NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436092 |
2k04   |
15636 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k04
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 1876
_Distance_constraint_stats_list.Viol_count 3892
_Distance_constraint_stats_list.Viol_total 5113.817
_Distance_constraint_stats_list.Viol_max 0.459
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0068
_Distance_constraint_stats_list.Viol_average_violations_only 0.0657
_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 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.681 0.128 3 0 "[ . 1 . 2]"
1 9 TYR 0.820 0.139 12 0 "[ . 1 . 2]"
1 10 ARG 0.600 0.173 19 0 "[ . 1 . 2]"
1 11 CYS 1.328 0.459 20 0 "[ . 1 . 2]"
1 12 PRO 7.245 0.330 20 0 "[ . 1 . 2]"
1 13 CYS 0.250 0.093 3 0 "[ . 1 . 2]"
1 14 ARG 0.931 0.190 10 0 "[ . 1 . 2]"
1 15 PHE 1.135 0.190 10 0 "[ . 1 . 2]"
1 16 PHE 2.511 0.123 3 0 "[ . 1 . 2]"
1 17 GLU 2.621 0.228 11 0 "[ . 1 . 2]"
1 18 SER 1.418 0.261 9 0 "[ . 1 . 2]"
1 19 HIS 0.883 0.261 9 0 "[ . 1 . 2]"
1 20 VAL 4.124 0.228 11 0 "[ . 1 . 2]"
1 21 ALA 2.310 0.159 4 0 "[ . 1 . 2]"
1 22 ARG 5.603 0.362 11 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.713 0.086 14 0 "[ . 1 . 2]"
1 25 VAL 8.465 0.362 11 0 "[ . 1 . 2]"
1 26 LYS 5.096 0.179 15 0 "[ . 1 . 2]"
1 27 HIS 5.938 0.171 1 0 "[ . 1 . 2]"
1 28 LEU 6.875 0.274 16 0 "[ . 1 . 2]"
1 29 LYS 9.166 0.329 1 0 "[ . 1 . 2]"
1 30 ILE 4.363 0.133 6 0 "[ . 1 . 2]"
1 31 LEU 6.957 0.334 5 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 4.575 0.396 15 0 "[ . 1 . 2]"
1 34 PRO 0.006 0.006 20 0 "[ . 1 . 2]"
1 36 CYS 2.808 0.459 20 0 "[ . 1 . 2]"
1 37 ALA 1.068 0.166 20 0 "[ . 1 . 2]"
1 38 CYS 0.237 0.068 14 0 "[ . 1 . 2]"
1 39 GLN 1.959 0.133 19 0 "[ . 1 . 2]"
1 40 ILE 1.606 0.093 1 0 "[ . 1 . 2]"
1 41 VAL 0.233 0.092 18 0 "[ . 1 . 2]"
1 42 ALA 1.464 0.155 14 0 "[ . 1 . 2]"
1 43 ARG 1.125 0.118 15 0 "[ . 1 . 2]"
1 44 LEU 4.584 0.220 2 0 "[ . 1 . 2]"
1 45 LYS 2.104 0.179 15 0 "[ . 1 . 2]"
1 48 ASN 0.536 0.209 10 0 "[ . 1 . 2]"
1 49 ARG 4.088 0.263 17 0 "[ . 1 . 2]"
1 50 GLN 0.464 0.075 4 0 "[ . 1 . 2]"
1 51 VAL 3.260 0.178 4 0 "[ . 1 . 2]"
1 52 CYS 0.562 0.093 3 0 "[ . 1 . 2]"
1 53 ILE 3.630 0.127 15 0 "[ . 1 . 2]"
1 54 ASP 1.199 0.143 5 0 "[ . 1 . 2]"
1 55 PRO 2.838 0.133 19 0 "[ . 1 . 2]"
1 56 LYS 2.867 0.297 7 0 "[ . 1 . 2]"
1 57 LEU 4.510 0.262 17 0 "[ . 1 . 2]"
1 58 LYS 0.874 0.114 1 0 "[ . 1 . 2]"
1 59 TRP 6.320 0.191 17 0 "[ . 1 . 2]"
1 60 ILE 8.696 0.274 16 0 "[ . 1 . 2]"
1 61 GLN 0.577 0.150 17 0 "[ . 1 . 2]"
1 62 GLU 2.628 0.160 15 0 "[ . 1 . 2]"
1 63 TYR 4.222 0.162 7 0 "[ . 1 . 2]"
1 64 LEU 2.334 0.082 1 0 "[ . 1 . 2]"
1 65 GLU 3.214 0.160 15 0 "[ . 1 . 2]"
1 66 LYS 1.193 0.154 6 0 "[ . 1 . 2]"
1 67 CYS 2.652 0.160 13 0 "[ . 1 . 2]"
1 68 LEU 4.920 0.163 1 0 "[ . 1 . 2]"
1 69 ASN 0.511 0.142 5 0 "[ . 1 . 2]"
1 70 LYS 2.924 0.290 8 0 "[ . 1 . 2]"
2 4 GLU 1.318 0.123 18 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 1.262 0.117 18 0 "[ . 1 . 2]"
2 7 SER 0.639 0.117 18 0 "[ . 1 . 2]"
2 8 ILE 2.956 0.263 17 0 "[ . 1 . 2]"
2 9 TYR 9.791 0.207 6 0 "[ . 1 . 2]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 TYR 18.258 0.396 15 0 "[ . 1 . 2]"
2 15 THR 2.742 0.223 20 0 "[ . 1 . 2]"
2 16 GLU 4.655 0.272 16 0 "[ . 1 . 2]"
2 17 GLU 1.009 0.249 8 0 "[ . 1 . 2]"
2 18 MET 0.814 0.249 8 0 "[ . 1 . 2]"
2 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TYR 6.064 0.257 2 0 "[ . 1 . 2]"
2 24 ASP 0.223 0.118 3 0 "[ . 1 . 2]"
2 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 MET 0.269 0.141 7 0 "[ . 1 . 2]"
2 27 LYS 1.164 0.176 19 0 "[ . 1 . 2]"
2 28 GLU 2.245 0.176 19 0 "[ . 1 . 2]"
2 29 PRO 5.300 0.219 19 0 "[ . 1 . 2]"
2 30 ALA 1.813 0.201 14 0 "[ . 1 . 2]"
2 31 PHE 0.831 0.128 7 0 "[ . 1 . 2]"
2 32 ARG 0.456 0.100 14 0 "[ . 1 . 2]"
2 33 GLU 1.330 0.164 6 0 "[ . 1 . 2]"
2 34 GLU 1.064 0.164 6 0 "[ . 1 . 2]"
2 38 PHE 0.368 0.091 15 0 "[ . 1 . 2]"
2 40 LYS 0.296 0.126 9 0 "[ . 1 . 2]"
3 7 LEU 0.003 0.003 6 0 "[ . 1 . 2]"
3 8 SER 0.640 0.128 11 0 "[ . 1 . 2]"
3 9 TYR 0.796 0.156 12 0 "[ . 1 . 2]"
3 10 ARG 0.861 0.151 19 0 "[ . 1 . 2]"
3 11 CYS 0.728 0.111 16 0 "[ . 1 . 2]"
3 12 PRO 6.800 0.335 20 0 "[ . 1 . 2]"
3 13 CYS 0.138 0.030 12 0 "[ . 1 . 2]"
3 14 ARG 0.767 0.133 4 0 "[ . 1 . 2]"
3 15 PHE 1.120 0.133 4 0 "[ . 1 . 2]"
3 16 PHE 2.634 0.171 13 0 "[ . 1 . 2]"
3 17 GLU 2.215 0.268 11 0 "[ . 1 . 2]"
3 18 SER 1.441 0.166 4 0 "[ . 1 . 2]"
3 19 HIS 0.868 0.144 13 0 "[ . 1 . 2]"
3 20 VAL 6.315 0.268 11 0 "[ . 1 . 2]"
3 21 ALA 1.850 0.125 18 0 "[ . 1 . 2]"
3 22 ARG 5.693 0.342 9 0 "[ . 1 . 2]"
3 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 24 ASN 1.175 0.095 6 0 "[ . 1 . 2]"
3 25 VAL 8.242 0.342 9 0 "[ . 1 . 2]"
3 26 LYS 4.338 0.206 18 0 "[ . 1 . 2]"
3 27 HIS 5.587 0.161 11 0 "[ . 1 . 2]"
3 28 LEU 7.899 0.228 18 0 "[ . 1 . 2]"
3 29 LYS 7.276 0.321 6 0 "[ . 1 . 2]"
3 30 ILE 4.029 0.133 16 0 "[ . 1 . 2]"
3 31 LEU 6.364 0.277 12 0 "[ . 1 . 2]"
3 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
3 33 THR 3.319 0.241 7 0 "[ . 1 . 2]"
3 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 CYS 2.062 0.145 5 0 "[ . 1 . 2]"
3 37 ALA 0.804 0.156 19 0 "[ . 1 . 2]"
3 38 CYS 0.516 0.099 8 0 "[ . 1 . 2]"
3 39 GLN 2.133 0.208 15 0 "[ . 1 . 2]"
3 40 ILE 2.002 0.095 1 0 "[ . 1 . 2]"
3 41 VAL 0.461 0.147 5 0 "[ . 1 . 2]"
3 42 ALA 1.147 0.100 16 0 "[ . 1 . 2]"
3 43 ARG 1.469 0.161 11 0 "[ . 1 . 2]"
3 44 LEU 3.936 0.259 1 0 "[ . 1 . 2]"
3 45 LYS 1.916 0.206 18 0 "[ . 1 . 2]"
3 48 ASN 0.332 0.145 12 0 "[ . 1 . 2]"
3 49 ARG 4.294 0.265 17 0 "[ . 1 . 2]"
3 50 GLN 0.445 0.070 17 0 "[ . 1 . 2]"
3 51 VAL 3.229 0.180 13 0 "[ . 1 . 2]"
3 52 CYS 0.331 0.103 19 0 "[ . 1 . 2]"
3 53 ILE 3.645 0.177 18 0 "[ . 1 . 2]"
3 54 ASP 1.028 0.127 14 0 "[ . 1 . 2]"
3 55 PRO 2.252 0.106 19 0 "[ . 1 . 2]"
3 56 LYS 2.671 0.274 20 0 "[ . 1 . 2]"
3 57 LEU 3.904 0.202 14 0 "[ . 1 . 2]"
3 58 LYS 0.939 0.100 5 0 "[ . 1 . 2]"
3 59 TRP 5.360 0.140 2 0 "[ . 1 . 2]"
3 60 ILE 7.930 0.228 18 0 "[ . 1 . 2]"
3 61 GLN 0.597 0.117 16 0 "[ . 1 . 2]"
3 62 GLU 2.992 0.368 8 0 "[ . 1 . 2]"
3 63 TYR 3.903 0.189 3 0 "[ . 1 . 2]"
3 64 LEU 2.172 0.117 16 0 "[ . 1 . 2]"
3 65 GLU 2.985 0.147 2 0 "[ . 1 . 2]"
3 66 LYS 0.940 0.123 2 0 "[ . 1 . 2]"
3 67 CYS 2.377 0.221 2 0 "[ . 1 . 2]"
3 68 LEU 5.263 0.219 19 0 "[ . 1 . 2]"
3 69 ASN 0.577 0.130 18 0 "[ . 1 . 2]"
3 70 LYS 3.576 0.271 3 0 "[ . 1 . 2]"
4 4 GLU 0.967 0.101 19 0 "[ . 1 . 2]"
4 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 6 ILE 1.067 0.137 18 0 "[ . 1 . 2]"
4 7 SER 0.489 0.137 18 0 "[ . 1 . 2]"
4 8 ILE 2.640 0.246 17 0 "[ . 1 . 2]"
4 9 TYR 9.308 0.288 16 0 "[ . 1 . 2]"
4 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 TYR 16.110 0.335 20 0 "[ . 1 . 2]"
4 15 THR 2.954 0.192 5 0 "[ . 1 . 2]"
4 16 GLU 3.893 0.262 16 0 "[ . 1 . 2]"
4 17 GLU 1.234 0.234 13 0 "[ . 1 . 2]"
4 18 MET 0.700 0.234 13 0 "[ . 1 . 2]"
4 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 21 GLY 0.056 0.056 2 0 "[ . 1 . 2]"
4 22 ASP 0.003 0.003 9 0 "[ . 1 . 2]"
4 23 TYR 8.061 0.257 18 0 "[ . 1 . 2]"
4 24 ASP 0.775 0.175 18 0 "[ . 1 . 2]"
4 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 26 MET 0.655 0.154 10 0 "[ . 1 . 2]"
4 27 LYS 1.789 0.266 13 0 "[ . 1 . 2]"
4 28 GLU 2.508 0.169 7 0 "[ . 1 . 2]"
4 29 PRO 6.525 0.188 18 0 "[ . 1 . 2]"
4 30 ALA 3.096 0.214 1 0 "[ . 1 . 2]"
4 31 PHE 1.223 0.214 1 0 "[ . 1 . 2]"
