NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619581 |
5gjl   |
36011 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5gjl
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 1111
_Distance_constraint_stats_list.Viol_count 449
_Distance_constraint_stats_list.Viol_total 413.966
_Distance_constraint_stats_list.Viol_max 0.423
_Distance_constraint_stats_list.Viol_rms 0.0236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0922
_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 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 ASP 0.000 0.000 . 0 "[ . 1]"
1 5 ASP 0.101 0.101 4 0 "[ . 1]"
1 6 SER 0.000 0.000 . 0 "[ . 1]"
1 7 ALA 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 0.101 0.101 4 0 "[ . 1]"
1 9 ASN 0.000 0.000 . 0 "[ . 1]"
1 10 ASN 0.000 0.000 . 0 "[ . 1]"
1 11 ASN 0.000 0.000 . 0 "[ . 1]"
1 12 GLY 0.000 0.000 . 0 "[ . 1]"
1 13 SER 0.000 0.000 . 0 "[ . 1]"
1 14 SER 0.000 0.000 . 0 "[ . 1]"
1 16 VAL 0.000 0.000 . 0 "[ . 1]"
1 17 ASN 0.000 0.000 . 0 "[ . 1]"
1 18 ASN 0.000 0.000 . 0 "[ . 1]"
1 19 GLN 0.000 0.000 . 0 "[ . 1]"
1 20 GLY 0.000 0.000 . 0 "[ . 1]"
1 21 GLU 0.000 0.000 . 0 "[ . 1]"
1 22 HIS 0.000 0.000 . 0 "[ . 1]"
1 23 ILE 0.000 0.000 . 0 "[ . 1]"
1 24 GLN 3.251 0.232 5 0 "[ . 1]"
1 25 VAL 0.360 0.149 6 0 "[ . 1]"
1 26 LYS 4.526 0.258 7 0 "[ . 1]"
1 27 VAL 7.903 0.423 1 0 "[ . 1]"
1 28 ARG 4.356 0.236 1 0 "[ . 1]"
1 29 SER 7.757 0.423 1 0 "[ . 1]"
1 30 PRO 0.019 0.019 4 0 "[ . 1]"
1 31 ASP 2.770 0.236 1 0 "[ . 1]"
1 32 GLY 0.000 0.000 . 0 "[ . 1]"
1 33 ALA 0.297 0.060 4 0 "[ . 1]"
1 34 GLU 1.834 0.249 1 0 "[ . 1]"
1 35 VAL 0.004 0.004 10 0 "[ . 1]"
1 36 PHE 0.018 0.018 1 0 "[ . 1]"
1 37 PHE 1.388 0.209 10 0 "[ . 1]"
1 38 LYS 1.903 0.178 7 0 "[ . 1]"
1 39 ILE 2.944 0.232 5 0 "[ . 1]"
1 40 LYS 0.471 0.124 2 0 "[ . 1]"
1 41 ARG 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 1.192 0.277 7 0 "[ . 1]"
1 43 THR 0.621 0.124 2 0 "[ . 1]"
1 44 LYS 1.902 0.277 7 0 "[ . 1]"
1 45 LEU 0.050 0.050 8 0 "[ . 1]"
1 46 GLU 0.640 0.114 10 0 "[ . 1]"
1 47 LYS 1.455 0.211 4 0 "[ . 1]"
1 48 LEU 3.914 0.220 3 0 "[ . 1]"
1 49 MET 0.333 0.073 8 0 "[ . 1]"
1 50 GLU 1.343 0.184 3 0 "[ . 1]"
1 51 VAL 1.041 0.211 4 0 "[ . 1]"
1 52 TYR 0.480 0.176 10 0 "[ . 1]"
1 53 CYS 3.383 0.184 3 0 "[ . 1]"
1 54 ASN 0.000 0.000 . 0 "[ . 1]"
1 55 ARG 0.425 0.176 10 0 "[ . 1]"
1 56 LEU 0.000 0.000 . 0 "[ . 1]"
1 57 GLY 0.000 0.000 . 0 "[ . 1]"
1 58 GLN 0.000 0.000 . 0 "[ . 1]"
1 59 SER 0.912 0.100 6 0 "[ . 1]"
1 60 MET 1.327 0.143 3 0 "[ . 1]"
1 61 GLU 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 2.641 0.297 4 0 "[ . 1]"
1 63 VAL 0.000 0.000 . 0 "[ . 1]"
1 64 ARG 0.193 0.069 9 0 "[ . 1]"
1 65 PHE 0.170 0.050 3 0 "[ . 1]"
1 66 LEU 0.555 0.101 10 0 "[ . 1]"
1 67 TYR 1.929 0.229 2 0 "[ . 1]"
1 68 ASP 0.061 0.061 4 0 "[ . 1]"
1 69 GLY 0.016 0.016 5 0 "[ . 1]"
1 70 ASP 0.000 0.000 . 0 "[ . 1]"
1 71 ARG 1.845 0.229 2 0 "[ . 1]"
1 72 ILE 0.170 0.050 3 0 "[ . 1]"
1 73 HIS 0.000 0.000 . 0 "[ . 1]"
1 74 GLY 0.254 0.100 1 0 "[ . 1]"
1 75 ASP 0.000 0.000 . 0 "[ . 1]"
1 76 ASN 0.000 0.000 . 0 "[ . 1]"
1 77 THR 0.341 0.126 3 0 "[ . 1]"
1 80 GLN 0.147 0.067 2 0 "[ . 1]"
1 81 LEU 0.960 0.129 4 0 "[ . 1]"
1 82 GLY 1.573 0.240 6 0 "[ . 1]"
1 83 ILE 0.815 0.129 4 0 "[ . 1]"
1 84 GLU 2.412 0.240 6 0 "[ . 1]"
1 85 ASP 0.000 0.000 . 0 "[ . 1]"
1 86 GLY 0.597 0.124 5 0 "[ . 1]"
1 87 ASP 0.602 0.099 2 0 "[ . 1]"
1 88 VAL 1.295 0.209 5 0 "[ . 1]"
1 89 ILE 1.117 0.174 6 0 "[ . 1]"
1 90 ASP 2.098 0.273 4 0 "[ . 1]"
1 91 ALA 0.638 0.157 2 0 "[ . 1]"
1 92 MET 0.111 0.069 9 0 "[ . 1]"
1 93 VAL 0.364 0.086 7 0 "[ . 1]"
1 94 GLN 2.483 0.297 4 0 "[ . 1]"
1 95 GLN 0.049 0.022 3 0 "[ . 1]"
1 96 THR 0.056 0.029 10 0 "[ . 1]"
1 97 GLY 0.158 0.083 4 0 "[ . 1]"
1 98 GLY 0.028 0.017 8 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 3 ASP HA 1 4 ASP H 5.000 . 5.000 2.351 2.138 2.874 . 0 0 "[ . 1]" 1
2 1 3 ASP HB2 1 4 ASP H 6.500 . 6.500 3.361 2.490 4.298 . 0 0 "[ . 1]" 1
3 1 3 ASP HB3 1 4 ASP H 6.500 . 6.500 3.303 1.956 4.204 . 0 0 "[ . 1]" 1
4 1 4 ASP HA 1 5 ASP H 5.500 . 5.500 3.431 3.351 3.511 . 0 0 "[ . 1]" 1
5 1 4 ASP HB2 1 5 ASP H 6.500 . 6.500 3.683 2.723 4.257 . 0 0 "[ . 1]" 1
6 1 4 ASP HB3 1 5 ASP H 6.500 . 6.500 3.588 2.854 4.161 . 0 0 "[ . 1]" 1
7 1 5 ASP HA 1 7 ALA H 6.500 . 6.500 3.776 3.586 4.218 . 0 0 "[ . 1]" 1
8 1 5 ASP HA 1 8 VAL H 6.500 . 6.500 4.029 3.498 4.882 . 0 0 "[ . 1]" 1
9 1 5 ASP HB2 1 6 SER H 6.500 . 6.500 3.028 2.592 3.960 . 0 0 "[ . 1]" 1
10 1 5 ASP HB2 1 7 ALA H 6.500 . 6.500 5.018 4.742 5.623 . 0 0 "[ . 1]" 1
11 1 5 ASP HB2 1 8 VAL H 6.500 . 6.500 6.024 5.608 6.601 0.101 4 0 "[ . 1]" 1
12 1 5 ASP HB3 1 6 SER H 6.500 . 6.500 3.890 3.670 4.008 . 0 0 "[ . 1]" 1
13 1 5 ASP HB3 1 7 ALA H 6.500 . 6.500 5.257 5.131 5.694 . 0 0 "[ . 1]" 1
14 1 5 ASP HB3 1 8 VAL H 6.500 . 6.500 5.543 4.883 6.156 . 0 0 "[ . 1]" 1
15 1 6 SER HB2 1 7 ALA H 6.500 . 6.500 3.605 2.971 4.261 . 0 0 "[ . 1]" 1
16 1 6 SER HB3 1 7 ALA H 6.500 . 6.500 4.013 3.212 4.440 . 0 0 "[ . 1]" 1
17 1 7 ALA H 1 8 VAL H 6.500 . 6.500 2.625 2.173 3.447 . 0 0 "[ . 1]" 1
18 1 7 ALA HA 1 8 VAL H 5.500 . 5.500 3.050 2.520 3.572 . 0 0 "[ . 1]" 1
19 1 7 ALA MB 1 8 VAL H 6.500 . 6.500 3.354 2.201 3.716 . 0 0 "[ . 1]" 1
20 1 8 VAL H 1 9 ASN H 6.500 . 6.500 3.464 2.074 4.303 . 0 0 "[ . 1]" 1
21 1 8 VAL HB 1 9 ASN H 6.500 . 6.500 4.049 2.578 4.450 . 0 0 "[ . 1]" 1
22 1 8 VAL MG1 1 9 ASN H 6.500 . 6.500 3.449 2.578 4.257 . 0 0 "[ . 1]" 1
23 1 8 VAL MG2 1 9 ASN H 6.500 . 6.500 3.922 3.246 4.326 . 0 0 "[ . 1]" 1
24 1 9 ASN HA 1 11 ASN H 5.500 . 5.500 4.105 3.172 5.270 . 0 0 "[ . 1]" 1
25 1 9 ASN HB2 1 10 ASN H 6.500 . 6.500 3.998 2.054 4.613 . 0 0 "[ . 1]" 1
26 1 9 ASN HB3 1 10 ASN H 6.500 . 6.500 3.880 2.844 4.661 . 0 0 "[ . 1]" 1
27 1 10 ASN HA 1 11 ASN H 5.500 . 5.500 2.786 2.112 3.582 . 0 0 "[ . 1]" 1
28 1 10 ASN HB2 1 11 ASN H 6.500 . 6.500 4.009 2.128 4.631 . 0 0 "[ . 1]" 1
29 1 10 ASN HB3 1 11 ASN H 6.500 . 6.500 4.045 2.268 4.464 . 0 0 "[ . 1]" 1
30 1 11 ASN HB2 1 12 GLY H 6.500 . 6.500 4.105 2.579 4.621 . 0 0 "[ . 1]" 1
31 1 11 ASN HB3 1 12 GLY H 6.500 . 6.500 3.971 2.198 4.452 . 0 0 "[ . 1]" 1
32 1 13 SER HB2 1 14 SER H 6.500 . 6.500 3.749 2.390 4.423 . 0 0 "[ . 1]" 1
33 1 13 SER HB3 1 14 SER H 6.500 . 6.500 3.420 2.067 4.466 . 0 0 "[ . 1]" 1
34 1 16 VAL H 1 17 ASN H 6.500 . 6.500 3.728 2.225 4.622 . 0 0 "[ . 1]" 1
35 1 16 VAL MG1 1 17 ASN H 6.500 . 6.500 3.108 1.917 4.170 . 0 0 "[ . 1]" 1
36 1 16 VAL MG2 1 17 ASN H 6.500 . 6.500 4.066 3.753 4.355 . 0 0 "[ . 1]" 1
37 1 17 ASN H 1 18 ASN H 6.500 . 6.500 3.669 2.681 4.619 . 0 0 "[ . 1]" 1
38 1 17 ASN HB2 1 18 ASN H 6.500 . 6.500 3.844 2.109 4.625 . 0 0 "[ . 1]" 1
39 1 17 ASN HB3 1 18 ASN H 6.500 . 6.500 3.915 2.056 4.505 . 0 0 "[ . 1]" 1
40 1 18 ASN QB 1 19 GLN H 6.500 . 6.500 3.343 1.932 4.049 . 0 0 "[ . 1]" 1
41 1 19 GLN HB2 1 20 GLY H 6.500 . 6.500 3.819 2.651 4.498 . 0 0 "[ . 1]" 1
42 1 19 GLN HB3 1 20 GLY H 6.500 . 6.500 3.926 2.544 4.527 . 0 0 "[ . 1]" 1
43 1 19 GLN HG2 1 20 GLY H 6.500 . 6.500 4.533 2.476 5.297 . 0 0 "[ . 1]" 1
44 1 19 GLN HG3 1 20 GLY H 6.500 . 6.500 4.742 1.951 5.978 . 0 0 "[ . 1]" 1
45 1 21 GLU HA 1 22 HIS H 5.500 . 5.500 2.869 2.117 3.506 . 0 0 "[ . 1]" 1
46 1 21 GLU QB 1 22 HIS H 6.500 . 6.500 3.284 2.625 3.870 . 0 0 "[ . 1]" 1
47 1 21 GLU HG2 1 22 HIS H 6.500 . 6.500 4.412 3.525 5.861 . 0 0 "[ . 1]" 1
48 1 21 GLU HG3 1 22 HIS H 6.500 . 6.500 4.066 2.354 5.143 . 0 0 "[ . 1]" 1
49 1 22 HIS H 1 23 ILE H 6.500 . 6.500 4.465 4.391 4.569 . 0 0 "[ . 1]" 1
50 1 22 HIS HA 1 23 ILE H 5.500 . 5.500 2.381 2.102 2.761 . 0 0 "[ . 1]" 1
51 1 22 HIS HA 1 39 ILE H 6.500 . 6.500 5.127 4.466 6.066 . 0 0 "[ . 1]" 1
52 1 22 HIS HA 1 40 LYS HA 5.500 . 5.500 3.547 2.838 4.514 . 0 0 "[ . 1]" 1
53 1 22 HIS QB 1 23 ILE H 5.000 . 5.000 2.499 1.865 3.188 . 0 0 "[ . 1]" 1
54 1 22 HIS QB 1 39 ILE H 6.500 . 6.500 4.022 3.380 4.682 . 0 0 "[ . 1]" 1
55 1 22 HIS QB 1 40 LYS HA 5.500 . 5.500 3.369 2.268 4.619 . 0 0 "[ . 1]" 1
56 1 22 HIS HB2 1 23 ILE H 5.500 . 5.500 3.671 2.991 4.277 . 0 0 "[ . 1]" 1
57 1 22 HIS HB2 1 39 ILE H 6.500 . 6.500 5.487 4.922 6.339 . 0 0 "[ . 1]" 1
58 1 22 HIS HB2 1 40 LYS HA 6.500 . 6.500 4.821 3.767 5.810 . 0 0 "[ . 1]" 1
59 1 22 HIS HB3 1 23 ILE H 5.500 . 5.500 2.549 1.883 3.289 . 0 0 "[ . 1]" 1
60 1 22 HIS HB3 1 39 ILE H 6.500 . 6.500 4.142 3.443 4.822 . 0 0 "[ . 1]" 1
61 1 22 HIS HB3 1 40 LYS HA 6.500 . 6.500 3.451 2.286 4.849 . 0 0 "[ . 1]" 1
62 1 23 ILE H 1 38 LYS HA 6.500 . 6.500 5.029 4.810 5.290 . 0 0 "[ . 1]" 1
63 1 23 ILE H 1 38 LYS HB2 6.500 . 6.500 4.769 3.728 5.577 . 0 0 "[ . 1]" 1
64 1 23 ILE H 1 38 LYS HB3 6.500 . 6.500 5.178 3.978 6.272 . 0 0 "[ . 1]" 1
65 1 23 ILE H 1 39 ILE H 6.500 . 6.500 2.962 2.678 3.343 . 0 0 "[ . 1]" 1
66 1 23 ILE H 1 39 ILE MD 6.500 . 6.500 4.574 4.180 4.958 . 0 0 "[ . 1]" 1
67 1 23 ILE H 1 39 ILE MG 6.500 . 6.500 3.726 3.303 4.201 . 0 0 "[ . 1]" 1
68 1 23 ILE H 1 39 ILE O 4.000 . 4.000 1.934 1.800 2.156 . 0 0 "[ . 1]" 1
69 1 23 ILE H 1 40 LYS HA 6.500 . 6.500 3.826 3.407 4.453 . 0 0 "[ . 1]" 1
70 1 23 ILE HA 1 24 GLN H 5.500 . 5.500 2.454 2.339 2.540 . 0 0 "[ . 1]" 1
71 1 23 ILE HA 1 85 ASP HA 6.500 . 6.500 4.018 3.522 4.680 . 0 0 "[ . 1]" 1
72 1 23 ILE HA 1 85 ASP HB2 6.500 . 6.500 3.084 2.445 3.660 . 0 0 "[ . 1]" 1
73 1 23 ILE HA 1 85 ASP QB 5.500 . 5.500 2.768 2.203 3.605 . 0 0 "[ . 1]" 1
74 1 23 ILE HA 1 85 ASP HB3 6.500 . 6.500 3.857 2.233 5.412 . 0 0 "[ . 1]" 1
75 1 23 ILE HB 1 39 ILE MD 6.500 . 6.500 2.258 1.907 2.639 . 0 0 "[ . 1]" 1
76 1 23 ILE HB 1 85 ASP HA 6.500 . 6.500 5.212 4.649 5.788 . 0 0 "[ . 1]" 1
77 1 23 ILE MD 1 24 GLN H 6.500 . 6.500 4.312 3.734 4.625 . 0 0 "[ . 1]" 1
78 1 23 ILE MD 1 39 ILE H 6.500 . 6.500 4.989 4.663 5.357 . 0 0 "[ . 1]" 1
79 1 23 ILE MD 1 39 ILE MD 6.500 . 6.500 2.821 2.132 4.156 . 0 0 "[ . 1]" 1
80 1 23 ILE MD 1 85 ASP HA 6.500 . 6.500 4.868 3.442 5.904 . 0 0 "[ . 1]" 1
81 1 23 ILE MG 1 24 GLN H 6.500 . 6.500 1.719 1.556 1.859 . 0 0 "[ . 1]" 1
82 1 23 ILE MG 1 39 ILE MD 6.500 . 6.500 2.046 1.915 2.347 . 0 0 "[ . 1]" 1
83 1 23 ILE MG 1 85 ASP HA 6.500 . 6.500 2.548 1.881 3.142 . 0 0 "[ . 1]" 1
84 1 23 ILE MG 1 85 ASP HB2 6.500 . 6.500 2.885 2.234 3.883 . 0 0 "[ . 1]" 1
85 1 23 ILE MG 1 85 ASP HB3 6.500 . 6.500 3.282 1.530 4.751 . 0 0 "[ . 1]" 1
86 1 23 ILE N 1 39 ILE O 4.500 . 4.500 2.877 2.743 3.075 . 0 0 "[ . 1]" 1
87 1 23 ILE O 1 39 ILE H 4.000 . 4.000 1.721 1.607 1.812 . 0 0 "[ . 1]" 1
88 1 23 ILE O 1 39 ILE N 4.500 . 4.500 2.690 2.582 2.775 . 0 0 "[ . 1]" 1
89 1 24 GLN H 1 25 VAL H 6.500 . 6.500 4.158 3.927 4.265 . 0 0 "[ . 1]" 1
90 1 24 GLN H 1 38 LYS HA 6.500 . 6.500 4.398 4.205 4.655 . 0 0 "[ . 1]" 1
91 1 24 GLN H 1 38 LYS HB2 6.500 . 6.500 6.057 5.204 6.678 0.178 7 0 "[ . 1]" 1
92 1 24 GLN H 1 38 LYS HB3 6.500 . 6.500 5.653 5.083 6.510 0.010 9 0 "[ . 1]" 1
93 1 24 GLN H 1 39 ILE HA 6.500 . 6.500 6.671 6.582 6.732 0.232 5 0 "[ . 1]" 1
94 1 24 GLN H 1 39 ILE HB 6.500 . 6.500 4.516 4.266 4.688 . 0 0 "[ . 1]" 1
95 1 24 GLN H 1 39 ILE MD 6.500 . 6.500 4.153 3.839 4.366 . 0 0 "[ . 1]" 1
96 1 24 GLN H 1 39 ILE HG12 6.500 . 6.500 6.104 5.909 6.280 . 0 0 "[ . 1]" 1
97 1 24 GLN H 1 39 ILE HG13 6.500 . 6.500 4.410 4.193 4.592 . 0 0 "[ . 1]" 1
98 1 24 GLN H 1 85 ASP H 6.500 . 6.500 4.429 3.731 5.081 . 0 0 "[ . 1]" 1
