.000 3.191 2.915 4.076 . 0 0 "[ . 1 . ]" 1
97 1 19 PHE HZ 1 23 LEU HG 0.000 . 5.000 4.982 4.754 5.029 0.029 14 0 "[ . 1 . ]" 1
98 1 23 LEU H 1 24 VAL H 0.000 . 3.500 2.464 2.424 2.499 . 0 0 "[ . 1 . ]" 1
99 1 24 VAL HA 1 27 GLY H 0.000 . 5.000 3.299 3.242 3.349 . 0 0 "[ . 1 . ]" 1
100 1 5 ALA HA 1 24 VAL QG 0.000 . 3.500 3.442 3.401 3.479 . 0 0 "[ . 1 . ]" 1
101 1 9 PHE QD 1 24 VAL QG 0.000 . 3.500 2.512 2.323 2.981 . 0 0 "[ . 1 . ]" 1
102 1 9 PHE QE 1 24 VAL QG 0.000 . 3.500 1.806 1.689 2.074 . 0 0 "[ . 1 . ]" 1
103 1 21 THR HA 1 24 VAL QG 0.000 . 5.000 3.217 1.682 3.411 . 0 0 "[ . 1 . ]" 1
104 1 23 LEU MD2 1 24 VAL QG 0.000 . 5.000 4.116 3.403 4.346 . 0 0 "[ . 1 . ]" 1
105 1 22 VAL HA 1 24 VAL H 0.000 . 5.000 4.684 4.606 4.765 . 0 0 "[ . 1 . ]" 1
106 1 23 LEU MD1 1 24 VAL H 0.000 . 5.000 4.252 4.200 4.331 . 0 0 "[ . 1 . ]" 1
107 1 23 LEU MD2 1 24 VAL H 0.000 . 5.000 3.360 3.205 3.451 . 0 0 "[ . 1 . ]" 1
108 1 24 VAL H 1 25 GLU H 0.000 . 3.500 2.398 2.355 2.448 . 0 0 "[ . 1 . ]" 1
109 1 23 LEU MD1 1 25 GLU H 0.000 . 5.000 4.980 4.901 5.020 0.020 17 0 "[ . 1 . ]" 1
110 1 23 LEU MD2 1 25 GLU H 0.000 . 5.000 4.805 4.688 4.897 . 0 0 "[ . 1 . ]" 1
111 1 23 LEU H 1 25 GLU H 0.000 . 5.000 3.542 3.459 3.623 . 0 0 "[ . 1 . ]" 1
112 1 25 GLU H 1 26 GLU H 0.000 . 3.500 2.597 2.529 2.671 . 0 0 "[ . 1 . ]" 1
113 1 26 GLU H 1 27 GLY H 0.000 . 3.500 2.574 2.506 2.626 . 0 0 "[ . 1 . ]" 1
114 1 27 GLY HA3 1 28 PHE H 0.000 . 5.000 3.006 2.958 3.090 . 0 0 "[ . 1 . ]" 1
115 1 27 GLY HA2 1 28 PHE H 0.000 . 5.000 3.503 3.473 3.524 . 0 0 "[ . 1 . ]" 1
116 1 25 GLU H 1 27 GLY H 0.000 . 5.000 3.916 3.848 3.996 . 0 0 "[ . 1 . ]" 1
117 1 27 GLY H 1 28 PHE QD 0.000 . 5.000 2.864 2.486 3.351 . 0 0 "[ . 1 . ]" 1
118 1 27 GLY H 1 28 PHE H 0.000 . 3.500 1.791 1.739 1.846 . 0 0 "[ . 1 . ]" 1
119 1 28 PHE QD 1 34 LEU QD 0.000 . 5.000 2.620 2.349 3.152 . 0 0 "[ . 1 . ]" 1
120 1 28 PHE H 1 29 SER H 0.000 . 5.000 3.707 3.571 3.795 . 0 0 "[ . 1 . ]" 1
121 1 29 SER H 1 30 THR H 0.000 . 2.700 2.369 2.284 2.587 . 0 0 "[ . 1 . ]" 1
122 1 28 PHE QD 1 29 SER H 0.000 . 5.000 4.845 4.747 4.893 . 0 0 "[ . 1 . ]" 1
123 1 30 THR MG 1 31 LEU H 0.000 . 3.500 2.294 1.913 3.506 0.006 17 0 "[ . 1 . ]" 1
124 1 30 THR MG 1 32 GLU H 0.000 . 5.000 1.953 1.810 2.335 . 0 0 "[ . 1 . ]" 1
125 1 9 PHE HZ 1 30 THR H 0.000 . 3.500 2.890 2.525 3.041 . 0 0 "[ . 1 . ]" 1
126 1 29 SER HB3 1 30 THR H 0.000 . 5.000 4.283 4.210 4.396 . 0 0 "[ . 1 . ]" 1
127 1 9 PHE QE 1 31 LEU H 0.000 . 5.000 3.096 2.913 3.273 . 0 0 "[ . 1 . ]" 1
128 1 30 THR HA 1 31 LEU H 0.000 . 3.500 2.261 2.230 2.309 . 0 0 "[ . 1 . ]" 1
129 1 31 LEU H 1 33 GLU H 0.000 . 5.000 4.571 4.335 4.862 . 0 0 "[ . 1 . ]" 1
130 1 31 LEU H 1 32 GLU H 0.000 . 5.000 2.648 2.605 2.693 . 0 0 "[ . 1 . ]" 1
131 1 32 GLU HA 1 36 TYR QD 0.000 . 5.000 2.489 2.039 3.529 . 0 0 "[ . 1 . ]" 1
132 1 32 GLU HA 1 35 ALA MB 0.000 . 3.500 2.869 2.451 3.165 . 0 0 "[ . 1 . ]" 1
133 1 32 GLU HG3 1 36 TYR QD 0.000 . 5.000 4.577 3.455 5.035 0.035 12 0 "[ . 1 . ]" 1
134 1 32 GLU HG2 1 36 TYR QD 0.000 . 5.000 3.605 2.820 4.102 . 0 0 "[ . 1 . ]" 1
135 1 30 THR HB 1 32 GLU H 0.000 . 5.000 3.450 3.201 4.394 . 0 0 "[ . 1 . ]" 1
136 1 32 GLU H 1 64 LEU QD 0.000 . 3.500 2.902 2.433 3.432 . 0 0 "[ . 1 . ]" 1
137 1 32 GLU H 1 33 GLU H 0.000 . 3.500 2.800 2.609 3.041 . 0 0 "[ . 1 . ]" 1
138 1 30 THR HA 1 33 GLU H 0.000 . 5.000 4.765 4.457 5.022 0.022 18 0 "[ . 1 . ]" 1
139 1 30 THR HB 1 33 GLU H 0.000 . 5.000 2.854 2.201 4.459 . 0 0 "[ . 1 . ]" 1
140 1 32 GLU HA 1 33 GLU H 0.000 . 5.000 3.577 3.556 3.601 . 0 0 "[ . 1 . ]" 1
141 1 32 GLU HB2 1 33 GLU H 0.000 . 3.500 2.726 2.222 3.501 0.001 4 0 "[ . 1 . ]" 1
142 1 33 GLU H 1 34 LEU H 0.000 . 2.700 2.722 2.669 2.765 0.065 4 0 "[ . 1 . ]" 1
143 1 9 PHE QE 1 34 LEU QD 0.000 . 5.000 2.528 2.305 2.741 . 0 0 "[ . 1 . ]" 1
144 1 9 PHE HZ 1 34 LEU QD 0.000 . 5.000 2.626 2.224 3.017 . 0 0 "[ . 1 . ]" 1
145 1 34 LEU QD 1 35 ALA H 0.000 . 5.000 4.058 3.994 4.255 . 0 0 "[ . 1 . ]" 1
146 1 34 LEU QD 1 60 ALA MB 0.000 . 3.500 3.037 1.964 3.332 . 0 0 "[ . 1 . ]" 1
147 1 28 PHE H 1 34 LEU QD 0.000 . 5.000 4.393 4.060 4.675 . 0 0 "[ . 1 . ]" 1
148 1 32 GLU H 1 34 LEU H 0.000 . 5.000 4.147 4.076 4.229 . 0 0 "[ . 1 . ]" 1
149 1 34 LEU H 1 35 ALA H 0.000 . 2.700 2.685 2.625 2.742 0.042 4 0 "[ . 1 . ]" 1
150 1 35 ALA MB 1 61 LYS QD 0.000 . 5.000 2.482 1.812 4.026 . 0 0 "[ . 1 . ]" 1
151 1 35 ALA MB 1 61 LYS QE 0.000 . 3.500 2.438 1.795 3.534 0.034 18 0 "[ . 1 . ]" 1
152 1 35 ALA MB 1 61 LYS HG3 0.000 . 5.000 3.020 2.080 3.448 . 0 0 "[ . 1 . ]" 1
153 1 35 ALA MB 1 61 LYS HG2 0.000 . 3.500 1.800 1.684 2.271 . 0 0 "[ . 1 . ]" 1
154 1 35 ALA MB 1 36 TYR QD 0.000 . 5.000 2.469 2.098 3.509 . 0 0 "[ . 1 . ]" 1
155 1 35 ALA MB 1 36 TYR QE 0.000 . 3.500 3.113 2.638 3.563 0.063 18 0 "[ . 1 . ]" 1
156 1 34 LEU HB2 1 35 ALA H 0.000 . 3.500 2.740 2.464 3.534 0.034 4 0 "[ . 1 . ]" 1
157 1 35 ALA H 1 36 TYR H 0.000 . 2.700 2.421 2.101 2.519 . 0 0 "[ . 1 . ]" 1
158 1 32 GLU HA 1 36 TYR QE 0.000 . 3.500 2.447 2.176 3.022 . 0 0 "[ . 1 . ]" 1
159 1 32 GLU HB3 1 36 TYR QE 0.000 . 5.000 3.371 1.849 4.776 . 0 0 "[ . 1 . ]" 1
160 1 32 GLU HB2 1 36 TYR QE 0.000 . 5.000 4.237 3.359 4.661 . 0 0 "[ . 1 . ]" 1
161 1 32 GLU HG3 1 36 TYR QE 0.000 . 3.500 3.340 2.444 3.549 0.049 15 0 "[ . 1 . ]" 1
162 1 32 GLU HG2 1 36 TYR QE 0.000 . 3.500 2.243 1.979 3.366 . 0 0 "[ . 1 . ]" 1
163 1 32 GLU H 1 36 TYR QE 0.000 . 5.000 4.869 4.337 5.057 0.057 17 0 "[ . 1 . ]" 1
164 1 35 ALA MB 1 36 TYR H 0.000 . 3.500 2.729 2.486 2.825 . 0 0 "[ . 1 . ]" 1
165 1 36 TYR H 1 37 VAL H 0.000 . 2.700 2.500 2.247 2.641 . 0 0 "[ . 1 . ]" 1
166 1 36 TYR HB3 1 37 VAL H 0.000 . 5.000 3.736 3.547 4.180 . 0 0 "[ . 1 . ]" 1
167 1 37 VAL HA 1 38 PRO HD3 0.000 . 3.500 2.313 2.274 2.396 . 0 0 "[ . 1 . ]" 1
168 1 37 VAL HB 1 38 PRO HD3 0.000 . 5.000 4.713 4.606 4.920 . 0 0 "[ . 1 . ]" 1
169 1 37 VAL HA 1 38 PRO HD2 0.000 . 3.500 2.240 2.093 2.381 . 0 0 "[ . 1 . ]" 1
170 1 37 VAL HB 1 38 PRO HD2 0.000 . 5.000 3.850 3.725 4.080 . 0 0 "[ . 1 . ]" 1
171 1 39 MET HA 1 42 LEU HB3 0.000 . 5.000 3.808 2.748 4.529 . 0 0 "[ . 1 . ]" 1
172 1 39 MET HA 1 42 LEU HB2 0.000 . 5.000 3.202 2.594 4.080 . 0 0 "[ . 1 . ]" 1
173 1 38 PRO HA 1 39 MET H 0.000 . 5.000 2.343 2.298 2.390 . 0 0 "[ . 1 . ]" 1
174 1 39 MET H 1 40 LYS H 0.000 . 5.000 3.071 3.043 3.091 . 0 0 "[ . 1 . ]" 1
175 1 40 LYS HA 1 43 LEU HB2 0.000 . 3.500 3.518 3.482 3.551 0.051 12 0 "[ . 1 . ]" 1
176 1 39 MET H 1 41 GLU H 0.000 . 5.000 4.471 4.407 4.678 . 0 0 "[ . 1 . ]" 1
177 1 40 LYS HA 1 41 GLU H 0.000 . 5.000 3.596 3.589 3.604 . 0 0 "[ . 1 . ]" 1
178 1 37 VAL MG1 1 42 LEU QD 0.000 . 5.000 1.950 1.539 2.562 . 0 0 "[ . 1 . ]" 1
179 1 42 LEU QD 1 53 VAL MG2 0.000 . 5.000 3.809 3.096 4.267 . 0 0 "[ . 1 . ]" 1
180 1 42 LEU QD 1 53 VAL MG1 0.000 . 5.000 2.068 1.594 2.392 . 0 0 "[ . 1 . ]" 1
181 1 40 LYS H 1 42 LEU H 0.000 . 5.000 4.225 4.138 4.287 . 0 0 "[ . 1 . ]" 1
182 1 42 LEU H 1 43 LEU H 0.000 . 2.700 2.510 2.417 2.568 . 0 0 "[ . 1 . ]" 1
183 1 40 LYS HA 1 43 LEU H 0.000 . 5.000 3.234 3.074 3.460 . 0 0 "[ . 1 . ]" 1
184 1 42 LEU QD 1 43 LEU H 0.000 . 5.000 3.977 3.859 4.067 . 0 0 "[ . 1 . ]" 1
185 1 43 LEU H 1 44 GLU H 0.000 . 5.000 2.634 2.539 2.788 . 0 0 "[ . 1 . ]" 1
186 1 44 GLU H 1 45 ILE H 0.000 . 2.700 2.371 2.213 2.470 . 0 0 "[ . 1 . ]" 1
187 1 42 LEU QD 1 45 ILE MD 0.000 . 3.500 2.044 1.576 2.805 . 0 0 "[ . 1 . ]" 1
188 1 45 ILE H 1 46 GLU H 0.000 . 5.000 3.017 2.856 3.096 . 0 0 "[ . 1 . ]" 1
189 1 45 ILE HA 1 46 GLU H 0.000 . 3.500 3.533 3.500 3.551 0.051 12 0 "[ . 1 . ]" 1
190 1 45 ILE MG 1 46 GLU H 0.000 . 3.500 2.832 1.959 3.472 . 0 0 "[ . 1 . ]" 1
191 1 46 GLU H 1 47 GLY H 0.000 . 5.000 3.325 2.265 3.718 . 0 0 "[ . 1 . ]" 1
192 1 45 ILE MG 1 47 GLY H 0.000 . 5.000 4.115 3.226 4.494 . 0 0 "[ . 1 . ]" 1
193 1 47 GLY H 1 48 LEU H 0.000 . 2.700 2.588 1.998 2.718 0.018 6 0 "[ . 1 . ]" 1
194 1 19 PHE QD 1 48 LEU QD 0.000 . 5.000 4.159 3.470 4.647 . 0 0 "[ . 1 . ]" 1
195 1 19 PHE QE 1 48 LEU QD 0.000 . 3.500 2.695 1.918 3.195 . 0 0 "[ . 1 . ]" 1
196 1 19 PHE HZ 1 48 LEU QD 0.000 . 3.500 2.626 1.915 3.275 . 0 0 "[ . 1 . ]" 1