4 32 ARG 0.630 0.134 3 0 "[ . 1 . 2]"
4 33 GLU 2.166 0.245 15 0 "[ . 1 . 2]"
4 34 GLU 1.791 0.245 15 0 "[ . 1 . 2]"
4 38 PHE 0.363 0.079 5 0 "[ . 1 . 2]"
4 40 LYS 0.471 0.139 7 0 "[ . 1 . 2]"
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 7 LEU HA 1 7 LEU QD . . 3.450 2.694 2.067 3.435 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HA 1 9 TYR QD . . 4.180 3.703 2.926 4.237 0.057 8 0 "[ . 1 . 2]" 1
3 1 8 SER QB 1 9 TYR QD . . 4.220 3.797 2.179 4.348 0.128 3 0 "[ . 1 . 2]" 1
4 1 9 TYR HA 1 9 TYR QD . . 3.500 2.949 2.646 3.639 0.139 12 0 "[ . 1 . 2]" 1
5 1 10 ARG HA 1 10 ARG QD . . 4.090 3.532 1.956 4.263 0.173 19 0 "[ . 1 . 2]" 1
6 1 10 ARG HA 1 10 ARG QG . . 3.720 2.735 2.376 3.543 . 0 0 "[ . 1 . 2]" 1
7 1 10 ARG HB2 1 10 ARG QD . . 3.330 2.598 2.263 3.331 0.001 20 0 "[ . 1 . 2]" 1
8 1 10 ARG HB3 1 10 ARG QD . . 3.330 2.643 2.163 3.393 0.063 1 0 "[ . 1 . 2]" 1
9 1 11 CYS CB 1 36 CYS CB . . 3.990 3.950 3.559 4.449 0.459 20 0 "[ . 1 . 2]" 1
10 1 11 CYS CB 1 36 CYS SG . . 3.100 3.051 2.961 3.161 0.061 10 0 "[ . 1 . 2]" 1
11 1 11 CYS HA 1 12 PRO QD . . 3.730 2.143 1.908 2.464 . 0 0 "[ . 1 . 2]" 1
12 1 11 CYS QB 1 12 PRO QD . . 4.070 2.304 1.855 3.353 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS HB2 1 12 PRO QD . . 4.750 3.549 3.264 3.878 . 0 0 "[ . 1 . 2]" 1
14 1 11 CYS HB3 1 12 PRO QD . . 4.750 2.387 1.863 3.818 . 0 0 "[ . 1 . 2]" 1
15 1 11 CYS SG 1 36 CYS CB . . 3.100 3.059 2.951 3.138 0.038 13 0 "[ . 1 . 2]" 1
16 1 11 CYS SG 1 36 CYS SG . . 2.100 2.030 2.008 2.062 . 0 0 "[ . 1 . 2]" 1
17 1 12 PRO HA 2 14 TYR QE . . 3.700 3.721 2.479 3.921 0.221 5 0 "[ . 1 . 2]" 1
18 1 12 PRO HB2 1 31 LEU MD1 . . 4.490 3.643 2.035 4.778 0.288 8 0 "[ . 1 . 2]" 1
19 1 12 PRO HB2 1 31 LEU MD2 . . 4.490 3.914 2.257 4.649 0.159 19 0 "[ . 1 . 2]" 1
20 1 12 PRO HB2 1 33 THR MG . . 5.330 4.573 3.787 5.412 0.082 20 0 "[ . 1 . 2]" 1
21 1 12 PRO HB2 2 14 TYR QD . . 3.270 3.384 3.143 3.600 0.330 20 0 "[ . 1 . 2]" 1
22 1 12 PRO HB2 2 14 TYR QE . . 3.120 2.612 1.856 3.183 0.063 16 0 "[ . 1 . 2]" 1
23 1 12 PRO HB3 1 13 CYS H . . 4.450 3.976 3.482 4.468 0.018 12 0 "[ . 1 . 2]" 1
24 1 12 PRO HB3 1 31 LEU QD . . 4.050 2.993 2.194 3.663 . 0 0 "[ . 1 . 2]" 1
25 1 12 PRO HB3 2 14 TYR QD . . 3.230 1.954 1.737 2.171 . 0 0 "[ . 1 . 2]" 1
26 1 12 PRO HB3 2 14 TYR QE . . 3.070 2.058 1.876 2.283 . 0 0 "[ . 1 . 2]" 1
27 1 12 PRO QD 1 13 CYS H . . 4.580 2.920 2.182 3.542 . 0 0 "[ . 1 . 2]" 1
28 1 12 PRO QD 1 31 LEU QD . . 4.230 3.401 2.336 4.289 0.059 14 0 "[ . 1 . 2]" 1
29 1 12 PRO QD 1 33 THR MG . . 4.210 2.202 1.818 2.912 . 0 0 "[ . 1 . 2]" 1
30 1 12 PRO QD 2 14 TYR QE . . 5.410 4.425 3.899 5.043 . 0 0 "[ . 1 . 2]" 1
31 1 12 PRO QG 1 31 LEU QD . . 3.940 2.190 1.681 3.463 . 0 0 "[ . 1 . 2]" 1
32 1 12 PRO QG 1 33 THR MG . . 4.200 2.602 1.840 3.385 . 0 0 "[ . 1 . 2]" 1
33 1 12 PRO QG 2 14 TYR QD . . 5.500 2.864 1.807 3.981 . 0 0 "[ . 1 . 2]" 1
34 1 12 PRO QG 2 14 TYR QE . . 3.230 3.290 2.903 3.494 0.264 19 0 "[ . 1 . 2]" 1
35 1 13 CYS CB 1 52 CYS CB . . 3.990 3.723 3.442 4.083 0.093 3 0 "[ . 1 . 2]" 1
36 1 13 CYS CB 1 52 CYS SG . . 3.100 3.044 2.959 3.129 0.029 11 0 "[ . 1 . 2]" 1
37 1 13 CYS SG 1 52 CYS CB . . 3.100 3.052 2.969 3.136 0.036 11 0 "[ . 1 . 2]" 1
38 1 13 CYS SG 1 52 CYS SG . . 2.100 2.027 2.006 2.056 . 0 0 "[ . 1 . 2]" 1
39 1 14 ARG HA 1 14 ARG QD . . 4.430 3.926 2.666 4.280 . 0 0 "[ . 1 . 2]" 1
40 1 14 ARG HA 1 14 ARG HG2 . . 3.970 3.026 2.540 3.809 . 0 0 "[ . 1 . 2]" 1
41 1 14 ARG HA 1 14 ARG HG3 . . 3.970 3.037 2.567 4.143 0.173 10 0 "[ . 1 . 2]" 1
42 1 14 ARG QB 1 14 ARG QD . . 3.430 2.268 2.076 2.417 . 0 0 "[ . 1 . 2]" 1
43 1 14 ARG QB 1 15 PHE QD . . 3.910 2.657 2.064 3.587 . 0 0 "[ . 1 . 2]" 1
44 1 14 ARG QB 1 15 PHE QE . . 4.410 3.727 2.959 4.600 0.190 10 0 "[ . 1 . 2]" 1
45 1 14 ARG QD 1 15 PHE QE . . 3.960 3.155 2.453 4.025 0.065 16 0 "[ . 1 . 2]" 1
46 1 14 ARG QG 1 15 PHE QD . . 4.050 3.326 1.791 4.161 0.111 8 0 "[ . 1 . 2]" 1
47 1 15 PHE H 1 15 PHE QD . . 5.340 3.012 2.206 3.297 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE H 1 15 PHE QE . . 5.500 4.849 3.868 5.219 . 0 0 "[ . 1 . 2]" 1
49 1 15 PHE H 1 16 PHE H . . 5.410 4.267 4.021 4.417 . 0 0 "[ . 1 . 2]" 1
50 1 15 PHE HA 1 16 PHE H . . 3.440 2.304 2.127 2.514 . 0 0 "[ . 1 . 2]" 1
51 1 15 PHE HA 1 16 PHE QD . . 4.160 3.844 3.396 4.207 0.047 19 0 "[ . 1 . 2]" 1
52 1 15 PHE QB 1 16 PHE H . . 4.020 2.894 2.429 3.246 . 0 0 "[ . 1 . 2]" 1
53 1 15 PHE QD 1 16 PHE H . . 4.250 4.044 3.605 4.329 0.079 8 0 "[ . 1 . 2]" 1
54 1 16 PHE H 1 16 PHE HB3 . . 3.890 3.149 2.867 3.388 . 0 0 "[ . 1 . 2]" 1
55 1 16 PHE H 1 16 PHE QD . . 4.220 2.832 2.408 3.169 . 0 0 "[ . 1 . 2]" 1
56 1 16 PHE H 2 21 GLY QA . . 5.500 3.694 2.378 5.431 . 0 0 "[ . 1 . 2]" 1
57 1 16 PHE HA 1 16 PHE QD . . 3.830 3.722 3.671 3.760 . 0 0 "[ . 1 . 2]" 1
58 1 16 PHE HB2 1 17 GLU H . . 4.540 2.900 2.642 3.225 . 0 0 "[ . 1 . 2]" 1
59 1 16 PHE HB2 1 52 CYS HB2 . . 5.500 4.815 3.526 5.569 0.069 4 0 "[ . 1 . 2]" 1
60 1 16 PHE HB2 1 54 ASP H . . 4.610 3.638 3.063 4.129 . 0 0 "[ . 1 . 2]" 1
61 1 16 PHE HB2 1 54 ASP HA . . 5.130 3.521 2.804 4.271 . 0 0 "[ . 1 . 2]" 1
62 1 16 PHE HB3 1 17 GLU H . . 4.630 3.979 3.677 4.274 . 0 0 "[ . 1 . 2]" 1
63 1 16 PHE HB3 1 54 ASP HA . . 5.310 4.620 4.115 5.322 0.012 11 0 "[ . 1 . 2]" 1
64 1 16 PHE QD 1 17 GLU H . . 5.270 3.779 3.438 4.250 . 0 0 "[ . 1 . 2]" 1
65 1 16 PHE QD 1 18 SER QB . . 4.270 3.642 2.156 4.342 0.072 11 0 "[ . 1 . 2]" 1
66 1 16 PHE QD 1 52 CYS HB3 . . 5.500 5.052 4.430 5.572 0.072 16 0 "[ . 1 . 2]" 1
67 1 16 PHE QD 1 53 ILE HA . . 4.490 4.381 4.076 4.598 0.108 19 0 "[ . 1 . 2]" 1
68 1 16 PHE QD 1 54 ASP H . . 5.500 3.270 2.948 3.641 . 0 0 "[ . 1 . 2]" 1
69 1 16 PHE QD 1 54 ASP QB . . 4.080 2.050 1.820 2.603 . 0 0 "[ . 1 . 2]" 1
70 1 16 PHE QD 1 55 PRO QD . . 4.570 4.435 3.871 4.693 0.123 3 0 "[ . 1 . 2]" 1
71 1 16 PHE QE 1 18 SER HA . . 4.420 4.328 3.866 4.528 0.108 8 0 "[ . 1 . 2]" 1
72 1 17 GLU H 1 17 GLU HB2 . . 4.180 2.416 2.095 2.987 . 0 0 "[ . 1 . 2]" 1
73 1 17 GLU H 1 17 GLU HG2 . . 4.750 3.363 2.075 4.755 0.005 8 0 "[ . 1 . 2]" 1
74 1 17 GLU H 1 17 GLU HG3 . . 4.750 3.956 3.462 4.665 . 0 0 "[ . 1 . 2]" 1
75 1 17 GLU H 1 20 VAL QG . . 4.610 4.259 3.445 4.838 0.228 11 0 "[ . 1 . 2]" 1
76 1 17 GLU H 1 53 ILE HA . . 4.410 3.118 2.487 3.782 . 0 0 "[ . 1 . 2]" 1
77 1 17 GLU H 1 53 ILE MD . . 5.070 3.727 3.257 4.352 . 0 0 "[ . 1 . 2]" 1
78 1 17 GLU H 1 54 ASP H . . 5.030 4.115 3.342 4.851 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLU HB2 1 20 VAL QG . . 3.990 2.717 2.260 3.751 . 0 0 "[ . 1 . 2]" 1
80 1 17 GLU HB3 1 20 VAL QG . . 3.290 2.229 1.828 3.038 . 0 0 "[ . 1 . 2]" 1
81 1 17 GLU HB3 1 53 ILE MG . . 4.830 4.843 4.032 4.947 0.117 16 0 "[ . 1 . 2]" 1
82 1 17 GLU HG2 1 20 VAL QG . . 3.710 3.197 1.871 3.911 0.201 20 0 "[ . 1 . 2]" 1
83 1 17 GLU HG3 1 20 VAL QG . . 3.710 3.108 2.161 3.795 0.085 3 0 "[ . 1 . 2]" 1
84 1 18 SER HA 1 54 ASP H . . 5.210 3.140 2.271 3.790 . 0 0 "[ . 1 . 2]" 1
85 1 18 SER HA 1 54 ASP HB2 . . 5.500 3.068 1.870 4.343 . 0 0 "[ . 1 . 2]" 1
86 1 18 SER HA 1 54 ASP QB . . 4.840 2.597 1.816 3.563 . 0 0 "[ . 1 . 2]" 1
87 1 18 SER HA 1 54 ASP HB3 . . 5.500 2.869 2.124 3.861 . 0 0 "[ . 1 . 2]" 1
88 1 18 SER HA 1 57 LEU MD1 . . 4.730 2.867 2.081 4.118 . 0 0 "[ . 1 . 2]" 1
89 1 18 SER HA 1 57 LEU MD2 . . 4.530 2.954 2.115 3.810 . 0 0 "[ . 1 . 2]" 1
90 1 18 SER QB 1 19 HIS HD2 . . 4.050 3.540 2.465 4.311 0.261 9 0 "[ . 1 . 2]" 1