99 1 24 GLN H 1 85 ASP HA 6.500 . 6.500 2.528 2.161 2.962 . 0 0 "[ . 1]" 1
100 1 24 GLN H 1 85 ASP HB2 6.500 . 6.500 3.073 2.116 3.690 . 0 0 "[ . 1]" 1
101 1 24 GLN H 1 85 ASP HB3 6.500 . 6.500 3.974 2.563 5.204 . 0 0 "[ . 1]" 1
102 1 24 GLN H 1 86 GLY H 6.500 . 6.500 3.623 3.089 4.210 . 0 0 "[ . 1]" 1
103 1 24 GLN H 1 86 GLY QA 6.500 . 6.500 5.259 4.710 5.770 . 0 0 "[ . 1]" 1
104 1 24 GLN H 1 87 ASP H 6.500 . 6.500 5.132 4.586 5.712 . 0 0 "[ . 1]" 1
105 1 24 GLN HA 1 25 VAL H 5.500 . 5.500 2.166 2.137 2.218 . 0 0 "[ . 1]" 1
106 1 24 GLN HA 1 37 PHE H 6.500 . 6.500 4.893 4.430 5.138 . 0 0 "[ . 1]" 1
107 1 24 GLN HA 1 38 LYS H 6.500 . 6.500 4.601 4.334 4.811 . 0 0 "[ . 1]" 1
108 1 24 GLN HA 1 38 LYS HA 5.000 . 5.000 1.858 1.609 2.078 . 0 0 "[ . 1]" 1
109 1 24 GLN HA 1 38 LYS HB2 5.500 . 5.500 3.959 3.272 4.512 . 0 0 "[ . 1]" 1
110 1 24 GLN HA 1 38 LYS HB3 5.500 . 5.500 3.349 3.090 3.847 . 0 0 "[ . 1]" 1
111 1 24 GLN HA 1 38 LYS HG2 6.500 . 6.500 4.463 2.691 5.616 . 0 0 "[ . 1]" 1
112 1 24 GLN HA 1 38 LYS HG3 6.500 . 6.500 5.039 3.780 5.852 . 0 0 "[ . 1]" 1
113 1 24 GLN HA 1 39 ILE H 6.500 . 6.500 3.107 2.876 3.362 . 0 0 "[ . 1]" 1
114 1 24 GLN HA 1 39 ILE MD 6.500 . 6.500 4.835 4.496 4.988 . 0 0 "[ . 1]" 1
115 1 24 GLN HB2 1 25 VAL H 6.500 . 6.500 4.245 4.097 4.418 . 0 0 "[ . 1]" 1
116 1 24 GLN HB2 1 38 LYS HA 6.500 . 6.500 4.175 3.773 4.585 . 0 0 "[ . 1]" 1
117 1 24 GLN HB2 1 39 ILE H 6.500 . 6.500 4.870 4.383 5.500 . 0 0 "[ . 1]" 1
118 1 24 GLN HB2 1 86 GLY H 6.500 . 6.500 4.518 3.923 4.840 . 0 0 "[ . 1]" 1
119 1 24 GLN HB2 1 87 ASP H 6.500 . 6.500 6.451 6.036 6.599 0.099 2 0 "[ . 1]" 1
120 1 24 GLN HB3 1 25 VAL H 6.500 . 6.500 3.832 3.255 4.120 . 0 0 "[ . 1]" 1
121 1 24 GLN HB3 1 37 PHE H 6.500 . 6.500 5.934 4.581 6.569 0.069 6 0 "[ . 1]" 1
122 1 24 GLN HB3 1 38 LYS HA 6.500 . 6.500 4.583 3.782 5.056 . 0 0 "[ . 1]" 1
123 1 24 GLN HB3 1 39 ILE H 6.500 . 6.500 5.602 5.420 5.914 . 0 0 "[ . 1]" 1
124 1 24 GLN HB3 1 86 GLY H 6.500 . 6.500 3.528 2.723 4.918 . 0 0 "[ . 1]" 1
125 1 24 GLN HB3 1 87 ASP H 6.500 . 6.500 5.422 4.840 6.538 0.038 5 0 "[ . 1]" 1
126 1 24 GLN QG 1 38 LYS HA 5.500 . 5.500 3.195 2.767 3.669 . 0 0 "[ . 1]" 1
127 1 24 GLN HG2 1 25 VAL H 6.500 . 6.500 3.273 2.423 5.169 . 0 0 "[ . 1]" 1
128 1 24 GLN HG2 1 37 PHE H 6.500 . 6.500 4.578 3.965 6.229 . 0 0 "[ . 1]" 1
129 1 24 GLN HG2 1 38 LYS H 6.500 . 6.500 5.877 4.489 6.520 0.020 10 0 "[ . 1]" 1
130 1 24 GLN HG2 1 38 LYS HA 6.500 . 6.500 4.018 2.950 4.478 . 0 0 "[ . 1]" 1
131 1 24 GLN HG2 1 39 ILE H 6.500 . 6.500 5.593 4.243 6.093 . 0 0 "[ . 1]" 1
132 1 24 GLN HG3 1 25 VAL H 6.500 . 6.500 3.711 3.008 4.896 . 0 0 "[ . 1]" 1
133 1 24 GLN HG3 1 37 PHE H 6.500 . 6.500 5.056 4.236 6.602 0.102 5 0 "[ . 1]" 1
134 1 24 GLN HG3 1 38 LYS H 6.500 . 6.500 5.439 4.766 5.776 . 0 0 "[ . 1]" 1
135 1 24 GLN HG3 1 38 LYS HA 6.500 . 6.500 3.466 2.797 3.981 . 0 0 "[ . 1]" 1
136 1 24 GLN HG3 1 39 ILE H 6.500 . 6.500 4.816 3.812 5.705 . 0 0 "[ . 1]" 1
137 1 25 VAL H 1 26 LYS H 6.500 . 6.500 4.344 4.233 4.428 . 0 0 "[ . 1]" 1
138 1 25 VAL H 1 36 PHE HA 6.500 . 6.500 4.730 4.467 5.061 . 0 0 "[ . 1]" 1
139 1 25 VAL H 1 36 PHE HB2 6.500 . 6.500 4.852 4.432 5.254 . 0 0 "[ . 1]" 1
140 1 25 VAL H 1 36 PHE HB3 6.500 . 6.500 6.105 5.689 6.518 0.018 1 0 "[ . 1]" 1
141 1 25 VAL H 1 37 PHE H 6.500 . 6.500 3.306 3.088 3.524 . 0 0 "[ . 1]" 1
142 1 25 VAL H 1 37 PHE QB 6.500 . 6.500 3.752 3.378 4.063 . 0 0 "[ . 1]" 1
143 1 25 VAL H 1 37 PHE O 4.000 . 4.000 1.806 1.712 1.950 . 0 0 "[ . 1]" 1
144 1 25 VAL H 1 38 LYS HA 6.500 . 6.500 2.802 2.690 2.910 . 0 0 "[ . 1]" 1
145 1 25 VAL H 1 38 LYS HB2 6.500 . 6.500 5.355 4.876 5.826 . 0 0 "[ . 1]" 1
146 1 25 VAL H 1 38 LYS HB3 6.500 . 6.500 4.681 4.306 5.089 . 0 0 "[ . 1]" 1
147 1 25 VAL H 1 38 LYS HG2 6.500 . 6.500 5.293 4.020 6.215 . 0 0 "[ . 1]" 1
148 1 25 VAL H 1 38 LYS HG3 6.500 . 6.500 5.918 4.359 6.649 0.149 6 0 "[ . 1]" 1
149 1 25 VAL H 1 39 ILE H 6.500 . 6.500 4.582 4.209 4.949 . 0 0 "[ . 1]" 1
150 1 25 VAL H 1 48 LEU QD 6.500 . 6.500 3.892 3.287 4.235 . 0 0 "[ . 1]" 1
151 1 25 VAL HA 1 26 LYS H 5.000 . 5.000 2.333 2.192 2.630 . 0 0 "[ . 1]" 1
152 1 25 VAL HA 1 86 GLY H 6.500 . 6.500 3.332 2.873 3.628 . 0 0 "[ . 1]" 1
153 1 25 VAL HA 1 86 GLY QA 6.500 . 6.500 4.202 3.850 4.670 . 0 0 "[ . 1]" 1
154 1 25 VAL HA 1 87 ASP H 6.500 . 6.500 3.384 3.141 3.553 . 0 0 "[ . 1]" 1
155 1 25 VAL HA 1 88 VAL H 6.500 . 6.500 5.331 5.053 5.789 . 0 0 "[ . 1]" 1
156 1 25 VAL HB 1 26 LYS H 6.500 . 6.500 3.123 2.025 4.106 . 0 0 "[ . 1]" 1
157 1 25 VAL HB 1 86 GLY H 6.500 . 6.500 5.042 4.267 5.852 . 0 0 "[ . 1]" 1
158 1 25 VAL HB 1 87 ASP H 6.500 . 6.500 4.635 4.115 5.297 . 0 0 "[ . 1]" 1
159 1 25 VAL HB 1 88 VAL H 6.500 . 6.500 5.500 4.999 6.504 0.004 7 0 "[ . 1]" 1
160 1 25 VAL QG 1 37 PHE H 6.500 . 6.500 3.378 2.977 3.983 . 0 0 "[ . 1]" 1
161 1 25 VAL QG 1 38 LYS H 6.500 . 6.500 4.127 3.419 4.834 . 0 0 "[ . 1]" 1
162 1 25 VAL QG 1 88 VAL H 6.500 . 6.500 4.352 3.438 5.058 . 0 0 "[ . 1]" 1
163 1 25 VAL MG1 1 26 LYS H 6.500 . 6.500 3.758 3.554 3.922 . 0 0 "[ . 1]" 1
164 1 25 VAL MG1 1 86 GLY H 6.500 . 6.500 4.311 2.965 5.691 . 0 0 "[ . 1]" 1
165 1 25 VAL MG1 1 87 ASP H 6.500 . 6.500 4.105 2.629 5.862 . 0 0 "[ . 1]" 1
166 1 25 VAL MG2 1 26 LYS H 6.500 . 6.500 3.008 2.368 3.893 . 0 0 "[ . 1]" 1
167 1 25 VAL MG2 1 86 GLY H 6.500 . 6.500 5.208 4.434 5.699 . 0 0 "[ . 1]" 1
168 1 25 VAL MG2 1 87 ASP H 6.500 . 6.500 4.924 3.677 5.782 . 0 0 "[ . 1]" 1
169 1 25 VAL N 1 37 PHE O 4.500 . 4.500 2.756 2.676 2.904 . 0 0 "[ . 1]" 1
170 1 25 VAL O 1 37 PHE H 4.000 . 4.000 1.801 1.681 2.015 . 0 0 "[ . 1]" 1
171 1 25 VAL O 1 37 PHE N 4.500 . 4.500 2.711 2.600 2.862 . 0 0 "[ . 1]" 1
172 1 26 LYS H 1 26 LYS HD2 6.500 . 6.500 5.356 4.241 5.696 . 0 0 "[ . 1]" 1
173 1 26 LYS H 1 26 LYS HD3 6.500 . 6.500 5.695 4.364 6.155 . 0 0 "[ . 1]" 1
174 1 26 LYS H 1 26 LYS HE2 6.500 . 6.500 5.492 4.653 6.423 . 0 0 "[ . 1]" 1
175 1 26 LYS H 1 26 LYS HE3 6.500 . 6.500 4.407 3.897 5.621 . 0 0 "[ . 1]" 1
176 1 26 LYS H 1 27 VAL H 6.500 . 6.500 4.278 4.045 4.508 . 0 0 "[ . 1]" 1
177 1 26 LYS H 1 86 GLY QA 6.500 . 6.500 5.169 4.830 5.752 . 0 0 "[ . 1]" 1
178 1 26 LYS H 1 87 ASP H 6.500 . 6.500 4.728 4.487 5.098 . 0 0 "[ . 1]" 1
179 1 26 LYS H 1 87 ASP HB2 6.500 . 6.500 5.719 5.351 6.188 . 0 0 "[ . 1]" 1
180 1 26 LYS H 1 87 ASP HB3 6.500 . 6.500 5.378 4.403 6.197 . 0 0 "[ . 1]" 1
181 1 26 LYS H 1 87 ASP O 4.000 . 4.000 1.981 1.757 2.412 . 0 0 "[ . 1]" 1
182 1 26 LYS H 1 88 VAL HA 5.000 . 5.000 2.277 2.015 2.513 . 0 0 "[ . 1]" 1
183 1 26 LYS H 1 88 VAL HB 6.500 . 6.500 4.266 4.048 4.547 . 0 0 "[ . 1]" 1
184 1 26 LYS H 1 88 VAL MG1 6.500 . 6.500 3.066 2.666 3.445 . 0 0 "[ . 1]" 1
185 1 26 LYS H 1 88 VAL MG2 6.500 . 6.500 4.926 4.741 5.138 . 0 0 "[ . 1]" 1
186 1 26 LYS H 1 89 ILE H 6.500 . 6.500 3.860 3.579 4.119 . 0 0 "[ . 1]" 1
187 1 26 LYS HA 1 27 VAL H 5.500 . 5.500 2.153 2.102 2.209 . 0 0 "[ . 1]" 1
188 1 26 LYS HA 1 34 GLU HA 6.500 . 6.500 5.425 5.285 5.770 . 0 0 "[ . 1]" 1
189 1 26 LYS HA 1 34 GLU HB2 6.500 . 6.500 6.641 6.586 6.749 0.249 1 0 "[ . 1]" 1
190 1 26 LYS HA 1 34 GLU HB3 6.500 . 6.500 6.215 5.647 6.455 . 0 0 "[ . 1]" 1
191 1 26 LYS HA 1 35 VAL H 6.500 . 6.500 4.638 4.417 5.087 . 0 0 "[ . 1]" 1
192 1 26 LYS HA 1 36 PHE H 6.500 . 6.500 4.780 4.420 5.176 . 0 0 "[ . 1]" 1
193 1 26 LYS HA 1 36 PHE HA 6.500 . 6.500 2.481 2.137 2.749 . 0 0 "[ . 1]" 1
194 1 26 LYS HA 1 37 PHE H 6.500 . 6.500 2.668 2.455 2.871 . 0 0 "[ . 1]" 1
195 1 26 LYS HA 1 89 ILE H 6.500 . 6.500 4.831 4.708 4.969 . 0 0 "[ . 1]" 1
196 1 26 LYS QB 1 34 GLU HA 6.500 . 6.500 4.338 4.053 4.745 . 0 0 "[ . 1]" 1
197 1 26 LYS QB 1 34 GLU QB 5.500 . 5.500 3.836 3.422 4.143 . 0 0 "[ . 1]" 1
198 1 26 LYS QB 1 88 VAL HA 5.500 . 5.500 3.078 2.778 3.321 . 0 0 "[ . 1]" 1
199 1 26 LYS HB2 1 27 VAL H 6.500 . 6.500 4.505 4.292 4.562 . 0 0 "[ . 1]" 1
200 1 26 LYS HB2 1 34 GLU HA 6.500 . 6.500 6.105 5.879 6.426 . 0 0 "[ . 1]" 1
201 1 26 LYS HB2 1 34 GLU HB2 6.500 . 6.500 6.176 5.897 6.572 0.072 10 0 "[ . 1]" 1
202 1 26 LYS HB2 1 34 GLU HB3 6.500 . 6.500 5.629 4.965 6.086 . 0 0 "[ . 1]" 1
203 1 26 LYS HB2 1 36 PHE HA 6.500 . 6.500 3.975 3.537 4.321 . 0 0 "[ . 1]" 1
204 1 26 LYS HB2 1 88 VAL HA 5.500 . 5.500 3.349 2.926 3.557 . 0 0 "[ . 1]" 1
205 1 26 LYS HB2 1 89 ILE H 6.500 . 6.500 4.771 4.398 4.988 . 0 0 "[ . 1]" 1
206 1 26 LYS HB3 1 27 VAL H 6.500 . 6.500 3.641 3.164 3.916 . 0 0 "[ . 1]" 1
207 1 26 LYS HB3 1 34 GLU HA 6.500 . 6.500 4.440 4.131 4.887 . 0 0 "[ . 1]" 1
208 1 26 LYS HB3 1 34 GLU HB2 6.500 . 6.500 4.608 4.372 4.913 . 0 0 "[ . 1]" 1
209 1 26 LYS HB3 1 34 GLU HB3 5.500 . 5.500 4.303 3.691 4.686 . 0 0 "[ . 1]" 1
210 1 26 LYS HB3 1 36 PHE HA 6.500 . 6.500 4.249 4.139 4.383 . 0 0 "[ . 1]" 1
211 1 26 LYS HB3 1 88 VAL HA 5.500 . 5.500 3.626 3.128 4.189 . 0 0 "[ . 1]" 1
212 1 26 LYS HB3 1 89 ILE H 6.500 . 6.500 4.203 3.790 4.562 . 0 0 "[ . 1]" 1
213 1 26 LYS QD 1 37 PHE H 6.500 . 6.500 5.203 4.164 5.562 . 0 0 "[ . 1]" 1
214 1 26 LYS HD2 1 27 VAL H 6.500 . 6.500 5.595 5.390 6.046 . 0 0 "[ . 1]" 1
215 1 26 LYS HD3 1 27 VAL H 6.500 . 6.500 5.947 5.315 6.174 . 0 0 "[ . 1]" 1
216 1 26 LYS QG 1 37 PHE QB 6.500 . 6.500 4.692 4.154 5.064 . 0 0 "[ . 1]" 1
217 1 26 LYS HG2 1 27 VAL H 6.500 . 6.500 3.614 3.394 3.912 . 0 0 "[ . 1]" 1
218 1 26 LYS HG2 1 29 SER H 6.500 . 6.500 6.689 6.646 6.758 0.258 7 0 "[ . 1]" 1
219 1 26 LYS HG2 1 34 GLU HA 6.500 . 6.500 4.259 3.987 4.947 . 0 0 "[ . 1]" 1
220 1 26 LYS HG2 1 35 VAL H 6.500 . 6.500 3.698 3.427 4.065 . 0 0 "[ . 1]" 1
221 1 26 LYS HG2 1 36 PHE HA 6.500 . 6.500 2.474 1.916 2.866 . 0 0 "[ . 1]" 1
222 1 26 LYS HG2 1 37 PHE HA 6.500 . 6.500 6.529 6.023 6.709 0.209 10 0 "[ . 1]" 1
223 1 26 LYS HG2 1 37 PHE HB2 6.500 . 6.500 5.706 5.068 6.138 . 0 0 "[ . 1]" 1
224 1 26 LYS HG2 1 37 PHE HB3 6.500 . 6.500 6.488 6.317 6.637 0.137 1 0 "[ . 1]" 1
225 1 26 LYS HG3 1 27 VAL H 6.500 . 6.500 4.380 3.805 4.549 . 0 0 "[ . 1]" 1
226 1 26 LYS HG3 1 34 GLU HA 6.500 . 6.500 5.949 5.388 6.569 0.069 1 0 "[ . 1]" 1
227 1 26 LYS HG3 1 35 VAL H 6.500 . 6.500 5.294 4.776 5.780 . 0 0 "[ . 1]" 1
228 1 26 LYS HG3 1 36 PHE HA 5.500 . 5.500 1.848 1.308 2.161 . 0 0 "[ . 1]" 1
229 1 26 LYS HG3 1 37 PHE HA 6.500 . 6.500 6.052 5.336 6.399 . 0 0 "[ . 1]" 1
230 1 26 LYS HG3 1 37 PHE HB2 6.500 . 6.500 5.695 4.623 6.461 . 0 0 "[ . 1]" 1
231 1 26 LYS HG3 1 37 PHE HB3 6.500 . 6.500 6.137 5.266 6.518 0.018 4 0 "[ . 1]" 1
232 1 26 LYS N 1 87 ASP O 4.500 . 4.500 2.890 2.696 3.069 . 0 0 "[ . 1]" 1
233 1 26 LYS O 1 89 ILE H 4.000 . 4.000 1.749 1.650 1.874 . 0 0 "[ . 1]" 1
234 1 26 LYS O 1 89 ILE N 4.500 . 4.500 2.677 2.607 2.788 . 0 0 "[ . 1]" 1
235 1 27 VAL H 1 28 ARG H 6.500 . 6.500 4.023 3.930 4.134 . 0 0 "[ . 1]" 1
236 1 27 VAL H 1 29 SER HA 6.500 . 6.500 6.844 6.704 6.923 0.423 1 0 "[ . 1]" 1
237 1 27 VAL H 1 29 SER QB 6.500 . 6.500 6.585 6.436 6.776 0.276 2 0 "[ . 1]" 1
238 1 27 VAL H 1 34 GLU QB 6.500 . 6.500 5.616 5.259 5.880 . 0 0 "[ . 1]" 1
239 1 27 VAL H 1 35 VAL H 6.500 . 6.500 3.739 3.378 4.455 . 0 0 "[ . 1]" 1
240 1 27 VAL H 1 35 VAL HB 6.500 . 6.500 4.567 4.070 5.608 . 0 0 "[ . 1]" 1
241 1 27 VAL H 1 35 VAL MG1 6.500 . 6.500 5.203 4.795 6.041 . 0 0 "[ . 1]" 1
242 1 27 VAL H 1 35 VAL QG 6.500 . 6.500 4.710 4.398 5.418 . 0 0 "[ . 1]" 1