197 1 48 LEU QD 1 49 ASP H 0.000 . 5.000 3.456 3.194 4.162 . 0 0 "[ . 1 . ]" 1
198 1 45 ILE MG 1 48 LEU H 0.000 . 5.000 4.426 3.200 5.010 0.010 2 0 "[ . 1 . ]" 1
199 1 46 GLU HA 1 48 LEU H 0.000 . 5.000 4.987 4.850 5.105 0.105 19 0 "[ . 1 . ]" 1
200 1 47 GLY HA3 1 48 LEU H 0.000 . 3.500 2.817 2.755 2.895 . 0 0 "[ . 1 . ]" 1
201 1 47 GLY HA2 1 48 LEU H 0.000 . 3.500 3.545 3.525 3.556 0.056 1 0 "[ . 1 . ]" 1
202 1 48 LEU H 1 49 ASP H 0.000 . 5.000 4.656 4.633 4.670 . 0 0 "[ . 1 . ]" 1
203 1 48 LEU HA 1 49 ASP H 0.000 . 2.700 2.344 2.269 2.434 . 0 0 "[ . 1 . ]" 1
204 1 49 ASP H 1 52 THR HB 0.000 . 3.500 2.522 2.331 2.834 . 0 0 "[ . 1 . ]" 1
205 1 49 ASP H 1 52 THR MG 0.000 . 5.000 3.597 3.366 3.866 . 0 0 "[ . 1 . ]" 1
206 1 49 ASP H 1 52 THR H 0.000 . 5.000 4.017 3.484 4.276 . 0 0 "[ . 1 . ]" 1
207 1 49 ASP H 1 53 VAL H 0.000 . 5.000 4.026 3.781 4.344 . 0 0 "[ . 1 . ]" 1
208 1 49 ASP H 1 50 GLU H 0.000 . 5.000 4.625 4.574 4.637 . 0 0 "[ . 1 . ]" 1
209 1 43 LEU MD1 1 50 GLU H 0.000 . 3.500 2.712 2.407 4.358 0.858 8 1 "[ . + 1 . ]" 1
210 1 49 ASP HA 1 50 GLU H 0.000 . 3.500 2.376 2.325 2.430 . 0 0 "[ . 1 . ]" 1
211 1 50 GLU H 1 51 PRO HD3 0.000 . 5.000 2.960 2.861 3.049 . 0 0 "[ . 1 . ]" 1
212 1 50 GLU H 1 51 PRO HD2 0.000 . 5.000 2.049 1.993 2.134 . 0 0 "[ . 1 . ]" 1
213 1 50 GLU H 1 52 THR H 0.000 . 5.000 4.329 4.206 4.501 . 0 0 "[ . 1 . ]" 1
214 1 51 PRO HA 1 54 GLU QB 0.000 . 3.500 2.376 2.126 2.789 . 0 0 "[ . 1 . ]" 1
215 1 52 THR HA 1 55 ALA MB 0.000 . 3.500 3.034 2.748 3.385 . 0 0 "[ . 1 . ]" 1
216 1 51 PRO HB3 1 52 THR H 0.000 . 5.000 4.004 3.899 4.102 . 0 0 "[ . 1 . ]" 1
217 1 51 PRO HB2 1 52 THR H 0.000 . 5.000 3.047 2.867 3.202 . 0 0 "[ . 1 . ]" 1
218 1 51 PRO HD3 1 52 THR H 0.000 . 5.000 3.930 3.902 3.956 . 0 0 "[ . 1 . ]" 1
219 1 51 PRO HD2 1 52 THR H 0.000 . 5.000 2.811 2.766 2.885 . 0 0 "[ . 1 . ]" 1
220 1 52 THR H 1 54 GLU H 0.000 . 5.000 4.095 3.829 4.511 . 0 0 "[ . 1 . ]" 1
221 1 53 VAL HA 1 56 LEU HB2 0.000 . 3.500 3.259 2.800 3.514 0.014 19 0 "[ . 1 . ]" 1
222 1 50 GLU HA 1 53 VAL H 0.000 . 5.000 3.973 3.826 4.082 . 0 0 "[ . 1 . ]" 1
223 1 50 GLU H 1 53 VAL H 0.000 . 5.000 4.937 4.834 5.042 0.042 9 0 "[ . 1 . ]" 1
224 1 52 THR MG 1 53 VAL H 0.000 . 5.000 3.504 3.392 3.607 . 0 0 "[ . 1 . ]" 1
225 1 53 VAL H 1 54 GLU H 0.000 . 3.500 2.613 2.466 2.879 . 0 0 "[ . 1 . ]" 1
226 1 54 GLU HA 1 57 ARG QB 0.000 . 5.000 3.173 2.580 4.201 . 0 0 "[ . 1 . ]" 1
227 1 51 PRO HA 1 54 GLU H 0.000 . 5.000 3.402 3.225 3.655 . 0 0 "[ . 1 . ]" 1
228 1 53 VAL HA 1 54 GLU H 0.000 . 5.000 3.544 3.493 3.591 . 0 0 "[ . 1 . ]" 1
229 1 53 VAL HB 1 54 GLU H 0.000 . 3.500 2.603 2.183 2.897 . 0 0 "[ . 1 . ]" 1
230 1 53 VAL MG2 1 54 GLU H 0.000 . 3.500 3.556 3.480 3.628 0.128 8 0 "[ . 1 . ]" 1
231 1 53 VAL MG1 1 54 GLU H 0.000 . 5.000 3.786 3.450 3.973 . 0 0 "[ . 1 . ]" 1
232 1 54 GLU H 1 55 ALA MB 0.000 . 5.000 4.405 4.298 4.532 . 0 0 "[ . 1 . ]" 1
233 1 54 GLU H 1 55 ALA H 0.000 . 3.500 2.734 2.614 2.917 . 0 0 "[ . 1 . ]" 1
234 1 53 VAL HA 1 55 ALA H 0.000 . 5.000 4.457 4.368 4.577 . 0 0 "[ . 1 . ]" 1
235 1 55 ALA H 1 56 LEU H 0.000 . 3.500 2.535 2.440 2.658 . 0 0 "[ . 1 . ]" 1
236 1 56 LEU H 1 57 ARG H 0.000 . 5.000 2.699 2.581 2.768 . 0 0 "[ . 1 . ]" 1
237 1 57 ARG HA 1 60 ALA MB 0.000 . 3.500 2.410 2.190 2.850 . 0 0 "[ . 1 . ]" 1
238 1 59 ARG HA 1 62 ASN QB 0.000 . 3.500 2.305 1.915 2.795 . 0 0 "[ . 1 . ]" 1
239 1 59 ARG H 1 60 ALA H 0.000 . 3.500 2.681 2.595 2.817 . 0 0 "[ . 1 . ]" 1
240 1 60 ALA HA 1 63 ALA MB 0.000 . 3.500 2.792 2.445 3.408 . 0 0 "[ . 1 . ]" 1
241 1 58 GLU H 1 60 ALA H 0.000 . 5.000 4.270 4.006 4.357 . 0 0 "[ . 1 . ]" 1
242 1 60 ALA H 1 61 LYS H 0.000 . 3.500 3.053 2.771 3.309 . 0 0 "[ . 1 . ]" 1
243 1 61 LYS HA 1 64 LEU HB3 0.000 . 3.500 3.030 2.604 3.536 0.036 19 0 "[ . 1 . ]" 1
244 1 61 LYS HA 1 64 LEU HB2 0.000 . 3.500 2.817 1.942 3.516 0.016 16 0 "[ . 1 . ]" 1
245 1 61 LYS H 1 62 ASN H 0.000 . 3.500 2.856 2.752 2.982 . 0 0 "[ . 1 . ]" 1
246 1 62 ASN H 1 63 ALA H 0.000 . 5.000 2.892 2.750 3.079 . 0 0 "[ . 1 . ]" 1
247 1 63 ALA HA 1 66 THR HB 0.000 . 3.500 3.137 2.606 3.521 0.021 2 0 "[ . 1 . ]" 1
248 1 62 ASN HA 1 63 ALA H 0.000 . 5.000 3.566 3.547 3.593 . 0 0 "[ . 1 . ]" 1
249 1 63 ALA H 1 65 ALA H 0.000 . 5.000 4.131 4.004 4.330 . 0 0 "[ . 1 . ]" 1
250 1 63 ALA H 1 64 LEU H 0.000 . 3.500 2.630 2.540 2.772 . 0 0 "[ . 1 . ]" 1
251 1 64 LEU HA 1 67 ILE HB 0.000 . 5.000 3.517 2.390 4.034 . 0 0 "[ . 1 . ]" 1
252 1 64 LEU H 1 65 ALA H 0.000 . 5.000 2.685 2.562 2.780 . 0 0 "[ . 1 . ]" 1
253 1 65 ALA H 1 66 THR H 0.000 . 3.500 2.689 2.565 2.945 . 0 0 "[ . 1 . ]" 1
254 1 66 THR HA 1 69 GLN QB 0.000 . 3.500 2.655 1.940 3.298 . 0 0 "[ . 1 . ]" 1
255 1 66 THR H 1 67 ILE H 0.000 . 3.500 2.734 2.464 2.896 . 0 0 "[ . 1 . ]" 1
256 1 12 TYR QD 1 67 ILE MD 0.000 . 5.000 4.132 3.521 4.605 . 0 0 "[ . 1 . ]" 1
257 1 12 TYR QE 1 67 ILE MD 0.000 . 5.000 2.659 1.776 3.357 . 0 0 "[ . 1 . ]" 1
258 1 31 LEU QD 1 67 ILE MD 0.000 . 3.500 3.262 2.707 3.473 . 0 0 "[ . 1 . ]" 1
259 1 63 ALA MB 1 67 ILE MD 0.000 . 5.000 3.930 3.298 4.391 . 0 0 "[ . 1 . ]" 1
260 1 64 LEU QD 1 67 ILE MD 0.000 . 5.000 3.682 2.764 4.498 . 0 0 "[ . 1 . ]" 1
261 1 66 THR HA 1 67 ILE MD 0.000 . 5.000 4.934 4.464 5.012 0.012 8 0 "[ . 1 . ]" 1
262 1 66 THR H 1 67 ILE MD 0.000 . 5.000 4.459 3.371 4.803 . 0 0 "[ . 1 . ]" 1
263 1 67 ILE MD 1 68 ALA H 0.000 . 5.000 4.321 3.890 4.397 . 0 0 "[ . 1 . ]" 1
264 1 67 ILE H 1 68 ALA H 0.000 . 3.500 2.929 2.856 3.054 . 0 0 "[ . 1 . ]" 1
265 1 68 ALA H 1 69 GLN H 0.000 . 5.000 2.579 2.479 2.654 . 0 0 "[ . 1 . ]" 1
266 1 69 GLN H 1 70 ALA H 0.000 . 5.000 2.585 2.431 2.724 . 0 0 "[ . 1 . ]" 1
267 1 70 ALA HA 1 73 GLU QB 0.000 . 3.500 3.037 2.630 3.341 . 0 0 "[ . 1 . ]" 1
268 1 71 GLN HA 1 74 SER QB 0.000 . 3.500 3.188 2.687 3.506 0.006 15 0 "[ . 1 . ]" 1
269 1 71 GLN H 1 72 GLU H 0.000 . 3.500 2.732 2.638 2.858 . 0 0 "[ . 1 . ]" 1
270 1 74 SER H 1 75 LEU H 0.000 . 5.000 3.604 2.617 4.687 . 0 0 "[ . 1 . ]" 1
271 1 75 LEU H 1 76 GLY H 0.000 . 5.000 3.395 2.680 4.595 . 0 0 "[ . 1 . ]" 1
272 1 3 HIS H 1 5 ALA H 0.000 . 5.000 4.168 3.887 4.405 . 0 0 "[ . 1 . ]" 1
273 1 2 ALA HA 1 3 HIS H 0.000 . 5.000 3.519 3.476 3.544 . 0 0 "[ . 1 . ]" 1
274 1 3 HIS HA 1 4 ALA H 0.000 . 3.500 3.539 3.528 3.559 0.059 14 0 "[ . 1 . ]" 1
275 1 3 HIS HA 1 5 ALA H 0.000 . 5.000 4.240 4.029 4.819 . 0 0 "[ . 1 . ]" 1
276 1 4 ALA H 1 5 ALA H 0.000 . 3.500 2.624 2.526 2.851 . 0 0 "[ . 1 . ]" 1
277 1 5 ALA H 1 24 VAL QG 0.000 . 5.000 3.828 3.664 3.965 . 0 0 "[ . 1 . ]" 1
278 1 3 HIS HA 1 6 ILE H 0.000 . 5.000 3.488 3.364 3.937 . 0 0 "[ . 1 . ]" 1
279 1 5 ALA HA 1 6 ILE H 0.000 . 3.500 3.511 3.479 3.556 0.056 10 0 "[ . 1 . ]" 1
280 1 5 ALA MB 1 6 ILE H 0.000 . 3.500 2.723 2.456 2.822 . 0 0 "[ . 1 . ]" 1
281 1 6 ILE H 1 24 VAL QG 0.000 . 5.000 3.385 2.908 3.621 . 0 0 "[ . 1 . ]" 1
282 1 6 ILE HA 1 20 ALA MB 0.000 . 5.000 2.089 1.798 2.413 . 0 0 "[ . 1 . ]" 1
283 1 6 ILE HA 1 24 VAL QG 0.000 . 5.000 3.064 2.506 3.354 . 0 0 "[ . 1 . ]" 1
284 1 5 ALA MB 1 6 ILE MG 0.000 . 5.000 4.933 4.871 5.025 0.025 13 0 "[ . 1 . ]" 1
285 1 5 ALA MB 1 6 ILE MD 0.000 . 5.000 3.394 2.643 4.605 . 0 0 "[ . 1 . ]" 1
286 1 5 ALA HA 1 7 ASP H 0.000 . 5.000 4.563 4.288 4.780 . 0 0 "[ . 1 . ]" 1
287 1 5 ALA MB 1 7 ASP H 0.000 . 5.000 4.697 4.527 4.894 . 0 0 "[ . 1 . ]" 1
288 1 3 HIS HA 1 7 ASP H 0.000 . 5.000 4.556 3.603 4.858 . 0 0 "[ . 1 . ]" 1
289 1 5 ALA HA 1 8 THR H 0.000 . 3.500 3.519 3.503 3.556 0.056 14 0 "[ . 1 . ]" 1
290 1 7 ASP QB 1 8 THR H 0.000 . 3.500 2.569 2.393 2.679 . 0 0 "[ . 1 . ]" 1
291 1 8 THR HA 1 10 THR H 0.000 . 5.000 4.414 4.311 4.557 . 0 0 "[ . 1 . ]" 1
292 1 8 THR HA 1 9 PHE H 0.000 . 3.500 3.568 3.563 3.572 0.072 7 0 "[ . 1 . ]" 1
293 1 8 THR HA 1 11 LYS H 0.000 . 5.000 3.283 3.214 3.383 . 0 0 "[ . 1 . ]" 1
294 1 8 THR HA 1 12 TYR QD 0.000 . 3.500 3.005 2.805 3.435 . 0 0 "[ . 1 . ]" 1
295 1 8 THR HA 1 12 TYR QE 0.000 . 5.000 3.425 3.251 3.697 . 0 0 "[ . 1 . ]" 1
296 1 8 THR MG 1 9 PHE H 0.000 . 3.500 3.271 3.116 3.400 . 0 0 "[ . 1 . ]" 1
297 1 8 THR MG 1 11 LYS H 0.000 . 5.000 4.349 4.213 4.440 . 0 0 "[ . 1 . ]" 1
