NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
481463 |
1cqg   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cqg
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 2257
_Distance_constraint_stats_list.Viol_count 6032
_Distance_constraint_stats_list.Viol_total 22787.393
_Distance_constraint_stats_list.Viol_max 0.418
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.1079
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 2 VAL 0.513 0.101 32 0 "[ . 1 . 2 . 3 .]"
1 3 LYS 11.906 0.231 24 0 "[ . 1 . 2 . 3 .]"
1 4 GLN 4.522 0.140 31 0 "[ . 1 . 2 . 3 .]"
1 5 ILE 21.669 0.235 5 0 "[ . 1 . 2 . 3 .]"
1 6 GLU 10.094 0.322 6 0 "[ . 1 . 2 . 3 .]"
1 7 SER 14.380 0.265 23 0 "[ . 1 . 2 . 3 .]"
1 8 LYS 13.513 0.268 1 0 "[ . 1 . 2 . 3 .]"
1 9 THR 15.210 0.265 23 0 "[ . 1 . 2 . 3 .]"
1 10 ALA 17.179 0.295 11 0 "[ . 1 . 2 . 3 .]"
1 11 PHE 12.478 0.235 5 0 "[ . 1 . 2 . 3 .]"
1 12 GLN 26.933 0.295 11 0 "[ . 1 . 2 . 3 .]"
1 13 GLU 14.180 0.271 8 0 "[ . 1 . 2 . 3 .]"
1 14 ALA 1.175 0.211 24 0 "[ . 1 . 2 . 3 .]"
1 15 LEU 12.322 0.174 26 0 "[ . 1 . 2 . 3 .]"
1 16 ASP 14.737 0.254 21 0 "[ . 1 . 2 . 3 .]"
1 17 ALA 1.461 0.059 17 0 "[ . 1 . 2 . 3 .]"
1 18 ALA 2.098 0.105 10 0 "[ . 1 . 2 . 3 .]"
1 19 GLY 0.017 0.010 34 0 "[ . 1 . 2 . 3 .]"
1 20 ASP 6.232 0.173 19 0 "[ . 1 . 2 . 3 .]"
1 21 LYS 4.110 0.161 14 0 "[ . 1 . 2 . 3 .]"
1 22 LEU 37.428 0.261 29 0 "[ . 1 . 2 . 3 .]"
1 23 VAL 20.525 0.282 4 0 "[ . 1 . 2 . 3 .]"
1 24 VAL 9.067 0.282 4 0 "[ . 1 . 2 . 3 .]"
1 25 VAL 0.690 0.090 11 0 "[ . 1 . 2 . 3 .]"
1 26 ASP 14.319 0.219 13 0 "[ . 1 . 2 . 3 .]"
1 27 PHE 11.415 0.287 29 0 "[ . 1 . 2 . 3 .]"
1 28 SER 15.026 0.340 26 0 "[ . 1 . 2 . 3 .]"
1 29 ALA 3.087 0.109 16 0 "[ . 1 . 2 . 3 .]"
1 30 THR 7.906 0.207 20 0 "[ . 1 . 2 . 3 .]"
1 31 TRP 17.365 0.337 6 0 "[ . 1 . 2 . 3 .]"
1 32 CYS 10.998 0.337 6 0 "[ . 1 . 2 . 3 .]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 34 PRO 2.785 0.141 6 0 "[ . 1 . 2 . 3 .]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 36 LYS 2.728 0.282 5 0 "[ . 1 . 2 . 3 .]"
1 37 MET 1.466 0.129 25 0 "[ . 1 . 2 . 3 .]"
1 38 ILE 6.891 0.269 13 0 "[ . 1 . 2 . 3 .]"
1 39 LYS 14.344 0.292 18 0 "[ . 1 . 2 . 3 .]"
1 40 PRO 14.683 0.234 21 0 "[ . 1 . 2 . 3 .]"
1 41 PHE 23.856 0.396 18 0 "[ . 1 . 2 . 3 .]"
1 42 PHE 6.809 0.269 16 0 "[ . 1 . 2 . 3 .]"
1 43 HIS 14.134 0.292 18 0 "[ . 1 . 2 . 3 .]"
1 44 SER 6.637 0.224 35 0 "[ . 1 . 2 . 3 .]"
1 45 LEU 9.569 0.323 12 0 "[ . 1 . 2 . 3 .]"
1 46 SER 3.253 0.123 3 0 "[ . 1 . 2 . 3 .]"
1 47 GLU 10.421 0.300 25 0 "[ . 1 . 2 . 3 .]"
1 48 LYS 11.379 0.319 16 0 "[ . 1 . 2 . 3 .]"
1 49 TYR 15.214 0.323 12 0 "[ . 1 . 2 . 3 .]"
1 50 SER 12.511 0.300 25 0 "[ . 1 . 2 . 3 .]"
1 51 ASN 9.534 0.342 9 0 "[ . 1 . 2 . 3 .]"
1 52 VAL 8.869 0.342 9 0 "[ . 1 . 2 . 3 .]"
1 53 ILE 8.401 0.246 32 0 "[ . 1 . 2 . 3 .]"
1 54 PHE 13.746 0.227 10 0 "[ . 1 . 2 . 3 .]"
1 55 LEU 11.704 0.221 13 0 "[ . 1 . 2 . 3 .]"
1 56 GLU 3.600 0.132 32 0 "[ . 1 . 2 . 3 .]"
1 57 VAL 6.534 0.221 13 0 "[ . 1 . 2 . 3 .]"
1 58 ASP 32.952 0.287 29 0 "[ . 1 . 2 . 3 .]"
1 59 VAL 22.712 0.340 26 0 "[ . 1 . 2 . 3 .]"
1 60 ASP 29.380 0.300 28 0 "[ . 1 . 2 . 3 .]"
1 61 ASP 5.966 0.194 11 0 "[ . 1 . 2 . 3 .]"
1 62 ALA 0.689 0.064 30 0 "[ . 1 . 2 . 3 .]"
1 63 GLN 15.342 0.263 34 0 "[ . 1 . 2 . 3 .]"
1 64 ASP 22.355 0.217 24 0 "[ . 1 . 2 . 3 .]"
1 65 VAL 14.266 0.253 28 0 "[ . 1 . 2 . 3 .]"
1 66 ALA 3.682 0.182 14 0 "[ . 1 . 2 . 3 .]"
1 67 SER 5.260 0.189 19 0 "[ . 1 . 2 . 3 .]"
1 68 GLU 2.662 0.129 10 0 "[ . 1 . 2 . 3 .]"
1 69 ALA 4.578 0.134 33 0 "[ . 1 . 2 . 3 .]"
1 70 GLU 10.554 0.416 7 0 "[ . 1 . 2 . 3 .]"
1 71 VAL 17.942 0.363 24 0 "[ . 1 . 2 . 3 .]"
1 72 LYS 12.400 0.416 7 0 "[ . 1 . 2 . 3 .]"
1 73 ALA 6.188 0.151 27 0 "[ . 1 . 2 . 3 .]"
1 74 THR 3.693 0.173 14 0 "[ . 1 . 2 . 3 .]"
1 75 PRO 6.066 0.269 13 0 "[ . 1 . 2 . 3 .]"
1 76 THR 8.314 0.273 18 0 "[ . 1 . 2 . 3 .]"
1 77 PHE 19.364 0.248 28 0 "[ . 1 . 2 . 3 .]"
1 78 GLN 18.542 0.271 31 0 "[ . 1 . 2 . 3 .]"
1 79 PHE 20.254 0.270 22 0 "[ . 1 . 2 . 3 .]"
1 80 PHE 11.127 0.254 31 0 "[ . 1 . 2 . 3 .]"
1 81 LYS 9.235 0.299 11 0 "[ . 1 . 2 . 3 .]"
1 82 LYS 11.856 0.223 34 0 "[ . 1 . 2 . 3 .]"
1 83 GLY 7.814 0.285 17 0 "[ . 1 . 2 . 3 .]"
1 84 GLN 20.338 0.299 11 0 "[ . 1 . 2 . 3 .]"
1 85 LYS 11.582 0.227 25 0 "[ . 1 . 2 . 3 .]"
1 86 VAL 0.798 0.096 1 0 "[ . 1 . 2 . 3 .]"
1 87 GLY 6.467 0.271 31 0 "[ . 1 . 2 . 3 .]"
1 88 GLU 8.100 0.273 18 0 "[ . 1 . 2 . 3 .]"
1 89 PHE 22.161 0.317 8 0 "[ . 1 . 2 . 3 .]"
1 90 SER 12.569 0.239 31 0 "[ . 1 . 2 . 3 .]"
1 91 GLY 19.488 0.248 28 0 "[ . 1 . 2 . 3 .]"
1 92 ALA 3.311 0.155 21 0 "[ . 1 . 2 . 3 .]"
1 93 ASN 14.878 0.260 20 0 "[ . 1 . 2 . 3 .]"
1 94 LYS 28.993 0.396 18 0 "[ . 1 . 2 . 3 .]"
1 95 GLU 6.996 0.202 5 0 "[ . 1 . 2 . 3 .]"
1 96 LYS 22.282 0.386 23 0 "[ . 1 . 2 . 3 .]"
1 97 LEU 11.320 0.176 31 0 "[ . 1 . 2 . 3 .]"
1 98 GLU 20.773 0.386 23 0 "[ . 1 . 2 . 3 .]"
1 99 ALA 14.678 0.337 10 0 "[ . 1 . 2 . 3 .]"
1 100 THR 0.098 0.030 10 0 "[ . 1 . 2 . 3 .]"
1 101 ILE 27.874 0.309 19 0 "[ . 1 . 2 . 3 .]"
1 102 ASN 6.381 0.337 10 0 "[ . 1 . 2 . 3 .]"
1 103 GLU 10.286 0.309 19 0 "[ . 1 . 2 . 3 .]"
1 104 LEU 5.540 0.145 26 0 "[ . 1 . 2 . 3 .]"
1 105 VAL 14.230 0.223 28 0 "[ . 1 . 2 . 3 .]"
2 1 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
2 2 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
2 3 THR 0.099 0.099 31 0 "[ . 1 . 2 . 3 .]"
2 4 LEU 0.091 0.017 9 0 "[ . 1 . 2 . 3 .]"
2 5 LYS 0.585 0.099 31 0 "[ . 1 . 2 . 3 .]"
2 6 ILE 16.805 0.229 30 0 "[ . 1 . 2 . 3 .]"
2 7 CYS 8.085 0.155 32 0 "[ . 1 . 2 . 3 .]"
2 8 SER 5.005 0.151 27 0 "[ . 1 . 2 . 3 .]"
2 9 TRP 24.049 0.418 29 0 "[ . 1 . 2 . 3 .]"
2 10 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
2 11 VAL 10.371 0.418 29 0 "[ . 1 . 2 . 3 .]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 VAL MG2 1 3 LYS H 4.000 . 5.500 3.829 3.646 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
2 1 2 VAL HB 1 3 LYS H 4.000 . 5.000 3.991 3.713 4.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
3 1 2 VAL HA 1 3 LYS H 2.500 . 2.900 2.315 2.227 2.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
4 1 2 VAL MG1 1 3 LYS H 2.500 . 3.400 2.200 1.785 2.645 0.015 23 0 "[ . 1 . 2 . 3 .]" 1
5 1 2 VAL MG2 1 46 SER H 4.000 . 5.500 4.102 3.910 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
6 1 2 VAL MG1 1 56 GLU H 3.000 . 4.200 3.604 2.969 4.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
7 1 3 LYS H 1 3 LYS QB 2.500 . 2.900 2.550 2.521 2.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
8 1 3 LYS H 1 3 LYS HA 3.000 . 3.500 3.001 2.996 3.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
9 1 3 LYS QB 1 4 GLN H 4.000 . 5.000 3.793 3.732 3.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
10 1 3 LYS HB3 1 4 GLN H 4.000 . 5.000 4.180 4.114 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
11 1 3 LYS H 1 4 GLN H 4.000 . 5.000 4.314 4.266 4.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
12 1 3 LYS H 1 4 GLN HA 4.000 . 5.000 4.718 4.679 4.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
13 1 3 LYS QG 1 4 GLN H 4.000 . 5.000 2.725 2.630 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
14 1 3 LYS HA 1 4 GLN H 2.500 . 2.900 2.208 2.171 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
15 1 3 LYS HB3 1 5 ILE H 4.000 . 5.500 5.479 5.364 5.625 0.125 33 0 "[ . 1 . 2 . 3 .]" 1
16 1 3 LYS QG 1 5 ILE H 4.000 . 5.000 4.423 4.290 4.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
17 1 3 LYS H 1 5 ILE H 4.000 . 6.000 6.143 6.066 6.227 0.227 33 0 "[ . 1 . 2 . 3 .]" 1
18 1 3 LYS H 1 55 LEU HA 3.000 . 3.500 2.841 2.565 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
19 1 3 LYS HB3 1 56 GLU H 4.000 . 5.000 4.400 4.068 4.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
20 1 3 LYS H 1 56 GLU H 4.000 . 5.000 3.809 3.480 4.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
21 1 3 LYS H 1 56 GLU QB 4.000 . 5.000 4.592 4.276 4.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
22 1 4 GLN HA 1 4 GLN QE 4.000 . 5.000 4.651 4.465 4.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
23 1 4 GLN H 1 5 ILE QG 4.000 . 5.000 4.968 4.870 5.064 0.064 32 0 "[ . 1 . 2 . 3 .]" 1
24 1 4 GLN QG 1 5 ILE H 4.000 . 5.000 2.847 2.775 2.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
25 1 4 GLN HA 1 5 ILE H 2.500 . 2.900 2.183 2.162 2.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
26 1 4 GLN QG 1 6 GLU H 4.000 . 5.000 3.979 3.905 4.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
27 1 4 GLN QE 1 30 THR MG 4.000 . 5.000 5.031 4.882 5.140 0.140 31 0 "[ . 1 . 2 . 3 .]" 1
28 1 4 GLN H 1 56 GLU H 4.000 . 5.000 4.934 4.724 5.083 0.083 34 0 "[ . 1 . 2 . 3 .]" 1
29 1 4 GLN HA 1 56 GLU H 3.000 . 3.500 2.830 2.650 3.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
30 1 4 GLN QE 1 58 ASP HB3 4.000 . 5.000 4.836 4.419 5.023 0.023 34 0 "[ . 1 . 2 . 3 .]" 1
31 1 4 GLN QE 1 58 ASP H 4.000 . 5.000 4.844 4.509 5.016 0.016 9 0 "[ . 1 . 2 . 3 .]" 1
32 1 4 GLN QG 1 58 ASP H 4.000 . 5.000 4.593 4.426 4.748 . 0 0 "[ . 1 . 2 . 3 .]" 1
33 1 5 ILE H 1 5 ILE MG 4.000 . 5.500 3.820 3.799 3.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
34 1 5 ILE H 1 5 ILE MD 4.000 . 5.500 3.172 3.075 3.347 . 0 0 "[ . 1 . 2 . 3 .]" 1
35 1 5 ILE H 1 5 ILE HB 2.500 . 2.900 2.591 2.523 2.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
36 1 5 ILE H 1 5 ILE QG 4.000 . 5.000 2.297 2.213 2.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
37 1 5 ILE MD 1 6 GLU H 4.000 . 5.000 3.903 3.827 4.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
38 1 5 ILE HA 1 6 GLU H 2.500 . 2.900 2.220 2.192 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
39 1 5 ILE MG 1 6 GLU H 3.000 . 4.300 3.052 2.827 3.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
40 1 5 ILE H 1 6 GLU H 4.000 . 5.000 4.340 4.306 4.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
41 1 5 ILE HB 1 7 SER H 4.000 . 5.000 4.157 4.093 4.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
42 1 5 ILE H 1 7 SER H 4.000 . 5.300 5.458 5.411 5.497 0.197 2 0 "[ . 1 . 2 . 3 .]" 1
43 1 5 ILE MG 1 7 SER H 2.500 . 3.400 2.120 1.874 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
44 1 5 ILE HA 1 7 SER H 3.000 . 3.500 3.397 3.295 3.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
45 1 5 ILE MD 1 11 PHE H 4.000 . 5.500 4.018 3.532 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
46 1 5 ILE MG 1 11 PHE H 2.500 . 3.400 2.549 2.384 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
47 1 5 ILE MG 1 12 GLN H 4.000 . 5.500 4.457 4.361 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
48 1 5 ILE MD 1 14 ALA H 4.000 . 5.500 3.974 3.681 4.111 . 0 0 "[ . 1 . 2 . 3 .]" 1
49 1 5 ILE QG 1 56 GLU H 4.000 . 5.000 3.511 3.247 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
50 1 5 ILE H 1 56 GLU H 4.000 . 5.000 3.497 3.282 3.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
51 1 5 ILE H 1 57 VAL HA 4.000 . 5.000 3.514 3.383 3.638 . 0 0 "[ . 1 . 2 . 3 .]" 1
52 1 5 ILE H 1 57 VAL MG2 4.000 . 5.500 3.423 3.233 3.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
53 1 5 ILE H 1 58 ASP H 4.000 . 5.000 5.066 4.938 5.145 0.145 29 0 "[ . 1 . 2 . 3 .]" 1
54 1 6 GLU H 1 6 GLU QG 2.500 . 2.900 2.768 2.417 3.222 0.322 6 0 "[ . 1 . 2 . 3 .]" 1
55 1 6 GLU H 1 6 GLU HB2 2.500 . 2.900 2.509 2.480 2.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
56 1 6 GLU H 1 6 GLU HA 3.000 . 3.500 2.976 2.961 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
57 1 6 GLU HB2 1 7 SER H 3.000 . 3.500 3.516 3.443 3.564 0.064 30 0 "[ . 1 . 2 . 3 .]" 1
58 1 6 GLU H 1 7 SER HB3 4.000 . 5.000 4.839 4.764 4.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
59 1 6 GLU QG 1 7 SER H 4.000 . 5.000 4.454 4.240 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
60 1 6 GLU HA 1 7 SER H 3.000 . 3.500 3.329 3.305 3.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
61 1 6 GLU HB3 1 7 SER H 4.000 . 5.000 4.305 4.261 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
62 1 6 GLU H 1 7 SER H 2.500 . 2.900 2.335 2.240 2.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
63 1 6 GLU H 1 10 ALA MB 3.000 . 3.500 3.257 3.047 3.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
64 1 7 SER H 1 7 SER HB2 4.000 . 5.000 3.969 3.933 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
65 1 7 SER H 1 7 SER HA 3.000 . 3.500 2.957 2.944 2.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
66 1 7 SER H 1 8 LYS H 4.000 . 5.000 4.416 4.383 4.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
67 1 7 SER HA 1 8 LYS H 4.000 . 5.000 2.327 2.273 2.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
68 1 7 SER H 1 9 THR H 4.000 . 5.000 5.037 4.978 5.090 0.090 34 0 "[ . 1 . 2 . 3 .]" 1
69 1 7 SER H 1 10 ALA MB 2.500 . 3.400 2.781 2.558 2.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
70 1 7 SER H 1 10 ALA H 4.000 . 5.000 3.910 3.753 4.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
71 1 7 SER H 1 11 PHE H 4.000 . 5.000 4.220 4.123 4.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
72 1 7 SER H 1 65 VAL MG2 3.000 . 4.200 3.638 3.317 4.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
73 1 8 LYS H 1 8 LYS QG 4.000 . 5.000 3.965 3.945 3.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
74 1 8 LYS QG 1 9 THR H 4.000 . 5.000 3.963 3.895 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
75 1 8 LYS H 1 9 THR H 3.000 . 3.500 2.544 2.459 2.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
76 1 8 LYS H 1 10 ALA H 4.000 . 5.000 4.398 4.288 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
77 1 8 LYS QB 1 11 PHE H 4.000 . 5.000 4.678 4.626 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
78 1 8 LYS QG 1 11 PHE H 4.000 . 5.000 4.276 4.157 4.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
79 1 8 LYS HA 1 11 PHE H 3.000 . 3.500 3.052 2.989 3.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
80 1 8 LYS HA 1 12 GLN H 4.000 . 5.000 4.115 4.012 4.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
81 1 8 LYS H 1 64 ASP HB3 4.000 . 5.000 4.251 4.084 4.433 . 0 0 "[ . 1 . 2 . 3 .]" 1
82 1 8 LYS QG 1 65 VAL H 4.000 . 5.000 5.129 4.958 5.253 0.253 28 0 "[ . 1 . 2 . 3 .]" 1
83 1 8 LYS H 1 65 VAL H 4.000 . 5.000 4.267 4.055 4.496 . 0 0 "[ . 1 . 2 . 3 .]" 1
84 1 8 LYS H 1 65 VAL MG2 3.000 . 3.500 2.848 2.582 3.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
85 1 9 THR HB 1 10 ALA H 2.500 . 2.900 2.398 2.331 2.497 . 0 0 "[ . 1 . 2 . 3 .]" 1
86 1 9 THR MG 1 10 ALA H 4.000 . 5.500 3.413 3.281 3.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
87 1 9 THR HA 1 10 ALA H 3.000 . 3.500 3.558 3.545 3.569 0.069 22 0 "[ . 1 . 2 . 3 .]" 1
88 1 9 THR H 1 10 ALA H 3.000 . 3.500 2.803 2.729 2.892 . 0 0 "[ . 1 . 2 . 3 .]" 1
89 1 9 THR MG 1 11 PHE H 4.000 . 5.700 4.922 4.830 5.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
90 1 9 THR HA 1 11 PHE H 4.000 . 5.000 4.241 4.182 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
91 1 9 THR HA 1 12 GLN H 3.000 . 3.800 3.700 3.615 3.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
92 1 9 THR H 1 64 ASP HB2 4.000 . 5.200 5.334 5.230 5.417 0.217 24 0 "[ . 1 . 2 . 3 .]" 1
93 1 10 ALA H 1 10 ALA HA 2.500 . 2.900 2.889 2.881 2.901 0.001 28 0 "[ . 1 . 2 . 3 .]" 1
94 1 10 ALA H 1 10 ALA MB 2.500 . 3.400 2.199 2.158 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
95 1 10 ALA MB 1 11 PHE H 2.500 . 3.400 2.788 2.726 2.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
96 1 10 ALA H 1 11 PHE H 3.000 . 3.500 2.532 2.483 2.565 . 0 0 "[ . 1 . 2 . 3 .]" 1
97 1 10 ALA H 1 12 GLN H 4.000 . 5.000 4.326 4.264 4.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
98 1 10 ALA H 1 13 GLU QG 4.000 . 6.000 5.025 4.601 5.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
99 1 10 ALA HA 1 13 GLU H 3.000 . 3.700 3.187 3.110 3.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
100 1 10 ALA HA 1 14 ALA H 4.000 . 5.000 3.895 3.800 3.972 . 0 0 "[ . 1 . 2 . 3 .]" 1
101 1 11 PHE H 1 11 PHE QD 4.000 . 5.000 4.144 4.121 4.176 . 0 0 "[ . 1 . 2 . 3 .]" 1
102 1 11 PHE H 1 11 PHE HA 2.500 . 2.900 2.848 2.833 2.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
103 1 11 PHE H 1 11 PHE HB2 2.500 . 2.900 2.410 2.380 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
104 1 11 PHE H 1 11 PHE HB3 2.500 . 2.900 2.680 2.656 2.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
105 1 11 PHE QD 1 12 GLN H 4.000 . 5.000 3.792 3.721 3.874 . 0 0 "[ . 1 . 2 . 3 .]" 1
106 1 11 PHE H 1 12 GLN H 2.500 . 3.100 2.719 2.682 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
107 1 11 PHE HB2 1 12 GLN H 3.000 . 3.500 3.669 3.628 3.713 0.213 4 0 "[ . 1 . 2 . 3 .]" 1
108 1 11 PHE HA 1 12 GLN H 4.000 . 5.000 3.548 3.533 3.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
109 1 11 PHE HB3 1 12 GLN H 2.500 . 2.900 2.410 2.364 2.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
110 1 11 PHE QD 1 14 ALA H 4.000 . 5.500 5.339 5.233 5.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
111 1 11 PHE H 1 14 ALA H 4.000 . 5.000 4.627 4.554 4.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
112 1 11 PHE H 1 65 VAL MG2 4.000 . 5.500 4.047 3.784 4.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
113 1 12 GLN QB 1 12 GLN QE 3.000 . 3.500 2.883 1.878 3.722 0.222 24 0 "[ . 1 . 2 . 3 .]" 1
114 1 12 GLN H 1 12 GLN QE 4.000 . 5.500 4.081 3.248 4.799 . 0 0 "[ . 1 . 2 . 3 .]" 1
115 1 12 GLN QE 1 12 GLN QG 2.500 . 3.100 2.356 2.172 2.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
116 1 12 GLN H 1 12 GLN QG 3.000 . 3.500 2.062 1.927 2.126 . 0 0 "[ . 1 . 2 . 3 .]" 1
117 1 12 GLN HA 1 12 GLN QE 4.000 . 5.500 3.116 2.701 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
118 1 12 GLN H 1 12 GLN QB 2.500 . 3.300 2.441 2.396 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
119 1 12 GLN H 1 12 GLN HA 2.500 . 2.900 2.874 2.863 2.885 . 0 0 "[ . 1 . 2 . 3 .]" 1
120 1 12 GLN QE 1 13 GLU H 4.000 . 6.000 5.420 5.030 5.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
121 1 12 GLN H 1 13 GLU H 2.500 . 2.900 2.632 2.582 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
122 1 12 GLN HA 1 13 GLU H 4.000 . 5.000 3.549 3.534 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
123 1 12 GLN H 1 14 ALA H 4.000 . 5.000 4.067 3.977 4.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
124 1 12 GLN H 1 14 ALA MB 4.000 . 5.700 4.861 4.751 4.971 . 0 0 "[ . 1 . 2 . 3 .]" 1
125 1 12 GLN HA 1 14 ALA H 4.000 . 5.000 4.407 4.321 4.515 . 0 0 "[ . 1 . 2 . 3 .]" 1
126 1 12 GLN HA 1 15 LEU H 4.000 . 5.000 3.582 3.521 3.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
127 1 12 GLN HA 1 16 ASP H 4.000 . 5.000 4.333 4.223 4.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
128 1 13 GLU QG 1 14 ALA H 4.000 . 5.000 4.215 4.028 4.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
129 1 13 GLU HB3 1 14 ALA H 3.000 . 3.800 3.605 3.409 3.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
130 1 13 GLU HB2 1 14 ALA H 3.000 . 3.500 2.709 2.606 2.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
131 1 13 GLU H 1 14 ALA H 2.500 . 2.900 2.670 2.624 2.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
132 1 13 GLU H 1 15 LEU H 4.000 . 5.000 4.224 4.176 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
133 1 13 GLU HA 1 16 ASP H 3.000 . 3.500 3.458 3.380 3.530 0.030 7 0 "[ . 1 . 2 . 3 .]" 1
134 1 14 ALA H 1 14 ALA MB 2.500 . 3.400 2.235 2.198 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
135 1 14 ALA H 1 14 ALA HA 2.500 . 2.900 2.873 2.860 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
136 1 14 ALA H 1 15 LEU HB2 4.000 . 5.000 4.706 4.581 4.802 . 0 0 "[ . 1 . 2 . 3 .]" 1
137 1 14 ALA H 1 15 LEU H 4.000 . 5.000 2.638 2.572 2.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
138 1 14 ALA MB 1 15 LEU H 3.000 . 4.000 2.497 2.421 2.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
139 1 14 ALA HA 1 15 LEU H 4.000 . 5.000 3.557 3.534 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
140 1 14 ALA MB 1 16 ASP H 4.000 . 5.500 4.459 4.405 4.498 . 0 0 "[ . 1 . 2 . 3 .]" 1
141 1 14 ALA H 1 16 ASP H 4.000 . 5.000 4.057 3.966 4.130 . 0 0 "[ . 1 . 2 . 3 .]" 1
142 1 14 ALA H 1 17 ALA H 4.000 . 5.000 4.603 4.526 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
143 1 14 ALA HA 1 17 ALA H 3.000 . 3.500 3.214 3.123 3.327 . 0 0 "[ . 1 . 2 . 3 .]" 1
144 1 14 ALA HA 1 18 ALA H 4.000 . 5.000 4.034 3.829 4.241 . 0 0 "[ . 1 . 2 . 3 .]" 1
145 1 15 LEU H 1 15 LEU HG 2.500 . 2.900 2.261 2.182 2.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
146 1 15 LEU H 1 15 LEU HB3 4.000 . 5.000 3.598 3.576 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
147 1 15 LEU H 1 15 LEU MD2 4.000 . 5.500 3.597 3.498 3.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
148 1 15 LEU H 1 15 LEU MD1 4.000 . 5.500 3.389 3.274 3.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
149 1 15 LEU H 1 15 LEU HB2 3.000 . 3.500 2.415 2.373 2.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
150 1 15 LEU HG 1 16 ASP H 3.000 . 4.500 4.347 4.299 4.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
151 1 15 LEU HA 1 16 ASP H 4.000 . 5.000 3.540 3.520 3.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
152 1 15 LEU MD1 1 16 ASP H 4.000 . 5.500 4.449 4.390 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
153 1 15 LEU MD2 1 16 ASP H 4.000 . 5.500 4.731 4.671 4.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
154 1 15 LEU H 1 16 ASP HA 4.000 . 5.200 5.313 5.288 5.342 0.142 21 0 "[ . 1 . 2 . 3 .]" 1
155 1 15 LEU HB3 1 16 ASP H 3.000 . 3.700 3.559 3.479 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
156 1 15 LEU HB2 1 16 ASP H 2.500 . 2.900 2.595 2.529 2.633 . 0 0 "[ . 1 . 2 . 3 .]" 1
157 1 15 LEU H 1 16 ASP H 2.500 . 2.900 2.660 2.616 2.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
158 1 15 LEU H 1 17 ALA H 4.000 . 5.000 4.053 3.977 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
159 1 15 LEU HB2 1 17 ALA H 4.000 . 5.000 4.960 4.906 5.015 0.015 19 0 "[ . 1 . 2 . 3 .]" 1
160 1 15 LEU H 1 18 ALA H 4.000 . 5.000 4.845 4.651 4.948 . 0 0 "[ . 1 . 2 . 3 .]" 1
161 1 15 LEU MD2 1 18 ALA H 4.000 . 6.200 5.173 5.034 5.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
162 1 15 LEU HA 1 18 ALA H 4.000 . 5.000 3.620 3.474 3.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
163 1 15 LEU MD2 1 83 GLY H 4.000 . 5.500 3.341 3.084 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
164 1 15 LEU MD1 1 83 GLY H 4.000 . 5.500 4.725 4.488 5.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
165 1 15 LEU HB3 1 83 GLY H 4.000 . 5.000 3.653 3.508 3.840 . 0 0 "[ . 1 . 2 . 3 .]" 1
166 1 15 LEU HB3 1 84 GLN H 4.000 . 5.200 5.256 5.188 5.366 0.166 33 0 "[ . 1 . 2 . 3 .]" 1
167 1 16 ASP H 1 16 ASP QB 2.500 . 2.900 2.275 2.250 2.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
168 1 16 ASP H 1 16 ASP HA 2.500 . 2.900 2.875 2.865 2.883 . 0 0 "[ . 1 . 2 . 3 .]" 1
169 1 16 ASP H 1 17 ALA MB 4.000 . 5.200 4.297 4.221 4.351 . 0 0 "[ . 1 . 2 . 3 .]" 1
170 1 16 ASP QB 1 17 ALA H 2.500 . 3.100 2.661 2.556 2.734 . 0 0 "[ . 1 . 2 . 3 .]" 1
171 1 16 ASP HA 1 17 ALA H 4.000 . 5.000 3.535 3.515 3.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
172 1 16 ASP H 1 17 ALA H 2.500 . 2.900 2.594 2.539 2.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
173 1 16 ASP QB 1 18 ALA H 4.000 . 5.000 4.801 4.667 4.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
174 1 16 ASP HA 1 18 ALA H 4.000 . 5.000 4.402 4.321 4.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
175 1 16 ASP H 1 18 ALA H 4.000 . 5.000 4.190 4.014 4.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
176 1 16 ASP HA 1 19 GLY H 4.000 . 5.000 3.586 3.439 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
177 1 17 ALA H 1 17 ALA HA 2.500 . 2.900 2.876 2.863 2.901 0.001 22 0 "[ . 1 . 2 . 3 .]" 1
178 1 17 ALA H 1 17 ALA MB 2.500 . 3.400 2.243 2.211 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
179 1 17 ALA HA 1 18 ALA H 3.000 . 3.500 3.541 3.523 3.559 0.059 17 0 "[ . 1 . 2 . 3 .]" 1
180 1 17 ALA H 1 18 ALA H 2.500 . 2.900 2.637 2.574 2.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
181 1 17 ALA HA 1 19 GLY H 4.000 . 5.000 4.074 3.823 4.219 . 0 0 "[ . 1 . 2 . 3 .]" 1
182 1 17 ALA H 1 19 GLY H 4.000 . 5.000 4.100 3.995 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
183 1 18 ALA H 1 18 ALA HA 2.500 . 2.900 2.855 2.842 2.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
184 1 18 ALA H 1 18 ALA MB 2.500 . 3.400 2.229 2.178 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
185 1 18 ALA MB 1 19 GLY H 2.500 . 3.400 2.697 2.578 2.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
186 1 18 ALA H 1 19 GLY H 2.500 . 2.900 2.659 2.589 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
187 1 18 ALA MB 1 20 ASP H 4.000 . 5.500 5.028 4.958 5.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
188 1 18 ALA MB 1 21 LYS H 3.000 . 4.400 3.519 3.412 3.796 . 0 0 "[ . 1 . 2 . 3 .]" 1
189 1 18 ALA H 1 23 VAL MG2 4.000 . 5.500 4.038 3.893 4.240 . 0 0 "[ . 1 . 2 . 3 .]" 1
190 1 18 ALA H 1 53 ILE MG 4.000 . 5.500 4.694 4.505 4.924 . 0 0 "[ . 1 . 2 . 3 .]" 1
191 1 19 GLY H 1 19 GLY HA3 2.500 . 2.900 2.878 2.870 2.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
192 1 19 GLY H 1 19 GLY HA2 2.500 . 2.900 2.347 2.334 2.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
193 1 19 GLY HA2 1 20 ASP H 2.500 . 3.400 3.236 3.069 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
194 1 19 GLY HA3 1 20 ASP H 2.500 . 2.900 2.195 2.167 2.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
195 1 19 GLY H 1 20 ASP H 4.000 . 5.000 4.572 4.540 4.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
196 1 19 GLY HA3 1 21 LYS H 3.000 . 3.500 3.458 3.323 3.510 0.010 34 0 "[ . 1 . 2 . 3 .]" 1
197 1 19 GLY HA2 1 21 LYS H 4.000 . 5.000 4.438 4.370 4.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
198 1 19 GLY H 1 21 LYS H 4.000 . 5.000 4.524 4.443 4.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
199 1 19 GLY H 1 23 VAL MG2 4.000 . 5.300 4.528 4.420 4.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
200 1 20 ASP H 1 20 ASP QB 2.500 . 3.100 2.440 2.407 2.474 . 0 0 "[ . 1 . 2 . 3 .]" 1
201 1 20 ASP H 1 20 ASP HA 2.500 . 2.900 2.956 2.949 2.961 0.061 20 0 "[ . 1 . 2 . 3 .]" 1
202 1 20 ASP H 1 21 LYS HB2 4.000 . 5.000 4.742 4.654 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
203 1 20 ASP QB 1 21 LYS H 4.000 . 5.000 3.438 3.358 3.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
204 1 20 ASP HA 1 21 LYS H 3.000 . 3.500 3.282 3.237 3.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
205 1 20 ASP H 1 21 LYS HA 4.000 . 5.000 4.896 4.853 4.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
206 1 20 ASP H 1 21 LYS H 2.500 . 2.900 2.515 2.449 2.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
207 1 20 ASP H 1 82 LYS QG 4.000 . 5.000 4.557 4.342 4.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
208 1 21 LYS H 1 21 LYS HB2 2.500 . 2.900 2.423 2.370 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
209 1 21 LYS H 1 21 LYS HB3 4.000 . 5.000 3.621 3.598 3.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
210 1 21 LYS H 1 21 LYS QD 3.000 . 4.300 4.105 3.670 4.355 0.055 32 0 "[ . 1 . 2 . 3 .]" 1
211 1 21 LYS H 1 21 LYS HA 2.500 . 2.900 2.913 2.903 2.920 0.020 18 0 "[ . 1 . 2 . 3 .]" 1
212 1 21 LYS H 1 22 LEU H 4.000 . 5.000 4.682 4.666 4.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
213 1 21 LYS HA 1 22 LEU H 2.500 . 2.900 2.332 2.311 2.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
214 1 21 LYS H 1 23 VAL MG2 4.000 . 5.000 4.432 4.345 4.619 . 0 0 "[ . 1 . 2 . 3 .]" 1
215 1 21 LYS HB3 1 53 ILE H 4.000 . 5.000 3.626 3.392 3.901 . 0 0 "[ . 1 . 2 . 3 .]" 1
216 1 21 LYS H 1 53 ILE QG 4.000 . 5.000 4.855 4.690 5.040 0.040 8 0 "[ . 1 . 2 . 3 .]" 1
217 1 22 LEU H 1 22 LEU MD1 4.000 . 5.000 4.170 3.719 4.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
218 1 22 LEU H 1 22 LEU HG 3.000 . 3.800 3.833 2.830 3.981 0.181 4 0 "[ . 1 . 2 . 3 .]" 1
219 1 22 LEU H 1 22 LEU MD2 3.000 . 5.000 4.194 3.844 4.251 . 0 0 "[ . 1 . 2 . 3 .]" 1
220 1 22 LEU H 1 22 LEU HB2 2.500 . 2.900 2.126 2.094 2.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
221 1 22 LEU H 1 22 LEU HB3 3.000 . 3.500 3.105 3.014 3.553 0.053 17 0 "[ . 1 . 2 . 3 .]" 1
222 1 22 LEU HG 1 23 VAL H 4.000 . 5.000 3.805 3.669 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
223 1 22 LEU HB3 1 23 VAL H 2.500 . 3.100 3.236 2.614 3.361 0.261 29 0 "[ . 1 . 2 . 3 .]" 1
224 1 22 LEU H 1 23 VAL H 4.000 . 5.000 4.691 4.665 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
225 1 22 LEU MD2 1 23 VAL H 3.000 . 4.000 1.700 1.589 2.350 0.211 35 0 "[ . 1 . 2 . 3 .]" 1
226 1 22 LEU HA 1 23 VAL H 2.500 . 2.900 2.409 2.337 2.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
227 1 22 LEU HB3 1 24 VAL H 4.000 . 5.000 4.863 4.442 5.101 0.101 4 0 "[ . 1 . 2 . 3 .]" 1
228 1 22 LEU H 1 52 VAL HA 4.000 . 5.000 3.456 3.292 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
229 1 22 LEU HB3 1 53 ILE H 4.000 . 5.000 3.889 3.723 4.288 . 0 0 "[ . 1 . 2 . 3 .]" 1
230 1 22 LEU HA 1 53 ILE H 4.000 . 5.000 5.166 5.054 5.246 0.246 32 0 "[ . 1 . 2 . 3 .]" 1
231 1 22 LEU MD2 1 80 PHE H 4.000 . 5.500 3.395 3.130 4.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
232 1 22 LEU H 1 81 LYS QE 4.000 . 5.000 4.283 3.299 5.043 0.043 11 0 "[ . 1 . 2 . 3 .]" 1
233 1 22 LEU HA 1 82 LYS H 4.000 . 5.000 5.068 4.981 5.132 0.132 25 0 "[ . 1 . 2 . 3 .]" 1