243 1 27 VAL H 1 35 VAL MG2 6.500 . 6.500 5.385 5.114 6.124 . 0 0 "[ . 1]" 1
244 1 27 VAL H 1 35 VAL O 4.500 . 4.500 2.620 2.151 3.283 . 0 0 "[ . 1]" 1
245 1 27 VAL H 1 36 PHE HA 6.500 . 6.500 4.113 3.732 4.414 . 0 0 "[ . 1]" 1
246 1 27 VAL H 1 88 VAL HA 6.500 . 6.500 4.968 4.866 5.065 . 0 0 "[ . 1]" 1
247 1 27 VAL H 1 88 VAL HB 6.500 . 6.500 5.570 5.449 5.715 . 0 0 "[ . 1]" 1
248 1 27 VAL H 1 88 VAL MG1 6.500 . 6.500 5.289 5.093 5.438 . 0 0 "[ . 1]" 1
249 1 27 VAL H 1 88 VAL MG2 6.500 . 6.500 6.626 6.566 6.709 0.209 5 0 "[ . 1]" 1
250 1 27 VAL HA 1 29 SER H 6.500 . 6.500 5.316 5.209 5.455 . 0 0 "[ . 1]" 1
251 1 27 VAL HA 1 88 VAL HA 6.500 . 6.500 4.104 3.870 4.413 . 0 0 "[ . 1]" 1
252 1 27 VAL HA 1 88 VAL QG 6.500 . 6.500 4.567 4.417 4.693 . 0 0 "[ . 1]" 1
253 1 27 VAL HA 1 89 ILE H 6.500 . 6.500 2.280 2.034 2.524 . 0 0 "[ . 1]" 1
254 1 27 VAL HA 1 89 ILE HB 5.500 . 5.500 2.352 2.158 2.633 . 0 0 "[ . 1]" 1
255 1 27 VAL HA 1 89 ILE MD 6.500 . 6.500 4.030 3.807 4.298 . 0 0 "[ . 1]" 1
256 1 27 VAL HA 1 89 ILE MG 6.500 . 6.500 3.773 3.587 4.045 . 0 0 "[ . 1]" 1
257 1 27 VAL HB 1 28 ARG H 6.500 . 6.500 4.439 4.381 4.492 . 0 0 "[ . 1]" 1
258 1 27 VAL HB 1 29 SER QB 6.500 . 6.500 5.461 4.848 6.206 . 0 0 "[ . 1]" 1
259 1 27 VAL HB 1 34 GLU HG2 6.500 . 6.500 6.361 5.910 6.523 0.023 8 0 "[ . 1]" 1
260 1 27 VAL HB 1 34 GLU HG3 6.500 . 6.500 5.773 5.292 6.072 . 0 0 "[ . 1]" 1
261 1 27 VAL HB 1 35 VAL HB 6.500 . 6.500 4.974 4.112 6.362 . 0 0 "[ . 1]" 1
262 1 27 VAL HB 1 48 LEU HA 6.500 . 6.500 6.660 6.547 6.720 0.220 3 0 "[ . 1]" 1
263 1 27 VAL HB 1 89 ILE H 6.500 . 6.500 5.214 4.971 5.433 . 0 0 "[ . 1]" 1
264 1 27 VAL HB 1 91 ALA H 6.500 . 6.500 6.543 6.308 6.657 0.157 2 0 "[ . 1]" 1
265 1 27 VAL QG 1 28 ARG H 6.500 . 6.500 3.199 3.078 3.292 . 0 0 "[ . 1]" 1
266 1 27 VAL QG 1 29 SER H 6.500 . 6.500 3.891 3.661 4.013 . 0 0 "[ . 1]" 1
267 1 27 VAL QG 1 34 GLU QB 6.500 . 6.500 5.761 5.525 6.005 . 0 0 "[ . 1]" 1
268 1 27 VAL QG 1 35 VAL H 6.500 . 6.500 4.736 4.400 5.314 . 0 0 "[ . 1]" 1
269 1 27 VAL QG 1 48 LEU H 6.500 . 6.500 5.446 5.161 5.747 . 0 0 "[ . 1]" 1
270 1 27 VAL QG 1 49 MET H 6.500 . 6.500 4.435 3.701 4.928 . 0 0 "[ . 1]" 1
271 1 27 VAL QG 1 52 TYR H 6.500 . 6.500 4.661 4.222 5.214 . 0 0 "[ . 1]" 1
272 1 27 VAL QG 1 88 VAL H 6.500 . 6.500 6.225 6.029 6.496 . 0 0 "[ . 1]" 1
273 1 27 VAL QG 1 89 ILE H 6.500 . 6.500 3.307 3.094 3.539 . 0 0 "[ . 1]" 1
274 1 27 VAL QG 1 90 ASP H 6.500 . 6.500 4.436 4.134 4.669 . 0 0 "[ . 1]" 1
275 1 27 VAL QG 1 91 ALA H 6.500 . 6.500 3.693 3.372 3.860 . 0 0 "[ . 1]" 1
276 1 27 VAL MG1 1 28 ARG H 6.500 . 6.500 3.319 3.183 3.430 . 0 0 "[ . 1]" 1
277 1 27 VAL MG1 1 52 TYR H 6.500 . 6.500 5.254 4.791 5.755 . 0 0 "[ . 1]" 1
278 1 27 VAL MG1 1 89 ILE H 6.500 . 6.500 4.045 3.712 4.309 . 0 0 "[ . 1]" 1
279 1 27 VAL MG1 1 89 ILE MD 6.500 . 6.500 3.631 3.332 3.931 . 0 0 "[ . 1]" 1
280 1 27 VAL MG2 1 28 ARG H 6.500 . 6.500 4.194 4.084 4.281 . 0 0 "[ . 1]" 1
281 1 27 VAL MG2 1 52 TYR H 6.500 . 6.500 5.229 4.691 5.963 . 0 0 "[ . 1]" 1
282 1 27 VAL MG2 1 89 ILE H 6.500 . 6.500 3.512 3.312 3.761 . 0 0 "[ . 1]" 1
283 1 27 VAL MG2 1 89 ILE MD 6.500 . 6.500 2.045 1.742 2.379 . 0 0 "[ . 1]" 1
284 1 27 VAL N 1 35 VAL O 4.500 . 4.500 3.475 3.074 4.076 . 0 0 "[ . 1]" 1
285 1 27 VAL O 1 35 VAL H 4.500 . 4.500 3.003 2.515 3.760 . 0 0 "[ . 1]" 1
286 1 27 VAL O 1 35 VAL N 4.500 . 4.500 3.907 3.447 4.504 0.004 10 0 "[ . 1]" 1
287 1 28 ARG H 1 28 ARG HD2 6.500 . 6.500 5.499 4.888 5.965 . 0 0 "[ . 1]" 1
288 1 28 ARG H 1 28 ARG HD3 6.500 . 6.500 4.722 4.548 4.865 . 0 0 "[ . 1]" 1
289 1 28 ARG H 1 29 SER H 6.500 . 6.500 4.235 4.173 4.309 . 0 0 "[ . 1]" 1
290 1 28 ARG H 1 29 SER QB 6.500 . 6.500 5.985 5.861 6.085 . 0 0 "[ . 1]" 1
291 1 28 ARG H 1 88 VAL HA 6.500 . 6.500 4.618 4.385 4.873 . 0 0 "[ . 1]" 1
292 1 28 ARG H 1 88 VAL HB 6.500 . 6.500 3.556 3.296 3.764 . 0 0 "[ . 1]" 1
293 1 28 ARG H 1 88 VAL MG1 6.500 . 6.500 4.690 4.393 4.895 . 0 0 "[ . 1]" 1
294 1 28 ARG H 1 88 VAL MG2 6.500 . 6.500 4.576 4.453 4.743 . 0 0 "[ . 1]" 1
295 1 28 ARG H 1 89 ILE H 5.500 . 5.500 2.879 2.720 3.030 . 0 0 "[ . 1]" 1
296 1 28 ARG H 1 89 ILE HA 6.500 . 6.500 4.764 4.559 4.917 . 0 0 "[ . 1]" 1
297 1 28 ARG H 1 89 ILE MD 6.500 . 6.500 5.706 5.571 5.923 . 0 0 "[ . 1]" 1
298 1 28 ARG H 1 89 ILE MG 6.500 . 6.500 4.678 4.549 4.881 . 0 0 "[ . 1]" 1
299 1 28 ARG H 1 89 ILE O 4.000 . 4.000 2.065 1.909 2.408 . 0 0 "[ . 1]" 1
300 1 28 ARG H 1 90 ASP HA 5.500 . 5.500 3.191 2.886 3.643 . 0 0 "[ . 1]" 1
301 1 28 ARG H 1 90 ASP HB2 6.500 . 6.500 4.725 4.233 5.452 . 0 0 "[ . 1]" 1
302 1 28 ARG H 1 90 ASP HB3 6.500 . 6.500 5.850 5.455 6.222 . 0 0 "[ . 1]" 1
303 1 28 ARG H 1 91 ALA H 6.500 . 6.500 4.522 4.182 5.059 . 0 0 "[ . 1]" 1
304 1 28 ARG H 1 91 ALA MB 6.500 . 6.500 5.308 4.997 5.782 . 0 0 "[ . 1]" 1
305 1 28 ARG HA 1 29 SER H 5.000 . 5.000 2.086 2.026 2.110 . 0 0 "[ . 1]" 1
306 1 28 ARG HA 1 32 GLY H 6.500 . 6.500 5.136 4.802 6.348 . 0 0 "[ . 1]" 1
307 1 28 ARG HA 1 33 ALA H 6.500 . 6.500 4.967 4.685 5.174 . 0 0 "[ . 1]" 1
308 1 28 ARG HA 1 35 VAL H 6.500 . 6.500 3.584 3.132 4.245 . 0 0 "[ . 1]" 1
309 1 28 ARG HA 1 90 ASP HA 6.500 . 6.500 4.873 4.450 5.282 . 0 0 "[ . 1]" 1
310 1 28 ARG HA 1 91 ALA H 6.500 . 6.500 5.440 4.965 5.984 . 0 0 "[ . 1]" 1
311 1 28 ARG HB2 1 29 SER H 6.500 . 6.500 4.306 4.220 4.353 . 0 0 "[ . 1]" 1
312 1 28 ARG HB2 1 31 ASP H 6.500 . 6.500 6.603 6.560 6.653 0.153 4 0 "[ . 1]" 1
313 1 28 ARG HB2 1 90 ASP HA 6.500 . 6.500 4.337 3.810 5.068 . 0 0 "[ . 1]" 1
314 1 28 ARG HB2 1 91 ALA H 6.500 . 6.500 5.675 5.107 6.409 . 0 0 "[ . 1]" 1
315 1 28 ARG HB3 1 29 SER H 6.500 . 6.500 4.412 4.366 4.508 . 0 0 "[ . 1]" 1
316 1 28 ARG HB3 1 31 ASP H 6.500 . 6.500 6.234 5.985 6.551 0.051 1 0 "[ . 1]" 1
317 1 28 ARG HB3 1 90 ASP HA 5.000 . 5.000 2.652 2.136 3.367 . 0 0 "[ . 1]" 1
318 1 28 ARG HB3 1 91 ALA H 6.500 . 6.500 4.077 3.521 4.879 . 0 0 "[ . 1]" 1
319 1 28 ARG HD2 1 29 SER H 6.500 . 6.500 5.826 5.729 5.929 . 0 0 "[ . 1]" 1
320 1 28 ARG HD2 1 31 ASP H 6.500 . 6.500 5.926 5.279 6.568 0.068 9 0 "[ . 1]" 1
321 1 28 ARG HD2 1 32 GLY H 6.500 . 6.500 4.637 3.944 5.604 . 0 0 "[ . 1]" 1
322 1 28 ARG HD2 1 33 ALA H 6.500 . 6.500 5.597 5.186 6.377 . 0 0 "[ . 1]" 1
323 1 28 ARG HD3 1 29 SER H 6.500 . 6.500 5.894 5.790 6.046 . 0 0 "[ . 1]" 1
324 1 28 ARG HD3 1 31 ASP H 6.500 . 6.500 6.387 5.865 6.624 0.124 6 0 "[ . 1]" 1
325 1 28 ARG HD3 1 32 GLY H 6.500 . 6.500 5.361 5.027 5.644 . 0 0 "[ . 1]" 1
326 1 28 ARG HD3 1 33 ALA H 6.500 . 6.500 6.474 6.112 6.560 0.060 4 0 "[ . 1]" 1
327 1 28 ARG HD3 1 89 ILE H 6.500 . 6.500 6.606 6.557 6.674 0.174 6 0 "[ . 1]" 1
328 1 28 ARG HD3 1 91 ALA H 6.500 . 6.500 5.763 4.612 6.408 . 0 0 "[ . 1]" 1
329 1 28 ARG QG 1 32 GLY QA 6.500 . 6.500 2.593 2.104 4.210 . 0 0 "[ . 1]" 1
330 1 28 ARG QG 1 34 GLU QB 6.500 . 6.500 2.760 2.412 3.180 . 0 0 "[ . 1]" 1
331 1 28 ARG HG2 1 29 SER H 6.500 . 6.500 3.729 3.450 3.942 . 0 0 "[ . 1]" 1
332 1 28 ARG HG2 1 31 ASP HA 6.500 . 6.500 6.180 5.862 6.535 0.035 2 0 "[ . 1]" 1
333 1 28 ARG HG2 1 34 GLU HA 6.500 . 6.500 4.796 4.629 5.092 . 0 0 "[ . 1]" 1
334 1 28 ARG HG2 1 34 GLU HG2 6.500 . 6.500 6.452 6.283 6.580 0.080 1 0 "[ . 1]" 1
335 1 28 ARG HG2 1 34 GLU HG3 6.500 . 6.500 4.849 4.542 5.009 . 0 0 "[ . 1]" 1
336 1 28 ARG HG2 1 90 ASP HA 5.500 . 5.500 4.011 3.687 4.309 . 0 0 "[ . 1]" 1
337 1 28 ARG HG2 1 91 ALA H 6.500 . 6.500 4.306 3.563 4.818 . 0 0 "[ . 1]" 1
338 1 28 ARG HG3 1 29 SER H 6.500 . 6.500 3.663 3.553 3.764 . 0 0 "[ . 1]" 1
339 1 28 ARG HG3 1 31 ASP HA 6.500 . 6.500 6.620 6.560 6.736 0.236 1 0 "[ . 1]" 1
340 1 28 ARG HG3 1 34 GLU HA 6.500 . 6.500 3.745 3.539 4.117 . 0 0 "[ . 1]" 1
341 1 28 ARG HG3 1 34 GLU HG2 6.500 . 6.500 5.306 5.056 5.576 . 0 0 "[ . 1]" 1
342 1 28 ARG HG3 1 34 GLU HG3 5.500 . 5.500 3.948 3.530 4.347 . 0 0 "[ . 1]" 1
343 1 28 ARG HG3 1 35 VAL H 6.500 . 6.500 5.833 5.674 6.265 . 0 0 "[ . 1]" 1
344 1 28 ARG HG3 1 90 ASP HA 6.500 . 6.500 5.283 4.894 5.633 . 0 0 "[ . 1]" 1
345 1 28 ARG HG3 1 91 ALA H 6.500 . 6.500 5.857 5.151 6.410 . 0 0 "[ . 1]" 1
346 1 28 ARG N 1 89 ILE O 4.500 . 4.500 2.707 2.660 2.886 . 0 0 "[ . 1]" 1
347 1 28 ARG O 1 91 ALA H 4.000 . 4.000 2.328 1.842 3.032 . 0 0 "[ . 1]" 1
348 1 28 ARG O 1 91 ALA N 4.500 . 4.500 3.281 2.809 3.973 . 0 0 "[ . 1]" 1
349 1 29 SER H 1 31 ASP H 6.500 . 6.500 4.467 4.310 4.891 . 0 0 "[ . 1]" 1
350 1 29 SER H 1 32 GLY H 6.500 . 6.500 4.527 4.080 5.929 . 0 0 "[ . 1]" 1
351 1 29 SER H 1 33 ALA H 6.500 . 6.500 4.156 3.829 4.575 . 0 0 "[ . 1]" 1
352 1 29 SER H 1 33 ALA O 4.500 . 4.500 2.152 1.890 2.685 . 0 0 "[ . 1]" 1
353 1 29 SER H 1 34 GLU HA 5.500 . 5.500 2.845 2.401 3.098 . 0 0 "[ . 1]" 1
354 1 29 SER H 1 34 GLU HB2 6.500 . 6.500 4.505 4.032 4.870 . 0 0 "[ . 1]" 1
355 1 29 SER H 1 34 GLU HB3 6.500 . 6.500 5.608 5.380 5.933 . 0 0 "[ . 1]" 1
356 1 29 SER H 1 35 VAL H 6.500 . 6.500 3.790 3.049 4.496 . 0 0 "[ . 1]" 1
357 1 29 SER H 1 91 ALA H 6.500 . 6.500 5.273 4.909 5.765 . 0 0 "[ . 1]" 1
358 1 29 SER HA 1 30 PRO QG 6.500 . 6.500 4.194 3.993 4.314 . 0 0 "[ . 1]" 1
359 1 29 SER HA 1 31 ASP H 6.500 . 6.500 4.224 4.147 4.344 . 0 0 "[ . 1]" 1
360 1 29 SER HA 1 34 GLU HA 6.500 . 6.500 5.530 5.148 5.795 . 0 0 "[ . 1]" 1
361 1 29 SER HA 1 90 ASP QB 6.500 . 6.500 6.650 6.587 6.773 0.273 4 0 "[ . 1]" 1
362 1 29 SER HA 1 91 ALA H 6.500 . 6.500 3.733 3.463 4.110 . 0 0 "[ . 1]" 1
363 1 29 SER QB 1 31 ASP H 6.500 . 6.500 3.484 3.289 3.638 . 0 0 "[ . 1]" 1
364 1 29 SER QB 1 91 ALA H 6.500 . 6.500 5.474 5.188 5.843 . 0 0 "[ . 1]" 1
365 1 29 SER N 1 33 ALA O 4.500 . 4.500 2.998 2.804 3.312 . 0 0 "[ . 1]" 1
366 1 30 PRO HB2 1 91 ALA H 6.500 . 6.500 6.226 5.523 6.519 0.019 4 0 "[ . 1]" 1
367 1 30 PRO HB3 1 91 ALA H 6.500 . 6.500 4.726 3.804 5.148 . 0 0 "[ . 1]" 1
368 1 31 ASP H 1 32 GLY H 5.500 . 5.500 1.745 1.643 2.103 . 0 0 "[ . 1]" 1
369 1 31 ASP H 1 32 GLY QA 6.500 . 6.500 3.807 3.756 4.004 . 0 0 "[ . 1]" 1
370 1 31 ASP H 1 33 ALA H 6.500 . 6.500 3.001 2.487 3.292 . 0 0 "[ . 1]" 1
371 1 31 ASP H 1 33 ALA MB 6.500 . 6.500 4.106 3.601 4.326 . 0 0 "[ . 1]" 1
372 1 31 ASP HA 1 33 ALA H 6.500 . 6.500 4.502 4.276 4.716 . 0 0 "[ . 1]" 1
373 1 31 ASP QB 1 32 GLY H 6.500 . 6.500 3.265 3.028 3.650 . 0 0 "[ . 1]" 1
374 1 31 ASP QB 1 33 ALA H 6.500 . 6.500 2.930 2.530 3.871 . 0 0 "[ . 1]" 1
375 1 31 ASP HB2 1 32 GLY H 6.500 . 6.500 4.240 4.129 4.410 . 0 0 "[ . 1]" 1
376 1 31 ASP HB2 1 33 ALA H 6.500 . 6.500 4.416 4.142 5.036 . 0 0 "[ . 1]" 1
377 1 31 ASP HB3 1 32 GLY H 6.500 . 6.500 3.411 3.105 3.939 . 0 0 "[ . 1]" 1
378 1 31 ASP HB3 1 33 ALA H 6.500 . 6.500 3.009 2.553 4.298 . 0 0 "[ . 1]" 1
379 1 32 GLY H 1 33 ALA H 5.500 . 5.500 2.244 2.095 2.415 . 0 0 "[ . 1]" 1
380 1 32 GLY H 1 33 ALA MB 6.500 . 6.500 4.025 3.905 4.230 . 0 0 "[ . 1]" 1
381 1 32 GLY H 1 34 GLU HB2 6.500 . 6.500 5.711 5.334 6.303 . 0 0 "[ . 1]" 1
382 1 32 GLY QA 1 33 ALA H 5.500 . 5.500 2.884 2.823 2.919 . 0 0 "[ . 1]" 1
383 1 32 GLY QA 1 34 GLU H 6.500 . 6.500 4.593 3.975 5.924 . 0 0 "[ . 1]" 1
384 1 32 GLY HA2 1 33 ALA H 5.500 . 5.500 3.275 2.998 3.403 . 0 0 "[ . 1]" 1
385 1 32 GLY HA3 1 33 ALA H 5.500 . 5.500 3.229 3.070 3.443 . 0 0 "[ . 1]" 1
386 1 33 ALA H 1 34 GLU H 6.500 . 6.500 4.175 3.714 4.433 . 0 0 "[ . 1]" 1
387 1 33 ALA HA 1 34 GLU H 5.500 . 5.500 2.214 2.121 2.436 . 0 0 "[ . 1]" 1