298 1 8 THR MG 1 12 TYR QD 0.000 . 3.500 2.207 1.831 2.846 . 0 0 "[ . 1 . ]" 1
299 1 8 THR MG 1 12 TYR QE 0.000 . 3.500 2.415 2.115 2.801 . 0 0 "[ . 1 . ]" 1
300 1 8 THR MG 1 12 TYR HB3 0.000 . 5.000 4.578 4.439 4.784 . 0 0 "[ . 1 . ]" 1
301 1 8 THR MG 1 12 TYR HB2 0.000 . 5.000 3.462 3.303 3.730 . 0 0 "[ . 1 . ]" 1
302 1 9 PHE H 1 12 TYR HB2 0.000 . 5.000 5.037 4.997 5.063 0.063 11 0 "[ . 1 . ]" 1
303 1 9 PHE HA 1 10 THR H 0.000 . 5.000 3.558 3.547 3.573 . 0 0 "[ . 1 . ]" 1
304 1 8 THR MG 1 9 PHE HA 0.000 . 5.000 3.604 3.446 3.762 . 0 0 "[ . 1 . ]" 1
305 1 9 PHE HA 1 31 LEU QD 0.000 . 5.000 3.187 2.479 3.929 . 0 0 "[ . 1 . ]" 1
306 1 9 PHE HB3 1 10 THR H 0.000 . 5.000 3.555 3.362 3.738 . 0 0 "[ . 1 . ]" 1
307 1 9 PHE HB2 1 10 THR H 0.000 . 5.000 2.580 2.447 2.674 . 0 0 "[ . 1 . ]" 1
308 1 9 PHE HB2 1 20 ALA HA 0.000 . 5.000 3.524 3.215 3.723 . 0 0 "[ . 1 . ]" 1
309 1 10 THR HA 1 12 TYR H 0.000 . 5.000 4.415 4.344 4.473 . 0 0 "[ . 1 . ]" 1
310 1 10 THR HA 1 14 ASP H 0.000 . 5.000 3.418 3.282 3.694 . 0 0 "[ . 1 . ]" 1
311 1 10 THR HA 1 15 ILE MG 0.000 . 5.000 4.400 4.033 4.632 . 0 0 "[ . 1 . ]" 1
312 1 10 THR HA 1 20 ALA MB 0.000 . 5.000 3.895 3.595 4.381 . 0 0 "[ . 1 . ]" 1
313 1 7 ASP HA 1 10 THR HA 0.000 . 5.000 5.034 5.019 5.059 0.059 11 0 "[ . 1 . ]" 1
314 1 11 LYS HA 1 12 TYR H 0.000 . 5.000 3.529 3.520 3.536 . 0 0 "[ . 1 . ]" 1
315 1 11 LYS HB3 1 12 TYR QD 0.000 . 5.000 2.504 1.965 2.817 . 0 0 "[ . 1 . ]" 1
316 1 11 LYS HB2 1 12 TYR QD 0.000 . 5.000 4.238 3.697 4.543 . 0 0 "[ . 1 . ]" 1
317 1 11 LYS HB3 1 12 TYR QE 0.000 . 5.000 3.271 2.810 3.525 . 0 0 "[ . 1 . ]" 1
318 1 11 LYS HB2 1 12 TYR QE 0.000 . 5.000 4.606 4.137 4.892 . 0 0 "[ . 1 . ]" 1
319 1 11 LYS HG3 1 12 TYR H 0.000 . 5.000 4.738 4.694 4.774 . 0 0 "[ . 1 . ]" 1
320 1 11 LYS HG2 1 12 TYR H 0.000 . 5.000 3.626 3.541 3.730 . 0 0 "[ . 1 . ]" 1
321 1 11 LYS HG3 1 12 TYR QD 0.000 . 5.000 4.742 4.265 4.986 . 0 0 "[ . 1 . ]" 1
322 1 11 LYS HG2 1 12 TYR QD 0.000 . 5.000 3.398 2.915 3.662 . 0 0 "[ . 1 . ]" 1
323 1 11 LYS HG3 1 12 TYR QE 0.000 . 5.000 4.715 4.398 4.949 . 0 0 "[ . 1 . ]" 1
324 1 11 LYS HG2 1 12 TYR QE 0.000 . 5.000 3.610 3.171 3.906 . 0 0 "[ . 1 . ]" 1
325 1 11 LYS HD3 1 12 TYR QD 0.000 . 5.000 3.300 3.212 3.377 . 0 0 "[ . 1 . ]" 1
326 1 11 LYS HD2 1 12 TYR QD 0.000 . 5.000 4.490 4.429 4.546 . 0 0 "[ . 1 . ]" 1
327 1 11 LYS HD3 1 12 TYR QE 0.000 . 3.500 2.008 1.836 2.265 . 0 0 "[ . 1 . ]" 1
328 1 11 LYS HD2 1 12 TYR QE 0.000 . 3.500 3.510 3.498 3.520 0.020 19 0 "[ . 1 . ]" 1
329 1 11 LYS HB3 1 12 TYR H 0.000 . 5.000 2.755 2.691 2.834 . 0 0 "[ . 1 . ]" 1
330 1 11 LYS HB2 1 12 TYR H 0.000 . 5.000 4.028 3.963 4.080 . 0 0 "[ . 1 . ]" 1
331 1 11 LYS H 1 12 TYR H 0.000 . 3.500 2.395 2.285 2.472 . 0 0 "[ . 1 . ]" 1
332 1 12 TYR HA 1 63 ALA MB 0.000 . 5.000 3.339 3.018 3.609 . 0 0 "[ . 1 . ]" 1
333 1 12 TYR HA 1 13 LEU H 0.000 . 5.000 3.589 3.576 3.597 . 0 0 "[ . 1 . ]" 1
334 1 11 LYS HG3 1 12 TYR HA 0.000 . 5.000 5.017 4.962 5.029 0.029 10 0 "[ . 1 . ]" 1
335 1 11 LYS HG2 1 12 TYR HA 0.000 . 5.000 3.520 3.429 3.620 . 0 0 "[ . 1 . ]" 1
336 1 12 TYR HA 1 13 LEU QD 0.000 . 5.000 4.308 3.888 4.832 . 0 0 "[ . 1 . ]" 1
337 1 12 TYR HB3 1 13 LEU H 0.000 . 5.000 3.060 2.851 3.269 . 0 0 "[ . 1 . ]" 1
338 1 12 TYR HB3 1 63 ALA MB 0.000 . 5.000 1.898 1.709 2.354 . 0 0 "[ . 1 . ]" 1
339 1 12 TYR HB3 1 31 LEU QD 0.000 . 5.000 2.304 1.997 2.651 . 0 0 "[ . 1 . ]" 1
340 1 12 TYR HB3 1 13 LEU QD 0.000 . 5.000 3.006 2.609 3.400 . 0 0 "[ . 1 . ]" 1
341 1 12 TYR HB2 1 13 LEU H 0.000 . 5.000 2.207 2.060 2.381 . 0 0 "[ . 1 . ]" 1
342 1 12 TYR HB2 1 63 ALA MB 0.000 . 5.000 3.215 2.885 3.767 . 0 0 "[ . 1 . ]" 1
343 1 12 TYR HB2 1 31 LEU QD 0.000 . 5.000 2.230 1.899 2.775 . 0 0 "[ . 1 . ]" 1
344 1 12 TYR HB2 1 13 LEU QD 0.000 . 5.000 2.645 2.089 3.517 . 0 0 "[ . 1 . ]" 1
345 1 13 LEU HA 1 59 ARG HD3 0.000 . 3.500 2.593 1.889 3.016 . 0 0 "[ . 1 . ]" 1
346 1 13 LEU HA 1 59 ARG HD2 0.000 . 3.500 2.313 1.864 2.584 . 0 0 "[ . 1 . ]" 1
347 1 13 LEU HA 1 14 ASP H 0.000 . 5.000 3.424 3.376 3.445 . 0 0 "[ . 1 . ]" 1
348 1 13 LEU HB3 1 14 ASP H 0.000 . 5.000 4.022 3.887 4.226 . 0 0 "[ . 1 . ]" 1
349 1 13 LEU HB2 1 14 ASP H 0.000 . 5.000 3.264 3.177 3.388 . 0 0 "[ . 1 . ]" 1
350 1 13 LEU QD 1 14 ASP H 0.000 . 5.000 3.846 3.644 4.233 . 0 0 "[ . 1 . ]" 1
351 1 13 LEU QD 1 60 ALA H 0.000 . 5.000 2.568 2.276 2.836 . 0 0 "[ . 1 . ]" 1
352 1 13 LEU QD 1 59 ARG HD3 0.000 . 5.000 3.573 3.027 4.108 . 0 0 "[ . 1 . ]" 1
353 1 13 LEU QD 1 59 ARG HD2 0.000 . 5.000 2.748 2.034 3.199 . 0 0 "[ . 1 . ]" 1
354 1 9 PHE HB3 1 13 LEU QD 0.000 . 3.500 2.012 1.725 2.323 . 0 0 "[ . 1 . ]" 1
355 1 9 PHE HB2 1 13 LEU QD 0.000 . 3.500 3.293 3.115 3.486 . 0 0 "[ . 1 . ]" 1
356 1 13 LEU QD 1 31 LEU QD 0.000 . 5.000 2.296 1.619 3.296 . 0 0 "[ . 1 . ]" 1
357 1 13 LEU QD 1 15 ILE MG 0.000 . 5.000 3.681 3.056 4.052 . 0 0 "[ . 1 . ]" 1
358 1 14 ASP H 1 59 ARG HD3 0.000 . 5.000 4.165 3.758 4.541 . 0 0 "[ . 1 . ]" 1
359 1 14 ASP H 1 59 ARG HD2 0.000 . 5.000 4.766 4.330 5.022 0.022 14 0 "[ . 1 . ]" 1
360 1 14 ASP H 1 15 ILE MG 0.000 . 5.000 4.312 4.063 4.593 . 0 0 "[ . 1 . ]" 1
361 1 14 ASP H 1 15 ILE MD 0.000 . 5.000 5.006 4.961 5.030 0.030 4 0 "[ . 1 . ]" 1
362 1 14 ASP HB2 1 59 ARG HD3 0.000 . 5.000 2.699 2.209 3.279 . 0 0 "[ . 1 . ]" 1
363 1 14 ASP HB2 1 59 ARG HD2 0.000 . 5.000 3.541 3.105 4.209 . 0 0 "[ . 1 . ]" 1
364 1 15 ILE H 1 16 ASP H 0.000 . 5.000 4.414 4.339 4.487 . 0 0 "[ . 1 . ]" 1
365 1 14 ASP HA 1 15 ILE H 0.000 . 3.500 2.702 2.633 2.754 . 0 0 "[ . 1 . ]" 1
366 1 14 ASP HB3 1 15 ILE H 0.000 . 5.000 4.419 4.390 4.438 . 0 0 "[ . 1 . ]" 1
367 1 14 ASP HB2 1 15 ILE H 0.000 . 5.000 4.317 4.269 4.376 . 0 0 "[ . 1 . ]" 1
368 1 13 LEU QD 1 15 ILE H 0.000 . 5.000 4.637 4.513 4.734 . 0 0 "[ . 1 . ]" 1
369 1 15 ILE H 1 20 ALA MB 0.000 . 5.000 4.713 4.388 5.022 0.022 19 0 "[ . 1 . ]" 1
370 1 15 ILE HB 1 19 PHE QD 0.000 . 5.000 2.817 1.882 3.305 . 0 0 "[ . 1 . ]" 1
371 1 15 ILE HB 1 19 PHE HB3 0.000 . 5.000 2.275 2.123 2.489 . 0 0 "[ . 1 . ]" 1
372 1 15 ILE HB 1 19 PHE HB2 0.000 . 5.000 3.622 3.255 3.931 . 0 0 "[ . 1 . ]" 1
373 1 15 ILE MG 1 19 PHE QD 0.000 . 3.500 2.881 2.076 3.216 . 0 0 "[ . 1 . ]" 1
374 1 15 ILE MG 1 19 PHE QE 0.000 . 3.500 3.126 2.299 3.524 0.024 9 0 "[ . 1 . ]" 1
375 1 15 ILE MG 1 19 PHE HB3 0.000 . 5.000 3.590 3.340 3.726 . 0 0 "[ . 1 . ]" 1
376 1 15 ILE MG 1 19 PHE HB2 0.000 . 5.000 4.375 4.111 4.639 . 0 0 "[ . 1 . ]" 1
377 1 53 VAL HA 1 56 LEU MD2 0.000 . 5.000 3.258 3.064 3.487 . 0 0 "[ . 1 . ]" 1
378 1 52 THR MG 1 56 LEU MD2 0.000 . 5.000 3.895 3.463 4.473 . 0 0 "[ . 1 . ]" 1
379 1 23 LEU MD2 1 56 LEU MD2 0.000 . 5.000 2.810 2.431 3.187 . 0 0 "[ . 1 . ]" 1
380 1 34 LEU QD 1 56 LEU MD2 0.000 . 5.000 2.631 2.184 3.162 . 0 0 "[ . 1 . ]" 1
381 1 15 ILE MD 1 19 PHE HB3 0.000 . 5.000 2.408 1.867 2.783 . 0 0 "[ . 1 . ]" 1
382 1 15 ILE MD 1 19 PHE HB2 0.000 . 5.000 3.953 3.504 4.280 . 0 0 "[ . 1 . ]" 1
383 1 15 ILE MD 1 20 ALA MB 0.000 . 3.500 1.826 1.638 1.954 . 0 0 "[ . 1 . ]" 1
384 1 9 PHE QD 1 15 ILE MD 0.000 . 3.500 3.273 2.964 3.513 0.013 7 0 "[ . 1 . ]" 1
385 1 16 ASP H 1 17 GLU H 0.000 . 5.000 4.593 4.510 4.675 . 0 0 "[ . 1 . ]" 1
386 1 16 ASP HB3 1 17 GLU H 0.000 . 3.500 2.652 2.454 3.592 0.092 16 0 "[ . 1 . ]" 1
387 1 16 ASP HB2 1 17 GLU H 0.000 . 3.500 3.462 2.531 3.577 0.077 16 0 "[ . 1 . ]" 1
388 1 10 THR MG 1 17 GLU HA 0.000 . 3.500 2.941 2.391 3.528 0.028 18 0 "[ . 1 . ]" 1
389 1 6 ILE MG 1 17 GLU HA 0.000 . 5.000 2.022 1.732 2.489 . 0 0 "[ . 1 . ]" 1
390 1 10 THR MG 1 17 GLU H 0.000 . 5.000 3.167 2.761 3.537 . 0 0 "[ . 1 . ]" 1
391 1 10 THR MG 1 16 ASP H 0.000 . 5.000 4.200 3.768 4.439 . 0 0 "[ . 1 . ]" 1
392 1 10 THR MG 1 15 ILE H 0.000 . 5.000 3.433 2.755 3.785 . 0 0 "[ . 1 . ]" 1
393 1 10 THR MG 1 17 GLU QG 0.000 . 5.000 3.002 2.266 4.515 . 0 0 "[ . 1 . ]" 1
394 1 6 ILE MG 1 10 THR MG 0.000 . 5.000 3.228 2.026 4.488 . 0 0 "[ . 1 . ]" 1
395 1 10 THR MG 1 15 ILE MD 0.000 . 5.000 3.534 2.846 4.367 . 0 0 "[ . 1 . ]" 1
396 1 10 THR MG 1 16 ASP HA 0.000 . 5.000 2.852 2.293 3.328 . 0 0 "[ . 1 . ]" 1
397 1 18 ASP HA 1 19 PHE H 0.000 . 5.000 3.525 3.486 3.560 . 0 0 "[ . 1 . ]" 1