234 1 22 LEU MD1 1 103 GLU H 4.000 . 5.500 5.087 5.003 5.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
235 1 22 LEU MD1 1 104 LEU H 4.000 . 5.500 3.424 3.348 3.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
236 1 22 LEU H 1 105 VAL HA 4.000 . 5.000 5.137 5.045 5.223 0.223 28 0 "[ . 1 . 2 . 3 .]" 1
237 1 22 LEU MD1 1 105 VAL H 4.000 . 5.500 3.123 2.981 3.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
238 1 23 VAL H 1 23 VAL HB 2.500 . 3.100 2.829 2.766 2.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
239 1 23 VAL MG1 1 24 VAL H 4.000 . 5.500 2.973 2.768 3.147 . 0 0 "[ . 1 . 2 . 3 .]" 1
240 1 23 VAL H 1 24 VAL H 4.000 . 5.000 4.012 3.868 4.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
241 1 23 VAL H 1 24 VAL HA 3.000 . 4.300 4.530 4.439 4.582 0.282 4 0 "[ . 1 . 2 . 3 .]" 1
242 1 23 VAL H 1 24 VAL MG2 4.000 . 5.500 3.814 3.661 3.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
243 1 23 VAL HA 1 24 VAL H 2.500 . 2.900 2.186 2.145 2.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
244 1 23 VAL HA 1 53 ILE H 4.000 . 5.000 3.111 2.883 3.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
245 1 23 VAL H 1 53 ILE H 4.000 . 5.000 4.899 4.781 4.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
246 1 23 VAL H 1 79 PHE HA 4.000 . 5.000 4.524 4.386 4.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
247 1 23 VAL MG1 1 80 PHE H 4.000 . 5.500 3.655 3.460 3.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
248 1 23 VAL HB 1 80 PHE H 4.000 . 5.000 3.011 2.908 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
249 1 23 VAL H 1 80 PHE H 4.000 . 5.000 3.277 3.158 3.454 . 0 0 "[ . 1 . 2 . 3 .]" 1
250 1 23 VAL H 1 81 LYS HA 4.000 . 5.000 4.016 3.882 4.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
251 1 24 VAL H 1 24 VAL HB 4.000 . 5.000 2.600 2.534 2.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
252 1 24 VAL H 1 24 VAL MG2 4.000 . 5.500 2.434 2.293 2.537 . 0 0 "[ . 1 . 2 . 3 .]" 1
253 1 24 VAL MG1 1 25 VAL H 3.000 . 4.000 2.355 2.279 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
254 1 24 VAL HB 1 25 VAL H 4.000 . 5.000 3.985 3.903 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
255 1 24 VAL H 1 52 VAL MG1 4.000 . 5.500 3.299 2.944 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
256 1 24 VAL H 1 53 ILE HB 4.000 . 5.000 4.186 3.967 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
257 1 24 VAL H 1 53 ILE H 4.000 . 5.000 4.274 4.009 4.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
258 1 24 VAL H 1 54 PHE HA 4.000 . 5.000 2.811 2.749 2.905 . 0 0 "[ . 1 . 2 . 3 .]" 1
259 1 24 VAL H 1 54 PHE H 4.000 . 5.000 4.918 4.839 5.003 0.003 13 0 "[ . 1 . 2 . 3 .]" 1
260 1 24 VAL H 1 55 LEU H 4.000 . 5.000 3.677 3.532 3.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
261 1 24 VAL MG1 1 55 LEU H 4.000 . 5.500 4.293 4.164 4.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
262 1 24 VAL HA 1 80 PHE H 4.000 . 5.000 3.489 3.341 3.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
263 1 25 VAL H 1 25 VAL MG2 3.000 . 4.000 2.599 2.492 2.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
264 1 25 VAL H 1 25 VAL MG1 4.000 . 5.500 3.900 3.850 3.930 . 0 0 "[ . 1 . 2 . 3 .]" 1
265 1 25 VAL H 1 25 VAL HB 4.000 . 5.000 2.700 2.619 2.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
266 1 25 VAL HB 1 26 ASP H 4.000 . 5.000 4.231 4.167 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
267 1 25 VAL MG1 1 26 ASP H 4.000 . 5.500 2.830 2.712 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
268 1 25 VAL MG2 1 26 ASP H 4.000 . 5.500 4.180 4.051 4.224 . 0 0 "[ . 1 . 2 . 3 .]" 1
269 1 25 VAL HA 1 26 ASP H 3.000 . 3.500 2.174 2.145 2.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
270 1 25 VAL MG1 1 27 PHE H 4.000 . 5.500 4.144 3.750 4.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
271 1 25 VAL MG1 1 55 LEU H 4.000 . 6.500 4.517 4.409 4.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
272 1 25 VAL HA 1 55 LEU H 4.000 . 5.000 2.972 2.861 3.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
273 1 25 VAL H 1 77 PHE HA 4.000 . 5.000 4.247 4.143 4.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
274 1 25 VAL H 1 77 PHE QD 4.000 . 5.000 4.748 4.586 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
275 1 25 VAL MG2 1 78 GLN H 4.000 . 5.500 4.173 4.090 4.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
276 1 25 VAL H 1 79 PHE H 4.000 . 5.000 4.912 4.828 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
277 1 25 VAL MG2 1 80 PHE H 4.000 . 5.500 3.871 3.745 3.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
278 1 25 VAL H 1 80 PHE H 4.000 . 5.000 4.749 4.552 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
279 1 25 VAL H 1 80 PHE QD 4.000 . 5.000 4.027 3.828 4.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
280 1 26 ASP H 1 26 ASP HB3 4.000 . 5.000 2.549 2.480 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
281 1 26 ASP HA 1 27 PHE H 3.000 . 3.500 2.196 2.161 2.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
282 1 26 ASP H 1 42 PHE QE 4.000 . 5.000 3.777 3.645 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
283 1 26 ASP H 1 55 LEU HA 4.000 . 5.000 5.067 5.017 5.113 0.113 6 0 "[ . 1 . 2 . 3 .]" 1
284 1 26 ASP H 1 55 LEU HB3 4.000 . 5.000 4.462 4.268 4.603 . 0 0 "[ . 1 . 2 . 3 .]" 1
285 1 26 ASP H 1 56 GLU HA 4.000 . 5.000 2.866 2.779 2.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
286 1 26 ASP H 1 57 VAL MG2 4.000 . 5.500 3.345 3.145 3.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
287 1 26 ASP HA 1 77 PHE H 4.000 . 5.000 5.122 5.065 5.202 0.202 12 0 "[ . 1 . 2 . 3 .]" 1
288 1 26 ASP HA 1 78 GLN H 3.000 . 3.800 3.926 3.825 4.019 0.219 13 0 "[ . 1 . 2 . 3 .]" 1
289 1 27 PHE H 1 27 PHE QE 4.000 . 5.000 4.815 4.660 4.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
290 1 27 PHE H 1 27 PHE HB3 4.000 . 5.000 3.643 3.615 3.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
291 1 27 PHE H 1 27 PHE QD 4.000 . 5.000 2.780 2.563 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
292 1 27 PHE H 1 27 PHE HB2 4.000 . 5.000 2.376 2.334 2.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
293 1 27 PHE QE 1 66 ALA H 4.000 . 5.000 3.332 3.107 3.612 . 0 0 "[ . 1 . 2 . 3 .]" 1
294 1 27 PHE QD 1 66 ALA H 4.000 . 5.000 4.204 4.040 4.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
295 1 27 PHE HB2 1 77 PHE H 4.000 . 5.200 5.365 5.287 5.446 0.246 26 0 "[ . 1 . 2 . 3 .]" 1
296 1 27 PHE H 1 78 GLN H 4.000 . 5.000 4.589 4.273 4.761 . 0 0 "[ . 1 . 2 . 3 .]" 1
297 1 28 SER HB3 1 29 ALA H 4.000 . 5.000 2.874 2.769 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
298 1 28 SER HB2 1 29 ALA H 4.000 . 5.000 3.918 3.845 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
299 1 28 SER HA 1 29 ALA H 3.000 . 3.500 2.242 2.217 2.293 . 0 0 "[ . 1 . 2 . 3 .]" 1
300 1 28 SER HA 1 59 VAL H 4.000 . 5.300 5.482 5.103 5.640 0.340 26 0 "[ . 1 . 2 . 3 .]" 1
301 1 29 ALA H 1 30 THR H 4.000 . 5.000 4.501 4.461 4.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
302 1 29 ALA MB 1 30 THR H 4.000 . 5.500 3.245 3.164 3.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
303 1 29 ALA HA 1 30 THR H 2.500 . 2.900 2.205 2.177 2.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
304 1 29 ALA MB 1 31 TRP H 4.000 . 5.500 2.867 2.748 2.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
305 1 29 ALA HA 1 32 CYS H 4.000 . 5.000 4.231 4.123 4.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
306 1 29 ALA MB 1 32 CYS H 4.000 . 5.500 2.228 2.048 2.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
307 1 29 ALA H 1 35 ALA MB 3.000 . 4.000 2.483 2.209 2.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
308 1 29 ALA H 1 58 ASP HA 4.000 . 6.000 5.704 5.439 5.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
309 1 29 ALA MB 1 60 ASP H 4.000 . 5.500 4.419 4.292 4.533 . 0 0 "[ . 1 . 2 . 3 .]" 1
310 1 30 THR H 1 30 THR HB 4.000 . 5.000 2.622 2.575 2.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
311 1 30 THR H 1 30 THR MG 3.000 . 4.000 1.916 1.850 2.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
312 1 30 THR H 1 31 TRP HB3 4.000 . 5.000 4.967 4.841 5.039 0.039 25 0 "[ . 1 . 2 . 3 .]" 1
313 1 30 THR H 1 31 TRP H 4.000 . 5.000 2.549 2.467 2.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
314 1 30 THR MG 1 31 TRP H 4.000 . 5.500 2.140 2.014 2.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
315 1 30 THR MG 1 32 CYS H 4.000 . 5.500 4.195 4.127 4.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
316 1 30 THR H 1 32 CYS H 4.000 . 5.000 4.022 3.957 4.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
317 1 30 THR H 1 58 ASP HA 3.000 . 3.500 3.555 3.485 3.632 0.132 16 0 "[ . 1 . 2 . 3 .]" 1
318 1 30 THR MG 1 60 ASP H 4.000 . 5.500 4.046 3.836 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
319 1 31 TRP H 1 31 TRP HB3 4.000 . 5.000 2.613 2.546 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
320 1 31 TRP H 1 31 TRP HB2 4.000 . 5.000 3.637 3.611 3.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
321 1 31 TRP H 1 31 TRP HD1 3.000 . 3.500 2.399 2.206 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
322 1 31 TRP HB2 1 32 CYS H 4.000 . 5.000 4.046 3.961 4.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
323 1 31 TRP HA 1 32 CYS H 4.000 . 5.000 3.484 3.429 3.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
324 1 31 TRP H 1 58 ASP HA 4.000 . 6.000 5.962 5.816 6.136 0.136 31 0 "[ . 1 . 2 . 3 .]" 1
325 1 31 TRP H 1 60 ASP H 4.000 . 5.200 5.418 5.353 5.500 0.300 28 0 "[ . 1 . 2 . 3 .]" 1
326 1 32 CYS H 1 32 CYS HB2 4.000 . 5.000 2.546 2.458 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
327 1 32 CYS H 1 32 CYS HB3 4.000 . 5.000 2.683 2.594 2.754 . 0 0 "[ . 1 . 2 . 3 .]" 1
328 1 32 CYS HA 1 33 GLY H 4.000 . 5.000 2.157 2.130 2.191 . 0 0 "[ . 1 . 2 . 3 .]" 1
329 1 32 CYS H 1 34 PRO HD2 4.000 . 6.000 5.396 5.183 5.578 . 0 0 "[ . 1 . 2 . 3 .]" 1
330 1 32 CYS H 1 35 ALA MB 4.000 . 5.500 3.896 3.740 4.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
331 1 32 CYS HA 1 36 LYS H 4.000 . 5.500 5.188 5.063 5.395 . 0 0 "[ . 1 . 2 . 3 .]" 1
332 1 33 GLY H 1 34 PRO QG 4.000 . 5.000 4.143 4.072 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
333 1 33 GLY H 1 34 PRO QD 4.000 . 5.000 2.175 2.111 2.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
334 1 34 PRO HB3 1 35 ALA H 4.000 . 5.000 4.105 4.005 4.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
335 1 34 PRO QG 1 35 ALA H 4.000 . 5.000 3.610 3.039 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
336 1 34 PRO QD 1 35 ALA H 4.000 . 5.000 2.917 2.828 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
337 1 35 ALA H 1 35 ALA MB 2.500 . 3.200 2.217 2.155 2.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
338 1 35 ALA MB 1 36 LYS H 4.000 . 5.000 2.358 2.197 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
339 1 35 ALA H 1 36 LYS H 4.000 . 5.000 2.613 2.513 2.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
340 1 36 LYS H 1 36 LYS QG 4.000 . 5.000 3.974 3.945 3.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
341 1 36 LYS H 1 36 LYS QB 3.000 . 3.800 2.274 2.242 2.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
342 1 36 LYS QG 1 37 MET H 4.000 . 5.000 3.859 3.765 3.939 . 0 0 "[ . 1 . 2 . 3 .]" 1
343 1 36 LYS QB 1 37 MET H 3.000 . 3.500 2.671 2.548 2.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
344 1 36 LYS H 1 37 MET H 4.000 . 5.000 2.664 2.550 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
345 1 36 LYS H 1 38 ILE H 4.000 . 5.000 4.168 4.083 4.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
346 1 36 LYS HA 1 39 LYS H 4.000 . 5.000 3.445 3.174 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
347 1 37 MET H 1 37 MET QB 2.500 . 2.900 2.249 2.224 2.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
348 1 37 MET H 1 37 MET HA 3.000 . 3.500 2.836 2.819 2.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
349 1 37 MET QG 1 38 ILE H 4.000 . 5.000 4.207 3.887 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
350 1 37 MET H 1 38 ILE H 4.000 . 5.000 2.684 2.635 2.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
351 1 37 MET HA 1 39 LYS H 4.000 . 5.000 3.787 3.655 4.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
352 1 37 MET H 1 39 LYS H 4.000 . 5.000 4.164 4.112 4.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
353 1 38 ILE H 1 38 ILE QG 4.000 . 5.500 2.157 1.832 2.475 . 0 0 "[ . 1 . 2 . 3 .]" 1
354 1 38 ILE H 1 38 ILE MG 4.000 . 5.500 3.788 3.744 3.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
355 1 38 ILE H 1 38 ILE HB 4.000 . 5.000 2.554 2.346 2.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
356 1 38 ILE H 1 39 LYS QG 4.000 . 5.000 4.780 4.696 4.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
357 1 38 ILE H 1 39 LYS H 2.500 . 2.900 2.609 2.547 2.660 . 0 0 "[ . 1 . 2 . 3 .]" 1
358 1 38 ILE QG 1 94 LYS H 4.000 . 6.000 5.231 4.656 5.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
359 1 39 LYS H 1 39 LYS QG 4.000 . 5.000 2.651 2.580 2.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
360 1 39 LYS H 1 39 LYS QB 3.000 . 3.500 2.428 2.391 2.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
361 1 39 LYS H 1 40 PRO HG3 4.000 . 5.000 4.662 4.582 4.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
362 1 39 LYS H 1 40 PRO QD 4.000 . 5.000 2.233 2.156 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
363 1 39 LYS QB 1 42 PHE H 4.000 . 5.700 4.879 4.378 5.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
364 1 39 LYS HA 1 42 PHE H 4.000 . 5.000 3.407 3.029 3.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
365 1 39 LYS QB 1 43 HIS H 4.000 . 5.000 3.890 3.655 4.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
366 1 40 PRO QG 1 41 PHE H 4.000 . 5.000 3.796 3.718 3.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
367 1 40 PRO QD 1 41 PHE H 4.000 . 5.000 2.730 2.628 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
368 1 40 PRO HB2 1 44 SER H 4.000 . 5.200 5.019 4.952 5.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
369 1 41 PHE H 1 41 PHE HA 3.000 . 3.500 2.896 2.888 2.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
370 1 41 PHE H 1 41 PHE HB2 3.000 . 3.500 2.397 2.274 2.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
371 1 41 PHE H 1 41 PHE HB3 4.000 . 5.000 3.603 3.558 3.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
372 1 41 PHE HB2 1 42 PHE H 3.000 . 3.500 2.425 2.299 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
373 1 41 PHE HB3 1 42 PHE H 4.000 . 5.000 3.358 3.208 3.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
374 1 41 PHE QD 1 42 PHE H 4.000 . 5.000 3.971 3.840 4.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
375 1 41 PHE H 1 42 PHE H 4.000 . 5.000 2.613 2.508 2.698 . 0 0 "[ . 1 . 2 . 3 .]" 1
376 1 41 PHE H 1 44 SER H 4.000 . 5.000 4.387 4.259 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
377 1 41 PHE HA 1 44 SER H 4.000 . 5.000 3.610 3.437 3.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
378 1 42 PHE H 1 42 PHE QD 4.000 . 5.000 4.173 4.152 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
379 1 42 PHE H 1 42 PHE HB2 3.000 . 3.500 2.540 2.473 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
380 1 42 PHE H 1 42 PHE HB3 4.000 . 5.000 2.475 2.423 2.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
381 1 42 PHE HA 1 43 HIS H 4.000 . 5.000 3.555 3.532 3.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
382 1 42 PHE QD 1 43 HIS H 4.000 . 5.000 3.092 2.853 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
383 1 42 PHE HB2 1 43 HIS H 4.000 . 5.000 3.749 3.682 3.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
384 1 42 PHE HB3 1 43 HIS H 4.000 . 5.000 2.343 2.258 2.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
385 1 42 PHE H 1 43 HIS H 4.000 . 5.000 2.773 2.689 2.847 . 0 0 "[ . 1 . 2 . 3 .]" 1
386 1 42 PHE HA 1 44 SER H 4.000 . 5.000 4.692 4.609 4.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
387 1 42 PHE H 1 44 SER H 4.000 . 5.000 4.100 4.020 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
388 1 43 HIS H 1 43 HIS HD2 4.000 . 5.000 5.015 4.972 5.053 0.053 30 0 "[ . 1 . 2 . 3 .]" 1
389 1 43 HIS H 1 43 HIS QB 2.500 . 2.900 2.231 2.208 2.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
390 1 43 HIS HD2 1 44 SER H 4.000 . 5.000 3.675 3.524 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
391 1 43 HIS QB 1 44 SER H 2.500 . 3.200 2.555 2.439 2.635 . 0 0 "[ . 1 . 2 . 3 .]" 1
392 1 43 HIS HA 1 44 SER H 4.000 . 5.000 3.573 3.550 3.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
393 1 43 HIS HA 1 46 SER H 4.000 . 5.000 3.650 3.536 3.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
394 1 44 SER H 1 44 SER QB 2.500 . 2.900 2.492 2.447 2.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
395 1 44 SER H 1 44 SER HA 2.500 . 2.900 2.849 2.831 2.862 . 0 0 "[ . 1 . 2 . 3 .]" 1
396 1 44 SER H 1 45 LEU HG 4.000 . 5.000 4.656 4.553 4.777 . 0 0 "[ . 1 . 2 . 3 .]" 1
397 1 44 SER H 1 45 LEU H 3.000 . 3.500 2.728 2.659 2.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
398 1 44 SER HA 1 47 GLU H 4.000 . 5.000 3.907 3.753 4.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
399 1 44 SER H 1 47 GLU H 4.000 . 6.000 5.758 5.682 5.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
400 1 45 LEU HG 1 46 SER H 4.000 . 5.000 4.615 4.554 4.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
401 1 45 LEU HB3 1 46 SER H 4.000 . 5.000 3.878 3.776 3.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
402 1 45 LEU HB2 1 46 SER H 4.000 . 5.000 3.075 2.966 3.160 . 0 0 "[ . 1 . 2 . 3 .]" 1
403 1 45 LEU HA 1 46 SER H 4.000 . 5.000 3.480 3.447 3.510 . 0 0 "[ . 1 . 2 . 3 .]" 1
404 1 45 LEU HB3 1 48 LYS H 4.000 . 5.000 4.294 4.115 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
405 1 45 LEU HA 1 48 LYS H 4.000 . 5.000 2.721 2.630 2.856 . 0 0 "[ . 1 . 2 . 3 .]" 1
406 1 45 LEU HB2 1 49 TYR H 4.000 . 5.000 5.252 5.186 5.323 0.323 12 0 "[ . 1 . 2 . 3 .]" 1
407 1 45 LEU HA 1 49 TYR H 4.000 . 5.000 3.843 3.604 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
408 1 45 LEU MD1 1 98 GLU H 4.000 . 5.500 3.963 3.781 4.098 . 0 0 "[ . 1 . 2 . 3 .]" 1
409 1 46 SER H 1 46 SER QB 3.000 . 3.500 2.555 2.509 2.599 . 0 0 "[ . 1 . 2 . 3 .]" 1
410 1 46 SER H 1 46 SER HA 2.500 . 2.900 2.810 2.790 2.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
411 1 46 SER H 1 47 GLU H 2.500 . 2.900 2.782 2.721 2.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
412 1 46 SER HA 1 47 GLU H 4.000 . 5.000 3.539 3.515 3.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
413 1 46 SER H 1 48 LYS H 4.000 . 5.000 3.843 3.794 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
414 1 46 SER HA 1 49 TYR H 4.000 . 5.000 3.752 3.627 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
415 1 46 SER H 1 49 TYR H 4.000 . 5.000 4.821 4.753 4.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
416 1 46 SER H 1 54 PHE HE1 4.000 . 5.000 5.024 4.942 5.086 0.086 16 0 "[ . 1 . 2 . 3 .]" 1
417 1 46 SER H 1 54 PHE HD1 4.000 . 5.000 4.966 4.869 5.052 0.052 1 0 "[ . 1 . 2 . 3 .]" 1
418 1 47 GLU H 1 47 GLU HB2 2.500 . 2.900 2.391 2.352 2.439 . 0 0 "[ . 1 . 2 . 3 .]" 1
419 1 47 GLU H 1 47 GLU HB3 4.000 . 5.000 3.625 3.605 3.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
420 1 47 GLU H 1 47 GLU QG 3.000 . 3.500 3.031 2.418 3.416 . 0 0 "[ . 1 . 2 . 3 .]" 1
421 1 47 GLU H 1 47 GLU HA 2.500 . 2.900 2.948 2.933 2.968 0.068 10 0 "[ . 1 . 2 . 3 .]" 1
422 1 47 GLU HA 1 48 LYS H 4.000 . 5.000 3.463 3.402 3.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
423 1 47 GLU QB 1 48 LYS H 4.000 . 5.000 3.104 3.007 3.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
424 1 47 GLU H 1 48 LYS H 2.500 . 2.900 2.380 2.308 2.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
425 1 47 GLU H 1 49 TYR H 4.000 . 5.000 4.091 3.986 4.173 . 0 0 "[ . 1 . 2 . 3 .]" 1
426 1 48 LYS H 1 48 LYS QG 4.000 . 5.000 4.030 4.006 4.096 . 0 0 "[ . 1 . 2 . 3 .]" 1
427 1 48 LYS H 1 48 LYS HB3 2.500 . 2.900 2.629 2.550 2.758 . 0 0 "[ . 1 . 2 . 3 .]" 1
428 1 48 LYS H 1 48 LYS HB2 2.500 . 2.900 2.636 2.407 2.691 . 0 0 "[ . 1 . 2 . 3 .]" 1
429 1 48 LYS H 1 48 LYS HA 2.500 . 2.900 2.930 2.914 2.949 0.049 10 0 "[ . 1 . 2 . 3 .]" 1
430 1 48 LYS HA 1 49 TYR H 4.000 . 5.000 3.507 3.484 3.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
431 1 48 LYS H 1 49 TYR HA 4.000 . 5.000 5.078 5.003 5.122 0.122 30 0 "[ . 1 . 2 . 3 .]" 1
432 1 48 LYS H 1 49 TYR QD 4.000 . 5.000 4.613 4.300 4.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
433 1 48 LYS HB3 1 49 TYR H 3.000 . 3.500 2.651 2.530 2.742 . 0 0 "[ . 1 . 2 . 3 .]" 1
434 1 48 LYS H 1 49 TYR H 2.500 . 2.900 2.331 2.225 2.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
435 1 48 LYS H 1 54 PHE QE 4.000 . 5.000 5.178 5.104 5.219 0.219 26 0 "[ . 1 . 2 . 3 .]" 1
436 1 49 TYR H 1 49 TYR QE 4.000 . 5.000 5.010 4.897 5.108 0.108 16 0 "[ . 1 . 2 . 3 .]" 1
437 1 49 TYR H 1 49 TYR HA 3.000 . 3.500 3.012 3.007 3.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
438 1 49 TYR H 1 49 TYR QB 2.500 . 2.900 2.587 2.496 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
439 1 49 TYR H 1 49 TYR QD 3.000 . 3.500 3.201 2.969 3.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
440 1 49 TYR QB 1 50 SER H 4.000 . 5.000 3.900 3.882 3.918 . 0 0 "[ . 1 . 2 . 3 .]" 1
441 1 49 TYR QD 1 50 SER H 4.000 . 5.000 4.753 4.671 4.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
442 1 49 TYR HA 1 50 SER H 2.500 . 2.900 2.484 2.456 2.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
443 1 49 TYR H 1 50 SER H 4.000 . 5.000 3.298 3.205 3.360 . 0 0 "[ . 1 . 2 . 3 .]" 1
444 1 49 TYR HA 1 51 ASN H 2.500 . 2.900 2.935 2.845 2.987 0.087 5 0 "[ . 1 . 2 . 3 .]" 1
445 1 49 TYR QB 1 52 VAL H 4.000 . 5.000 3.263 2.821 3.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
446 1 49 TYR H 1 54 PHE HZ 4.000 . 5.000 4.198 4.042 4.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
447 1 50 SER H 1 50 SER HB3 4.000 . 5.000 2.406 2.345 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
448 1 50 SER H 1 50 SER HB2 3.000 . 3.500 3.578 3.563 3.591 0.091 26 0 "[ . 1 . 2 . 3 .]" 1
449 1 50 SER H 1 50 SER HA 2.500 . 2.900 2.852 2.840 2.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
450 1 50 SER HB3 1 51 ASN H 4.000 . 5.000 4.159 4.070 4.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
451 1 50 SER HB2 1 51 ASN H 4.000 . 5.000 4.288 4.223 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
452 1 50 SER HA 1 51 ASN H 2.500 . 3.300 3.355 3.306 3.378 0.078 7 0 "[ . 1 . 2 . 3 .]" 1
453 1 50 SER H 1 51 ASN H 2.500 . 2.900 2.625 2.535 2.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
454 1 50 SER H 1 52 VAL H 4.000 . 5.000 4.236 4.061 4.317 . 0 0 "[ . 1 . 2 . 3 .]" 1
455 1 51 ASN HA 1 51 ASN QD 4.000 . 5.000 3.740 3.369 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
456 1 51 ASN H 1 51 ASN QD 4.000 . 5.000 4.613 4.565 4.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
457 1 51 ASN H 1 51 ASN QB 2.500 . 2.900 2.334 2.169 2.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
458 1 51 ASN H 1 51 ASN HA 2.500 . 2.900 2.955 2.920 2.965 0.065 15 0 "[ . 1 . 2 . 3 .]" 1
459 1 51 ASN HB3 1 52 VAL H 4.000 . 5.000 3.617 3.111 3.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
460 1 51 ASN QD 1 52 VAL HA 4.000 . 5.000 4.597 4.399 5.342 0.342 9 0 "[ . 1 . 2 . 3 .]" 1
461 1 51 ASN QD 1 52 VAL MG2 4.000 . 5.000 3.413 3.163 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
462 1 51 ASN H 1 52 VAL HB 4.000 . 5.000 4.281 4.160 4.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
463 1 51 ASN QB 1 52 VAL H 4.000 . 5.000 3.439 3.038 3.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
464 1 51 ASN H 1 52 VAL MG2 4.000 . 5.000 3.795 3.602 4.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
465 1 51 ASN HA 1 52 VAL H 3.000 . 3.500 3.214 3.143 3.455 . 0 0 "[ . 1 . 2 . 3 .]" 1
466 1 51 ASN H 1 52 VAL H 2.500 . 2.900 2.443 2.343 2.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
467 1 51 ASN QD 1 105 VAL MG2 3.000 . 3.500 3.509 3.379 3.698 0.198 10 0 "[ . 1 . 2 . 3 .]" 1
468 1 52 VAL H 1 52 VAL MG1 4.000 . 5.500 3.813 3.783 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
469 1 52 VAL H 1 52 VAL MG2 2.500 . 3.400 2.995 2.714 3.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
470 1 52 VAL H 1 52 VAL HB 2.500 . 2.900 2.585 2.436 2.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
471 1 52 VAL H 1 52 VAL HA 2.500 . 2.900 2.987 2.979 2.993 0.093 4 0 "[ . 1 . 2 . 3 .]" 1
472 1 52 VAL H 1 53 ILE H 4.000 . 5.000 4.450 4.398 4.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
473 1 52 VAL HB 1 53 ILE H 4.000 . 5.000 4.084 3.955 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
474 1 52 VAL MG1 1 53 ILE H 3.000 . 3.800 2.141 1.931 2.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
475 1 52 VAL HA 1 53 ILE H 2.500 . 2.900 2.306 2.262 2.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
476 1 52 VAL H 1 54 PHE HD1 4.000 . 5.000 4.820 4.713 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
477 1 52 VAL H 1 54 PHE H 4.000 . 5.900 5.987 5.898 6.127 0.227 10 0 "[ . 1 . 2 . 3 .]" 1
478 1 53 ILE H 1 53 ILE MG 4.000 . 5.500 3.848 3.829 3.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
479 1 53 ILE H 1 53 ILE MD 4.000 . 5.500 3.096 3.023 3.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
480 1 53 ILE H 1 53 ILE QG 4.000 . 5.000 2.273 2.213 2.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
481 1 53 ILE H 1 53 ILE HB 3.000 . 3.500 2.624 2.582 2.653 . 0 0 "[ . 1 . 2 . 3 .]" 1
482 1 53 ILE H 1 54 PHE HA 4.000 . 5.200 5.121 5.045 5.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
483 1 53 ILE MG 1 54 PHE H 2.500 . 3.600 2.779 2.688 2.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
484 1 53 ILE HA 1 54 PHE H 2.500 . 2.900 2.208 2.170 2.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
485 1 54 PHE H 1 54 PHE QE 4.000 . 5.000 4.494 4.300 4.661 . 0 0 "[ . 1 . 2 . 3 .]" 1
486 1 54 PHE H 1 54 PHE HB2 3.000 . 3.500 2.466 2.411 2.501 . 0 0 "[ . 1 . 2 . 3 .]" 1
487 1 54 PHE H 1 54 PHE QD 2.500 . 2.900 2.220 1.999 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
488 1 54 PHE H 1 55 LEU MD1 4.000 . 5.000 3.517 3.427 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
489 1 54 PHE HB3 1 55 LEU H 4.000 . 5.000 3.387 3.275 3.477 . 0 0 "[ . 1 . 2 . 3 .]" 1
490 1 54 PHE HA 1 55 LEU H 2.500 . 2.900 2.220 2.194 2.249 . 0 0 "[ . 1 . 2 . 3 .]" 1
491 1 54 PHE H 1 55 LEU H 4.000 . 5.000 4.485 4.443 4.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
492 1 55 LEU H 1 55 LEU MD2 4.000 . 5.500 3.967 3.758 4.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
493 1 55 LEU H 1 55 LEU MD1 4.000 . 5.500 2.284 2.184 2.453 . 0 0 "[ . 1 . 2 . 3 .]" 1
494 1 55 LEU H 1 55 LEU HB3 4.000 . 5.000 3.745 3.697 3.789 . 0 0 "[ . 1 . 2 . 3 .]" 1
495 1 55 LEU H 1 55 LEU HB2 4.000 . 5.000 2.535 2.461 2.609 . 0 0 "[ . 1 . 2 . 3 .]" 1
496 1 55 LEU HG 1 56 GLU H 4.000 . 5.000 4.052 3.861 4.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
497 1 55 LEU HB2 1 56 GLU H 4.000 . 5.000 4.078 4.003 4.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
498 1 55 LEU HA 1 56 GLU H 2.500 . 2.900 2.214 2.175 2.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
499 1 55 LEU MD1 1 56 GLU H 4.000 . 5.500 4.371 4.157 4.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
500 1 55 LEU HB3 1 56 GLU H 4.000 . 5.000 2.954 2.847 3.038 . 0 0 "[ . 1 . 2 . 3 .]" 1
501 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 4.071 4.061 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
502 1 56 GLU H 1 56 GLU QB 3.000 . 3.500 2.472 2.447 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
503 1 57 VAL HB 1 59 VAL H 4.000 . 5.500 5.436 5.329 5.540 0.040 35 0 "[ . 1 . 2 . 3 .]" 1
504 1 57 VAL MG1 1 66 ALA H 4.000 . 5.500 3.614 3.408 3.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
505 1 58 ASP HA 1 59 VAL H 2.500 . 2.900 2.235 2.206 2.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
506 1 58 ASP HB3 1 60 ASP H 4.000 . 5.000 3.598 3.518 3.660 . 0 0 "[ . 1 . 2 . 3 .]" 1
507 1 58 ASP H 1 60 ASP H 4.000 . 5.000 5.160 5.114 5.203 0.203 29 0 "[ . 1 . 2 . 3 .]" 1
508 1 58 ASP HB3 1 62 ALA H 4.000 . 5.000 2.323 2.153 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
509 1 58 ASP HA 1 62 ALA H 4.000 . 5.000 4.446 4.352 4.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
510 1 58 ASP H 1 62 ALA H 4.000 . 5.000 3.850 3.667 4.007 . 0 0 "[ . 1 . 2 . 3 .]" 1
511 1 58 ASP HB3 1 63 GLN H 3.000 . 4.800 4.954 4.872 5.063 0.263 34 0 "[ . 1 . 2 . 3 .]" 1
512 1 59 VAL H 1 59 VAL MG2 4.000 . 5.500 1.893 1.810 1.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
513 1 59 VAL H 1 59 VAL MG1 4.000 . 5.500 2.143 2.049 2.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
514 1 59 VAL H 1 60 ASP HB3 4.000 . 5.800 6.003 5.963 6.041 0.241 19 0 "[ . 1 . 2 . 3 .]" 1
515 1 59 VAL MG1 1 60 ASP H 4.000 . 5.500 3.988 3.922 4.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
516 1 59 VAL HA 1 60 ASP H 4.000 . 5.000 3.447 3.426 3.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
517 1 59 VAL H 1 60 ASP HB2 4.000 . 5.000 4.488 4.437 4.539 . 0 0 "[ . 1 . 2 . 3 .]" 1
518 1 59 VAL H 1 61 ASP H 4.000 . 5.000 4.402 4.326 4.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