388 1 33 ALA MB 1 34 GLU H 6.500 . 6.500 3.376 2.402 3.665 . 0 0 "[ . 1]" 1
389 1 34 GLU H 1 35 VAL H 6.500 . 6.500 4.137 3.953 4.378 . 0 0 "[ . 1]" 1
390 1 34 GLU HA 1 35 VAL H 5.500 . 5.500 2.168 2.134 2.193 . 0 0 "[ . 1]" 1
391 1 34 GLU HA 1 35 VAL HA 6.500 . 6.500 4.407 4.372 4.427 . 0 0 "[ . 1]" 1
392 1 35 VAL H 1 36 PHE H 6.500 . 6.500 4.474 4.421 4.520 . 0 0 "[ . 1]" 1
393 1 35 VAL HA 1 36 PHE H 5.500 . 5.500 2.193 2.136 2.294 . 0 0 "[ . 1]" 1
394 1 35 VAL HB 1 36 PHE H 6.500 . 6.500 4.021 3.851 4.102 . 0 0 "[ . 1]" 1
395 1 35 VAL QG 1 36 PHE H 6.500 . 6.500 2.455 2.228 2.597 . 0 0 "[ . 1]" 1
396 1 35 VAL MG1 1 36 PHE H 6.500 . 6.500 2.477 2.239 2.628 . 0 0 "[ . 1]" 1
397 1 35 VAL MG2 1 36 PHE H 6.500 . 6.500 4.029 3.977 4.059 . 0 0 "[ . 1]" 1
398 1 36 PHE H 1 37 PHE H 6.500 . 6.500 4.435 4.297 4.529 . 0 0 "[ . 1]" 1
399 1 36 PHE HA 1 37 PHE H 5.500 . 5.500 2.087 2.047 2.123 . 0 0 "[ . 1]" 1
400 1 36 PHE HB2 1 37 PHE H 6.500 . 6.500 3.391 3.147 3.704 . 0 0 "[ . 1]" 1
401 1 36 PHE HB3 1 37 PHE H 6.500 . 6.500 4.191 4.036 4.358 . 0 0 "[ . 1]" 1
402 1 37 PHE H 1 38 LYS H 6.500 . 6.500 4.436 4.304 4.508 . 0 0 "[ . 1]" 1
403 1 37 PHE H 1 48 LEU QD 6.500 . 6.500 4.780 4.181 5.209 . 0 0 "[ . 1]" 1
404 1 37 PHE H 1 48 LEU MD2 6.500 . 6.500 4.981 4.319 5.431 . 0 0 "[ . 1]" 1
405 1 37 PHE HA 1 38 LYS H 5.500 . 5.500 2.505 2.207 2.689 . 0 0 "[ . 1]" 1
406 1 37 PHE HA 1 48 LEU QD 6.500 . 6.500 4.709 4.134 5.057 . 0 0 "[ . 1]" 1
407 1 37 PHE QB 1 48 LEU QD 6.500 . 6.500 2.724 2.248 3.098 . 0 0 "[ . 1]" 1
408 1 37 PHE HB2 1 38 LYS H 6.500 . 6.500 4.030 3.800 4.388 . 0 0 "[ . 1]" 1
409 1 37 PHE HB3 1 38 LYS H 6.500 . 6.500 3.248 2.453 3.802 . 0 0 "[ . 1]" 1
410 1 38 LYS H 1 38 LYS HD2 6.500 . 6.500 4.397 1.976 5.356 . 0 0 "[ . 1]" 1
411 1 38 LYS H 1 38 LYS HD3 6.500 . 6.500 4.638 3.543 5.348 . 0 0 "[ . 1]" 1
412 1 38 LYS H 1 38 LYS HE2 6.500 . 6.500 4.879 3.870 5.763 . 0 0 "[ . 1]" 1
413 1 38 LYS H 1 38 LYS HE3 6.500 . 6.500 4.782 3.809 5.427 . 0 0 "[ . 1]" 1
414 1 38 LYS H 1 39 ILE H 6.500 . 6.500 4.415 4.322 4.493 . 0 0 "[ . 1]" 1
415 1 38 LYS H 1 48 LEU QD 6.500 . 6.500 3.587 3.510 3.749 . 0 0 "[ . 1]" 1
416 1 38 LYS H 1 48 LEU HG 6.500 . 6.500 6.591 6.538 6.665 0.165 9 0 "[ . 1]" 1
417 1 38 LYS HA 1 39 ILE H 5.500 . 5.500 2.321 2.199 2.399 . 0 0 "[ . 1]" 1
418 1 38 LYS HB2 1 39 ILE H 6.500 . 6.500 2.825 2.203 3.417 . 0 0 "[ . 1]" 1
419 1 38 LYS HB3 1 39 ILE H 6.500 . 6.500 3.195 2.291 3.924 . 0 0 "[ . 1]" 1
420 1 38 LYS HG2 1 39 ILE H 6.500 . 6.500 4.452 3.576 4.814 . 0 0 "[ . 1]" 1
421 1 38 LYS HG3 1 39 ILE H 6.500 . 6.500 4.406 3.806 4.953 . 0 0 "[ . 1]" 1
422 1 39 ILE H 1 40 LYS H 6.500 . 6.500 4.426 4.395 4.441 . 0 0 "[ . 1]" 1
423 1 39 ILE HA 1 40 LYS H 5.500 . 5.500 2.270 2.217 2.337 . 0 0 "[ . 1]" 1
424 1 39 ILE HA 1 48 LEU HA 6.500 . 6.500 6.536 6.233 6.683 0.183 2 0 "[ . 1]" 1
425 1 39 ILE HA 1 48 LEU QD 6.500 . 6.500 3.314 3.096 3.477 . 0 0 "[ . 1]" 1
426 1 39 ILE HB 1 40 LYS H 6.500 . 6.500 4.024 3.851 4.109 . 0 0 "[ . 1]" 1
427 1 39 ILE HB 1 48 LEU QD 6.500 . 6.500 4.101 3.961 4.273 . 0 0 "[ . 1]" 1
428 1 39 ILE MD 1 40 LYS H 6.500 . 6.500 5.000 4.886 5.083 . 0 0 "[ . 1]" 1
429 1 39 ILE MD 1 43 THR HB 6.500 . 6.500 4.737 3.594 5.336 . 0 0 "[ . 1]" 1
430 1 39 ILE MD 1 44 LYS H 6.500 . 6.500 5.634 5.099 6.215 . 0 0 "[ . 1]" 1
431 1 39 ILE MD 1 48 LEU HA 6.500 . 6.500 5.857 5.611 6.073 . 0 0 "[ . 1]" 1
432 1 39 ILE HG12 1 40 LYS H 6.500 . 6.500 4.446 4.242 4.567 . 0 0 "[ . 1]" 1
433 1 39 ILE HG12 1 48 LEU HA 6.500 . 6.500 5.464 5.285 5.639 . 0 0 "[ . 1]" 1
434 1 39 ILE HG13 1 40 LYS H 6.500 . 6.500 5.111 5.038 5.184 . 0 0 "[ . 1]" 1
435 1 39 ILE HG13 1 48 LEU HA 6.500 . 6.500 6.358 6.050 6.525 0.025 5 0 "[ . 1]" 1
436 1 39 ILE MG 1 40 LYS H 6.500 . 6.500 2.451 2.226 2.505 . 0 0 "[ . 1]" 1
437 1 39 ILE MG 1 48 LEU HA 6.500 . 6.500 6.543 6.484 6.578 0.078 8 0 "[ . 1]" 1
438 1 40 LYS H 1 41 ARG H 6.500 . 6.500 2.605 1.966 2.968 . 0 0 "[ . 1]" 1
439 1 40 LYS H 1 43 THR H 6.500 . 6.500 4.994 4.578 5.239 . 0 0 "[ . 1]" 1
440 1 40 LYS H 1 43 THR HA 6.500 . 6.500 6.524 6.334 6.624 0.124 2 0 "[ . 1]" 1
441 1 40 LYS H 1 43 THR HB 6.500 . 6.500 5.113 4.598 5.539 . 0 0 "[ . 1]" 1
442 1 40 LYS H 1 43 THR MG 6.500 . 6.500 4.326 3.520 4.990 . 0 0 "[ . 1]" 1
443 1 40 LYS HA 1 41 ARG H 6.500 . 6.500 3.525 3.441 3.563 . 0 0 "[ . 1]" 1
444 1 41 ARG H 1 43 THR H 6.500 . 6.500 5.139 4.325 5.460 . 0 0 "[ . 1]" 1
445 1 42 LYS HB2 1 43 THR H 6.500 . 6.500 4.119 3.760 4.466 . 0 0 "[ . 1]" 1
446 1 42 LYS HB2 1 44 LYS H 6.500 . 6.500 5.845 4.996 6.777 0.277 7 0 "[ . 1]" 1
447 1 42 LYS HB3 1 43 THR H 6.500 . 6.500 4.318 3.809 4.428 . 0 0 "[ . 1]" 1
448 1 42 LYS HB3 1 44 LYS H 6.500 . 6.500 6.178 5.671 6.618 0.118 2 0 "[ . 1]" 1
449 1 42 LYS HD2 1 43 THR H 6.500 . 6.500 5.058 3.689 6.156 . 0 0 "[ . 1]" 1
450 1 42 LYS HD3 1 43 THR H 6.500 . 6.500 5.573 3.170 6.540 0.040 2 0 "[ . 1]" 1
451 1 42 LYS HG2 1 43 THR H 6.500 . 6.500 4.890 3.523 5.817 . 0 0 "[ . 1]" 1
452 1 42 LYS HG3 1 43 THR H 6.500 . 6.500 4.624 3.569 5.100 . 0 0 "[ . 1]" 1
453 1 43 THR H 1 44 LYS H 6.500 . 6.500 3.971 3.799 4.277 . 0 0 "[ . 1]" 1
454 1 43 THR HA 1 44 LYS H 5.500 . 5.500 2.104 2.035 2.144 . 0 0 "[ . 1]" 1
455 1 43 THR HB 1 44 LYS H 6.500 . 6.500 3.748 3.577 3.980 . 0 0 "[ . 1]" 1
456 1 43 THR HB 1 47 LYS HA 6.500 . 6.500 6.040 4.772 6.581 0.081 4 0 "[ . 1]" 1
457 1 43 THR HB 1 47 LYS HB2 6.500 . 6.500 4.513 2.717 5.232 . 0 0 "[ . 1]" 1
458 1 43 THR HB 1 47 LYS HB3 6.500 . 6.500 3.887 2.086 4.617 . 0 0 "[ . 1]" 1
459 1 43 THR MG 1 44 LYS H 6.500 . 6.500 3.651 2.602 4.073 . 0 0 "[ . 1]" 1
460 1 43 THR MG 1 47 LYS HB2 6.500 . 6.500 4.213 2.553 5.164 . 0 0 "[ . 1]" 1
461 1 43 THR MG 1 47 LYS HB3 6.500 . 6.500 3.838 2.401 4.827 . 0 0 "[ . 1]" 1
462 1 44 LYS H 1 44 LYS HD2 6.500 . 6.500 3.985 2.781 4.622 . 0 0 "[ . 1]" 1
463 1 44 LYS H 1 44 LYS HD3 6.500 . 6.500 3.910 1.604 4.736 . 0 0 "[ . 1]" 1
464 1 44 LYS H 1 44 LYS HE2 6.500 . 6.500 4.694 3.963 5.682 . 0 0 "[ . 1]" 1
465 1 44 LYS H 1 44 LYS HE3 6.500 . 6.500 4.466 3.442 5.493 . 0 0 "[ . 1]" 1
466 1 44 LYS H 1 45 LEU H 6.500 . 6.500 4.571 4.493 4.630 . 0 0 "[ . 1]" 1
467 1 44 LYS H 1 46 GLU H 6.500 . 6.500 4.916 4.529 5.420 . 0 0 "[ . 1]" 1
468 1 44 LYS H 1 47 LYS H 6.500 . 6.500 5.059 4.349 5.601 . 0 0 "[ . 1]" 1
469 1 44 LYS H 1 75 ASP HA 6.500 . 6.500 5.724 5.058 6.229 . 0 0 "[ . 1]" 1
470 1 44 LYS H 1 77 THR HB 6.500 . 6.500 6.232 5.181 6.626 0.126 3 0 "[ . 1]" 1
471 1 44 LYS H 1 77 THR MG 6.500 . 6.500 3.967 3.318 4.426 . 0 0 "[ . 1]" 1
472 1 44 LYS HA 1 45 LEU H 5.500 . 5.500 2.445 2.162 2.686 . 0 0 "[ . 1]" 1
473 1 44 LYS HA 1 48 LEU HG 6.500 . 6.500 5.787 4.887 6.565 0.065 8 0 "[ . 1]" 1
474 1 44 LYS HA 1 77 THR H 6.500 . 6.500 4.672 3.852 5.369 . 0 0 "[ . 1]" 1
475 1 44 LYS HA 1 77 THR HA 6.500 . 6.500 3.637 2.620 4.603 . 0 0 "[ . 1]" 1
476 1 44 LYS HA 1 77 THR HB 6.500 . 6.500 4.242 3.467 4.852 . 0 0 "[ . 1]" 1
477 1 44 LYS HA 1 77 THR MG 6.500 . 6.500 2.354 1.626 3.093 . 0 0 "[ . 1]" 1
478 1 44 LYS HB2 1 45 LEU H 6.500 . 6.500 2.621 1.789 3.991 . 0 0 "[ . 1]" 1
479 1 44 LYS HB2 1 46 GLU H 6.500 . 6.500 2.908 2.363 3.536 . 0 0 "[ . 1]" 1
480 1 44 LYS HB3 1 45 LEU H 6.500 . 6.500 3.214 2.322 3.730 . 0 0 "[ . 1]" 1
481 1 44 LYS HB3 1 46 GLU H 6.500 . 6.500 3.917 2.074 4.768 . 0 0 "[ . 1]" 1
482 1 44 LYS HD2 1 45 LEU H 6.500 . 6.500 5.359 4.288 6.550 0.050 8 0 "[ . 1]" 1
483 1 44 LYS HD3 1 45 LEU H 6.500 . 6.500 5.126 4.302 6.051 . 0 0 "[ . 1]" 1
484 1 44 LYS HE2 1 46 GLU H 6.500 . 6.500 6.037 4.682 6.590 0.090 6 0 "[ . 1]" 1
485 1 44 LYS HE3 1 46 GLU H 6.500 . 6.500 5.557 4.068 6.614 0.114 10 0 "[ . 1]" 1
486 1 44 LYS QG 1 45 LEU H 6.500 . 6.500 3.744 3.348 4.088 . 0 0 "[ . 1]" 1
487 1 44 LYS QG 1 46 GLU H 6.500 . 6.500 3.273 2.427 4.936 . 0 0 "[ . 1]" 1
488 1 45 LEU H 1 46 GLU H 5.500 . 5.500 2.670 2.537 2.792 . 0 0 "[ . 1]" 1
489 1 45 LEU H 1 47 LYS H 6.500 . 6.500 4.797 4.472 5.164 . 0 0 "[ . 1]" 1
490 1 45 LEU H 1 48 LEU H 6.500 . 6.500 5.358 5.120 5.645 . 0 0 "[ . 1]" 1
491 1 45 LEU H 1 74 GLY QA 6.500 . 6.500 3.284 2.878 3.655 . 0 0 "[ . 1]" 1
492 1 45 LEU H 1 75 ASP HA 6.500 . 6.500 4.284 3.695 4.610 . 0 0 "[ . 1]" 1
493 1 45 LEU H 1 75 ASP QB 6.500 . 6.500 5.844 5.483 6.084 . 0 0 "[ . 1]" 1
494 1 45 LEU H 1 76 ASN H 6.500 . 6.500 5.056 4.664 5.597 . 0 0 "[ . 1]" 1
495 1 45 LEU H 1 77 THR H 6.500 . 6.500 3.681 3.196 4.302 . 0 0 "[ . 1]" 1
496 1 45 LEU H 1 77 THR HA 6.500 . 6.500 3.273 2.854 3.910 . 0 0 "[ . 1]" 1
497 1 45 LEU H 1 77 THR HB 6.500 . 6.500 5.070 4.700 5.514 . 0 0 "[ . 1]" 1
498 1 45 LEU H 1 77 THR MG 6.500 . 6.500 3.304 2.630 3.900 . 0 0 "[ . 1]" 1
499 1 45 LEU HA 1 47 LYS H 6.500 . 6.500 4.156 3.734 4.611 . 0 0 "[ . 1]" 1
500 1 45 LEU HA 1 48 LEU H 6.500 . 6.500 3.339 3.108 3.582 . 0 0 "[ . 1]" 1
501 1 45 LEU HA 1 49 MET H 6.500 . 6.500 4.651 4.140 5.576 . 0 0 "[ . 1]" 1
502 1 45 LEU QB 1 46 GLU H 5.500 . 5.500 3.065 2.878 3.220 . 0 0 "[ . 1]" 1
503 1 45 LEU QB 1 47 LYS H 6.500 . 6.500 4.950 4.630 5.268 . 0 0 "[ . 1]" 1
504 1 45 LEU QB 1 48 LEU HA 6.500 . 6.500 6.203 6.013 6.475 . 0 0 "[ . 1]" 1
505 1 45 LEU QB 1 49 MET H 6.500 . 6.500 4.634 4.338 5.254 . 0 0 "[ . 1]" 1
506 1 45 LEU QB 1 74 GLY H 6.500 . 6.500 4.195 3.810 4.499 . 0 0 "[ . 1]" 1
507 1 45 LEU QB 1 74 GLY QA 5.500 . 5.500 1.723 1.448 2.015 . 0 0 "[ . 1]" 1
508 1 45 LEU QB 1 75 ASP H 6.500 . 6.500 4.684 4.564 4.772 . 0 0 "[ . 1]" 1
509 1 45 LEU QB 1 76 ASN H 6.500 . 6.500 4.743 4.256 5.322 . 0 0 "[ . 1]" 1
510 1 45 LEU QB 1 77 THR H 6.500 . 6.500 4.113 3.804 4.369 . 0 0 "[ . 1]" 1
511 1 45 LEU HB2 1 46 GLU H 6.500 . 6.500 3.168 2.951 3.337 . 0 0 "[ . 1]" 1
512 1 45 LEU HB2 1 77 THR H 6.500 . 6.500 4.240 3.904 4.540 . 0 0 "[ . 1]" 1
513 1 45 LEU HB3 1 46 GLU H 6.500 . 6.500 4.081 3.944 4.237 . 0 0 "[ . 1]" 1
514 1 45 LEU HB3 1 77 THR H 6.500 . 6.500 5.559 4.975 5.958 . 0 0 "[ . 1]" 1
515 1 45 LEU QD 1 47 LYS H 6.500 . 6.500 5.418 5.047 5.772 . 0 0 "[ . 1]" 1
516 1 45 LEU QD 1 48 LEU H 6.500 . 6.500 4.688 4.396 4.889 . 0 0 "[ . 1]" 1
517 1 45 LEU QD 1 49 MET H 6.500 . 6.500 5.301 5.084 5.844 . 0 0 "[ . 1]" 1
518 1 45 LEU QD 1 77 THR H 6.500 . 6.500 2.941 2.086 3.704 . 0 0 "[ . 1]" 1
519 1 45 LEU MD1 1 46 GLU H 6.500 . 6.500 4.869 4.755 4.972 . 0 0 "[ . 1]" 1
520 1 45 LEU MD1 1 77 THR HA 6.500 . 6.500 3.057 2.218 4.059 . 0 0 "[ . 1]" 1
521 1 45 LEU MD2 1 46 GLU H 6.500 . 6.500 4.745 4.620 4.871 . 0 0 "[ . 1]" 1
522 1 45 LEU MD2 1 77 THR HA 6.500 . 6.500 3.374 2.461 3.734 . 0 0 "[ . 1]" 1
523 1 45 LEU HG 1 46 GLU H 6.500 . 6.500 4.466 4.301 4.572 . 0 0 "[ . 1]" 1
524 1 46 GLU H 1 46 GLU HG3 5.500 . 5.500 2.341 1.927 3.381 . 0 0 "[ . 1]" 1
525 1 46 GLU H 1 47 LYS H 6.500 . 6.500 2.815 2.653 2.977 . 0 0 "[ . 1]" 1
526 1 46 GLU H 1 48 LEU H 6.500 . 6.500 4.120 3.916 4.356 . 0 0 "[ . 1]" 1
527 1 46 GLU H 1 49 MET H 6.500 . 6.500 5.049 4.687 5.609 . 0 0 "[ . 1]" 1
528 1 46 GLU H 1 74 GLY H 6.500 . 6.500 5.178 4.743 5.607 . 0 0 "[ . 1]" 1
529 1 46 GLU H 1 74 GLY HA2 6.500 . 6.500 4.015 3.653 4.507 . 0 0 "[ . 1]" 1
530 1 46 GLU H 1 74 GLY QA 5.500 . 5.500 2.953 2.626 3.196 . 0 0 "[ . 1]" 1
531 1 46 GLU H 1 74 GLY HA3 6.500 . 6.500 3.051 2.689 3.349 . 0 0 "[ . 1]" 1
532 1 46 GLU H 1 75 ASP HA 6.500 . 6.500 4.677 4.074 5.346 . 0 0 "[ . 1]" 1
533 1 46 GLU H 1 75 ASP QB 6.500 . 6.500 5.695 5.304 6.236 . 0 0 "[ . 1]" 1