398 1 18 ASP HB2 1 19 PHE H 0.000 . 3.500 2.902 2.664 3.900 0.400 11 0 "[ . 1 . ]" 1
399 1 19 PHE H 1 20 ALA MB 0.000 . 5.000 4.112 4.020 4.224 . 0 0 "[ . 1 . ]" 1
400 1 15 ILE MD 1 19 PHE H 0.000 . 5.000 4.065 3.511 4.371 . 0 0 "[ . 1 . ]" 1
401 1 9 PHE QD 1 20 ALA HA 0.000 . 5.000 2.713 2.528 2.887 . 0 0 "[ . 1 . ]" 1
402 1 10 THR MG 1 20 ALA MB 0.000 . 5.000 2.914 2.059 4.141 . 0 0 "[ . 1 . ]" 1
403 1 6 ILE MG 1 20 ALA MB 0.000 . 3.500 2.038 1.568 2.719 . 0 0 "[ . 1 . ]" 1
404 1 15 ILE MG 1 20 ALA MB 0.000 . 5.000 4.526 4.215 4.870 . 0 0 "[ . 1 . ]" 1
405 1 21 THR HA 1 25 GLU H 0.000 . 5.000 3.418 3.286 3.574 . 0 0 "[ . 1 . ]" 1
406 1 21 THR HA 1 24 VAL H 0.000 . 3.500 3.199 3.077 3.337 . 0 0 "[ . 1 . ]" 1
407 1 21 THR HA 1 22 VAL H 0.000 . 5.000 3.572 3.560 3.588 . 0 0 "[ . 1 . ]" 1
408 1 21 THR HA 1 23 LEU H 0.000 . 5.000 4.037 3.941 4.159 . 0 0 "[ . 1 . ]" 1
409 1 6 ILE HA 1 21 THR HA 0.000 . 5.000 4.118 3.673 4.681 . 0 0 "[ . 1 . ]" 1
410 1 20 ALA MB 1 21 THR HA 0.000 . 5.000 3.735 3.646 3.798 . 0 0 "[ . 1 . ]" 1
411 1 6 ILE MG 1 21 THR HA 0.000 . 5.000 3.472 3.042 3.922 . 0 0 "[ . 1 . ]" 1
412 1 6 ILE MD 1 21 THR HA 0.000 . 3.500 1.934 1.698 2.812 . 0 0 "[ . 1 . ]" 1
413 1 21 THR HB 1 22 VAL H 0.000 . 3.500 2.772 2.513 3.543 0.043 19 0 "[ . 1 . ]" 1
414 1 21 THR HB 1 22 VAL QG 0.000 . 5.000 3.403 2.975 4.261 . 0 0 "[ . 1 . ]" 1
415 1 21 THR HB 1 25 GLU H 0.000 . 5.000 4.782 4.298 4.971 . 0 0 "[ . 1 . ]" 1
416 1 21 THR HB 1 25 GLU HG3 0.000 . 3.500 3.297 2.321 3.510 0.010 14 0 "[ . 1 . ]" 1
417 1 21 THR HB 1 25 GLU HG2 0.000 . 3.500 3.474 2.686 3.542 0.042 16 0 "[ . 1 . ]" 1
418 1 6 ILE MD 1 21 THR HB 0.000 . 3.500 3.451 3.259 3.512 0.012 4 0 "[ . 1 . ]" 1
419 1 22 VAL H 1 24 VAL H 0.000 . 5.000 4.300 4.229 4.346 . 0 0 "[ . 1 . ]" 1
420 1 19 PHE QD 1 22 VAL H 0.000 . 5.000 4.880 4.050 4.985 . 0 0 "[ . 1 . ]" 1
421 1 19 PHE HA 1 22 VAL H 0.000 . 5.000 3.480 3.341 3.680 . 0 0 "[ . 1 . ]" 1
422 1 22 VAL HA 1 25 GLU H 0.000 . 3.500 3.493 3.426 3.531 0.031 19 0 "[ . 1 . ]" 1
423 1 22 VAL HA 1 23 LEU H 0.000 . 5.000 3.528 3.507 3.555 . 0 0 "[ . 1 . ]" 1
424 1 22 VAL HA 1 25 GLU HB3 0.000 . 3.500 3.551 3.534 3.569 0.069 19 0 "[ . 1 . ]" 1
425 1 22 VAL HA 1 25 GLU HB2 0.000 . 3.500 2.138 2.113 2.161 . 0 0 "[ . 1 . ]" 1
426 1 22 VAL HA 1 25 GLU HG3 0.000 . 5.000 3.404 3.087 3.868 . 0 0 "[ . 1 . ]" 1
427 1 22 VAL HA 1 25 GLU HG2 0.000 . 5.000 3.920 3.608 4.812 . 0 0 "[ . 1 . ]" 1
428 1 22 VAL QG 1 25 GLU H 0.000 . 5.000 4.313 4.197 4.376 . 0 0 "[ . 1 . ]" 1
429 1 22 VAL QG 1 23 LEU H 0.000 . 3.500 2.676 1.792 3.298 . 0 0 "[ . 1 . ]" 1
430 1 19 PHE QD 1 22 VAL QG 0.000 . 5.000 3.498 1.737 4.255 . 0 0 "[ . 1 . ]" 1
431 1 19 PHE HA 1 22 VAL QG 0.000 . 3.500 2.401 2.006 2.864 . 0 0 "[ . 1 . ]" 1
432 1 21 THR H 1 23 LEU H 0.000 . 5.000 4.214 4.139 4.335 . 0 0 "[ . 1 . ]" 1
433 1 19 PHE QD 1 23 LEU H 0.000 . 5.000 4.628 4.336 5.006 0.006 4 0 "[ . 1 . ]" 1
434 1 9 PHE QE 1 23 LEU H 0.000 . 5.000 4.580 4.351 4.757 . 0 0 "[ . 1 . ]" 1
435 1 22 VAL HB 1 23 LEU H 0.000 . 5.000 3.335 2.693 4.083 . 0 0 "[ . 1 . ]" 1
436 1 20 ALA HA 1 23 LEU H 0.000 . 3.500 3.339 3.266 3.467 . 0 0 "[ . 1 . ]" 1
437 1 19 PHE QD 1 23 LEU MD1 0.000 . 5.000 4.188 3.817 4.487 . 0 0 "[ . 1 . ]" 1
438 1 19 PHE QE 1 23 LEU MD1 0.000 . 3.500 2.983 2.679 3.319 . 0 0 "[ . 1 . ]" 1
439 1 23 LEU MD1 1 28 PHE QD 0.000 . 5.000 4.093 3.545 4.751 . 0 0 "[ . 1 . ]" 1
440 1 22 VAL QG 1 23 LEU MD1 0.000 . 5.000 2.221 1.818 2.685 . 0 0 "[ . 1 . ]" 1
441 1 23 LEU MD1 1 42 LEU QD 0.000 . 3.500 2.872 1.962 3.378 . 0 0 "[ . 1 . ]" 1
442 1 23 LEU MD1 1 34 LEU QD 0.000 . 5.000 2.775 2.517 3.182 . 0 0 "[ . 1 . ]" 1
443 1 23 LEU MD1 1 26 GLU HB3 0.000 . 5.000 4.479 4.029 5.036 0.036 14 0 "[ . 1 . ]" 1
444 1 23 LEU MD1 1 26 GLU HB2 0.000 . 5.000 4.273 3.890 4.642 . 0 0 "[ . 1 . ]" 1
445 1 22 VAL HB 1 23 LEU MD1 0.000 . 5.000 3.385 3.032 4.326 . 0 0 "[ . 1 . ]" 1
446 1 20 ALA HA 1 23 LEU MD1 0.000 . 5.000 4.448 4.335 4.596 . 0 0 "[ . 1 . ]" 1
447 1 23 LEU MD2 1 56 LEU MD1 0.000 . 5.000 3.006 2.382 3.536 . 0 0 "[ . 1 . ]" 1
448 1 15 ILE MD 1 23 LEU MD2 0.000 . 3.500 2.341 2.097 2.692 . 0 0 "[ . 1 . ]" 1
449 1 15 ILE MD 1 23 LEU MD1 0.000 . 5.000 4.459 4.272 4.959 . 0 0 "[ . 1 . ]" 1
450 1 24 VAL HA 1 25 GLU H 0.000 . 3.500 3.479 3.451 3.497 . 0 0 "[ . 1 . ]" 1
451 1 9 PHE QD 1 24 VAL HA 0.000 . 5.000 5.023 4.972 5.045 0.045 8 0 "[ . 1 . ]" 1
452 1 9 PHE QE 1 24 VAL HA 0.000 . 3.500 3.096 3.014 3.316 . 0 0 "[ . 1 . ]" 1
453 1 24 VAL HA 1 29 SER HA 0.000 . 5.000 3.143 2.920 3.337 . 0 0 "[ . 1 . ]" 1
454 1 24 VAL HA 1 29 SER HB3 0.000 . 5.000 3.711 3.142 4.015 . 0 0 "[ . 1 . ]" 1
455 1 24 VAL HA 1 29 SER HB2 0.000 . 5.000 4.729 4.241 4.961 . 0 0 "[ . 1 . ]" 1
456 1 5 ALA MB 1 24 VAL HA 0.000 . 5.000 4.129 3.847 4.298 . 0 0 "[ . 1 . ]" 1
457 1 24 VAL HB 1 25 GLU H 0.000 . 3.500 2.925 2.811 3.377 . 0 0 "[ . 1 . ]" 1
458 1 21 THR MG 1 24 VAL HB 0.000 . 5.000 3.575 3.131 4.242 . 0 0 "[ . 1 . ]" 1
459 1 6 ILE MD 1 21 THR MG 0.000 . 3.500 1.981 1.556 2.419 . 0 0 "[ . 1 . ]" 1
460 1 21 THR MG 1 25 GLU HG3 0.000 . 5.000 2.415 1.852 4.525 . 0 0 "[ . 1 . ]" 1
461 1 21 THR MG 1 25 GLU HG2 0.000 . 5.000 2.349 1.723 4.681 . 0 0 "[ . 1 . ]" 1
462 1 21 THR MG 1 25 GLU H 0.000 . 5.000 3.872 3.460 5.016 0.016 17 0 "[ . 1 . ]" 1
463 1 21 THR MG 1 24 VAL H 0.000 . 5.000 4.536 4.254 5.039 0.039 19 0 "[ . 1 . ]" 1
464 1 24 VAL QG 1 29 SER HA 0.000 . 5.000 1.766 1.655 1.898 . 0 0 "[ . 1 . ]" 1
465 1 24 VAL QG 1 25 GLU H 0.000 . 3.500 3.260 2.407 3.329 . 0 0 "[ . 1 . ]" 1
466 1 2 ALA HA 1 24 VAL QG 0.000 . 3.500 3.264 2.705 3.438 . 0 0 "[ . 1 . ]" 1
467 1 2 ALA MB 1 24 VAL QG 0.000 . 3.500 2.777 2.339 3.012 . 0 0 "[ . 1 . ]" 1
468 1 25 GLU HB3 1 26 GLU H 0.000 . 5.000 3.396 3.324 3.486 . 0 0 "[ . 1 . ]" 1
469 1 25 GLU HB2 1 26 GLU H 0.000 . 5.000 2.658 2.620 2.706 . 0 0 "[ . 1 . ]" 1
470 1 25 GLU HG3 1 26 GLU H 0.000 . 5.000 4.939 4.509 5.029 0.029 17 0 "[ . 1 . ]" 1
471 1 25 GLU HG2 1 26 GLU H 0.000 . 5.000 4.619 4.503 5.032 0.032 7 0 "[ . 1 . ]" 1
472 1 26 GLU H 1 28 PHE QD 0.000 . 5.000 3.914 3.722 4.373 . 0 0 "[ . 1 . ]" 1
473 1 25 GLU HA 1 26 GLU H 0.000 . 5.000 3.550 3.535 3.562 . 0 0 "[ . 1 . ]" 1
474 1 26 GLU HG3 1 45 ILE MD 0.000 . 5.000 3.522 2.438 4.569 . 0 0 "[ . 1 . ]" 1
475 1 26 GLU HG2 1 45 ILE MD 0.000 . 5.000 3.198 1.890 4.599 . 0 0 "[ . 1 . ]" 1
476 1 26 GLU HG3 1 27 GLY H 0.000 . 5.000 4.491 3.954 5.025 0.025 14 0 "[ . 1 . ]" 1
477 1 26 GLU HG2 1 27 GLY H 0.000 . 5.000 4.571 3.977 5.055 0.055 5 0 "[ . 1 . ]" 1
478 1 24 VAL QG 1 27 GLY H 0.000 . 5.000 4.138 4.066 4.404 . 0 0 "[ . 1 . ]" 1
479 1 26 GLU HA 1 27 GLY H 0.000 . 5.000 3.524 3.504 3.543 . 0 0 "[ . 1 . ]" 1
480 1 25 GLU H 1 28 PHE H 0.000 . 5.000 4.470 4.409 4.617 . 0 0 "[ . 1 . ]" 1
481 1 28 PHE HA 1 34 LEU QD 0.000 . 5.000 3.868 3.557 4.223 . 0 0 "[ . 1 . ]" 1
482 1 28 PHE HB3 1 34 LEU QD 0.000 . 3.500 1.966 1.701 2.393 . 0 0 "[ . 1 . ]" 1
483 1 28 PHE HB2 1 34 LEU QD 0.000 . 3.500 2.382 1.936 2.715 . 0 0 "[ . 1 . ]" 1
484 1 23 LEU MD1 1 28 PHE HB3 0.000 . 5.000 4.837 4.528 5.018 0.018 17 0 "[ . 1 . ]" 1
485 1 23 LEU MD1 1 28 PHE HB2 0.000 . 5.000 3.916 3.656 4.090 . 0 0 "[ . 1 . ]" 1
486 1 28 PHE HB3 1 29 SER H 0.000 . 5.000 4.169 4.135 4.227 . 0 0 "[ . 1 . ]" 1
487 1 28 PHE HB2 1 29 SER H 0.000 . 5.000 4.499 4.469 4.518 . 0 0 "[ . 1 . ]" 1
488 1 29 SER HB2 1 30 THR H 0.000 . 5.000 4.381 4.292 4.464 . 0 0 "[ . 1 . ]" 1
489 1 30 THR H 1 32 GLU H 0.000 . 5.000 4.974 4.871 5.055 0.055 12 0 "[ . 1 . ]" 1
490 1 30 THR H 1 31 LEU H 0.000 . 5.000 4.467 4.454 4.478 . 0 0 "[ . 1 . ]" 1
491 1 9 PHE HZ 1 31 LEU H 0.000 . 5.000 4.633 4.474 4.813 . 0 0 "[ . 1 . ]" 1
492 1 30 THR HB 1 31 LEU H 0.000 . 5.000 3.995 3.862 4.228 . 0 0 "[ . 1 . ]" 1
493 1 31 LEU HA 1 32 GLU H 0.000 . 5.000 3.496 3.478 3.514 . 0 0 "[ . 1 . ]" 1
494 1 31 LEU HA 1 60 ALA MB 0.000 . 5.000 3.328 2.641 4.024 . 0 0 "[ . 1 . ]" 1
495 1 31 LEU HA 1 34 LEU QD 0.000 . 5.000 2.810 2.512 3.021 . 0 0 "[ . 1 . ]" 1
496 1 31 LEU HB3 1 32 GLU H 0.000 . 5.000 3.854 3.756 3.985 . 0 0 "[ . 1 . ]" 1
497 1 31 LEU HB2 1 32 GLU H 0.000 . 5.000 2.918 2.854 2.999 . 0 0 "[ . 1 . ]" 1