519 1 59 VAL HA 1 62 ALA H 4.000 . 5.000 3.917 3.745 4.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
520 1 60 ASP H 1 60 ASP QB 3.000 . 3.500 2.239 2.199 2.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
521 1 60 ASP HA 1 61 ASP H 4.000 . 5.000 3.600 3.580 3.626 . 0 0 "[ . 1 . 2 . 3 .]" 1
522 1 60 ASP H 1 61 ASP H 3.000 . 3.500 2.459 2.365 2.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
523 1 60 ASP HA 1 62 ALA H 4.000 . 5.000 4.323 4.193 4.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
524 1 60 ASP H 1 62 ALA H 4.000 . 5.000 3.365 3.266 3.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
525 1 60 ASP H 1 63 GLN HA 4.000 . 5.000 5.039 4.920 5.127 0.127 19 0 "[ . 1 . 2 . 3 .]" 1
526 1 60 ASP HA 1 63 GLN H 4.000 . 5.000 4.290 4.185 4.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
527 1 61 ASP HB2 1 62 ALA H 4.000 . 5.000 3.154 2.957 3.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
528 1 61 ASP HB3 1 62 ALA H 4.000 . 5.000 4.073 3.939 4.157 . 0 0 "[ . 1 . 2 . 3 .]" 1
529 1 61 ASP HA 1 62 ALA H 4.000 . 5.000 3.401 3.353 3.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
530 1 61 ASP H 1 62 ALA H 3.000 . 3.500 2.120 2.051 2.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
531 1 62 ALA H 1 62 ALA MB 2.500 . 3.200 2.505 2.419 2.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
532 1 62 ALA H 1 62 ALA HA 3.000 . 3.500 2.994 2.988 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
533 1 62 ALA H 1 63 GLN H 4.000 . 5.000 2.637 2.562 2.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
534 1 62 ALA MB 1 63 GLN H 4.000 . 5.500 3.663 3.634 3.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
535 1 62 ALA HA 1 63 GLN H 2.500 . 2.900 2.817 2.778 2.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
536 1 62 ALA MB 1 64 ASP H 4.000 . 5.500 4.102 3.942 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
537 1 62 ALA HA 1 64 ASP H 4.000 . 5.000 3.167 3.069 3.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
538 1 62 ALA HA 1 65 VAL H 4.000 . 5.000 3.767 3.562 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
539 1 62 ALA MB 1 65 VAL H 4.000 . 5.500 3.404 3.244 3.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
540 1 62 ALA MB 1 66 ALA H 3.000 . 5.000 3.943 3.717 4.194 . 0 0 "[ . 1 . 2 . 3 .]" 1
541 1 63 GLN H 1 63 GLN QE 4.000 . 5.000 4.081 2.422 4.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
542 1 63 GLN H 1 63 GLN QB 3.000 . 3.500 2.404 2.375 2.443 . 0 0 "[ . 1 . 2 . 3 .]" 1
543 1 63 GLN H 1 63 GLN HG3 4.000 . 5.000 3.583 3.483 3.663 . 0 0 "[ . 1 . 2 . 3 .]" 1
544 1 63 GLN H 1 63 GLN QG 2.500 . 3.100 2.293 2.100 3.152 0.052 15 0 "[ . 1 . 2 . 3 .]" 1
545 1 63 GLN H 1 64 ASP HA 4.000 . 5.200 5.297 5.261 5.349 0.149 1 0 "[ . 1 . 2 . 3 .]" 1
546 1 63 GLN QG 1 64 ASP H 4.000 . 5.000 2.397 2.237 2.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
547 1 63 GLN QB 1 64 ASP H 3.000 . 4.100 3.641 3.570 3.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
548 1 63 GLN HA 1 64 ASP H 4.000 . 5.000 3.480 3.448 3.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
549 1 63 GLN H 1 64 ASP H 4.000 . 5.000 2.717 2.663 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
550 1 63 GLN H 1 65 VAL H 4.000 . 5.000 4.444 4.324 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
551 1 63 GLN QG 1 66 ALA H 4.000 . 6.000 5.188 5.044 5.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
552 1 63 GLN HA 1 66 ALA H 4.000 . 5.000 3.196 3.038 3.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
553 1 63 GLN HA 1 67 SER H 3.000 . 3.500 3.540 3.449 3.689 0.189 19 0 "[ . 1 . 2 . 3 .]" 1
554 1 64 ASP H 1 64 ASP HB3 3.000 . 3.500 2.721 2.675 2.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
555 1 64 ASP H 1 64 ASP HA 2.500 . 2.900 2.861 2.849 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
556 1 64 ASP H 1 64 ASP HB2 3.000 . 3.500 3.607 3.586 3.622 0.122 1 0 "[ . 1 . 2 . 3 .]" 1
557 1 64 ASP HB3 1 65 VAL H 4.000 . 5.000 4.010 3.919 4.072 . 0 0 "[ . 1 . 2 . 3 .]" 1
558 1 64 ASP H 1 65 VAL MG2 4.000 . 5.500 3.833 3.585 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
559 1 64 ASP HA 1 65 VAL H 4.000 . 5.000 3.544 3.514 3.560 . 0 0 "[ . 1 . 2 . 3 .]" 1
560 1 64 ASP H 1 65 VAL H 2.500 . 2.900 2.627 2.547 2.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
561 1 64 ASP H 1 66 ALA H 4.000 . 5.000 4.163 4.070 4.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
562 1 64 ASP HA 1 67 SER H 4.000 . 5.000 3.666 3.564 3.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
563 1 64 ASP H 1 67 SER H 2.500 . 4.500 4.606 4.522 4.672 0.172 19 0 "[ . 1 . 2 . 3 .]" 1
564 1 65 VAL H 1 65 VAL MG1 3.000 . 4.300 3.761 3.721 3.786 . 0 0 "[ . 1 . 2 . 3 .]" 1
565 1 65 VAL H 1 65 VAL HB 2.500 . 2.900 2.670 2.604 2.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
566 1 65 VAL H 1 65 VAL MG2 2.500 . 3.200 2.018 1.805 2.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
567 1 65 VAL H 1 65 VAL HA 2.500 . 2.900 2.889 2.873 2.906 0.006 19 0 "[ . 1 . 2 . 3 .]" 1
568 1 65 VAL MG2 1 66 ALA H 4.000 . 5.500 3.547 3.424 3.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
569 1 65 VAL HB 1 66 ALA H 3.000 . 3.500 2.428 2.336 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
570 1 65 VAL HA 1 66 ALA H 4.000 . 5.000 3.559 3.541 3.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
571 1 65 VAL MG1 1 66 ALA H 4.000 . 5.500 3.605 3.529 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
572 1 65 VAL H 1 66 ALA H 2.500 . 2.900 2.583 2.502 2.668 . 0 0 "[ . 1 . 2 . 3 .]" 1
573 1 65 VAL H 1 67 SER H 4.000 . 5.000 4.050 3.969 4.125 . 0 0 "[ . 1 . 2 . 3 .]" 1
574 1 66 ALA HA 1 67 SER H 4.000 . 5.000 3.560 3.541 3.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
575 1 66 ALA H 1 67 SER H 4.000 . 5.000 2.653 2.594 2.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
576 1 66 ALA MB 1 67 SER H 4.000 . 5.500 2.608 2.524 2.672 . 0 0 "[ . 1 . 2 . 3 .]" 1
577 1 66 ALA H 1 69 ALA H 4.000 . 5.000 4.959 4.753 5.089 0.089 32 0 "[ . 1 . 2 . 3 .]" 1
578 1 67 SER H 1 67 SER QB 3.000 . 3.500 2.480 2.429 2.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
579 1 67 SER HA 1 68 GLU H 4.000 . 5.000 3.525 3.498 3.557 . 0 0 "[ . 1 . 2 . 3 .]" 1
580 1 67 SER QB 1 68 GLU H 3.000 . 3.500 3.443 3.382 3.510 0.010 32 0 "[ . 1 . 2 . 3 .]" 1
581 1 67 SER H 1 68 GLU H 4.000 . 5.000 2.681 2.609 2.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
582 1 67 SER HA 1 70 GLU H 4.000 . 5.000 3.293 3.095 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
583 1 68 GLU H 1 68 GLU QB 2.500 . 2.900 2.263 2.249 2.277 . 0 0 "[ . 1 . 2 . 3 .]" 1
584 1 68 GLU H 1 68 GLU QG 4.000 . 5.000 3.999 3.957 4.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
585 1 68 GLU H 1 68 GLU HA 2.500 . 2.900 2.861 2.845 2.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
586 1 68 GLU H 1 69 ALA HA 4.000 . 5.300 5.324 5.268 5.351 0.051 28 0 "[ . 1 . 2 . 3 .]" 1
587 1 68 GLU H 1 69 ALA H 3.000 . 3.500 2.650 2.576 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
588 1 68 GLU HA 1 70 GLU H 4.000 . 5.000 3.889 3.747 4.012 . 0 0 "[ . 1 . 2 . 3 .]" 1
589 1 69 ALA H 1 70 GLU H 2.500 . 2.900 2.536 2.474 2.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
590 1 69 ALA MB 1 70 GLU H 4.000 . 5.500 3.279 3.230 3.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
591 1 69 ALA HA 1 70 GLU H 4.000 . 5.000 3.320 3.271 3.364 . 0 0 "[ . 1 . 2 . 3 .]" 1
592 1 69 ALA HA 1 71 VAL H 4.000 . 5.000 5.061 5.001 5.134 0.134 33 0 "[ . 1 . 2 . 3 .]" 1
593 1 69 ALA HA 1 78 GLN QE 4.000 . 5.000 4.115 3.827 4.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
594 1 69 ALA MB 1 78 GLN QE 4.000 . 5.500 1.787 1.714 1.991 0.086 21 0 "[ . 1 . 2 . 3 .]" 1
595 1 70 GLU H 1 70 GLU QG 4.000 . 5.000 2.995 2.663 3.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
596 1 70 GLU H 1 70 GLU QB 3.000 . 3.500 3.343 3.273 3.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
597 1 70 GLU H 1 70 GLU HA 2.500 . 2.900 2.349 2.341 2.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
598 1 70 GLU HA 1 71 VAL H 3.000 . 3.500 2.745 2.714 2.763 . 0 0 "[ . 1 . 2 . 3 .]" 1
599 1 70 GLU H 1 71 VAL H 4.000 . 5.000 2.918 2.862 2.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
600 1 70 GLU HA 1 72 LYS H 4.000 . 6.000 5.879 5.799 5.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
601 1 71 VAL H 1 71 VAL HB 3.000 . 3.500 2.648 2.606 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
602 1 71 VAL H 1 71 VAL MG2 3.000 . 3.800 2.000 1.902 2.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
603 1 71 VAL H 1 71 VAL MG1 4.000 . 5.500 3.778 3.766 3.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
604 1 71 VAL HB 1 72 LYS H 4.000 . 5.000 4.080 4.021 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
605 1 71 VAL MG1 1 72 LYS H 4.000 . 5.500 2.590 2.510 2.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
606 1 71 VAL HA 1 72 LYS H 2.500 . 2.900 2.195 2.159 2.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
607 1 71 VAL HB 1 73 ALA H 4.000 . 5.000 4.223 4.129 4.291 . 0 0 "[ . 1 . 2 . 3 .]" 1
608 1 71 VAL HA 1 73 ALA H 4.000 . 5.000 3.689 3.611 3.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
609 1 71 VAL MG1 1 73 ALA H 3.000 . 3.800 2.012 1.905 2.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
610 1 71 VAL H 1 78 GLN QE 4.000 . 5.000 4.979 4.772 5.092 0.092 34 0 "[ . 1 . 2 . 3 .]" 1
611 1 72 LYS H 1 72 LYS QG 4.000 . 5.000 2.563 2.487 2.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
612 1 72 LYS H 1 72 LYS HB2 4.000 . 5.000 2.495 2.449 2.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
613 1 72 LYS HB3 1 73 ALA H 4.000 . 5.000 4.172 4.108 4.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
614 1 72 LYS HB2 1 73 ALA H 4.000 . 5.000 3.294 3.198 3.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
615 1 72 LYS HA 1 73 ALA H 4.000 . 5.000 3.420 3.395 3.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
616 1 72 LYS H 1 73 ALA H 3.000 . 3.500 2.189 2.093 2.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
617 1 73 ALA H 1 74 THR HA 4.000 . 5.000 4.752 4.721 4.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
618 1 73 ALA MB 1 74 THR H 4.000 . 5.500 2.667 2.594 2.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
619 1 73 ALA HA 1 74 THR H 3.000 . 3.500 2.333 2.298 2.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
620 1 73 ALA H 1 74 THR H 4.000 . 5.000 4.379 4.354 4.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
621 1 74 THR H 1 74 THR MG 4.000 . 5.500 2.609 2.532 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
622 1 75 PRO HA 1 76 THR H 4.000 . 5.000 2.225 2.198 2.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
623 1 75 PRO QG 1 92 ALA H 3.000 . 3.800 3.852 3.704 3.955 0.155 21 0 "[ . 1 . 2 . 3 .]" 1
624 1 76 THR H 1 76 THR HB 4.000 . 5.000 2.732 2.691 2.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
625 1 76 THR H 1 77 PHE H 4.000 . 5.000 4.335 4.292 4.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
626 1 76 THR MG 1 78 GLN QE 4.000 . 5.500 2.834 2.575 3.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
627 1 76 THR HA 1 91 GLY H 4.000 . 5.000 3.795 3.685 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
628 1 77 PHE H 1 77 PHE HB3 4.000 . 5.000 3.723 3.686 3.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
629 1 77 PHE H 1 77 PHE QD 4.000 . 5.000 2.513 2.339 2.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
630 1 77 PHE H 1 78 GLN H 4.000 . 5.000 4.454 4.412 4.489 . 0 0 "[ . 1 . 2 . 3 .]" 1
631 1 77 PHE HA 1 78 GLN H 2.500 . 2.900 2.210 2.181 2.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
632 1 77 PHE H 1 89 PHE HZ 4.000 . 5.300 5.239 5.062 5.369 0.069 13 0 "[ . 1 . 2 . 3 .]" 1
633 1 77 PHE H 1 90 SER HA 4.000 . 5.000 3.303 3.168 3.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
634 1 77 PHE H 1 91 GLY H 4.000 . 5.000 5.192 5.107 5.248 0.248 28 0 "[ . 1 . 2 . 3 .]" 1
635 1 78 GLN HB2 1 78 GLN QE 4.000 . 5.000 3.868 3.570 4.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
636 1 78 GLN H 1 78 GLN HB2 2.500 . 2.900 2.582 2.550 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
637 1 78 GLN H 1 78 GLN QG 3.000 . 3.500 3.019 2.897 3.067 . 0 0 "[ . 1 . 2 . 3 .]" 1
638 1 78 GLN H 1 78 GLN HB3 4.000 . 5.000 3.768 3.745 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
639 1 78 GLN H 1 79 PHE QD 4.000 . 5.000 4.790 4.708 4.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
640 1 78 GLN H 1 79 PHE HE1 4.000 . 5.000 5.091 5.036 5.143 0.143 26 0 "[ . 1 . 2 . 3 .]" 1
641 1 78 GLN HB3 1 79 PHE H 4.000 . 5.000 3.025 2.921 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
642 1 78 GLN HA 1 79 PHE H 3.000 . 3.500 2.186 2.162 2.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
643 1 78 GLN H 1 80 PHE QE 4.000 . 5.000 4.655 4.522 4.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
644 1 78 GLN H 1 80 PHE QD 4.000 . 5.000 5.201 5.152 5.254 0.254 31 0 "[ . 1 . 2 . 3 .]" 1
645 1 79 PHE H 1 79 PHE QD 3.000 . 3.500 2.260 2.190 2.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
646 1 79 PHE H 1 79 PHE HB2 4.000 . 5.000 2.461 2.432 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
647 1 79 PHE H 1 79 PHE HB3 4.000 . 5.000 3.688 3.671 3.706 . 0 0 "[ . 1 . 2 . 3 .]" 1
648 1 79 PHE HA 1 80 PHE H 2.500 . 2.900 2.153 2.124 2.182 . 0 0 "[ . 1 . 2 . 3 .]" 1
649 1 79 PHE H 1 85 LYS QG 4.000 . 5.000 3.419 3.222 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
650 1 79 PHE H 1 86 VAL MG2 4.000 . 5.500 4.428 4.098 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
651 1 79 PHE HB2 1 86 VAL H 4.000 . 5.000 3.439 3.321 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
652 1 79 PHE HB3 1 87 GLY H 4.000 . 5.000 4.472 4.234 4.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
653 1 79 PHE QD 1 87 GLY H 4.000 . 5.000 4.308 4.167 4.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
654 1 79 PHE HB2 1 87 GLY H 3.000 . 3.500 3.032 2.851 3.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
655 1 79 PHE H 1 87 GLY H 4.000 . 5.000 3.382 3.178 3.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
656 1 79 PHE H 1 88 GLU HB3 4.000 . 5.000 4.990 3.480 5.170 0.170 30 0 "[ . 1 . 2 . 3 .]" 1
657 1 79 PHE H 1 88 GLU HA 4.000 . 5.000 3.316 3.214 3.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
658 1 79 PHE QE 1 88 GLU H 4.000 . 5.000 4.878 4.743 5.053 0.053 21 0 "[ . 1 . 2 . 3 .]" 1
659 1 79 PHE H 1 89 PHE H 4.000 . 5.200 5.395 5.318 5.470 0.270 22 0 "[ . 1 . 2 . 3 .]" 1
660 1 79 PHE HZ 1 101 ILE H 4.000 . 5.000 4.427 4.205 4.567 . 0 0 "[ . 1 . 2 . 3 .]" 1
661 1 79 PHE QE 1 101 ILE H 4.000 . 5.000 3.804 3.616 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
662 1 80 PHE H 1 80 PHE HB2 4.000 . 5.000 2.592 2.533 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
663 1 80 PHE H 1 80 PHE HB3 4.000 . 5.000 3.763 3.729 3.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
664 1 80 PHE H 1 80 PHE QD 4.000 . 5.000 2.982 2.866 3.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
665 1 80 PHE QD 1 81 LYS H 4.000 . 5.000 3.724 3.600 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
666 1 80 PHE HB2 1 81 LYS H 4.000 . 5.000 4.049 3.974 4.120 . 0 0 "[ . 1 . 2 . 3 .]" 1
667 1 80 PHE HB3 1 81 LYS H 4.000 . 5.000 2.913 2.825 3.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
668 1 80 PHE HA 1 81 LYS H 2.500 . 2.900 2.266 2.225 2.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
669 1 80 PHE QD 1 83 GLY H 4.000 . 5.000 4.899 4.726 5.005 0.005 14 0 "[ . 1 . 2 . 3 .]" 1
670 1 80 PHE HA 1 84 GLN H 4.000 . 5.000 4.084 3.932 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
671 1 80 PHE QD 1 84 GLN H 4.000 . 5.000 3.838 3.662 3.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
672 1 80 PHE HB3 1 84 GLN H 4.000 . 5.000 3.638 3.454 3.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
673 1 80 PHE QE 1 85 LYS H 4.000 . 5.000 3.849 3.594 4.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
674 1 80 PHE HA 1 85 LYS H 4.000 . 5.000 4.449 4.378 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
675 1 80 PHE QD 1 85 LYS H 4.000 . 5.000 3.487 3.240 3.712 . 0 0 "[ . 1 . 2 . 3 .]" 1
676 1 80 PHE QD 1 86 VAL H 4.000 . 5.000 4.816 4.658 4.967 . 0 0 "[ . 1 . 2 . 3 .]" 1
677 1 80 PHE H 1 86 VAL MG2 4.000 . 5.000 4.009 3.627 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
678 1 80 PHE HA 1 86 VAL H 4.000 . 5.000 3.029 2.825 3.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
679 1 80 PHE HA 1 87 GLY H 4.000 . 5.000 4.893 4.713 4.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
680 1 81 LYS H 1 81 LYS QG 4.000 . 5.000 4.195 4.155 4.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
681 1 81 LYS QG 1 82 LYS H 2.500 . 3.200 2.799 2.527 2.982 . 0 0 "[ . 1 . 2 . 3 .]" 1
682 1 81 LYS H 1 82 LYS H 4.000 . 5.000 4.162 4.097 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
683 1 81 LYS QB 1 82 LYS H 3.000 . 4.000 3.777 3.707 3.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
684 1 81 LYS HA 1 82 LYS H 2.500 . 2.900 2.207 2.177 2.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
685 1 81 LYS QB 1 83 GLY H 4.000 . 5.000 4.751 4.587 4.887 . 0 0 "[ . 1 . 2 . 3 .]" 1
686 1 81 LYS H 1 83 GLY H 4.000 . 5.000 3.580 3.384 3.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
687 1 81 LYS QG 1 83 GLY H 4.000 . 5.000 4.810 4.621 5.057 0.057 17 0 "[ . 1 . 2 . 3 .]" 1
688 1 81 LYS HA 1 83 GLY H 4.000 . 5.000 3.561 3.376 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
689 1 81 LYS QG 1 84 GLN H 4.000 . 5.700 4.950 4.759 5.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
690 1 81 LYS H 1 84 GLN QE 4.000 . 5.000 5.172 5.016 5.299 0.299 11 0 "[ . 1 . 2 . 3 .]" 1
691 1 81 LYS H 1 84 GLN HB2 4.000 . 5.000 3.424 3.208 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
692 1 81 LYS H 1 84 GLN H 3.000 . 3.500 2.314 2.205 2.495 . 0 0 "[ . 1 . 2 . 3 .]" 1
693 1 81 LYS H 1 85 LYS H 4.000 . 5.000 4.699 4.599 4.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
694 1 81 LYS H 1 85 LYS HA 4.000 . 5.000 3.796 3.693 3.864 . 0 0 "[ . 1 . 2 . 3 .]" 1
695 1 81 LYS H 1 86 VAL MG2 4.000 . 5.000 3.516 3.173 3.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
696 1 81 LYS H 1 86 VAL MG1 3.000 . 4.000 3.434 3.140 3.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
697 1 82 LYS H 1 82 LYS QD 4.000 . 5.000 4.736 4.446 4.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
698 1 82 LYS H 1 82 LYS QG 2.500 . 2.900 2.800 2.573 2.894 . 0 0 "[ . 1 . 2 . 3 .]" 1
699 1 82 LYS H 1 82 LYS HB3 4.000 . 5.000 4.119 4.079 4.150 . 0 0 "[ . 1 . 2 . 3 .]" 1
700 1 82 LYS H 1 82 LYS HA 2.500 . 2.900 2.346 2.338 2.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
701 1 82 LYS QG 1 83 GLY H 4.000 . 5.000 4.474 4.376 4.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
702 1 82 LYS HB3 1 83 GLY H 4.000 . 5.000 4.464 4.442 4.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
703 1 82 LYS HA 1 83 GLY H 2.500 . 3.200 2.968 2.860 3.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
704 1 82 LYS H 1 83 GLY H 3.000 . 3.500 2.677 2.568 2.805 . 0 0 "[ . 1 . 2 . 3 .]" 1
705 1 82 LYS HB2 1 84 GLN QE 4.000 . 6.000 4.777 3.116 6.082 0.082 10 0 "[ . 1 . 2 . 3 .]" 1
706 1 83 GLY H 1 83 GLY HA2 2.500 . 2.900 2.353 2.337 2.371 . 0 0 "[ . 1 . 2 . 3 .]" 1
707 1 83 GLY H 1 83 GLY HA3 2.500 . 2.900 2.907 2.880 2.933 0.033 31 0 "[ . 1 . 2 . 3 .]" 1
708 1 83 GLY HA2 1 84 GLN H 4.000 . 5.000 3.116 3.032 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
709 1 83 GLY H 1 84 GLN HA 4.000 . 5.000 5.211 5.155 5.285 0.285 17 0 "[ . 1 . 2 . 3 .]" 1
710 1 83 GLY H 1 84 GLN H 3.000 . 3.500 2.495 2.413 2.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
711 1 84 GLN HA 1 84 GLN QE 4.000 . 5.000 2.767 1.824 4.458 . 0 0 "[ . 1 . 2 . 3 .]" 1
712 1 84 GLN H 1 84 GLN QE 4.000 . 5.000 3.962 3.107 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
713 1 84 GLN H 1 84 GLN HB3 4.000 . 5.000 3.784 3.752 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
714 1 84 GLN H 1 84 GLN HA 2.500 . 2.900 2.994 2.983 3.001 0.101 6 0 "[ . 1 . 2 . 3 .]" 1
715 1 84 GLN HB3 1 84 GLN QE 4.000 . 5.000 2.588 1.756 3.415 0.044 3 0 "[ . 1 . 2 . 3 .]" 1
716 1 84 GLN QE 1 84 GLN QG 2.500 . 2.900 2.634 2.367 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
717 1 84 GLN H 1 84 GLN HB2 2.500 . 2.900 2.623 2.557 2.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
718 1 84 GLN H 1 84 GLN QG 2.500 . 3.200 2.890 2.537 3.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
719 1 84 GLN QG 1 85 LYS H 4.000 . 5.000 4.375 3.911 4.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
720 1 84 GLN HA 1 85 LYS H 2.500 . 2.900 2.227 2.170 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
721 1 84 GLN H 1 85 LYS H 4.000 . 5.000 4.457 4.371 4.499 . 0 0 "[ . 1 . 2 . 3 .]" 1
722 1 84 GLN HB3 1 85 LYS H 3.000 . 3.500 3.125 2.961 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
723 1 84 GLN H 1 86 VAL MG1 4.000 . 5.000 4.542 4.403 4.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
724 1 84 GLN QE 1 86 VAL MG1 4.000 . 5.500 4.577 3.682 5.596 0.096 1 0 "[ . 1 . 2 . 3 .]" 1
725 1 85 LYS H 1 85 LYS QG 4.000 . 5.000 3.999 3.973 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
726 1 85 LYS H 1 85 LYS HB2 2.500 . 2.900 2.619 2.571 2.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
727 1 85 LYS H 1 85 LYS HB3 2.500 . 2.900 2.534 2.460 2.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
728 1 85 LYS H 1 85 LYS HA 3.000 . 3.500 2.937 2.921 2.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
729 1 85 LYS HA 1 86 VAL H 2.500 . 2.900 2.189 2.167 2.211 . 0 0 "[ . 1 . 2 . 3 .]" 1
730 1 85 LYS H 1 86 VAL H 4.000 . 5.000 4.535 4.474 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
731 1 85 LYS HA 1 87 GLY H 3.000 . 3.500 3.625 3.574 3.682 0.182 27 0 "[ . 1 . 2 . 3 .]" 1
732 1 85 LYS QG 1 87 GLY H 2.500 . 2.900 2.206 1.852 2.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
733 1 86 VAL H 1 86 VAL HB 4.000 . 5.000 3.766 3.730 3.797 . 0 0 "[ . 1 . 2 . 3 .]" 1
734 1 86 VAL H 1 86 VAL MG2 2.500 . 3.200 1.989 1.910 2.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
735 1 86 VAL H 1 86 VAL MG1 4.000 . 5.500 2.917 2.824 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
736 1 86 VAL HB 1 87 GLY H 4.000 . 5.000 4.355 4.286 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
737 1 86 VAL HA 1 87 GLY H 3.000 . 3.500 3.253 3.162 3.348 . 0 0 "[ . 1 . 2 . 3 .]" 1
738 1 86 VAL MG2 1 87 GLY H 3.000 . 3.900 3.117 2.970 3.264 . 0 0 "[ . 1 . 2 . 3 .]" 1
739 1 86 VAL H 1 87 GLY H 3.000 . 3.500 2.201 2.070 2.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
740 1 87 GLY H 1 87 GLY HA2 2.500 . 2.900 2.851 2.778 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
741 1 87 GLY H 1 87 GLY HA3 2.500 . 2.900 2.861 2.834 2.918 0.018 13 0 "[ . 1 . 2 . 3 .]" 1
742 1 87 GLY H 1 88 GLU H 4.000 . 5.000 4.335 4.281 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
743 1 87 GLY H 1 104 LEU MD1 4.000 . 5.000 4.453 4.241 4.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
744 1 88 GLU H 1 89 PHE H 4.000 . 5.000 4.282 4.181 4.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
745 1 89 PHE HA 1 90 SER H 4.000 . 5.000 2.375 2.336 2.434 . 0 0 "[ . 1 . 2 . 3 .]" 1
746 1 89 PHE HZ 1 93 ASN H 4.000 . 5.000 5.049 4.942 5.156 0.156 22 0 "[ . 1 . 2 . 3 .]" 1
747 1 89 PHE QE 1 97 LEU H 4.000 . 5.000 4.349 4.275 4.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
748 1 89 PHE HZ 1 97 LEU H 4.000 . 5.000 3.433 3.370 3.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
749 1 89 PHE HZ 1 98 GLU H 4.000 . 5.500 5.719 5.658 5.817 0.317 8 0 "[ . 1 . 2 . 3 .]" 1
750 1 90 SER HB2 1 91 GLY H 4.000 . 5.000 2.497 2.324 2.551 . 0 0 "[ . 1 . 2 . 3 .]" 1
751 1 90 SER H 1 91 GLY H 4.000 . 5.000 4.488 4.459 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
752 1 90 SER HA 1 91 GLY H 3.000 . 3.500 2.356 2.320 2.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
753 1 91 GLY HA3 1 92 ALA H 4.000 . 5.000 3.056 3.001 3.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
754 1 91 GLY HA2 1 92 ALA H 4.000 . 5.000 2.254 2.227 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
755 1 91 GLY H 1 92 ALA HA 4.000 . 5.000 4.668 4.595 4.778 . 0 0 "[ . 1 . 2 . 3 .]" 1
756 1 92 ALA H 1 93 ASN H 4.000 . 5.000 3.752 3.678 3.846 . 0 0 "[ . 1 . 2 . 3 .]" 1
757 1 92 ALA MB 1 93 ASN H 4.000 . 5.500 3.735 3.702 3.752 . 0 0 "[ . 1 . 2 . 3 .]" 1
758 1 92 ALA HA 1 93 ASN H 3.000 . 3.500 2.564 2.518 2.601 . 0 0 "[ . 1 . 2 . 3 .]" 1
759 1 92 ALA HA 1 94 LYS H 4.000 . 5.000 4.972 4.788 5.089 0.089 30 0 "[ . 1 . 2 . 3 .]" 1
760 1 93 ASN H 1 93 ASN HB3 4.000 . 5.000 2.723 2.673 2.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
761 1 93 ASN H 1 93 ASN HB2 4.000 . 5.000 2.984 2.920 3.071 . 0 0 "[ . 1 . 2 . 3 .]" 1
762 1 93 ASN QD 1 94 LYS H 4.000 . 5.000 3.223 2.418 5.071 0.071 18 0 "[ . 1 . 2 . 3 .]" 1
763 1 93 ASN H 1 94 LYS QD 4.000 . 5.000 5.112 4.927 5.195 0.195 9 0 "[ . 1 . 2 . 3 .]" 1
764 1 93 ASN H 1 94 LYS H 4.000 . 5.000 3.958 3.843 4.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
765 1 93 ASN QD 1 94 LYS QD 4.000 . 5.000 4.180 3.476 5.215 0.215 32 0 "[ . 1 . 2 . 3 .]" 1
766 1 93 ASN QD 1 95 GLU H 4.000 . 5.000 2.804 2.085 4.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
767 1 93 ASN HA 1 95 GLU H 4.000 . 5.000 3.667 3.593 3.835 . 0 0 "[ . 1 . 2 . 3 .]" 1
768 1 93 ASN QD 1 96 LYS HB3 4.000 . 5.000 4.578 4.206 5.082 0.082 17 0 "[ . 1 . 2 . 3 .]" 1
769 1 93 ASN QD 1 96 LYS HB2 4.000 . 5.000 3.570 3.330 3.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
770 1 93 ASN H 1 96 LYS HB3 4.000 . 5.000 4.614 4.460 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
771 1 93 ASN H 1 96 LYS HB2 4.000 . 5.000 4.953 4.811 5.049 0.049 21 0 "[ . 1 . 2 . 3 .]" 1
772 1 93 ASN QD 1 96 LYS H 4.000 . 5.000 3.056 2.542 3.852 . 0 0 "[ . 1 . 2 . 3 .]" 1
773 1 93 ASN HA 1 96 LYS H 4.000 . 5.000 4.235 4.171 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
774 1 93 ASN HB3 1 96 LYS H 4.000 . 5.000 3.416 3.317 3.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
775 1 93 ASN QD 1 97 LEU H 4.000 . 6.000 5.273 4.698 6.153 0.153 28 0 "[ . 1 . 2 . 3 .]" 1
776 1 94 LYS H 1 94 LYS HB3 3.000 . 3.500 2.700 2.457 2.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
777 1 94 LYS H 1 94 LYS QG 4.000 . 5.000 2.242 2.139 3.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
778 1 94 LYS H 1 95 GLU HB2 4.000 . 5.000 4.932 4.829 5.033 0.033 14 0 "[ . 1 . 2 . 3 .]" 1
779 1 94 LYS QD 1 95 GLU H 4.000 . 5.000 3.591 2.011 3.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
780 1 94 LYS HB2 1 95 GLU H 4.000 . 5.000 3.716 3.592 3.959 . 0 0 "[ . 1 . 2 . 3 .]" 1
781 1 94 LYS HA 1 95 GLU H 4.000 . 5.000 3.552 3.533 3.574 . 0 0 "[ . 1 . 2 . 3 .]" 1
782 1 94 LYS H 1 95 GLU H 4.000 . 5.000 2.682 2.624 2.749 . 0 0 "[ . 1 . 2 . 3 .]" 1
783 1 94 LYS HA 1 97 LEU H 4.000 . 5.000 3.459 3.343 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
784 1 95 GLU H 1 95 GLU HB2 4.000 . 5.000 2.506 2.453 2.545 . 0 0 "[ . 1 . 2 . 3 .]" 1
785 1 95 GLU H 1 95 GLU QG 4.000 . 5.000 2.114 1.970 2.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
786 1 95 GLU H 1 95 GLU HB3 3.000 . 3.500 3.606 3.590 3.627 0.127 14 0 "[ . 1 . 2 . 3 .]" 1
787 1 95 GLU H 1 95 GLU HA 3.000 . 3.500 2.859 2.842 2.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
788 1 95 GLU QG 1 96 LYS H 4.000 . 5.000 4.060 3.968 4.456 . 0 0 "[ . 1 . 2 . 3 .]" 1
789 1 95 GLU HB2 1 96 LYS H 4.000 . 5.000 2.825 2.730 2.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
790 1 95 GLU H 1 96 LYS QB 4.000 . 5.000 4.283 4.236 4.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
791 1 95 GLU H 1 96 LYS H 4.000 . 5.000 2.587 2.549 2.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
792 1 95 GLU HA 1 98 GLU H 3.000 . 3.500 3.335 3.218 3.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
793 1 95 GLU H 1 98 GLU H 4.000 . 5.200 5.191 5.103 5.249 0.049 29 0 "[ . 1 . 2 . 3 .]" 1
794 1 96 LYS H 1 96 LYS HB3 3.000 . 3.500 2.647 2.610 2.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
795 1 96 LYS H 1 96 LYS HA 3.000 . 3.500 2.840 2.832 2.854 . 0 0 "[ . 1 . 2 . 3 .]" 1
796 1 96 LYS HB2 1 97 LEU H 4.000 . 5.000 3.779 3.718 3.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
797 1 96 LYS HA 1 97 LEU H 4.000 . 5.000 3.525 3.507 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
798 1 96 LYS QG 1 97 LEU H 4.000 . 5.000 3.898 3.808 4.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
799 1 96 LYS HB3 1 97 LEU H 4.000 . 5.000 2.657 2.552 2.756 . 0 0 "[ . 1 . 2 . 3 .]" 1
800 1 96 LYS H 1 97 LEU H 4.000 . 5.000 2.658 2.604 2.694 . 0 0 "[ . 1 . 2 . 3 .]" 1
801 1 96 LYS QG 1 98 GLU H 4.000 . 5.800 5.232 5.179 5.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
802 1 96 LYS HB2 1 98 GLU H 4.000 . 5.300 5.635 5.559 5.686 0.386 23 0 "[ . 1 . 2 . 3 .]" 1
803 1 96 LYS HA 1 98 GLU H 4.000 . 5.000 4.158 4.075 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
804 1 96 LYS H 1 99 ALA H 4.000 . 5.000 5.064 5.008 5.128 0.128 21 0 "[ . 1 . 2 . 3 .]" 1
805 1 96 LYS HA 1 99 ALA H 4.000 . 5.000 3.341 3.208 3.410 . 0 0 "[ . 1 . 2 . 3 .]" 1
806 1 97 LEU H 1 97 LEU MD1 4.000 . 5.500 3.431 3.310 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