534 1 46 GLU HA 1 49 MET H 6.500 . 6.500 3.676 3.257 3.970 . 0 0 "[ . 1]" 1
535 1 46 GLU HA 1 49 MET HA 6.500 . 6.500 5.990 4.959 6.566 0.066 3 0 "[ . 1]" 1
536 1 46 GLU HA 1 50 GLU H 6.500 . 6.500 4.246 3.980 4.569 . 0 0 "[ . 1]" 1
537 1 46 GLU HA 1 74 GLY QA 5.000 . 5.000 3.250 2.798 3.863 . 0 0 "[ . 1]" 1
538 1 46 GLU QB 1 74 GLY QA 5.500 . 5.500 3.959 3.802 4.192 . 0 0 "[ . 1]" 1
539 1 46 GLU HB2 1 74 GLY H 6.500 . 6.500 6.111 5.132 6.600 0.100 1 0 "[ . 1]" 1
540 1 46 GLU HB2 1 74 GLY HA2 6.500 . 6.500 5.991 5.637 6.317 . 0 0 "[ . 1]" 1
541 1 46 GLU HB2 1 74 GLY HA3 6.500 . 6.500 4.543 4.387 4.767 . 0 0 "[ . 1]" 1
542 1 46 GLU HB3 1 74 GLY H 6.500 . 6.500 5.727 4.627 6.378 . 0 0 "[ . 1]" 1
543 1 46 GLU HB3 1 74 GLY HA2 6.500 . 6.500 6.224 5.778 6.591 0.091 5 0 "[ . 1]" 1
544 1 46 GLU HB3 1 74 GLY HA3 6.500 . 6.500 4.609 4.354 5.037 . 0 0 "[ . 1]" 1
545 1 46 GLU QG 1 74 GLY QA 5.000 . 5.000 2.287 1.944 2.756 . 0 0 "[ . 1]" 1
546 1 46 GLU HG2 1 74 GLY H 5.500 . 5.500 3.509 2.197 4.701 . 0 0 "[ . 1]" 1
547 1 46 GLU HG2 1 74 GLY HA2 6.500 . 6.500 4.273 3.775 5.701 . 0 0 "[ . 1]" 1
548 1 46 GLU HG2 1 74 GLY HA3 6.500 . 6.500 2.624 2.102 3.972 . 0 0 "[ . 1]" 1
549 1 46 GLU HG3 1 74 GLY H 6.500 . 6.500 4.153 3.272 5.345 . 0 0 "[ . 1]" 1
550 1 46 GLU HG3 1 74 GLY HA2 6.500 . 6.500 4.188 3.614 5.757 . 0 0 "[ . 1]" 1
551 1 46 GLU HG3 1 74 GLY HA3 6.500 . 6.500 2.771 2.229 4.197 . 0 0 "[ . 1]" 1
552 1 47 LYS H 1 47 LYS HD2 6.500 . 6.500 4.403 3.991 4.908 . 0 0 "[ . 1]" 1
553 1 47 LYS H 1 47 LYS HD3 6.500 . 6.500 4.846 4.352 5.079 . 0 0 "[ . 1]" 1
554 1 47 LYS H 1 47 LYS HE2 6.500 . 6.500 5.506 5.179 6.554 0.054 9 0 "[ . 1]" 1
555 1 47 LYS H 1 47 LYS HE3 6.500 . 6.500 5.173 4.692 6.536 0.036 9 0 "[ . 1]" 1
556 1 47 LYS H 1 47 LYS HG2 5.500 . 5.500 3.517 3.278 4.525 . 0 0 "[ . 1]" 1
557 1 47 LYS H 1 47 LYS HG3 5.500 . 5.500 2.600 2.159 4.229 . 0 0 "[ . 1]" 1
558 1 47 LYS H 1 48 LEU H 5.500 . 5.500 2.504 2.351 2.597 . 0 0 "[ . 1]" 1
559 1 47 LYS H 1 49 MET H 6.500 . 6.500 4.129 3.605 4.469 . 0 0 "[ . 1]" 1
560 1 47 LYS HA 1 49 MET H 6.500 . 6.500 4.047 3.723 4.247 . 0 0 "[ . 1]" 1
561 1 47 LYS HA 1 50 GLU H 5.500 . 5.500 3.114 2.834 3.639 . 0 0 "[ . 1]" 1
562 1 47 LYS HA 1 51 VAL H 5.500 . 5.500 3.605 3.290 4.251 . 0 0 "[ . 1]" 1
563 1 47 LYS HB2 1 48 LEU H 6.500 . 6.500 4.041 3.849 4.150 . 0 0 "[ . 1]" 1
564 1 47 LYS HB2 1 49 MET H 6.500 . 6.500 5.610 5.269 5.775 . 0 0 "[ . 1]" 1
565 1 47 LYS HB2 1 50 GLU H 6.500 . 6.500 5.151 4.949 5.818 . 0 0 "[ . 1]" 1
566 1 47 LYS HB2 1 51 VAL H 6.500 . 6.500 4.671 4.278 6.273 . 0 0 "[ . 1]" 1
567 1 47 LYS HB3 1 48 LEU H 6.500 . 6.500 3.823 2.457 4.138 . 0 0 "[ . 1]" 1
568 1 47 LYS HB3 1 49 MET H 6.500 . 6.500 5.641 4.762 5.991 . 0 0 "[ . 1]" 1
569 1 47 LYS HB3 1 50 GLU H 6.500 . 6.500 5.464 5.240 5.655 . 0 0 "[ . 1]" 1
570 1 47 LYS HB3 1 51 VAL H 6.500 . 6.500 5.694 5.456 6.181 . 0 0 "[ . 1]" 1
571 1 47 LYS HD2 1 48 LEU H 6.500 . 6.500 3.314 2.708 4.491 . 0 0 "[ . 1]" 1
572 1 47 LYS HD2 1 49 MET H 6.500 . 6.500 5.117 4.578 6.113 . 0 0 "[ . 1]" 1
573 1 47 LYS HD2 1 50 GLU H 6.500 . 6.500 5.456 4.942 6.615 0.115 8 0 "[ . 1]" 1
574 1 47 LYS HD2 1 51 VAL H 6.500 . 6.500 4.643 4.025 6.048 . 0 0 "[ . 1]" 1
575 1 47 LYS HD3 1 48 LEU H 6.500 . 6.500 4.456 3.362 5.186 . 0 0 "[ . 1]" 1
576 1 47 LYS HD3 1 49 MET H 6.500 . 6.500 6.328 5.171 6.557 0.057 9 0 "[ . 1]" 1
577 1 47 LYS HD3 1 50 GLU H 6.500 . 6.500 6.317 5.197 6.543 0.043 3 0 "[ . 1]" 1
578 1 47 LYS HD3 1 51 VAL H 6.500 . 6.500 5.338 4.333 5.639 . 0 0 "[ . 1]" 1
579 1 47 LYS HG2 1 51 VAL H 6.500 . 6.500 6.593 6.503 6.711 0.211 4 0 "[ . 1]" 1
580 1 47 LYS HG3 1 51 VAL H 6.500 . 6.500 5.711 5.008 5.927 . 0 0 "[ . 1]" 1
581 1 48 LEU H 1 49 MET H 5.500 . 5.500 2.639 2.500 2.774 . 0 0 "[ . 1]" 1
582 1 48 LEU H 1 50 GLU H 6.500 . 6.500 4.023 3.842 4.280 . 0 0 "[ . 1]" 1
583 1 48 LEU H 1 51 VAL H 6.500 . 6.500 4.863 4.812 5.029 . 0 0 "[ . 1]" 1
584 1 48 LEU HA 1 50 GLU H 6.500 . 6.500 4.611 4.481 4.791 . 0 0 "[ . 1]" 1
585 1 48 LEU HA 1 51 VAL H 6.500 . 6.500 4.116 3.881 4.371 . 0 0 "[ . 1]" 1
586 1 48 LEU HA 1 51 VAL HA 6.500 . 6.500 6.237 5.856 6.522 0.022 2 0 "[ . 1]" 1
587 1 48 LEU HA 1 51 VAL HB 6.500 . 6.500 3.666 3.313 3.899 . 0 0 "[ . 1]" 1
588 1 48 LEU HA 1 51 VAL QG 6.500 . 6.500 3.502 2.997 3.881 . 0 0 "[ . 1]" 1
589 1 48 LEU HA 1 52 TYR H 6.500 . 6.500 4.989 4.666 5.253 . 0 0 "[ . 1]" 1
590 1 48 LEU HA 1 52 TYR QB 6.500 . 6.500 5.610 4.779 6.197 . 0 0 "[ . 1]" 1
591 1 48 LEU HB2 1 49 MET H 6.500 . 6.500 2.770 2.644 2.908 . 0 0 "[ . 1]" 1
592 1 48 LEU HB2 1 50 GLU H 6.500 . 6.500 5.006 4.829 5.285 . 0 0 "[ . 1]" 1
593 1 48 LEU HB3 1 49 MET H 6.500 . 6.500 3.721 3.646 3.997 . 0 0 "[ . 1]" 1
594 1 48 LEU HB3 1 50 GLU H 6.500 . 6.500 5.706 5.527 5.924 . 0 0 "[ . 1]" 1
595 1 48 LEU HB3 1 52 TYR H 6.500 . 6.500 6.209 5.955 6.500 . 0 0 "[ . 1]" 1
596 1 48 LEU QD 1 50 GLU H 6.500 . 6.500 5.496 5.383 5.707 . 0 0 "[ . 1]" 1
597 1 48 LEU QD 1 51 VAL H 6.500 . 6.500 5.380 5.281 5.608 . 0 0 "[ . 1]" 1
598 1 48 LEU QD 1 52 TYR H 6.500 . 6.500 5.961 5.665 6.191 . 0 0 "[ . 1]" 1
599 1 48 LEU MD1 1 49 MET H 6.500 . 6.500 4.559 4.402 4.635 . 0 0 "[ . 1]" 1
600 1 48 LEU MD2 1 49 MET H 6.500 . 6.500 4.743 4.653 4.851 . 0 0 "[ . 1]" 1
601 1 48 LEU MD2 1 52 TYR H 6.500 . 6.500 6.244 5.903 6.506 0.006 6 0 "[ . 1]" 1
602 1 48 LEU HG 1 49 MET H 6.500 . 6.500 4.439 4.192 4.575 . 0 0 "[ . 1]" 1
603 1 48 LEU HG 1 50 GLU H 6.500 . 6.500 6.135 5.932 6.474 . 0 0 "[ . 1]" 1
604 1 49 MET H 1 50 GLU H 5.500 . 5.500 2.354 2.220 2.555 . 0 0 "[ . 1]" 1
605 1 49 MET H 1 51 VAL H 6.500 . 6.500 4.057 3.926 4.182 . 0 0 "[ . 1]" 1
606 1 49 MET H 1 52 TYR H 6.500 . 6.500 4.914 4.560 5.146 . 0 0 "[ . 1]" 1
607 1 49 MET HA 1 50 GLU H 6.500 . 6.500 3.528 3.485 3.578 . 0 0 "[ . 1]" 1
608 1 49 MET HA 1 51 VAL H 6.500 . 6.500 4.421 4.247 4.660 . 0 0 "[ . 1]" 1
609 1 49 MET HA 1 52 TYR H 6.500 . 6.500 3.501 3.306 3.994 . 0 0 "[ . 1]" 1
610 1 49 MET HA 1 52 TYR QB 6.500 . 6.500 2.871 2.218 3.539 . 0 0 "[ . 1]" 1
611 1 49 MET QB 1 50 GLU H 6.500 . 6.500 3.454 2.360 3.725 . 0 0 "[ . 1]" 1
612 1 49 MET HB2 1 50 GLU H 6.500 . 6.500 3.954 3.757 4.205 . 0 0 "[ . 1]" 1
613 1 49 MET HB3 1 50 GLU H 6.500 . 6.500 3.889 2.385 4.159 . 0 0 "[ . 1]" 1
614 1 49 MET HG2 1 50 GLU H 6.500 . 6.500 2.637 2.109 3.624 . 0 0 "[ . 1]" 1
615 1 49 MET HG2 1 51 VAL H 6.500 . 6.500 5.098 4.695 5.643 . 0 0 "[ . 1]" 1
616 1 49 MET HG2 1 52 TYR H 6.500 . 6.500 5.744 5.132 6.057 . 0 0 "[ . 1]" 1
617 1 49 MET HG3 1 50 GLU H 6.500 . 6.500 3.166 2.591 4.634 . 0 0 "[ . 1]" 1
618 1 49 MET HG3 1 51 VAL H 6.500 . 6.500 5.531 5.033 6.573 0.073 8 0 "[ . 1]" 1
619 1 49 MET HG3 1 52 TYR H 6.500 . 6.500 5.785 5.397 6.549 0.049 3 0 "[ . 1]" 1
620 1 50 GLU H 1 51 VAL H 6.500 . 6.500 2.627 2.536 2.692 . 0 0 "[ . 1]" 1
621 1 50 GLU H 1 52 TYR H 6.500 . 6.500 4.006 3.709 4.304 . 0 0 "[ . 1]" 1
622 1 50 GLU H 1 53 CYS H 6.500 . 6.500 4.539 4.374 4.961 . 0 0 "[ . 1]" 1
623 1 50 GLU HA 1 51 VAL H 6.500 . 6.500 3.544 3.505 3.563 . 0 0 "[ . 1]" 1
624 1 50 GLU HA 1 52 TYR H 6.500 . 6.500 3.971 3.816 4.095 . 0 0 "[ . 1]" 1
625 1 50 GLU HA 1 53 CYS H 5.500 . 5.500 2.866 2.784 3.039 . 0 0 "[ . 1]" 1
626 1 50 GLU HA 1 53 CYS HA 6.500 . 6.500 4.633 4.531 4.893 . 0 0 "[ . 1]" 1
627 1 50 GLU HA 1 53 CYS HB2 5.500 . 5.500 2.501 2.122 3.073 . 0 0 "[ . 1]" 1
628 1 50 GLU HA 1 53 CYS QB 5.000 . 5.000 2.465 2.106 3.000 . 0 0 "[ . 1]" 1
629 1 50 GLU HA 1 53 CYS HB3 5.500 . 5.500 3.788 3.558 4.189 . 0 0 "[ . 1]" 1
630 1 50 GLU HA 1 54 ASN H 6.500 . 6.500 4.134 3.778 4.755 . 0 0 "[ . 1]" 1
631 1 50 GLU QB 1 52 TYR H 6.500 . 6.500 4.611 4.412 4.750 . 0 0 "[ . 1]" 1
632 1 50 GLU QB 1 53 CYS QB 6.500 . 6.500 3.565 3.415 3.702 . 0 0 "[ . 1]" 1
633 1 50 GLU HB2 1 53 CYS H 6.500 . 6.500 5.283 5.182 5.398 . 0 0 "[ . 1]" 1
634 1 50 GLU HB2 1 53 CYS HB2 6.500 . 6.500 4.952 4.771 5.162 . 0 0 "[ . 1]" 1
635 1 50 GLU HB2 1 53 CYS HB3 6.500 . 6.500 6.468 6.352 6.590 0.090 2 0 "[ . 1]" 1
636 1 50 GLU HB2 1 54 ASN H 6.500 . 6.500 5.871 5.486 6.239 . 0 0 "[ . 1]" 1
637 1 50 GLU HB3 1 53 CYS H 6.500 . 6.500 4.851 4.763 5.020 . 0 0 "[ . 1]" 1
638 1 50 GLU HB3 1 53 CYS HA 6.500 . 6.500 6.593 6.535 6.684 0.184 3 0 "[ . 1]" 1
639 1 50 GLU HB3 1 53 CYS HB2 6.500 . 6.500 3.756 3.586 3.921 . 0 0 "[ . 1]" 1
640 1 50 GLU HB3 1 53 CYS HB3 6.500 . 6.500 5.224 5.063 5.393 . 0 0 "[ . 1]" 1
641 1 50 GLU HB3 1 54 ASN H 6.500 . 6.500 4.827 4.397 5.393 . 0 0 "[ . 1]" 1
642 1 50 GLU HG2 1 51 VAL H 6.500 . 6.500 4.941 4.493 5.114 . 0 0 "[ . 1]" 1
643 1 50 GLU HG3 1 51 VAL H 6.500 . 6.500 4.797 4.405 5.296 . 0 0 "[ . 1]" 1
644 1 51 VAL H 1 52 TYR H 5.500 . 5.500 2.670 2.536 2.821 . 0 0 "[ . 1]" 1
645 1 51 VAL H 1 53 CYS H 6.500 . 6.500 4.090 3.884 4.236 . 0 0 "[ . 1]" 1
646 1 51 VAL H 1 54 ASN H 6.500 . 6.500 4.947 4.637 5.211 . 0 0 "[ . 1]" 1
647 1 51 VAL HA 1 53 CYS H 6.500 . 6.500 4.456 4.257 4.676 . 0 0 "[ . 1]" 1
648 1 51 VAL HA 1 54 ASN H 6.500 . 6.500 3.614 3.428 3.785 . 0 0 "[ . 1]" 1
649 1 51 VAL HA 1 54 ASN HB2 6.500 . 6.500 4.014 3.221 4.366 . 0 0 "[ . 1]" 1
650 1 51 VAL HA 1 54 ASN HB3 6.500 . 6.500 3.297 2.767 3.631 . 0 0 "[ . 1]" 1
651 1 51 VAL HA 1 55 ARG H 6.500 . 6.500 4.432 4.034 4.791 . 0 0 "[ . 1]" 1
652 1 51 VAL HB 1 52 TYR H 6.500 . 6.500 2.816 2.711 2.976 . 0 0 "[ . 1]" 1
653 1 51 VAL MG1 1 52 TYR H 6.500 . 6.500 3.513 3.373 3.712 . 0 0 "[ . 1]" 1
654 1 51 VAL MG1 1 53 CYS H 6.500 . 6.500 5.116 4.928 5.309 . 0 0 "[ . 1]" 1
655 1 51 VAL MG1 1 54 ASN H 6.500 . 6.500 4.769 4.466 5.026 . 0 0 "[ . 1]" 1
656 1 51 VAL MG1 1 55 ARG H 6.500 . 6.500 4.261 3.904 4.634 . 0 0 "[ . 1]" 1
657 1 51 VAL MG2 1 52 TYR H 6.500 . 6.500 3.938 3.852 4.028 . 0 0 "[ . 1]" 1
658 1 51 VAL MG2 1 53 CYS H 6.500 . 6.500 5.424 5.245 5.553 . 0 0 "[ . 1]" 1
659 1 51 VAL MG2 1 54 ASN H 6.500 . 6.500 5.336 5.159 5.474 . 0 0 "[ . 1]" 1
660 1 52 TYR H 1 53 CYS H 5.000 . 5.000 2.518 2.382 2.600 . 0 0 "[ . 1]" 1
661 1 52 TYR H 1 54 ASN H 6.500 . 6.500 4.151 3.954 4.278 . 0 0 "[ . 1]" 1
662 1 52 TYR HA 1 53 CYS H 5.500 . 5.500 3.550 3.505 3.583 . 0 0 "[ . 1]" 1
663 1 52 TYR HA 1 54 ASN H 6.500 . 6.500 4.229 3.872 4.583 . 0 0 "[ . 1]" 1
664 1 52 TYR HA 1 55 ARG H 6.500 . 6.500 2.999 2.737 3.251 . 0 0 "[ . 1]" 1
665 1 52 TYR HA 1 56 LEU H 6.500 . 6.500 3.815 3.281 4.382 . 0 0 "[ . 1]" 1
666 1 52 TYR QB 1 53 CYS H 5.500 . 5.500 2.760 2.414 2.996 . 0 0 "[ . 1]" 1
667 1 52 TYR QB 1 54 ASN H 6.500 . 6.500 4.841 4.624 5.067 . 0 0 "[ . 1]" 1
668 1 52 TYR QB 1 55 ARG H 6.500 . 6.500 4.611 4.512 4.801 . 0 0 "[ . 1]" 1
669 1 52 TYR QB 1 55 ARG HA 6.500 . 6.500 6.490 6.218 6.676 0.176 10 0 "[ . 1]" 1
670 1 52 TYR QB 1 56 LEU H 6.500 . 6.500 4.576 3.975 5.528 . 0 0 "[ . 1]" 1
671 1 52 TYR HB2 1 54 ASN H 6.500 . 6.500 5.509 5.066 6.133 . 0 0 "[ . 1]" 1
672 1 52 TYR HB3 1 54 ASN H 6.500 . 6.500 5.411 5.062 5.733 . 0 0 "[ . 1]" 1
673 1 53 CYS H 1 54 ASN H 5.500 . 5.500 2.863 2.730 2.932 . 0 0 "[ . 1]" 1
674 1 53 CYS H 1 55 ARG H 6.500 . 6.500 4.049 3.871 4.404 . 0 0 "[ . 1]" 1
675 1 53 CYS H 1 56 LEU H 6.500 . 6.500 4.902 4.708 5.250 . 0 0 "[ . 1]" 1
676 1 53 CYS H 1 59 SER HB2 6.500 . 6.500 6.564 6.531 6.600 0.100 6 0 "[ . 1]" 1
677 1 53 CYS H 1 59 SER QB 6.500 . 6.500 5.815 5.751 5.848 . 0 0 "[ . 1]" 1