498 1 31 LEU QD 1 32 GLU H 0.000 . 5.000 3.924 3.600 4.233 . 0 0 "[ . 1 . ]" 1
499 1 31 LEU QD 1 63 ALA H 0.000 . 5.000 4.009 3.653 4.466 . 0 0 "[ . 1 . ]" 1
500 1 12 TYR QE 1 31 LEU QD 0.000 . 5.000 3.314 2.745 3.612 . 0 0 "[ . 1 . ]" 1
501 1 8 THR MG 1 31 LEU QD 0.000 . 3.500 2.279 1.631 2.977 . 0 0 "[ . 1 . ]" 1
502 1 31 LEU QD 1 63 ALA MB 0.000 . 5.000 1.750 1.596 2.362 . 0 0 "[ . 1 . ]" 1
503 1 12 TYR QD 1 31 LEU QD 0.000 . 3.500 2.571 1.864 2.823 . 0 0 "[ . 1 . ]" 1
504 1 30 THR HA 1 32 GLU H 0.000 . 5.000 3.891 3.799 4.006 . 0 0 "[ . 1 . ]" 1
505 1 32 GLU HA 1 35 ALA H 0.000 . 3.500 3.450 3.369 3.542 0.042 14 0 "[ . 1 . ]" 1
506 1 32 GLU HG3 1 64 LEU QD 0.000 . 5.000 2.079 1.701 2.773 . 0 0 "[ . 1 . ]" 1
507 1 32 GLU HG2 1 64 LEU QD 0.000 . 3.500 2.380 1.789 3.926 0.426 6 0 "[ . 1 . ]" 1
508 1 33 GLU HB3 1 34 LEU H 0.000 . 5.000 3.548 2.441 3.672 . 0 0 "[ . 1 . ]" 1
509 1 33 GLU HB2 1 34 LEU H 0.000 . 5.000 2.560 2.374 3.663 . 0 0 "[ . 1 . ]" 1
510 1 34 LEU H 1 36 TYR H 0.000 . 5.000 4.028 3.917 4.434 . 0 0 "[ . 1 . ]" 1
511 1 33 GLU HA 1 34 LEU H 0.000 . 5.000 3.560 3.554 3.564 . 0 0 "[ . 1 . ]" 1
512 1 31 LEU HA 1 34 LEU H 0.000 . 5.000 3.338 3.173 3.653 . 0 0 "[ . 1 . ]" 1
513 1 33 GLU QG 1 34 LEU H 0.000 . 5.000 3.912 3.770 4.053 . 0 0 "[ . 1 . ]" 1
514 1 34 LEU HA 1 35 ALA H 0.000 . 3.500 3.545 3.462 3.563 0.063 8 0 "[ . 1 . ]" 1
515 1 34 LEU HB3 1 35 ALA H 0.000 . 3.500 3.427 2.591 3.561 0.061 13 0 "[ . 1 . ]" 1
516 1 34 LEU HB3 1 60 ALA MB 0.000 . 3.500 2.432 1.865 2.703 . 0 0 "[ . 1 . ]" 1
517 1 34 LEU HB2 1 60 ALA MB 0.000 . 3.500 2.578 2.095 3.475 . 0 0 "[ . 1 . ]" 1
518 1 31 LEU H 1 34 LEU QD 0.000 . 5.000 4.586 4.201 4.850 . 0 0 "[ . 1 . ]" 1
519 1 13 LEU H 1 34 LEU QD 0.000 . 5.000 4.892 4.550 4.959 . 0 0 "[ . 1 . ]" 1
520 1 9 PHE QD 1 34 LEU QD 0.000 . 5.000 2.980 2.647 3.226 . 0 0 "[ . 1 . ]" 1
521 1 31 LEU QD 1 34 LEU QD 0.000 . 5.000 3.060 2.196 3.933 . 0 0 "[ . 1 . ]" 1
522 1 23 LEU HA 1 34 LEU QD 0.000 . 5.000 3.466 3.297 3.685 . 0 0 "[ . 1 . ]" 1
523 1 23 LEU H 1 34 LEU QD 0.000 . 5.000 4.598 4.470 4.685 . 0 0 "[ . 1 . ]" 1
524 1 34 LEU QD 1 56 LEU MD1 0.000 . 5.000 3.177 2.704 3.787 . 0 0 "[ . 1 . ]" 1
525 1 34 LEU QD 1 42 LEU QD 0.000 . 3.500 2.496 2.022 3.129 . 0 0 "[ . 1 . ]" 1
526 1 34 LEU QD 1 45 ILE MD 0.000 . 5.000 3.948 3.217 4.416 . 0 0 "[ . 1 . ]" 1
527 1 34 LEU QD 1 37 VAL MG1 0.000 . 5.000 3.123 2.805 4.146 . 0 0 "[ . 1 . ]" 1
528 1 35 ALA H 1 60 ALA MB 0.000 . 5.000 2.340 1.994 2.774 . 0 0 "[ . 1 . ]" 1
529 1 35 ALA HA 1 57 ARG QD 0.000 . 5.000 4.318 3.794 5.036 0.036 18 0 "[ . 1 . ]" 1
530 1 35 ALA HA 1 60 ALA MB 0.000 . 5.000 2.176 1.880 2.627 . 0 0 "[ . 1 . ]" 1
531 1 32 GLU HG2 1 35 ALA MB 0.000 . 5.000 4.529 4.303 4.861 . 0 0 "[ . 1 . ]" 1
532 1 34 LEU HA 1 36 TYR H 0.000 . 5.000 4.674 4.500 5.021 0.021 18 0 "[ . 1 . ]" 1
533 1 32 GLU HA 1 36 TYR H 0.000 . 5.000 3.336 3.113 3.797 . 0 0 "[ . 1 . ]" 1
534 1 33 GLU HA 1 36 TYR H 0.000 . 5.000 3.553 3.053 3.748 . 0 0 "[ . 1 . ]" 1
535 1 36 TYR HA 1 37 VAL H 0.000 . 5.000 3.522 3.430 3.549 . 0 0 "[ . 1 . ]" 1
536 1 36 TYR HB2 1 37 VAL H 0.000 . 5.000 2.830 2.657 3.152 . 0 0 "[ . 1 . ]" 1
537 1 34 LEU HA 1 37 VAL MG2 0.000 . 5.000 4.402 4.091 4.651 . 0 0 "[ . 1 . ]" 1
538 1 37 VAL MG2 1 38 PRO HD3 0.000 . 5.000 3.164 3.031 3.501 . 0 0 "[ . 1 . ]" 1
539 1 37 VAL MG2 1 38 PRO HD2 0.000 . 5.000 1.865 1.721 2.476 . 0 0 "[ . 1 . ]" 1
540 1 37 VAL MG2 1 57 ARG QD 0.000 . 5.000 4.444 3.996 5.365 0.365 3 0 "[ . 1 . ]" 1
541 1 37 VAL MG2 1 42 LEU QD 0.000 . 5.000 2.520 1.810 3.194 . 0 0 "[ . 1 . ]" 1
542 1 34 LEU QD 1 37 VAL MG2 0.000 . 5.000 4.540 4.284 4.729 . 0 0 "[ . 1 . ]" 1
543 1 38 PRO HG3 1 39 MET H 0.000 . 5.000 5.100 5.059 5.137 0.137 14 0 "[ . 1 . ]" 1
544 1 38 PRO HG2 1 39 MET H 0.000 . 5.000 4.444 4.387 4.490 . 0 0 "[ . 1 . ]" 1
545 1 39 MET H 1 57 ARG QD 0.000 . 5.000 3.328 2.826 3.809 . 0 0 "[ . 1 . ]" 1
546 1 39 MET HA 1 57 ARG QD 0.000 . 5.000 2.033 1.839 2.313 . 0 0 "[ . 1 . ]" 1
547 1 39 MET HA 1 40 LYS H 0.000 . 5.000 3.586 3.572 3.594 . 0 0 "[ . 1 . ]" 1
548 1 39 MET QG 1 40 LYS H 0.000 . 5.000 3.727 3.419 4.170 . 0 0 "[ . 1 . ]" 1
549 1 39 MET QG 1 57 ARG QD 0.000 . 5.000 3.384 2.987 3.940 . 0 0 "[ . 1 . ]" 1
550 1 39 MET QG 1 53 VAL MG1 0.000 . 5.000 2.710 1.884 3.738 . 0 0 "[ . 1 . ]" 1
551 1 39 MET ME 1 50 GLU H 0.000 . 5.000 4.851 4.695 5.018 0.018 8 0 "[ . 1 . ]" 1
552 1 39 MET ME 1 40 LYS H 0.000 . 3.500 2.904 2.479 3.161 . 0 0 "[ . 1 . ]" 1
553 1 39 MET ME 1 57 ARG HE 0.000 . 5.000 4.835 4.676 4.987 . 0 0 "[ . 1 . ]" 1
554 1 39 MET ME 1 50 GLU HA 0.000 . 2.700 2.697 2.644 2.722 0.022 13 0 "[ . 1 . ]" 1
555 1 39 MET ME 1 57 ARG QD 0.000 . 5.000 4.947 4.700 5.022 0.022 15 0 "[ . 1 . ]" 1
556 1 39 MET ME 1 44 GLU HG3 0.000 . 5.000 4.147 3.983 4.478 . 0 0 "[ . 1 . ]" 1
557 1 39 MET ME 1 44 GLU HG2 0.000 . 5.000 5.005 4.961 5.031 0.031 7 0 "[ . 1 . ]" 1
558 1 39 MET ME 1 43 LEU MD1 0.000 . 5.000 2.138 1.819 3.200 . 0 0 "[ . 1 . ]" 1
559 1 57 ARG QD 1 58 GLU H 0.000 . 5.000 4.934 4.090 5.044 0.044 2 0 "[ . 1 . ]" 1
560 1 54 GLU HA 1 57 ARG QD 0.000 . 5.000 4.248 3.013 4.557 . 0 0 "[ . 1 . ]" 1
561 1 42 LEU QD 1 57 ARG QD 0.000 . 3.500 2.287 1.793 2.920 . 0 0 "[ . 1 . ]" 1
562 1 53 VAL MG1 1 57 ARG QD 0.000 . 3.500 2.750 2.008 3.503 0.003 15 0 "[ . 1 . ]" 1
563 1 57 ARG HE 1 58 GLU H 0.000 . 5.000 4.795 4.404 5.010 0.010 3 0 "[ . 1 . ]" 1
564 1 53 VAL MG1 1 57 ARG HE 0.000 . 5.000 3.045 1.851 4.431 . 0 0 "[ . 1 . ]" 1
565 1 40 LYS H 1 41 GLU H 0.000 . 3.500 3.121 3.011 3.289 . 0 0 "[ . 1 . ]" 1
566 1 38 PRO HA 1 40 LYS H 0.000 . 5.000 4.964 4.875 5.034 0.034 3 0 "[ . 1 . ]" 1
567 1 40 LYS HA 1 42 LEU H 0.000 . 5.000 4.157 3.989 4.393 . 0 0 "[ . 1 . ]" 1
568 1 41 GLU H 1 42 LEU H 0.000 . 2.700 2.801 2.766 2.829 0.129 7 0 "[ . 1 . ]" 1
569 1 40 LYS HB3 1 41 GLU H 0.000 . 3.500 3.173 2.073 3.444 . 0 0 "[ . 1 . ]" 1
570 1 40 LYS HB2 1 41 GLU H 0.000 . 3.500 2.550 2.290 3.543 0.043 13 0 "[ . 1 . ]" 1
571 1 41 GLU HA 1 42 LEU H 0.000 . 5.000 3.526 3.510 3.545 . 0 0 "[ . 1 . ]" 1
572 1 37 VAL MG1 1 41 GLU HB3 0.000 . 5.000 4.011 2.283 4.679 . 0 0 "[ . 1 . ]" 1
573 1 37 VAL MG1 1 41 GLU HB2 0.000 . 5.000 4.413 1.948 5.735 0.735 18 1 "[ . 1 . + ]" 1
574 1 37 VAL MG1 1 42 LEU H 0.000 . 5.000 3.936 3.015 4.336 . 0 0 "[ . 1 . ]" 1
575 1 37 VAL MG2 1 42 LEU H 0.000 . 5.000 3.344 2.843 5.043 0.043 15 0 "[ . 1 . ]" 1
576 1 41 GLU QG 1 42 LEU H 0.000 . 5.000 4.032 3.597 4.287 . 0 0 "[ . 1 . ]" 1
577 1 41 GLU HB3 1 42 LEU H 0.000 . 5.000 3.147 2.558 3.667 . 0 0 "[ . 1 . ]" 1
578 1 41 GLU HB2 1 42 LEU H 0.000 . 5.000 3.213 2.634 3.921 . 0 0 "[ . 1 . ]" 1
579 1 42 LEU HB3 1 43 LEU H 0.000 . 5.000 3.051 2.304 3.529 . 0 0 "[ . 1 . ]" 1
580 1 42 LEU HB2 1 43 LEU H 0.000 . 5.000 3.011 2.382 3.873 . 0 0 "[ . 1 . ]" 1
581 1 42 LEU QD 1 57 ARG HE 0.000 . 5.000 3.950 3.397 4.893 . 0 0 "[ . 1 . ]" 1
582 1 34 LEU HA 1 42 LEU QD 0.000 . 5.000 2.820 2.367 3.381 . 0 0 "[ . 1 . ]" 1
583 1 37 VAL HB 1 42 LEU QD 0.000 . 5.000 3.758 2.825 4.511 . 0 0 "[ . 1 . ]" 1
584 1 42 LEU QD 1 45 ILE MG 0.000 . 5.000 3.367 1.838 4.273 . 0 0 "[ . 1 . ]" 1
585 1 42 LEU HA 1 43 LEU H 0.000 . 5.000 3.573 3.553 3.588 . 0 0 "[ . 1 . ]" 1
586 1 43 LEU HA 1 44 GLU H 0.000 . 3.500 3.503 3.469 3.525 0.025 19 0 "[ . 1 . ]" 1
587 1 43 LEU HA 1 53 VAL MG2 0.000 . 5.000 2.027 1.785 2.386 . 0 0 "[ . 1 . ]" 1
588 1 40 LYS HA 1 43 LEU HB3 0.000 . 3.500 2.307 2.118 2.538 . 0 0 "[ . 1 . ]" 1
589 1 43 LEU HB3 1 44 GLU H 0.000 . 5.000 2.871 2.735 2.986 . 0 0 "[ . 1 . ]" 1
590 1 43 LEU HB2 1 44 GLU H 0.000 . 5.000 4.018 3.942 4.126 . 0 0 "[ . 1 . ]" 1
591 1 43 LEU MD1 1 44 GLU H 0.000 . 5.000 4.852 3.107 5.047 0.047 1 0 "[ . 1 . ]" 1
592 1 43 LEU MD1 1 49 ASP HA 0.000 . 3.500 2.689 2.085 4.308 0.808 8 1 "[ . + 1 . ]" 1
593 1 44 GLU HA 1 45 ILE H 0.000 . 5.000 3.464 3.417 3.495 . 0 0 "[ . 1 . ]" 1
594 1 44 GLU HB3 1 45 ILE H 0.000 . 5.000 3.995 3.873 4.168 . 0 0 "[ . 1 . ]" 1
595 1 44 GLU HB2 1 45 ILE H 0.000 . 5.000 3.025 2.934 3.216 . 0 0 "[ . 1 . ]" 1
596 1 44 GLU HG3 1 45 ILE H 0.000 . 5.000 4.353 4.134 4.525 . 0 0 "[ . 1 . ]" 1