91 1 18 SER QB 1 54 ASP H . . 5.270 4.633 3.682 5.298 0.028 4 0 "[ . 1 . 2]" 1
92 1 18 SER QB 1 54 ASP QB . . 4.720 3.112 2.117 4.062 . 0 0 "[ . 1 . 2]" 1
93 1 18 SER QB 1 57 LEU MD2 . . 4.140 3.251 2.075 4.005 . 0 0 "[ . 1 . 2]" 1
94 1 19 HIS HA 1 19 HIS HD2 . . 4.200 3.100 2.257 4.287 0.087 11 0 "[ . 1 . 2]" 1
95 1 19 HIS QB 1 19 HIS HD2 . . 3.370 3.021 2.715 3.301 . 0 0 "[ . 1 . 2]" 1
96 1 19 HIS QB 1 20 VAL H . . 4.740 3.456 1.924 3.954 . 0 0 "[ . 1 . 2]" 1
97 1 19 HIS HD2 1 57 LEU MD2 . . 4.460 3.341 1.871 4.585 0.125 8 0 "[ . 1 . 2]" 1
98 1 20 VAL H 1 20 VAL HB . . 3.690 2.639 2.231 3.645 . 0 0 "[ . 1 . 2]" 1
99 1 20 VAL H 1 20 VAL QG . . 3.610 2.530 1.959 3.119 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL H 2 23 TYR HB3 . . 5.500 4.607 2.644 5.585 0.085 19 0 "[ . 1 . 2]" 1
101 1 20 VAL HA 1 21 ALA MB . . 5.110 3.961 3.756 4.096 . 0 0 "[ . 1 . 2]" 1
102 1 20 VAL HB 1 53 ILE MG . . 3.630 3.494 3.048 3.757 0.127 15 0 "[ . 1 . 2]" 1
103 1 20 VAL HB 1 57 LEU MD1 . . 4.390 3.738 3.408 4.008 . 0 0 "[ . 1 . 2]" 1
104 1 20 VAL HB 1 59 TRP HZ2 . . 4.910 3.317 2.126 4.671 . 0 0 "[ . 1 . 2]" 1
105 1 20 VAL HB 2 23 TYR HB3 . . 5.500 5.129 3.259 5.686 0.186 8 0 "[ . 1 . 2]" 1
106 1 20 VAL HB 2 23 TYR QD . . 5.500 4.769 3.573 5.345 . 0 0 "[ . 1 . 2]" 1
107 1 20 VAL QG 1 21 ALA H . . 4.180 2.201 2.061 2.445 . 0 0 "[ . 1 . 2]" 1
108 1 20 VAL QG 1 24 ASN HB2 . . 4.750 4.750 4.618 4.836 0.086 14 0 "[ . 1 . 2]" 1
109 1 20 VAL QG 1 24 ASN HB3 . . 4.160 3.527 3.307 3.756 . 0 0 "[ . 1 . 2]" 1
110 1 20 VAL QG 1 24 ASN QD . . 4.710 3.518 3.195 4.000 . 0 0 "[ . 1 . 2]" 1
111 1 20 VAL QG 1 25 VAL H . . 5.500 4.795 4.344 5.159 . 0 0 "[ . 1 . 2]" 1
112 1 20 VAL QG 1 54 ASP H . . 5.180 4.585 3.666 5.227 0.047 14 0 "[ . 1 . 2]" 1
113 1 20 VAL QG 1 59 TRP HE1 . . 4.880 3.784 2.351 4.555 . 0 0 "[ . 1 . 2]" 1
114 1 20 VAL QG 1 59 TRP HH2 . . 3.790 3.614 3.228 3.856 0.066 5 0 "[ . 1 . 2]" 1
115 1 20 VAL QG 1 59 TRP HZ2 . . 3.150 2.557 1.787 3.185 0.035 9 0 "[ . 1 . 2]" 1
116 1 20 VAL QG 2 23 TYR HB3 . . 5.500 3.609 2.625 4.666 . 0 0 "[ . 1 . 2]" 1
117 1 20 VAL QG 2 23 TYR QD . . 3.100 2.733 2.329 3.197 0.097 8 0 "[ . 1 . 2]" 1
118 1 20 VAL QG 2 23 TYR QE . . 3.520 2.721 2.194 3.288 . 0 0 "[ . 1 . 2]" 1
119 1 21 ALA H 1 24 ASN HB2 . . 5.050 4.513 4.275 4.768 . 0 0 "[ . 1 . 2]" 1
120 1 21 ALA H 1 24 ASN HB3 . . 5.480 3.629 3.275 4.149 . 0 0 "[ . 1 . 2]" 1
121 1 21 ALA H 1 24 ASN QD . . 5.060 4.004 3.293 4.955 . 0 0 "[ . 1 . 2]" 1
122 1 21 ALA H 1 25 VAL QG . . 5.440 5.191 4.632 5.504 0.064 1 0 "[ . 1 . 2]" 1
123 1 21 ALA H 1 51 VAL MG2 . . 5.070 5.104 4.932 5.229 0.159 4 0 "[ . 1 . 2]" 1
124 1 21 ALA HA 1 59 TRP HE1 . . 4.840 4.725 3.259 4.953 0.113 3 0 "[ . 1 . 2]" 1
125 1 21 ALA MB 1 22 ARG H . . 4.260 3.074 2.947 3.247 . 0 0 "[ . 1 . 2]" 1
126 1 21 ALA MB 1 23 ALA H . . 4.310 2.699 2.506 2.934 . 0 0 "[ . 1 . 2]" 1
127 1 21 ALA MB 1 24 ASN HB2 . . 4.400 2.417 2.016 3.111 . 0 0 "[ . 1 . 2]" 1
128 1 21 ALA MB 1 24 ASN HB3 . . 4.240 2.474 2.097 3.508 . 0 0 "[ . 1 . 2]" 1
129 1 21 ALA MB 1 25 VAL QG . . 4.610 4.467 4.121 4.708 0.098 1 0 "[ . 1 . 2]" 1
130 1 22 ARG HA 1 22 ARG QD . . 5.040 3.599 3.326 4.202 . 0 0 "[ . 1 . 2]" 1
131 1 22 ARG HA 1 25 VAL H . . 5.020 3.627 2.949 4.368 . 0 0 "[ . 1 . 2]" 1
132 1 22 ARG HA 1 25 VAL MG1 . . 5.350 2.004 1.744 2.335 . 0 0 "[ . 1 . 2]" 1
133 1 22 ARG HA 1 25 VAL QG . . 4.550 2.001 1.742 2.330 . 0 0 "[ . 1 . 2]" 1
134 1 22 ARG HA 1 25 VAL MG2 . . 5.350 4.370 4.179 4.708 . 0 0 "[ . 1 . 2]" 1
135 1 22 ARG HA 1 59 TRP HH2 . . 4.640 3.645 3.331 4.355 . 0 0 "[ . 1 . 2]" 1
136 1 22 ARG HA 1 59 TRP HZ2 . . 4.330 3.994 3.365 4.315 . 0 0 "[ . 1 . 2]" 1
137 1 22 ARG QB 1 59 TRP HH2 . . 4.300 4.197 2.828 4.457 0.157 4 0 "[ . 1 . 2]" 1
138 1 22 ARG HB2 1 23 ALA H . . 5.500 4.113 4.014 4.236 . 0 0 "[ . 1 . 2]" 1
139 1 22 ARG HB3 1 23 ALA H . . 5.500 3.263 2.820 4.581 . 0 0 "[ . 1 . 2]" 1
140 1 22 ARG QD 1 25 VAL H . . 5.500 5.245 4.909 5.862 0.362 11 0 "[ . 1 . 2]" 1
141 1 22 ARG QD 1 59 TRP HB2 . . 5.130 4.257 3.142 4.615 . 0 0 "[ . 1 . 2]" 1
142 1 22 ARG QD 1 59 TRP HB3 . . 5.140 5.071 4.083 5.331 0.191 17 0 "[ . 1 . 2]" 1
143 1 22 ARG QD 1 63 TYR QE . . 5.500 5.449 4.662 5.662 0.162 7 0 "[ . 1 . 2]" 1
144 1 22 ARG QG 1 59 TRP HE3 . . 5.340 2.767 2.189 4.265 . 0 0 "[ . 1 . 2]" 1
145 1 22 ARG QG 1 63 TYR QE . . 5.340 5.343 4.860 5.485 0.145 12 0 "[ . 1 . 2]" 1
146 1 23 ALA H 1 23 ALA MB . . 3.470 2.262 2.227 2.284 . 0 0 "[ . 1 . 2]" 1
147 1 23 ALA H 1 24 ASN H . . 4.300 2.543 2.445 2.675 . 0 0 "[ . 1 . 2]" 1
148 1 23 ALA HA 1 25 VAL H . . 4.950 3.900 3.719 4.064 . 0 0 "[ . 1 . 2]" 1
149 1 23 ALA MB 1 24 ASN H . . 3.770 3.181 3.026 3.252 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA MB 1 24 ASN HA . . 5.120 4.028 3.938 4.093 . 0 0 "[ . 1 . 2]" 1
151 1 23 ALA MB 1 25 VAL H . . 5.440 4.566 4.468 4.663 . 0 0 "[ . 1 . 2]" 1
152 1 24 ASN H 1 24 ASN HB2 . . 3.960 2.840 2.728 2.959 . 0 0 "[ . 1 . 2]" 1
153 1 24 ASN H 1 24 ASN HB3 . . 3.850 2.589 2.498 2.714 . 0 0 "[ . 1 . 2]" 1
154 1 24 ASN H 1 25 VAL H . . 3.650 2.272 2.114 2.534 . 0 0 "[ . 1 . 2]" 1
155 1 24 ASN HA 1 45 LYS QB . . 4.550 3.357 2.660 4.634 0.084 18 0 "[ . 1 . 2]" 1
156 1 24 ASN HA 1 45 LYS HD3 . . 4.060 2.299 1.901 2.625 . 0 0 "[ . 1 . 2]" 1
157 1 24 ASN HA 1 45 LYS HG2 . . 5.080 4.858 4.674 5.110 0.030 15 0 "[ . 1 . 2]" 1
158 1 24 ASN HA 1 45 LYS HG3 . . 5.170 3.660 3.256 4.775 . 0 0 "[ . 1 . 2]" 1
159 1 24 ASN HB2 1 25 VAL H . . 5.060 4.376 4.214 4.535 . 0 0 "[ . 1 . 2]" 1
160 1 24 ASN HB2 1 25 VAL QG . . 5.320 5.058 4.767 5.369 0.049 10 0 "[ . 1 . 2]" 1
161 1 24 ASN HB2 1 44 LEU QD . . 4.650 4.143 3.743 4.691 0.041 7 0 "[ . 1 . 2]" 1
162 1 24 ASN HB2 1 45 LYS HD3 . . 5.330 4.775 4.294 5.117 . 0 0 "[ . 1 . 2]" 1
163 1 24 ASN HB3 1 25 VAL H . . 4.940 3.627 3.319 3.981 . 0 0 "[ . 1 . 2]" 1
164 1 24 ASN HB3 1 44 LEU QD . . 4.730 3.030 2.407 4.086 . 0 0 "[ . 1 . 2]" 1
165 1 24 ASN QD 1 44 LEU HB2 . . 5.170 4.288 3.152 5.168 . 0 0 "[ . 1 . 2]" 1
166 1 24 ASN QD 1 44 LEU QD . . 4.850 1.978 1.597 2.372 . 0 0 "[ . 1 . 2]" 1
167 1 25 VAL QG 1 42 ALA HA . . 5.130 3.339 2.877 3.707 . 0 0 "[ . 1 . 2]" 1
168 1 25 VAL QG 1 43 ARG H . . 4.350 3.060 2.576 3.741 . 0 0 "[ . 1 . 2]" 1
169 1 25 VAL QG 1 44 LEU H . . 4.830 4.827 4.611 4.958 0.128 16 0 "[ . 1 . 2]" 1
170 1 25 VAL QG 1 59 TRP HH2 . . 3.410 2.505 2.222 3.050 . 0 0 "[ . 1 . 2]" 1
171 1 25 VAL QG 4 9 TYR HB2 . . 3.410 3.445 3.198 3.640 0.230 10 0 "[ . 1 . 2]" 1
172 1 25 VAL QG 4 9 TYR QE . . 2.700 2.704 2.441 2.783 0.083 3 0 "[ . 1 . 2]" 1
173 1 25 VAL MG1 4 9 TYR HB3 . . 2.980 2.253 1.894 3.030 0.050 4 0 "[ . 1 . 2]" 1
174 1 25 VAL MG1 4 9 TYR QD . . 2.880 1.988 1.719 2.789 . 0 0 "[ . 1 . 2]" 1
175 1 25 VAL MG1 4 9 TYR QE . . 3.170 3.101 2.509 3.330 0.160 2 0 "[ . 1 . 2]" 1
176 1 25 VAL MG2 4 9 TYR HB3 . . 2.980 3.124 2.976 3.268 0.288 16 0 "[ . 1 . 2]" 1
177 1 25 VAL MG2 4 9 TYR QD . . 2.880 2.586 2.031 2.922 0.042 4 0 "[ . 1 . 2]" 1
178 1 25 VAL MG2 4 9 TYR QE . . 3.170 3.028 2.875 3.340 0.170 4 0 "[ . 1 . 2]" 1
179 1 26 LYS H 1 26 LYS QD . . 4.520 4.445 3.741 4.591 0.071 10 0 "[ . 1 . 2]" 1
180 1 26 LYS H 1 26 LYS HG2 . . 4.810 3.700 3.474 4.521 . 0 0 "[ . 1 . 2]" 1
181 1 26 LYS H 1 26 LYS QG . . 3.960 2.620 2.414 3.856 . 0 0 "[ . 1 . 2]" 1
182 1 26 LYS H 1 26 LYS HG3 . . 4.810 2.687 2.447 4.181 . 0 0 "[ . 1 . 2]" 1