678 1 53 CYS H 1 59 SER HB3 6.500 . 6.500 6.493 6.371 6.561 0.061 9 0 "[ . 1]" 1
679 1 53 CYS H 1 60 MET HA 6.500 . 6.500 5.788 5.604 6.018 . 0 0 "[ . 1]" 1
680 1 53 CYS H 1 60 MET HB2 6.500 . 6.500 6.587 6.531 6.643 0.143 3 0 "[ . 1]" 1
681 1 53 CYS H 1 60 MET HB3 6.500 . 6.500 4.927 4.838 4.994 . 0 0 "[ . 1]" 1
682 1 53 CYS H 1 60 MET HG2 6.500 . 6.500 6.514 6.218 6.573 0.073 6 0 "[ . 1]" 1
683 1 53 CYS H 1 60 MET HG3 6.500 . 6.500 6.360 6.034 6.524 0.024 8 0 "[ . 1]" 1
684 1 53 CYS HA 1 55 ARG H 6.500 . 6.500 4.372 4.043 4.807 . 0 0 "[ . 1]" 1
685 1 53 CYS HA 1 56 LEU H 6.500 . 6.500 3.914 3.397 4.318 . 0 0 "[ . 1]" 1
686 1 53 CYS HA 1 56 LEU QB 6.500 . 6.500 4.153 3.218 5.679 . 0 0 "[ . 1]" 1
687 1 53 CYS HA 1 56 LEU MD1 6.500 . 6.500 3.737 2.880 4.962 . 0 0 "[ . 1]" 1
688 1 53 CYS HA 1 56 LEU MD2 6.500 . 6.500 4.918 2.219 6.321 . 0 0 "[ . 1]" 1
689 1 53 CYS HA 1 57 GLY H 6.500 . 6.500 4.356 3.876 4.685 . 0 0 "[ . 1]" 1
690 1 53 CYS HA 1 63 VAL MG1 6.500 . 6.500 5.109 4.128 6.173 . 0 0 "[ . 1]" 1
691 1 53 CYS HA 1 63 VAL QG 6.500 . 6.500 3.759 3.188 4.499 . 0 0 "[ . 1]" 1
692 1 53 CYS HA 1 63 VAL MG2 6.500 . 6.500 3.937 3.224 4.741 . 0 0 "[ . 1]" 1
693 1 53 CYS QB 1 54 ASN H 5.500 . 5.500 2.384 2.203 2.583 . 0 0 "[ . 1]" 1
694 1 53 CYS QB 1 55 ARG H 6.500 . 6.500 4.485 4.207 4.814 . 0 0 "[ . 1]" 1
695 1 53 CYS QB 1 56 LEU H 6.500 . 6.500 5.167 4.936 5.560 . 0 0 "[ . 1]" 1
696 1 53 CYS QB 1 57 GLY H 6.500 . 6.500 5.110 4.756 5.481 . 0 0 "[ . 1]" 1
697 1 53 CYS QB 1 58 GLN H 6.500 . 6.500 4.407 3.891 4.806 . 0 0 "[ . 1]" 1
698 1 53 CYS QB 1 60 MET H 6.500 . 6.500 3.248 2.919 3.575 . 0 0 "[ . 1]" 1
699 1 53 CYS HB2 1 60 MET H 6.500 . 6.500 4.293 3.543 4.740 . 0 0 "[ . 1]" 1
700 1 53 CYS HB3 1 60 MET H 6.500 . 6.500 3.366 3.084 3.709 . 0 0 "[ . 1]" 1
701 1 54 ASN H 1 55 ARG H 5.500 . 5.500 2.548 2.412 2.766 . 0 0 "[ . 1]" 1
702 1 54 ASN H 1 56 LEU H 6.500 . 6.500 4.330 4.115 4.635 . 0 0 "[ . 1]" 1
703 1 54 ASN H 1 57 GLY H 6.500 . 6.500 4.757 4.576 4.921 . 0 0 "[ . 1]" 1
704 1 54 ASN HA 1 56 LEU H 6.500 . 6.500 4.533 4.289 4.827 . 0 0 "[ . 1]" 1
705 1 54 ASN HA 1 57 GLY H 6.500 . 6.500 3.551 3.297 4.022 . 0 0 "[ . 1]" 1
706 1 54 ASN HA 1 58 GLN H 6.500 . 6.500 4.599 3.916 5.209 . 0 0 "[ . 1]" 1
707 1 54 ASN QB 1 55 ARG H 5.500 . 5.500 2.763 2.273 3.048 . 0 0 "[ . 1]" 1
708 1 54 ASN QB 1 56 LEU H 6.500 . 6.500 4.947 4.647 5.175 . 0 0 "[ . 1]" 1
709 1 54 ASN QB 1 57 GLY H 6.500 . 6.500 5.013 4.876 5.212 . 0 0 "[ . 1]" 1
710 1 54 ASN QB 1 58 GLN H 6.500 . 6.500 6.096 5.637 6.350 . 0 0 "[ . 1]" 1
711 1 54 ASN HB2 1 55 ARG H 6.500 . 6.500 3.967 3.674 4.128 . 0 0 "[ . 1]" 1
712 1 54 ASN HB2 1 56 LEU H 6.500 . 6.500 6.034 5.876 6.251 . 0 0 "[ . 1]" 1
713 1 54 ASN HB2 1 57 GLY H 6.500 . 6.500 5.773 5.593 6.016 . 0 0 "[ . 1]" 1
714 1 54 ASN HB3 1 55 ARG H 6.500 . 6.500 2.823 2.295 3.139 . 0 0 "[ . 1]" 1
715 1 54 ASN HB3 1 56 LEU H 6.500 . 6.500 5.258 4.864 5.550 . 0 0 "[ . 1]" 1
716 1 54 ASN HB3 1 57 GLY H 6.500 . 6.500 5.507 5.368 5.763 . 0 0 "[ . 1]" 1
717 1 55 ARG H 1 55 ARG HD2 6.500 . 6.500 4.770 3.188 5.735 . 0 0 "[ . 1]" 1
718 1 55 ARG H 1 55 ARG HD3 6.500 . 6.500 4.664 2.801 5.867 . 0 0 "[ . 1]" 1
719 1 55 ARG H 1 56 LEU H 5.500 . 5.500 2.637 2.401 2.826 . 0 0 "[ . 1]" 1
720 1 55 ARG H 1 57 GLY H 6.500 . 6.500 3.797 3.666 3.944 . 0 0 "[ . 1]" 1
721 1 55 ARG HG2 1 56 LEU H 6.500 . 6.500 4.456 3.786 5.011 . 0 0 "[ . 1]" 1
722 1 55 ARG HG3 1 56 LEU H 6.500 . 6.500 4.739 4.002 5.083 . 0 0 "[ . 1]" 1
723 1 56 LEU H 1 56 LEU HG 5.500 . 5.500 2.360 1.835 2.758 . 0 0 "[ . 1]" 1
724 1 56 LEU H 1 57 GLY H 5.500 . 5.500 2.353 2.230 2.507 . 0 0 "[ . 1]" 1
725 1 56 LEU H 1 58 GLN H 6.500 . 6.500 3.676 3.442 3.995 . 0 0 "[ . 1]" 1
726 1 56 LEU HB2 1 57 GLY H 6.500 . 6.500 3.576 3.049 4.239 . 0 0 "[ . 1]" 1
727 1 56 LEU HB2 1 58 GLN H 6.500 . 6.500 3.375 2.445 4.647 . 0 0 "[ . 1]" 1
728 1 56 LEU HB3 1 57 GLY H 6.500 . 6.500 4.165 3.945 4.580 . 0 0 "[ . 1]" 1
729 1 56 LEU HB3 1 58 GLN H 6.500 . 6.500 4.197 3.153 5.391 . 0 0 "[ . 1]" 1
730 1 56 LEU MD1 1 58 GLN H 6.500 . 6.500 3.435 1.766 4.991 . 0 0 "[ . 1]" 1
731 1 56 LEU MD2 1 58 GLN H 6.500 . 6.500 4.786 3.799 5.555 . 0 0 "[ . 1]" 1
732 1 56 LEU HG 1 57 GLY H 6.500 . 6.500 3.988 2.512 4.728 . 0 0 "[ . 1]" 1
733 1 57 GLY H 1 58 GLN H 5.500 . 5.500 2.380 2.249 2.643 . 0 0 "[ . 1]" 1
734 1 58 GLN H 1 59 SER H 6.500 . 6.500 4.245 4.185 4.319 . 0 0 "[ . 1]" 1
735 1 58 GLN H 1 63 VAL QG 6.500 . 6.500 4.845 4.260 5.792 . 0 0 "[ . 1]" 1
736 1 58 GLN HA 1 59 SER H 5.000 . 5.000 2.208 2.181 2.234 . 0 0 "[ . 1]" 1
737 1 58 GLN HA 1 62 ALA MB 6.500 . 6.500 4.324 3.859 4.914 . 0 0 "[ . 1]" 1
738 1 58 GLN QB 1 59 SER H 6.500 . 6.500 3.701 3.614 3.730 . 0 0 "[ . 1]" 1
739 1 58 GLN QB 1 62 ALA H 6.500 . 6.500 5.712 5.392 5.912 . 0 0 "[ . 1]" 1
740 1 58 GLN QB 1 63 VAL QG 6.500 . 6.500 3.350 2.516 4.209 . 0 0 "[ . 1]" 1
741 1 58 GLN HB2 1 59 SER H 6.500 . 6.500 4.260 4.188 4.294 . 0 0 "[ . 1]" 1
742 1 58 GLN HB3 1 59 SER H 6.500 . 6.500 4.065 3.949 4.112 . 0 0 "[ . 1]" 1
743 1 58 GLN QG 1 59 SER H 5.500 . 5.500 2.745 2.518 2.954 . 0 0 "[ . 1]" 1
744 1 58 GLN QG 1 61 GLU H 6.500 . 6.500 5.389 5.043 5.656 . 0 0 "[ . 1]" 1
745 1 58 GLN QG 1 62 ALA HA 6.500 . 6.500 4.612 4.370 5.091 . 0 0 "[ . 1]" 1
746 1 58 GLN QG 1 62 ALA MB 6.500 . 6.500 1.945 1.695 2.347 . 0 0 "[ . 1]" 1
747 1 58 GLN QG 1 63 VAL H 6.500 . 6.500 4.511 3.306 5.371 . 0 0 "[ . 1]" 1
748 1 59 SER H 1 60 MET H 6.500 . 6.500 4.504 4.460 4.563 . 0 0 "[ . 1]" 1
749 1 59 SER H 1 61 GLU H 6.500 . 6.500 4.851 4.551 5.051 . 0 0 "[ . 1]" 1
750 1 59 SER H 1 62 ALA H 6.500 . 6.500 4.574 4.269 4.918 . 0 0 "[ . 1]" 1
751 1 59 SER H 1 62 ALA MB 6.500 . 6.500 3.549 2.852 4.306 . 0 0 "[ . 1]" 1
752 1 59 SER H 1 63 VAL QG 6.500 . 6.500 4.501 3.835 5.254 . 0 0 "[ . 1]" 1
753 1 59 SER HA 1 60 MET H 5.000 . 5.000 2.560 2.380 2.670 . 0 0 "[ . 1]" 1
754 1 59 SER HA 1 60 MET HA 6.500 . 6.500 4.098 4.017 4.210 . 0 0 "[ . 1]" 1
755 1 59 SER HA 1 61 GLU H 6.500 . 6.500 4.465 4.158 4.673 . 0 0 "[ . 1]" 1
756 1 59 SER QB 1 60 MET H 5.500 . 5.500 2.036 1.862 2.310 . 0 0 "[ . 1]" 1
757 1 59 SER QB 1 61 GLU H 5.500 . 5.500 3.068 2.700 3.289 . 0 0 "[ . 1]" 1
758 1 59 SER QB 1 62 ALA H 6.500 . 6.500 4.505 4.039 4.769 . 0 0 "[ . 1]" 1
759 1 59 SER HB2 1 60 MET H 5.500 . 5.500 2.052 1.873 2.337 . 0 0 "[ . 1]" 1
760 1 59 SER HB2 1 61 GLU H 6.500 . 6.500 3.112 2.728 3.342 . 0 0 "[ . 1]" 1
761 1 59 SER HB2 1 62 ALA H 6.500 . 6.500 4.705 4.207 4.978 . 0 0 "[ . 1]" 1
762 1 59 SER HB2 1 62 ALA MB 6.500 . 6.500 5.214 4.529 5.715 . 0 0 "[ . 1]" 1
763 1 59 SER HB3 1 60 MET H 5.500 . 5.500 3.431 3.259 3.608 . 0 0 "[ . 1]" 1
764 1 59 SER HB3 1 61 GLU H 6.500 . 6.500 4.668 4.315 4.889 . 0 0 "[ . 1]" 1
765 1 59 SER HB3 1 62 ALA H 6.500 . 6.500 5.755 5.213 6.108 . 0 0 "[ . 1]" 1
766 1 59 SER HB3 1 62 ALA MB 6.500 . 6.500 5.526 4.662 6.200 . 0 0 "[ . 1]" 1
767 1 60 MET H 1 61 GLU H 5.500 . 5.500 2.712 2.643 2.802 . 0 0 "[ . 1]" 1
768 1 60 MET H 1 62 ALA H 6.500 . 6.500 4.191 3.967 4.534 . 0 0 "[ . 1]" 1
769 1 60 MET H 1 62 ALA MB 6.500 . 6.500 5.237 4.985 5.656 . 0 0 "[ . 1]" 1
770 1 60 MET H 1 63 VAL H 6.500 . 6.500 4.948 4.410 5.521 . 0 0 "[ . 1]" 1
771 1 60 MET H 1 63 VAL QG 6.500 . 6.500 3.859 3.647 3.990 . 0 0 "[ . 1]" 1
772 1 60 MET HA 1 62 ALA H 6.500 . 6.500 3.419 3.230 3.682 . 0 0 "[ . 1]" 1
773 1 60 MET HA 1 63 VAL H 6.500 . 6.500 2.930 2.517 3.376 . 0 0 "[ . 1]" 1
774 1 60 MET HA 1 63 VAL HB 6.500 . 6.500 4.314 4.033 4.590 . 0 0 "[ . 1]" 1
775 1 60 MET QB 1 63 VAL QG 6.500 . 6.500 3.039 2.727 3.695 . 0 0 "[ . 1]" 1
776 1 60 MET HG2 1 61 GLU H 6.500 . 6.500 4.578 4.467 4.733 . 0 0 "[ . 1]" 1
777 1 60 MET HG3 1 61 GLU H 6.500 . 6.500 3.180 2.940 3.573 . 0 0 "[ . 1]" 1
778 1 61 GLU H 1 62 ALA H 5.500 . 5.500 2.483 2.262 2.689 . 0 0 "[ . 1]" 1
779 1 61 GLU H 1 62 ALA MB 6.500 . 6.500 4.158 3.983 4.403 . 0 0 "[ . 1]" 1
780 1 61 GLU H 1 63 VAL H 6.500 . 6.500 3.874 3.651 4.122 . 0 0 "[ . 1]" 1
781 1 61 GLU H 1 63 VAL QG 6.500 . 6.500 4.181 3.972 4.463 . 0 0 "[ . 1]" 1
782 1 61 GLU HA 1 62 ALA H 5.500 . 5.500 3.327 3.216 3.442 . 0 0 "[ . 1]" 1
783 1 61 GLU HA 1 63 VAL H 6.500 . 6.500 3.872 3.510 4.426 . 0 0 "[ . 1]" 1
784 1 61 GLU HB2 1 62 ALA H 6.500 . 6.500 4.173 3.997 4.340 . 0 0 "[ . 1]" 1
785 1 61 GLU HB3 1 62 ALA H 6.500 . 6.500 4.282 4.127 4.416 . 0 0 "[ . 1]" 1
786 1 61 GLU HG2 1 62 ALA H 6.500 . 6.500 3.041 2.759 3.565 . 0 0 "[ . 1]" 1
787 1 61 GLU HG3 1 62 ALA H 6.500 . 6.500 3.980 2.791 4.817 . 0 0 "[ . 1]" 1
788 1 62 ALA H 1 63 VAL H 5.500 . 5.500 2.083 1.836 2.239 . 0 0 "[ . 1]" 1
789 1 62 ALA H 1 93 VAL MG1 6.500 . 6.500 6.334 5.710 6.586 0.086 7 0 "[ . 1]" 1
790 1 62 ALA H 1 94 GLN HB2 6.500 . 6.500 6.677 6.383 6.797 0.297 4 0 "[ . 1]" 1
791 1 62 ALA H 1 94 GLN HB3 6.500 . 6.500 5.885 4.638 6.648 0.148 9 0 "[ . 1]" 1
792 1 62 ALA H 1 94 GLN HG2 6.500 . 6.500 4.445 3.905 5.016 . 0 0 "[ . 1]" 1
793 1 62 ALA H 1 94 GLN HG3 6.500 . 6.500 5.420 4.308 6.682 0.182 3 0 "[ . 1]" 1
794 1 62 ALA MB 1 63 VAL H 6.500 . 6.500 3.200 2.761 3.424 . 0 0 "[ . 1]" 1
795 1 62 ALA MB 1 63 VAL QG 6.500 . 6.500 2.917 2.708 3.011 . 0 0 "[ . 1]" 1
796 1 62 ALA MB 1 64 ARG H 6.500 . 6.500 5.834 5.591 6.277 . 0 0 "[ . 1]" 1
797 1 63 VAL H 1 64 ARG H 6.500 . 6.500 4.075 3.892 4.417 . 0 0 "[ . 1]" 1
798 1 63 VAL H 1 94 GLN HA 6.500 . 6.500 3.651 2.899 4.895 . 0 0 "[ . 1]" 1
799 1 63 VAL H 1 94 GLN HG2 6.500 . 6.500 4.622 3.865 5.277 . 0 0 "[ . 1]" 1
800 1 63 VAL H 1 94 GLN HG3 6.500 . 6.500 5.213 4.011 6.087 . 0 0 "[ . 1]" 1
801 1 63 VAL HA 1 64 ARG H 5.500 . 5.500 2.195 2.131 2.473 . 0 0 "[ . 1]" 1
802 1 63 VAL HA 1 92 MET H 6.500 . 6.500 4.235 3.946 4.648 . 0 0 "[ . 1]" 1
803 1 63 VAL HA 1 93 VAL HA 5.500 . 5.500 2.905 2.281 3.410 . 0 0 "[ . 1]" 1
804 1 63 VAL HA 1 94 GLN H 5.500 . 5.500 2.108 1.440 2.605 . 0 0 "[ . 1]" 1
805 1 63 VAL HB 1 64 ARG H 6.500 . 6.500 3.398 2.196 3.744 . 0 0 "[ . 1]" 1
806 1 63 VAL HB 1 92 MET H 5.500 . 5.500 4.155 3.694 4.623 . 0 0 "[ . 1]" 1
807 1 63 VAL HB 1 94 GLN H 6.500 . 6.500 4.606 3.915 5.146 . 0 0 "[ . 1]" 1
808 1 63 VAL QG 1 64 ARG H 6.500 . 6.500 3.539 3.055 3.669 . 0 0 "[ . 1]" 1
809 1 63 VAL QG 1 65 PHE HA 6.500 . 6.500 5.000 4.326 5.577 . 0 0 "[ . 1]" 1
810 1 63 VAL QG 1 91 ALA HA 6.500 . 6.500 4.279 3.832 4.555 . 0 0 "[ . 1]" 1
811 1 63 VAL QG 1 91 ALA MB 6.500 . 6.500 2.635 2.281 2.885 . 0 0 "[ . 1]" 1
812 1 63 VAL QG 1 92 MET H 6.500 . 6.500 4.405 4.203 4.672 . 0 0 "[ . 1]" 1
813 1 63 VAL QG 1 93 VAL H 6.500 . 6.500 4.617 3.367 5.240 . 0 0 "[ . 1]" 1
814 1 63 VAL QG 1 93 VAL HA 6.500 . 6.500 3.012 2.052 3.714 . 0 0 "[ . 1]" 1
815 1 63 VAL QG 1 94 GLN H 6.500 . 6.500 3.335 3.096 3.623 . 0 0 "[ . 1]" 1
816 1 63 VAL MG1 1 64 ARG H 6.500 . 6.500 3.889 3.512 3.995 . 0 0 "[ . 1]" 1
817 1 63 VAL MG1 1 92 MET H 6.500 . 6.500 4.726 4.544 4.979 . 0 0 "[ . 1]" 1
818 1 63 VAL MG1 1 94 GLN H 6.500 . 6.500 3.421 3.172 3.734 . 0 0 "[ . 1]" 1
819 1 63 VAL MG2 1 64 ARG H 6.500 . 6.500 4.092 3.359 4.296 . 0 0 "[ . 1]" 1
820 1 63 VAL MG2 1 92 MET H 6.500 . 6.500 5.294 4.706 5.680 . 0 0 "[ . 1]" 1
821 1 63 VAL MG2 1 94 GLN H 6.500 . 6.500 4.625 4.272 4.889 . 0 0 "[ . 1]" 1
822 1 64 ARG H 1 64 ARG HD2 6.500 . 6.500 5.180 4.473 6.026 . 0 0 "[ . 1]" 1
823 1 64 ARG H 1 64 ARG HD3 6.500 . 6.500 4.982 4.329 5.947 . 0 0 "[ . 1]" 1