807 1 97 LEU H 1 97 LEU HB3 3.000 . 3.500 3.589 3.558 3.604 0.104 3 0 "[ . 1 . 2 . 3 .]" 1
808 1 97 LEU H 1 97 LEU HB2 3.000 . 3.500 2.377 2.305 2.422 . 0 0 "[ . 1 . 2 . 3 .]" 1
809 1 97 LEU H 1 97 LEU HA 3.000 . 3.500 2.843 2.829 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
810 1 97 LEU HB3 1 98 GLU H 3.000 . 3.500 3.452 3.405 3.507 0.007 9 0 "[ . 1 . 2 . 3 .]" 1
811 1 97 LEU MD2 1 98 GLU H 4.000 . 5.700 4.678 4.644 4.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
812 1 97 LEU H 1 98 GLU H 2.500 . 2.900 2.622 2.591 2.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
813 1 97 LEU HB3 1 99 ALA H 4.000 . 5.500 5.575 5.524 5.647 0.147 20 0 "[ . 1 . 2 . 3 .]" 1
814 1 97 LEU H 1 99 ALA H 4.000 . 5.000 4.323 4.248 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
815 1 98 GLU H 1 98 GLU QB 2.500 . 2.900 2.274 2.248 2.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
816 1 98 GLU H 1 98 GLU HA 3.000 . 3.500 2.857 2.844 2.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
817 1 98 GLU H 1 99 ALA MB 4.000 . 5.200 4.496 4.452 4.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
818 1 98 GLU QG 1 99 ALA H 4.000 . 5.000 3.769 3.559 4.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
819 1 98 GLU HA 1 99 ALA H 4.000 . 5.000 3.567 3.555 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
820 1 98 GLU QB 1 99 ALA H 2.500 . 3.100 2.525 2.470 2.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
821 1 98 GLU H 1 99 ALA H 2.500 . 2.900 2.786 2.750 2.833 . 0 0 "[ . 1 . 2 . 3 .]" 1
822 1 98 GLU H 1 100 THR H 4.000 . 5.000 4.402 4.308 4.524 . 0 0 "[ . 1 . 2 . 3 .]" 1
823 1 98 GLU HA 1 101 ILE H 4.000 . 5.000 3.822 3.673 3.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
824 1 98 GLU H 1 101 ILE MD 4.000 . 5.000 3.968 3.843 4.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
825 1 98 GLU H 1 101 ILE H 4.000 . 5.000 4.913 4.740 5.035 0.035 5 0 "[ . 1 . 2 . 3 .]" 1
826 1 98 GLU QG 1 102 ASN H 4.000 . 5.000 4.346 3.882 4.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
827 1 98 GLU QG 1 102 ASN QD 4.000 . 5.000 4.807 4.480 5.210 0.210 10 0 "[ . 1 . 2 . 3 .]" 1
828 1 99 ALA H 1 99 ALA MB 2.500 . 3.200 2.257 2.222 2.275 . 0 0 "[ . 1 . 2 . 3 .]" 1
829 1 99 ALA HA 1 100 THR H 4.000 . 5.000 3.578 3.566 3.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
830 1 99 ALA MB 1 100 THR H 2.500 . 3.200 2.495 2.454 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
831 1 99 ALA H 1 100 THR H 3.000 . 3.500 2.747 2.694 2.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
832 1 99 ALA HA 1 101 ILE H 4.000 . 5.000 4.461 4.392 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
833 1 99 ALA HA 1 102 ASN H 4.000 . 5.000 3.592 3.364 3.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
834 1 99 ALA HA 1 102 ASN QD 4.000 . 5.000 5.034 4.185 5.337 0.337 10 0 "[ . 1 . 2 . 3 .]" 1
835 1 100 THR H 1 100 THR MG 4.000 . 5.500 3.768 3.751 3.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
836 1 100 THR H 1 100 THR HA 3.000 . 3.500 2.863 2.841 2.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
837 1 100 THR H 1 100 THR HB 3.000 . 3.500 2.677 2.623 2.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
838 1 100 THR HB 1 101 ILE H 4.000 . 5.000 2.651 2.585 2.768 . 0 0 "[ . 1 . 2 . 3 .]" 1
839 1 100 THR H 1 101 ILE H 4.000 . 5.000 2.689 2.617 2.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
840 1 100 THR H 1 102 ASN H 4.000 . 5.000 4.288 4.080 4.425 . 0 0 "[ . 1 . 2 . 3 .]" 1
841 1 100 THR MG 1 103 GLU H 4.000 . 5.500 4.469 4.362 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
842 1 100 THR H 1 103 GLU H 4.000 . 5.000 4.550 4.411 4.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
843 1 100 THR HA 1 103 GLU H 3.000 . 3.500 3.248 3.086 3.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
844 1 100 THR HA 1 104 LEU H 4.000 . 5.000 4.061 3.977 4.140 . 0 0 "[ . 1 . 2 . 3 .]" 1
845 1 101 ILE H 1 101 ILE QG 4.000 . 5.500 2.302 2.246 2.350 . 0 0 "[ . 1 . 2 . 3 .]" 1
846 1 101 ILE H 1 101 ILE MG 4.000 . 5.500 3.762 3.748 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
847 1 101 ILE H 1 101 ILE HB 3.000 . 3.500 2.411 2.381 2.428 . 0 0 "[ . 1 . 2 . 3 .]" 1
848 1 101 ILE MD 1 102 ASN H 4.000 . 5.500 4.213 4.158 4.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
849 1 101 ILE QG 1 102 ASN H 4.000 . 5.000 4.065 3.994 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
850 1 101 ILE H 1 102 ASN H 2.500 . 2.900 2.696 2.559 2.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
851 1 101 ILE MG 1 102 ASN H 4.000 . 5.500 3.088 2.990 3.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
852 1 101 ILE HB 1 102 ASN H 3.000 . 3.500 2.386 2.345 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
853 1 101 ILE H 1 103 GLU HB2 4.000 . 5.000 5.250 5.191 5.309 0.309 19 0 "[ . 1 . 2 . 3 .]" 1
854 1 101 ILE H 1 103 GLU H 4.000 . 5.000 3.825 3.744 3.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
855 1 101 ILE HA 1 104 LEU H 4.000 . 5.000 3.381 3.289 3.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
856 1 102 ASN H 1 102 ASN QD 4.000 . 5.000 4.485 4.192 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
857 1 102 ASN H 1 102 ASN QB 2.500 . 2.900 2.260 2.211 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
858 1 102 ASN H 1 102 ASN HA 3.000 . 3.500 2.848 2.839 2.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
859 1 102 ASN H 1 103 GLU HB2 4.000 . 5.000 4.772 4.692 4.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
860 1 102 ASN QD 1 103 GLU H 4.000 . 6.500 5.049 4.222 5.282 . 0 0 "[ . 1 . 2 . 3 .]" 1
861 1 102 ASN H 1 103 GLU H 3.000 . 3.500 2.602 2.570 2.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
862 1 102 ASN QB 1 103 GLU H 3.000 . 3.500 2.619 2.564 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
863 1 102 ASN HA 1 103 GLU H 4.000 . 5.000 3.504 3.489 3.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
864 1 102 ASN H 1 105 VAL HB 4.000 . 5.000 4.517 4.456 4.600 . 0 0 "[ . 1 . 2 . 3 .]" 1
865 1 102 ASN HA 1 105 VAL H 4.000 . 5.000 3.350 3.291 3.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
866 1 103 GLU H 1 103 GLU HB3 2.500 . 2.900 2.631 2.604 2.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
867 1 103 GLU H 1 103 GLU HB2 2.500 . 2.900 2.381 2.303 2.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
868 1 103 GLU H 1 103 GLU QG 4.000 . 5.000 3.979 3.933 4.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
869 1 103 GLU H 1 103 GLU HA 2.500 . 2.900 2.864 2.856 2.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
870 1 103 GLU H 1 104 LEU HG 4.000 . 5.000 4.579 4.483 4.720 . 0 0 "[ . 1 . 2 . 3 .]" 1
871 1 103 GLU HB3 1 104 LEU H 4.000 . 5.000 2.564 2.500 2.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
872 1 103 GLU H 1 104 LEU HA 4.000 . 5.300 5.341 5.316 5.365 0.065 19 0 "[ . 1 . 2 . 3 .]" 1
873 1 103 GLU HB2 1 104 LEU H 4.000 . 5.000 3.772 3.734 3.821 . 0 0 "[ . 1 . 2 . 3 .]" 1
874 1 103 GLU HA 1 104 LEU H 4.000 . 5.000 3.566 3.550 3.580 . 0 0 "[ . 1 . 2 . 3 .]" 1
875 1 103 GLU H 1 104 LEU H 2.500 . 2.900 2.664 2.628 2.703 . 0 0 "[ . 1 . 2 . 3 .]" 1
876 1 103 GLU H 1 105 VAL H 4.000 . 5.000 3.838 3.806 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
877 1 104 LEU H 1 104 LEU HB2 2.500 . 2.900 2.473 2.415 2.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
878 1 104 LEU H 1 104 LEU MD1 3.000 . 4.100 3.696 3.594 3.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
879 1 104 LEU H 1 104 LEU MD2 3.000 . 4.000 3.689 3.534 3.830 . 0 0 "[ . 1 . 2 . 3 .]" 1
880 1 104 LEU H 1 104 LEU HB3 3.000 . 3.700 3.682 3.662 3.707 0.007 14 0 "[ . 1 . 2 . 3 .]" 1
881 1 104 LEU H 1 104 LEU HG 2.500 . 2.900 2.568 2.475 2.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
882 1 104 LEU H 1 104 LEU HA 3.000 . 3.500 2.979 2.971 2.987 . 0 0 "[ . 1 . 2 . 3 .]" 1
883 1 104 LEU HB3 1 105 VAL H 4.000 . 5.000 4.265 4.198 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
884 1 104 LEU HB2 1 105 VAL H 4.000 . 5.000 3.512 3.413 3.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
885 1 104 LEU H 1 105 VAL HB 4.000 . 5.000 4.439 4.391 4.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
886 1 104 LEU MD2 1 105 VAL H 4.000 . 5.700 4.797 4.695 4.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
887 1 104 LEU H 1 105 VAL MG1 4.000 . 5.500 4.268 4.198 4.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
888 1 104 LEU HA 1 105 VAL H 3.000 . 3.500 3.364 3.330 3.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
889 1 104 LEU H 1 105 VAL H 2.500 . 2.900 2.412 2.373 2.450 . 0 0 "[ . 1 . 2 . 3 .]" 1
890 1 105 VAL H 1 105 VAL MG2 4.000 . 5.500 3.785 3.769 3.800 . 0 0 "[ . 1 . 2 . 3 .]" 1
891 1 105 VAL H 1 105 VAL MG1 2.500 . 3.200 2.348 2.271 2.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
892 1 105 VAL H 1 105 VAL HB 2.500 . 2.900 2.466 2.422 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
893 1 105 VAL H 1 105 VAL HA 2.500 . 2.900 2.876 2.860 2.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
894 1 1 MET HA 1 2 VAL HA 4.000 . 5.000 4.454 4.432 4.538 . 0 0 "[ . 1 . 2 . 3 .]" 1
895 1 2 VAL HA 1 2 VAL HB 3.000 . 3.500 3.035 3.032 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
896 1 2 VAL HA 1 2 VAL MG2 2.500 . 3.200 2.302 2.239 2.383 . 0 0 "[ . 1 . 2 . 3 .]" 1
897 1 2 VAL HA 1 2 VAL MG1 2.500 . 3.200 2.375 2.329 2.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
898 1 2 VAL MG1 1 3 LYS HA 4.000 . 5.500 3.557 3.491 3.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
899 1 2 VAL HA 1 3 LYS HB3 4.000 . 5.000 4.639 4.554 4.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
900 1 2 VAL MG1 1 42 PHE HD2 3.000 . 4.500 4.371 3.887 4.601 0.101 32 0 "[ . 1 . 2 . 3 .]" 1
901 1 2 VAL MG2 1 43 HIS HA 3.000 . 3.800 2.730 2.202 3.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
902 1 2 VAL MG1 1 43 HIS HA 4.000 . 5.500 3.937 3.756 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
903 1 2 VAL MG2 1 43 HIS HD2 4.000 . 5.500 4.324 4.175 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
904 1 2 VAL HB 1 43 HIS HE1 4.000 . 5.000 3.062 2.602 3.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
905 1 2 VAL MG1 1 43 HIS HE1 4.000 . 5.500 3.529 3.063 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
906 1 2 VAL MG2 1 43 HIS QB 4.000 . 5.500 3.642 2.941 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
907 1 2 VAL MG2 1 46 SER HA 3.000 . 4.300 4.233 4.078 4.361 0.061 24 0 "[ . 1 . 2 . 3 .]" 1
908 1 2 VAL MG2 1 54 PHE HB3 4.000 . 5.500 3.743 3.063 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
909 1 2 VAL MG1 1 54 PHE HB2 4.000 . 5.500 3.726 3.302 4.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
910 1 2 VAL MG2 1 54 PHE HB2 3.000 . 3.800 2.836 2.337 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
911 1 2 VAL HA 1 54 PHE HB2 4.000 . 5.000 3.285 2.917 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
912 1 2 VAL MG2 1 54 PHE HD1 4.000 . 5.500 4.451 4.016 4.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
913 1 2 VAL MG1 1 55 LEU HA 4.000 . 5.500 3.582 2.946 4.228 . 0 0 "[ . 1 . 2 . 3 .]" 1
914 1 2 VAL MG1 1 56 GLU HG3 4.000 . 5.500 4.971 4.261 5.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
915 1 2 VAL MG1 1 56 GLU QB 3.000 . 4.200 2.947 2.307 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
916 1 2 VAL MG1 1 56 GLU HA 4.000 . 5.500 4.864 4.126 5.314 . 0 0 "[ . 1 . 2 . 3 .]" 1
917 1 3 LYS HA 1 3 LYS HB3 3.000 . 3.500 3.038 3.032 3.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
918 1 3 LYS HA 1 3 LYS QD 4.000 . 5.000 2.571 2.201 4.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
919 1 3 LYS QE 1 3 LYS QG . . 3.500 2.239 2.105 2.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
920 1 3 LYS HB3 1 3 LYS QE 4.000 . 5.000 4.177 2.464 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
921 1 3 LYS HB2 1 3 LYS QE 4.000 . 5.000 3.779 2.269 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
922 1 3 LYS HB2 1 3 LYS HD2 3.000 . 3.500 2.878 2.341 3.627 0.127 8 0 "[ . 1 . 2 . 3 .]" 1
923 1 3 LYS HA 1 3 LYS HB2 3.000 . 3.500 2.516 2.472 2.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
924 1 3 LYS HB2 1 3 LYS QD 2.500 . 2.900 2.276 2.222 2.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
925 1 3 LYS QG 1 4 GLN QG 4.000 . 6.000 5.238 5.157 5.326 . 0 0 "[ . 1 . 2 . 3 .]" 1
926 1 3 LYS HA 1 4 GLN QG 4.000 . 6.300 5.821 5.794 5.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
927 1 3 LYS HG3 1 5 ILE HA 4.000 . 5.000 4.489 4.113 5.231 0.231 24 0 "[ . 1 . 2 . 3 .]" 1
928 1 3 LYS QE 1 5 ILE MD 4.000 . 5.500 3.182 2.065 4.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
929 1 3 LYS QG 1 5 ILE QG 4.000 . 5.000 3.509 3.312 3.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
930 1 3 LYS QG 1 5 ILE MD 4.000 . 5.500 2.112 2.044 2.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
931 1 3 LYS QD 1 5 ILE MD 4.000 . 5.500 3.680 2.511 4.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
932 1 3 LYS HB3 1 5 ILE MD 4.000 . 5.500 3.381 3.232 3.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
933 1 3 LYS QG 1 10 ALA MB 3.000 . 5.100 4.483 4.189 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
934 1 3 LYS QD 1 14 ALA MB 4.000 . 5.500 4.131 2.130 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
935 1 3 LYS QE 1 14 ALA MB 4.000 . 5.500 3.630 2.128 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
936 1 3 LYS QG 1 14 ALA MB 2.500 . 3.200 3.095 2.851 3.411 0.211 24 0 "[ . 1 . 2 . 3 .]" 1
937 1 3 LYS QD 1 53 ILE MG 4.000 . 5.500 4.581 3.561 5.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
938 1 3 LYS HB3 1 53 ILE MG 3.000 . 4.300 3.708 3.542 3.906 . 0 0 "[ . 1 . 2 . 3 .]" 1
939 1 3 LYS HB3 1 55 LEU MD1 2.500 . 3.200 2.903 2.466 3.265 0.065 31 0 "[ . 1 . 2 . 3 .]" 1
940 1 3 LYS HB2 1 55 LEU HA 4.000 . 5.000 4.618 4.257 4.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
941 1 3 LYS HB3 1 55 LEU HG 4.000 . 5.000 2.516 2.316 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
942 1 3 LYS QD 1 55 LEU MD2 4.000 . 5.500 5.339 3.714 5.717 0.217 29 0 "[ . 1 . 2 . 3 .]" 1
943 1 3 LYS QG 1 55 LEU MD2 4.000 . 5.500 4.083 3.827 4.640 . 0 0 "[ . 1 . 2 . 3 .]" 1
944 1 3 LYS HB2 1 55 LEU MD1 3.000 . 4.200 3.877 3.431 4.206 0.006 31 0 "[ . 1 . 2 . 3 .]" 1
945 1 3 LYS QG 1 55 LEU MD1 4.000 . 5.500 4.107 3.673 4.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
946 1 3 LYS HB3 1 55 LEU HA 4.000 . 5.000 3.125 2.789 3.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
947 1 4 GLN QG 1 5 ILE HA 4.000 . 5.000 4.022 3.969 4.084 . 0 0 "[ . 1 . 2 . 3 .]" 1
948 1 4 GLN QG 1 5 ILE QG 4.000 . 6.000 4.645 4.552 4.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
949 1 4 GLN QG 1 6 GLU HA 4.000 . 5.000 3.983 3.899 4.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
950 1 4 GLN QG 1 6 GLU HB2 4.000 . 5.000 4.953 4.848 5.022 0.022 19 0 "[ . 1 . 2 . 3 .]" 1
951 1 4 GLN QG 1 6 GLU HB3 4.000 . 5.000 5.063 5.003 5.125 0.125 11 0 "[ . 1 . 2 . 3 .]" 1
952 1 4 GLN HA 1 55 LEU HB3 4.000 . 5.000 4.857 4.649 5.039 0.039 27 0 "[ . 1 . 2 . 3 .]" 1
953 1 4 GLN QG 1 56 GLU QB 4.000 . 5.000 3.107 2.911 3.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
954 1 4 GLN QG 1 56 GLU QG 4.000 . 5.000 4.062 3.896 4.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
955 1 4 GLN HA 1 56 GLU QB 4.000 . 5.000 2.801 2.539 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
956 1 4 GLN HA 1 56 GLU QG 4.000 . 5.000 4.674 4.451 4.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
957 1 4 GLN QG 1 57 VAL HA 4.000 . 6.000 4.157 3.931 4.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
958 1 5 ILE HA 1 5 ILE QG 3.000 . 3.800 3.078 3.041 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
959 1 5 ILE HA 1 5 ILE MG 3.000 . 3.800 2.274 2.225 2.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
960 1 5 ILE QG 1 5 ILE MG 2.500 . 3.200 2.243 2.174 2.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
961 1 5 ILE MD 1 5 ILE MG 2.500 . 3.200 1.883 1.774 1.997 0.026 27 0 "[ . 1 . 2 . 3 .]" 1
962 1 5 ILE HB 1 5 ILE MD 3.000 . 3.800 3.213 3.201 3.230 . 0 0 "[ . 1 . 2 . 3 .]" 1
963 1 5 ILE HA 1 5 ILE MD 2.500 . 3.200 2.108 2.083 2.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
964 1 5 ILE MG 1 6 GLU HA 4.000 . 5.500 4.151 4.052 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
965 1 5 ILE HA 1 6 GLU QG 4.000 . 5.000 4.149 3.715 4.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
966 1 5 ILE MG 1 8 LYS HA 4.000 . 5.500 3.572 3.385 3.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
967 1 5 ILE HA 1 10 ALA MB 3.000 . 3.800 3.006 2.792 3.179 . 0 0 "[ . 1 . 2 . 3 .]" 1
968 1 5 ILE MG 1 10 ALA HA 4.000 . 5.500 4.193 3.990 4.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
969 1 5 ILE MD 1 10 ALA MB 3.000 . 3.800 2.400 2.213 2.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
970 1 5 ILE MG 1 10 ALA MB 2.500 . 3.700 2.132 2.011 2.337 . 0 0 "[ . 1 . 2 . 3 .]" 1
971 1 5 ILE QG 1 10 ALA MB 4.000 . 5.500 4.150 4.017 4.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
972 1 5 ILE HB 1 10 ALA MB 4.000 . 5.500 4.617 4.461 4.774 . 0 0 "[ . 1 . 2 . 3 .]" 1
973 1 5 ILE MD 1 11 PHE HA 3.000 . 3.800 3.026 2.594 3.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
974 1 5 ILE QG 1 11 PHE QD 4.000 . 5.000 2.390 2.288 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
975 1 5 ILE MG 1 11 PHE HB2 3.000 . 3.800 2.175 2.115 2.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
976 1 5 ILE MG 1 11 PHE HB3 3.000 . 4.100 3.558 3.470 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
977 1 5 ILE MG 1 11 PHE QD 3.000 . 3.800 2.375 2.276 2.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
978 1 5 ILE MG 1 11 PHE HA 3.000 . 3.800 2.296 2.209 2.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
979 1 5 ILE HA 1 11 PHE HA 4.000 . 5.000 5.188 5.120 5.235 0.235 5 0 "[ . 1 . 2 . 3 .]" 1
980 1 5 ILE MD 1 11 PHE QD 4.000 . 5.500 3.749 3.435 4.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
981 1 5 ILE QG 1 14 ALA MB 4.000 . 5.000 3.232 3.084 3.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
982 1 5 ILE MD 1 14 ALA MB 2.500 . 3.700 2.133 1.984 2.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
983 1 5 ILE MG 1 14 ALA MB 4.000 . 5.300 3.630 3.483 3.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
984 1 5 ILE HA 1 14 ALA MB 4.000 . 5.500 4.966 4.757 5.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
985 1 5 ILE MD 1 14 ALA HA 4.000 . 5.500 4.300 4.114 4.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
986 1 5 ILE QG 1 55 LEU MD1 4.000 . 5.500 4.179 4.035 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
987 1 5 ILE QG 1 55 LEU HG 4.000 . 5.000 2.953 2.700 3.244 . 0 0 "[ . 1 . 2 . 3 .]" 1
988 1 5 ILE MD 1 55 LEU HG 4.000 . 5.500 2.877 2.481 3.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
989 1 5 ILE MD 1 55 LEU MD1 4.000 . 6.300 4.083 3.800 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
990 1 5 ILE MG 1 55 LEU MD2 4.000 . 6.000 3.873 3.733 4.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
991 1 5 ILE QG 1 55 LEU HB3 3.000 . 3.500 2.471 2.369 2.604 . 0 0 "[ . 1 . 2 . 3 .]" 1
992 1 5 ILE QG 1 55 LEU HB2 4.000 . 4.000 3.868 3.757 3.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
993 1 5 ILE QG 1 55 LEU MD2 4.000 . 5.500 2.315 2.170 2.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
994 1 5 ILE MD 1 55 LEU MD2 2.500 . 4.000 2.776 2.337 3.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
995 1 5 ILE MG 1 57 VAL MG1 3.000 . 4.800 3.809 3.628 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
996 1 5 ILE MG 1 57 VAL HA 4.000 . 5.500 4.805 4.502 4.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
997 1 5 ILE HB 1 57 VAL MG2 4.000 . 5.500 2.298 2.240 2.432 . 0 0 "[ . 1 . 2 . 3 .]" 1
998 1 5 ILE HA 1 57 VAL MG2 4.000 . 5.700 4.933 4.855 5.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
999 1 5 ILE QG 1 57 VAL HA 4.000 . 5.000 4.485 4.343 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
1000 1 5 ILE MG 1 57 VAL MG2 3.000 . 4.300 3.442 3.058 3.569 . 0 0 "[ . 1 . 2 . 3 .]" 1
1001 1 5 ILE MD 1 57 VAL MG2 4.000 . 6.000 4.296 4.178 4.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
1002 1 5 ILE MG 1 62 ALA MB 4.000 . 6.000 3.671 3.519 3.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
1003 1 5 ILE MG 1 65 VAL MG1 4.000 . 6.000 3.424 2.827 4.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
1004 1 6 GLU HA 1 6 GLU QG 3.000 . 3.500 2.607 2.323 2.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
1005 1 6 GLU HA 1 6 GLU HB2 3.000 . 3.500 3.034 3.027 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
1006 1 6 GLU HB2 1 7 SER HB3 4.000 . 5.000 3.989 3.926 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1007 1 6 GLU HA 1 7 SER HA 4.000 . 5.000 4.483 4.467 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
1008 1 6 GLU HB3 1 7 SER HA 4.000 . 5.300 5.006 4.945 5.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
1009 1 6 GLU HB2 1 10 ALA MB 4.000 . 5.500 4.549 4.366 4.776 . 0 0 "[ . 1 . 2 . 3 .]" 1
1010 1 6 GLU HA 1 10 ALA MB 4.000 . 5.800 5.399 5.201 5.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
1011 1 6 GLU QG 1 10 ALA MB 4.000 . 5.500 5.170 4.718 5.575 0.075 29 0 "[ . 1 . 2 . 3 .]" 1
1012 1 6 GLU HB3 1 61 ASP HB2 4.000 . 5.000 5.065 4.878 5.147 0.147 7 0 "[ . 1 . 2 . 3 .]" 1
1013 1 6 GLU HA 1 62 ALA MB 3.000 . 3.800 2.615 2.344 2.902 . 0 0 "[ . 1 . 2 . 3 .]" 1
1014 1 6 GLU HA 1 62 ALA HA 4.000 . 5.000 3.811 3.604 4.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
1015 1 7 SER HA 1 7 SER HB3 3.000 . 3.500 2.457 2.445 2.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
1016 1 7 SER HA 1 7 SER HB2 3.000 . 3.500 2.471 2.464 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
1017 1 7 SER HB2 1 9 THR HA 4.000 . 5.000 5.175 5.108 5.265 0.265 23 0 "[ . 1 . 2 . 3 .]" 1
1018 1 7 SER HB2 1 9 THR HB 4.000 . 5.000 3.344 3.236 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
1019 1 7 SER HB2 1 9 THR MG 4.000 . 5.500 4.819 4.740 4.940 . 0 0 "[ . 1 . 2 . 3 .]" 1
1020 1 7 SER HB2 1 10 ALA MB 4.000 . 5.500 4.421 4.225 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
1021 1 7 SER HB3 1 10 ALA MB 4.000 . 5.500 4.395 4.210 4.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
1022 1 7 SER HA 1 62 ALA MB 3.000 . 3.800 3.782 3.635 3.864 0.064 30 0 "[ . 1 . 2 . 3 .]" 1
1023 1 7 SER HA 1 65 VAL MG2 4.000 . 5.500 3.099 2.785 3.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
1024 1 7 SER HB3 1 65 VAL MG2 4.000 . 5.500 5.036 4.717 5.502 0.002 19 0 "[ . 1 . 2 . 3 .]" 1
1025 1 8 LYS QE 1 8 LYS QG 3.000 . 3.500 2.445 2.238 2.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
1026 1 8 LYS HB3 1 8 LYS QE 4.000 . 5.000 2.421 2.098 3.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
1027 1 8 LYS HB2 1 8 LYS QD 3.000 . 3.500 2.802 2.470 3.168 . 0 0 "[ . 1 . 2 . 3 .]" 1
1028 1 8 LYS HB2 1 8 LYS QE 4.000 . 5.000 2.580 2.155 3.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
1029 1 8 LYS HA 1 8 LYS HB2 3.000 . 3.500 2.556 2.540 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
1030 1 8 LYS HB3 1 9 THR HA 4.000 . 5.000 4.071 4.002 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
1031 1 8 LYS HA 1 9 THR HA 4.000 . 5.000 4.846 4.822 4.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
1032 1 8 LYS HB2 1 11 PHE HB2 4.000 . 5.000 4.824 4.757 4.922 . 0 0 "[ . 1 . 2 . 3 .]" 1
1033 1 8 LYS HG3 1 11 PHE HB2 4.000 . 5.000 4.031 3.750 4.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
1034 1 8 LYS HA 1 11 PHE QD 4.000 . 5.000 3.986 3.877 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1035 1 8 LYS HA 1 11 PHE HB2 4.000 . 5.000 2.340 2.296 2.438 . 0 0 "[ . 1 . 2 . 3 .]" 1
1036 1 8 LYS HA 1 11 PHE HB3 4.000 . 5.000 2.482 2.361 2.625 . 0 0 "[ . 1 . 2 . 3 .]" 1
1037 1 8 LYS HB3 1 11 PHE HB3 4.000 . 5.000 4.776 4.712 4.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
1038 1 8 LYS HB2 1 11 PHE HB3 4.000 . 5.000 4.701 4.573 4.816 . 0 0 "[ . 1 . 2 . 3 .]" 1
1039 1 8 LYS QG 1 12 GLN QG 4.000 . 5.000 2.602 2.472 2.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
1040 1 8 LYS HA 1 12 GLN QG 4.000 . 5.000 4.251 4.139 4.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
1041 1 8 LYS HB3 1 12 GLN QG 2.500 . 4.300 4.471 4.392 4.568 0.268 1 0 "[ . 1 . 2 . 3 .]" 1
1042 1 8 LYS QE 1 12 GLN QG 4.000 . 5.000 4.612 3.715 5.133 0.133 4 0 "[ . 1 . 2 . 3 .]" 1
1043 1 8 LYS HB2 1 64 ASP HB2 4.000 . 5.000 2.858 2.642 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1044 1 8 LYS HB2 1 64 ASP HA 4.000 . 5.000 4.789 4.614 4.938 . 0 0 "[ . 1 . 2 . 3 .]" 1
1045 1 8 LYS QE 1 64 ASP HB2 3.000 . 3.800 3.495 2.955 3.970 0.170 5 0 "[ . 1 . 2 . 3 .]" 1
1046 1 8 LYS QG 1 64 ASP HB2 4.000 . 5.000 4.777 4.551 4.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
1047 1 8 LYS QD 1 64 ASP HB2 4.000 . 5.000 4.471 3.700 5.023 0.023 14 0 "[ . 1 . 2 . 3 .]" 1
1048 1 8 LYS HB3 1 64 ASP HB2 4.000 . 5.000 3.759 3.473 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
1049 1 8 LYS HB2 1 65 VAL HA 4.000 . 5.000 3.078 2.720 3.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
1050 1 8 LYS HA 1 65 VAL MG2 3.000 . 3.800 2.209 2.063 2.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
1051 1 8 LYS HA 1 65 VAL HA 4.000 . 5.000 3.665 3.238 4.197 . 0 0 "[ . 1 . 2 . 3 .]" 1
1052 1 8 LYS QE 1 65 VAL HA 4.000 . 5.000 4.104 2.837 5.088 0.088 10 0 "[ . 1 . 2 . 3 .]" 1
1053 1 8 LYS HA 1 65 VAL MG1 4.000 . 5.500 3.154 2.700 3.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
1054 1 8 LYS QG 1 65 VAL HA 4.000 . 5.000 3.008 2.803 3.212 . 0 0 "[ . 1 . 2 . 3 .]" 1
1055 1 8 LYS QG 1 65 VAL MG2 4.000 . 5.500 3.330 2.973 3.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1056 1 8 LYS QD 1 65 VAL MG2 4.000 . 5.500 4.636 3.857 5.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
1057 1 8 LYS QD 1 65 VAL HA 4.000 . 5.000 4.061 2.839 4.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
1058 1 8 LYS HB2 1 65 VAL MG2 4.000 . 5.500 2.803 2.342 3.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
1059 1 8 LYS QE 1 68 GLU QB 4.000 . 5.000 3.223 2.177 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
1060 1 8 LYS QG 1 68 GLU QB 4.000 . 5.000 3.738 3.322 4.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
1061 1 8 LYS QD 1 68 GLU QG 4.000 . 5.000 3.343 2.229 4.409 . 0 0 "[ . 1 . 2 . 3 .]" 1
1062 1 9 THR HA 1 9 THR HB 2.500 . 3.000 3.029 3.024 3.033 0.033 28 0 "[ . 1 . 2 . 3 .]" 1
1063 1 9 THR HA 1 9 THR MG 2.500 . 3.200 2.307 2.257 2.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1064 1 9 THR HB 1 10 ALA HA 4.000 . 5.000 4.267 4.175 4.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
1065 1 9 THR HB 1 10 ALA MB 4.000 . 5.500 3.847 3.767 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
1066 1 9 THR MG 1 10 ALA MB 4.000 . 6.000 4.059 3.887 4.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
1067 1 9 THR MG 1 10 ALA HA 3.000 . 4.000 3.577 3.414 3.697 . 0 0 "[ . 1 . 2 . 3 .]" 1
1068 1 9 THR HA 1 10 ALA HA 4.000 . 5.000 4.737 4.703 4.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
1069 1 9 THR HA 1 12 GLN QG 4.000 . 5.000 3.300 3.165 3.426 . 0 0 "[ . 1 . 2 . 3 .]" 1
1070 1 9 THR MG 1 12 GLN QG 4.000 . 5.500 4.505 4.349 4.705 . 0 0 "[ . 1 . 2 . 3 .]" 1
1071 1 9 THR HA 1 12 GLN QB 4.000 . 5.000 3.441 3.255 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
1072 1 9 THR MG 1 13 GLU HG3 4.000 . 5.500 3.883 3.328 5.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1073 1 10 ALA MB 1 11 PHE HB2 4.000 . 5.500 4.359 4.266 4.421 . 0 0 "[ . 1 . 2 . 3 .]" 1
1074 1 10 ALA MB 1 11 PHE HB3 4.000 . 5.800 5.024 4.966 5.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1075 1 10 ALA MB 1 11 PHE HA 4.000 . 5.500 3.892 3.847 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
1076 1 10 ALA HA 1 12 GLN QG 4.000 . 5.500 5.706 5.617 5.795 0.295 11 0 "[ . 1 . 2 . 3 .]" 1
1077 1 10 ALA HA 1 13 GLU HA 4.000 . 5.200 5.110 5.032 5.236 0.036 28 0 "[ . 1 . 2 . 3 .]" 1
1078 1 10 ALA HA 1 13 GLU QG 4.000 . 5.000 3.079 2.754 3.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
1079 1 10 ALA HA 1 13 GLU HB3 3.000 . 3.700 3.917 3.862 3.971 0.271 8 0 "[ . 1 . 2 . 3 .]" 1
1080 1 10 ALA HA 1 13 GLU HB2 3.000 . 3.500 2.323 2.288 2.382 . 0 0 "[ . 1 . 2 . 3 .]" 1
1081 1 10 ALA MB 1 13 GLU HB2 4.000 . 5.500 3.666 3.580 3.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
1082 1 11 PHE HA 1 11 PHE QD 4.000 . 5.000 2.370 2.324 2.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
1083 1 11 PHE QD 1 12 GLN HA 4.000 . 5.000 3.841 3.767 3.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1084 1 11 PHE QD 1 14 ALA MB 4.000 . 5.500 3.855 3.675 4.017 . 0 0 "[ . 1 . 2 . 3 .]" 1
1085 1 11 PHE HB3 1 14 ALA MB 4.000 . 5.900 5.160 5.029 5.299 . 0 0 "[ . 1 . 2 . 3 .]" 1
1086 1 11 PHE HA 1 14 ALA MB 4.000 . 5.500 2.766 2.573 2.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
1087 1 11 PHE QD 1 15 LEU MD1 3.000 . 3.800 2.816 2.714 2.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
1088 1 11 PHE QD 1 15 LEU MD2 4.000 . 5.300 4.422 4.356 4.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1089 1 11 PHE QD 1 25 VAL MG2 4.000 . 5.500 4.005 3.940 4.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
1090 1 11 PHE QD 1 25 VAL MG1 4.000 . 5.500 3.687 3.573 4.014 . 0 0 "[ . 1 . 2 . 3 .]" 1
1091 1 11 PHE HA 1 55 LEU MD2 4.000 . 5.500 3.552 3.392 3.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