183 1 26 LYS H 1 27 HIS H . . 3.930 2.263 2.126 2.370 . 0 0 "[ . 1 . 2]" 1
184 1 26 LYS H 1 43 ARG H . . 5.420 3.960 3.620 4.321 . 0 0 "[ . 1 . 2]" 1
185 1 26 LYS H 1 43 ARG O . . 2.000 1.908 1.763 2.045 0.045 8 0 "[ . 1 . 2]" 1
186 1 26 LYS H 1 45 LYS HD2 . . 5.500 5.141 4.560 5.584 0.084 2 0 "[ . 1 . 2]" 1
187 1 26 LYS H 1 45 LYS HG3 . . 5.500 3.543 2.940 4.228 . 0 0 "[ . 1 . 2]" 1
188 1 26 LYS HA 1 26 LYS QD . . 4.620 3.955 3.864 4.206 . 0 0 "[ . 1 . 2]" 1
189 1 26 LYS HA 1 26 LYS QG . . 3.710 2.334 2.150 2.419 . 0 0 "[ . 1 . 2]" 1
190 1 26 LYS HA 1 45 LYS HD2 . . 4.870 3.939 3.073 4.622 . 0 0 "[ . 1 . 2]" 1
191 1 26 LYS HA 1 45 LYS HD3 . . 5.200 5.189 4.576 5.350 0.150 5 0 "[ . 1 . 2]" 1
192 1 26 LYS HA 1 45 LYS HG2 . . 4.960 3.457 2.255 4.985 0.025 18 0 "[ . 1 . 2]" 1
193 1 26 LYS HA 1 45 LYS HG3 . . 5.020 3.577 3.111 3.945 . 0 0 "[ . 1 . 2]" 1
194 1 26 LYS QB 1 26 LYS QD . . 2.350 2.311 2.197 2.356 0.006 12 0 "[ . 1 . 2]" 1
195 1 26 LYS QB 1 26 LYS QE . . 2.790 2.049 1.919 2.181 . 0 0 "[ . 1 . 2]" 1
196 1 26 LYS QB 1 27 HIS HD2 . . 4.290 4.248 3.740 4.437 0.147 19 0 "[ . 1 . 2]" 1
197 1 26 LYS QB 1 27 HIS HE1 . . 3.860 3.888 3.555 3.997 0.137 12 0 "[ . 1 . 2]" 1
198 1 26 LYS QB 1 43 ARG H . . 4.940 4.380 3.848 4.765 . 0 0 "[ . 1 . 2]" 1
199 1 26 LYS QB 1 45 LYS HA . . 5.340 4.059 1.964 4.821 . 0 0 "[ . 1 . 2]" 1
200 1 26 LYS HB2 1 26 LYS QE . . 3.520 2.204 2.048 2.809 . 0 0 "[ . 1 . 2]" 1
201 1 26 LYS HB2 1 27 HIS H . . 4.150 2.829 2.348 3.549 . 0 0 "[ . 1 . 2]" 1
202 1 26 LYS HB3 1 26 LYS QE . . 3.520 2.671 1.981 2.970 . 0 0 "[ . 1 . 2]" 1
203 1 26 LYS HB3 1 27 HIS H . . 4.150 3.705 2.656 3.962 . 0 0 "[ . 1 . 2]" 1
204 1 26 LYS QE 1 43 ARG H . . 5.500 5.137 4.321 5.618 0.118 15 0 "[ . 1 . 2]" 1
205 1 26 LYS QE 1 45 LYS H . . 5.420 4.943 4.175 5.599 0.179 15 0 "[ . 1 . 2]" 1
206 1 26 LYS QE 1 45 LYS HA . . 4.670 3.267 2.293 3.885 . 0 0 "[ . 1 . 2]" 1
207 1 26 LYS QG 1 27 HIS H . . 4.040 4.068 3.934 4.117 0.077 3 0 "[ . 1 . 2]" 1
208 1 26 LYS QG 1 45 LYS H . . 4.140 3.444 2.645 4.265 0.125 10 0 "[ . 1 . 2]" 1
209 1 26 LYS QG 1 45 LYS HA . . 3.560 2.187 1.792 2.888 . 0 0 "[ . 1 . 2]" 1
210 1 26 LYS N 1 43 ARG O . . 3.000 2.869 2.742 3.027 0.027 8 0 "[ . 1 . 2]" 1
211 1 27 HIS H 1 42 ALA HA . . 5.060 4.377 4.052 4.696 . 0 0 "[ . 1 . 2]" 1
212 1 27 HIS H 1 42 ALA MB . . 5.320 3.902 3.524 4.213 . 0 0 "[ . 1 . 2]" 1
213 1 27 HIS H 1 43 ARG H . . 4.500 3.324 3.068 3.709 . 0 0 "[ . 1 . 2]" 1
214 1 27 HIS H 1 43 ARG QB . . 5.500 4.044 3.475 4.741 . 0 0 "[ . 1 . 2]" 1
215 1 27 HIS HA 3 31 LEU HA . . 4.400 3.403 2.788 4.050 . 0 0 "[ . 1 . 2]" 1
216 1 27 HIS HA 3 31 LEU QD . . 5.440 4.682 3.675 5.516 0.076 1 0 "[ . 1 . 2]" 1
217 1 27 HIS HB2 1 28 LEU H . . 4.880 2.201 2.008 2.408 . 0 0 "[ . 1 . 2]" 1
218 1 27 HIS HB2 3 31 LEU QD . . 4.320 3.411 2.279 4.008 . 0 0 "[ . 1 . 2]" 1
219 1 27 HIS HB3 1 28 LEU H . . 4.420 3.552 3.356 3.653 . 0 0 "[ . 1 . 2]" 1
220 1 27 HIS HB3 3 31 LEU QD . . 3.940 3.063 1.864 4.039 0.099 6 0 "[ . 1 . 2]" 1
221 1 27 HIS HD2 3 29 LYS QB . . 5.200 5.299 5.221 5.371 0.171 1 0 "[ . 1 . 2]" 1
222 1 27 HIS HD2 3 29 LYS HD2 . . 5.500 3.137 2.483 3.855 . 0 0 "[ . 1 . 2]" 1
223 1 27 HIS HD2 3 29 LYS HD3 . . 5.500 4.797 4.190 5.380 . 0 0 "[ . 1 . 2]" 1
224 1 27 HIS HD2 3 29 LYS QE . . 5.340 3.622 2.735 4.874 . 0 0 "[ . 1 . 2]" 1
225 1 27 HIS HD2 3 29 LYS HG2 . . 3.890 3.738 3.541 3.916 0.026 6 0 "[ . 1 . 2]" 1
226 1 27 HIS HD2 3 29 LYS HG3 . . 4.920 4.229 3.713 4.988 0.068 6 0 "[ . 1 . 2]" 1
227 1 27 HIS HD2 3 31 LEU QD . . 4.120 2.473 1.747 3.901 . 0 0 "[ . 1 . 2]" 1
228 1 27 HIS HE1 1 43 ARG QB . . 3.720 2.290 1.872 2.885 . 0 0 "[ . 1 . 2]" 1
229 1 27 HIS HE1 1 43 ARG QD . . 3.940 2.816 1.959 3.980 0.040 3 0 "[ . 1 . 2]" 1
230 1 27 HIS HE1 1 43 ARG QG . . 4.030 3.469 2.592 4.093 0.063 11 0 "[ . 1 . 2]" 1
231 1 27 HIS HE1 3 29 LYS HD2 . . 4.260 3.745 2.839 4.305 0.045 11 0 "[ . 1 . 2]" 1
232 1 27 HIS HE1 3 29 LYS QE . . 4.400 3.973 3.227 4.547 0.147 18 0 "[ . 1 . 2]" 1
233 1 28 LEU H 1 28 LEU MD1 . . 5.270 3.567 2.536 4.098 . 0 0 "[ . 1 . 2]" 1
234 1 28 LEU H 1 28 LEU QD . . 4.490 3.163 2.517 3.566 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU H 1 28 LEU MD2 . . 5.270 3.878 3.579 4.318 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU H 1 28 LEU HG . . 4.680 3.503 2.799 4.618 . 0 0 "[ . 1 . 2]" 1
237 1 28 LEU H 3 30 ILE H . . 5.130 3.149 2.933 3.446 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU H 3 30 ILE HB . . 5.340 3.501 3.196 3.822 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU H 3 30 ILE O . . 2.000 1.974 1.792 2.117 0.117 4 0 "[ . 1 . 2]" 1
240 1 28 LEU HA 1 28 LEU QD . . 3.360 2.269 2.023 2.880 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU HA 1 43 ARG H . . 5.500 4.012 3.290 4.609 . 0 0 "[ . 1 . 2]" 1
242 1 28 LEU HB2 1 63 TYR QE . . 4.100 4.053 3.719 4.186 0.086 17 0 "[ . 1 . 2]" 1
243 1 28 LEU HB2 3 30 ILE H . . 5.150 3.287 3.038 3.878 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU HB2 3 30 ILE HB . . 5.000 2.608 2.372 3.131 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU HB3 1 29 LYS H . . 5.450 2.938 2.639 3.513 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU HB3 1 41 VAL H . . 5.370 4.527 4.105 5.462 0.092 18 0 "[ . 1 . 2]" 1
247 1 28 LEU HB3 3 30 ILE H . . 4.860 4.139 3.084 4.421 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU HB3 3 30 ILE HB . . 4.970 4.014 2.898 4.294 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU QD 1 29 LYS H . . 4.240 3.673 3.334 4.157 . 0 0 "[ . 1 . 2]" 1
250 1 28 LEU QD 1 42 ALA HA . . 3.990 3.166 2.546 4.007 0.017 16 0 "[ . 1 . 2]" 1
251 1 28 LEU QD 1 42 ALA MB . . 2.890 2.257 1.884 2.922 0.032 5 0 "[ . 1 . 2]" 1
252 1 28 LEU QD 1 59 TRP HH2 . . 3.760 2.692 2.096 3.307 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU QD 1 59 TRP HZ2 . . 5.040 4.419 3.787 4.981 . 0 0 "[ . 1 . 2]" 1
254 1 28 LEU QD 1 59 TRP HZ3 . . 3.920 2.544 2.094 2.940 . 0 0 "[ . 1 . 2]" 1
255 1 28 LEU QD 1 60 ILE QG . . 3.360 3.536 3.453 3.634 0.274 16 0 "[ . 1 . 2]" 1
256 1 28 LEU QD 1 63 TYR HB2 . . 4.550 4.214 3.948 4.509 . 0 0 "[ . 1 . 2]" 1
257 1 28 LEU QD 1 63 TYR HB3 . . 5.130 3.646 3.379 3.865 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU QD 1 63 TYR QD . . 3.490 2.924 2.526 3.240 . 0 0 "[ . 1 . 2]" 1
259 1 28 LEU QD 1 63 TYR QE . . 3.820 3.070 2.499 3.469 . 0 0 "[ . 1 . 2]" 1
260 1 28 LEU QD 1 64 LEU H . . 5.070 5.046 4.836 5.137 0.067 18 0 "[ . 1 . 2]" 1
261 1 28 LEU QD 3 30 ILE HB . . 4.420 3.319 3.049 3.552 . 0 0 "[ . 1 . 2]" 1
262 1 28 LEU QD 3 30 ILE MD . . 3.240 3.241 3.078 3.373 0.133 16 0 "[ . 1 . 2]" 1
263 1 28 LEU QD 3 30 ILE QG . . 4.820 4.258 4.109 4.363 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU QD 3 30 ILE MG . . 4.030 3.833 3.633 4.054 0.024 1 0 "[ . 1 . 2]" 1
265 1 28 LEU MD1 1 59 TRP HH2 . . 4.350 3.584 2.495 4.365 0.015 14 0 "[ . 1 . 2]" 1
266 1 28 LEU MD1 1 59 TRP HZ3 . . 4.510 2.809 2.136 3.461 . 0 0 "[ . 1 . 2]" 1
267 1 28 LEU MD1 3 30 ILE H . . 5.400 4.932 4.693 5.427 0.027 18 0 "[ . 1 . 2]" 1
268 1 28 LEU MD2 1 59 TRP HH2 . . 4.350 3.156 2.109 4.358 0.008 16 0 "[ . 1 . 2]" 1
269 1 28 LEU MD2 1 59 TRP HZ3 . . 4.510 3.062 2.305 3.678 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU MD2 3 30 ILE H . . 5.400 5.295 4.750 5.525 0.125 6 0 "[ . 1 . 2]" 1
271 1 28 LEU N 3 30 ILE O . . 3.000 2.948 2.774 3.106 0.106 4 0 "[ . 1 . 2]" 1