597 1 44 GLU HG2 1 45 ILE H 0.000 . 5.000 4.986 4.797 5.039 0.039 4 0 "[ . 1 . ]" 1
598 1 45 ILE HB 1 46 GLU H 0.000 . 5.000 3.276 2.730 4.023 . 0 0 "[ . 1 . ]" 1
599 1 45 ILE HB 1 48 LEU QD 0.000 . 5.000 3.019 2.048 4.538 . 0 0 "[ . 1 . ]" 1
600 1 45 ILE HG13 1 46 GLU H 0.000 . 5.000 4.689 4.393 5.013 0.013 7 0 "[ . 1 . ]" 1
601 1 45 ILE HG12 1 46 GLU H 0.000 . 5.000 4.725 4.242 5.041 0.041 15 0 "[ . 1 . ]" 1
602 1 45 ILE MD 1 46 GLU H 0.000 . 5.000 4.832 4.698 5.021 0.021 5 0 "[ . 1 . ]" 1
603 1 46 GLU HA 1 47 GLY H 0.000 . 3.500 3.470 3.347 3.560 0.060 19 0 "[ . 1 . ]" 1
604 1 46 GLU QB 1 47 GLY H 0.000 . 3.500 1.896 1.793 3.291 . 0 0 "[ . 1 . ]" 1
605 1 46 GLU QG 1 47 GLY H 0.000 . 3.500 2.109 1.751 2.618 . 0 0 "[ . 1 . ]" 1
606 1 46 GLU QB 1 48 LEU H 0.000 . 5.000 3.735 3.282 4.969 . 0 0 "[ . 1 . ]" 1
607 1 46 GLU QG 1 48 LEU H 0.000 . 5.000 4.437 3.287 4.782 . 0 0 "[ . 1 . ]" 1
608 1 48 LEU HA 1 53 VAL MG2 0.000 . 5.000 3.920 3.560 4.470 . 0 0 "[ . 1 . ]" 1
609 1 48 LEU HB3 1 49 ASP H 0.000 . 3.500 2.779 2.536 2.970 . 0 0 "[ . 1 . ]" 1
610 1 48 LEU HB2 1 49 ASP H 0.000 . 5.000 3.834 3.624 4.051 . 0 0 "[ . 1 . ]" 1
611 1 48 LEU HG 1 49 ASP H 0.000 . 5.000 4.837 3.938 5.024 0.024 1 0 "[ . 1 . ]" 1
612 1 43 LEU MD2 1 49 ASP HA 0.000 . 5.000 4.376 2.678 4.865 . 0 0 "[ . 1 . ]" 1
613 1 49 ASP HA 1 51 PRO HD3 0.000 . 5.000 4.922 4.864 5.007 0.007 1 0 "[ . 1 . ]" 1
614 1 49 ASP HA 1 51 PRO HD2 0.000 . 5.000 3.406 3.334 3.495 . 0 0 "[ . 1 . ]" 1
615 1 49 ASP HB3 1 50 GLU H 0.000 . 3.500 2.631 2.518 2.815 . 0 0 "[ . 1 . ]" 1
616 1 49 ASP HB2 1 50 GLU H 0.000 . 3.500 3.518 3.500 3.531 0.031 19 0 "[ . 1 . ]" 1
617 1 49 ASP HB3 1 51 PRO HD3 0.000 . 5.000 3.553 3.298 3.791 . 0 0 "[ . 1 . ]" 1
618 1 49 ASP HB2 1 51 PRO HD3 0.000 . 5.000 4.147 3.856 4.400 . 0 0 "[ . 1 . ]" 1
619 1 49 ASP HB3 1 51 PRO HD2 0.000 . 5.000 2.061 1.896 2.243 . 0 0 "[ . 1 . ]" 1
620 1 49 ASP HB2 1 51 PRO HD2 0.000 . 5.000 2.478 2.238 2.699 . 0 0 "[ . 1 . ]" 1
621 1 50 GLU HA 1 51 PRO HD2 0.000 . 5.000 3.761 3.738 3.787 . 0 0 "[ . 1 . ]" 1
622 1 50 GLU HA 1 52 THR H 0.000 . 5.000 4.786 4.568 5.018 0.018 16 0 "[ . 1 . ]" 1
623 1 50 GLU HA 1 53 VAL MG1 0.000 . 5.000 4.721 4.590 4.811 . 0 0 "[ . 1 . ]" 1
624 1 43 LEU MD1 1 50 GLU HA 0.000 . 3.500 1.947 1.738 3.819 0.319 8 0 "[ . 1 . ]" 1
625 1 50 GLU HA 1 53 VAL HB 0.000 . 3.500 3.473 3.370 3.526 0.026 5 0 "[ . 1 . ]" 1
626 1 50 GLU HA 1 53 VAL MG2 0.000 . 3.500 3.098 2.534 3.506 0.006 8 0 "[ . 1 . ]" 1
627 1 50 GLU QB 1 51 PRO HD3 0.000 . 3.500 2.035 1.809 2.339 . 0 0 "[ . 1 . ]" 1
628 1 50 GLU QB 1 51 PRO HD2 0.000 . 3.500 2.798 2.631 2.922 . 0 0 "[ . 1 . ]" 1
629 1 43 LEU MD1 1 50 GLU QB 0.000 . 3.500 3.024 2.596 3.923 0.423 8 0 "[ . 1 . ]" 1
630 1 51 PRO HA 1 52 THR H 0.000 . 5.000 3.581 3.568 3.591 . 0 0 "[ . 1 . ]" 1
631 1 51 PRO HA 1 55 ALA H 0.000 . 5.000 3.810 3.566 4.072 . 0 0 "[ . 1 . ]" 1
632 1 51 PRO HA 1 54 GLU HG3 0.000 . 5.000 4.410 3.358 5.011 0.011 5 0 "[ . 1 . ]" 1
633 1 51 PRO HA 1 54 GLU HG2 0.000 . 5.000 4.735 4.010 5.001 0.001 19 0 "[ . 1 . ]" 1
634 1 49 ASP HA 1 52 THR H 0.000 . 5.000 4.731 4.614 4.896 . 0 0 "[ . 1 . ]" 1
635 1 51 PRO HG3 1 52 THR H 0.000 . 5.000 3.686 3.560 3.818 . 0 0 "[ . 1 . ]" 1
636 1 51 PRO HG2 1 52 THR H 0.000 . 5.000 2.086 1.923 2.249 . 0 0 "[ . 1 . ]" 1
637 1 52 THR HA 1 53 VAL H 0.000 . 5.000 3.563 3.553 3.574 . 0 0 "[ . 1 . ]" 1
638 1 52 THR HA 1 55 ALA H 0.000 . 5.000 3.691 3.577 3.806 . 0 0 "[ . 1 . ]" 1
639 1 52 THR HB 1 53 VAL H 0.000 . 5.000 2.448 2.352 2.532 . 0 0 "[ . 1 . ]" 1
640 1 48 LEU HA 1 52 THR HB 0.000 . 5.000 4.181 3.525 4.757 . 0 0 "[ . 1 . ]" 1
641 1 52 THR HB 1 53 VAL MG2 0.000 . 5.000 2.758 2.625 2.968 . 0 0 "[ . 1 . ]" 1
642 1 48 LEU QD 1 52 THR HB 0.000 . 5.000 3.743 3.259 4.114 . 0 0 "[ . 1 . ]" 1
643 1 19 PHE QE 1 52 THR MG 0.000 . 3.500 2.847 2.421 3.170 . 0 0 "[ . 1 . ]" 1
644 1 19 PHE HZ 1 52 THR MG 0.000 . 2.700 2.703 2.548 2.742 0.042 14 0 "[ . 1 . ]" 1
645 1 53 VAL H 1 55 ALA H 0.000 . 5.000 4.211 4.129 4.343 . 0 0 "[ . 1 . ]" 1
646 1 52 THR H 1 53 VAL H 0.000 . 3.500 2.779 2.693 2.844 . 0 0 "[ . 1 . ]" 1
647 1 53 VAL HA 1 56 LEU H 0.000 . 5.000 3.366 3.216 3.444 . 0 0 "[ . 1 . ]" 1
648 1 53 VAL HA 1 56 LEU MD1 0.000 . 5.000 4.795 4.469 4.996 . 0 0 "[ . 1 . ]" 1
649 1 53 VAL HA 1 56 LEU HB3 0.000 . 3.500 2.509 2.344 2.625 . 0 0 "[ . 1 . ]" 1
650 1 53 VAL HA 1 56 LEU HG 0.000 . 5.000 4.968 4.732 5.009 0.009 15 0 "[ . 1 . ]" 1
651 1 52 THR MG 1 53 VAL HA 0.000 . 5.000 3.708 3.577 3.878 . 0 0 "[ . 1 . ]" 1
652 1 43 LEU MD1 1 53 VAL HB 0.000 . 5.000 3.230 2.690 5.156 0.156 8 0 "[ . 1 . ]" 1
653 1 42 LEU QD 1 53 VAL HB 0.000 . 5.000 4.389 3.794 4.712 . 0 0 "[ . 1 . ]" 1
654 1 39 MET ME 1 53 VAL HB 0.000 . 5.000 3.460 3.191 3.756 . 0 0 "[ . 1 . ]" 1
655 1 39 MET ME 1 53 VAL MG2 0.000 . 5.000 3.333 2.660 3.929 . 0 0 "[ . 1 . ]" 1
656 1 50 GLU H 1 53 VAL MG2 0.000 . 5.000 4.294 4.154 4.615 . 0 0 "[ . 1 . ]" 1
657 1 39 MET ME 1 53 VAL MG1 0.000 . 5.000 3.278 2.720 3.759 . 0 0 "[ . 1 . ]" 1
658 1 42 LEU HB3 1 53 VAL MG1 0.000 . 5.000 1.823 1.708 2.184 . 0 0 "[ . 1 . ]" 1
659 1 42 LEU HB2 1 53 VAL MG1 0.000 . 5.000 2.328 1.698 3.162 . 0 0 "[ . 1 . ]" 1
660 1 54 GLU H 1 56 LEU H 0.000 . 5.000 4.035 3.904 4.202 . 0 0 "[ . 1 . ]" 1
661 1 50 GLU HA 1 54 GLU H 0.000 . 5.000 4.171 3.898 4.403 . 0 0 "[ . 1 . ]" 1
662 1 54 GLU HG3 1 55 ALA H 0.000 . 5.000 4.559 3.725 4.847 . 0 0 "[ . 1 . ]" 1
663 1 54 GLU HG2 1 55 ALA H 0.000 . 5.000 4.342 3.764 5.008 0.008 8 0 "[ . 1 . ]" 1
664 1 55 ALA HA 1 56 LEU H 0.000 . 3.500 3.532 3.513 3.549 0.049 8 0 "[ . 1 . ]" 1
665 1 54 GLU HA 1 56 LEU H 0.000 . 5.000 4.492 4.251 4.686 . 0 0 "[ . 1 . ]" 1
666 1 56 LEU HA 1 59 ARG HD3 0.000 . 5.000 4.865 4.561 5.031 0.031 10 0 "[ . 1 . ]" 1
667 1 56 LEU HA 1 59 ARG HD2 0.000 . 5.000 3.140 2.852 3.353 . 0 0 "[ . 1 . ]" 1
668 1 56 LEU HB3 1 57 ARG H 0.000 . 5.000 2.518 2.438 2.649 . 0 0 "[ . 1 . ]" 1
669 1 56 LEU HB2 1 57 ARG H 0.000 . 5.000 3.817 3.764 3.928 . 0 0 "[ . 1 . ]" 1
670 1 19 PHE QE 1 56 LEU MD1 0.000 . 3.500 2.189 1.784 3.147 . 0 0 "[ . 1 . ]" 1
671 1 19 PHE HZ 1 56 LEU MD1 0.000 . 3.500 3.465 3.315 3.513 0.013 15 0 "[ . 1 . ]" 1
672 1 13 LEU QD 1 56 LEU MD1 0.000 . 5.000 2.218 1.706 2.921 . 0 0 "[ . 1 . ]" 1
673 1 19 PHE QE 1 56 LEU MD2 0.000 . 3.500 2.215 1.829 2.924 . 0 0 "[ . 1 . ]" 1
674 1 19 PHE HZ 1 56 LEU MD2 0.000 . 3.500 2.792 2.132 3.210 . 0 0 "[ . 1 . ]" 1
675 1 23 LEU MD1 1 56 LEU MD2 0.000 . 5.000 2.465 1.802 2.976 . 0 0 "[ . 1 . ]" 1
676 1 35 ALA HA 1 57 ARG HA 0.000 . 5.000 3.242 2.872 3.760 . 0 0 "[ . 1 . ]" 1
677 1 57 ARG HA 1 58 GLU H 0.000 . 5.000 3.575 3.560 3.582 . 0 0 "[ . 1 . ]" 1
678 1 57 ARG HA 1 59 ARG H 0.000 . 5.000 4.320 4.226 4.543 . 0 0 "[ . 1 . ]" 1
679 1 57 ARG HA 1 60 ALA H 0.000 . 5.000 3.164 3.099 3.374 . 0 0 "[ . 1 . ]" 1
680 1 57 ARG HA 1 61 LYS H 0.000 . 5.000 4.253 3.874 4.832 . 0 0 "[ . 1 . ]" 1
681 1 57 ARG QB 1 58 GLU H 0.000 . 5.000 2.355 2.009 3.431 . 0 0 "[ . 1 . ]" 1
682 1 57 ARG QG 1 58 GLU H 0.000 . 5.000 3.738 1.984 3.975 . 0 0 "[ . 1 . ]" 1
683 1 54 GLU HA 1 58 GLU H 0.000 . 5.000 3.937 3.374 4.427 . 0 0 "[ . 1 . ]" 1
684 1 55 ALA HA 1 58 GLU H 0.000 . 5.000 3.591 3.312 3.931 . 0 0 "[ . 1 . ]" 1
685 1 56 LEU H 1 58 GLU H 0.000 . 5.000 4.296 4.050 4.549 . 0 0 "[ . 1 . ]" 1
686 1 58 GLU H 1 59 ARG H 0.000 . 3.500 2.948 2.815 3.008 . 0 0 "[ . 1 . ]" 1
687 1 57 ARG H 1 58 GLU H 0.000 . 5.000 2.704 2.444 2.869 . 0 0 "[ . 1 . ]" 1
688 1 58 GLU QG 1 62 ASN HD21 0.000 . 3.500 2.625 2.104 3.486 . 0 0 "[ . 1 . ]" 1
689 1 58 GLU QG 1 62 ASN HD22 0.000 . 3.500 2.079 1.861 3.086 . 0 0 "[ . 1 . ]" 1
690 1 58 GLU HA 1 59 ARG H 0.000 . 5.000 3.569 3.556 3.579 . 0 0 "[ . 1 . ]" 1
691 1 56 LEU HA 1 59 ARG H 0.000 . 5.000 3.820 3.637 4.033 . 0 0 "[ . 1 . ]" 1
692 1 58 GLU QB 1 59 ARG H 0.000 . 5.000 2.424 2.344 2.553 . 0 0 "[ . 1 . ]" 1
693 1 58 GLU QG 1 59 ARG H 0.000 . 5.000 3.660 3.555 4.112 . 0 0 "[ . 1 . ]" 1
694 1 13 LEU QD 1 59 ARG H 0.000 . 5.000 3.671 3.374 4.336 . 0 0 "[ . 1 . ]" 1
695 1 13 LEU QD 1 59 ARG HA 0.000 . 5.000 3.979 3.739 4.475 . 0 0 "[ . 1 . ]" 1
696 1 59 ARG HA 1 60 ALA H 0.000 . 5.000 3.560 3.522 3.572 . 0 0 "[ . 1 . ]" 1