1092 1 11 PHE QD 1 55 LEU MD2 4.000 . 5.500 2.937 2.721 3.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
1093 1 11 PHE QD 1 57 VAL MG1 4.000 . 5.500 4.561 4.388 4.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
1094 1 11 PHE QD 1 57 VAL MG2 4.000 . 5.500 3.377 3.230 3.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
1095 1 11 PHE QD 1 65 VAL MG1 3.000 . 3.800 2.985 2.704 3.209 . 0 0 "[ . 1 . 2 . 3 .]" 1
1096 1 11 PHE HB2 1 65 VAL MG1 4.000 . 5.500 2.876 2.357 3.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
1097 1 11 PHE HA 1 65 VAL MG1 4.000 . 5.500 4.606 4.130 5.092 . 0 0 "[ . 1 . 2 . 3 .]" 1
1098 1 11 PHE HB2 1 65 VAL MG2 4.000 . 5.500 2.776 2.424 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
1099 1 11 PHE HB3 1 65 VAL MG2 4.000 . 5.500 3.826 3.507 4.078 . 0 0 "[ . 1 . 2 . 3 .]" 1
1100 1 12 GLN HA 1 13 GLU HA 4.000 . 5.000 4.826 4.807 4.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
1101 1 12 GLN QB 1 15 LEU MD1 4.000 . 5.500 4.162 4.081 4.294 . 0 0 "[ . 1 . 2 . 3 .]" 1
1102 1 12 GLN QG 1 15 LEU MD1 4.000 . 5.500 4.068 3.430 4.221 . 0 0 "[ . 1 . 2 . 3 .]" 1
1103 1 12 GLN HA 1 15 LEU HA 4.000 . 5.500 5.622 5.567 5.674 0.174 26 0 "[ . 1 . 2 . 3 .]" 1
1104 1 12 GLN QG 1 15 LEU HB2 4.000 . 6.000 5.486 4.907 5.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
1105 1 12 GLN HA 1 15 LEU HB2 4.000 . 5.000 2.927 2.846 2.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
1106 1 12 GLN HA 1 15 LEU HB3 4.000 . 5.000 4.512 4.425 4.587 . 0 0 "[ . 1 . 2 . 3 .]" 1
1107 1 12 GLN HA 1 15 LEU MD1 3.000 . 3.800 2.356 2.279 2.493 . 0 0 "[ . 1 . 2 . 3 .]" 1
1108 1 12 GLN HA 1 15 LEU HG 4.000 . 5.000 3.786 3.668 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
1109 1 13 GLU HA 1 13 GLU HB2 3.000 . 3.500 3.028 3.004 3.041 . 0 0 "[ . 1 . 2 . 3 .]" 1
1110 1 13 GLU HA 1 13 GLU QG 3.000 . 3.700 2.692 2.249 2.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
1111 1 13 GLU HA 1 13 GLU HB3 3.000 . 3.500 2.551 2.478 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
1112 1 13 GLU HB3 1 14 ALA HA 4.000 . 5.000 4.341 4.171 4.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
1113 1 13 GLU HA 1 14 ALA MB 4.000 . 6.000 5.031 5.007 5.064 . 0 0 "[ . 1 . 2 . 3 .]" 1
1114 1 13 GLU HA 1 15 LEU HB2 4.000 . 5.200 5.172 5.087 5.266 0.067 30 0 "[ . 1 . 2 . 3 .]" 1
1115 1 13 GLU HA 1 16 ASP HA 4.000 . 5.300 5.474 5.380 5.554 0.254 21 0 "[ . 1 . 2 . 3 .]" 1
1116 1 13 GLU QG 1 16 ASP QB 4.000 . 5.000 4.736 4.126 5.023 0.023 15 0 "[ . 1 . 2 . 3 .]" 1
1117 1 13 GLU HA 1 16 ASP QB 4.000 . 5.000 2.786 2.677 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
1118 1 13 GLU HB3 1 16 ASP QB 4.000 . 5.000 4.507 4.376 4.630 . 0 0 "[ . 1 . 2 . 3 .]" 1
1119 1 13 GLU HB3 1 17 ALA MB 4.000 . 5.500 4.301 4.099 4.492 . 0 0 "[ . 1 . 2 . 3 .]" 1
1120 1 14 ALA MB 1 15 LEU HA 4.000 . 5.500 3.810 3.763 3.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1121 1 14 ALA MB 1 15 LEU MD2 4.000 . 6.000 3.926 3.763 4.151 . 0 0 "[ . 1 . 2 . 3 .]" 1
1122 1 14 ALA MB 1 15 LEU HG 4.000 . 5.500 3.257 3.169 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
1123 1 14 ALA HA 1 17 ALA MB 2.500 . 3.200 2.464 2.259 2.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
1124 1 14 ALA MB 1 23 VAL MG1 4.000 . 6.000 3.887 3.696 4.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
1125 1 14 ALA MB 1 55 LEU HB2 4.000 . 5.500 4.996 4.859 5.117 . 0 0 "[ . 1 . 2 . 3 .]" 1
1126 1 14 ALA HA 1 55 LEU MD2 4.000 . 5.500 4.341 4.176 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
1127 1 14 ALA MB 1 55 LEU MD1 3.000 . 4.600 3.284 2.907 3.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1128 1 14 ALA MB 1 55 LEU MD2 2.500 . 3.700 2.074 1.990 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
1129 1 15 LEU HA 1 15 LEU MD1 4.000 . 5.500 3.836 3.812 3.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
1130 1 15 LEU HB3 1 15 LEU MD1 3.000 . 3.800 2.436 2.369 2.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
1131 1 15 LEU MD1 1 15 LEU MD2 2.500 . 3.700 2.017 2.007 2.042 . 0 0 "[ . 1 . 2 . 3 .]" 1
1132 1 15 LEU HB2 1 15 LEU MD1 2.500 . 3.200 2.323 2.287 2.357 . 0 0 "[ . 1 . 2 . 3 .]" 1
1133 1 15 LEU HA 1 15 LEU HG 4.000 . 5.000 2.799 2.692 2.863 . 0 0 "[ . 1 . 2 . 3 .]" 1
1134 1 15 LEU HB3 1 16 ASP HA 4.000 . 5.000 4.346 4.292 4.408 . 0 0 "[ . 1 . 2 . 3 .]" 1
1135 1 15 LEU HA 1 16 ASP QB 4.000 . 6.000 5.227 5.203 5.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
1136 1 15 LEU HB3 1 18 ALA MB 4.000 . 5.500 4.648 4.424 4.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
1137 1 15 LEU MD2 1 18 ALA MB 4.000 . 6.000 3.780 3.561 3.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
1138 1 15 LEU HB2 1 18 ALA MB 4.000 . 5.900 5.364 5.120 5.579 . 0 0 "[ . 1 . 2 . 3 .]" 1
1139 1 15 LEU HA 1 18 ALA MB 3.000 . 3.800 2.948 2.648 3.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
1140 1 15 LEU HA 1 23 VAL MG1 4.000 . 5.500 3.274 3.163 3.407 . 0 0 "[ . 1 . 2 . 3 .]" 1
1141 1 15 LEU HB3 1 23 VAL MG1 4.000 . 5.700 4.932 4.827 5.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
1142 1 15 LEU HA 1 23 VAL MG2 4.000 . 5.500 3.109 2.971 3.242 . 0 0 "[ . 1 . 2 . 3 .]" 1
1143 1 15 LEU MD2 1 23 VAL MG1 3.000 . 4.300 2.239 2.198 2.388 . 0 0 "[ . 1 . 2 . 3 .]" 1
1144 1 15 LEU MD2 1 23 VAL MG2 3.000 . 4.700 3.000 2.844 3.109 . 0 0 "[ . 1 . 2 . 3 .]" 1
1145 1 15 LEU MD2 1 23 VAL HB 4.000 . 5.500 3.232 3.135 3.362 . 0 0 "[ . 1 . 2 . 3 .]" 1
1146 1 15 LEU MD2 1 25 VAL MG2 4.000 . 5.000 3.388 3.246 3.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1147 1 15 LEU MD1 1 55 LEU MD2 4.000 . 6.000 4.498 4.304 4.677 . 0 0 "[ . 1 . 2 . 3 .]" 1
1148 1 15 LEU MD2 1 55 LEU MD2 4.000 . 6.000 3.258 3.058 3.544 . 0 0 "[ . 1 . 2 . 3 .]" 1
1149 1 15 LEU HA 1 55 LEU MD2 4.000 . 5.500 4.122 3.937 4.322 . 0 0 "[ . 1 . 2 . 3 .]" 1
1150 1 15 LEU MD2 1 80 PHE QD 4.000 . 5.500 2.980 2.909 3.079 . 0 0 "[ . 1 . 2 . 3 .]" 1
1151 1 15 LEU HA 1 80 PHE HB3 4.000 . 5.000 4.953 4.834 5.028 0.028 29 0 "[ . 1 . 2 . 3 .]" 1
1152 1 15 LEU HG 1 80 PHE HB3 4.000 . 5.000 5.046 4.965 5.128 0.128 18 0 "[ . 1 . 2 . 3 .]" 1
1153 1 15 LEU MD2 1 80 PHE HA 4.000 . 5.500 4.243 4.201 4.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
1154 1 15 LEU MD2 1 80 PHE HB3 4.000 . 5.500 2.185 2.135 2.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
1155 1 15 LEU MD2 1 80 PHE HB2 4.000 . 5.500 2.446 2.311 2.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1156 1 15 LEU MD1 1 80 PHE QE 4.000 . 5.500 3.872 3.687 4.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
1157 1 15 LEU MD1 1 80 PHE HB3 4.000 . 5.500 3.814 3.594 4.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1158 1 15 LEU HB2 1 83 GLY HA2 4.000 . 5.000 3.827 3.750 3.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1159 1 15 LEU MD2 1 83 GLY HA2 4.000 . 5.500 2.597 2.302 3.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
1160 1 15 LEU MD2 1 83 GLY HA3 4.000 . 5.500 4.157 3.866 4.562 . 0 0 "[ . 1 . 2 . 3 .]" 1
1161 1 15 LEU HB3 1 83 GLY HA2 4.000 . 5.000 2.324 2.279 2.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1162 1 15 LEU HB3 1 83 GLY HA3 4.000 . 5.000 3.383 3.167 3.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
1163 1 15 LEU MD1 1 83 GLY HA3 4.000 . 5.500 3.885 3.593 4.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
1164 1 15 LEU MD1 1 83 GLY HA2 4.000 . 5.500 2.837 2.592 3.295 . 0 0 "[ . 1 . 2 . 3 .]" 1
1165 1 16 ASP QB 1 17 ALA HA 4.000 . 5.000 4.044 3.970 4.104 . 0 0 "[ . 1 . 2 . 3 .]" 1
1166 1 16 ASP QB 1 17 ALA MB 4.000 . 5.500 3.858 3.739 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1167 1 16 ASP HA 1 17 ALA HA 4.000 . 5.000 4.792 4.754 4.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
1168 1 16 ASP HA 1 18 ALA MB 4.000 . 5.500 4.851 4.751 4.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
1169 1 16 ASP HA 1 82 LYS HA 4.000 . 5.500 5.629 5.460 5.723 0.223 34 0 "[ . 1 . 2 . 3 .]" 1
1170 1 17 ALA HA 1 18 ALA HA 4.000 . 5.000 4.826 4.809 4.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
1171 1 17 ALA HA 1 18 ALA MB 4.000 . 6.000 5.024 4.998 5.053 . 0 0 "[ . 1 . 2 . 3 .]" 1
1172 1 18 ALA MB 1 21 LYS QB 4.000 . 5.500 2.661 2.493 3.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
1173 1 18 ALA MB 1 21 LYS HB2 4.000 . 5.500 2.706 2.525 3.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
1174 1 18 ALA HA 1 21 LYS QD 4.000 . 5.000 3.889 3.173 4.996 . 0 0 "[ . 1 . 2 . 3 .]" 1
1175 1 18 ALA MB 1 23 VAL MG2 2.500 . 3.700 1.807 1.773 1.864 0.027 1 0 "[ . 1 . 2 . 3 .]" 1
1176 1 18 ALA HA 1 23 VAL MG2 4.000 . 5.500 3.886 3.802 4.041 . 0 0 "[ . 1 . 2 . 3 .]" 1
1177 1 18 ALA MB 1 23 VAL HB 4.000 . 5.500 4.014 3.960 4.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
1178 1 18 ALA MB 1 23 VAL MG1 4.000 . 6.000 3.133 2.973 3.231 . 0 0 "[ . 1 . 2 . 3 .]" 1
1179 1 18 ALA MB 1 53 ILE MD 4.000 . 5.000 3.914 3.639 4.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1180 1 18 ALA HA 1 53 ILE MD 2.500 . 3.800 3.765 3.556 3.905 0.105 10 0 "[ . 1 . 2 . 3 .]" 1
1181 1 18 ALA MB 1 53 ILE MG 2.500 . 4.100 3.007 2.760 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
1182 1 18 ALA HA 1 53 ILE MG 4.000 . 5.500 3.979 3.718 4.215 . 0 0 "[ . 1 . 2 . 3 .]" 1
1183 1 18 ALA MB 1 53 ILE HB 3.000 . 3.800 3.012 2.867 3.185 . 0 0 "[ . 1 . 2 . 3 .]" 1
1184 1 18 ALA MB 1 53 ILE QG 4.000 . 5.500 2.477 2.191 2.594 . 0 0 "[ . 1 . 2 . 3 .]" 1
1185 1 18 ALA HA 1 53 ILE QG 4.000 . 5.000 2.550 2.322 2.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
1186 1 20 ASP HA 1 20 ASP QB 2.500 . 2.900 2.363 2.349 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
1187 1 20 ASP HA 1 81 LYS QG 4.000 . 5.000 3.626 3.424 4.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
1188 1 20 ASP QB 1 82 LYS HA 4.000 . 5.200 5.322 5.232 5.373 0.173 19 0 "[ . 1 . 2 . 3 .]" 1
1189 1 20 ASP HA 1 82 LYS HA 4.000 . 5.000 3.488 3.406 3.558 . 0 0 "[ . 1 . 2 . 3 .]" 1
1190 1 20 ASP HA 1 82 LYS QE 3.000 . 3.500 3.260 3.016 3.514 0.014 34 0 "[ . 1 . 2 . 3 .]" 1
1191 1 20 ASP QB 1 82 LYS QG 4.000 . 5.000 3.426 3.296 3.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1192 1 20 ASP HA 1 82 LYS HG3 4.000 . 5.000 3.002 2.345 3.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1193 1 21 LYS QB 1 21 LYS QD 3.000 . 3.500 2.157 2.101 2.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
1194 1 21 LYS QB 1 21 LYS QE 3.000 . 3.500 3.242 2.104 3.661 0.161 14 0 "[ . 1 . 2 . 3 .]" 1
1195 1 21 LYS HB3 1 21 LYS QD 2.500 . 3.300 2.363 2.237 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
1196 1 21 LYS HB2 1 21 LYS QD 2.500 . 2.900 2.542 2.310 2.981 0.081 32 0 "[ . 1 . 2 . 3 .]" 1
1197 1 21 LYS HA 1 21 LYS QE 4.000 . 5.000 4.504 3.683 4.961 . 0 0 "[ . 1 . 2 . 3 .]" 1
1198 1 21 LYS HA 1 22 LEU HB2 4.000 . 5.000 4.373 4.312 4.576 . 0 0 "[ . 1 . 2 . 3 .]" 1
1199 1 21 LYS HA 1 23 VAL MG2 4.000 . 5.800 4.980 4.905 5.152 . 0 0 "[ . 1 . 2 . 3 .]" 1
1200 1 21 LYS QD 1 51 ASN HA 4.000 . 5.000 3.710 3.170 5.020 0.020 16 0 "[ . 1 . 2 . 3 .]" 1
1201 1 21 LYS HB3 1 52 VAL HA 4.000 . 5.000 3.152 2.958 3.411 . 0 0 "[ . 1 . 2 . 3 .]" 1
1202 1 21 LYS QD 1 52 VAL HA 4.000 . 6.000 4.048 3.651 5.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
1203 1 21 LYS QB 1 53 ILE QG 4.000 . 5.000 2.476 2.311 2.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
1204 1 21 LYS QD 1 53 ILE QG 4.000 . 5.000 2.942 2.689 3.523 . 0 0 "[ . 1 . 2 . 3 .]" 1
1205 1 21 LYS QD 1 53 ILE MG 4.000 . 6.800 4.944 4.639 5.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1206 1 21 LYS QE 1 53 ILE MD 3.000 . 3.800 3.658 2.448 3.938 0.138 11 0 "[ . 1 . 2 . 3 .]" 1
1207 1 21 LYS QD 1 53 ILE MD 3.000 . 3.800 2.638 2.294 3.346 . 0 0 "[ . 1 . 2 . 3 .]" 1
1208 1 22 LEU HA 1 22 LEU HB2 3.000 . 3.500 2.789 2.749 2.991 . 0 0 "[ . 1 . 2 . 3 .]" 1
1209 1 22 LEU HA 1 22 LEU MD2 3.000 . 3.800 2.201 2.089 2.245 . 0 0 "[ . 1 . 2 . 3 .]" 1
1210 1 22 LEU HA 1 22 LEU HG 4.000 . 5.000 2.546 2.482 2.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
1211 1 22 LEU HA 1 22 LEU MD1 3.000 . 4.800 3.806 3.756 3.828 . 0 0 "[ . 1 . 2 . 3 .]" 1
1212 1 22 LEU HB2 1 22 LEU MD1 3.000 . 3.800 2.445 2.291 2.518 . 0 0 "[ . 1 . 2 . 3 .]" 1
1213 1 22 LEU HA 1 23 VAL MG2 4.000 . 5.500 3.430 3.313 3.511 . 0 0 "[ . 1 . 2 . 3 .]" 1
1214 1 22 LEU MD2 1 24 VAL MG2 4.000 . 6.000 2.750 2.525 3.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
1215 1 22 LEU MD2 1 24 VAL HB 4.000 . 6.000 5.118 4.884 6.244 0.244 19 0 "[ . 1 . 2 . 3 .]" 1
1216 1 22 LEU MD2 1 24 VAL MG1 4.000 . 6.200 4.585 4.355 5.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
1217 1 22 LEU MD1 1 24 VAL MG2 4.000 . 6.000 3.312 3.088 3.623 . 0 0 "[ . 1 . 2 . 3 .]" 1
1218 1 22 LEU HB2 1 52 VAL HA 4.000 . 5.000 3.860 3.149 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1219 1 22 LEU MD1 1 52 VAL MG2 4.000 . 6.000 2.539 2.186 2.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
1220 1 22 LEU MD1 1 52 VAL MG1 3.000 . 4.300 2.765 2.486 2.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
1221 1 22 LEU HB2 1 52 VAL MG1 4.000 . 5.500 3.261 2.239 3.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
1222 1 22 LEU MD2 1 52 VAL MG1 4.000 . 6.000 3.221 2.883 3.916 . 0 0 "[ . 1 . 2 . 3 .]" 1
1223 1 22 LEU HB3 1 52 VAL MG1 4.000 . 5.500 2.134 2.049 2.308 . 0 0 "[ . 1 . 2 . 3 .]" 1
1224 1 22 LEU HB3 1 52 VAL MG2 3.000 . 3.800 2.512 2.223 3.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1225 1 22 LEU HB2 1 52 VAL MG2 3.000 . 3.800 2.439 2.247 2.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
1226 1 22 LEU MD2 1 79 PHE HB2 4.000 . 5.500 4.329 4.087 5.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
1227 1 22 LEU MD2 1 79 PHE HB3 3.000 . 3.800 2.851 2.601 3.589 . 0 0 "[ . 1 . 2 . 3 .]" 1
1228 1 22 LEU MD2 1 79 PHE HA 4.000 . 5.500 3.793 3.526 4.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
1229 1 22 LEU MD2 1 79 PHE QE 4.000 . 5.500 4.000 3.830 4.818 . 0 0 "[ . 1 . 2 . 3 .]" 1
1230 1 22 LEU MD1 1 79 PHE QE 4.000 . 5.500 3.854 3.621 4.550 . 0 0 "[ . 1 . 2 . 3 .]" 1
1231 1 22 LEU MD1 1 79 PHE QD 4.000 . 5.500 3.202 2.881 4.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
1232 1 22 LEU MD2 1 79 PHE QD 4.000 . 5.500 2.350 2.167 3.286 . 0 0 "[ . 1 . 2 . 3 .]" 1
1233 1 22 LEU MD2 1 80 PHE HA 4.000 . 6.500 4.898 4.602 5.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
1234 1 22 LEU MD2 1 81 LYS QB 4.000 . 5.500 3.159 2.706 3.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1235 1 22 LEU MD2 1 81 LYS QG 3.000 . 5.100 3.637 2.444 4.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1236 1 22 LEU HA 1 81 LYS QB 4.000 . 5.000 3.769 3.539 4.128 . 0 0 "[ . 1 . 2 . 3 .]" 1
1237 1 22 LEU HA 1 81 LYS QE 3.000 . 3.500 3.452 2.944 3.627 0.127 20 0 "[ . 1 . 2 . 3 .]" 1
1238 1 22 LEU HB2 1 81 LYS QE 4.000 . 5.000 4.264 3.549 4.988 . 0 0 "[ . 1 . 2 . 3 .]" 1
1239 1 22 LEU MD2 1 81 LYS QE 3.000 . 4.800 3.842 2.108 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
1240 1 22 LEU MD2 1 81 LYS HA 4.000 . 5.500 3.928 3.789 4.008 . 0 0 "[ . 1 . 2 . 3 .]" 1
1241 1 22 LEU HA 1 81 LYS QG 4.000 . 5.000 2.983 2.446 4.583 . 0 0 "[ . 1 . 2 . 3 .]" 1
1242 1 22 LEU HG 1 81 LYS QE 4.000 . 5.000 3.177 2.498 3.822 . 0 0 "[ . 1 . 2 . 3 .]" 1
1243 1 22 LEU MD2 1 81 LYS QD 4.000 . 5.500 3.876 2.249 4.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
1244 1 22 LEU HA 1 81 LYS QD 4.000 . 5.000 3.987 2.066 4.914 . 0 0 "[ . 1 . 2 . 3 .]" 1
1245 1 22 LEU HA 1 86 VAL MG2 4.000 . 5.700 5.246 4.949 5.504 . 0 0 "[ . 1 . 2 . 3 .]" 1
1246 1 22 LEU MD2 1 86 VAL MG2 3.000 . 4.500 3.392 3.016 3.702 . 0 0 "[ . 1 . 2 . 3 .]" 1
1247 1 22 LEU HB3 1 101 ILE MG 4.000 . 5.500 4.109 3.980 4.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
1248 1 22 LEU HB3 1 101 ILE HA 4.000 . 5.000 5.126 4.986 5.212 0.212 35 0 "[ . 1 . 2 . 3 .]" 1
1249 1 22 LEU MD1 1 101 ILE MG 3.000 . 4.300 2.319 2.206 2.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1250 1 22 LEU MD1 1 101 ILE HA 3.000 . 3.800 2.282 2.182 2.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
1251 1 22 LEU MD1 1 101 ILE QG 4.000 . 5.500 3.035 2.756 3.349 . 0 0 "[ . 1 . 2 . 3 .]" 1
1252 1 22 LEU MD1 1 104 LEU HB3 4.000 . 5.500 2.886 2.617 3.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
1253 1 22 LEU MD2 1 104 LEU HB3 3.000 . 3.800 3.111 2.221 3.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
1254 1 22 LEU MD2 1 104 LEU HB2 4.000 . 5.500 2.912 2.261 3.177 . 0 0 "[ . 1 . 2 . 3 .]" 1
1255 1 22 LEU MD1 1 104 LEU MD1 4.000 . 6.000 3.156 2.809 3.721 . 0 0 "[ . 1 . 2 . 3 .]" 1
1256 1 22 LEU MD2 1 104 LEU MD1 3.000 . 4.300 2.584 2.427 2.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
1257 1 22 LEU MD1 1 104 LEU HB2 2.500 . 3.200 2.103 2.014 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
1258 1 22 LEU HG 1 105 VAL HA 4.000 . 5.000 3.833 3.133 4.153 . 0 0 "[ . 1 . 2 . 3 .]" 1
1259 1 22 LEU MD1 1 105 VAL MG2 3.000 . 4.700 3.498 2.708 3.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
1260 1 22 LEU MD2 1 105 VAL HA 4.000 . 5.500 4.932 3.947 5.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
1261 1 22 LEU HB2 1 105 VAL HA 4.000 . 5.000 3.683 3.446 4.399 . 0 0 "[ . 1 . 2 . 3 .]" 1
1262 1 22 LEU HB3 1 105 VAL HA 4.000 . 5.000 4.892 4.662 5.216 0.216 17 0 "[ . 1 . 2 . 3 .]" 1
1263 1 22 LEU MD1 1 105 VAL HB 3.000 . 3.800 3.396 2.978 3.693 . 0 0 "[ . 1 . 2 . 3 .]" 1
1264 1 22 LEU MD1 1 105 VAL HA 3.000 . 3.800 2.524 2.041 2.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
1265 1 23 VAL HA 1 23 VAL MG1 3.000 . 3.800 2.305 2.258 2.355 . 0 0 "[ . 1 . 2 . 3 .]" 1
1266 1 23 VAL HA 1 23 VAL MG2 2.500 . 3.200 2.331 2.273 2.418 . 0 0 "[ . 1 . 2 . 3 .]" 1
1267 1 23 VAL HA 1 24 VAL MG2 4.000 . 5.500 3.708 3.567 3.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
1268 1 23 VAL MG1 1 24 VAL HA 4.000 . 5.500 3.929 3.814 4.058 . 0 0 "[ . 1 . 2 . 3 .]" 1
1269 1 23 VAL MG1 1 25 VAL MG2 4.000 . 6.000 2.484 2.406 2.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
1270 1 23 VAL HA 1 53 ILE MD 4.000 . 5.800 5.178 4.969 5.325 . 0 0 "[ . 1 . 2 . 3 .]" 1
1271 1 23 VAL HA 1 53 ILE QG 4.000 . 5.000 4.073 3.819 4.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
1272 1 23 VAL MG1 1 53 ILE MG 2.500 . 4.000 3.291 2.973 3.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1273 1 23 VAL MG2 1 53 ILE QG 3.000 . 3.800 2.980 2.733 3.137 . 0 0 "[ . 1 . 2 . 3 .]" 1
1274 1 23 VAL MG2 1 53 ILE MG 4.000 . 6.000 3.431 3.260 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1275 1 23 VAL HA 1 53 ILE MG 4.000 . 5.500 4.114 3.963 4.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
1276 1 23 VAL MG1 1 53 ILE HB 4.000 . 5.500 2.930 2.486 3.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
1277 1 23 VAL HA 1 53 ILE HB 4.000 . 5.000 2.747 2.510 2.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
1278 1 23 VAL HA 1 53 ILE HA 4.000 . 5.000 4.865 4.733 4.979 . 0 0 "[ . 1 . 2 . 3 .]" 1
1279 1 23 VAL MG2 1 53 ILE MD 4.000 . 6.000 4.374 4.186 4.483 . 0 0 "[ . 1 . 2 . 3 .]" 1
1280 1 23 VAL HA 1 54 PHE HA 4.000 . 5.000 4.345 4.200 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
1281 1 23 VAL MG1 1 55 LEU HB3 4.000 . 5.500 4.735 4.609 4.893 . 0 0 "[ . 1 . 2 . 3 .]" 1
1282 1 23 VAL MG1 1 55 LEU HB2 4.000 . 5.500 3.609 3.474 3.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
1283 1 23 VAL MG1 1 55 LEU MD1 2.500 . 3.700 2.099 1.982 2.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
1284 1 23 VAL MG1 1 55 LEU MD2 2.500 . 3.700 2.319 2.010 2.646 . 0 0 "[ . 1 . 2 . 3 .]" 1
1285 1 23 VAL MG1 1 55 LEU HG 4.000 . 5.500 4.212 4.055 4.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1286 1 23 VAL HB 1 80 PHE HA 4.000 . 5.000 4.515 4.447 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
1287 1 23 VAL HB 1 80 PHE QD 4.000 . 5.000 4.157 4.061 4.259 . 0 0 "[ . 1 . 2 . 3 .]" 1
1288 1 23 VAL MG2 1 80 PHE HB2 4.000 . 5.500 3.771 3.709 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
1289 1 23 VAL MG1 1 80 PHE HB2 4.000 . 5.500 2.750 2.538 2.962 . 0 0 "[ . 1 . 2 . 3 .]" 1
1290 1 23 VAL MG2 1 80 PHE HB3 4.000 . 5.500 4.249 4.172 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
1291 1 23 VAL HB 1 80 PHE HB3 4.000 . 5.000 3.458 3.334 3.593 . 0 0 "[ . 1 . 2 . 3 .]" 1
1292 1 23 VAL HB 1 80 PHE HB2 4.000 . 5.000 2.341 2.276 2.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
1293 1 23 VAL MG1 1 80 PHE HB3 4.000 . 5.500 3.970 3.783 4.172 . 0 0 "[ . 1 . 2 . 3 .]" 1
1294 1 23 VAL MG2 1 81 LYS HA 4.000 . 5.500 3.378 3.189 3.690 . 0 0 "[ . 1 . 2 . 3 .]" 1
1295 1 23 VAL MG2 1 81 LYS QG 4.000 . 5.500 4.475 4.115 5.556 0.056 17 0 "[ . 1 . 2 . 3 .]" 1
1296 1 23 VAL MG2 1 82 LYS HA 4.000 . 5.500 5.454 5.260 5.591 0.091 10 0 "[ . 1 . 2 . 3 .]" 1
1297 1 24 VAL MG2 1 42 PHE QD 4.000 . 5.800 5.139 4.900 5.323 . 0 0 "[ . 1 . 2 . 3 .]" 1
1298 1 24 VAL MG2 1 42 PHE QE 4.000 . 5.500 3.967 3.805 4.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
1299 1 24 VAL MG1 1 42 PHE QE 4.000 . 5.500 2.098 2.051 2.181 . 0 0 "[ . 1 . 2 . 3 .]" 1
1300 1 24 VAL MG2 1 52 VAL MG1 4.000 . 6.000 2.434 2.086 2.704 . 0 0 "[ . 1 . 2 . 3 .]" 1
1301 1 24 VAL HB 1 52 VAL MG1 4.000 . 5.500 3.910 3.595 4.093 . 0 0 "[ . 1 . 2 . 3 .]" 1
1302 1 24 VAL HB 1 54 PHE HA 4.000 . 5.000 2.749 2.635 2.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
1303 1 24 VAL MG2 1 54 PHE QD 4.000 . 5.500 3.765 3.610 3.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
1304 1 24 VAL MG2 1 54 PHE HA 4.000 . 5.500 3.801 3.616 4.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
1305 1 24 VAL MG1 1 54 PHE QD 4.000 . 5.500 3.457 3.256 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
1306 1 24 VAL MG2 1 54 PHE QE 4.000 . 5.500 3.374 3.190 3.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1307 1 24 VAL MG2 1 77 PHE QD 4.000 . 6.500 5.365 5.174 5.591 . 0 0 "[ . 1 . 2 . 3 .]" 1
1308 1 24 VAL MG1 1 77 PHE QD 4.000 . 5.500 2.971 2.785 3.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1309 1 24 VAL MG2 1 79 PHE HA 4.000 . 5.500 3.555 3.291 3.730 . 0 0 "[ . 1 . 2 . 3 .]" 1
1310 1 24 VAL MG1 1 79 PHE QD 3.000 . 4.000 3.474 3.302 3.615 . 0 0 "[ . 1 . 2 . 3 .]" 1
1311 1 24 VAL MG1 1 79 PHE QE 4.000 . 5.500 2.843 2.628 3.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
1312 1 24 VAL HA 1 79 PHE HA 4.000 . 5.000 2.489 2.435 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1313 1 24 VAL MG1 1 79 PHE HB3 4.000 . 5.500 4.960 4.827 5.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
1314 1 24 VAL MG2 1 79 PHE QE 4.000 . 5.500 2.244 2.122 2.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
1315 1 24 VAL MG2 1 79 PHE HB3 4.000 . 5.500 4.127 3.961 4.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
1316 1 24 VAL MG1 1 79 PHE HA 4.000 . 5.500 3.695 3.565 3.844 . 0 0 "[ . 1 . 2 . 3 .]" 1
1317 1 24 VAL MG1 1 97 LEU MD2 4.000 . 6.000 2.349 2.230 2.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
1318 1 24 VAL HB 1 97 LEU MD2 4.000 . 5.500 4.470 4.345 4.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
1319 1 24 VAL MG2 1 101 ILE QG 4.000 . 5.500 2.392 2.256 2.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
1320 1 24 VAL MG2 1 101 ILE HA 4.000 . 5.500 4.035 3.876 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
1321 1 24 VAL MG1 1 101 ILE MD 4.000 . 6.000 3.668 3.462 3.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
1322 1 24 VAL MG2 1 101 ILE MD 4.000 . 6.000 2.840 2.617 3.118 . 0 0 "[ . 1 . 2 . 3 .]" 1
1323 1 24 VAL MG2 1 101 ILE MG 4.000 . 6.000 3.823 3.671 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
1324 1 25 VAL MG1 1 26 ASP HB3 4.000 . 5.700 4.662 4.577 4.722 . 0 0 "[ . 1 . 2 . 3 .]" 1
1325 1 25 VAL HA 1 26 ASP HB3 4.000 . 5.000 4.686 4.599 4.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
1326 1 25 VAL MG1 1 27 PHE QE 4.000 . 5.500 2.894 2.559 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
1327 1 25 VAL MG1 1 27 PHE QD 4.000 . 5.500 3.510 3.005 3.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
1328 1 25 VAL HB 1 27 PHE QE 4.000 . 5.000 3.091 2.833 3.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
1329 1 25 VAL MG1 1 27 PHE HA 4.000 . 5.500 4.065 4.001 4.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
1330 1 25 VAL HA 1 42 PHE QE 4.000 . 5.000 4.357 4.143 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
1331 1 25 VAL HA 1 54 PHE HA 4.000 . 5.000 4.849 4.715 4.995 . 0 0 "[ . 1 . 2 . 3 .]" 1
1332 1 25 VAL MG2 1 55 LEU HG 4.000 . 5.500 4.548 4.347 4.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
1333 1 25 VAL HA 1 55 LEU HB3 4.000 . 5.000 3.675 3.501 3.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
1334 1 25 VAL MG2 1 55 LEU HB2 4.000 . 5.500 2.362 2.262 2.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
1335 1 25 VAL MG2 1 55 LEU MD2 4.000 . 5.500 2.301 2.190 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
1336 1 25 VAL HA 1 55 LEU HB2 4.000 . 5.000 2.421 2.316 2.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1337 1 25 VAL MG1 1 55 LEU HB3 4.000 . 5.500 3.097 2.893 3.414 . 0 0 "[ . 1 . 2 . 3 .]" 1
1338 1 25 VAL MG2 1 55 LEU HB3 4.000 . 5.500 3.509 3.334 3.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1339 1 25 VAL HA 1 55 LEU MD1 4.000 . 5.500 3.991 3.789 4.268 . 0 0 "[ . 1 . 2 . 3 .]" 1
1340 1 25 VAL MG1 1 55 LEU HB2 4.000 . 5.500 2.800 2.664 3.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
1341 1 25 VAL MG1 1 55 LEU MD2 4.000 . 6.000 3.317 3.139 3.675 . 0 0 "[ . 1 . 2 . 3 .]" 1
1342 1 25 VAL HA 1 55 LEU MD2 4.000 . 5.500 3.992 3.837 4.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
1343 1 25 VAL HA 1 56 GLU HA 3.000 . 4.500 4.505 4.417 4.590 0.090 11 0 "[ . 1 . 2 . 3 .]" 1
1344 1 25 VAL MG1 1 56 GLU HA 4.000 . 5.500 4.336 4.246 4.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
1345 1 25 VAL MG1 1 57 VAL MG2 2.500 . 3.700 1.848 1.802 1.911 . 0 0 "[ . 1 . 2 . 3 .]" 1
1346 1 25 VAL MG1 1 57 VAL MG1 4.000 . 6.000 3.428 3.330 3.563 . 0 0 "[ . 1 . 2 . 3 .]" 1
1347 1 25 VAL MG1 1 57 VAL HB 4.000 . 5.500 3.005 2.894 3.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
1348 1 25 VAL MG1 1 65 VAL MG1 4.000 . 6.000 3.366 3.175 3.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
1349 1 25 VAL HB 1 78 GLN HB2 4.000 . 5.000 2.347 2.287 2.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
1350 1 25 VAL HB 1 80 PHE QD 4.000 . 5.000 3.586 3.337 3.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
1351 1 25 VAL HB 1 80 PHE QE 4.000 . 5.000 3.002 2.598 3.311 . 0 0 "[ . 1 . 2 . 3 .]" 1
1352 1 25 VAL HA 1 80 PHE QE 4.000 . 6.000 5.696 5.317 5.984 . 0 0 "[ . 1 . 2 . 3 .]" 1
1353 1 25 VAL MG2 1 80 PHE QD 4.000 . 5.500 2.116 2.071 2.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
1354 1 25 VAL MG2 1 80 PHE HB2 4.000 . 5.500 3.448 3.338 3.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
1355 1 26 ASP HB3 1 56 GLU QG 3.000 . 3.500 2.954 2.848 3.091 . 0 0 "[ . 1 . 2 . 3 .]" 1
1356 1 26 ASP HA 1 56 GLU QG 4.000 . 5.500 5.574 5.496 5.632 0.132 32 0 "[ . 1 . 2 . 3 .]" 1
1357 1 26 ASP HB3 1 56 GLU HA 4.000 . 5.000 2.400 2.336 2.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
1358 1 26 ASP HB3 1 57 VAL HB 4.000 . 5.200 5.168 5.005 5.332 0.132 21 0 "[ . 1 . 2 . 3 .]" 1
1359 1 26 ASP HB2 1 77 PHE QE 4.000 . 5.000 2.854 2.523 3.145 . 0 0 "[ . 1 . 2 . 3 .]" 1
1360 1 26 ASP HA 1 77 PHE QD 4.000 . 5.000 2.822 2.565 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
1361 1 26 ASP HB3 1 77 PHE QD 4.000 . 5.000 4.549 4.375 4.780 . 0 0 "[ . 1 . 2 . 3 .]" 1
1362 1 26 ASP HB2 1 77 PHE QD 4.000 . 5.000 2.948 2.743 3.183 . 0 0 "[ . 1 . 2 . 3 .]" 1
1363 1 26 ASP HA 1 77 PHE HA 4.000 . 5.000 2.638 2.556 2.747 . 0 0 "[ . 1 . 2 . 3 .]" 1
1364 1 26 ASP HB2 1 97 LEU MD2 4.000 . 5.500 4.615 4.375 4.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
1365 1 27 PHE HA 1 27 PHE QD 4.000 . 5.000 2.731 2.619 2.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
1366 1 27 PHE HA 1 28 SER HA 4.000 . 5.000 4.759 4.476 4.851 . 0 0 "[ . 1 . 2 . 3 .]" 1
1367 1 27 PHE HA 1 57 VAL HB 4.000 . 5.000 2.327 2.282 2.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
1368 1 27 PHE QD 1 57 VAL MG2 4.000 . 5.500 4.008 3.874 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
1369 1 27 PHE QE 1 57 VAL HB 4.000 . 5.000 3.789 3.680 3.941 . 0 0 "[ . 1 . 2 . 3 .]" 1
1370 1 27 PHE QD 1 57 VAL MG1 4.000 . 5.500 2.584 2.371 2.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
1371 1 27 PHE QD 1 57 VAL HB 4.000 . 5.000 3.106 2.939 3.307 . 0 0 "[ . 1 . 2 . 3 .]" 1
1372 1 27 PHE HB3 1 57 VAL HB 4.000 . 5.000 4.429 4.278 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
1373 1 27 PHE HA 1 57 VAL MG2 4.000 . 5.500 3.931 3.869 4.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
1374 1 27 PHE QE 1 57 VAL MG1 4.000 . 5.500 2.286 2.242 2.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1375 1 27 PHE HA 1 58 ASP HA 3.000 . 4.500 4.639 4.569 4.787 0.287 29 0 "[ . 1 . 2 . 3 .]" 1
1376 1 27 PHE HB3 1 59 VAL MG1 4.000 . 5.500 2.361 2.191 2.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1377 1 27 PHE HB2 1 59 VAL MG1 4.000 . 5.500 3.736 3.556 4.006 . 0 0 "[ . 1 . 2 . 3 .]" 1
1378 1 27 PHE QE 1 65 VAL MG1 4.000 . 5.500 2.289 2.093 2.525 . 0 0 "[ . 1 . 2 . 3 .]" 1
1379 1 27 PHE QD 1 66 ALA HA 4.000 . 5.000 3.547 3.283 3.881 . 0 0 "[ . 1 . 2 . 3 .]" 1
1380 1 27 PHE HB3 1 66 ALA MB 4.000 . 5.500 3.680 3.416 4.103 . 0 0 "[ . 1 . 2 . 3 .]" 1