272 1 28 LEU O 3 30 ILE H . . 2.000 1.807 1.686 1.969 . 0 0 "[ . 1 . 2]" 1
273 1 28 LEU O 3 30 ILE N . . 3.000 2.718 2.607 2.869 . 0 0 "[ . 1 . 2]" 1
274 1 29 LYS H 1 29 LYS HG2 . . 5.250 4.535 4.322 4.793 . 0 0 "[ . 1 . 2]" 1
275 1 29 LYS H 1 29 LYS HG3 . . 4.910 4.533 4.285 4.676 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS H 1 30 ILE H . . 5.480 4.219 4.130 4.328 . 0 0 "[ . 1 . 2]" 1
277 1 29 LYS H 1 40 ILE MD . . 5.500 5.452 5.252 5.547 0.047 16 0 "[ . 1 . 2]" 1
278 1 29 LYS H 1 40 ILE MG . . 4.560 2.908 2.682 3.094 . 0 0 "[ . 1 . 2]" 1
279 1 29 LYS H 1 41 VAL H . . 4.580 2.767 2.479 3.111 . 0 0 "[ . 1 . 2]" 1
280 1 29 LYS H 1 41 VAL MG1 . . 5.280 4.387 3.298 4.766 . 0 0 "[ . 1 . 2]" 1
281 1 29 LYS H 1 41 VAL QG . . 4.620 3.996 3.232 4.319 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS H 1 41 VAL MG2 . . 5.280 4.645 4.391 5.076 . 0 0 "[ . 1 . 2]" 1
283 1 29 LYS H 1 41 VAL O . . 2.000 1.846 1.738 2.005 0.005 7 0 "[ . 1 . 2]" 1
284 1 29 LYS H 1 42 ALA HA . . 4.480 3.437 2.900 3.687 . 0 0 "[ . 1 . 2]" 1
285 1 29 LYS HA 1 29 LYS HD2 . . 4.880 4.327 3.695 4.784 . 0 0 "[ . 1 . 2]" 1
286 1 29 LYS HA 1 29 LYS HD3 . . 4.660 3.398 2.243 4.142 . 0 0 "[ . 1 . 2]" 1
287 1 29 LYS HA 1 29 LYS HE2 . . 5.500 5.077 3.598 5.736 0.236 5 0 "[ . 1 . 2]" 1
288 1 29 LYS HA 1 29 LYS HE3 . . 5.500 4.875 3.029 5.829 0.329 1 0 "[ . 1 . 2]" 1
289 1 29 LYS QB 1 29 LYS HE2 . . 4.470 3.191 1.957 3.519 . 0 0 "[ . 1 . 2]" 1
290 1 29 LYS QB 1 29 LYS HE3 . . 4.470 2.898 1.962 3.646 . 0 0 "[ . 1 . 2]" 1
291 1 29 LYS QB 1 30 ILE H . . 4.490 3.829 3.762 3.902 . 0 0 "[ . 1 . 2]" 1
292 1 29 LYS QB 1 41 VAL H . . 4.860 2.905 2.059 3.494 . 0 0 "[ . 1 . 2]" 1
293 1 29 LYS QB 3 27 HIS HD2 . . 5.200 5.259 4.546 5.334 0.134 16 0 "[ . 1 . 2]" 1
294 1 29 LYS HD2 1 29 LYS HG2 . . 2.580 2.466 2.388 2.588 0.008 16 0 "[ . 1 . 2]" 1
295 1 29 LYS HD2 3 27 HIS HD2 . . 5.500 2.939 2.523 3.641 . 0 0 "[ . 1 . 2]" 1
296 1 29 LYS HD2 3 27 HIS HE1 . . 4.260 3.701 3.003 4.283 0.023 4 0 "[ . 1 . 2]" 1
297 1 29 LYS HD3 3 27 HIS HD2 . . 5.500 4.612 3.895 5.293 . 0 0 "[ . 1 . 2]" 1
298 1 29 LYS QE 1 29 LYS HG2 . . 3.670 2.632 2.187 3.034 . 0 0 "[ . 1 . 2]" 1
299 1 29 LYS QE 1 31 LEU QD . . 3.990 3.699 2.054 4.168 0.178 20 0 "[ . 1 . 2]" 1
300 1 29 LYS QE 3 27 HIS HD2 . . 5.340 3.712 2.480 4.980 . 0 0 "[ . 1 . 2]" 1
301 1 29 LYS QE 3 27 HIS HE1 . . 4.400 4.254 3.522 4.544 0.144 5 0 "[ . 1 . 2]" 1
302 1 29 LYS HE2 1 29 LYS HG2 . . 4.180 2.992 2.400 3.735 . 0 0 "[ . 1 . 2]" 1
303 1 29 LYS HE3 1 29 LYS HG2 . . 4.180 3.310 2.274 3.677 . 0 0 "[ . 1 . 2]" 1
304 1 29 LYS HG2 2 14 TYR QE . . 4.960 4.473 3.051 5.110 0.150 17 0 "[ . 1 . 2]" 1
305 1 29 LYS HG2 3 27 HIS HD2 . . 3.890 3.748 3.060 3.927 0.037 19 0 "[ . 1 . 2]" 1
306 1 29 LYS HG3 2 14 TYR QE . . 5.500 5.379 3.839 5.679 0.179 10 0 "[ . 1 . 2]" 1
307 1 29 LYS HG3 3 27 HIS HD2 . . 4.920 4.156 2.595 4.891 . 0 0 "[ . 1 . 2]" 1
308 1 29 LYS N 1 41 VAL O . . 3.000 2.725 2.654 2.845 . 0 0 "[ . 1 . 2]" 1
309 1 29 LYS O 1 41 VAL H . . 2.000 1.790 1.675 1.933 . 0 0 "[ . 1 . 2]" 1
310 1 29 LYS O 1 41 VAL N . . 3.000 2.757 2.646 2.901 . 0 0 "[ . 1 . 2]" 1
311 1 30 ILE H 1 30 ILE MD . . 4.100 3.963 3.877 4.112 0.012 16 0 "[ . 1 . 2]" 1
312 1 30 ILE H 1 30 ILE QG . . 4.380 2.512 2.431 2.677 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE H 1 30 ILE MG . . 4.360 3.871 3.798 3.922 . 0 0 "[ . 1 . 2]" 1
314 1 30 ILE H 3 28 LEU H . . 5.130 3.161 3.019 3.344 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE H 3 28 LEU HB2 . . 5.150 3.395 2.961 4.288 . 0 0 "[ . 1 . 2]" 1
316 1 30 ILE H 3 28 LEU HB3 . . 4.860 3.958 2.925 4.423 . 0 0 "[ . 1 . 2]" 1
317 1 30 ILE H 3 28 LEU MD1 . . 5.400 5.010 4.631 5.457 0.057 5 0 "[ . 1 . 2]" 1
318 1 30 ILE H 3 28 LEU MD2 . . 5.400 5.198 4.480 5.532 0.132 12 0 "[ . 1 . 2]" 1
319 1 30 ILE H 3 28 LEU O . . 2.000 1.822 1.732 1.917 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE HA 1 30 ILE MD . . 4.250 3.848 3.797 3.880 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE HA 1 30 ILE QG . . 3.980 2.506 2.434 2.558 . 0 0 "[ . 1 . 2]" 1
322 1 30 ILE HA 1 40 ILE MD . . 4.930 4.315 3.972 4.503 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE HA 1 40 ILE MG . . 4.480 3.346 2.974 3.743 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE HB 1 30 ILE MD . . 3.490 2.441 2.410 2.473 . 0 0 "[ . 1 . 2]" 1
325 1 30 ILE HB 1 31 LEU H . . 4.310 4.002 3.873 4.148 . 0 0 "[ . 1 . 2]" 1
326 1 30 ILE HB 3 28 LEU H . . 5.340 3.582 3.252 4.128 . 0 0 "[ . 1 . 2]" 1
327 1 30 ILE HB 3 28 LEU HB2 . . 5.000 2.691 2.364 3.512 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE HB 3 28 LEU HB3 . . 4.970 3.815 2.576 4.296 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE HB 3 28 LEU QD . . 4.420 3.330 2.990 3.611 . 0 0 "[ . 1 . 2]" 1
330 1 30 ILE HB 3 63 TYR QE . . 3.580 2.621 2.179 3.027 . 0 0 "[ . 1 . 2]" 1
331 1 30 ILE MD 1 30 ILE MG . . 2.900 1.837 1.796 1.892 . 0 0 "[ . 1 . 2]" 1
332 1 30 ILE MD 1 31 LEU H . . 5.250 4.984 4.797 5.190 . 0 0 "[ . 1 . 2]" 1
333 1 30 ILE MD 3 28 LEU QD . . 3.240 3.251 2.725 3.314 0.074 14 0 "[ . 1 . 2]" 1
334 1 30 ILE MD 3 63 TYR QE . . 4.830 2.906 2.629 3.266 . 0 0 "[ . 1 . 2]" 1
335 1 30 ILE MD 3 64 LEU HA . . 4.550 3.995 3.666 4.381 . 0 0 "[ . 1 . 2]" 1
336 1 30 ILE QG 1 31 LEU H . . 5.090 4.186 3.985 4.270 . 0 0 "[ . 1 . 2]" 1
337 1 30 ILE QG 3 28 LEU QD . . 4.820 4.259 3.882 4.404 . 0 0 "[ . 1 . 2]" 1
338 1 30 ILE QG 3 63 TYR QD . . 5.500 5.290 5.016 5.495 . 0 0 "[ . 1 . 2]" 1
339 1 30 ILE QG 3 63 TYR QE . . 4.120 4.111 3.821 4.199 0.079 7 0 "[ . 1 . 2]" 1
340 1 30 ILE MG 1 31 LEU H . . 4.300 2.520 2.341 2.797 . 0 0 "[ . 1 . 2]" 1
341 1 30 ILE MG 1 38 CYS HA . . 5.120 4.284 3.383 5.127 0.007 17 0 "[ . 1 . 2]" 1
342 1 30 ILE MG 1 40 ILE MD . . 3.130 3.118 2.903 3.199 0.069 12 0 "[ . 1 . 2]" 1
343 1 30 ILE MG 1 40 ILE QG . . 3.500 2.144 1.958 2.427 . 0 0 "[ . 1 . 2]" 1
344 1 30 ILE MG 3 28 LEU QD . . 4.030 3.864 3.593 4.088 0.058 18 0 "[ . 1 . 2]" 1
345 1 30 ILE MG 3 63 TYR QD . . 3.560 3.506 3.282 3.626 0.066 1 0 "[ . 1 . 2]" 1
346 1 30 ILE MG 3 63 TYR QE . . 3.320 1.873 1.782 1.994 . 0 0 "[ . 1 . 2]" 1
347 1 30 ILE N 3 28 LEU O . . 3.000 2.723 2.657 2.855 . 0 0 "[ . 1 . 2]" 1
348 1 30 ILE O 3 28 LEU H . . 2.000 2.008 1.820 2.133 0.133 6 0 "[ . 1 . 2]" 1
349 1 30 ILE O 3 28 LEU N . . 3.000 2.986 2.803 3.118 0.118 6 0 "[ . 1 . 2]" 1
350 1 31 LEU H 1 31 LEU MD1 . . 4.800 3.745 2.479 4.805 0.005 13 0 "[ . 1 . 2]" 1
351 1 31 LEU H 1 31 LEU QD . . 4.060 3.156 1.989 3.964 . 0 0 "[ . 1 . 2]" 1
352 1 31 LEU H 1 31 LEU MD2 . . 4.800 3.683 1.992 4.311 . 0 0 "[ . 1 . 2]" 1
353 1 31 LEU H 1 39 GLN H . . 4.410 3.359 2.864 3.821 . 0 0 "[ . 1 . 2]" 1
354 1 31 LEU H 1 39 GLN QB . . 5.500 3.400 2.714 3.989 . 0 0 "[ . 1 . 2]" 1
355 1 31 LEU H 1 39 GLN QG . . 5.500 4.900 4.132 5.602 0.102 19 0 "[ . 1 . 2]" 1
356 1 31 LEU HA 1 39 GLN QB . . 5.500 4.975 4.435 5.535 0.035 9 0 "[ . 1 . 2]" 1
357 1 31 LEU HA 3 27 HIS HA . . 4.400 3.555 2.969 3.979 . 0 0 "[ . 1 . 2]" 1
358 1 31 LEU QB 2 14 TYR QD . . 3.810 3.694 3.124 4.073 0.263 8 0 "[ . 1 . 2]" 1
359 1 31 LEU QB 2 14 TYR QE . . 3.440 3.355 2.785 3.616 0.176 12 0 "[ . 1 . 2]" 1
360 1 31 LEU QD 1 32 ASN H . . 5.400 3.524 2.349 4.319 . 0 0 "[ . 1 . 2]" 1
361 1 31 LEU QD 2 14 TYR HB2 . . 5.400 3.444 2.293 5.134 . 0 0 "[ . 1 . 2]" 1
362 1 31 LEU QD 2 14 TYR QE . . 2.760 2.144 1.666 2.890 0.130 19 0 "[ . 1 . 2]" 1