697 1 59 ARG HA 1 62 ASN H 0.000 . 5.000 3.650 3.483 4.190 . 0 0 "[ . 1 . ]" 1
698 1 59 ARG HA 1 63 ALA H 0.000 . 5.000 3.476 2.642 3.873 . 0 0 "[ . 1 . ]" 1
699 1 59 ARG HA 1 62 ASN HD21 0.000 . 5.000 3.039 2.178 3.792 . 0 0 "[ . 1 . ]" 1
700 1 13 LEU HA 1 59 ARG HE 0.000 . 5.000 4.639 4.218 5.019 0.019 1 0 "[ . 1 . ]" 1
701 1 13 LEU QD 1 59 ARG HE 0.000 . 5.000 4.666 3.995 4.911 . 0 0 "[ . 1 . ]" 1
702 1 60 ALA H 1 62 ASN H 0.000 . 5.000 4.470 4.268 4.842 . 0 0 "[ . 1 . ]" 1
703 1 59 ARG QB 1 60 ALA H 0.000 . 5.000 2.518 2.395 2.713 . 0 0 "[ . 1 . ]" 1
704 1 59 ARG HG3 1 60 ALA H 0.000 . 5.000 4.281 4.188 4.718 . 0 0 "[ . 1 . ]" 1
705 1 59 ARG HG2 1 60 ALA H 0.000 . 5.000 4.870 3.750 4.996 . 0 0 "[ . 1 . ]" 1
706 1 34 LEU QD 1 60 ALA H 0.000 . 5.000 4.725 3.795 4.877 . 0 0 "[ . 1 . ]" 1
707 1 35 ALA MB 1 60 ALA H 0.000 . 5.000 4.080 3.826 4.602 . 0 0 "[ . 1 . ]" 1
708 1 60 ALA MB 1 61 LYS H 0.000 . 5.000 2.174 1.878 2.532 . 0 0 "[ . 1 . ]" 1
709 1 57 ARG QD 1 60 ALA MB 0.000 . 5.000 4.991 4.861 5.034 0.034 6 0 "[ . 1 . ]" 1
710 1 58 GLU HA 1 61 LYS H 0.000 . 5.000 3.918 3.420 4.410 . 0 0 "[ . 1 . ]" 1
711 1 59 ARG HA 1 61 LYS H 0.000 . 5.000 4.742 4.287 5.004 0.004 9 0 "[ . 1 . ]" 1
712 1 60 ALA HA 1 61 LYS H 0.000 . 5.000 3.584 3.562 3.593 . 0 0 "[ . 1 . ]" 1
713 1 13 LEU QD 1 61 LYS H 0.000 . 5.000 4.694 4.238 4.852 . 0 0 "[ . 1 . ]" 1
714 1 35 ALA MB 1 61 LYS H 0.000 . 5.000 2.117 1.814 2.889 . 0 0 "[ . 1 . ]" 1
715 1 61 LYS HA 1 62 ASN H 0.000 . 5.000 3.583 3.574 3.589 . 0 0 "[ . 1 . ]" 1
716 1 61 LYS HA 1 65 ALA H 0.000 . 5.000 3.950 3.511 4.505 . 0 0 "[ . 1 . ]" 1
717 1 61 LYS QB 1 62 ASN H 0.000 . 5.000 2.323 2.142 2.442 . 0 0 "[ . 1 . ]" 1
718 1 61 LYS HG3 1 62 ASN H 0.000 . 5.000 4.762 4.567 4.882 . 0 0 "[ . 1 . ]" 1
719 1 61 LYS HG2 1 62 ASN H 0.000 . 5.000 4.476 4.214 4.906 . 0 0 "[ . 1 . ]" 1
720 1 62 ASN HA 1 65 ALA H 0.000 . 3.500 3.511 3.455 3.529 0.029 19 0 "[ . 1 . ]" 1
721 1 60 ALA HA 1 63 ALA H 0.000 . 5.000 3.823 3.628 4.603 . 0 0 "[ . 1 . ]" 1
722 1 62 ASN QB 1 63 ALA H 0.000 . 5.000 2.466 2.278 2.620 . 0 0 "[ . 1 . ]" 1
723 1 12 TYR QE 1 63 ALA MB 0.000 . 3.500 3.324 3.057 3.517 0.017 16 0 "[ . 1 . ]" 1
724 1 12 TYR QD 1 63 ALA MB 0.000 . 3.500 1.771 1.696 1.896 . 0 0 "[ . 1 . ]" 1
725 1 61 LYS HA 1 64 LEU H 0.000 . 5.000 3.265 3.003 3.542 . 0 0 "[ . 1 . ]" 1
726 1 62 ASN HA 1 64 LEU H 0.000 . 5.000 4.465 4.266 4.660 . 0 0 "[ . 1 . ]" 1
727 1 63 ALA HA 1 64 LEU H 0.000 . 5.000 3.549 3.514 3.575 . 0 0 "[ . 1 . ]" 1
728 1 60 ALA HA 1 64 LEU H 0.000 . 5.000 4.064 3.814 4.416 . 0 0 "[ . 1 . ]" 1
729 1 63 ALA MB 1 64 LEU H 0.000 . 5.000 2.574 2.349 2.687 . 0 0 "[ . 1 . ]" 1
730 1 64 LEU HB3 1 65 ALA H 0.000 . 5.000 2.904 2.471 3.695 . 0 0 "[ . 1 . ]" 1
731 1 64 LEU HB2 1 65 ALA H 0.000 . 5.000 3.410 2.454 3.857 . 0 0 "[ . 1 . ]" 1
732 1 36 TYR QD 1 64 LEU QD 0.000 . 5.000 3.580 2.677 4.426 . 0 0 "[ . 1 . ]" 1
733 1 36 TYR QE 1 64 LEU QD 0.000 . 5.000 2.154 1.703 3.351 . 0 0 "[ . 1 . ]" 1
734 1 63 ALA HA 1 65 ALA H 0.000 . 5.000 4.376 4.148 4.661 . 0 0 "[ . 1 . ]" 1
735 1 65 ALA H 1 67 ILE H 0.000 . 5.000 4.301 4.155 4.493 . 0 0 "[ . 1 . ]" 1
736 1 64 LEU HA 1 65 ALA H 0.000 . 5.000 3.557 3.534 3.588 . 0 0 "[ . 1 . ]" 1
737 1 62 ASN QB 1 65 ALA H 0.000 . 5.000 4.864 4.762 4.945 . 0 0 "[ . 1 . ]" 1
738 1 61 LYS QD 1 65 ALA H 0.000 . 5.000 4.821 3.305 5.001 0.001 12 0 "[ . 1 . ]" 1
739 1 62 ASN HA 1 65 ALA MB 0.000 . 5.000 2.729 2.518 3.110 . 0 0 "[ . 1 . ]" 1
740 1 66 THR H 1 68 ALA H 0.000 . 5.000 4.334 4.104 4.505 . 0 0 "[ . 1 . ]" 1
741 1 65 ALA MB 1 66 THR H 0.000 . 3.500 2.654 2.374 2.895 . 0 0 "[ . 1 . ]" 1
742 1 66 THR HA 1 67 ILE H 0.000 . 5.000 3.561 3.519 3.588 . 0 0 "[ . 1 . ]" 1
743 1 66 THR HA 1 69 GLN H 0.000 . 3.500 3.032 2.830 3.205 . 0 0 "[ . 1 . ]" 1
744 1 66 THR HB 1 67 ILE H 0.000 . 3.500 2.535 2.283 2.836 . 0 0 "[ . 1 . ]" 1
745 1 66 THR HB 1 69 GLN H 0.000 . 5.000 5.017 4.963 5.038 0.038 12 0 "[ . 1 . ]" 1
746 1 8 THR MG 1 67 ILE H 0.000 . 3.500 3.484 3.396 3.533 0.033 10 0 "[ . 1 . ]" 1
747 1 64 LEU HA 1 67 ILE H 0.000 . 5.000 3.433 3.101 3.684 . 0 0 "[ . 1 . ]" 1
748 1 67 ILE HA 1 68 ALA H 0.000 . 5.000 3.561 3.542 3.582 . 0 0 "[ . 1 . ]" 1
749 1 67 ILE MD 1 70 ALA H 0.000 . 5.000 4.774 4.565 5.001 0.001 5 0 "[ . 1 . ]" 1
750 1 67 ILE HB 1 68 ALA H 0.000 . 3.500 2.546 2.328 2.704 . 0 0 "[ . 1 . ]" 1
751 1 67 ILE H 1 69 GLN H 0.000 . 5.000 4.039 3.871 4.138 . 0 0 "[ . 1 . ]" 1
752 1 67 ILE HA 1 69 GLN H 0.000 . 5.000 4.042 3.847 4.419 . 0 0 "[ . 1 . ]" 1
753 1 68 ALA HA 1 69 GLN H 0.000 . 5.000 3.495 3.470 3.531 . 0 0 "[ . 1 . ]" 1
754 1 68 ALA MB 1 69 GLN H 0.000 . 5.000 2.850 2.750 2.979 . 0 0 "[ . 1 . ]" 1
755 1 70 ALA H 1 71 GLN H 0.000 . 5.000 2.560 2.387 2.706 . 0 0 "[ . 1 . ]" 1
756 1 69 GLN HA 1 70 ALA H 0.000 . 5.000 3.520 3.307 3.555 . 0 0 "[ . 1 . ]" 1
757 1 69 GLN QB 1 70 ALA H 0.000 . 5.000 2.720 2.548 3.355 . 0 0 "[ . 1 . ]" 1
758 1 69 GLN QG 1 70 ALA H 0.000 . 5.000 4.003 3.758 4.282 . 0 0 "[ . 1 . ]" 1
759 1 70 ALA HA 1 71 GLN H 0.000 . 3.500 3.491 3.414 3.549 0.049 15 0 "[ . 1 . ]" 1
760 1 70 ALA HA 1 73 GLU H 0.000 . 5.000 3.213 3.034 3.470 . 0 0 "[ . 1 . ]" 1
761 1 70 ALA HA 1 74 SER H 0.000 . 5.000 4.756 4.225 4.989 . 0 0 "[ . 1 . ]" 1
762 1 67 ILE HA 1 70 ALA MB 0.000 . 3.500 3.032 2.532 3.512 0.012 2 0 "[ . 1 . ]" 1
763 1 70 ALA MB 1 71 GLN H 0.000 . 5.000 2.833 2.538 3.095 . 0 0 "[ . 1 . ]" 1
764 1 70 ALA MB 1 73 GLU H 0.000 . 5.000 4.303 4.027 4.537 . 0 0 "[ . 1 . ]" 1
765 1 71 GLN H 1 73 GLU H 0.000 . 5.000 4.172 3.995 4.295 . 0 0 "[ . 1 . ]" 1
766 1 72 GLU H 1 73 GLU H 0.000 . 5.000 2.656 2.588 2.752 . 0 0 "[ . 1 . ]" 1
767 1 71 GLN HA 1 72 GLU H 0.000 . 5.000 3.545 3.532 3.563 . 0 0 "[ . 1 . ]" 1
768 1 72 GLU HA 1 73 GLU H 0.000 . 5.000 3.536 3.519 3.554 . 0 0 "[ . 1 . ]" 1
769 1 73 GLU H 1 74 SER H 0.000 . 5.000 2.629 2.582 2.715 . 0 0 "[ . 1 . ]" 1
770 1 73 GLU HA 1 74 SER H 0.000 . 5.000 3.529 3.505 3.543 . 0 0 "[ . 1 . ]" 1
771 1 73 GLU QB 1 74 SER H 0.000 . 5.000 2.706 2.630 2.813 . 0 0 "[ . 1 . ]" 1
772 1 73 GLU QG 1 74 SER H 0.000 . 5.000 4.029 3.785 4.105 . 0 0 "[ . 1 . ]" 1
773 1 71 GLN QB 1 74 SER H 0.000 . 5.000 4.759 4.602 4.972 . 0 0 "[ . 1 . ]" 1
774 1 9 PHE HZ 1 29 SER HA 0.000 . 2.700 2.624 2.192 2.721 0.021 18 0 "[ . 1 . ]" 1
775 1 9 PHE HZ 1 30 THR HA 0.000 . 5.000 3.851 3.645 4.068 . 0 0 "[ . 1 . ]" 1
776 1 9 PHE HZ 1 31 LEU HA 0.000 . 5.000 4.300 4.175 4.518 . 0 0 "[ . 1 . ]" 1
777 1 9 PHE HZ 1 28 PHE HB3 0.000 . 5.000 3.511 3.347 3.913 . 0 0 "[ . 1 . ]" 1
778 1 9 PHE HZ 1 28 PHE HB2 0.000 . 5.000 4.081 3.854 4.297 . 0 0 "[ . 1 . ]" 1
779 1 9 PHE HZ 1 34 LEU HG 0.000 . 5.000 3.902 3.196 5.050 0.050 14 0 "[ . 1 . ]" 1
780 1 9 PHE QD 1 13 LEU QD 0.000 . 3.500 2.258 1.829 2.735 . 0 0 "[ . 1 . ]" 1
781 1 28 PHE QD 1 42 LEU QD 0.000 . 5.000 3.714 3.247 4.288 . 0 0 "[ . 1 . ]" 1
782 1 28 PHE QD 1 33 GLU HB3 0.000 . 2.700 1.892 1.828 2.133 . 0 0 "[ . 1 . ]" 1
783 1 28 PHE QD 1 33 GLU HB2 0.000 . 5.000 2.394 2.065 3.542 . 0 0 "[ . 1 . ]" 1
784 1 28 PHE QD 1 34 LEU HG 0.000 . 5.000 3.686 2.965 5.018 0.018 12 0 "[ . 1 . ]" 1
785 1 28 PHE QD 1 34 LEU HA 0.000 . 5.000 3.143 2.747 3.506 . 0 0 "[ . 1 . ]" 1
786 1 23 LEU HA 1 28 PHE QD 0.000 . 5.000 3.430 2.886 4.280 . 0 0 "[ . 1 . ]" 1
787 1 28 PHE QD 1 45 ILE MD 0.000 . 3.500 3.385 2.837 3.522 0.022 19 0 "[ . 1 . ]" 1
788 1 9 PHE QE 1 30 THR HA 0.000 . 5.000 3.341 2.989 3.639 . 0 0 "[ . 1 . ]" 1
789 1 9 PHE QE 1 31 LEU HA 0.000 . 3.500 2.976 2.556 3.424 . 0 0 "[ . 1 . ]" 1
790 1 9 PHE QE 1 28 PHE HB3 0.000 . 5.000 3.906 3.419 4.303 . 0 0 "[ . 1 . ]" 1
791 1 9 PHE QE 1 28 PHE HB2 0.000 . 5.000 3.463 2.965 3.761 . 0 0 "[ . 1 . ]" 1
792 1 9 PHE QE 1 29 SER HA 0.000 . 3.500 3.073 2.604 3.407 . 0 0 "[ . 1 . ]" 1
793 1 9 PHE QE 1 31 LEU QD 0.000 . 3.500 2.290 1.806 2.974 . 0 0 "[ . 1 . ]" 1
794 1 9 PHE QE 1 13 LEU QD 0.000 . 5.000 3.377 3.141 3.813 . 0 0 "[ . 1 . ]" 1
795 1 9 PHE QE 1 23 LEU HB2 0.000 . 2.700 2.565 2.303 2.721 0.021 13 0 "[ . 1 . ]" 1
796 1 9 PHE QE 1 31 LEU HG 0.000 . 3.500 2.767 2.448 3.160 . 0 0 "[ . 1 . ]" 1