824 1 64 ARG H 1 65 PHE H 6.500 . 6.500 4.425 4.204 4.570 . 0 0 "[ . 1]" 1
825 1 64 ARG H 1 91 ALA HA 6.500 . 6.500 4.058 3.530 4.588 . 0 0 "[ . 1]" 1
826 1 64 ARG H 1 91 ALA MB 6.500 . 6.500 3.931 3.458 4.318 . 0 0 "[ . 1]" 1
827 1 64 ARG H 1 92 MET H 5.500 . 5.500 2.888 2.351 3.308 . 0 0 "[ . 1]" 1
828 1 64 ARG H 1 92 MET HA 6.500 . 6.500 4.544 4.139 4.885 . 0 0 "[ . 1]" 1
829 1 64 ARG H 1 92 MET HB2 6.500 . 6.500 3.776 3.108 4.538 . 0 0 "[ . 1]" 1
830 1 64 ARG H 1 92 MET HB3 6.500 . 6.500 4.539 3.116 5.173 . 0 0 "[ . 1]" 1
831 1 64 ARG H 1 92 MET HG2 6.500 . 6.500 5.912 4.355 6.569 0.069 9 0 "[ . 1]" 1
832 1 64 ARG H 1 92 MET HG3 6.500 . 6.500 5.623 4.686 6.385 . 0 0 "[ . 1]" 1
833 1 64 ARG H 1 92 MET O 4.500 . 4.500 1.839 1.675 2.018 . 0 0 "[ . 1]" 1
834 1 64 ARG H 1 93 VAL HA 6.500 . 6.500 4.056 3.721 4.278 . 0 0 "[ . 1]" 1
835 1 64 ARG H 1 93 VAL HB 6.500 . 6.500 6.164 5.930 6.521 0.021 4 0 "[ . 1]" 1
836 1 64 ARG H 1 93 VAL MG1 6.500 . 6.500 5.484 5.160 5.694 . 0 0 "[ . 1]" 1
837 1 64 ARG H 1 93 VAL MG2 6.500 . 6.500 5.481 5.354 5.640 . 0 0 "[ . 1]" 1
838 1 64 ARG H 1 94 GLN HG2 6.500 . 6.500 5.980 4.792 6.519 0.019 4 0 "[ . 1]" 1
839 1 64 ARG H 1 94 GLN HG3 6.500 . 6.500 5.865 4.626 6.371 . 0 0 "[ . 1]" 1
840 1 64 ARG HA 1 65 PHE H 5.000 . 5.000 2.159 2.081 2.247 . 0 0 "[ . 1]" 1
841 1 64 ARG HB2 1 65 PHE H 6.500 . 6.500 4.264 4.042 4.542 . 0 0 "[ . 1]" 1
842 1 64 ARG HB2 1 94 GLN H 6.500 . 6.500 4.453 3.838 5.344 . 0 0 "[ . 1]" 1
843 1 64 ARG HB2 1 96 THR H 6.500 . 6.500 4.295 2.488 6.529 0.029 10 0 "[ . 1]" 1
844 1 64 ARG HB3 1 65 PHE H 6.500 . 6.500 4.026 3.524 4.376 . 0 0 "[ . 1]" 1
845 1 64 ARG HB3 1 94 GLN H 6.500 . 6.500 5.109 4.214 5.755 . 0 0 "[ . 1]" 1
846 1 64 ARG HB3 1 96 THR H 6.500 . 6.500 4.963 2.962 6.527 0.027 1 0 "[ . 1]" 1
847 1 64 ARG N 1 92 MET O 4.500 . 4.500 2.708 2.617 2.875 . 0 0 "[ . 1]" 1
848 1 64 ARG O 1 92 MET H 4.500 . 4.500 1.962 1.775 2.257 . 0 0 "[ . 1]" 1
849 1 64 ARG O 1 92 MET N 4.500 . 4.500 2.899 2.749 3.147 . 0 0 "[ . 1]" 1
850 1 65 PHE H 1 66 LEU H 6.500 . 6.500 4.344 4.177 4.484 . 0 0 "[ . 1]" 1
851 1 65 PHE H 1 71 ARG HA 6.500 . 6.500 5.499 5.170 5.978 . 0 0 "[ . 1]" 1
852 1 65 PHE H 1 71 ARG HB2 6.500 . 6.500 4.951 4.292 5.506 . 0 0 "[ . 1]" 1
853 1 65 PHE H 1 71 ARG HB3 6.500 . 6.500 5.176 4.040 6.073 . 0 0 "[ . 1]" 1
854 1 65 PHE HA 1 72 ILE H 6.500 . 6.500 6.247 5.708 6.525 0.025 4 0 "[ . 1]" 1
855 1 65 PHE HA 1 89 ILE MG 6.500 . 6.500 2.908 2.518 3.155 . 0 0 "[ . 1]" 1
856 1 65 PHE HA 1 91 ALA HA 5.000 . 5.000 2.622 2.254 3.323 . 0 0 "[ . 1]" 1
857 1 65 PHE HA 1 91 ALA MB 6.500 . 6.500 3.466 2.942 4.387 . 0 0 "[ . 1]" 1
858 1 65 PHE HA 1 92 MET H 6.500 . 6.500 3.972 3.577 4.443 . 0 0 "[ . 1]" 1
859 1 65 PHE QB 1 66 LEU H 6.500 . 6.500 3.413 3.151 3.597 . 0 0 "[ . 1]" 1
860 1 65 PHE QB 1 72 ILE H 6.500 . 6.500 4.859 4.350 5.458 . 0 0 "[ . 1]" 1
861 1 65 PHE QB 1 91 ALA HA 6.500 . 6.500 4.266 3.854 4.847 . 0 0 "[ . 1]" 1
862 1 65 PHE QB 1 92 MET H 6.500 . 6.500 5.567 5.299 5.876 . 0 0 "[ . 1]" 1
863 1 65 PHE HB2 1 66 LEU H 6.500 . 6.500 3.864 3.250 4.377 . 0 0 "[ . 1]" 1
864 1 65 PHE HB2 1 72 ILE H 6.500 . 6.500 5.094 4.464 5.859 . 0 0 "[ . 1]" 1
865 1 65 PHE HB2 1 91 ALA HA 6.500 . 6.500 5.212 4.695 5.912 . 0 0 "[ . 1]" 1
866 1 65 PHE HB3 1 66 LEU H 6.500 . 6.500 3.991 3.433 4.289 . 0 0 "[ . 1]" 1
867 1 65 PHE HB3 1 72 ILE H 6.500 . 6.500 6.251 5.711 6.550 0.050 3 0 "[ . 1]" 1
868 1 65 PHE HB3 1 91 ALA HA 6.500 . 6.500 4.534 4.060 5.148 . 0 0 "[ . 1]" 1
869 1 66 LEU H 1 67 TYR H 6.500 . 6.500 4.419 4.274 4.505 . 0 0 "[ . 1]" 1
870 1 66 LEU H 1 89 ILE HA 6.500 . 6.500 4.416 4.092 4.732 . 0 0 "[ . 1]" 1
871 1 66 LEU H 1 89 ILE MD 6.500 . 6.500 5.787 5.276 6.227 . 0 0 "[ . 1]" 1
872 1 66 LEU H 1 89 ILE MG 6.500 . 6.500 3.008 2.487 3.385 . 0 0 "[ . 1]" 1
873 1 66 LEU H 1 90 ASP H 6.500 . 6.500 2.981 2.738 3.247 . 0 0 "[ . 1]" 1
874 1 66 LEU H 1 90 ASP HA 6.500 . 6.500 4.574 4.376 4.717 . 0 0 "[ . 1]" 1
875 1 66 LEU H 1 90 ASP HB2 6.500 . 6.500 4.800 4.434 5.039 . 0 0 "[ . 1]" 1
876 1 66 LEU H 1 90 ASP HB3 6.500 . 6.500 3.579 3.304 3.775 . 0 0 "[ . 1]" 1
877 1 66 LEU H 1 90 ASP O 4.500 . 4.500 1.755 1.648 1.880 . 0 0 "[ . 1]" 1
878 1 66 LEU H 1 91 ALA H 6.500 . 6.500 4.745 4.601 4.894 . 0 0 "[ . 1]" 1
879 1 66 LEU H 1 91 ALA HA 6.500 . 6.500 3.396 3.100 3.709 . 0 0 "[ . 1]" 1
880 1 66 LEU H 1 91 ALA MB 6.500 . 6.500 4.529 4.103 4.891 . 0 0 "[ . 1]" 1
881 1 66 LEU H 1 92 MET H 6.500 . 6.500 4.340 4.024 4.519 . 0 0 "[ . 1]" 1
882 1 66 LEU HA 1 67 TYR H 5.500 . 5.500 2.215 2.165 2.261 . 0 0 "[ . 1]" 1
883 1 66 LEU HA 1 69 GLY H 6.500 . 6.500 5.076 4.732 5.326 . 0 0 "[ . 1]" 1
884 1 66 LEU HA 1 70 ASP H 6.500 . 6.500 4.520 4.290 5.018 . 0 0 "[ . 1]" 1
885 1 66 LEU HA 1 70 ASP HA 6.500 . 6.500 4.554 4.199 5.019 . 0 0 "[ . 1]" 1
886 1 66 LEU HA 1 70 ASP QB 6.500 . 6.500 5.282 5.088 5.723 . 0 0 "[ . 1]" 1
887 1 66 LEU HA 1 71 ARG H 6.500 . 6.500 3.389 3.118 3.763 . 0 0 "[ . 1]" 1
888 1 66 LEU HA 1 71 ARG HA 5.000 . 5.000 1.667 1.441 1.892 . 0 0 "[ . 1]" 1
889 1 66 LEU HA 1 90 ASP HB2 6.500 . 6.500 6.400 5.497 6.601 0.101 10 0 "[ . 1]" 1
890 1 66 LEU HA 1 90 ASP HB3 6.500 . 6.500 5.242 5.030 5.583 . 0 0 "[ . 1]" 1
891 1 66 LEU QB 1 67 TYR H 6.500 . 6.500 3.225 2.836 3.486 . 0 0 "[ . 1]" 1
892 1 66 LEU QB 1 90 ASP QB 5.500 . 5.500 2.361 2.091 2.680 . 0 0 "[ . 1]" 1
893 1 66 LEU HB2 1 69 GLY H 6.500 . 6.500 4.420 4.028 4.885 . 0 0 "[ . 1]" 1
894 1 66 LEU HB2 1 71 ARG H 6.500 . 6.500 4.802 4.497 5.308 . 0 0 "[ . 1]" 1
895 1 66 LEU HB2 1 71 ARG HA 6.500 . 6.500 4.513 4.185 4.789 . 0 0 "[ . 1]" 1
896 1 66 LEU HB2 1 90 ASP HA 6.500 . 6.500 4.883 4.500 5.144 . 0 0 "[ . 1]" 1
897 1 66 LEU HB3 1 69 GLY H 6.500 . 6.500 3.538 3.094 4.054 . 0 0 "[ . 1]" 1
898 1 66 LEU HB3 1 71 ARG H 6.500 . 6.500 3.460 3.134 4.003 . 0 0 "[ . 1]" 1
899 1 66 LEU HB3 1 71 ARG HA 6.500 . 6.500 3.734 3.260 4.056 . 0 0 "[ . 1]" 1
900 1 66 LEU HB3 1 90 ASP HA 6.500 . 6.500 6.332 5.860 6.584 0.084 1 0 "[ . 1]" 1
901 1 66 LEU QD 1 71 ARG HA 5.500 . 5.500 3.462 3.114 3.748 . 0 0 "[ . 1]" 1
902 1 66 LEU MD1 1 67 TYR H 6.500 . 6.500 4.792 4.606 5.053 . 0 0 "[ . 1]" 1
903 1 66 LEU MD1 1 69 GLY H 6.500 . 6.500 5.916 5.634 6.307 . 0 0 "[ . 1]" 1
904 1 66 LEU MD1 1 70 ASP H 6.500 . 6.500 5.974 5.688 6.215 . 0 0 "[ . 1]" 1
905 1 66 LEU MD1 1 71 ARG H 6.500 . 6.500 4.094 3.706 4.603 . 0 0 "[ . 1]" 1
906 1 66 LEU MD1 1 90 ASP H 6.500 . 6.500 4.451 4.131 4.822 . 0 0 "[ . 1]" 1
907 1 66 LEU MD2 1 67 TYR H 6.500 . 6.500 4.808 4.336 5.102 . 0 0 "[ . 1]" 1
908 1 66 LEU MD2 1 69 GLY H 6.500 . 6.500 4.736 4.212 5.268 . 0 0 "[ . 1]" 1
909 1 66 LEU MD2 1 70 ASP H 6.500 . 6.500 4.410 4.151 4.607 . 0 0 "[ . 1]" 1
910 1 66 LEU MD2 1 71 ARG H 6.500 . 6.500 2.913 2.378 3.712 . 0 0 "[ . 1]" 1
911 1 66 LEU MD2 1 90 ASP H 6.500 . 6.500 5.063 4.832 5.362 . 0 0 "[ . 1]" 1
912 1 66 LEU HG 1 67 TYR H 6.500 . 6.500 4.307 4.019 4.594 . 0 0 "[ . 1]" 1
913 1 66 LEU HG 1 69 GLY H 6.500 . 6.500 5.997 5.517 6.516 0.016 5 0 "[ . 1]" 1
914 1 66 LEU HG 1 70 ASP H 6.500 . 6.500 5.254 4.799 5.677 . 0 0 "[ . 1]" 1
915 1 66 LEU HG 1 90 ASP H 6.500 . 6.500 5.838 5.639 6.163 . 0 0 "[ . 1]" 1
916 1 66 LEU N 1 90 ASP O 4.500 . 4.500 2.720 2.623 2.836 . 0 0 "[ . 1]" 1
917 1 66 LEU O 1 90 ASP H 4.500 . 4.500 1.765 1.639 1.931 . 0 0 "[ . 1]" 1
918 1 66 LEU O 1 90 ASP N 4.500 . 4.500 2.716 2.600 2.869 . 0 0 "[ . 1]" 1
919 1 67 TYR H 1 68 ASP H 6.500 . 6.500 4.397 4.131 4.517 . 0 0 "[ . 1]" 1
920 1 67 TYR H 1 69 GLY H 6.500 . 6.500 4.080 3.865 4.289 . 0 0 "[ . 1]" 1
921 1 67 TYR H 1 69 GLY HA2 6.500 . 6.500 5.435 5.176 5.704 . 0 0 "[ . 1]" 1
922 1 67 TYR H 1 69 GLY HA3 6.500 . 6.500 6.084 5.821 6.335 . 0 0 "[ . 1]" 1
923 1 67 TYR H 1 70 ASP H 6.500 . 6.500 3.302 3.060 3.592 . 0 0 "[ . 1]" 1
924 1 67 TYR H 1 70 ASP HB2 6.500 . 6.500 5.482 5.077 6.059 . 0 0 "[ . 1]" 1
925 1 67 TYR H 1 70 ASP HB3 6.500 . 6.500 4.398 4.028 5.051 . 0 0 "[ . 1]" 1
926 1 67 TYR H 1 71 ARG H 6.500 . 6.500 4.125 3.806 4.580 . 0 0 "[ . 1]" 1
927 1 67 TYR H 1 89 ILE HA 6.500 . 6.500 4.720 4.334 5.044 . 0 0 "[ . 1]" 1
928 1 67 TYR H 1 89 ILE MD 6.500 . 6.500 5.792 4.877 6.422 . 0 0 "[ . 1]" 1
929 1 67 TYR H 1 89 ILE MG 6.500 . 6.500 4.058 3.379 4.597 . 0 0 "[ . 1]" 1
930 1 67 TYR HA 1 68 ASP H 5.500 . 5.500 2.185 2.090 2.296 . 0 0 "[ . 1]" 1
931 1 67 TYR HA 1 69 GLY H 6.500 . 6.500 3.313 2.787 4.281 . 0 0 "[ . 1]" 1
932 1 67 TYR HA 1 70 ASP H 6.500 . 6.500 4.262 3.875 4.550 . 0 0 "[ . 1]" 1
933 1 67 TYR HA 1 71 ARG H 6.500 . 6.500 6.684 6.651 6.729 0.229 2 0 "[ . 1]" 1
934 1 67 TYR HA 1 89 ILE HA 6.500 . 6.500 2.397 2.028 2.741 . 0 0 "[ . 1]" 1
935 1 67 TYR HA 1 90 ASP H 6.500 . 6.500 3.535 3.051 3.867 . 0 0 "[ . 1]" 1
936 1 67 TYR HB2 1 68 ASP H 6.500 . 6.500 3.621 2.622 4.598 . 0 0 "[ . 1]" 1
937 1 67 TYR HB2 1 69 GLY H 6.500 . 6.500 5.055 4.608 5.887 . 0 0 "[ . 1]" 1
938 1 67 TYR HB2 1 70 ASP H 6.500 . 6.500 4.913 4.100 5.730 . 0 0 "[ . 1]" 1
939 1 67 TYR HB2 1 90 ASP H 6.500 . 6.500 5.779 4.810 6.539 0.039 2 0 "[ . 1]" 1
940 1 67 TYR HB3 1 68 ASP H 6.500 . 6.500 3.832 3.177 4.356 . 0 0 "[ . 1]" 1
941 1 67 TYR HB3 1 69 GLY H 6.500 . 6.500 5.231 4.992 5.505 . 0 0 "[ . 1]" 1
942 1 67 TYR HB3 1 70 ASP H 6.500 . 6.500 5.131 3.883 5.748 . 0 0 "[ . 1]" 1
943 1 67 TYR HB3 1 88 VAL H 6.500 . 6.500 6.058 5.593 6.516 0.016 9 0 "[ . 1]" 1
944 1 67 TYR HB3 1 90 ASP H 6.500 . 6.500 5.560 4.567 6.409 . 0 0 "[ . 1]" 1
945 1 68 ASP H 1 69 GLY H 5.500 . 5.500 2.689 2.592 2.962 . 0 0 "[ . 1]" 1
946 1 68 ASP H 1 69 GLY HA2 6.500 . 6.500 5.015 4.892 5.332 . 0 0 "[ . 1]" 1
947 1 68 ASP H 1 69 GLY QA 6.500 . 6.500 4.585 4.493 4.815 . 0 0 "[ . 1]" 1
948 1 68 ASP H 1 69 GLY HA3 6.500 . 6.500 5.308 5.235 5.486 . 0 0 "[ . 1]" 1
949 1 68 ASP H 1 70 ASP H 6.500 . 6.500 4.194 4.042 4.390 . 0 0 "[ . 1]" 1
950 1 68 ASP H 1 88 VAL QG 6.500 . 6.500 3.274 2.476 3.848 . 0 0 "[ . 1]" 1
951 1 68 ASP H 1 88 VAL O 4.500 . 4.500 2.295 1.967 2.639 . 0 0 "[ . 1]" 1
952 1 68 ASP H 1 89 ILE HA 6.500 . 6.500 3.461 2.928 3.999 . 0 0 "[ . 1]" 1
953 1 68 ASP H 1 89 ILE HB 6.500 . 6.500 6.168 5.778 6.561 0.061 4 0 "[ . 1]" 1
954 1 68 ASP H 1 89 ILE MD 6.500 . 6.500 5.541 5.204 5.901 . 0 0 "[ . 1]" 1
955 1 68 ASP H 1 89 ILE HG12 6.500 . 6.500 4.254 3.882 4.654 . 0 0 "[ . 1]" 1
956 1 68 ASP H 1 89 ILE HG13 6.500 . 6.500 4.959 4.626 5.280 . 0 0 "[ . 1]" 1
957 1 68 ASP H 1 89 ILE MG 6.500 . 6.500 4.784 4.441 5.135 . 0 0 "[ . 1]" 1
958 1 68 ASP HA 1 69 GLY H 5.500 . 5.500 2.922 2.674 3.004 . 0 0 "[ . 1]" 1
959 1 68 ASP HA 1 70 ASP H 6.500 . 6.500 4.405 4.246 4.492 . 0 0 "[ . 1]" 1
960 1 68 ASP QB 1 69 GLY H 6.500 . 6.500 3.792 3.730 3.962 . 0 0 "[ . 1]" 1
961 1 68 ASP QB 1 70 ASP H 6.500 . 6.500 3.436 3.129 3.881 . 0 0 "[ . 1]" 1
962 1 68 ASP HB2 1 69 GLY H 6.500 . 6.500 4.536 4.490 4.621 . 0 0 "[ . 1]" 1
963 1 68 ASP HB3 1 69 GLY H 6.500 . 6.500 4.067 3.976 4.311 . 0 0 "[ . 1]" 1
964 1 68 ASP N 1 88 VAL O 4.500 . 4.500 3.190 2.878 3.513 . 0 0 "[ . 1]" 1
965 1 69 GLY H 1 70 ASP H 5.500 . 5.500 2.604 2.467 2.772 . 0 0 "[ . 1]" 1
966 1 69 GLY H 1 89 ILE HA 6.500 . 6.500 4.501 4.165 5.269 . 0 0 "[ . 1]" 1
967 1 69 GLY QA 1 70 ASP H 5.500 . 5.500 2.921 2.889 2.951 . 0 0 "[ . 1]" 1
968 1 70 ASP H 1 71 ARG H 6.500 . 6.500 4.233 4.142 4.283 . 0 0 "[ . 1]" 1