363 1 31 LEU QD 3 27 HIS HA . . 5.440 4.452 3.047 5.410 . 0 0 "[ . 1 . 2]" 1
364 1 31 LEU QD 3 27 HIS HB2 . . 4.320 3.198 2.006 4.078 . 0 0 "[ . 1 . 2]" 1
365 1 31 LEU QD 3 27 HIS HB3 . . 3.940 2.885 1.829 3.995 0.055 5 0 "[ . 1 . 2]" 1
366 1 31 LEU QD 3 27 HIS HD2 . . 4.120 2.555 1.796 4.227 0.107 1 0 "[ . 1 . 2]" 1
367 1 31 LEU MD1 2 14 TYR QD . . 3.150 2.750 1.951 3.224 0.074 6 0 "[ . 1 . 2]" 1
368 1 31 LEU MD1 2 14 TYR QE . . 3.200 2.832 1.734 3.262 0.062 10 0 "[ . 1 . 2]" 1
369 1 31 LEU MD2 2 14 TYR QD . . 3.150 3.053 1.910 3.484 0.334 5 0 "[ . 1 . 2]" 1
370 1 31 LEU MD2 2 14 TYR QE . . 3.200 2.386 1.702 3.278 0.078 14 0 "[ . 1 . 2]" 1
371 1 33 THR HA 1 34 PRO QD . . 3.670 2.030 1.854 2.185 . 0 0 "[ . 1 . 2]" 1
372 1 33 THR HB 1 34 PRO QD . . 4.220 2.503 2.092 3.848 . 0 0 "[ . 1 . 2]" 1
373 1 33 THR MG 1 34 PRO QD . . 4.080 3.123 2.075 4.086 0.006 20 0 "[ . 1 . 2]" 1
374 1 33 THR MG 1 36 CYS HB2 . . 5.100 3.900 1.972 5.111 0.011 18 0 "[ . 1 . 2]" 1
375 1 33 THR MG 1 36 CYS HB3 . . 4.910 4.625 3.427 5.054 0.144 1 0 "[ . 1 . 2]" 1
376 1 33 THR MG 1 39 GLN QE . . 5.340 4.487 2.586 5.387 0.047 11 0 "[ . 1 . 2]" 1
377 1 33 THR MG 2 14 TYR QD . . 3.120 3.252 2.612 3.516 0.396 15 0 "[ . 1 . 2]" 1
378 1 36 CYS HB2 1 39 GLN HE21 . . 4.820 4.040 2.791 4.919 0.099 11 0 "[ . 1 . 2]" 1
379 1 36 CYS HB2 1 39 GLN HE22 . . 4.820 4.283 2.722 4.922 0.102 18 0 "[ . 1 . 2]" 1
380 1 37 ALA MB 1 38 CYS H . . 4.220 2.130 1.833 3.623 . 0 0 "[ . 1 . 2]" 1
381 1 37 ALA MB 1 39 GLN HE21 . . 5.500 4.024 2.657 5.282 . 0 0 "[ . 1 . 2]" 1
382 1 37 ALA MB 1 39 GLN HE22 . . 5.500 3.970 2.206 5.247 . 0 0 "[ . 1 . 2]" 1
383 1 37 ALA MB 1 56 LYS QD . . 4.030 3.978 2.292 4.196 0.166 20 0 "[ . 1 . 2]" 1
384 1 38 CYS CB 3 67 CYS CB . . 3.990 3.879 3.687 4.058 0.068 14 0 "[ . 1 . 2]" 1
385 1 38 CYS CB 3 67 CYS SG . . 3.100 3.064 3.032 3.099 . 0 0 "[ . 1 . 2]" 1
386 1 38 CYS QB 1 55 PRO HB2 . . 4.780 3.159 2.080 4.565 . 0 0 "[ . 1 . 2]" 1
387 1 38 CYS HB2 1 55 PRO HB2 . . 5.500 4.612 3.426 5.529 0.029 9 0 "[ . 1 . 2]" 1
388 1 38 CYS HB3 1 55 PRO HB2 . . 5.500 3.296 2.098 5.534 0.034 19 0 "[ . 1 . 2]" 1
389 1 38 CYS SG 3 67 CYS CB . . 3.100 3.068 3.003 3.102 0.002 19 0 "[ . 1 . 2]" 1
390 1 38 CYS SG 3 67 CYS SG . . 2.100 2.041 2.026 2.063 . 0 0 "[ . 1 . 2]" 1
391 1 39 GLN H 1 39 GLN QE . . 5.340 3.777 2.051 5.079 . 0 0 "[ . 1 . 2]" 1
392 1 39 GLN H 1 39 GLN QG . . 4.690 3.487 2.516 4.223 . 0 0 "[ . 1 . 2]" 1
393 1 39 GLN H 1 55 PRO HG3 . . 4.600 4.607 4.080 4.733 0.133 3 0 "[ . 1 . 2]" 1
394 1 39 GLN QB 1 39 GLN HE22 . . 4.900 3.750 3.099 4.488 . 0 0 "[ . 1 . 2]" 1
395 1 39 GLN QE 1 55 PRO HG3 . . 5.010 4.495 3.347 5.143 0.133 19 0 "[ . 1 . 2]" 1
396 1 40 ILE H 1 40 ILE HB . . 3.960 2.625 2.522 2.781 . 0 0 "[ . 1 . 2]" 1
397 1 40 ILE H 1 40 ILE MD . . 4.910 4.121 3.960 4.262 . 0 0 "[ . 1 . 2]" 1
398 1 40 ILE H 1 40 ILE MG . . 4.480 3.814 3.765 3.875 . 0 0 "[ . 1 . 2]" 1
399 1 40 ILE H 1 53 ILE H . . 5.290 3.623 3.172 4.185 . 0 0 "[ . 1 . 2]" 1
400 1 40 ILE H 1 55 PRO HG3 . . 5.260 4.235 3.272 4.840 . 0 0 "[ . 1 . 2]" 1
401 1 40 ILE HA 1 40 ILE MD . . 4.530 3.815 3.774 3.867 . 0 0 "[ . 1 . 2]" 1
402 1 40 ILE HB 1 40 ILE MD . . 3.180 2.487 2.459 2.524 . 0 0 "[ . 1 . 2]" 1
403 1 40 ILE HB 1 41 VAL H . . 4.360 4.173 4.043 4.275 . 0 0 "[ . 1 . 2]" 1
404 1 40 ILE HB 1 53 ILE H . . 4.870 3.526 3.052 4.178 . 0 0 "[ . 1 . 2]" 1
405 1 40 ILE HB 1 53 ILE HB . . 4.760 2.429 2.068 2.925 . 0 0 "[ . 1 . 2]" 1
406 1 40 ILE HB 1 53 ILE MG . . 3.850 3.690 3.425 3.930 0.080 14 0 "[ . 1 . 2]" 1
407 1 40 ILE HB 1 60 ILE QG . . 5.340 4.393 4.172 4.676 . 0 0 "[ . 1 . 2]" 1
408 1 40 ILE MD 1 53 ILE HB . . 4.390 3.805 3.387 4.420 0.030 3 0 "[ . 1 . 2]" 1
409 1 40 ILE MD 1 60 ILE HB . . 4.170 4.193 4.052 4.263 0.093 1 0 "[ . 1 . 2]" 1
410 1 40 ILE MD 1 60 ILE MD . . 3.130 2.529 2.067 2.955 . 0 0 "[ . 1 . 2]" 1
411 1 40 ILE MD 1 60 ILE QG . . 3.630 3.217 2.832 3.575 . 0 0 "[ . 1 . 2]" 1
412 1 40 ILE MD 1 60 ILE MG . . 3.140 2.040 1.890 2.182 . 0 0 "[ . 1 . 2]" 1
413 1 40 ILE QG 1 60 ILE QG . . 5.340 5.061 4.796 5.352 0.012 2 0 "[ . 1 . 2]" 1
414 1 40 ILE MG 1 41 VAL H . . 3.690 2.689 2.388 2.892 . 0 0 "[ . 1 . 2]" 1
415 1 40 ILE MG 1 53 ILE H . . 5.300 3.726 3.147 4.225 . 0 0 "[ . 1 . 2]" 1
416 1 40 ILE MG 1 53 ILE HB . . 4.290 2.743 2.375 3.107 . 0 0 "[ . 1 . 2]" 1
417 1 40 ILE MG 1 53 ILE QG . . 4.240 2.893 2.548 3.445 . 0 0 "[ . 1 . 2]" 1
418 1 40 ILE MG 1 55 PRO QD . . 5.500 5.267 4.808 5.530 0.030 1 0 "[ . 1 . 2]" 1
419 1 40 ILE O 1 53 ILE H . . 2.000 1.706 1.593 1.947 . 0 0 "[ . 1 . 2]" 1
420 1 40 ILE O 1 53 ILE N . . 3.000 2.668 2.567 2.892 . 0 0 "[ . 1 . 2]" 1
421 1 41 VAL H 1 53 ILE QG . . 4.980 4.759 4.394 5.023 0.043 14 0 "[ . 1 . 2]" 1
422 1 41 VAL HA 1 52 CYS HA . . 4.170 2.035 1.841 2.357 . 0 0 "[ . 1 . 2]" 1
423 1 41 VAL HA 1 53 ILE H . . 4.330 2.864 2.412 3.338 . 0 0 "[ . 1 . 2]" 1
424 1 41 VAL QG 1 42 ALA H . . 4.640 2.601 2.289 2.678 . 0 0 "[ . 1 . 2]" 1
425 1 42 ALA H 1 51 VAL H . . 4.800 3.396 3.051 3.628 . 0 0 "[ . 1 . 2]" 1
426 1 42 ALA H 1 51 VAL O . . 2.000 1.769 1.674 1.909 . 0 0 "[ . 1 . 2]" 1
427 1 42 ALA H 1 53 ILE H . . 5.500 3.901 3.611 4.179 . 0 0 "[ . 1 . 2]" 1
428 1 42 ALA MB 1 43 ARG H . . 4.010 2.935 2.677 3.150 . 0 0 "[ . 1 . 2]" 1
429 1 42 ALA MB 1 51 VAL H . . 4.860 3.738 3.459 4.170 . 0 0 "[ . 1 . 2]" 1
430 1 42 ALA MB 1 51 VAL HB . . 5.150 4.864 4.349 5.166 0.016 5 0 "[ . 1 . 2]" 1
431 1 42 ALA MB 1 51 VAL MG2 . . 2.920 2.581 2.084 2.931 0.011 19 0 "[ . 1 . 2]" 1
432 1 42 ALA MB 1 53 ILE H . . 4.780 4.411 4.190 4.720 . 0 0 "[ . 1 . 2]" 1
433 1 42 ALA MB 1 59 TRP HH2 . . 4.590 3.504 3.227 3.848 . 0 0 "[ . 1 . 2]" 1
434 1 42 ALA MB 1 59 TRP HZ2 . . 4.540 4.600 4.418 4.695 0.155 14 0 "[ . 1 . 2]" 1
435 1 42 ALA N 1 51 VAL O . . 3.000 2.716 2.617 2.801 . 0 0 "[ . 1 . 2]" 1
436 1 42 ALA O 1 51 VAL H . . 2.000 1.909 1.770 2.022 0.022 1 0 "[ . 1 . 2]" 1
437 1 42 ALA O 1 51 VAL N . . 3.000 2.857 2.746 2.996 . 0 0 "[ . 1 . 2]" 1
438 1 43 ARG H 1 43 ARG QD . . 5.500 4.465 2.765 4.847 . 0 0 "[ . 1 . 2]" 1
439 1 43 ARG H 1 51 VAL H . . 5.500 4.910 4.595 5.095 . 0 0 "[ . 1 . 2]" 1
440 1 43 ARG H 1 51 VAL MG2 . . 5.500 5.086 4.631 5.492 . 0 0 "[ . 1 . 2]" 1
441 1 43 ARG HA 1 43 ARG QD . . 4.200 3.769 2.110 4.250 0.050 10 0 "[ . 1 . 2]" 1
442 1 43 ARG HA 1 50 GLN HA . . 4.610 2.335 2.117 2.597 . 0 0 "[ . 1 . 2]" 1
443 1 43 ARG HA 1 50 GLN QG . . 5.480 3.675 2.033 5.195 . 0 0 "[ . 1 . 2]" 1
444 1 43 ARG HA 1 51 VAL H . . 4.750 3.164 2.383 3.624 . 0 0 "[ . 1 . 2]" 1
445 1 43 ARG HA 1 51 VAL MG2 . . 4.590 4.081 3.268 4.646 0.056 17 0 "[ . 1 . 2]" 1
446 1 43 ARG QB 1 44 LEU H . . 4.890 3.458 2.854 3.847 . 0 0 "[ . 1 . 2]" 1
447 1 43 ARG QB 1 50 GLN QG . . 5.310 3.858 2.021 5.315 0.005 9 0 "[ . 1 . 2]" 1
448 1 43 ARG QD 1 44 LEU H . . 5.010 4.529 2.162 5.058 0.048 5 0 "[ . 1 . 2]" 1
449 1 43 ARG QD 1 50 GLN HB2 . . 5.370 4.445 2.133 5.434 0.064 12 0 "[ . 1 . 2]" 1
450 1 43 ARG QD 1 50 GLN QB . . 4.670 3.712 2.118 4.716 0.046 1 0 "[ . 1 . 2]" 1
451 1 43 ARG QD 1 50 GLN HB3 . . 5.370 4.383 3.040 5.415 0.045 17 0 "[ . 1 . 2]" 1
452 1 43 ARG QD 1 50 GLN QG . . 5.480 4.115 2.565 5.494 0.014 19 0 "[ . 1 . 2]" 1
453 1 44 LEU H 1 44 LEU HB2 . . 4.100 2.396 2.256 2.518 . 0 0 "[ . 1 . 2]" 1
454 1 44 LEU H 1 44 LEU MD1 . . 4.490 3.349 2.015 3.698 . 0 0 "[ . 1 . 2]" 1
455 1 44 LEU H 1 44 LEU QD . . 3.900 2.794 1.722 3.082 . 0 0 "[ . 1 . 2]" 1