1381 1 27 PHE QE 1 66 ALA HA 4.000 . 5.000 2.701 2.476 3.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
1382 1 27 PHE QE 1 69 ALA MB 4.000 . 5.500 3.668 3.435 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
1383 1 27 PHE QE 1 71 VAL MG2 3.000 . 3.800 3.615 3.480 3.753 . 0 0 "[ . 1 . 2 . 3 .]" 1
1384 1 27 PHE QD 1 71 VAL MG1 3.000 . 4.000 4.010 3.933 4.127 0.127 21 0 "[ . 1 . 2 . 3 .]" 1
1385 1 27 PHE QD 1 71 VAL MG2 4.000 . 5.500 3.176 3.063 3.305 . 0 0 "[ . 1 . 2 . 3 .]" 1
1386 1 27 PHE HB3 1 71 VAL MG2 4.000 . 5.500 3.162 2.977 3.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
1387 1 27 PHE HB2 1 71 VAL MG1 4.000 . 5.500 3.372 3.267 3.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
1388 1 27 PHE HB2 1 71 VAL MG2 4.000 . 5.500 3.666 3.537 3.809 . 0 0 "[ . 1 . 2 . 3 .]" 1
1389 1 27 PHE HB2 1 74 THR MG 4.000 . 5.500 3.879 3.647 4.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
1390 1 27 PHE HA 1 75 PRO HA 4.000 . 6.000 5.813 5.514 6.031 0.031 35 0 "[ . 1 . 2 . 3 .]" 1
1391 1 27 PHE QE 1 76 THR HB 4.000 . 5.300 5.105 4.916 5.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
1392 1 27 PHE HB2 1 76 THR HB 4.000 . 5.000 2.327 2.265 2.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
1393 1 27 PHE HB3 1 76 THR HB 4.000 . 5.000 3.636 3.564 3.746 . 0 0 "[ . 1 . 2 . 3 .]" 1
1394 1 27 PHE QE 1 78 GLN HB3 4.000 . 5.000 3.615 3.542 3.682 . 0 0 "[ . 1 . 2 . 3 .]" 1
1395 1 27 PHE QE 1 78 GLN HB2 4.000 . 5.000 2.321 2.280 2.420 . 0 0 "[ . 1 . 2 . 3 .]" 1
1396 1 27 PHE QE 1 78 GLN QG 4.000 . 5.000 2.576 2.323 2.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
1397 1 27 PHE QE 1 80 PHE HZ 4.000 . 5.000 4.572 4.234 4.871 . 0 0 "[ . 1 . 2 . 3 .]" 1
1398 1 28 SER HB3 1 29 ALA MB 4.000 . 5.700 4.478 4.405 4.602 . 0 0 "[ . 1 . 2 . 3 .]" 1
1399 1 28 SER HA 1 29 ALA HA 4.000 . 5.000 4.392 4.373 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
1400 1 28 SER HB2 1 30 THR HA 4.000 . 5.000 5.118 5.044 5.207 0.207 20 0 "[ . 1 . 2 . 3 .]" 1
1401 1 28 SER HB3 1 35 ALA HA 4.000 . 5.000 3.988 3.714 4.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
1402 1 28 SER HA 1 35 ALA MB 4.000 . 5.500 2.936 2.681 3.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
1403 1 28 SER HB3 1 35 ALA MB 4.000 . 5.500 2.183 2.078 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
1404 1 28 SER HB3 1 36 LYS QB 4.000 . 5.700 4.938 4.248 5.258 . 0 0 "[ . 1 . 2 . 3 .]" 1
1405 1 28 SER HA 1 74 THR HA 4.000 . 5.000 4.210 4.104 4.387 . 0 0 "[ . 1 . 2 . 3 .]" 1
1406 1 28 SER HB3 1 74 THR MG 4.000 . 5.500 5.606 5.520 5.673 0.173 14 0 "[ . 1 . 2 . 3 .]" 1
1407 1 28 SER HA 1 74 THR MG 3.000 . 3.800 3.717 3.592 3.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
1408 1 28 SER HB3 1 74 THR HB 4.000 . 5.000 4.614 4.485 4.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1409 1 28 SER HA 1 74 THR HB 4.000 . 5.000 2.463 2.342 2.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1410 1 28 SER HA 1 75 PRO HB2 4.000 . 5.000 4.072 3.885 4.512 . 0 0 "[ . 1 . 2 . 3 .]" 1
1411 1 28 SER HA 1 75 PRO HA 4.000 . 5.000 2.365 2.277 2.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
1412 1 28 SER HB3 1 75 PRO QD 4.000 . 6.400 5.288 5.142 5.471 . 0 0 "[ . 1 . 2 . 3 .]" 1
1413 1 29 ALA HA 1 30 THR MG 4.000 . 5.500 3.718 3.624 3.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
1414 1 29 ALA MB 1 31 TRP HD1 4.000 . 5.500 3.016 2.928 3.087 . 0 0 "[ . 1 . 2 . 3 .]" 1
1415 1 29 ALA MB 1 31 TRP HZ2 4.000 . 5.500 3.070 2.917 3.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
1416 1 29 ALA HA 1 32 CYS HB2 4.000 . 5.000 5.003 4.868 5.092 0.092 8 0 "[ . 1 . 2 . 3 .]" 1
1417 1 29 ALA MB 1 32 CYS HB2 4.000 . 5.500 2.188 2.086 2.250 . 0 0 "[ . 1 . 2 . 3 .]" 1
1418 1 29 ALA MB 1 32 CYS HB3 4.000 . 5.500 2.506 2.314 2.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
1419 1 29 ALA MB 1 32 CYS HA 4.000 . 5.500 4.030 3.905 4.097 . 0 0 "[ . 1 . 2 . 3 .]" 1
1420 1 29 ALA MB 1 35 ALA MB 4.000 . 6.000 3.080 2.851 3.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
1421 1 29 ALA MB 1 58 ASP HA 4.000 . 5.500 5.004 4.931 5.085 . 0 0 "[ . 1 . 2 . 3 .]" 1
1422 1 29 ALA HA 1 58 ASP HA 3.000 . 3.500 3.542 3.457 3.609 0.109 16 0 "[ . 1 . 2 . 3 .]" 1
1423 1 29 ALA MB 1 59 VAL MG2 3.000 . 4.300 2.231 2.098 2.397 . 0 0 "[ . 1 . 2 . 3 .]" 1
1424 1 29 ALA MB 1 59 VAL HB 4.000 . 5.500 4.742 4.588 4.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
1425 1 29 ALA MB 1 74 THR MG 3.000 . 4.800 2.993 2.798 3.233 . 0 0 "[ . 1 . 2 . 3 .]" 1
1426 1 29 ALA HA 1 74 THR MG 4.000 . 5.500 4.251 3.984 4.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
1427 1 29 ALA MB 1 74 THR HB 4.000 . 5.500 3.581 3.365 3.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
1428 1 30 THR HA 1 30 THR MG 3.000 . 3.800 3.206 3.195 3.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
1429 1 30 THR HA 1 30 THR HB 2.500 . 2.900 2.469 2.450 2.490 . 0 0 "[ . 1 . 2 . 3 .]" 1
1430 1 30 THR MG 1 31 TRP HD1 4.000 . 5.500 3.061 2.795 3.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
1431 1 30 THR MG 1 31 TRP HB2 4.000 . 5.500 4.423 4.329 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
1432 1 30 THR HA 1 36 LYS QD 4.000 . 5.000 3.539 2.893 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
1433 1 30 THR HA 1 36 LYS HA 4.000 . 5.000 4.155 3.762 4.597 . 0 0 "[ . 1 . 2 . 3 .]" 1
1434 1 30 THR MG 1 36 LYS QD 4.000 . 5.500 4.834 4.246 5.342 . 0 0 "[ . 1 . 2 . 3 .]" 1
1435 1 30 THR HA 1 36 LYS QG 4.000 . 5.000 3.519 3.031 3.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
1436 1 30 THR MG 1 58 ASP HB2 4.000 . 5.500 3.767 3.600 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1437 1 31 TRP HA 1 31 TRP HE3 4.000 . 5.000 4.138 4.076 4.253 . 0 0 "[ . 1 . 2 . 3 .]" 1
1438 1 31 TRP HA 1 31 TRP HD1 4.000 . 5.000 4.433 4.358 4.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
1439 1 31 TRP HA 1 31 TRP HB3 3.000 . 3.500 2.469 2.449 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
1440 1 31 TRP HA 1 31 TRP HB2 3.000 . 3.500 2.443 2.429 2.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
1441 1 31 TRP HB3 1 32 CYS HB2 4.000 . 6.300 5.889 5.761 6.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1442 1 31 TRP HE3 1 32 CYS HA 4.000 . 5.000 2.563 2.383 2.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
1443 1 31 TRP HB2 1 32 CYS HA 4.000 . 5.000 4.589 4.545 4.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
1444 1 31 TRP HD1 1 32 CYS HB3 4.000 . 6.000 6.249 6.143 6.337 0.337 6 0 "[ . 1 . 2 . 3 .]" 1
1445 1 31 TRP HA 1 36 LYS QD 4.000 . 5.300 5.010 4.632 5.381 0.081 21 0 "[ . 1 . 2 . 3 .]" 1
1446 1 31 TRP HD1 1 60 ASP HA 4.000 . 5.000 4.964 4.846 5.031 0.031 21 0 "[ . 1 . 2 . 3 .]" 1
1447 1 32 CYS HB3 1 34 PRO QG 4.000 . 5.000 4.950 4.543 5.141 0.141 6 0 "[ . 1 . 2 . 3 .]" 1
1448 1 32 CYS HA 1 35 ALA MB 4.000 . 5.500 4.575 4.423 4.792 . 0 0 "[ . 1 . 2 . 3 .]" 1
1449 1 32 CYS HB2 1 35 ALA MB 3.000 . 3.800 3.526 3.367 3.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
1450 1 32 CYS HB3 1 35 ALA MB 4.000 . 5.500 2.187 2.064 2.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
1451 1 32 CYS HB2 1 36 LYS QB 4.000 . 6.000 5.903 5.677 6.047 0.047 16 0 "[ . 1 . 2 . 3 .]" 1
1452 1 33 GLY HA3 1 34 PRO QG 4.000 . 5.000 4.303 4.199 4.452 . 0 0 "[ . 1 . 2 . 3 .]" 1
1453 1 33 GLY HA3 1 34 PRO QD 4.000 . 5.000 2.399 2.315 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
1454 1 33 GLY HA2 1 36 LYS QB 4.000 . 5.000 2.822 2.409 3.235 . 0 0 "[ . 1 . 2 . 3 .]" 1
1455 1 34 PRO HA 1 34 PRO QD 4.000 . 5.000 3.380 3.354 3.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1456 1 34 PRO QD 1 35 ALA MB 4.000 . 5.500 4.183 4.084 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
1457 1 34 PRO HA 1 35 ALA MB 4.000 . 6.000 5.035 5.008 5.062 . 0 0 "[ . 1 . 2 . 3 .]" 1
1458 1 34 PRO HB2 1 35 ALA MB 4.000 . 5.500 3.858 3.680 4.256 . 0 0 "[ . 1 . 2 . 3 .]" 1
1459 1 34 PRO HA 1 37 MET ME 4.000 . 5.500 4.436 3.011 5.629 0.129 25 0 "[ . 1 . 2 . 3 .]" 1
1460 1 34 PRO HA 1 37 MET QG 4.000 . 5.000 4.350 3.498 4.915 . 0 0 "[ . 1 . 2 . 3 .]" 1
1461 1 34 PRO HB3 1 37 MET QB 3.000 . 4.700 4.673 4.098 4.800 0.100 5 0 "[ . 1 . 2 . 3 .]" 1
1462 1 34 PRO HB2 1 38 ILE MD 4.000 . 5.500 4.262 3.462 4.838 . 0 0 "[ . 1 . 2 . 3 .]" 1
1463 1 34 PRO HB2 1 75 PRO QD 4.000 . 5.000 4.493 4.274 4.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
1464 1 35 ALA HA 1 38 ILE MD 4.000 . 5.500 2.361 2.217 2.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
1465 1 35 ALA HA 1 38 ILE HB 4.000 . 5.000 3.446 3.046 3.937 . 0 0 "[ . 1 . 2 . 3 .]" 1
1466 1 35 ALA MB 1 74 THR HB 4.000 . 5.000 3.685 3.408 4.002 . 0 0 "[ . 1 . 2 . 3 .]" 1
1467 1 35 ALA HA 1 75 PRO QG 4.000 . 5.000 2.672 2.492 2.977 . 0 0 "[ . 1 . 2 . 3 .]" 1
1468 1 35 ALA MB 1 75 PRO HA 4.000 . 5.000 3.599 3.406 3.852 . 0 0 "[ . 1 . 2 . 3 .]" 1
1469 1 35 ALA HA 1 75 PRO HB3 4.000 . 5.000 3.595 3.285 3.884 . 0 0 "[ . 1 . 2 . 3 .]" 1
1470 1 35 ALA HA 1 75 PRO QD 4.000 . 5.000 3.522 2.974 3.909 . 0 0 "[ . 1 . 2 . 3 .]" 1
1471 1 36 LYS QB 1 36 LYS QD 3.000 . 3.500 2.151 2.115 2.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
1472 1 36 LYS HA 1 36 LYS QD 4.000 . 5.000 4.001 3.971 4.040 . 0 0 "[ . 1 . 2 . 3 .]" 1
1473 1 36 LYS QG 1 37 MET HA 4.000 . 5.000 3.900 3.761 4.047 . 0 0 "[ . 1 . 2 . 3 .]" 1
1474 1 36 LYS QG 1 39 LYS QG 4.000 . 5.000 3.013 2.604 3.284 . 0 0 "[ . 1 . 2 . 3 .]" 1
1475 1 36 LYS HA 1 39 LYS QB 4.000 . 5.000 2.933 2.806 3.048 . 0 0 "[ . 1 . 2 . 3 .]" 1
1476 1 36 LYS HA 1 39 LYS QD 4.000 . 5.000 4.012 3.478 4.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1477 1 36 LYS QG 1 39 LYS HA 4.000 . 5.500 5.569 5.403 5.782 0.282 5 0 "[ . 1 . 2 . 3 .]" 1
1478 1 37 MET QG 1 40 PRO QG 4.000 . 6.000 4.183 3.825 4.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
1479 1 37 MET HA 1 40 PRO QD 4.000 . 5.000 3.473 3.347 3.547 . 0 0 "[ . 1 . 2 . 3 .]" 1
1480 1 38 ILE HA 1 38 ILE MD 4.000 . 5.500 3.863 3.797 3.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
1481 1 38 ILE HA 1 39 LYS HA 4.000 . 5.000 4.768 4.720 4.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
1482 1 38 ILE HB 1 39 LYS HA 4.000 . 5.000 4.282 4.035 4.468 . 0 0 "[ . 1 . 2 . 3 .]" 1
1483 1 38 ILE MG 1 39 LYS HA 4.000 . 5.500 3.881 3.525 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1484 1 38 ILE MG 1 40 PRO QD 4.000 . 6.500 3.883 3.783 4.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
1485 1 38 ILE MG 1 41 PHE HB2 4.000 . 5.500 3.063 2.741 3.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
1486 1 38 ILE HA 1 41 PHE QD 4.000 . 5.000 3.376 2.930 3.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1487 1 38 ILE HA 1 41 PHE HB2 4.000 . 5.000 4.475 4.136 4.910 . 0 0 "[ . 1 . 2 . 3 .]" 1
1488 1 38 ILE QG 1 41 PHE QD 4.000 . 5.500 4.998 4.644 5.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
1489 1 38 ILE HB 1 75 PRO HB2 4.000 . 5.000 5.111 4.945 5.269 0.269 13 0 "[ . 1 . 2 . 3 .]" 1
1490 1 38 ILE MD 1 75 PRO QG 4.000 . 5.500 2.169 2.028 2.319 . 0 0 "[ . 1 . 2 . 3 .]" 1
1491 1 38 ILE HB 1 75 PRO QG 4.000 . 5.000 3.869 3.295 4.252 . 0 0 "[ . 1 . 2 . 3 .]" 1
1492 1 38 ILE MD 1 77 PHE HZ 4.000 . 5.500 3.925 3.260 4.361 . 0 0 "[ . 1 . 2 . 3 .]" 1
1493 1 38 ILE MD 1 77 PHE QE 4.000 . 5.500 4.274 3.737 4.686 . 0 0 "[ . 1 . 2 . 3 .]" 1
1494 1 38 ILE HB 1 77 PHE HZ 4.000 . 5.000 4.202 3.719 4.784 . 0 0 "[ . 1 . 2 . 3 .]" 1
1495 1 38 ILE QG 1 77 PHE HZ 4.000 . 5.500 5.463 5.112 5.670 0.170 1 0 "[ . 1 . 2 . 3 .]" 1
1496 1 38 ILE MG 1 77 PHE HZ 4.000 . 5.500 3.010 2.780 3.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
1497 1 38 ILE HB 1 92 ALA MB 4.000 . 5.500 4.624 4.370 4.895 . 0 0 "[ . 1 . 2 . 3 .]" 1
1498 1 38 ILE MD 1 92 ALA MB 3.000 . 4.300 1.860 1.800 1.944 . 0 0 "[ . 1 . 2 . 3 .]" 1
1499 1 38 ILE MD 1 92 ALA HA 3.000 . 3.800 2.367 2.150 2.738 . 0 0 "[ . 1 . 2 . 3 .]" 1
1500 1 38 ILE MG 1 92 ALA HA 4.000 . 5.500 3.490 2.996 3.814 . 0 0 "[ . 1 . 2 . 3 .]" 1
1501 1 38 ILE HA 1 94 LYS QD 4.000 . 5.000 4.220 3.708 5.026 0.026 18 0 "[ . 1 . 2 . 3 .]" 1
1502 1 38 ILE QG 1 94 LYS QE 4.000 . 5.500 5.254 3.200 5.638 0.138 22 0 "[ . 1 . 2 . 3 .]" 1
1503 1 38 ILE MD 1 94 LYS QD 4.000 . 5.500 4.219 3.691 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
1504 1 38 ILE MG 1 94 LYS HB2 4.000 . 5.500 3.836 3.325 4.436 . 0 0 "[ . 1 . 2 . 3 .]" 1
1505 1 38 ILE MG 1 94 LYS HB3 4.000 . 5.500 2.529 2.173 3.082 . 0 0 "[ . 1 . 2 . 3 .]" 1
1506 1 38 ILE MG 1 97 LEU MD1 4.000 . 6.000 3.728 3.133 4.112 . 0 0 "[ . 1 . 2 . 3 .]" 1
1507 1 39 LYS HA 1 39 LYS QD 4.000 . 5.000 4.515 4.153 4.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
1508 1 39 LYS QB 1 39 LYS QD 3.000 . 3.500 2.359 2.058 2.568 . 0 0 "[ . 1 . 2 . 3 .]" 1
1509 1 39 LYS QG 1 40 PRO QD 4.000 . 5.000 2.060 2.016 2.143 . 0 0 "[ . 1 . 2 . 3 .]" 1
1510 1 39 LYS HA 1 40 PRO QD 4.000 . 5.000 3.512 3.494 3.535 . 0 0 "[ . 1 . 2 . 3 .]" 1
1511 1 39 LYS QB 1 40 PRO QD 4.000 . 5.000 3.320 3.252 3.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
1512 1 39 LYS HA 1 40 PRO QG 4.000 . 5.300 5.256 5.227 5.315 0.015 21 0 "[ . 1 . 2 . 3 .]" 1
1513 1 39 LYS HA 1 41 PHE QD 4.000 . 6.000 5.565 5.147 6.075 0.075 25 0 "[ . 1 . 2 . 3 .]" 1
1514 1 39 LYS HA 1 42 PHE HB2 4.000 . 5.000 3.607 3.172 3.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
1515 1 39 LYS HA 1 42 PHE HB3 4.000 . 5.000 2.525 2.342 2.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
1516 1 39 LYS HA 1 42 PHE QD 4.000 . 5.000 3.952 3.789 4.106 . 0 0 "[ . 1 . 2 . 3 .]" 1
1517 1 39 LYS QG 1 43 HIS HD1 4.000 . 5.000 5.077 4.846 5.212 0.212 20 0 "[ . 1 . 2 . 3 .]" 1
1518 1 39 LYS QE 1 43 HIS QB 2.500 . 2.900 2.519 2.214 3.102 0.202 35 0 "[ . 1 . 2 . 3 .]" 1
1519 1 39 LYS QD 1 43 HIS HD2 4.000 . 6.300 6.526 6.462 6.592 0.292 18 0 "[ . 1 . 2 . 3 .]" 1
1520 1 40 PRO HA 1 40 PRO QD 4.000 . 5.000 3.444 3.362 3.466 . 0 0 "[ . 1 . 2 . 3 .]" 1
1521 1 40 PRO HA 1 40 PRO HB3 3.000 . 3.500 2.308 2.299 2.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1522 1 40 PRO HB2 1 40 PRO HG3 2.500 . 2.900 3.003 2.991 3.009 0.109 6 0 "[ . 1 . 2 . 3 .]" 1
1523 1 40 PRO HB3 1 40 PRO HG3 2.500 . 2.900 2.327 2.309 2.336 . 0 0 "[ . 1 . 2 . 3 .]" 1
1524 1 40 PRO HB2 1 41 PHE HD1 4.000 . 5.000 3.010 2.775 3.144 . 0 0 "[ . 1 . 2 . 3 .]" 1
1525 1 40 PRO HB2 1 41 PHE HA 4.000 . 5.000 4.028 3.994 4.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
1526 1 40 PRO HB2 1 41 PHE HB3 4.000 . 5.500 5.652 5.600 5.734 0.234 21 0 "[ . 1 . 2 . 3 .]" 1
1527 1 40 PRO QG 1 41 PHE QE 4.000 . 5.000 4.205 3.949 4.651 . 0 0 "[ . 1 . 2 . 3 .]" 1
1528 1 40 PRO HA 1 43 HIS QB 4.000 . 5.000 2.638 2.467 2.826 . 0 0 "[ . 1 . 2 . 3 .]" 1
1529 1 40 PRO HA 1 44 SER HA 4.000 . 5.000 5.164 5.110 5.224 0.224 35 0 "[ . 1 . 2 . 3 .]" 1
1530 1 41 PHE HA 1 41 PHE QE 4.000 . 5.000 4.599 4.507 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
1531 1 41 PHE HA 1 41 PHE QD 4.000 . 5.000 3.077 3.030 3.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1532 1 41 PHE QD 1 42 PHE HA 4.000 . 5.800 5.825 5.764 5.872 0.072 5 0 "[ . 1 . 2 . 3 .]" 1
1533 1 41 PHE HA 1 44 SER QB 4.000 . 5.000 2.545 2.348 2.676 . 0 0 "[ . 1 . 2 . 3 .]" 1
1534 1 41 PHE QD 1 45 LEU MD2 4.000 . 5.500 4.557 3.974 4.907 . 0 0 "[ . 1 . 2 . 3 .]" 1
1535 1 41 PHE QD 1 94 LYS QG 4.000 . 5.000 2.695 2.496 3.196 . 0 0 "[ . 1 . 2 . 3 .]" 1
1536 1 41 PHE QD 1 94 LYS QD 4.000 . 5.000 3.479 3.172 4.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
1537 1 41 PHE QE 1 94 LYS QD 4.000 . 5.000 3.651 3.298 4.699 . 0 0 "[ . 1 . 2 . 3 .]" 1
1538 1 41 PHE HB2 1 94 LYS HA 4.000 . 5.000 4.281 4.096 4.813 . 0 0 "[ . 1 . 2 . 3 .]" 1
1539 1 41 PHE QE 1 94 LYS QE 4.000 . 5.000 3.016 2.579 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
1540 1 41 PHE QD 1 94 LYS QE 4.000 . 5.000 3.772 2.416 4.280 . 0 0 "[ . 1 . 2 . 3 .]" 1
1541 1 41 PHE QD 1 94 LYS HB2 4.000 . 5.000 2.949 2.760 3.445 . 0 0 "[ . 1 . 2 . 3 .]" 1
1542 1 41 PHE QE 1 94 LYS HB2 4.000 . 5.000 4.553 4.400 5.107 0.107 18 0 "[ . 1 . 2 . 3 .]" 1
1543 1 41 PHE HB3 1 94 LYS QE 4.000 . 5.000 5.130 3.943 5.330 0.330 24 0 "[ . 1 . 2 . 3 .]" 1
1544 1 41 PHE QD 1 94 LYS HA 4.000 . 5.000 5.133 5.028 5.396 0.396 18 0 "[ . 1 . 2 . 3 .]" 1
1545 1 41 PHE HB2 1 94 LYS QD 4.000 . 5.000 3.826 3.055 4.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1546 1 41 PHE HB2 1 94 LYS HD3 4.000 . 5.500 5.169 4.488 5.674 0.174 25 0 "[ . 1 . 2 . 3 .]" 1
1547 1 41 PHE QD 1 95 GLU HA 4.000 . 5.000 5.050 4.671 5.155 0.155 24 0 "[ . 1 . 2 . 3 .]" 1
1548 1 41 PHE QD 1 95 GLU QG 4.000 . 5.000 4.838 4.459 5.012 0.012 26 0 "[ . 1 . 2 . 3 .]" 1
1549 1 41 PHE QD 1 97 LEU MD1 4.000 . 5.000 5.064 4.965 5.176 0.176 31 0 "[ . 1 . 2 . 3 .]" 1
1550 1 42 PHE HA 1 42 PHE QD 4.000 . 5.000 2.711 2.631 2.801 . 0 0 "[ . 1 . 2 . 3 .]" 1
1551 1 42 PHE QD 1 43 HIS HA 4.000 . 5.000 3.304 3.151 3.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
1552 1 42 PHE QD 1 43 HIS HD1 4.000 . 6.300 4.598 4.430 4.791 . 0 0 "[ . 1 . 2 . 3 .]" 1
1553 1 42 PHE QD 1 43 HIS QB 4.000 . 5.000 3.284 3.017 3.561 . 0 0 "[ . 1 . 2 . 3 .]" 1
1554 1 42 PHE QD 1 45 LEU MD1 4.000 . 5.500 4.050 3.854 4.316 . 0 0 "[ . 1 . 2 . 3 .]" 1
1555 1 42 PHE HA 1 45 LEU HG 4.000 . 5.000 4.245 3.953 4.488 . 0 0 "[ . 1 . 2 . 3 .]" 1
1556 1 42 PHE HA 1 45 LEU HB3 4.000 . 5.000 4.783 4.610 5.022 0.022 14 0 "[ . 1 . 2 . 3 .]" 1
1557 1 42 PHE HA 1 45 LEU HB2 4.000 . 5.000 3.219 3.074 3.440 . 0 0 "[ . 1 . 2 . 3 .]" 1
1558 1 42 PHE HA 1 45 LEU MD1 3.000 . 3.800 2.394 2.290 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1559 1 42 PHE QD 1 77 PHE QE 4.000 . 5.000 2.866 2.595 3.187 . 0 0 "[ . 1 . 2 . 3 .]" 1
1560 1 42 PHE QD 1 77 PHE QD 4.000 . 5.000 3.359 3.192 3.553 . 0 0 "[ . 1 . 2 . 3 .]" 1
1561 1 42 PHE QD 1 77 PHE HZ 4.000 . 5.200 4.816 4.546 5.199 . 0 0 "[ . 1 . 2 . 3 .]" 1
1562 1 42 PHE HB2 1 77 PHE QE 4.000 . 5.000 2.993 2.791 3.205 . 0 0 "[ . 1 . 2 . 3 .]" 1
1563 1 42 PHE HB2 1 94 LYS HA 4.000 . 5.200 5.356 5.246 5.469 0.269 16 0 "[ . 1 . 2 . 3 .]" 1
1564 1 42 PHE QD 1 97 LEU MD1 3.000 . 3.800 2.170 2.071 2.271 . 0 0 "[ . 1 . 2 . 3 .]" 1
1565 1 42 PHE QD 1 97 LEU HB3 4.000 . 5.000 4.373 4.197 4.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
1566 1 42 PHE QD 1 97 LEU MD2 4.000 . 5.500 2.825 2.357 3.110 . 0 0 "[ . 1 . 2 . 3 .]" 1
1567 1 42 PHE HB2 1 97 LEU MD2 4.000 . 5.500 4.483 3.992 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
1568 1 42 PHE HB2 1 97 LEU MD1 4.000 . 5.500 2.804 2.563 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
1569 1 42 PHE HA 1 97 LEU MD1 4.000 . 5.500 2.743 2.564 3.043 . 0 0 "[ . 1 . 2 . 3 .]" 1
1570 1 43 HIS HA 1 43 HIS HD2 4.000 . 5.000 4.163 4.080 4.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
1571 1 43 HIS HD2 1 44 SER HA 4.000 . 5.000 3.092 2.914 3.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
1572 1 43 HIS HE1 1 46 SER QB 4.000 . 5.200 5.240 5.085 5.323 0.123 3 0 "[ . 1 . 2 . 3 .]" 1
1573 1 43 HIS HA 1 46 SER QB 4.000 . 5.000 3.905 3.770 4.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
1574 1 44 SER HA 1 47 GLU HB2 4.000 . 5.000 4.272 4.004 4.775 . 0 0 "[ . 1 . 2 . 3 .]" 1
1575 1 44 SER HA 1 47 GLU QG 4.000 . 5.000 4.791 4.234 5.112 0.112 26 0 "[ . 1 . 2 . 3 .]" 1
1576 1 45 LEU HB2 1 45 LEU MD2 3.000 . 3.800 3.187 3.175 3.206 . 0 0 "[ . 1 . 2 . 3 .]" 1
1577 1 45 LEU HA 1 45 LEU MD2 2.500 . 3.200 2.225 2.168 2.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
1578 1 45 LEU HB3 1 45 LEU MD2 3.000 . 3.800 2.203 2.185 2.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
1579 1 45 LEU HB3 1 45 LEU MD1 2.500 . 3.200 2.549 2.458 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1580 1 45 LEU HB2 1 45 LEU MD1 3.000 . 3.800 2.252 2.209 2.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
1581 1 45 LEU HA 1 45 LEU MD1 4.000 . 5.500 3.825 3.793 3.845 . 0 0 "[ . 1 . 2 . 3 .]" 1
1582 1 45 LEU HA 1 47 GLU HB2 4.000 . 5.200 5.016 4.858 5.201 0.001 22 0 "[ . 1 . 2 . 3 .]" 1
1583 1 45 LEU HA 1 48 LYS HA 4.000 . 5.000 4.559 4.440 4.711 . 0 0 "[ . 1 . 2 . 3 .]" 1
1584 1 45 LEU HA 1 48 LYS HB3 4.000 . 5.000 2.350 2.286 2.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1585 1 45 LEU HA 1 48 LYS HB2 4.000 . 5.000 2.473 2.260 2.639 . 0 0 "[ . 1 . 2 . 3 .]" 1
1586 1 45 LEU HA 1 48 LYS QG 4.000 . 5.000 4.148 3.582 4.384 . 0 0 "[ . 1 . 2 . 3 .]" 1
1587 1 45 LEU MD2 1 48 LYS QD 4.000 . 5.500 2.277 1.897 3.923 . 0 0 "[ . 1 . 2 . 3 .]" 1
1588 1 45 LEU HA 1 48 LYS QD 4.000 . 5.000 3.665 3.381 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1589 1 45 LEU HB3 1 49 TYR QE 4.000 . 5.000 3.981 3.716 4.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
1590 1 45 LEU MD2 1 49 TYR QE 2.500 . 3.200 2.319 2.245 2.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
1591 1 45 LEU HB3 1 49 TYR QD 4.000 . 5.000 2.657 2.508 2.997 . 0 0 "[ . 1 . 2 . 3 .]" 1
1592 1 45 LEU HA 1 49 TYR QE 4.000 . 5.000 4.950 4.812 5.074 0.074 14 0 "[ . 1 . 2 . 3 .]" 1
1593 1 45 LEU MD2 1 49 TYR QD 3.000 . 3.800 2.708 2.339 3.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
1594 1 45 LEU MD1 1 49 TYR QB 4.000 . 5.700 5.401 5.147 5.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
1595 1 45 LEU MD1 1 49 TYR QE 4.000 . 5.500 4.045 3.733 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
1596 1 45 LEU MD1 1 49 TYR QD 4.000 . 5.500 4.060 3.812 4.306 . 0 0 "[ . 1 . 2 . 3 .]" 1
1597 1 45 LEU HA 1 49 TYR HD2 4.000 . 5.000 4.067 3.579 4.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
1598 1 45 LEU HB3 1 52 VAL MG2 4.000 . 6.500 6.460 6.276 6.577 0.077 7 0 "[ . 1 . 2 . 3 .]" 1
1599 1 45 LEU HB3 1 54 PHE QE 4.000 . 5.000 3.237 2.793 3.528 . 0 0 "[ . 1 . 2 . 3 .]" 1
1600 1 45 LEU MD1 1 54 PHE QE 4.000 . 5.500 3.165 2.680 3.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
1601 1 45 LEU HB2 1 54 PHE HZ 4.000 . 5.000 3.844 3.682 3.983 . 0 0 "[ . 1 . 2 . 3 .]" 1
1602 1 45 LEU HB3 1 54 PHE HZ 4.000 . 5.000 2.878 2.556 3.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
1603 1 45 LEU MD1 1 54 PHE HZ 4.000 . 5.500 4.098 3.717 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
1604 1 45 LEU MD1 1 98 GLU HA 4.000 . 5.500 3.928 3.680 4.222 . 0 0 "[ . 1 . 2 . 3 .]" 1
1605 1 45 LEU MD1 1 98 GLU QB 4.000 . 5.500 3.661 3.450 3.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
1606 1 45 LEU MD2 1 98 GLU HG3 4.000 . 5.500 4.167 3.597 5.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1607 1 45 LEU MD2 1 101 ILE MD 3.000 . 5.200 3.478 3.072 3.787 . 0 0 "[ . 1 . 2 . 3 .]" 1
1608 1 45 LEU MD1 1 101 ILE HB 4.000 . 5.500 5.357 4.993 5.521 0.021 33 0 "[ . 1 . 2 . 3 .]" 1
1609 1 45 LEU HB3 1 101 ILE MD 4.000 . 5.500 3.524 3.326 3.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
1610 1 45 LEU HG 1 101 ILE MD 4.000 . 5.500 5.282 4.981 5.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
1611 1 45 LEU MD1 1 101 ILE MD 2.500 . 3.700 2.914 2.543 3.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
1612 1 46 SER QB 1 47 GLU HA 4.000 . 5.000 3.988 3.945 4.044 . 0 0 "[ . 1 . 2 . 3 .]" 1
1613 1 46 SER QB 1 54 PHE QE 4.000 . 5.200 4.476 4.371 4.671 . 0 0 "[ . 1 . 2 . 3 .]" 1
1614 1 46 SER HA 1 54 PHE QD 4.000 . 5.000 2.603 2.491 2.695 . 0 0 "[ . 1 . 2 . 3 .]" 1
1615 1 46 SER HA 1 54 PHE HZ 4.000 . 5.000 4.064 3.940 4.274 . 0 0 "[ . 1 . 2 . 3 .]" 1
1616 1 46 SER HA 1 54 PHE QE 4.000 . 5.000 2.665 2.595 2.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
1617 1 47 GLU HA 1 47 GLU HB3 3.000 . 3.500 2.532 2.503 2.549 . 0 0 "[ . 1 . 2 . 3 .]" 1
1618 1 47 GLU HA 1 47 GLU QG 3.000 . 3.500 2.492 2.284 2.842 . 0 0 "[ . 1 . 2 . 3 .]" 1
1619 1 47 GLU HB2 1 48 LYS HB2 4.000 . 5.000 4.704 4.533 4.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
1620 1 47 GLU HA 1 50 SER HB2 3.000 . 3.900 4.124 4.057 4.200 0.300 25 0 "[ . 1 . 2 . 3 .]" 1
1621 1 48 LYS QE 1 48 LYS QG . . 3.500 2.197 2.103 2.696 . 0 0 "[ . 1 . 2 . 3 .]" 1
1622 1 48 LYS HB2 1 48 LYS QE 4.000 . 5.000 3.701 2.241 4.265 . 0 0 "[ . 1 . 2 . 3 .]" 1
1623 1 48 LYS HA 1 48 LYS QG 3.000 . 3.500 2.411 2.218 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
1624 1 48 LYS HA 1 48 LYS HB2 3.000 . 3.500 2.529 2.503 2.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1625 1 48 LYS HB3 1 48 LYS QE 4.000 . 5.000 3.882 3.060 4.532 . 0 0 "[ . 1 . 2 . 3 .]" 1
1626 1 48 LYS HA 1 48 LYS HD3 4.000 . 5.000 4.293 2.312 4.819 . 0 0 "[ . 1 . 2 . 3 .]" 1
1627 1 48 LYS HB3 1 48 LYS QD 3.000 . 3.500 2.481 2.188 3.328 . 0 0 "[ . 1 . 2 . 3 .]" 1
1628 1 48 LYS HB2 1 48 LYS QD 3.000 . 3.500 2.570 2.277 3.332 . 0 0 "[ . 1 . 2 . 3 .]" 1
1629 1 48 LYS HA 1 48 LYS QD 4.000 . 5.000 3.710 2.154 4.175 . 0 0 "[ . 1 . 2 . 3 .]" 1
1630 1 48 LYS HB3 1 49 TYR QD 4.000 . 5.000 2.893 2.351 3.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
1631 1 48 LYS QD 1 49 TYR QD 4.000 . 5.000 3.551 2.829 5.015 0.015 23 0 "[ . 1 . 2 . 3 .]" 1
1632 1 48 LYS HB3 1 49 TYR QB 4.000 . 5.000 4.022 3.820 4.141 . 0 0 "[ . 1 . 2 . 3 .]" 1
1633 1 48 LYS HB2 1 49 TYR QE 4.000 . 5.000 4.945 4.650 5.102 0.102 16 0 "[ . 1 . 2 . 3 .]" 1
1634 1 48 LYS QE 1 49 TYR QE 4.000 . 5.000 3.604 3.036 4.522 . 0 0 "[ . 1 . 2 . 3 .]" 1
1635 1 48 LYS QG 1 49 TYR QD 4.000 . 5.000 3.645 3.196 4.366 . 0 0 "[ . 1 . 2 . 3 .]" 1
1636 1 48 LYS QG 1 49 TYR QB 4.000 . 5.000 4.594 4.338 5.319 0.319 16 0 "[ . 1 . 2 . 3 .]" 1
1637 1 48 LYS QG 1 49 TYR QE 4.000 . 5.000 3.403 2.663 4.257 . 0 0 "[ . 1 . 2 . 3 .]" 1
1638 1 48 LYS QB 1 49 TYR QD 4.000 . 5.000 2.863 2.337 2.998 . 0 0 "[ . 1 . 2 . 3 .]" 1
1639 1 48 LYS QD 1 49 TYR QE 4.000 . 5.000 2.645 2.207 4.788 . 0 0 "[ . 1 . 2 . 3 .]" 1
1640 1 48 LYS HA 1 50 SER HB3 4.000 . 6.000 5.557 5.442 5.666 . 0 0 "[ . 1 . 2 . 3 .]" 1
1641 1 48 LYS HB3 1 54 PHE HZ 4.000 . 5.000 4.896 4.654 5.044 0.044 26 0 "[ . 1 . 2 . 3 .]" 1
1642 1 49 TYR QB 1 49 TYR QE 4.000 . 5.000 3.968 3.949 3.976 . 0 0 "[ . 1 . 2 . 3 .]" 1
1643 1 49 TYR HA 1 49 TYR QE 4.000 . 5.000 4.455 4.392 4.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
1644 1 49 TYR HA 1 49 TYR QD 3.000 . 3.500 2.538 2.429 2.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
1645 1 49 TYR HA 1 50 SER HA 4.000 . 5.000 4.647 4.623 4.673 . 0 0 "[ . 1 . 2 . 3 .]" 1
1646 1 49 TYR QB 1 52 VAL HB 4.000 . 5.000 2.303 2.179 2.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1647 1 49 TYR QB 1 52 VAL MG1 4.000 . 5.500 3.478 3.339 3.858 . 0 0 "[ . 1 . 2 . 3 .]" 1
1648 1 49 TYR QB 1 52 VAL MG2 3.000 . 3.800 2.373 2.190 2.632 . 0 0 "[ . 1 . 2 . 3 .]" 1
1649 1 49 TYR QE 1 52 VAL MG2 4.000 . 5.500 5.079 4.747 5.374 . 0 0 "[ . 1 . 2 . 3 .]" 1
1650 1 49 TYR QD 1 52 VAL MG2 4.000 . 5.500 3.640 3.263 3.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
1651 1 49 TYR HA 1 52 VAL MG2 4.000 . 5.500 4.269 4.028 4.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
1652 1 49 TYR QE 1 54 PHE HZ 4.000 . 5.000 4.673 4.511 4.980 . 0 0 "[ . 1 . 2 . 3 .]" 1
1653 1 49 TYR QD 1 54 PHE QE 4.000 . 5.000 3.783 3.665 4.070 . 0 0 "[ . 1 . 2 . 3 .]" 1
1654 1 49 TYR HA 1 54 PHE QE 4.000 . 5.000 4.862 4.743 4.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
1655 1 49 TYR QB 1 54 PHE HZ 4.000 . 5.000 2.464 2.326 2.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
1656 1 49 TYR QB 1 54 PHE QE 4.000 . 5.000 2.390 2.275 2.519 . 0 0 "[ . 1 . 2 . 3 .]" 1
1657 1 49 TYR QD 1 54 PHE HZ 4.000 . 5.000 2.634 2.395 3.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
1658 1 49 TYR QE 1 98 GLU QG 4.000 . 5.000 3.191 2.724 4.389 . 0 0 "[ . 1 . 2 . 3 .]" 1
1659 1 49 TYR QE 1 101 ILE MG 4.000 . 5.500 3.554 3.362 3.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
1660 1 49 TYR QD 1 101 ILE MG 4.000 . 5.500 3.224 3.096 3.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
1661 1 49 TYR QE 1 101 ILE MD 4.000 . 5.500 3.429 3.215 3.965 . 0 0 "[ . 1 . 2 . 3 .]" 1
1662 1 49 TYR HD2 1 101 ILE MD 4.000 . 5.500 2.980 2.722 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
1663 1 49 TYR QB 1 101 ILE MG 4.000 . 5.500 3.159 2.976 3.365 . 0 0 "[ . 1 . 2 . 3 .]" 1
1664 1 49 TYR QE 1 105 VAL MG2 4.000 . 5.500 4.324 3.792 4.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
1665 1 49 TYR QD 1 105 VAL MG2 4.000 . 5.500 3.956 3.548 4.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
1666 1 50 SER HA 1 50 SER HB3 2.500 . 2.900 2.534 2.518 2.571 . 0 0 "[ . 1 . 2 . 3 .]" 1
1667 1 50 SER HA 1 50 SER HB2 2.500 . 2.900 2.401 2.378 2.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
1668 1 51 ASN HA 1 51 ASN HB2 2.500 . 2.900 2.537 2.372 2.588 . 0 0 "[ . 1 . 2 . 3 .]" 1
1669 1 51 ASN HA 1 51 ASN HB3 2.500 . 3.000 3.026 3.016 3.031 0.031 18 0 "[ . 1 . 2 . 3 .]" 1
1670 1 51 ASN HB3 1 52 VAL HB 4.000 . 5.000 4.880 4.717 5.008 0.008 17 0 "[ . 1 . 2 . 3 .]" 1
1671 1 51 ASN HA 1 52 VAL MG2 4.000 . 5.500 4.540 4.481 4.669 . 0 0 "[ . 1 . 2 . 3 .]" 1
1672 1 51 ASN HB2 1 52 VAL MG2 4.000 . 5.600 4.558 4.464 4.657 . 0 0 "[ . 1 . 2 . 3 .]" 1
1673 1 51 ASN HA 1 52 VAL HA 3.000 . 4.500 4.540 4.514 4.603 0.103 10 0 "[ . 1 . 2 . 3 .]" 1
1674 1 51 ASN HA 1 53 ILE MD 4.000 . 5.500 4.516 4.349 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
1675 1 51 ASN HB3 1 105 VAL MG2 4.000 . 5.500 4.282 3.915 4.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
1676 1 52 VAL HA 1 52 VAL MG1 3.000 . 3.800 2.412 2.343 2.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
1677 1 52 VAL HA 1 52 VAL MG2 2.500 . 3.200 2.253 2.220 2.304 . 0 0 "[ . 1 . 2 . 3 .]" 1
1678 1 52 VAL HA 1 53 ILE HB 4.000 . 5.000 4.843 4.772 4.898 . 0 0 "[ . 1 . 2 . 3 .]" 1