969 1 70 ASP HB2 1 71 ARG H 6.500 . 6.500 4.331 4.227 4.493 . 0 0 "[ . 1]" 1
970 1 70 ASP HB3 1 71 ARG H 6.500 . 6.500 4.188 4.061 4.328 . 0 0 "[ . 1]" 1
971 1 71 ARG H 1 71 ARG HD2 6.500 . 6.500 3.908 2.476 4.541 . 0 0 "[ . 1]" 1
972 1 71 ARG H 1 71 ARG HD3 6.500 . 6.500 3.330 1.438 4.411 . 0 0 "[ . 1]" 1
973 1 71 ARG H 1 72 ILE H 6.500 . 6.500 4.517 4.357 4.653 . 0 0 "[ . 1]" 1
974 1 72 ILE H 1 73 HIS H 6.500 . 6.500 4.318 4.244 4.403 . 0 0 "[ . 1]" 1
975 1 73 HIS H 1 74 GLY H 6.500 . 6.500 4.564 4.480 4.633 . 0 0 "[ . 1]" 1
976 1 73 HIS H 1 76 ASN H 6.500 . 6.500 4.628 4.297 5.619 . 0 0 "[ . 1]" 1
977 1 73 HIS H 1 76 ASN QB 6.500 . 6.500 3.689 3.054 5.259 . 0 0 "[ . 1]" 1
978 1 73 HIS HA 1 74 GLY H 5.500 . 5.500 2.276 2.184 2.358 . 0 0 "[ . 1]" 1
979 1 73 HIS HA 1 75 ASP H 6.500 . 6.500 4.020 3.712 4.427 . 0 0 "[ . 1]" 1
980 1 73 HIS QB 1 75 ASP H 6.500 . 6.500 2.588 2.137 3.011 . 0 0 "[ . 1]" 1
981 1 73 HIS HB2 1 74 GLY H 6.500 . 6.500 3.710 2.560 4.316 . 0 0 "[ . 1]" 1
982 1 73 HIS HB2 1 75 ASP H 6.500 . 6.500 3.397 2.775 3.933 . 0 0 "[ . 1]" 1
983 1 73 HIS HB3 1 74 GLY H 6.500 . 6.500 3.009 2.518 3.635 . 0 0 "[ . 1]" 1
984 1 73 HIS HB3 1 75 ASP H 6.500 . 6.500 2.993 2.171 4.754 . 0 0 "[ . 1]" 1
985 1 74 GLY H 1 75 ASP H 6.500 . 6.500 2.613 2.429 2.705 . 0 0 "[ . 1]" 1
986 1 74 GLY H 1 76 ASN H 6.500 . 6.500 4.319 4.138 4.739 . 0 0 "[ . 1]" 1
987 1 75 ASP H 1 76 ASN H 6.500 . 6.500 2.588 2.406 2.714 . 0 0 "[ . 1]" 1
988 1 76 ASN H 1 77 THR H 5.000 . 5.000 2.536 2.443 2.614 . 0 0 "[ . 1]" 1
989 1 76 ASN HA 1 77 THR H 6.500 . 6.500 3.443 3.242 3.525 . 0 0 "[ . 1]" 1
990 1 76 ASN QB 1 77 THR H 5.500 . 5.500 2.819 2.508 3.392 . 0 0 "[ . 1]" 1
991 1 76 ASN HB2 1 77 THR H 6.500 . 6.500 3.827 2.565 4.235 . 0 0 "[ . 1]" 1
992 1 76 ASN HB3 1 77 THR H 6.500 . 6.500 2.994 2.568 3.569 . 0 0 "[ . 1]" 1
993 1 77 THR H 1 80 GLN H 6.500 . 6.500 5.743 5.573 5.999 . 0 0 "[ . 1]" 1
994 1 77 THR H 1 80 GLN HB2 6.500 . 6.500 5.653 4.976 6.493 . 0 0 "[ . 1]" 1
995 1 77 THR H 1 80 GLN HB3 6.500 . 6.500 5.406 5.046 6.560 0.060 2 0 "[ . 1]" 1
996 1 77 THR HA 1 80 GLN H 6.500 . 6.500 5.017 4.800 5.199 . 0 0 "[ . 1]" 1
997 1 77 THR HB 1 80 GLN H 6.500 . 6.500 3.947 3.529 4.442 . 0 0 "[ . 1]" 1
998 1 77 THR MG 1 80 GLN H 6.500 . 6.500 4.714 3.875 5.128 . 0 0 "[ . 1]" 1
999 1 80 GLN H 1 81 LEU H 6.500 . 6.500 2.533 2.343 2.703 . 0 0 "[ . 1]" 1
1000 1 80 GLN H 1 82 GLY H 6.500 . 6.500 4.111 3.784 4.297 . 0 0 "[ . 1]" 1
1001 1 80 GLN H 1 84 GLU QG 6.500 . 6.500 6.207 5.695 6.567 0.067 2 0 "[ . 1]" 1
1002 1 80 GLN HA 1 82 GLY H 6.500 . 6.500 4.508 4.326 4.778 . 0 0 "[ . 1]" 1
1003 1 80 GLN HB2 1 81 LEU H 6.500 . 6.500 3.977 3.364 4.241 . 0 0 "[ . 1]" 1
1004 1 80 GLN HB3 1 81 LEU H 6.500 . 6.500 3.115 2.612 4.177 . 0 0 "[ . 1]" 1
1005 1 80 GLN HG2 1 81 LEU H 6.500 . 6.500 4.787 3.965 5.328 . 0 0 "[ . 1]" 1
1006 1 80 GLN HG3 1 81 LEU H 6.500 . 6.500 4.484 3.834 5.104 . 0 0 "[ . 1]" 1
1007 1 81 LEU H 1 82 GLY H 6.500 . 6.500 2.235 2.043 2.330 . 0 0 "[ . 1]" 1
1008 1 81 LEU H 1 83 ILE H 6.500 . 6.500 3.926 3.722 4.053 . 0 0 "[ . 1]" 1
1009 1 81 LEU H 1 83 ILE HB 6.500 . 6.500 6.406 5.971 6.629 0.129 4 0 "[ . 1]" 1
1010 1 81 LEU H 1 83 ILE MG 6.500 . 6.500 4.063 3.395 4.464 . 0 0 "[ . 1]" 1
1011 1 81 LEU H 1 84 GLU QG 6.500 . 6.500 6.489 5.941 6.619 0.119 10 0 "[ . 1]" 1
1012 1 81 LEU HA 1 83 ILE H 6.500 . 6.500 4.440 4.326 4.619 . 0 0 "[ . 1]" 1
1013 1 81 LEU QD 1 82 GLY H 6.500 . 6.500 4.124 4.093 4.149 . 0 0 "[ . 1]" 1
1014 1 81 LEU MD1 1 82 GLY H 6.500 . 6.500 4.618 4.586 4.653 . 0 0 "[ . 1]" 1
1015 1 81 LEU MD2 1 82 GLY H 6.500 . 6.500 4.641 4.577 4.727 . 0 0 "[ . 1]" 1
1016 1 81 LEU HG 1 82 GLY H 6.500 . 6.500 4.178 4.084 4.344 . 0 0 "[ . 1]" 1
1017 1 81 LEU HG 1 83 ILE H 6.500 . 6.500 3.321 2.932 5.021 . 0 0 "[ . 1]" 1
1018 1 82 GLY H 1 83 ILE H 5.500 . 5.500 2.432 2.310 2.497 . 0 0 "[ . 1]" 1
1019 1 82 GLY H 1 83 ILE HB 6.500 . 6.500 5.173 5.036 5.288 . 0 0 "[ . 1]" 1
1020 1 82 GLY H 1 83 ILE MD 6.500 . 6.500 6.178 5.915 6.533 0.033 4 0 "[ . 1]" 1
1021 1 82 GLY H 1 83 ILE MG 6.500 . 6.500 3.625 3.165 3.897 . 0 0 "[ . 1]" 1
1022 1 82 GLY H 1 84 GLU H 6.500 . 6.500 5.895 5.726 6.020 . 0 0 "[ . 1]" 1
1023 1 82 GLY H 1 84 GLU HB2 6.500 . 6.500 5.169 4.869 6.560 0.060 8 0 "[ . 1]" 1
1024 1 82 GLY H 1 84 GLU HB3 6.500 . 6.500 6.489 4.908 6.740 0.240 6 0 "[ . 1]" 1
1025 1 82 GLY H 1 84 GLU QG 6.500 . 6.500 5.704 4.438 6.239 . 0 0 "[ . 1]" 1
1026 1 82 GLY QA 1 84 GLU H 6.500 . 6.500 5.417 4.883 5.778 . 0 0 "[ . 1]" 1
1027 1 83 ILE H 1 84 GLU H 6.500 . 6.500 4.499 4.413 4.582 . 0 0 "[ . 1]" 1
1028 1 83 ILE HA 1 84 GLU H 5.500 . 5.500 2.252 2.118 2.434 . 0 0 "[ . 1]" 1
1029 1 83 ILE HB 1 84 GLU H 6.500 . 6.500 4.100 3.910 4.268 . 0 0 "[ . 1]" 1
1030 1 83 ILE MD 1 84 GLU H 6.500 . 6.500 3.379 2.148 4.592 . 0 0 "[ . 1]" 1
1031 1 83 ILE QG 1 84 GLU H 6.500 . 6.500 2.340 1.735 2.937 . 0 0 "[ . 1]" 1
1032 1 83 ILE QG 1 86 GLY H 6.500 . 6.500 5.627 5.228 6.113 . 0 0 "[ . 1]" 1
1033 1 83 ILE HG12 1 86 GLY H 6.500 . 6.500 6.497 6.071 6.624 0.124 5 0 "[ . 1]" 1
1034 1 83 ILE MG 1 84 GLU H 6.500 . 6.500 3.733 3.253 4.205 . 0 0 "[ . 1]" 1
1035 1 84 GLU H 1 85 ASP H 6.500 . 6.500 4.165 4.074 4.346 . 0 0 "[ . 1]" 1
1036 1 84 GLU H 1 87 ASP H 6.500 . 6.500 4.771 4.228 5.277 . 0 0 "[ . 1]" 1
1037 1 84 GLU H 1 87 ASP HA 6.500 . 6.500 5.307 4.230 6.510 0.010 4 0 "[ . 1]" 1
1038 1 84 GLU H 1 87 ASP HB2 6.500 . 6.500 4.422 3.268 5.519 . 0 0 "[ . 1]" 1
1039 1 84 GLU H 1 87 ASP HB3 6.500 . 6.500 4.284 3.327 5.202 . 0 0 "[ . 1]" 1
1040 1 84 GLU HA 1 85 ASP H 5.500 . 5.500 2.946 2.628 3.057 . 0 0 "[ . 1]" 1
1041 1 84 GLU HB2 1 85 ASP H 6.500 . 6.500 3.342 1.601 3.718 . 0 0 "[ . 1]" 1
1042 1 84 GLU HB3 1 85 ASP H 6.500 . 6.500 2.546 2.210 3.235 . 0 0 "[ . 1]" 1
1043 1 84 GLU QG 1 85 ASP H 5.500 . 5.500 1.667 1.332 3.412 . 0 0 "[ . 1]" 1
1044 1 84 GLU QG 1 86 GLY H 6.500 . 6.500 5.604 5.155 6.620 0.120 8 0 "[ . 1]" 1
1045 1 84 GLU QG 1 87 ASP H 6.500 . 6.500 5.725 5.242 6.067 . 0 0 "[ . 1]" 1
1046 1 84 GLU HG2 1 85 ASP H 6.500 . 6.500 1.708 1.334 3.790 . 0 0 "[ . 1]" 1
1047 1 84 GLU HG3 1 85 ASP H 6.500 . 6.500 3.104 2.777 3.872 . 0 0 "[ . 1]" 1
1048 1 85 ASP H 1 86 GLY H 6.500 . 6.500 4.419 4.236 4.553 . 0 0 "[ . 1]" 1
1049 1 85 ASP H 1 87 ASP H 6.500 . 6.500 4.849 4.596 5.085 . 0 0 "[ . 1]" 1
1050 1 85 ASP HA 1 86 GLY H 5.500 . 5.500 2.111 2.084 2.136 . 0 0 "[ . 1]" 1
1051 1 85 ASP HA 1 87 ASP H 6.500 . 6.500 3.321 3.092 3.447 . 0 0 "[ . 1]" 1
1052 1 85 ASP HB2 1 86 GLY H 6.500 . 6.500 3.908 3.195 4.352 . 0 0 "[ . 1]" 1
1053 1 85 ASP HB2 1 87 ASP H 6.500 . 6.500 5.432 4.920 5.685 . 0 0 "[ . 1]" 1
1054 1 85 ASP HB3 1 86 GLY H 6.500 . 6.500 4.334 4.162 4.406 . 0 0 "[ . 1]" 1
1055 1 85 ASP HB3 1 87 ASP H 6.500 . 6.500 5.571 5.413 5.689 . 0 0 "[ . 1]" 1
1056 1 86 GLY H 1 87 ASP H 5.500 . 5.500 2.046 1.899 2.230 . 0 0 "[ . 1]" 1
1057 1 87 ASP H 1 88 VAL H 6.500 . 6.500 4.570 4.447 4.631 . 0 0 "[ . 1]" 1
1058 1 87 ASP HA 1 88 VAL H 5.500 . 5.500 2.447 2.204 2.699 . 0 0 "[ . 1]" 1
1059 1 87 ASP HB2 1 88 VAL H 6.500 . 6.500 3.028 1.955 3.997 . 0 0 "[ . 1]" 1
1060 1 87 ASP HB3 1 88 VAL H 6.500 . 6.500 3.684 3.359 4.096 . 0 0 "[ . 1]" 1
1061 1 88 VAL H 1 89 ILE H 6.500 . 6.500 4.401 4.339 4.461 . 0 0 "[ . 1]" 1
1062 1 88 VAL HA 1 89 ILE HB 6.500 . 6.500 4.572 4.479 4.652 . 0 0 "[ . 1]" 1
1063 1 88 VAL HA 1 89 ILE MD 6.500 . 6.500 4.751 4.599 4.852 . 0 0 "[ . 1]" 1
1064 1 88 VAL HB 1 89 ILE H 6.500 . 6.500 2.577 2.384 2.820 . 0 0 "[ . 1]" 1
1065 1 88 VAL MG1 1 89 ILE H 6.500 . 6.500 3.764 3.670 3.879 . 0 0 "[ . 1]" 1
1066 1 88 VAL MG2 1 89 ILE H 6.500 . 6.500 3.450 3.234 3.591 . 0 0 "[ . 1]" 1
1067 1 89 ILE H 1 90 ASP H 6.500 . 6.500 4.208 4.091 4.314 . 0 0 "[ . 1]" 1
1068 1 89 ILE HA 1 90 ASP H 5.500 . 5.500 2.169 2.144 2.225 . 0 0 "[ . 1]" 1
1069 1 89 ILE HB 1 90 ASP H 6.500 . 6.500 4.175 4.014 4.279 . 0 0 "[ . 1]" 1
1070 1 89 ILE MD 1 90 ASP H 6.500 . 6.500 5.219 4.939 5.371 . 0 0 "[ . 1]" 1
1071 1 89 ILE HG12 1 90 ASP H 6.500 . 6.500 4.583 4.341 4.691 . 0 0 "[ . 1]" 1
1072 1 89 ILE HG13 1 90 ASP H 6.500 . 6.500 5.137 5.047 5.217 . 0 0 "[ . 1]" 1
1073 1 89 ILE MG 1 90 ASP H 6.500 . 6.500 2.784 2.412 2.977 . 0 0 "[ . 1]" 1
1074 1 89 ILE MG 1 91 ALA HA 6.500 . 6.500 4.192 3.957 4.344 . 0 0 "[ . 1]" 1
1075 1 90 ASP H 1 91 ALA H 6.500 . 6.500 4.428 4.339 4.493 . 0 0 "[ . 1]" 1
1076 1 90 ASP HA 1 91 ALA H 5.500 . 5.500 2.161 2.139 2.183 . 0 0 "[ . 1]" 1
1077 1 90 ASP HB2 1 91 ALA H 6.500 . 6.500 4.311 4.081 4.473 . 0 0 "[ . 1]" 1
1078 1 90 ASP HB3 1 91 ALA H 6.500 . 6.500 4.070 3.767 4.287 . 0 0 "[ . 1]" 1
1079 1 91 ALA H 1 92 MET H 6.500 . 6.500 4.334 4.269 4.452 . 0 0 "[ . 1]" 1
1080 1 91 ALA HA 1 92 MET H 5.500 . 5.500 2.126 2.111 2.152 . 0 0 "[ . 1]" 1
1081 1 91 ALA MB 1 92 MET H 6.500 . 6.500 3.243 3.066 3.297 . 0 0 "[ . 1]" 1
1082 1 92 MET H 1 93 VAL H 6.500 . 6.500 4.534 4.474 4.566 . 0 0 "[ . 1]" 1
1083 1 92 MET H 1 95 GLN HA 6.500 . 6.500 6.118 4.442 6.522 0.022 3 0 "[ . 1]" 1
1084 1 92 MET HA 1 93 VAL H 5.500 . 5.500 2.436 2.276 2.532 . 0 0 "[ . 1]" 1
1085 1 92 MET HB2 1 93 VAL H 6.500 . 6.500 3.675 3.478 4.029 . 0 0 "[ . 1]" 1
1086 1 92 MET HB3 1 93 VAL H 6.500 . 6.500 2.568 2.220 3.914 . 0 0 "[ . 1]" 1
1087 1 92 MET HG2 1 93 VAL H 6.500 . 6.500 4.069 2.425 4.651 . 0 0 "[ . 1]" 1
1088 1 92 MET HG3 1 93 VAL H 6.500 . 6.500 4.376 2.777 5.047 . 0 0 "[ . 1]" 1
1089 1 93 VAL H 1 94 GLN H 6.500 . 6.500 4.288 4.206 4.434 . 0 0 "[ . 1]" 1
1090 1 93 VAL HA 1 94 GLN H 5.000 . 5.000 2.129 2.089 2.198 . 0 0 "[ . 1]" 1
1091 1 93 VAL HB 1 94 GLN H 6.500 . 6.500 4.359 4.253 4.454 . 0 0 "[ . 1]" 1
1092 1 93 VAL MG1 1 94 GLN H 6.500 . 6.500 3.173 2.890 3.376 . 0 0 "[ . 1]" 1
1093 1 93 VAL MG2 1 94 GLN H 6.500 . 6.500 4.191 4.117 4.242 . 0 0 "[ . 1]" 1
1094 1 94 GLN H 1 95 GLN H 6.500 . 6.500 3.989 2.693 4.584 . 0 0 "[ . 1]" 1
1095 1 94 GLN HA 1 95 GLN H 6.500 . 6.500 2.804 2.446 3.504 . 0 0 "[ . 1]" 1
1096 1 94 GLN HA 1 97 GLY H 6.500 . 6.500 5.551 4.437 6.583 0.083 4 0 "[ . 1]" 1
1097 1 94 GLN HB2 1 95 GLN H 6.500 . 6.500 3.322 1.811 4.321 . 0 0 "[ . 1]" 1
1098 1 94 GLN HB2 1 98 GLY H 6.500 . 6.500 4.698 1.823 6.144 . 0 0 "[ . 1]" 1
1099 1 94 GLN HB3 1 95 GLN H 6.500 . 6.500 2.871 1.903 4.597 . 0 0 "[ . 1]" 1
1100 1 94 GLN HB3 1 98 GLY H 6.500 . 6.500 4.743 2.356 6.025 . 0 0 "[ . 1]" 1
1101 1 94 GLN HG2 1 95 GLN H 6.500 . 6.500 4.332 3.615 5.212 . 0 0 "[ . 1]" 1
1102 1 94 GLN HG3 1 95 GLN H 6.500 . 6.500 4.614 4.130 5.082 . 0 0 "[ . 1]" 1
1103 1 95 GLN HA 1 98 GLY H 6.500 . 6.500 5.841 4.306 6.517 0.017 8 0 "[ . 1]" 1
1104 1 95 GLN HB2 1 96 THR H 6.500 . 6.500 4.254 3.663 4.601 . 0 0 "[ . 1]" 1
1105 1 95 GLN HB3 1 96 THR H 6.500 . 6.500 4.140 2.645 4.623 . 0 0 "[ . 1]" 1
1106 1 95 GLN HG2 1 96 THR H 6.500 . 6.500 4.293 2.794 5.622 . 0 0 "[ . 1]" 1
1107 1 95 GLN HG3 1 96 THR H 6.500 . 6.500 4.233 2.234 5.114 . 0 0 "[ . 1]" 1
1108 1 96 THR H 1 97 GLY H 6.500 . 6.500 2.881 1.829 4.182 . 0 0 "[ . 1]" 1
1109 1 96 THR HB 1 97 GLY H 6.500 . 6.500 3.598 2.559 4.421 . 0 0 "[ . 1]" 1
1110 1 96 THR MG 1 97 GLY H 6.500 . 6.500 3.812 2.925 4.345 . 0 0 "[ . 1]" 1
1111 1 97 GLY H 1 98 GLY H 6.500 . 6.500 2.731 1.822 3.397 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, June 13, 2024 3:38:29 AM GMT (wattos1)