456 1 44 LEU H 1 44 LEU MD2 . . 4.490 3.171 1.740 3.932 . 0 0 "[ . 1 . 2]" 1
457 1 44 LEU H 1 44 LEU HG . . 4.310 2.536 2.066 3.995 . 0 0 "[ . 1 . 2]" 1
458 1 44 LEU H 1 50 GLN HA . . 4.550 2.778 2.234 3.503 . 0 0 "[ . 1 . 2]" 1
459 1 44 LEU H 1 51 VAL H . . 5.500 3.892 3.281 4.559 . 0 0 "[ . 1 . 2]" 1
460 1 44 LEU HA 1 44 LEU MD1 . . 4.510 3.574 2.119 3.923 . 0 0 "[ . 1 . 2]" 1
461 1 44 LEU HA 1 44 LEU QD . . 3.220 2.133 2.011 2.774 . 0 0 "[ . 1 . 2]" 1
462 1 44 LEU HA 1 44 LEU MD2 . . 4.510 2.380 2.018 3.867 . 0 0 "[ . 1 . 2]" 1
463 1 44 LEU HB2 1 44 LEU QD . . 3.120 2.243 2.113 2.320 . 0 0 "[ . 1 . 2]" 1
464 1 44 LEU HB2 1 45 LYS H . . 5.060 3.718 3.256 4.059 . 0 0 "[ . 1 . 2]" 1
465 1 44 LEU HB2 1 49 ARG H . . 3.460 3.201 1.844 3.507 0.047 17 0 "[ . 1 . 2]" 1
466 1 44 LEU HB3 1 45 LYS H . . 4.720 2.627 2.144 3.095 . 0 0 "[ . 1 . 2]" 1
467 1 44 LEU HB3 1 49 ARG H . . 4.480 4.402 3.552 4.635 0.155 10 0 "[ . 1 . 2]" 1
468 1 44 LEU QD 1 45 LYS H . . 3.880 3.420 3.226 3.757 . 0 0 "[ . 1 . 2]" 1
469 1 44 LEU QD 1 48 ASN QB . . 4.710 3.100 1.748 4.919 0.209 10 0 "[ . 1 . 2]" 1
470 1 44 LEU QD 1 49 ARG H . . 4.530 2.338 1.710 2.866 . 0 0 "[ . 1 . 2]" 1
471 1 44 LEU QD 1 49 ARG HA . . 5.110 4.123 3.193 4.553 . 0 0 "[ . 1 . 2]" 1
472 1 44 LEU QD 1 49 ARG QB . . 3.960 3.478 1.870 4.180 0.220 2 0 "[ . 1 . 2]" 1
473 1 44 LEU QD 1 49 ARG QD . . 3.740 3.177 2.061 3.927 0.187 11 0 "[ . 1 . 2]" 1
474 1 44 LEU QD 1 50 GLN H . . 5.440 4.235 3.133 4.744 . 0 0 "[ . 1 . 2]" 1
475 1 44 LEU QD 1 50 GLN HA . . 4.500 3.487 2.331 4.328 . 0 0 "[ . 1 . 2]" 1
476 1 44 LEU QD 1 51 VAL H . . 5.440 3.512 2.502 4.125 . 0 0 "[ . 1 . 2]" 1
477 1 44 LEU QD 1 51 VAL HB . . 4.260 3.941 3.655 4.312 0.052 4 0 "[ . 1 . 2]" 1
478 1 44 LEU MD1 1 45 LYS H . . 5.140 4.448 3.492 4.950 . 0 0 "[ . 1 . 2]" 1
479 1 44 LEU MD2 1 45 LYS H . . 5.140 3.677 3.332 5.000 . 0 0 "[ . 1 . 2]" 1
480 1 44 LEU HG 1 45 LYS H . . 5.500 4.790 3.670 5.068 . 0 0 "[ . 1 . 2]" 1
481 1 44 LEU HG 1 49 ARG H . . 5.140 4.264 2.807 5.196 0.056 7 0 "[ . 1 . 2]" 1
482 1 44 LEU HG 1 51 VAL MG1 . . 3.920 3.199 2.171 3.982 0.062 10 0 "[ . 1 . 2]" 1
483 1 44 LEU HG 1 51 VAL MG2 . . 3.950 2.819 2.193 3.974 0.024 10 0 "[ . 1 . 2]" 1
484 1 45 LYS H 1 45 LYS HD3 . . 3.860 3.679 1.996 3.907 0.047 9 0 "[ . 1 . 2]" 1
485 1 45 LYS H 1 45 LYS QE . . 5.500 4.577 3.398 5.251 . 0 0 "[ . 1 . 2]" 1
486 1 45 LYS H 1 45 LYS HG2 . . 4.620 3.667 3.234 4.095 . 0 0 "[ . 1 . 2]" 1
487 1 45 LYS H 1 45 LYS HG3 . . 4.240 2.381 1.904 3.139 . 0 0 "[ . 1 . 2]" 1
488 1 45 LYS HA 1 45 LYS HD2 . . 5.020 4.741 4.531 4.873 . 0 0 "[ . 1 . 2]" 1
489 1 45 LYS HA 1 45 LYS HD3 . . 5.010 4.556 3.713 4.680 . 0 0 "[ . 1 . 2]" 1
490 1 45 LYS HA 1 45 LYS QE . . 4.470 4.171 3.928 4.478 0.008 20 0 "[ . 1 . 2]" 1
491 1 45 LYS HA 1 45 LYS HG3 . . 4.120 2.824 2.416 3.041 . 0 0 "[ . 1 . 2]" 1
492 1 45 LYS QB 1 45 LYS HD3 . . 3.170 2.412 2.299 2.527 . 0 0 "[ . 1 . 2]" 1
493 1 45 LYS QB 1 45 LYS QE . . 4.480 2.121 1.911 2.900 . 0 0 "[ . 1 . 2]" 1
494 1 48 ASN QB 1 49 ARG H . . 4.240 2.514 1.775 3.834 . 0 0 "[ . 1 . 2]" 1
495 1 48 ASN HB2 1 49 ARG H . . 4.870 3.222 1.996 4.305 . 0 0 "[ . 1 . 2]" 1
496 1 48 ASN HB3 1 49 ARG H . . 4.870 2.889 1.788 4.302 . 0 0 "[ . 1 . 2]" 1
497 1 49 ARG H 1 49 ARG QB . . 3.740 2.880 2.424 3.393 . 0 0 "[ . 1 . 2]" 1
498 1 49 ARG H 1 49 ARG HD2 . . 5.500 3.541 1.763 4.958 . 0 0 "[ . 1 . 2]" 1
499 1 49 ARG H 1 49 ARG QD . . 4.710 2.873 1.758 4.211 . 0 0 "[ . 1 . 2]" 1
500 1 49 ARG H 1 49 ARG HD3 . . 5.500 3.497 1.973 5.170 . 0 0 "[ . 1 . 2]" 1
501 1 49 ARG H 1 49 ARG HG2 . . 4.550 3.710 2.367 4.648 0.098 14 0 "[ . 1 . 2]" 1
502 1 49 ARG H 1 49 ARG QG . . 3.690 3.045 2.138 3.754 0.064 14 0 "[ . 1 . 2]" 1
503 1 49 ARG H 1 49 ARG HG3 . . 4.550 3.558 2.163 4.572 0.022 7 0 "[ . 1 . 2]" 1
504 1 49 ARG HA 1 49 ARG HD2 . . 4.740 4.157 2.947 4.743 0.003 19 0 "[ . 1 . 2]" 1
505 1 49 ARG HA 1 49 ARG QD . . 3.860 3.613 2.269 4.024 0.164 11 0 "[ . 1 . 2]" 1
506 1 49 ARG HA 1 49 ARG HD3 . . 4.740 4.148 2.359 5.003 0.263 17 0 "[ . 1 . 2]" 1
507 1 49 ARG HA 1 49 ARG QG . . 3.700 3.097 2.377 3.578 . 0 0 "[ . 1 . 2]" 1
508 1 49 ARG HA 1 50 GLN H . . 3.460 2.685 2.272 3.524 0.064 17 0 "[ . 1 . 2]" 1
509 1 49 ARG QB 1 49 ARG QD . . 3.250 2.274 1.939 2.680 . 0 0 "[ . 1 . 2]" 1
510 1 49 ARG QB 1 50 GLN H . . 3.960 2.089 1.682 3.379 . 0 0 "[ . 1 . 2]" 1
511 1 49 ARG QD 1 49 ARG QG . . 2.360 2.064 1.981 2.098 . 0 0 "[ . 1 . 2]" 1
512 1 49 ARG QG 1 50 GLN H . . 4.270 3.476 2.241 4.345 0.075 4 0 "[ . 1 . 2]" 1
513 1 50 GLN H 1 50 GLN QG . . 4.590 3.170 2.075 4.019 . 0 0 "[ . 1 . 2]" 1
514 1 50 GLN HA 1 51 VAL MG1 . . 4.980 3.646 3.320 3.927 . 0 0 "[ . 1 . 2]" 1
515 1 50 GLN QB 1 51 VAL H . . 4.120 3.189 2.426 3.789 . 0 0 "[ . 1 . 2]" 1
516 1 50 GLN HB2 1 51 VAL H . . 4.710 3.613 2.458 4.509 . 0 0 "[ . 1 . 2]" 1
517 1 50 GLN HB3 1 51 VAL H . . 4.710 3.861 2.681 4.244 . 0 0 "[ . 1 . 2]" 1
518 1 50 GLN QG 1 51 VAL H . . 5.500 3.687 2.656 4.588 . 0 0 "[ . 1 . 2]" 1
519 1 51 VAL H 1 51 VAL MG1 . . 3.800 3.014 2.737 3.259 . 0 0 "[ . 1 . 2]" 1
520 1 51 VAL H 1 51 VAL MG2 . . 3.510 2.284 2.009 2.596 . 0 0 "[ . 1 . 2]" 1
521 1 51 VAL HA 1 51 VAL MG1 . . 3.510 2.371 2.283 2.500 . 0 0 "[ . 1 . 2]" 1
522 1 51 VAL HB 1 52 CYS H . . 4.170 2.519 2.361 2.708 . 0 0 "[ . 1 . 2]" 1
523 1 51 VAL HB 2 23 TYR QE . . 5.500 4.553 3.090 5.244 . 0 0 "[ . 1 . 2]" 1
524 1 51 VAL MG1 1 52 CYS H . . 4.290 3.659 3.442 3.832 . 0 0 "[ . 1 . 2]" 1
525 1 51 VAL MG1 2 23 TYR QD . . 4.240 3.179 2.169 4.200 . 0 0 "[ . 1 . 2]" 1
526 1 51 VAL MG1 2 23 TYR QE . . 3.290 2.814 1.860 3.335 0.045 3 0 "[ . 1 . 2]" 1
527 1 51 VAL MG2 1 52 CYS H . . 4.560 3.571 3.355 3.832 . 0 0 "[ . 1 . 2]" 1
528 1 51 VAL MG2 2 23 TYR QE . . 3.510 3.602 3.526 3.688 0.178 4 0 "[ . 1 . 2]" 1
529 1 52 CYS HB2 1 53 ILE H . . 5.100 4.118 3.722 4.434 . 0 0 "[ . 1 . 2]" 1
530 1 52 CYS HB3 1 53 ILE H . . 4.740 3.669 2.523 4.092 . 0 0 "[ . 1 . 2]" 1
531 1 53 ILE H 1 53 ILE MD . . 3.750 3.390 3.289 3.556 . 0 0 "[ . 1 . 2]" 1
532 1 53 ILE H 1 53 ILE HG12 . . 5.090 2.556 2.394 2.729 . 0 0 "[ . 1 . 2]" 1
533 1 53 ILE H 1 53 ILE QG . . 4.340 2.526 2.371 2.690 . 0 0 "[ . 1 . 2]" 1
534 1 53 ILE H 1 53 ILE HG13 . . 5.090 3.955 3.840 4.118 . 0 0 "[ . 1 . 2]" 1
535 1 53 ILE HA 1 53 ILE MD . . 4.030 2.188 2.069 2.385 . 0 0 "[ . 1 . 2]" 1
536 1 53 ILE HA 1 57 LEU MD1 . . 5.500 3.799 3.394 4.199 . 0 0 "[ . 1 . 2]" 1
537 1 53 ILE HB 1 53 ILE MD . . 3.280 3.229 3.193 3.260 . 0 0 "[ . 1 . 2]" 1
538 1 53 ILE HB 1 54 ASP H . . 4.540 3.827 3.554 3.941 . 0 0 "[ . 1 . 2]" 1
539 1 53 ILE HB 1 60 ILE QG . . 4.690 3.758 3.090 4.172 . 0 0 "[ . 1 . 2]" 1
540 1 53 ILE MD 1 53 ILE MG . . 2.400 1.946 1.853 2.047 . 0 0 "[ . 1 . 2]" 1
541 1 53 ILE MD 1 54 ASP H . . 4.860 3.779 3.499 4.159 . 0 0 "[ . 1 . 2]" 1
542 1 53 ILE MD 1 59 TRP HH2 . . 4.370 3.586 2.486 4.387 0.017 1 0 "[ . 1 . 2]" 1
543 1 53 ILE MD 1 59 TRP HZ2 . . 3.990 2.925 2.112 3.727 . 0 0 "[ . 1 . 2]" 1
544 1 53 ILE MD 1 60 ILE QG . . 4.780 4.594 4.292 4.796 0.016 10 0 "[ . 1 . 2]" 1
545 1 53 ILE QG 1 53 ILE MG . . 2.810 2.201 2.140 2.274 . 0 0 "[ . 1 . 2]" 1
546 1 53 ILE QG 1 60 ILE QG . . 4.220 4.234 3.799 4.316 0.096 1 0 "[ . 1 . 2]" 1
547 1 53 ILE HG12 1 53 ILE MG . . 3.270 3.166 3.143 3.179 . 0 0 "[ . 1 . 2]" 1
548 1 53 ILE HG12 1 54 ASP H . . 5.160 5.095 5.038 5.158 . 0 0 "[ . 1 . 2]" 1