1679 1 52 VAL MG1 1 53 ILE QG 4.000 . 5.500 4.029 3.862 4.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
1680 1 52 VAL HA 1 53 ILE MD 4.000 . 5.500 3.655 3.539 3.765 . 0 0 "[ . 1 . 2 . 3 .]" 1
1681 1 52 VAL HA 1 53 ILE QG 4.000 . 5.300 3.469 3.419 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
1682 1 52 VAL MG1 1 54 PHE QD 4.000 . 5.500 3.278 3.149 3.472 . 0 0 "[ . 1 . 2 . 3 .]" 1
1683 1 52 VAL MG2 1 54 PHE QE 4.000 . 5.500 3.950 3.887 4.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
1684 1 52 VAL HB 1 54 PHE QE 4.000 . 5.000 2.372 2.280 2.508 . 0 0 "[ . 1 . 2 . 3 .]" 1
1685 1 52 VAL MG1 1 54 PHE QE 4.000 . 5.500 2.810 2.645 3.131 . 0 0 "[ . 1 . 2 . 3 .]" 1
1686 1 52 VAL MG1 1 54 PHE HZ 4.000 . 5.500 3.362 3.181 3.585 . 0 0 "[ . 1 . 2 . 3 .]" 1
1687 1 52 VAL MG2 1 54 PHE HZ 4.000 . 5.500 4.250 4.117 4.379 . 0 0 "[ . 1 . 2 . 3 .]" 1
1688 1 52 VAL HB 1 54 PHE HZ 4.000 . 5.000 3.521 3.327 3.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
1689 1 52 VAL HB 1 54 PHE QD 4.000 . 5.000 4.086 3.997 4.203 . 0 0 "[ . 1 . 2 . 3 .]" 1
1690 1 52 VAL HA 1 101 ILE MG 4.000 . 5.700 5.429 5.235 5.613 . 0 0 "[ . 1 . 2 . 3 .]" 1
1691 1 52 VAL HB 1 101 ILE MG 4.000 . 5.800 3.867 3.587 4.034 . 0 0 "[ . 1 . 2 . 3 .]" 1
1692 1 52 VAL HB 1 101 ILE MD 4.000 . 6.000 4.538 4.164 4.793 . 0 0 "[ . 1 . 2 . 3 .]" 1
1693 1 52 VAL MG1 1 101 ILE MG 2.500 . 4.000 3.032 2.896 3.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
1694 1 52 VAL MG2 1 101 ILE MG 2.500 . 3.700 2.388 2.153 2.546 . 0 0 "[ . 1 . 2 . 3 .]" 1
1695 1 52 VAL MG2 1 105 VAL MG2 4.000 . 6.000 2.986 2.828 3.123 . 0 0 "[ . 1 . 2 . 3 .]" 1
1696 1 52 VAL MG2 1 105 VAL HB 4.000 . 5.500 4.147 3.897 4.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
1697 1 52 VAL MG2 1 105 VAL HA 4.000 . 5.500 3.929 3.687 4.193 . 0 0 "[ . 1 . 2 . 3 .]" 1
1698 1 53 ILE HA 1 53 ILE MD 2.500 . 3.200 2.110 2.073 2.142 . 0 0 "[ . 1 . 2 . 3 .]" 1
1699 1 53 ILE HA 1 53 ILE MG 2.500 . 3.200 2.355 2.317 2.380 . 0 0 "[ . 1 . 2 . 3 .]" 1
1700 1 53 ILE HB 1 53 ILE MD 3.000 . 3.800 3.215 3.206 3.225 . 0 0 "[ . 1 . 2 . 3 .]" 1
1701 1 53 ILE MG 1 54 PHE HA 4.000 . 5.500 4.087 4.002 4.169 . 0 0 "[ . 1 . 2 . 3 .]" 1
1702 1 53 ILE MG 1 54 PHE HB2 4.000 . 5.700 4.666 4.572 4.745 . 0 0 "[ . 1 . 2 . 3 .]" 1
1703 1 53 ILE HA 1 54 PHE HD1 4.000 . 5.000 3.286 3.174 3.405 . 0 0 "[ . 1 . 2 . 3 .]" 1
1704 1 53 ILE MG 1 55 LEU HG 4.000 . 5.500 3.837 3.655 4.015 . 0 0 "[ . 1 . 2 . 3 .]" 1
1705 1 53 ILE HA 1 55 LEU MD1 4.000 . 5.500 4.089 4.003 4.162 . 0 0 "[ . 1 . 2 . 3 .]" 1
1706 1 53 ILE MG 1 55 LEU HA 4.000 . 5.500 4.387 4.274 4.514 . 0 0 "[ . 1 . 2 . 3 .]" 1
1707 1 53 ILE MG 1 55 LEU MD1 2.500 . 3.700 1.983 1.882 2.089 . 0 0 "[ . 1 . 2 . 3 .]" 1
1708 1 54 PHE HA 1 54 PHE HD2 4.000 . 5.000 3.372 3.285 3.478 . 0 0 "[ . 1 . 2 . 3 .]" 1
1709 1 54 PHE HB2 1 54 PHE QE 4.000 . 5.000 4.474 4.462 4.491 . 0 0 "[ . 1 . 2 . 3 .]" 1
1710 1 54 PHE HA 1 55 LEU MD1 4.000 . 5.500 3.057 2.989 3.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
1711 1 54 PHE QE 1 101 ILE MG 4.000 . 5.500 4.210 4.114 4.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
1712 1 54 PHE QE 1 101 ILE QG 4.000 . 5.500 3.839 3.754 3.950 . 0 0 "[ . 1 . 2 . 3 .]" 1
1713 1 54 PHE QD 1 101 ILE MD 4.000 . 5.500 4.162 4.069 4.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1714 1 54 PHE HZ 1 101 ILE MD 4.000 . 5.500 2.379 2.269 2.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
1715 1 54 PHE QE 1 101 ILE MD 3.000 . 3.800 2.283 2.227 2.372 . 0 0 "[ . 1 . 2 . 3 .]" 1
1716 1 54 PHE HZ 1 101 ILE MG 4.000 . 5.500 3.451 3.329 3.555 . 0 0 "[ . 1 . 2 . 3 .]" 1
1717 1 54 PHE QE 1 101 ILE HB 4.000 . 5.500 5.587 5.539 5.642 0.142 33 0 "[ . 1 . 2 . 3 .]" 1
1718 1 55 LEU HB2 1 55 LEU MD2 3.000 . 3.800 2.283 2.223 2.386 . 0 0 "[ . 1 . 2 . 3 .]" 1
1719 1 55 LEU HA 1 55 LEU MD2 4.000 . 5.500 3.839 3.808 3.879 . 0 0 "[ . 1 . 2 . 3 .]" 1
1720 1 55 LEU HA 1 55 LEU MD1 3.000 . 3.800 2.515 2.264 2.731 . 0 0 "[ . 1 . 2 . 3 .]" 1
1721 1 55 LEU HA 1 55 LEU HG 4.000 . 5.000 2.598 2.493 2.736 . 0 0 "[ . 1 . 2 . 3 .]" 1
1722 1 55 LEU HA 1 56 GLU QB 4.000 . 5.000 4.074 4.036 4.119 . 0 0 "[ . 1 . 2 . 3 .]" 1
1723 1 55 LEU HB3 1 57 VAL HA 4.000 . 5.200 5.365 5.299 5.421 0.221 13 0 "[ . 1 . 2 . 3 .]" 1
1724 1 55 LEU MD2 1 57 VAL MG2 4.000 . 6.000 3.811 3.707 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
1725 1 56 GLU HA 1 56 GLU HG3 4.000 . 5.000 2.494 2.429 2.582 . 0 0 "[ . 1 . 2 . 3 .]" 1
1726 1 56 GLU QB 1 57 VAL HA 4.000 . 5.000 4.486 4.436 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
1727 1 56 GLU HA 1 57 VAL HB 4.000 . 5.200 4.618 4.508 4.692 . 0 0 "[ . 1 . 2 . 3 .]" 1
1728 1 56 GLU QG 1 57 VAL HA 4.000 . 5.000 3.967 3.870 4.032 . 0 0 "[ . 1 . 2 . 3 .]" 1
1729 1 56 GLU HA 1 57 VAL HA 4.000 . 5.000 4.493 4.477 4.506 . 0 0 "[ . 1 . 2 . 3 .]" 1
1730 1 56 GLU HA 1 57 VAL MG2 4.000 . 5.500 3.449 3.387 3.611 . 0 0 "[ . 1 . 2 . 3 .]" 1
1731 1 57 VAL HA 1 57 VAL MG2 3.000 . 3.800 2.358 2.319 2.392 . 0 0 "[ . 1 . 2 . 3 .]" 1
1732 1 57 VAL MG1 1 59 VAL HA 4.000 . 5.500 3.635 3.485 3.773 . 0 0 "[ . 1 . 2 . 3 .]" 1
1733 1 57 VAL MG2 1 62 ALA MB 4.000 . 6.000 3.760 3.539 3.875 . 0 0 "[ . 1 . 2 . 3 .]" 1
1734 1 57 VAL HA 1 62 ALA MB 4.000 . 5.500 3.240 3.104 3.419 . 0 0 "[ . 1 . 2 . 3 .]" 1
1735 1 57 VAL MG1 1 62 ALA MB 2.500 . 3.700 1.977 1.929 2.081 . 0 0 "[ . 1 . 2 . 3 .]" 1
1736 1 57 VAL MG1 1 62 ALA HA 4.000 . 5.500 4.402 4.324 4.552 . 0 0 "[ . 1 . 2 . 3 .]" 1
1737 1 57 VAL MG1 1 65 VAL HB 2.500 . 3.200 2.229 2.136 2.378 . 0 0 "[ . 1 . 2 . 3 .]" 1
1738 1 57 VAL MG1 1 65 VAL MG1 4.000 . 6.000 2.398 2.207 2.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1739 1 57 VAL MG2 1 65 VAL MG1 3.000 . 4.300 2.749 2.579 2.954 . 0 0 "[ . 1 . 2 . 3 .]" 1
1740 1 57 VAL MG1 1 66 ALA HA 4.000 . 5.500 4.364 4.092 4.755 . 0 0 "[ . 1 . 2 . 3 .]" 1
1741 1 58 ASP HA 1 59 VAL MG2 4.000 . 5.500 3.694 3.613 3.767 . 0 0 "[ . 1 . 2 . 3 .]" 1
1742 1 58 ASP HA 1 60 ASP HB3 4.000 . 6.300 6.511 6.457 6.587 0.287 31 0 "[ . 1 . 2 . 3 .]" 1
1743 1 58 ASP HB2 1 61 ASP HB3 4.000 . 5.000 4.862 4.770 4.981 . 0 0 "[ . 1 . 2 . 3 .]" 1
1744 1 58 ASP HB2 1 61 ASP HB2 4.000 . 5.000 3.151 3.068 3.278 . 0 0 "[ . 1 . 2 . 3 .]" 1
1745 1 58 ASP HA 1 61 ASP HB2 4.000 . 5.000 5.087 5.017 5.146 0.146 24 0 "[ . 1 . 2 . 3 .]" 1
1746 1 58 ASP HB3 1 61 ASP HB2 2.500 . 2.900 2.257 2.218 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
1747 1 58 ASP HB2 1 62 ALA MB 4.000 . 5.500 3.629 3.458 3.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
1748 1 58 ASP HA 1 62 ALA MB 4.000 . 5.500 4.077 3.947 4.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
1749 1 59 VAL MG2 1 60 ASP HB2 4.000 . 5.500 3.527 3.434 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
1750 1 59 VAL HB 1 60 ASP HA 4.000 . 5.000 4.597 4.491 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
1751 1 59 VAL MG2 1 60 ASP HA 4.000 . 5.500 3.448 3.350 3.617 . 0 0 "[ . 1 . 2 . 3 .]" 1
1752 1 59 VAL HA 1 63 GLN QB 4.000 . 5.000 4.097 3.953 4.263 . 0 0 "[ . 1 . 2 . 3 .]" 1
1753 1 59 VAL MG1 1 63 GLN HA 4.000 . 5.500 4.376 4.276 4.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
1754 1 59 VAL HB 1 63 GLN HA 4.000 . 5.000 3.989 3.778 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
1755 1 59 VAL HA 1 63 GLN QG 4.000 . 5.500 5.581 5.493 5.740 0.240 24 0 "[ . 1 . 2 . 3 .]" 1
1756 1 59 VAL HA 1 65 VAL HB 4.000 . 5.000 5.056 4.858 5.175 0.175 6 0 "[ . 1 . 2 . 3 .]" 1
1757 1 59 VAL MG2 1 66 ALA MB 4.000 . 6.000 4.058 3.957 4.161 . 0 0 "[ . 1 . 2 . 3 .]" 1
1758 1 59 VAL MG1 1 66 ALA MB 4.000 . 6.000 2.129 2.029 2.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1759 1 59 VAL HA 1 66 ALA MB 4.000 . 5.500 2.382 2.284 2.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
1760 1 59 VAL HA 1 66 ALA HA 4.000 . 5.000 5.093 4.994 5.182 0.182 14 0 "[ . 1 . 2 . 3 .]" 1
1761 1 59 VAL MG1 1 71 VAL MG1 4.000 . 6.000 3.115 2.867 3.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
1762 1 59 VAL MG1 1 71 VAL HB 4.000 . 5.500 3.597 3.370 3.757 . 0 0 "[ . 1 . 2 . 3 .]" 1
1763 1 59 VAL MG2 1 74 THR MG 3.000 . 4.300 2.325 2.217 2.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
1764 1 60 ASP HA 1 63 GLN QB 4.000 . 5.000 3.076 2.974 3.189 . 0 0 "[ . 1 . 2 . 3 .]" 1
1765 1 60 ASP HA 1 63 GLN HA 4.000 . 5.000 4.644 4.542 4.760 . 0 0 "[ . 1 . 2 . 3 .]" 1
1766 1 61 ASP HA 1 61 ASP HB2 3.000 . 3.500 3.041 3.037 3.046 . 0 0 "[ . 1 . 2 . 3 .]" 1
1767 1 61 ASP HA 1 62 ALA HA 4.000 . 5.000 4.574 4.555 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1768 1 61 ASP HB3 1 62 ALA MB 4.000 . 5.500 4.422 4.345 4.509 . 0 0 "[ . 1 . 2 . 3 .]" 1
1769 1 61 ASP HB2 1 62 ALA MB 4.000 . 5.500 3.656 3.583 3.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
1770 1 61 ASP HA 1 63 GLN QG 4.000 . 5.200 4.886 4.676 5.394 0.194 11 0 "[ . 1 . 2 . 3 .]" 1
1771 1 62 ALA HA 1 63 GLN QG 4.000 . 5.000 4.210 4.011 5.039 0.039 15 0 "[ . 1 . 2 . 3 .]" 1
1772 1 62 ALA MB 1 65 VAL MG2 4.000 . 6.000 2.217 2.045 2.324 . 0 0 "[ . 1 . 2 . 3 .]" 1
1773 1 62 ALA MB 1 65 VAL MG1 4.000 . 6.000 3.932 3.620 4.121 . 0 0 "[ . 1 . 2 . 3 .]" 1
1774 1 62 ALA HA 1 65 VAL MG2 4.000 . 5.500 3.334 2.946 3.727 . 0 0 "[ . 1 . 2 . 3 .]" 1
1775 1 62 ALA MB 1 65 VAL HB 4.000 . 5.500 3.074 2.808 3.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
1776 1 63 GLN HA 1 63 GLN QB 2.500 . 2.900 2.199 2.193 2.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
1777 1 63 GLN HA 1 63 GLN QG 3.000 . 3.500 3.329 3.299 3.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
1778 1 63 GLN QB 1 64 ASP HA 4.000 . 5.000 4.510 4.447 4.610 . 0 0 "[ . 1 . 2 . 3 .]" 1
1779 1 63 GLN QG 1 64 ASP HA 4.000 . 5.300 3.207 3.163 3.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
1780 1 63 GLN HA 1 64 ASP HA 4.000 . 5.000 4.802 4.769 4.853 . 0 0 "[ . 1 . 2 . 3 .]" 1
1781 1 63 GLN HA 1 66 ALA MB 4.000 . 5.500 2.650 2.273 2.831 . 0 0 "[ . 1 . 2 . 3 .]" 1
1782 1 64 ASP HA 1 64 ASP HB3 3.000 . 3.700 2.406 2.392 2.429 . 0 0 "[ . 1 . 2 . 3 .]" 1
1783 1 64 ASP HA 1 64 ASP HB2 3.000 . 3.500 2.538 2.505 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
1784 1 64 ASP HB3 1 65 VAL HA 4.000 . 5.500 5.662 5.628 5.687 0.187 34 0 "[ . 1 . 2 . 3 .]" 1
1785 1 64 ASP HB2 1 65 VAL MG2 4.000 . 5.500 4.004 3.784 4.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
1786 1 64 ASP HA 1 67 SER QB 4.000 . 5.000 3.538 3.342 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1787 1 64 ASP HB2 1 68 GLU QB 4.000 . 5.100 5.040 4.867 5.169 0.069 2 0 "[ . 1 . 2 . 3 .]" 1
1788 1 65 VAL HA 1 65 VAL MG2 3.000 . 3.800 2.447 2.393 2.513 . 0 0 "[ . 1 . 2 . 3 .]" 1
1789 1 65 VAL MG1 1 66 ALA HA 4.000 . 5.500 3.728 3.564 3.869 . 0 0 "[ . 1 . 2 . 3 .]" 1
1790 1 65 VAL HA 1 66 ALA MB 4.000 . 6.000 5.039 5.013 5.056 . 0 0 "[ . 1 . 2 . 3 .]" 1
1791 1 65 VAL HA 1 68 GLU QG 4.000 . 5.000 5.013 4.854 5.129 0.129 10 0 "[ . 1 . 2 . 3 .]" 1
1792 1 65 VAL MG1 1 68 GLU QB 4.000 . 5.500 3.894 3.701 4.166 . 0 0 "[ . 1 . 2 . 3 .]" 1
1793 1 65 VAL HA 1 68 GLU QB 4.000 . 5.000 3.176 2.969 3.424 . 0 0 "[ . 1 . 2 . 3 .]" 1
1794 1 65 VAL MG1 1 69 ALA MB 4.000 . 6.000 4.031 3.522 4.559 . 0 0 "[ . 1 . 2 . 3 .]" 1
1795 1 66 ALA HA 1 69 ALA MB 3.000 . 3.800 2.854 2.539 3.136 . 0 0 "[ . 1 . 2 . 3 .]" 1
1796 1 66 ALA MB 1 69 ALA MB 4.000 . 6.000 3.963 3.742 4.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
1797 1 66 ALA MB 1 71 VAL MG2 4.000 . 6.000 2.176 2.045 2.607 . 0 0 "[ . 1 . 2 . 3 .]" 1
1798 1 68 GLU HA 1 68 GLU QB 2.500 . 2.900 2.398 2.375 2.415 . 0 0 "[ . 1 . 2 . 3 .]" 1
1799 1 68 GLU QB 1 69 ALA MB 4.000 . 5.500 3.654 3.549 3.779 . 0 0 "[ . 1 . 2 . 3 .]" 1
1800 1 68 GLU QB 1 69 ALA HA 4.000 . 5.000 4.201 4.136 4.266 . 0 0 "[ . 1 . 2 . 3 .]" 1
1801 1 69 ALA HA 1 70 GLU HB2 4.000 . 5.000 4.228 4.081 4.320 . 0 0 "[ . 1 . 2 . 3 .]" 1
1802 1 69 ALA MB 1 71 VAL HA 4.000 . 5.500 4.017 3.914 4.122 . 0 0 "[ . 1 . 2 . 3 .]" 1
1803 1 69 ALA HA 1 71 VAL MG2 4.000 . 5.500 4.615 4.530 4.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
1804 1 69 ALA MB 1 71 VAL MG2 2.500 . 3.700 2.289 2.161 2.396 . 0 0 "[ . 1 . 2 . 3 .]" 1
1805 1 69 ALA MB 1 71 VAL MG1 4.000 . 6.000 4.344 4.268 4.406 . 0 0 "[ . 1 . 2 . 3 .]" 1
1806 1 69 ALA MB 1 71 VAL HB 4.000 . 5.500 4.662 4.542 4.781 . 0 0 "[ . 1 . 2 . 3 .]" 1
1807 1 70 GLU HA 1 70 GLU QG 3.000 . 3.500 2.606 2.283 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
1808 1 70 GLU QG 1 72 LYS QG 4.000 . 5.000 5.302 5.154 5.416 0.416 7 0 "[ . 1 . 2 . 3 .]" 1
1809 1 71 VAL HA 1 71 VAL MG2 2.500 . 3.200 2.389 2.350 2.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
1810 1 71 VAL HA 1 71 VAL MG1 3.000 . 3.800 2.254 2.230 2.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
1811 1 71 VAL MG1 1 72 LYS QG 4.000 . 5.800 4.440 4.367 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1812 1 71 VAL HA 1 72 LYS QG 4.000 . 5.000 3.594 3.493 3.728 . 0 0 "[ . 1 . 2 . 3 .]" 1
1813 1 71 VAL MG1 1 73 ALA MB 4.000 . 6.000 3.907 3.826 3.953 . 0 0 "[ . 1 . 2 . 3 .]" 1
1814 1 71 VAL MG1 1 74 THR HA 4.000 . 5.500 3.707 3.634 3.771 . 0 0 "[ . 1 . 2 . 3 .]" 1
1815 1 71 VAL MG1 1 74 THR MG 2.500 . 4.200 2.597 2.405 2.740 . 0 0 "[ . 1 . 2 . 3 .]" 1
1816 1 71 VAL MG1 1 76 THR HB 4.000 . 5.500 2.792 2.668 2.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
1817 1 71 VAL MG2 1 76 THR MG 3.000 . 4.700 3.668 3.485 4.010 . 0 0 "[ . 1 . 2 . 3 .]" 1
1818 1 71 VAL MG1 1 76 THR MG 3.000 . 4.300 2.948 2.816 3.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1819 1 71 VAL HA 1 76 THR MG 4.000 . 5.500 4.293 4.095 4.527 . 0 0 "[ . 1 . 2 . 3 .]" 1
1820 1 71 VAL MG2 1 76 THR HB 4.000 . 5.500 3.745 3.548 3.933 . 0 0 "[ . 1 . 2 . 3 .]" 1
1821 1 71 VAL MG2 1 78 GLN QG 4.000 . 5.500 4.451 4.276 4.642 . 0 0 "[ . 1 . 2 . 3 .]" 1
1822 1 72 LYS HA 1 72 LYS QD 4.000 . 5.000 2.458 2.169 3.782 . 0 0 "[ . 1 . 2 . 3 .]" 1
1823 1 72 LYS QE 1 72 LYS QG 2.500 . 2.900 2.191 2.091 2.369 . 0 0 "[ . 1 . 2 . 3 .]" 1
1824 1 72 LYS HA 1 72 LYS QE 4.000 . 5.000 4.203 4.037 4.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
1825 1 72 LYS HB3 1 72 LYS QD 3.000 . 3.500 2.255 2.231 2.313 . 0 0 "[ . 1 . 2 . 3 .]" 1
1826 1 72 LYS HB2 1 73 ALA MB 4.000 . 5.500 3.522 3.407 3.636 . 0 0 "[ . 1 . 2 . 3 .]" 1
1827 1 72 LYS HA 1 73 ALA MB 4.000 . 5.500 4.438 4.378 4.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
1828 1 72 LYS HB2 1 73 ALA HA 4.000 . 5.000 5.053 5.005 5.112 0.112 6 0 "[ . 1 . 2 . 3 .]" 1
1829 1 72 LYS HB3 1 73 ALA MB 4.000 . 5.500 3.882 3.760 4.011 . 0 0 "[ . 1 . 2 . 3 .]" 1
1830 1 73 ALA MB 1 90 SER HB2 4.000 . 5.500 3.471 3.280 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1831 1 73 ALA MB 1 90 SER HB3 4.000 . 5.500 3.964 3.688 4.201 . 0 0 "[ . 1 . 2 . 3 .]" 1
1832 1 74 THR HA 1 74 THR MG 3.000 . 3.800 2.495 2.429 2.554 . 0 0 "[ . 1 . 2 . 3 .]" 1
1833 1 74 THR MG 1 75 PRO HB3 4.000 . 5.500 5.265 5.201 5.333 . 0 0 "[ . 1 . 2 . 3 .]" 1
1834 1 74 THR HA 1 75 PRO HB3 4.000 . 5.000 4.547 4.505 4.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
1835 1 74 THR HA 1 75 PRO HB2 4.000 . 5.000 4.646 4.621 4.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
1836 1 74 THR HA 1 75 PRO HD3 4.000 . 5.000 4.660 4.641 4.679 . 0 0 "[ . 1 . 2 . 3 .]" 1
1837 1 74 THR MG 1 75 PRO HA 4.000 . 5.500 3.533 3.473 3.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
1838 1 74 THR HB 1 75 PRO HA 4.000 . 5.000 2.187 2.143 2.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
1839 1 74 THR HA 1 75 PRO HA 3.000 . 3.500 2.376 2.326 2.469 . 0 0 "[ . 1 . 2 . 3 .]" 1
1840 1 74 THR HA 1 75 PRO HD2 4.000 . 5.000 4.493 4.461 4.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
1841 1 74 THR HA 1 76 THR MG 4.000 . 5.700 4.723 4.638 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
1842 1 74 THR HA 1 76 THR HB 4.000 . 5.000 3.842 3.768 3.919 . 0 0 "[ . 1 . 2 . 3 .]" 1
1843 1 75 PRO HA 1 75 PRO QD 4.000 . 5.000 3.512 3.485 3.534 . 0 0 "[ . 1 . 2 . 3 .]" 1
1844 1 75 PRO QG 1 77 PHE HZ 4.000 . 5.000 3.836 3.575 4.022 . 0 0 "[ . 1 . 2 . 3 .]" 1
1845 1 75 PRO QG 1 92 ALA HA 4.000 . 5.000 2.452 2.305 2.650 . 0 0 "[ . 1 . 2 . 3 .]" 1
1846 1 75 PRO HD2 1 92 ALA MB 4.000 . 5.500 3.430 3.246 3.620 . 0 0 "[ . 1 . 2 . 3 .]" 1
1847 1 76 THR MG 1 77 PHE HA 4.000 . 5.500 3.852 3.751 3.934 . 0 0 "[ . 1 . 2 . 3 .]" 1
1848 1 76 THR MG 1 77 PHE HB2 4.000 . 5.700 4.437 4.350 4.521 . 0 0 "[ . 1 . 2 . 3 .]" 1
1849 1 76 THR MG 1 78 GLN HB3 4.000 . 5.800 5.090 4.973 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
1850 1 76 THR MG 1 78 GLN HB2 4.000 . 5.500 4.634 4.512 4.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
1851 1 76 THR MG 1 78 GLN HA 4.000 . 5.500 4.283 4.224 4.368 . 0 0 "[ . 1 . 2 . 3 .]" 1
1852 1 76 THR MG 1 78 GLN QG 3.000 . 3.800 2.441 2.351 2.577 . 0 0 "[ . 1 . 2 . 3 .]" 1
1853 1 76 THR MG 1 88 GLU HB2 3.000 . 4.300 4.442 3.402 4.573 0.273 18 0 "[ . 1 . 2 . 3 .]" 1
1854 1 76 THR MG 1 90 SER HB2 4.000 . 5.500 4.131 3.909 4.273 . 0 0 "[ . 1 . 2 . 3 .]" 1
1855 1 76 THR MG 1 90 SER HA 4.000 . 5.500 3.178 2.964 3.339 . 0 0 "[ . 1 . 2 . 3 .]" 1
1856 1 76 THR HA 1 90 SER HA 3.000 . 3.500 2.322 2.266 2.363 . 0 0 "[ . 1 . 2 . 3 .]" 1
1857 1 76 THR HA 1 90 SER HB2 4.000 . 5.000 3.865 3.695 3.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
1858 1 76 THR HA 1 90 SER HB3 4.000 . 5.000 3.556 3.332 3.737 . 0 0 "[ . 1 . 2 . 3 .]" 1
1859 1 76 THR MG 1 90 SER HB3 4.000 . 5.500 2.980 2.815 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
1860 1 76 THR HB 1 90 SER HA 4.000 . 5.000 5.070 5.000 5.160 0.160 21 0 "[ . 1 . 2 . 3 .]" 1
1861 1 77 PHE HA 1 77 PHE QD 4.000 . 5.000 2.829 2.737 2.899 . 0 0 "[ . 1 . 2 . 3 .]" 1
1862 1 77 PHE HB3 1 79 PHE HZ 4.000 . 5.000 3.744 3.579 3.985 . 0 0 "[ . 1 . 2 . 3 .]" 1
1863 1 77 PHE QD 1 89 PHE QD 4.000 . 5.000 3.522 3.381 3.654 . 0 0 "[ . 1 . 2 . 3 .]" 1
1864 1 77 PHE HB2 1 89 PHE QD 4.000 . 5.000 3.602 3.491 3.729 . 0 0 "[ . 1 . 2 . 3 .]" 1
1865 1 77 PHE QD 1 89 PHE QE 4.000 . 5.000 2.583 2.505 2.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
1866 1 77 PHE QE 1 92 ALA MB 4.000 . 5.000 4.938 4.730 5.090 0.090 7 0 "[ . 1 . 2 . 3 .]" 1
1867 1 77 PHE QE 1 92 ALA HA 4.000 . 5.000 3.537 3.287 3.710 . 0 0 "[ . 1 . 2 . 3 .]" 1
1868 1 77 PHE HB3 1 97 LEU MD2 4.000 . 5.500 2.526 2.315 2.687 . 0 0 "[ . 1 . 2 . 3 .]" 1
1869 1 77 PHE QE 1 97 LEU MD1 4.000 . 5.500 2.694 2.498 2.968 . 0 0 "[ . 1 . 2 . 3 .]" 1
1870 1 77 PHE QD 1 97 LEU MD2 4.000 . 5.500 2.430 2.215 2.564 . 0 0 "[ . 1 . 2 . 3 .]" 1
1871 1 77 PHE HZ 1 97 LEU MD1 4.000 . 5.500 3.247 2.952 3.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
1872 1 77 PHE HB3 1 97 LEU MD1 4.000 . 5.500 4.535 4.339 4.716 . 0 0 "[ . 1 . 2 . 3 .]" 1
1873 1 78 GLN HA 1 79 PHE HB2 4.000 . 5.000 4.472 4.415 4.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1874 1 78 GLN HA 1 79 PHE QD 4.000 . 5.000 2.980 2.846 3.066 . 0 0 "[ . 1 . 2 . 3 .]" 1
1875 1 78 GLN HB3 1 80 PHE QD 4.000 . 5.000 3.776 3.653 4.018 . 0 0 "[ . 1 . 2 . 3 .]" 1
1876 1 78 GLN HB3 1 80 PHE QE 4.000 . 5.000 2.418 2.335 2.572 . 0 0 "[ . 1 . 2 . 3 .]" 1
1877 1 78 GLN HB3 1 85 LYS QG 4.000 . 5.000 3.266 3.008 3.622 . 0 0 "[ . 1 . 2 . 3 .]" 1
1878 1 78 GLN QG 1 85 LYS QG 4.000 . 5.300 4.335 4.024 4.678 . 0 0 "[ . 1 . 2 . 3 .]" 1
1879 1 78 GLN HA 1 87 GLY HA3 4.000 . 5.300 5.330 4.975 5.571 0.271 31 0 "[ . 1 . 2 . 3 .]" 1
1880 1 78 GLN HB3 1 88 GLU HA 4.000 . 5.000 4.502 4.343 4.667 . 0 0 "[ . 1 . 2 . 3 .]" 1
1881 1 78 GLN HA 1 88 GLU HA 3.000 . 3.500 2.298 2.257 2.370 . 0 0 "[ . 1 . 2 . 3 .]" 1
1882 1 78 GLN HA 1 88 GLU HB2 4.000 . 5.000 2.935 2.693 3.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1883 1 79 PHE HA 1 79 PHE QD 4.000 . 5.000 2.976 2.887 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
1884 1 79 PHE HA 1 80 PHE QD 4.000 . 5.000 3.536 3.411 3.714 . 0 0 "[ . 1 . 2 . 3 .]" 1
1885 1 79 PHE HB2 1 85 LYS QG 4.000 . 5.000 4.333 4.107 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
1886 1 79 PHE HB3 1 85 LYS HA 4.000 . 5.300 5.452 5.391 5.518 0.218 14 0 "[ . 1 . 2 . 3 .]" 1
1887 1 79 PHE HD1 1 86 VAL MG2 4.000 . 5.500 4.767 4.487 5.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
1888 1 79 PHE HA 1 86 VAL MG2 4.000 . 5.500 4.329 3.931 4.700 . 0 0 "[ . 1 . 2 . 3 .]" 1
1889 1 79 PHE HB3 1 86 VAL MG2 3.000 . 3.800 2.636 2.250 2.969 . 0 0 "[ . 1 . 2 . 3 .]" 1
1890 1 79 PHE HB2 1 86 VAL MG2 4.000 . 5.500 2.639 2.304 2.958 . 0 0 "[ . 1 . 2 . 3 .]" 1
1891 1 79 PHE HB2 1 87 GLY HA3 4.000 . 5.000 2.797 2.327 3.180 . 0 0 "[ . 1 . 2 . 3 .]" 1
1892 1 79 PHE QD 1 87 GLY HA2 4.000 . 5.000 4.430 4.093 4.684 . 0 0 "[ . 1 . 2 . 3 .]" 1
1893 1 79 PHE QE 1 88 GLU HA 4.000 . 5.000 3.694 3.402 4.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
1894 1 79 PHE QD 1 88 GLU HA 4.000 . 5.000 2.856 2.594 3.146 . 0 0 "[ . 1 . 2 . 3 .]" 1
1895 1 79 PHE HZ 1 89 PHE QE 4.000 . 5.000 2.345 2.292 2.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
1896 1 79 PHE QE 1 97 LEU MD2 4.000 . 5.500 3.236 3.108 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
1897 1 79 PHE HZ 1 97 LEU MD2 4.000 . 5.500 2.372 2.236 2.605 . 0 0 "[ . 1 . 2 . 3 .]" 1
1898 1 79 PHE QD 1 100 THR MG 4.000 . 5.500 3.014 2.880 3.095 . 0 0 "[ . 1 . 2 . 3 .]" 1
1899 1 79 PHE QE 1 100 THR HB 4.000 . 5.000 3.031 2.858 3.155 . 0 0 "[ . 1 . 2 . 3 .]" 1
1900 1 79 PHE HB2 1 100 THR MG 4.000 . 5.500 3.897 3.740 4.035 . 0 0 "[ . 1 . 2 . 3 .]" 1
1901 1 79 PHE HZ 1 100 THR MG 4.000 . 5.500 3.149 2.981 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
1902 1 79 PHE HZ 1 100 THR HB 4.000 . 5.000 2.550 2.338 2.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
1903 1 79 PHE QE 1 101 ILE QG 4.000 . 5.500 2.301 2.152 2.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
1904 1 79 PHE HZ 1 101 ILE MD 4.000 . 5.500 4.512 4.236 4.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
1905 1 79 PHE QE 1 101 ILE HA 4.000 . 5.000 3.490 3.301 3.683 . 0 0 "[ . 1 . 2 . 3 .]" 1
1906 1 79 PHE HB2 1 104 LEU MD1 4.000 . 5.500 2.942 2.672 3.083 . 0 0 "[ . 1 . 2 . 3 .]" 1
1907 1 79 PHE QD 1 104 LEU MD1 4.000 . 5.500 2.785 2.633 2.897 . 0 0 "[ . 1 . 2 . 3 .]" 1
1908 1 79 PHE HB3 1 104 LEU HB3 4.000 . 5.000 4.927 4.682 5.088 0.088 19 0 "[ . 1 . 2 . 3 .]" 1
1909 1 79 PHE QD 1 104 LEU HB2 4.000 . 5.000 4.166 4.045 4.281 . 0 0 "[ . 1 . 2 . 3 .]" 1
1910 1 79 PHE QD 1 104 LEU HG 4.000 . 5.000 5.071 4.950 5.145 0.145 26 0 "[ . 1 . 2 . 3 .]" 1
1911 1 79 PHE HA 1 104 LEU MD1 4.000 . 5.500 4.457 4.291 4.581 . 0 0 "[ . 1 . 2 . 3 .]" 1
1912 1 79 PHE HE2 1 104 LEU MD1 4.000 . 5.500 4.102 3.848 4.290 . 0 0 "[ . 1 . 2 . 3 .]" 1
1913 1 79 PHE HB3 1 104 LEU MD1 4.000 . 5.500 2.472 2.282 2.616 . 0 0 "[ . 1 . 2 . 3 .]" 1
1914 1 80 PHE HA 1 80 PHE QD 4.000 . 5.000 2.895 2.824 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
1915 1 80 PHE HA 1 80 PHE QE 4.000 . 5.000 4.538 4.489 4.595 . 0 0 "[ . 1 . 2 . 3 .]" 1
1916 1 80 PHE QD 1 81 LYS QB 4.000 . 6.300 5.642 5.557 5.723 . 0 0 "[ . 1 . 2 . 3 .]" 1
1917 1 80 PHE HA 1 81 LYS HA 4.000 . 5.000 4.505 4.475 4.536 . 0 0 "[ . 1 . 2 . 3 .]" 1
1918 1 80 PHE HB3 1 83 GLY HA2 4.000 . 5.000 3.580 3.297 3.817 . 0 0 "[ . 1 . 2 . 3 .]" 1
1919 1 80 PHE QE 1 84 GLN HA 4.000 . 5.000 4.765 4.414 4.973 . 0 0 "[ . 1 . 2 . 3 .]" 1
1920 1 80 PHE HA 1 84 GLN HA 4.000 . 5.000 4.996 4.909 5.072 0.072 21 0 "[ . 1 . 2 . 3 .]" 1
1921 1 80 PHE HB2 1 85 LYS HA 4.000 . 5.000 4.879 4.768 4.963 . 0 0 "[ . 1 . 2 . 3 .]" 1
1922 1 80 PHE QD 1 85 LYS HA 4.000 . 5.000 3.095 2.906 3.246 . 0 0 "[ . 1 . 2 . 3 .]" 1
1923 1 80 PHE QD 1 85 LYS QD 4.000 . 5.200 5.082 4.781 5.427 0.227 25 0 "[ . 1 . 2 . 3 .]" 1
1924 1 80 PHE QD 1 85 LYS HB2 4.000 . 5.000 3.401 3.250 3.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
1925 1 80 PHE HB3 1 85 LYS HA 4.000 . 5.000 4.235 4.129 4.312 . 0 0 "[ . 1 . 2 . 3 .]" 1
1926 1 80 PHE QE 1 85 LYS HB2 4.000 . 5.000 2.472 2.337 2.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
1927 1 80 PHE HA 1 85 LYS QG 4.000 . 5.000 4.021 3.879 4.149 . 0 0 "[ . 1 . 2 . 3 .]" 1
1928 1 80 PHE HA 1 85 LYS HA 3.000 . 3.500 2.287 2.231 2.343 . 0 0 "[ . 1 . 2 . 3 .]" 1
1929 1 80 PHE QE 1 85 LYS QG 4.000 . 5.000 3.657 3.475 3.888 . 0 0 "[ . 1 . 2 . 3 .]" 1
1930 1 80 PHE HA 1 86 VAL MG2 4.000 . 5.500 3.129 2.826 3.356 . 0 0 "[ . 1 . 2 . 3 .]" 1
1931 1 80 PHE HA 1 86 VAL MG1 4.000 . 5.500 3.949 3.654 4.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
1932 1 81 LYS HA 1 81 LYS QD 4.000 . 5.000 3.727 2.127 4.148 . 0 0 "[ . 1 . 2 . 3 .]" 1
1933 1 81 LYS QB 1 81 LYS QD 2.500 . 2.900 2.174 2.118 2.267 . 0 0 "[ . 1 . 2 . 3 .]" 1
1934 1 81 LYS QB 1 81 LYS QE 4.000 . 5.000 3.188 2.149 3.808 . 0 0 "[ . 1 . 2 . 3 .]" 1
1935 1 81 LYS HA 1 81 LYS QE 4.000 . 5.000 4.311 3.982 4.658 . 0 0 "[ . 1 . 2 . 3 .]" 1
1936 1 81 LYS QE 1 81 LYS QG 3.000 . 3.500 2.202 2.111 2.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
1937 1 81 LYS HA 1 81 LYS QG 3.000 . 3.500 2.377 2.275 2.861 . 0 0 "[ . 1 . 2 . 3 .]" 1
1938 1 81 LYS QB 1 82 LYS QG 4.000 . 5.000 3.767 3.531 4.094 . 0 0 "[ . 1 . 2 . 3 .]" 1
1939 1 81 LYS HA 1 82 LYS HA 4.000 . 5.000 4.480 4.450 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
1940 1 81 LYS QB 1 84 GLN HB2 4.000 . 5.000 3.606 3.153 4.020 . 0 0 "[ . 1 . 2 . 3 .]" 1
1941 1 81 LYS QE 1 86 VAL MG2 4.000 . 5.500 4.345 2.389 5.367 . 0 0 "[ . 1 . 2 . 3 .]" 1
1942 1 81 LYS HA 1 86 VAL MG2 4.000 . 5.500 4.613 4.230 4.843 . 0 0 "[ . 1 . 2 . 3 .]" 1
1943 1 81 LYS QB 1 86 VAL MG1 3.000 . 3.800 2.645 2.230 3.000 . 0 0 "[ . 1 . 2 . 3 .]" 1
1944 1 81 LYS QB 1 86 VAL HB 4.000 . 5.000 4.575 4.173 4.841 . 0 0 "[ . 1 . 2 . 3 .]" 1
1945 1 81 LYS QB 1 86 VAL MG2 3.000 . 3.800 2.572 2.271 2.772 . 0 0 "[ . 1 . 2 . 3 .]" 1
1946 1 81 LYS QG 1 86 VAL MG2 3.000 . 5.000 4.218 3.801 4.442 . 0 0 "[ . 1 . 2 . 3 .]" 1
1947 1 81 LYS QG 1 86 VAL MG1 4.000 . 5.500 4.288 3.383 4.743 . 0 0 "[ . 1 . 2 . 3 .]" 1
1948 1 81 LYS QD 1 86 VAL MG1 4.000 . 5.500 3.611 3.058 4.836 . 0 0 "[ . 1 . 2 . 3 .]" 1
1949 1 81 LYS QD 1 86 VAL MG2 4.000 . 5.500 3.560 3.158 4.276 . 0 0 "[ . 1 . 2 . 3 .]" 1
1950 1 81 LYS QG 1 104 LEU HB3 4.000 . 5.000 5.029 4.845 5.119 0.119 19 0 "[ . 1 . 2 . 3 .]" 1
1951 1 81 LYS QE 1 105 VAL HA 4.000 . 5.000 4.910 4.472 5.077 0.077 10 0 "[ . 1 . 2 . 3 .]" 1
1952 1 82 LYS QE 1 82 LYS QG 2.500 . 2.900 2.190 2.105 2.353 . 0 0 "[ . 1 . 2 . 3 .]" 1
1953 1 82 LYS HB2 1 82 LYS QE 4.000 . 5.000 4.000 3.867 4.292 . 0 0 "[ . 1 . 2 . 3 .]" 1
1954 1 82 LYS HA 1 82 LYS QG 3.000 . 3.500 2.337 2.289 2.447 . 0 0 "[ . 1 . 2 . 3 .]" 1
1955 1 82 LYS HA 1 82 LYS QD 3.000 . 4.500 3.844 3.752 4.075 . 0 0 "[ . 1 . 2 . 3 .]" 1
1956 1 82 LYS HB3 1 82 LYS QD 3.000 . 3.500 2.338 2.267 2.584 . 0 0 "[ . 1 . 2 . 3 .]" 1
1957 1 82 LYS HA 1 82 LYS HB2 3.000 . 3.500 3.045 3.031 3.054 . 0 0 "[ . 1 . 2 . 3 .]" 1
1958 1 82 LYS HA 1 82 LYS HB3 3.000 . 3.500 2.490 2.458 2.517 . 0 0 "[ . 1 . 2 . 3 .]" 1
1959 1 82 LYS HB3 1 82 LYS QE 4.000 . 5.000 4.031 3.962 4.296 . 0 0 "[ . 1 . 2 . 3 .]" 1
1960 1 82 LYS HA 1 83 GLY HA3 4.000 . 5.000 4.412 4.375 4.437 . 0 0 "[ . 1 . 2 . 3 .]" 1
1961 1 82 LYS HB2 1 84 GLN QG 4.000 . 5.000 3.270 2.706 3.795 . 0 0 "[ . 1 . 2 . 3 .]" 1
1962 1 84 GLN HA 1 84 GLN HB2 3.000 . 3.500 3.028 3.020 3.037 . 0 0 "[ . 1 . 2 . 3 .]" 1
1963 1 84 GLN HA 1 84 GLN QG 3.000 . 3.500 2.657 2.286 3.023 . 0 0 "[ . 1 . 2 . 3 .]" 1
1964 1 84 GLN HA 1 85 LYS HB3 4.000 . 5.000 4.753 4.642 4.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1965 1 84 GLN HB3 1 85 LYS HB2 4.000 . 6.000 5.659 5.510 5.794 . 0 0 "[ . 1 . 2 . 3 .]" 1
1966 1 84 GLN HB2 1 86 VAL MG1 4.000 . 5.700 3.250 2.844 3.520 . 0 0 "[ . 1 . 2 . 3 .]" 1
1967 1 84 GLN HA 1 86 VAL MG1 4.000 . 5.500 4.838 4.563 5.060 . 0 0 "[ . 1 . 2 . 3 .]" 1
1968 1 85 LYS QE 1 85 LYS QG 3.000 . 3.500 2.234 2.115 2.739 . 0 0 "[ . 1 . 2 . 3 .]" 1
1969 1 85 LYS HA 1 85 LYS QD 3.000 . 4.500 4.040 3.956 4.200 . 0 0 "[ . 1 . 2 . 3 .]" 1
1970 1 85 LYS HB2 1 85 LYS QD 3.000 . 3.500 2.527 2.320 3.005 . 0 0 "[ . 1 . 2 . 3 .]" 1
1971 1 85 LYS HB2 1 85 LYS QE 4.000 . 5.000 3.377 2.180 4.004 . 0 0 "[ . 1 . 2 . 3 .]" 1
1972 1 85 LYS HB3 1 85 LYS QE 4.000 . 5.000 3.368 2.202 4.171 . 0 0 "[ . 1 . 2 . 3 .]" 1
1973 1 85 LYS QG 1 86 VAL HA 4.000 . 5.000 3.860 3.784 3.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
1974 1 85 LYS HA 1 86 VAL MG2 4.000 . 5.500 3.529 3.409 3.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
1975 1 85 LYS HA 1 86 VAL HA 4.000 . 5.000 4.481 4.460 4.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
1976 1 85 LYS HA 1 86 VAL MG1 4.000 . 5.500 3.826 3.714 3.921 . 0 0 "[ . 1 . 2 . 3 .]" 1
1977 1 85 LYS QG 1 87 GLY HA2 4.000 . 5.000 4.251 3.942 4.462 . 0 0 "[ . 1 . 2 . 3 .]" 1
1978 1 85 LYS QE 1 88 GLU HB2 4.000 . 5.000 3.197 2.055 5.070 0.070 31 0 "[ . 1 . 2 . 3 .]" 1
1979 1 85 LYS QD 1 88 GLU HB3 4.000 . 5.000 4.111 2.833 4.960 . 0 0 "[ . 1 . 2 . 3 .]" 1
1980 1 85 LYS QG 1 88 GLU HB3 4.000 . 5.000 4.486 3.583 4.759 . 0 0 "[ . 1 . 2 . 3 .]" 1
1981 1 86 VAL HA 1 86 VAL HB 2.500 . 2.900 2.509 2.482 2.540 . 0 0 "[ . 1 . 2 . 3 .]" 1
1982 1 86 VAL HA 1 86 VAL MG2 3.000 . 3.800 3.192 3.178 3.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
1983 1 86 VAL HA 1 86 VAL MG1 2.500 . 3.200 2.256 2.229 2.283 . 0 0 "[ . 1 . 2 . 3 .]" 1
1984 1 86 VAL HA 1 87 GLY HA3 4.000 . 5.000 4.820 4.715 4.866 . 0 0 "[ . 1 . 2 . 3 .]" 1
1985 1 86 VAL HA 1 104 LEU MD1 4.000 . 5.700 4.932 4.651 5.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
1986 1 86 VAL MG2 1 104 LEU MD1 2.500 . 3.700 1.966 1.903 2.074 . 0 0 "[ . 1 . 2 . 3 .]" 1