797 1 44 GLU HA 1 46 GLU H 0.000 . 3.500 3.500 3.415 3.539 0.039 14 0 "[ . 1 . ]" 1
798 1 6 ILE MD 1 20 ALA H 0.000 . 5.000 4.857 4.478 5.030 0.030 19 0 "[ . 1 . ]" 1
799 1 6 ILE MG 1 20 ALA H 0.000 . 5.000 3.813 3.198 4.346 . 0 0 "[ . 1 . ]" 1
800 1 9 PHE QE 1 24 VAL H 0.000 . 5.000 3.012 2.870 3.161 . 0 0 "[ . 1 . ]" 1
801 1 9 PHE QD 1 24 VAL H 0.000 . 5.000 3.493 3.405 3.592 . 0 0 "[ . 1 . ]" 1
802 1 30 THR H 1 33 GLU HB3 0.000 . 5.000 4.572 3.467 5.027 0.027 12 0 "[ . 1 . ]" 1
803 1 30 THR H 1 33 GLU HB2 0.000 . 5.000 3.156 2.460 3.609 . 0 0 "[ . 1 . ]" 1
804 1 30 THR H 1 33 GLU QG 0.000 . 5.000 3.484 2.741 4.608 . 0 0 "[ . 1 . ]" 1
805 1 36 TYR H 1 37 VAL HB 0.000 . 5.000 4.787 4.511 4.993 . 0 0 "[ . 1 . ]" 1
806 1 39 MET HA 1 57 ARG HE 0.000 . 5.000 2.804 1.979 3.508 . 0 0 "[ . 1 . ]" 1
807 1 55 ALA MB 1 59 ARG HE 0.000 . 3.500 3.097 2.677 3.499 . 0 0 "[ . 1 . ]" 1
808 1 35 ALA H 1 36 TYR QE 0.000 . 5.000 5.030 4.925 5.061 0.061 11 0 "[ . 1 . ]" 1
809 1 36 TYR QE 1 61 LYS HG2 0.000 . 5.000 4.833 3.676 5.027 0.027 1 0 "[ . 1 . ]" 1
810 1 36 TYR QE 1 61 LYS QD 0.000 . 5.000 3.528 2.617 5.007 0.007 6 0 "[ . 1 . ]" 1
811 1 39 MET ME 1 43 LEU H 0.000 . 5.000 2.822 2.528 3.225 . 0 0 "[ . 1 . ]" 1
812 1 9 PHE QE 1 29 SER H 0.000 . 5.000 4.771 4.580 4.835 . 0 0 "[ . 1 . ]" 1
813 1 9 PHE HZ 1 29 SER H 0.000 . 5.000 3.994 3.817 4.072 . 0 0 "[ . 1 . ]" 1
814 1 9 PHE HZ 1 29 SER HB3 0.000 . 5.000 4.969 4.597 5.041 0.041 18 0 "[ . 1 . ]" 1
815 1 9 PHE HZ 1 29 SER HB2 0.000 . 5.000 4.763 4.303 4.902 . 0 0 "[ . 1 . ]" 1
816 1 30 THR H 1 34 LEU H 0.000 . 5.000 4.405 3.658 4.740 . 0 0 "[ . 1 . ]" 1
817 1 9 PHE QE 1 30 THR H 0.000 . 5.000 4.041 3.767 4.179 . 0 0 "[ . 1 . ]" 1
818 1 9 PHE QD 1 31 LEU H 0.000 . 5.000 4.947 4.738 5.035 0.035 2 0 "[ . 1 . ]" 1
819 1 31 LEU QD 1 64 LEU H 0.000 . 3.500 3.311 2.867 3.474 . 0 0 "[ . 1 . ]" 1
820 1 31 LEU QD 1 60 ALA HA 0.000 . 3.500 2.666 1.980 3.447 . 0 0 "[ . 1 . ]" 1
821 1 32 GLU HA 1 64 LEU QD 0.000 . 5.000 2.338 1.741 3.113 . 0 0 "[ . 1 . ]" 1
822 1 32 GLU HG3 1 33 GLU H 0.000 . 5.000 4.556 4.262 4.828 . 0 0 "[ . 1 . ]" 1
823 1 32 GLU HG2 1 33 GLU H 0.000 . 5.000 4.799 3.516 5.043 0.043 9 0 "[ . 1 . ]" 1
824 1 31 LEU HA 1 33 GLU H 0.000 . 5.000 4.466 4.288 4.993 . 0 0 "[ . 1 . ]" 1
825 1 30 THR MG 1 33 GLU H 0.000 . 5.000 2.840 1.666 3.280 . 0 0 "[ . 1 . ]" 1
826 1 32 GLU HB3 1 33 GLU H 0.000 . 3.500 3.129 2.042 3.456 . 0 0 "[ . 1 . ]" 1
827 1 33 GLU HA 1 36 TYR QD 0.000 . 5.000 4.206 3.174 4.436 . 0 0 "[ . 1 . ]" 1
828 1 28 PHE QD 1 34 LEU H 0.000 . 3.500 3.274 2.916 3.518 0.018 18 0 "[ . 1 . ]" 1
829 1 9 PHE HZ 1 34 LEU H 0.000 . 5.000 4.765 4.212 5.004 0.004 7 0 "[ . 1 . ]" 1
830 1 34 LEU H 1 60 ALA MB 0.000 . 5.000 3.990 3.771 4.229 . 0 0 "[ . 1 . ]" 1
831 1 23 LEU QB 1 34 LEU QD 0.000 . 5.000 1.801 1.663 1.930 . 0 0 "[ . 1 . ]" 1
832 1 34 LEU QD 1 56 LEU HG 0.000 . 5.000 3.180 2.513 3.590 . 0 0 "[ . 1 . ]" 1
833 1 35 ALA HA 1 60 ALA H 0.000 . 5.000 4.690 4.512 4.957 . 0 0 "[ . 1 . ]" 1
834 1 35 ALA HA 1 61 LYS H 0.000 . 5.000 3.531 3.259 3.778 . 0 0 "[ . 1 . ]" 1
835 1 35 ALA HA 1 61 LYS QB 0.000 . 5.000 4.617 3.630 5.018 0.018 12 0 "[ . 1 . ]" 1
836 1 35 ALA HA 1 57 ARG QB 0.000 . 5.000 3.382 2.766 4.544 . 0 0 "[ . 1 . ]" 1
837 1 35 ALA HA 1 57 ARG QG 0.000 . 5.000 3.603 2.388 4.693 . 0 0 "[ . 1 . ]" 1
838 1 35 ALA HA 1 61 LYS HG3 0.000 . 5.000 4.375 3.277 5.004 0.004 2 0 "[ . 1 . ]" 1
839 1 35 ALA HA 1 61 LYS HG2 0.000 . 5.000 3.336 2.887 4.339 . 0 0 "[ . 1 . ]" 1
840 1 35 ALA MB 1 61 LYS HA 0.000 . 2.700 2.460 1.911 2.684 . 0 0 "[ . 1 . ]" 1
841 1 35 ALA MB 1 36 TYR HA 0.000 . 5.000 3.765 3.727 3.868 . 0 0 "[ . 1 . ]" 1
842 1 35 ALA MB 1 64 LEU QD 0.000 . 5.000 2.861 1.722 3.705 . 0 0 "[ . 1 . ]" 1
843 1 35 ALA MB 1 62 ASN H 0.000 . 5.000 4.388 4.222 4.762 . 0 0 "[ . 1 . ]" 1
844 1 32 GLU H 1 35 ALA MB 0.000 . 5.000 4.575 4.317 4.743 . 0 0 "[ . 1 . ]" 1
845 1 35 ALA MB 1 61 LYS QB 0.000 . 5.000 3.105 2.428 3.404 . 0 0 "[ . 1 . ]" 1
846 1 35 ALA MB 1 60 ALA MB 0.000 . 3.500 1.757 1.584 2.130 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 2.574
_Distance_constraint_stats_list.Viol_max 0.020
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLU 0.005 0.003 18 0 "[ . 1 . ]"
1 4 ALA 0.005 0.003 18 0 "[ . 1 . ]"
1 6 ILE 0.032 0.020 16 0 "[ . 1 . ]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 10 THR 0.032 0.020 16 0 "[ . 1 . ]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 12 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 32 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . ]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 42 LEU 0.082 0.020 19 0 "[ . 1 . ]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ILE 0.082 0.020 19 0 "[ . 1 . ]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 THR 0.009 0.009 16 0 "[ . 1 . ]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 54 GLU 0.006 0.004 1 0 "[ . 1 . ]"
1 56 LEU 0.009 0.009 16 0 "[ . 1 . ]"
1 57 ARG 0.003 0.003 19 0 "[ . 1 . ]"
1 58 GLU 0.006 0.004 1 0 "[ . 1 . ]"
1 60 ALA 0.003 0.003 19 0 "[ . 1 . ]"
1 61 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU O 1 4 ALA H 0.000 . 2.300 2.265 2.192 2.303 0.003 18 0 "[ . 1 . ]" 2
2 1 1 GLU O 1 4 ALA N 0.000 . 3.300 3.009 2.907 3.111 . 0 0 "[ . 1 . ]" 2
3 1 6 ILE O 1 10 THR H 0.000 . 2.300 2.194 1.863 2.320 0.020 16 0 "[ . 1 . ]" 2
4 1 6 ILE O 1 10 THR N 0.000 . 3.300 3.108 2.769 3.250 . 0 0 "[ . 1 . ]" 2
5 1 8 THR O 1 11 LYS H 0.000 . 2.300 2.054 1.782 2.210 . 0 0 "[ . 1 . ]" 2
6 1 8 THR O 1 11 LYS N 0.000 . 3.300 2.719 2.510 2.842 . 0 0 "[ . 1 . ]" 2
7 1 7 ASP O 1 11 LYS H 0.000 . 2.300 1.807 1.605 2.054 . 0 0 "[ . 1 . ]" 2
8 1 7 ASP O 1 11 LYS N 0.000 . 3.300 2.594 2.405 2.821 . 0 0 "[ . 1 . ]" 2
9 1 8 THR O 1 12 TYR H 0.000 . 2.300 1.776 1.699 1.928 . 0 0 "[ . 1 . ]" 2
10 1 8 THR O 1 12 TYR N 0.000 . 3.300 2.685 2.614 2.827 . 0 0 "[ . 1 . ]" 2
11 1 16 ASP O 1 20 ALA H 0.000 . 2.300 1.926 1.662 2.085 . 0 0 "[ . 1 . ]" 2
12 1 16 ASP O 1 20 ALA N 0.000 . 3.300 2.894 2.609 3.051 . 0 0 "[ . 1 . ]" 2
13 1 20 ALA O 1 24 VAL H 0.000 . 2.300 1.992 1.798 2.108 . 0 0 "[ . 1 . ]" 2
14 1 20 ALA O 1 24 VAL N 0.000 . 3.300 2.944 2.767 3.054 . 0 0 "[ . 1 . ]" 2
15 1 23 LEU O 1 28 PHE H 0.000 . 2.300 1.928 1.648 2.144 . 0 0 "[ . 1 . ]" 2
16 1 23 LEU O 1 28 PHE N 0.000 . 3.300 2.731 2.463 2.964 . 0 0 "[ . 1 . ]" 2
17 1 31 LEU O 1 35 ALA H 0.000 . 2.300 1.768 1.551 1.992 . 0 0 "[ . 1 . ]" 2
18 1 31 LEU O 1 35 ALA N 0.000 . 3.300 2.674 2.391 2.925 . 0 0 "[ . 1 . ]" 2
19 1 32 GLU O 1 36 TYR H 0.000 . 2.300 1.484 1.416 1.569 . 0 0 "[ . 1 . ]" 2
20 1 32 GLU O 1 36 TYR N 0.000 . 3.300 2.390 2.350 2.549 . 0 0 "[ . 1 . ]" 2
21 1 39 MET O 1 43 LEU H 0.000 . 2.300 1.621 1.485 1.822 . 0 0 "[ . 1 . ]" 2
22 1 39 MET O 1 43 LEU N 0.000 . 3.300 2.578 2.455 2.772 . 0 0 "[ . 1 . ]" 2
23 1 42 LEU O 1 45 ILE H 0.000 . 2.300 2.297 2.257 2.320 0.020 19 0 "[ . 1 . ]" 2
24 1 42 LEU O 1 45 ILE N 0.000 . 3.300 3.019 2.887 3.113 . 0 0 "[ . 1 . ]" 2
25 1 49 ASP O 1 53 VAL H 0.000 . 2.300 2.094 1.986 2.250 . 0 0 "[ . 1 . ]" 2
26 1 49 ASP O 1 53 VAL N 0.000 . 3.300 3.054 2.950 3.209 . 0 0 "[ . 1 . ]" 2
27 1 50 GLU O 1 54 GLU H 0.000 . 2.300 2.043 1.821 2.248 . 0 0 "[ . 1 . ]" 2
28 1 50 GLU O 1 54 GLU N 0.000 . 3.300 2.912 2.645 3.228 . 0 0 "[ . 1 . ]" 2
29 1 52 THR O 1 56 LEU H 0.000 . 2.300 1.986 1.797 2.309 0.009 16 0 "[ . 1 . ]" 2
30 1 52 THR O 1 56 LEU N 0.000 . 3.300 2.881 2.687 3.156 . 0 0 "[ . 1 . ]" 2
31 1 54 GLU O 1 58 GLU H 0.000 . 2.300 2.085 1.630 2.304 0.004 1 0 "[ . 1 . ]" 2
32 1 54 GLU O 1 58 GLU N 0.000 . 3.300 3.028 2.570 3.280 . 0 0 "[ . 1 . ]" 2
33 1 57 ARG O 1 60 ALA H 0.000 . 2.300 2.194 2.093 2.303 0.003 19 0 "[ . 1 . ]" 2
34 1 57 ARG O 1 60 ALA N 0.000 . 3.300 2.665 2.590 2.882 . 0 0 "[ . 1 . ]" 2
35 1 60 ALA O 1 64 LEU H 0.000 . 2.300 1.893 1.720 2.266 . 0 0 "[ . 1 . ]" 2
36 1 60 ALA O 1 64 LEU N 0.000 . 3.300 2.791 2.612 3.057 . 0 0 "[ . 1 . ]" 2
37 1 61 LYS O 1 65 ALA H 0.000 . 2.300 1.813 1.500 2.240 . 0 0 "[ . 1 . ]" 2
38 1 61 LYS O 1 65 ALA N 0.000 . 3.300 2.750 2.477 3.158 . 0 0 "[ . 1 . ]" 2
stop_
save_
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