1987 1 86 VAL MG2 1 104 LEU MD2 2.500 . 4.100 2.645 2.160 3.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
1988 1 86 VAL MG2 1 104 LEU HB3 4.000 . 5.500 3.536 3.390 3.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
1989 1 86 VAL HB 1 104 LEU MD2 3.000 . 3.800 2.906 2.409 3.243 . 0 0 "[ . 1 . 2 . 3 .]" 1
1990 1 86 VAL MG1 1 104 LEU MD1 4.000 . 6.000 4.012 3.767 4.247 . 0 0 "[ . 1 . 2 . 3 .]" 1
1991 1 87 GLY HA3 1 104 LEU MD1 4.000 . 5.500 3.259 2.963 3.516 . 0 0 "[ . 1 . 2 . 3 .]" 1
1992 1 87 GLY HA2 1 104 LEU MD1 4.000 . 5.500 4.570 4.272 4.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
1993 1 88 GLU HA 1 88 GLU QG 3.000 . 3.500 2.791 2.472 3.358 . 0 0 "[ . 1 . 2 . 3 .]" 1
1994 1 88 GLU HA 1 88 GLU HB3 3.000 . 3.500 2.996 2.462 3.031 . 0 0 "[ . 1 . 2 . 3 .]" 1
1995 1 88 GLU HB2 1 89 PHE HA 4.000 . 6.000 5.526 4.215 5.631 . 0 0 "[ . 1 . 2 . 3 .]" 1
1996 1 88 GLU QG 1 89 PHE HA 4.000 . 6.000 3.422 3.054 3.955 . 0 0 "[ . 1 . 2 . 3 .]" 1
1997 1 89 PHE HA 1 89 PHE QD 3.000 . 3.500 3.647 3.615 3.695 0.195 31 0 "[ . 1 . 2 . 3 .]" 1
1998 1 89 PHE HB2 1 90 SER HA 4.000 . 5.000 4.852 4.745 4.951 . 0 0 "[ . 1 . 2 . 3 .]" 1
1999 1 89 PHE HZ 1 93 ASN HB3 4.000 . 5.000 4.675 4.519 4.975 . 0 0 "[ . 1 . 2 . 3 .]" 1
2000 1 89 PHE QD 1 96 LYS QG 4.000 . 5.000 3.643 3.501 4.208 . 0 0 "[ . 1 . 2 . 3 .]" 1
2001 1 89 PHE QD 1 96 LYS QD 4.000 . 5.000 2.866 2.656 4.507 . 0 0 "[ . 1 . 2 . 3 .]" 1
2002 1 89 PHE QE 1 96 LYS QD 4.000 . 5.000 2.856 2.637 4.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
2003 1 89 PHE HZ 1 96 LYS QD 4.000 . 5.000 3.810 3.641 5.128 0.128 29 0 "[ . 1 . 2 . 3 .]" 1
2004 1 89 PHE QE 1 96 LYS QG 4.000 . 5.000 3.177 3.058 3.670 . 0 0 "[ . 1 . 2 . 3 .]" 1
2005 1 89 PHE QE 1 96 LYS QE 4.000 . 5.000 4.041 2.518 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
2006 1 89 PHE HB2 1 96 LYS QE 4.000 . 5.000 3.090 2.336 5.032 0.032 25 0 "[ . 1 . 2 . 3 .]" 1
2007 1 89 PHE QD 1 96 LYS QE 4.000 . 5.000 3.332 2.811 4.770 . 0 0 "[ . 1 . 2 . 3 .]" 1
2008 1 89 PHE HB2 1 96 LYS QD 4.000 . 5.000 3.611 2.994 4.825 . 0 0 "[ . 1 . 2 . 3 .]" 1
2009 1 89 PHE HZ 1 97 LEU HG 4.000 . 5.000 2.303 2.246 2.341 . 0 0 "[ . 1 . 2 . 3 .]" 1
2010 1 89 PHE QE 1 97 LEU HA 4.000 . 5.000 2.964 2.798 3.102 . 0 0 "[ . 1 . 2 . 3 .]" 1
2011 1 89 PHE QD 1 97 LEU HA 4.000 . 5.300 5.199 5.034 5.346 0.046 31 0 "[ . 1 . 2 . 3 .]" 1
2012 1 89 PHE HZ 1 97 LEU HB3 4.000 . 5.000 4.783 4.652 4.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
2013 1 89 PHE QE 1 97 LEU MD2 4.000 . 5.500 2.530 2.292 2.978 . 0 0 "[ . 1 . 2 . 3 .]" 1
2014 1 89 PHE HZ 1 97 LEU MD2 4.000 . 5.500 2.298 2.237 2.484 . 0 0 "[ . 1 . 2 . 3 .]" 1
2015 1 89 PHE HZ 1 97 LEU HA 4.000 . 5.000 3.252 3.049 3.402 . 0 0 "[ . 1 . 2 . 3 .]" 1
2016 1 89 PHE HZ 1 97 LEU HB2 4.000 . 5.000 4.592 4.469 4.659 . 0 0 "[ . 1 . 2 . 3 .]" 1
2017 1 89 PHE HZ 1 97 LEU MD1 4.000 . 5.500 3.789 3.720 3.849 . 0 0 "[ . 1 . 2 . 3 .]" 1
2018 1 89 PHE QD 1 100 THR MG 4.000 . 5.500 3.504 3.058 3.926 . 0 0 "[ . 1 . 2 . 3 .]" 1
2019 1 89 PHE QD 1 100 THR HB 4.000 . 5.000 4.694 4.319 4.925 . 0 0 "[ . 1 . 2 . 3 .]" 1
2020 1 89 PHE QE 1 100 THR HB 4.000 . 5.000 3.542 3.200 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
2021 1 89 PHE QE 1 100 THR MG 4.000 . 5.500 3.698 3.367 4.138 . 0 0 "[ . 1 . 2 . 3 .]" 1
2022 1 90 SER HA 1 90 SER HB2 3.000 . 3.500 2.459 2.452 2.465 . 0 0 "[ . 1 . 2 . 3 .]" 1
2023 1 90 SER HA 1 90 SER HB3 3.000 . 3.500 2.467 2.455 2.476 . 0 0 "[ . 1 . 2 . 3 .]" 1
2024 1 90 SER HB2 1 91 GLY HA2 3.000 . 3.900 4.102 4.065 4.139 0.239 31 0 "[ . 1 . 2 . 3 .]" 1
2025 1 92 ALA MB 1 94 LYS QD 4.000 . 5.500 4.372 4.153 4.719 . 0 0 "[ . 1 . 2 . 3 .]" 1
2026 1 93 ASN HA 1 94 LYS QD 4.000 . 5.000 3.387 3.036 3.649 . 0 0 "[ . 1 . 2 . 3 .]" 1
2027 1 93 ASN HB2 1 96 LYS HB2 4.000 . 5.000 3.753 3.660 3.837 . 0 0 "[ . 1 . 2 . 3 .]" 1
2028 1 93 ASN HB3 1 96 LYS HA 4.000 . 5.000 4.880 4.793 5.040 0.040 29 0 "[ . 1 . 2 . 3 .]" 1
2029 1 93 ASN HA 1 96 LYS QD 4.000 . 5.300 5.454 5.360 5.560 0.260 20 0 "[ . 1 . 2 . 3 .]" 1
2030 1 93 ASN HB2 1 96 LYS HB3 4.000 . 5.000 4.539 4.406 4.652 . 0 0 "[ . 1 . 2 . 3 .]" 1
2031 1 93 ASN HB3 1 96 LYS QD 4.000 . 5.000 2.799 2.562 2.947 . 0 0 "[ . 1 . 2 . 3 .]" 1
2032 1 93 ASN HB3 1 96 LYS HB3 4.000 . 5.000 2.808 2.671 2.917 . 0 0 "[ . 1 . 2 . 3 .]" 1
2033 1 93 ASN HB3 1 96 LYS HB2 4.000 . 5.000 2.404 2.311 2.505 . 0 0 "[ . 1 . 2 . 3 .]" 1
2034 1 94 LYS HB3 1 94 LYS QD 3.000 . 3.500 2.201 2.164 2.340 . 0 0 "[ . 1 . 2 . 3 .]" 1
2035 1 94 LYS HA 1 94 LYS QD 4.000 . 5.000 3.821 3.607 3.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
2036 1 94 LYS HB2 1 94 LYS QD 3.000 . 4.500 3.170 3.090 3.427 . 0 0 "[ . 1 . 2 . 3 .]" 1
2037 1 94 LYS HB2 1 94 LYS QE 4.000 . 5.000 4.072 3.060 4.473 . 0 0 "[ . 1 . 2 . 3 .]" 1
2038 1 94 LYS HB3 1 94 LYS QE 4.000 . 5.000 3.778 2.275 4.101 . 0 0 "[ . 1 . 2 . 3 .]" 1
2039 1 94 LYS HA 1 95 GLU QG 4.000 . 5.500 5.180 5.043 5.702 0.202 5 0 "[ . 1 . 2 . 3 .]" 1
2040 1 94 LYS QG 1 95 GLU HA 3.000 . 4.000 3.631 3.190 3.726 . 0 0 "[ . 1 . 2 . 3 .]" 1
2041 1 94 LYS QG 1 95 GLU QG 4.000 . 5.000 2.329 2.243 3.133 . 0 0 "[ . 1 . 2 . 3 .]" 1
2042 1 94 LYS HA 1 96 LYS HB2 4.000 . 5.500 5.554 5.474 5.614 0.114 23 0 "[ . 1 . 2 . 3 .]" 1
2043 1 94 LYS HB2 1 97 LEU MD1 4.000 . 5.000 3.366 2.896 3.606 . 0 0 "[ . 1 . 2 . 3 .]" 1
2044 1 94 LYS HA 1 97 LEU HB2 4.000 . 5.000 3.607 3.439 3.717 . 0 0 "[ . 1 . 2 . 3 .]" 1
2045 1 94 LYS HA 1 97 LEU HB3 4.000 . 5.000 5.040 4.920 5.102 0.102 22 0 "[ . 1 . 2 . 3 .]" 1
2046 1 94 LYS HB3 1 97 LEU MD1 4.000 . 5.500 3.720 3.476 3.896 . 0 0 "[ . 1 . 2 . 3 .]" 1
2047 1 94 LYS HA 1 97 LEU MD1 4.000 . 5.500 2.330 2.225 2.480 . 0 0 "[ . 1 . 2 . 3 .]" 1
2048 1 95 GLU HA 1 95 GLU HB3 3.000 . 3.500 2.478 2.460 2.503 . 0 0 "[ . 1 . 2 . 3 .]" 1
2049 1 95 GLU HA 1 95 GLU QG 3.000 . 3.500 2.777 2.319 2.890 . 0 0 "[ . 1 . 2 . 3 .]" 1
2050 1 95 GLU HA 1 95 GLU HB2 3.000 . 3.500 3.034 3.029 3.039 . 0 0 "[ . 1 . 2 . 3 .]" 1
2051 1 95 GLU HB3 1 96 LYS HA 4.000 . 5.000 4.563 4.505 4.627 . 0 0 "[ . 1 . 2 . 3 .]" 1
2052 1 95 GLU HA 1 96 LYS HA 4.000 . 5.000 4.867 4.829 4.903 . 0 0 "[ . 1 . 2 . 3 .]" 1
2053 1 95 GLU HB2 1 96 LYS HA 4.000 . 5.000 4.293 4.217 4.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
2054 1 95 GLU HA 1 98 GLU QB 4.000 . 5.000 3.024 2.845 3.190 . 0 0 "[ . 1 . 2 . 3 .]" 1
2055 1 95 GLU HA 1 98 GLU QG 4.000 . 6.000 4.931 4.504 5.309 . 0 0 "[ . 1 . 2 . 3 .]" 1
2056 1 96 LYS HA 1 96 LYS QE 4.000 . 5.000 4.396 3.537 4.936 . 0 0 "[ . 1 . 2 . 3 .]" 1
2057 1 96 LYS HA 1 96 LYS QD 4.000 . 5.000 3.849 3.763 4.099 . 0 0 "[ . 1 . 2 . 3 .]" 1
2058 1 96 LYS HB2 1 96 LYS QE 4.000 . 5.000 3.680 2.268 4.114 . 0 0 "[ . 1 . 2 . 3 .]" 1
2059 1 96 LYS HB3 1 97 LEU MD2 4.000 . 5.500 4.429 4.280 4.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
2060 1 96 LYS HA 1 99 ALA MB 2.500 . 3.400 3.039 2.896 3.165 . 0 0 "[ . 1 . 2 . 3 .]" 1
2061 1 96 LYS QG 1 99 ALA MB 4.000 . 5.500 3.501 3.251 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
2062 1 96 LYS QG 1 100 THR HB 4.000 . 5.000 4.698 4.479 5.001 0.001 29 0 "[ . 1 . 2 . 3 .]" 1
2063 1 97 LEU HA 1 97 LEU MD2 3.000 . 3.800 2.191 2.141 2.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
2064 1 97 LEU HB3 1 97 LEU MD1 2.500 . 3.200 2.432 2.346 2.575 . 0 0 "[ . 1 . 2 . 3 .]" 1
2065 1 97 LEU HB2 1 97 LEU MD1 3.000 . 3.800 2.269 2.191 2.331 . 0 0 "[ . 1 . 2 . 3 .]" 1
2066 1 97 LEU HA 1 97 LEU MD1 4.000 . 5.500 3.838 3.800 3.867 . 0 0 "[ . 1 . 2 . 3 .]" 1
2067 1 97 LEU HA 1 97 LEU HG 4.000 . 5.000 2.801 2.723 2.872 . 0 0 "[ . 1 . 2 . 3 .]" 1
2068 1 97 LEU HA 1 100 THR MG 4.000 . 5.500 4.652 4.470 4.850 . 0 0 "[ . 1 . 2 . 3 .]" 1
2069 1 97 LEU HA 1 100 THR HB 4.000 . 5.000 3.282 3.064 3.486 . 0 0 "[ . 1 . 2 . 3 .]" 1
2070 1 97 LEU MD2 1 100 THR HB 4.000 . 5.500 4.097 3.895 4.318 . 0 0 "[ . 1 . 2 . 3 .]" 1
2071 1 97 LEU MD2 1 101 ILE MD 3.000 . 5.200 3.374 2.957 3.621 . 0 0 "[ . 1 . 2 . 3 .]" 1
2072 1 97 LEU HB3 1 101 ILE MD 4.000 . 5.500 2.640 2.371 2.848 . 0 0 "[ . 1 . 2 . 3 .]" 1
2073 1 97 LEU HA 1 101 ILE MD 4.000 . 5.500 3.886 3.759 4.045 . 0 0 "[ . 1 . 2 . 3 .]" 1
2074 1 97 LEU MD1 1 101 ILE MD 4.000 . 6.000 3.942 3.624 4.272 . 0 0 "[ . 1 . 2 . 3 .]" 1
2075 1 98 GLU QG 1 99 ALA HA 4.000 . 5.000 3.819 3.466 4.689 . 0 0 "[ . 1 . 2 . 3 .]" 1
2076 1 98 GLU QB 1 99 ALA MB 4.000 . 5.500 3.796 3.730 3.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
2077 1 98 GLU QG 1 99 ALA MB 4.000 . 5.500 4.441 4.202 5.033 . 0 0 "[ . 1 . 2 . 3 .]" 1
2078 1 98 GLU HA 1 101 ILE MD 3.000 . 3.800 2.417 2.292 2.570 . 0 0 "[ . 1 . 2 . 3 .]" 1
2079 1 98 GLU HA 1 101 ILE MG 4.000 . 5.500 4.166 3.891 4.359 . 0 0 "[ . 1 . 2 . 3 .]" 1
2080 1 98 GLU QG 1 101 ILE MG 4.000 . 5.500 4.747 4.367 5.236 . 0 0 "[ . 1 . 2 . 3 .]" 1
2081 1 98 GLU QG 1 101 ILE HB 4.000 . 5.000 4.265 3.965 4.665 . 0 0 "[ . 1 . 2 . 3 .]" 1
2082 1 98 GLU HA 1 101 ILE HB 4.000 . 5.000 2.936 2.627 3.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
2083 1 98 GLU HA 1 101 ILE QG 4.000 . 5.000 4.055 3.915 4.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
2084 1 98 GLU QG 1 102 ASN QB 4.000 . 5.000 3.630 2.850 4.223 . 0 0 "[ . 1 . 2 . 3 .]" 1
2085 1 98 GLU HA 1 102 ASN QB 4.000 . 5.200 4.670 4.177 4.877 . 0 0 "[ . 1 . 2 . 3 .]" 1
2086 1 99 ALA HA 1 100 THR HA 4.000 . 5.000 4.747 4.712 4.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
2087 1 99 ALA MB 1 100 THR HA 4.000 . 5.500 3.798 3.755 3.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
2088 1 99 ALA HA 1 101 ILE HB 4.000 . 5.000 5.181 5.114 5.250 0.250 4 0 "[ . 1 . 2 . 3 .]" 1
2089 1 99 ALA HA 1 102 ASN QB 4.000 . 5.000 2.718 2.258 3.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
2090 1 100 THR HA 1 100 THR MG 2.500 . 3.200 2.238 2.215 2.279 . 0 0 "[ . 1 . 2 . 3 .]" 1
2091 1 100 THR HA 1 100 THR HB 3.000 . 3.500 3.030 3.023 3.036 . 0 0 "[ . 1 . 2 . 3 .]" 1
2092 1 100 THR MG 1 101 ILE HA 4.000 . 5.500 3.811 3.723 3.945 . 0 0 "[ . 1 . 2 . 3 .]" 1
2093 1 100 THR HB 1 101 ILE QG 4.000 . 5.000 3.368 3.275 3.457 . 0 0 "[ . 1 . 2 . 3 .]" 1
2094 1 100 THR MG 1 101 ILE QG 4.000 . 5.500 4.037 3.945 4.108 . 0 0 "[ . 1 . 2 . 3 .]" 1
2095 1 100 THR MG 1 103 GLU QG 4.000 . 5.500 4.206 3.825 4.529 . 0 0 "[ . 1 . 2 . 3 .]" 1
2096 1 100 THR MG 1 103 GLU HB2 4.000 . 5.500 4.159 3.992 4.298 . 0 0 "[ . 1 . 2 . 3 .]" 1
2097 1 100 THR HA 1 103 GLU QG 4.000 . 5.000 3.876 3.629 4.285 . 0 0 "[ . 1 . 2 . 3 .]" 1
2098 1 100 THR HA 1 103 GLU HA 4.000 . 5.000 4.962 4.866 5.030 0.030 10 0 "[ . 1 . 2 . 3 .]" 1
2099 1 100 THR HA 1 103 GLU HB3 4.000 . 5.000 2.440 2.354 2.566 . 0 0 "[ . 1 . 2 . 3 .]" 1
2100 1 100 THR HA 1 103 GLU HB2 4.000 . 5.000 2.716 2.565 2.820 . 0 0 "[ . 1 . 2 . 3 .]" 1
2101 1 100 THR MG 1 104 LEU MD1 2.500 . 3.700 2.244 2.140 2.444 . 0 0 "[ . 1 . 2 . 3 .]" 1
2102 1 100 THR MG 1 104 LEU HG 4.000 . 5.500 2.988 2.749 3.255 . 0 0 "[ . 1 . 2 . 3 .]" 1
2103 1 100 THR HA 1 104 LEU HG 4.000 . 5.000 4.110 3.860 4.345 . 0 0 "[ . 1 . 2 . 3 .]" 1
2104 1 101 ILE HA 1 101 ILE MD 4.000 . 5.500 3.841 3.814 3.859 . 0 0 "[ . 1 . 2 . 3 .]" 1
2105 1 101 ILE HB 1 101 ILE MD 3.000 . 3.800 2.231 2.207 2.260 . 0 0 "[ . 1 . 2 . 3 .]" 1
2106 1 101 ILE QG 1 102 ASN HA 4.000 . 6.500 5.779 5.750 5.806 . 0 0 "[ . 1 . 2 . 3 .]" 1
2107 1 101 ILE MG 1 102 ASN HA 4.000 . 5.500 3.268 3.197 3.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
2108 1 101 ILE HA 1 104 LEU MD1 4.000 . 5.500 4.002 3.835 4.156 . 0 0 "[ . 1 . 2 . 3 .]" 1
2109 1 101 ILE MG 1 105 VAL MG2 3.000 . 4.300 3.345 3.295 3.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
2110 1 101 ILE HB 1 105 VAL HB 4.000 . 5.000 5.044 4.959 5.120 0.120 32 0 "[ . 1 . 2 . 3 .]" 1
2111 1 101 ILE HA 1 105 VAL HA 4.000 . 5.000 5.092 5.030 5.162 0.162 27 0 "[ . 1 . 2 . 3 .]" 1
2112 1 101 ILE HA 1 105 VAL HB 4.000 . 5.000 4.396 4.304 4.460 . 0 0 "[ . 1 . 2 . 3 .]" 1
2113 1 101 ILE QG 1 105 VAL HB 4.000 . 5.500 5.484 5.362 5.552 0.052 15 0 "[ . 1 . 2 . 3 .]" 1
2114 1 101 ILE MG 1 105 VAL HA 4.000 . 5.500 4.067 3.941 4.217 . 0 0 "[ . 1 . 2 . 3 .]" 1
2115 1 101 ILE MG 1 105 VAL HB 4.000 . 5.500 2.863 2.767 2.949 . 0 0 "[ . 1 . 2 . 3 .]" 1
2116 1 102 ASN QB 1 103 GLU HB2 4.000 . 5.000 4.050 3.948 4.134 . 0 0 "[ . 1 . 2 . 3 .]" 1
2117 1 102 ASN QB 1 103 GLU HB3 4.000 . 5.500 4.940 4.826 5.019 . 0 0 "[ . 1 . 2 . 3 .]" 1
2118 1 102 ASN HA 1 103 GLU HA 4.000 . 5.000 4.807 4.785 4.823 . 0 0 "[ . 1 . 2 . 3 .]" 1
2119 1 102 ASN QB 1 103 GLU HA 4.000 . 5.000 4.084 4.025 4.170 . 0 0 "[ . 1 . 2 . 3 .]" 1
2120 1 102 ASN HA 1 105 VAL MG2 3.000 . 4.200 3.862 3.773 4.001 . 0 0 "[ . 1 . 2 . 3 .]" 1
2121 1 102 ASN HA 1 105 VAL HA 4.000 . 5.000 5.056 4.980 5.179 0.179 10 0 "[ . 1 . 2 . 3 .]" 1
2122 1 102 ASN QB 1 105 VAL MG1 4.000 . 5.500 3.910 3.844 4.029 . 0 0 "[ . 1 . 2 . 3 .]" 1
2123 1 102 ASN HA 1 105 VAL MG1 3.000 . 3.800 2.275 2.208 2.400 . 0 0 "[ . 1 . 2 . 3 .]" 1
2124 1 102 ASN HA 1 105 VAL HB 4.000 . 5.000 2.660 2.554 2.824 . 0 0 "[ . 1 . 2 . 3 .]" 1
2125 1 103 GLU HA 1 103 GLU HB3 3.000 . 3.500 3.025 3.019 3.030 . 0 0 "[ . 1 . 2 . 3 .]" 1
2126 1 103 GLU HA 1 103 GLU QG 3.000 . 3.500 2.401 2.304 2.741 . 0 0 "[ . 1 . 2 . 3 .]" 1
2127 1 103 GLU HA 1 103 GLU HB2 3.000 . 3.500 2.552 2.536 2.592 . 0 0 "[ . 1 . 2 . 3 .]" 1
2128 1 103 GLU QG 1 104 LEU HG 4.000 . 5.000 3.839 3.370 4.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
2129 1 103 GLU QG 1 104 LEU HA 4.000 . 5.500 4.450 3.846 5.052 . 0 0 "[ . 1 . 2 . 3 .]" 1
2130 1 103 GLU QG 1 104 LEU MD2 4.000 . 5.500 3.602 2.835 4.334 . 0 0 "[ . 1 . 2 . 3 .]" 1
2131 1 103 GLU HB3 1 104 LEU HG 4.000 . 5.000 2.718 2.592 2.860 . 0 0 "[ . 1 . 2 . 3 .]" 1
2132 1 103 GLU HB3 1 104 LEU HA 4.000 . 5.000 4.343 4.299 4.412 . 0 0 "[ . 1 . 2 . 3 .]" 1
2133 1 103 GLU HA 1 104 LEU HA 4.000 . 5.000 4.648 4.631 4.664 . 0 0 "[ . 1 . 2 . 3 .]" 1
2134 1 103 GLU HA 1 104 LEU MD2 4.000 . 5.800 4.946 4.678 5.167 . 0 0 "[ . 1 . 2 . 3 .]" 1
2135 1 103 GLU QG 1 104 LEU MD1 4.000 . 5.500 4.865 4.408 5.164 . 0 0 "[ . 1 . 2 . 3 .]" 1
2136 1 103 GLU HB2 1 104 LEU MD2 4.000 . 5.500 5.140 4.879 5.391 . 0 0 "[ . 1 . 2 . 3 .]" 1
2137 1 103 GLU HB3 1 104 LEU MD2 4.000 . 5.500 3.805 3.561 4.021 . 0 0 "[ . 1 . 2 . 3 .]" 1
2138 1 103 GLU HB2 1 104 LEU HG 4.000 . 5.000 4.474 4.352 4.614 . 0 0 "[ . 1 . 2 . 3 .]" 1
2139 1 103 GLU HA 1 105 VAL MG1 4.000 . 5.500 4.415 4.330 4.500 . 0 0 "[ . 1 . 2 . 3 .]" 1
2140 1 104 LEU HB3 1 104 LEU MD2 2.500 . 3.200 2.264 2.234 2.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
2141 1 104 LEU HA 1 104 LEU MD2 2.500 . 3.200 2.154 2.097 2.204 . 0 0 "[ . 1 . 2 . 3 .]" 1
2142 1 104 LEU HB2 1 104 LEU MD1 2.500 . 3.200 2.330 2.254 2.413 . 0 0 "[ . 1 . 2 . 3 .]" 1
2143 1 104 LEU HA 1 104 LEU MD1 4.000 . 5.500 3.830 3.808 3.873 . 0 0 "[ . 1 . 2 . 3 .]" 1
2144 1 104 LEU HB3 1 104 LEU MD1 3.000 . 3.800 2.377 2.298 2.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
2145 1 104 LEU HA 1 104 LEU HG 4.000 . 5.000 2.976 2.877 3.076 . 0 0 "[ . 1 . 2 . 3 .]" 1
2146 1 104 LEU HA 1 105 VAL MG1 4.000 . 5.800 4.775 4.694 4.865 . 0 0 "[ . 1 . 2 . 3 .]" 1
2147 1 104 LEU HA 1 105 VAL HA 4.000 . 5.000 4.809 4.780 4.829 . 0 0 "[ . 1 . 2 . 3 .]" 1
2148 1 105 VAL HA 1 105 VAL MG1 3.000 . 3.800 3.208 3.201 3.216 . 0 0 "[ . 1 . 2 . 3 .]" 1
2149 1 105 VAL HA 1 105 VAL MG2 2.500 . 3.200 2.266 2.233 2.310 . 0 0 "[ . 1 . 2 . 3 .]" 1
2150 1 105 VAL HA 1 105 VAL HB 3.000 . 3.500 2.564 2.544 2.586 . 0 0 "[ . 1 . 2 . 3 .]" 1
2151 2 2 ALA MB 2 3 THR H 4.000 . 5.500 3.221 3.097 3.321 . 0 0 "[ . 1 . 2 . 3 .]" 1
2152 2 2 ALA HA 2 3 THR H 2.500 . 2.900 2.193 2.161 2.218 . 0 0 "[ . 1 . 2 . 3 .]" 1
2153 2 3 THR H 2 3 THR MG 4.000 . 5.500 3.819 2.633 3.882 . 0 0 "[ . 1 . 2 . 3 .]" 1
2154 2 3 THR H 2 3 THR HB 4.000 . 5.000 2.666 2.571 3.790 . 0 0 "[ . 1 . 2 . 3 .]" 1
2155 2 3 THR HA 2 4 LEU H 2.500 . 2.900 2.205 2.177 2.352 . 0 0 "[ . 1 . 2 . 3 .]" 1
2156 2 3 THR HB 2 4 LEU H 4.000 . 5.000 4.085 2.680 4.239 . 0 0 "[ . 1 . 2 . 3 .]" 1
2157 2 3 THR MG 2 4 LEU H 4.000 . 5.500 2.693 2.521 3.952 . 0 0 "[ . 1 . 2 . 3 .]" 1
2158 2 3 THR H 2 4 LEU H 4.000 . 5.000 4.466 4.412 4.526 . 0 0 "[ . 1 . 2 . 3 .]" 1
2159 2 4 LEU H 2 4 LEU HG 4.000 . 5.000 2.358 2.255 2.463 . 0 0 "[ . 1 . 2 . 3 .]" 1
2160 2 4 LEU H 2 4 LEU HB2 4.000 . 5.000 2.397 2.353 2.423 . 0 0 "[ . 1 . 2 . 3 .]" 1
2161 2 4 LEU H 2 4 LEU HB3 4.000 . 5.000 3.605 3.592 3.618 . 0 0 "[ . 1 . 2 . 3 .]" 1
2162 2 4 LEU HA 2 5 LYS H 3.000 . 3.500 3.492 3.437 3.517 0.017 9 0 "[ . 1 . 2 . 3 .]" 1
2163 2 4 LEU QB 2 5 LYS H 4.000 . 5.000 2.788 2.707 2.957 . 0 0 "[ . 1 . 2 . 3 .]" 1
2164 2 4 LEU H 2 5 LYS H 4.000 . 5.000 2.579 2.508 2.645 . 0 0 "[ . 1 . 2 . 3 .]" 1
2165 2 5 LYS H 2 5 LYS QG 4.000 . 5.000 2.054 1.957 2.124 . 0 0 "[ . 1 . 2 . 3 .]" 1
2166 2 5 LYS HA 2 6 ILE H 4.000 . 5.000 3.443 3.384 3.487 . 0 0 "[ . 1 . 2 . 3 .]" 1
2167 2 5 LYS QB 2 6 ILE H 4.000 . 5.000 2.974 2.812 3.135 . 0 0 "[ . 1 . 2 . 3 .]" 1
2168 2 5 LYS H 2 6 ILE H 3.000 . 3.500 2.642 2.578 2.701 . 0 0 "[ . 1 . 2 . 3 .]" 1
2169 2 6 ILE H 2 6 ILE MD 4.000 . 5.500 3.852 3.780 3.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
2170 2 6 ILE H 2 6 ILE QG 4.000 . 5.000 3.033 2.983 3.113 . 0 0 "[ . 1 . 2 . 3 .]" 1
2171 2 6 ILE H 2 6 ILE MG 4.000 . 5.500 3.849 3.826 3.876 . 0 0 "[ . 1 . 2 . 3 .]" 1
2172 2 6 ILE QG 2 7 CYS H 4.000 . 5.000 4.593 4.506 4.624 . 0 0 "[ . 1 . 2 . 3 .]" 1
2173 2 6 ILE MD 2 7 CYS H 4.000 . 5.500 3.383 3.267 3.448 . 0 0 "[ . 1 . 2 . 3 .]" 1
2174 2 6 ILE MG 2 9 TRP HE1 4.000 . 6.500 4.644 4.433 4.811 . 0 0 "[ . 1 . 2 . 3 .]" 1
2175 2 7 CYS H 2 7 CYS HA 3.000 . 3.500 2.987 2.972 2.999 . 0 0 "[ . 1 . 2 . 3 .]" 1
2176 2 7 CYS HB2 2 8 SER H 4.000 . 5.000 4.077 3.971 4.210 . 0 0 "[ . 1 . 2 . 3 .]" 1
2177 2 7 CYS HB3 2 8 SER H 4.000 . 5.000 3.390 3.281 3.556 . 0 0 "[ . 1 . 2 . 3 .]" 1
2178 2 8 SER H 2 8 SER QB 3.000 . 3.500 2.436 2.400 2.464 . 0 0 "[ . 1 . 2 . 3 .]" 1
2179 2 7 CYS HA 2 8 SER H 3.000 . 3.500 2.238 2.213 2.261 . 0 0 "[ . 1 . 2 . 3 .]" 1
2180 2 8 SER HA 2 9 TRP H 3.000 . 3.500 2.248 2.204 2.287 . 0 0 "[ . 1 . 2 . 3 .]" 1
2181 2 8 SER QB 2 9 TRP H 4.000 . 5.000 2.943 2.841 3.063 . 0 0 "[ . 1 . 2 . 3 .]" 1
2182 2 9 TRP HA 2 10 ASN H 3.000 . 3.500 3.386 3.330 3.441 . 0 0 "[ . 1 . 2 . 3 .]" 1
2183 2 9 TRP HD1 2 10 ASN H 4.000 . 5.000 4.377 4.328 4.446 . 0 0 "[ . 1 . 2 . 3 .]" 1
2184 2 11 VAL H 2 11 VAL HB 4.000 . 5.000 3.395 2.532 3.634 . 0 0 "[ . 1 . 2 . 3 .]" 1
2185 2 11 VAL H 2 11 VAL QG 3.000 . 3.800 1.801 1.703 1.888 0.097 9 0 "[ . 1 . 2 . 3 .]" 1
2186 2 10 ASN HA 2 11 VAL H 3.000 . 3.500 3.392 3.349 3.417 . 0 0 "[ . 1 . 2 . 3 .]" 1
2187 2 11 VAL H 2 12 ASP H 4.000 . 5.000 4.658 4.627 4.707 . 0 0 "[ . 1 . 2 . 3 .]" 1
2188 2 11 VAL HA 2 12 ASP H 3.000 . 3.500 2.257 2.202 2.338 . 0 0 "[ . 1 . 2 . 3 .]" 1
2189 2 11 VAL QG 2 12 ASP H 3.000 . 3.800 3.197 2.090 3.541 . 0 0 "[ . 1 . 2 . 3 .]" 1
2190 2 1 PRO HA 2 1 PRO HB3 3.000 . 3.300 2.320 2.291 2.335 . 0 0 "[ . 1 . 2 . 3 .]" 1
2191 2 3 THR HA 2 3 THR MG 2.500 . 3.200 2.332 2.280 2.430 . 0 0 "[ . 1 . 2 . 3 .]" 1
2192 2 3 THR MG 2 5 LYS QE 4.000 . 5.500 4.494 3.994 5.599 0.099 31 0 "[ . 1 . 2 . 3 .]" 1
2193 2 4 LEU HA 2 4 LEU HG 3.000 . 3.600 2.817 2.714 2.912 . 0 0 "[ . 1 . 2 . 3 .]" 1
2194 2 4 LEU HA 2 4 LEU MD1 4.000 . 5.500 3.827 3.807 3.855 . 0 0 "[ . 1 . 2 . 3 .]" 1
2195 2 4 LEU HA 2 4 LEU MD2 2.500 . 3.200 2.177 2.119 2.238 . 0 0 "[ . 1 . 2 . 3 .]" 1
2196 2 5 LYS HA 2 5 LYS QD 4.000 . 5.000 2.156 2.091 2.269 . 0 0 "[ . 1 . 2 . 3 .]" 1
2197 2 5 LYS QB 2 5 LYS QE 4.000 . 5.000 3.607 3.503 3.839 . 0 0 "[ . 1 . 2 . 3 .]" 1
2198 2 6 ILE MD 2 7 CYS HA 4.000 . 5.500 5.619 5.571 5.655 0.155 32 0 "[ . 1 . 2 . 3 .]" 1
2199 2 6 ILE QG 2 7 CYS HA 4.000 . 6.000 6.112 6.081 6.145 0.145 29 0 "[ . 1 . 2 . 3 .]" 1
2200 2 8 SER QB 2 11 VAL QG 3.000 . 3.800 3.442 3.014 3.936 0.136 22 0 "[ . 1 . 2 . 3 .]" 1
2201 2 8 SER HA 2 11 VAL QG 4.000 . 5.500 4.614 4.364 4.834 . 0 0 "[ . 1 . 2 . 3 .]" 1
2202 2 9 TRP HZ2 2 11 VAL QG 4.000 . 6.500 6.755 6.671 6.918 0.418 29 0 "[ . 1 . 2 . 3 .]" 1
2203 2 9 TRP HZ3 2 11 VAL QG 4.000 . 6.500 6.253 6.090 6.565 0.065 29 0 "[ . 1 . 2 . 3 .]" 1
2204 2 9 TRP QB 2 11 VAL QG 4.000 . 5.500 3.717 3.621 3.966 . 0 0 "[ . 1 . 2 . 3 .]" 1
2205 2 9 TRP HA 2 9 TRP HD1 4.000 . 5.000 3.339 3.272 3.393 . 0 0 "[ . 1 . 2 . 3 .]" 1
2206 2 9 TRP HA 2 9 TRP HE3 4.000 . 5.000 4.109 4.040 4.213 . 0 0 "[ . 1 . 2 . 3 .]" 1
2207 2 11 VAL HA 2 11 VAL HB 3.000 . 3.500 2.545 2.450 3.026 . 0 0 "[ . 1 . 2 . 3 .]" 1
2208 2 11 VAL HA 2 11 VAL QG 3.000 . 3.800 2.221 2.088 2.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
2209 1 29 ALA MB 2 9 TRP HZ2 4.000 . 5.500 5.492 5.358 5.592 0.092 33 0 "[ . 1 . 2 . 3 .]" 1
2210 1 34 PRO QG 2 5 LYS HA 4.000 . 5.000 4.677 4.180 4.929 . 0 0 "[ . 1 . 2 . 3 .]" 1
2211 1 34 PRO HB3 2 5 LYS HA 4.000 . 5.000 4.552 4.138 4.908 . 0 0 "[ . 1 . 2 . 3 .]" 1
2212 1 59 VAL MG1 2 9 TRP HZ2 3.000 . 3.800 2.340 2.247 2.598 . 0 0 "[ . 1 . 2 . 3 .]" 1
2213 1 59 VAL MG1 2 9 TRP HH2 3.000 . 3.800 2.270 2.136 2.494 . 0 0 "[ . 1 . 2 . 3 .]" 1
2214 1 59 VAL MG1 2 9 TRP HZ3 4.000 . 5.500 4.075 3.802 4.301 . 0 0 "[ . 1 . 2 . 3 .]" 1
2215 1 59 VAL MG2 2 9 TRP HZ2 4.000 . 5.500 3.722 3.536 3.946 . 0 0 "[ . 1 . 2 . 3 .]" 1
2216 1 59 VAL MG2 2 9 TRP HH2 4.000 . 5.500 3.693 3.606 3.769 . 0 0 "[ . 1 . 2 . 3 .]" 1
2217 1 66 ALA MB 2 9 TRP HZ3 4.000 . 6.500 3.307 2.747 3.482 . 0 0 "[ . 1 . 2 . 3 .]" 1
2218 1 71 VAL MG1 2 9 TRP HZ2 4.000 . 5.500 2.046 2.030 2.073 . 0 0 "[ . 1 . 2 . 3 .]" 1
2219 1 71 VAL MG1 2 9 TRP HE3 4.000 . 5.500 5.607 5.543 5.656 0.156 27 0 "[ . 1 . 2 . 3 .]" 1
2220 1 71 VAL MG1 2 9 TRP HZ3 4.000 . 5.500 5.110 5.014 5.178 . 0 0 "[ . 1 . 2 . 3 .]" 1
2221 1 71 VAL MG2 2 9 TRP HE3 4.000 . 6.500 6.367 6.305 6.435 . 0 0 "[ . 1 . 2 . 3 .]" 1
2222 1 71 VAL MG2 2 9 TRP HZ3 4.000 . 5.500 4.998 4.891 5.088 . 0 0 "[ . 1 . 2 . 3 .]" 1
2223 1 71 VAL HB 2 9 TRP HZ3 4.000 . 6.000 4.153 4.092 4.229 . 0 0 "[ . 1 . 2 . 3 .]" 1
2224 1 71 VAL HB 2 9 TRP HE3 4.000 . 5.000 5.303 5.258 5.363 0.363 24 0 "[ . 1 . 2 . 3 .]" 1
2225 1 72 LYS HA 2 9 TRP HE3 4.000 3.000 14.000 5.679 5.457 5.904 . 0 0 "[ . 1 . 2 . 3 .]" 1
2226 1 72 LYS HA 2 9 TRP HZ3 5.000 4.000 55.000 6.524 6.367 6.680 . 0 0 "[ . 1 . 2 . 3 .]" 1
2227 1 72 LYS HA 2 9 TRP QB 5.000 4.000 55.000 4.470 4.234 4.708 . 0 0 "[ . 1 . 2 . 3 .]" 1
2228 1 72 LYS HA 2 9 TRP HD1 5.000 4.000 55.000 4.738 4.510 4.943 . 0 0 "[ . 1 . 2 . 3 .]" 1
2229 1 73 ALA MB 2 6 ILE QG 3.000 . 4.300 3.686 3.393 3.868 . 0 0 "[ . 1 . 2 . 3 .]" 1
2230 1 73 ALA MB 2 6 ILE MD 3.000 . 4.300 2.944 2.648 3.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
2231 1 73 ALA MB 2 6 ILE MG 2.500 . 3.700 1.997 1.891 2.107 . 0 0 "[ . 1 . 2 . 3 .]" 1
2232 1 73 ALA HA 2 6 ILE MG 4.000 . 5.500 3.518 3.291 3.656 . 0 0 "[ . 1 . 2 . 3 .]" 1
2233 1 73 ALA MB 2 8 SER QB 4.000 . 5.500 5.536 5.459 5.602 0.102 28 0 "[ . 1 . 2 . 3 .]" 1
2234 1 73 ALA MB 2 8 SER HA 3.000 . 4.000 4.085 4.009 4.151 0.151 27 0 "[ . 1 . 2 . 3 .]" 1
2235 1 73 ALA HA 2 8 SER HA 4.000 . 5.000 4.097 3.972 4.227 . 0 0 "[ . 1 . 2 . 3 .]" 1
2236 1 73 ALA HA 2 9 TRP QB 4.000 . 5.000 4.695 4.591 4.750 . 0 0 "[ . 1 . 2 . 3 .]" 1
2237 1 74 THR MG 2 9 TRP HZ2 4.000 . 5.500 2.117 2.039 2.214 . 0 0 "[ . 1 . 2 . 3 .]" 1
2238 1 74 THR MG 2 9 TRP QB 4.000 . 5.500 5.074 4.941 5.188 . 0 0 "[ . 1 . 2 . 3 .]" 1
2239 1 74 THR MG 2 9 TRP HZ3 4.000 . 5.500 5.081 4.920 5.207 . 0 0 "[ . 1 . 2 . 3 .]" 1
2240 1 74 THR H 2 7 CYS H 4.000 . 5.000 3.043 2.831 3.254 . 0 0 "[ . 1 . 2 . 3 .]" 1
2241 1 74 THR MG 2 9 TRP HA 4.000 . 5.500 4.921 4.664 5.132 . 0 0 "[ . 1 . 2 . 3 .]" 1
2242 1 90 SER HB2 2 6 ILE MD 4.000 . 5.500 2.722 2.571 2.812 . 0 0 "[ . 1 . 2 . 3 .]" 1
2243 1 90 SER HB2 2 6 ILE MG 4.000 . 5.500 4.372 4.275 4.449 . 0 0 "[ . 1 . 2 . 3 .]" 1
2244 1 90 SER HB3 2 6 ILE MD 3.000 . 4.200 4.229 4.093 4.289 0.089 30 0 "[ . 1 . 2 . 3 .]" 1
2245 1 90 SER HB3 2 6 ILE MG 4.000 . 5.500 5.547 5.444 5.621 0.121 14 0 "[ . 1 . 2 . 3 .]" 1
2246 1 91 GLY H 2 6 ILE MD 4.000 . 5.000 2.511 2.272 2.647 . 0 0 "[ . 1 . 2 . 3 .]" 1
2247 1 91 GLY H 2 6 ILE HA 4.000 . 5.000 5.162 5.108 5.229 0.229 30 0 "[ . 1 . 2 . 3 .]" 1
2248 1 91 GLY HA2 2 6 ILE MD 3.000 . 3.800 2.057 2.032 2.077 . 0 0 "[ . 1 . 2 . 3 .]" 1
2249 1 91 GLY HA3 2 6 ILE MD 4.000 . 5.500 3.399 3.359 3.431 . 0 0 "[ . 1 . 2 . 3 .]" 1
2250 1 91 GLY HA2 2 6 ILE QG 3.000 . 3.800 3.194 2.952 3.403 . 0 0 "[ . 1 . 2 . 3 .]" 1
2251 1 92 ALA MB 2 5 LYS QB 3.000 . 3.800 2.493 2.263 2.718 . 0 0 "[ . 1 . 2 . 3 .]" 1
2252 1 92 ALA MB 2 5 LYS HA 4.000 . 5.500 2.553 2.314 2.815 . 0 0 "[ . 1 . 2 . 3 .]" 1
2253 1 92 ALA MB 2 5 LYS QG 3.000 . 3.800 3.765 3.645 3.891 0.091 10 0 "[ . 1 . 2 . 3 .]" 1
2254 1 92 ALA H 2 6 ILE MD 4.000 . 5.500 3.000 2.880 3.105 . 0 0 "[ . 1 . 2 . 3 .]" 1
2255 1 92 ALA MB 2 6 ILE MD 4.000 . 5.500 3.775 3.680 3.878 . 0 0 "[ . 1 . 2 . 3 .]" 1
2256 1 92 ALA H 2 5 LYS QB 2.500 . 3.000 2.514 2.334 2.713 . 0 0 "[ . 1 . 2 . 3 .]" 1
2257 1 92 ALA MB 2 6 ILE QG 4.000 . 5.500 4.656 4.519 4.870 . 0 0 "[ . 1 . 2 . 3 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 36
_Distance_constraint_stats_list.Viol_count 108
_Distance_constraint_stats_list.Viol_total 837.346
_Distance_constraint_stats_list.Viol_max 2.856
_Distance_constraint_stats_list.Viol_rms 0.1048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0190
_Distance_constraint_stats_list.Viol_average_violations_only 0.2215
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 23 VAL 0.107 0.074 17 0 "[ . 1 . 2 . 3 .]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 26 ASP 2.616 0.795 29 1 "[ . 1 . 2 . +3 .]"
1 28 SER 2.616 0.795 29 1 "[ . 1 . 2 . +3 .]"
1 31 TRP 0.616 0.153 35 0 "[ . 1 . 2 . 3 .]"
1 39 LYS 20.586 2.856 35 1 "[ . 1 . 2 . 3 +]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 56 GLU 20.586 2.856 35 1 "[ . 1 . 2 . 3 +]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 60 ASP 0.616 0.153 35 0 "[ . 1 . 2 . 3 .]"
1 78 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 79 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 80 PHE 0.107 0.074 17 0 "[ . 1 . 2 . 3 .]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 84 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 100 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
1 102 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3 .]"
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 26 ASP OD1 1 28 SER HG 1.800 . 2.500 2.422 1.817 3.295 0.795 29 1 "[ . 1 . 2 . +3 .]" 2
2 1 26 ASP OD1 1 28 SER OG 2.800 2.400 3.500 2.716 2.410 3.290 . 0 0 "[ . 1 . 2 . 3 .]" 2
3 1 31 TRP HE1 1 60 ASP OD1 1.800 . 2.500 2.041 1.768 2.653 0.153 35 0 "[ . 1 . 2 . 3 .]" 2
4 1 31 TRP NE1 1 60 ASP OD1 2.800 2.400 3.500 2.519 2.362 2.880 0.038 8 0 "[ . 1 . 2 . 3 .]" 2
5 1 39 LYS QZ 1 56 GLU OE1 2.800 2.400 3.500 2.229 2.067 4.230 0.730 35 1 "[ . 1 . 2 . 3 +]" 2
6 1 39 LYS NZ 1 56 GLU OE1 1.800 . 2.500 2.844 2.689 5.356 2.856 35 1 "[ . 1 . 2 . 3 +]" 2
7 1 3 LYS O 1 56 GLU N 2.800 2.400 3.500 3.123 2.884 3.318 . 0 0 "[ . 1 . 2 . 3 .]" 2
8 1 3 LYS O 1 56 GLU H 1.800 . 2.500 2.169 1.940 2.367 . 0 0 "[ . 1 . 2 . 3 .]" 2
9 1 26 ASP O 1 57 VAL N 2.800 2.400 3.500 2.700 2.629 2.876 . 0 0 "[ . 1 . 2 . 3 .]" 2
10 1 26 ASP O 1 57 VAL H 1.800 . 2.500 1.802 1.744 1.933 . 0 0 "[ . 1 . 2 . 3 .]" 2
11 1 26 ASP N 1 55 LEU O 2.800 2.400 3.500 2.883 2.823 2.945 . 0 0 "[ . 1 . 2 . 3 .]" 2
12 1 26 ASP H 1 55 LEU O 1.800 . 2.500 1.918 1.852 1.977 . 0 0 "[ . 1 . 2 . 3 .]" 2
13 1 24 VAL N 1 53 ILE O 2.800 2.400 3.500 3.050 2.945 3.190 . 0 0 "[ . 1 . 2 . 3 .]" 2
14 1 24 VAL H 1 53 ILE O 1.800 . 2.500 2.128 2.019 2.273 . 0 0 "[ . 1 . 2 . 3 .]" 2
15 1 23 VAL N 1 80 PHE O 2.800 2.400 3.600 3.071 2.926 3.258 . 0 0 "[ . 1 . 2 . 3 .]" 2
16 1 23 VAL H 1 80 PHE O 1.800 . 2.600 2.475 2.291 2.674 0.074 17 0 "[ . 1 . 2 . 3 .]" 2
17 1 23 VAL O 1 80 PHE N 2.800 2.400 3.500 2.801 2.744 2.882 . 0 0 "[ . 1 . 2 . 3 .]" 2
18 1 23 VAL O 1 80 PHE H 1.800 . 2.500 1.835 1.787 1.909 . 0 0 "[ . 1 . 2 . 3 .]" 2
19 1 25 VAL O 1 78 GLN N 2.800 2.400 3.500 2.937 2.830 3.016 . 0 0 "[ . 1 . 2 . 3 .]" 2
20 1 25 VAL O 1 78 GLN H 1.800 . 2.500 1.988 1.873 2.066 . 0 0 "[ . 1 . 2 . 3 .]" 2
21 1 25 VAL N 1 78 GLN O 2.800 2.400 3.500 2.764 2.697 2.844 . 0 0 "[ . 1 . 2 . 3 .]" 2
22 1 25 VAL H 1 78 GLN O 1.800 . 2.500 1.882 1.820 1.986 . 0 0 "[ . 1 . 2 . 3 .]" 2
23 1 81 LYS O 1 84 GLN N 2.800 2.400 3.500 2.737 2.570 2.940 . 0 0 "[ . 1 . 2 . 3 .]" 2
24 1 81 LYS O 1 84 GLN H 1.800 . 2.500 1.900 1.779 2.091 . 0 0 "[ . 1 . 2 . 3 .]" 2
25 1 81 LYS N 1 84 GLN O 2.800 2.400 3.500 2.677 2.592 2.730 . 0 0 "[ . 1 . 2 . 3 .]" 2
26 1 81 LYS H 1 84 GLN O 1.800 . 2.500 1.771 1.698 1.827 . 0 0 "[ . 1 . 2 . 3 .]" 2
27 1 79 PHE N 1 87 GLY O 2.800 2.400 3.500 2.841 2.752 3.056 . 0 0 "[ . 1 . 2 . 3 .]" 2
28 1 79 PHE H 1 87 GLY O 1.800 . 2.500 1.863 1.782 2.074 . 0 0 "[ . 1 . 2 . 3 .]" 2
29 1 79 PHE O 1 86 VAL N 2.800 2.400 3.500 3.023 2.765 3.135 . 0 0 "[ . 1 . 2 . 3 .]" 2
30 1 79 PHE O 1 86 VAL H 1.800 . 2.500 2.094 1.826 2.254 . 0 0 "[ . 1 . 2 . 3 .]" 2
31 1 10 ALA O 1 14 ALA N 2.800 2.400 3.500 2.713 2.641 2.778 . 0 0 "[ . 1 . 2 . 3 .]" 2
32 1 10 ALA O 1 14 ALA H 1.800 . 2.500 1.797 1.743 1.839 . 0 0 "[ . 1 . 2 . 3 .]" 2
33 1 96 LYS O 1 100 THR N 2.800 2.400 3.500 3.153 2.997 3.334 . 0 0 "[ . 1 . 2 . 3 .]" 2
34 1 96 LYS O 1 100 THR H 1.800 . 2.500 2.178 2.017 2.360 . 0 0 "[ . 1 . 2 . 3 .]" 2
35 1 98 GLU O 1 102 ASN N 2.800 2.400 3.500 3.112 2.694 3.274 . 0 0 "[ . 1 . 2 . 3 .]" 2
36 1 98 GLU O 1 102 ASN H 1.800 . 2.500 2.158 1.774 2.317 . 0 0 "[ . 1 . 2 . 3 .]" 2
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 6:24:11 PM GMT (wattos1)