549 1 53 ILE HG13 1 53 ILE MG . . 3.270 2.246 2.175 2.329 . 0 0 "[ . 1 . 2]" 1
550 1 53 ILE HG13 1 54 ASP H . . 5.160 5.154 4.995 5.208 0.048 2 0 "[ . 1 . 2]" 1
551 1 53 ILE MG 1 54 ASP H . . 4.230 2.288 2.117 2.402 . 0 0 "[ . 1 . 2]" 1
552 1 53 ILE MG 1 55 PRO HA . . 5.210 3.796 3.227 4.223 . 0 0 "[ . 1 . 2]" 1
553 1 53 ILE MG 1 59 TRP HZ2 . . 5.500 2.901 2.213 3.500 . 0 0 "[ . 1 . 2]" 1
554 1 53 ILE MG 1 60 ILE QG . . 3.270 2.254 1.923 2.535 . 0 0 "[ . 1 . 2]" 1
555 1 54 ASP H 1 54 ASP HB2 . . 3.980 2.664 2.472 3.646 . 0 0 "[ . 1 . 2]" 1
556 1 54 ASP H 1 54 ASP HB3 . . 3.980 2.529 2.381 2.790 . 0 0 "[ . 1 . 2]" 1
557 1 54 ASP H 1 57 LEU H . . 5.430 5.141 4.717 5.453 0.023 1 0 "[ . 1 . 2]" 1
558 1 54 ASP H 1 57 LEU MD1 . . 4.420 2.945 2.303 3.518 . 0 0 "[ . 1 . 2]" 1
559 1 54 ASP H 1 57 LEU HG . . 4.960 3.663 3.315 4.063 . 0 0 "[ . 1 . 2]" 1
560 1 54 ASP HA 1 55 PRO QD . . 3.900 1.982 1.908 2.046 . 0 0 "[ . 1 . 2]" 1
561 1 54 ASP HA 1 56 LYS H . . 5.140 3.681 3.548 3.850 . 0 0 "[ . 1 . 2]" 1
562 1 54 ASP QB 1 57 LEU H . . 4.560 3.544 2.894 3.969 . 0 0 "[ . 1 . 2]" 1
563 1 54 ASP QB 1 57 LEU MD1 . . 4.180 3.039 2.445 4.267 0.087 5 0 "[ . 1 . 2]" 1
564 1 54 ASP QB 1 57 LEU MD2 . . 4.310 3.212 2.512 4.186 . 0 0 "[ . 1 . 2]" 1
565 1 54 ASP QB 1 57 LEU HG . . 3.750 2.237 1.842 3.625 . 0 0 "[ . 1 . 2]" 1
566 1 54 ASP HB2 1 57 LEU H . . 5.220 5.068 4.090 5.305 0.085 16 0 "[ . 1 . 2]" 1
567 1 54 ASP HB2 1 57 LEU MD1 . . 4.780 4.187 3.492 4.823 0.043 9 0 "[ . 1 . 2]" 1
568 1 54 ASP HB2 1 57 LEU MD2 . . 4.930 4.401 3.659 5.008 0.078 12 0 "[ . 1 . 2]" 1
569 1 54 ASP HB3 1 57 LEU H . . 5.220 3.678 2.927 5.363 0.143 5 0 "[ . 1 . 2]" 1
570 1 54 ASP HB3 1 57 LEU MD1 . . 4.780 3.137 2.480 4.775 . 0 0 "[ . 1 . 2]" 1
571 1 54 ASP HB3 1 57 LEU MD2 . . 4.930 3.318 2.559 4.719 . 0 0 "[ . 1 . 2]" 1
572 1 55 PRO HA 1 57 LEU H . . 5.420 3.590 3.410 3.825 . 0 0 "[ . 1 . 2]" 1
573 1 55 PRO HA 1 60 ILE HB . . 5.410 3.627 3.219 3.973 . 0 0 "[ . 1 . 2]" 1
574 1 55 PRO HA 1 60 ILE MD . . 3.740 3.784 3.580 3.862 0.122 16 0 "[ . 1 . 2]" 1
575 1 55 PRO HA 1 60 ILE QG . . 4.250 2.995 2.478 3.349 . 0 0 "[ . 1 . 2]" 1
576 1 55 PRO HA 1 60 ILE MG . . 3.750 1.976 1.838 2.157 . 0 0 "[ . 1 . 2]" 1
577 1 55 PRO HB2 1 60 ILE MG . . 5.120 3.577 3.219 3.956 . 0 0 "[ . 1 . 2]" 1
578 1 55 PRO HB3 1 60 ILE MG . . 4.960 3.547 3.171 3.919 . 0 0 "[ . 1 . 2]" 1
579 1 55 PRO QD 1 56 LYS H . . 4.530 2.909 2.686 3.181 . 0 0 "[ . 1 . 2]" 1
580 1 55 PRO HG2 1 56 LYS H . . 3.940 3.351 2.984 3.757 . 0 0 "[ . 1 . 2]" 1
581 1 56 LYS H 1 56 LYS HB2 . . 3.740 2.455 2.180 2.662 . 0 0 "[ . 1 . 2]" 1
582 1 56 LYS H 1 56 LYS QB . . 3.240 2.418 2.161 2.609 . 0 0 "[ . 1 . 2]" 1
583 1 56 LYS H 1 56 LYS HB3 . . 3.740 3.628 3.541 3.747 0.007 11 0 "[ . 1 . 2]" 1
584 1 56 LYS H 1 56 LYS QD . . 4.660 4.052 1.959 4.585 . 0 0 "[ . 1 . 2]" 1
585 1 56 LYS H 1 56 LYS QE . . 4.660 4.070 3.194 4.794 0.134 2 0 "[ . 1 . 2]" 1
586 1 56 LYS H 1 56 LYS HG2 . . 4.250 3.801 3.400 4.310 0.060 11 0 "[ . 1 . 2]" 1
587 1 56 LYS H 1 56 LYS QG . . 3.680 2.603 2.313 3.413 . 0 0 "[ . 1 . 2]" 1
588 1 56 LYS H 1 56 LYS HG3 . . 4.250 2.654 2.344 3.578 . 0 0 "[ . 1 . 2]" 1
589 1 56 LYS H 1 57 LEU H . . 3.840 2.194 1.783 2.400 . 0 0 "[ . 1 . 2]" 1
590 1 56 LYS H 1 60 ILE HB . . 5.500 4.632 4.234 5.109 . 0 0 "[ . 1 . 2]" 1
591 1 56 LYS H 1 60 ILE MG . . 4.460 4.311 4.050 4.495 0.035 10 0 "[ . 1 . 2]" 1
592 1 56 LYS HA 1 56 LYS QE . . 5.500 4.231 3.533 4.807 . 0 0 "[ . 1 . 2]" 1
593 1 56 LYS HA 1 56 LYS HG2 . . 3.990 2.654 2.421 3.659 . 0 0 "[ . 1 . 2]" 1
594 1 56 LYS HA 1 56 LYS QG . . 3.460 2.458 2.355 2.548 . 0 0 "[ . 1 . 2]" 1
595 1 56 LYS HA 1 56 LYS HG3 . . 3.990 3.016 2.537 3.227 . 0 0 "[ . 1 . 2]" 1
596 1 56 LYS HA 1 61 GLN HE21 . . 5.210 3.081 2.287 4.362 . 0 0 "[ . 1 . 2]" 1
597 1 56 LYS HA 1 61 GLN HE22 . . 4.380 2.472 1.881 3.436 . 0 0 "[ . 1 . 2]" 1
598 1 56 LYS HA 1 61 GLN QG . . 4.260 3.791 3.016 4.289 0.029 16 0 "[ . 1 . 2]" 1
599 1 56 LYS QB 1 56 LYS QD . . 2.510 2.356 2.219 2.482 . 0 0 "[ . 1 . 2]" 1
600 1 56 LYS QB 1 56 LYS QE . . 2.600 1.971 1.822 2.559 . 0 0 "[ . 1 . 2]" 1
601 1 56 LYS QB 1 56 LYS QG . . 2.340 2.088 1.997 2.111 . 0 0 "[ . 1 . 2]" 1
602 1 56 LYS HB2 1 56 LYS QD . . 2.940 2.675 2.261 2.972 0.032 3 0 "[ . 1 . 2]" 1
603 1 56 LYS HB2 1 56 LYS QE . . 3.120 2.362 1.871 3.052 . 0 0 "[ . 1 . 2]" 1
604 1 56 LYS HB3 1 56 LYS QD . . 2.940 2.761 2.348 3.226 0.286 11 0 "[ . 1 . 2]" 1
605 1 56 LYS HB3 1 56 LYS QE . . 3.120 2.553 1.856 3.417 0.297 7 0 "[ . 1 . 2]" 1
606 1 56 LYS QE 1 56 LYS HG2 . . 3.840 2.911 2.254 3.492 . 0 0 "[ . 1 . 2]" 1
607 1 56 LYS QE 1 56 LYS QG . . 3.290 2.404 2.216 2.852 . 0 0 "[ . 1 . 2]" 1
608 1 56 LYS QE 1 56 LYS HG3 . . 3.840 2.893 2.345 3.495 . 0 0 "[ . 1 . 2]" 1
609 1 57 LEU H 1 57 LEU HB2 . . 3.970 2.330 1.978 2.470 . 0 0 "[ . 1 . 2]" 1
610 1 57 LEU H 1 57 LEU HB3 . . 3.710 3.525 2.960 3.636 . 0 0 "[ . 1 . 2]" 1
611 1 57 LEU H 1 57 LEU MD1 . . 4.770 3.660 3.450 4.020 . 0 0 "[ . 1 . 2]" 1
612 1 57 LEU H 1 57 LEU HG . . 3.680 2.687 2.298 3.752 0.072 12 0 "[ . 1 . 2]" 1
613 1 57 LEU H 1 60 ILE HB . . 4.160 2.996 2.650 3.245 . 0 0 "[ . 1 . 2]" 1
614 1 57 LEU H 1 60 ILE MD . . 5.140 4.973 4.810 5.157 0.017 5 0 "[ . 1 . 2]" 1
615 1 57 LEU H 1 60 ILE QG . . 4.310 3.441 3.240 3.699 . 0 0 "[ . 1 . 2]" 1
616 1 57 LEU H 1 60 ILE MG . . 4.900 3.735 3.405 4.027 . 0 0 "[ . 1 . 2]" 1
617 1 57 LEU HA 1 57 LEU MD1 . . 4.730 3.794 3.736 3.859 . 0 0 "[ . 1 . 2]" 1
618 1 57 LEU HA 1 57 LEU MD2 . . 3.450 1.975 1.852 2.178 . 0 0 "[ . 1 . 2]" 1
619 1 57 LEU HA 1 60 ILE H . . 5.500 4.526 4.297 5.050 . 0 0 "[ . 1 . 2]" 1
620 1 57 LEU HA 1 60 ILE QG . . 5.170 4.729 4.487 5.048 . 0 0 "[ . 1 . 2]" 1
621 1 57 LEU HB2 1 57 LEU MD1 . . 3.290 2.251 2.174 2.316 . 0 0 "[ . 1 . 2]" 1
622 1 57 LEU HB2 1 57 LEU MD2 . . 3.280 3.128 3.063 3.193 . 0 0 "[ . 1 . 2]" 1
623 1 57 LEU HB2 1 60 ILE H . . 4.970 2.892 2.469 4.019 . 0 0 "[ . 1 . 2]" 1
624 1 57 LEU HB2 1 60 ILE HB . . 5.030 2.490 2.047 3.153 . 0 0 "[ . 1 . 2]" 1
625 1 57 LEU HB2 1 60 ILE QG . . 4.150 2.195 1.946 2.935 . 0 0 "[ . 1 . 2]" 1
626 1 57 LEU HB2 1 61 GLN H . . 5.230 4.318 3.831 5.229 . 0 0 "[ . 1 . 2]" 1
627 1 57 LEU HB3 1 58 LYS H . . 5.140 2.845 1.668 3.950 . 0 0 "[ . 1 . 2]" 1
628 1 57 LEU HB3 1 60 ILE H . . 4.730 2.793 2.410 3.446 . 0 0 "[ . 1 . 2]" 1
629 1 57 LEU HB3 1 60 ILE HB . . 5.060 3.615 2.518 4.546 . 0 0 "[ . 1 . 2]" 1
630 1 57 LEU HB3 1 60 ILE MD . . 5.030 4.635 4.199 4.991 . 0 0 "[ . 1 . 2]" 1
631 1 57 LEU HB3 1 60 ILE HG12 . . 4.790 3.147 2.672 3.603 . 0 0 "[ . 1 . 2]" 1
632 1 57 LEU HB3 1 60 ILE QG . . 4.130 3.046 2.539 3.407 . 0 0 "[ . 1 . 2]" 1
633 1 57 LEU HB3 1 60 ILE HG13 . . 4.790 4.083 3.169 4.631 . 0 0 "[ . 1 . 2]" 1
634 1 57 LEU HB3 1 61 GLN H . . 5.500 4.588 4.092 5.423 . 0 0 "[ . 1 . 2]" 1
635 1 57 LEU MD1 1 59 TRP HD1 . . 4.640 3.354 3.086 3.862 . 0 0 "[ . 1 . 2]" 1
636 1 57 LEU MD1 1 59 TRP HE1 . . 4.010 2.053 1.658 2.510 . 0 0 "[ . 1 . 2]" 1
637 1 57 LEU MD1 1 59 TRP HZ2 . . 3.880 3.090 2.792 3.453 . 0 0 "[ . 1 . 2]" 1
638 1 57 LEU MD1 1 60 ILE H . . 5.500 3.919 3.416 4.330 . 0 0 "[ . 1 . 2]" 1
639 1 57 LEU MD1 1 60 ILE QG . . 3.640 2.391 1.946 2.959 . 0 0 "[ . 1 . 2]" 1
640 1 57 LEU MD2 1 58 LYS H . . 5.320 3.010 1.903 4.605 . 0 0 "[ . 1 . 2]" 1
641 1 57 LEU MD2 1 59 TRP HD1 . . 3.350 3.307 2.394 3.469 0.119 16 0 "[ . 1 . 2]" 1
642 1 57 LEU MD2 1 59 TRP HE1 . . 4.010 3.263 2.887 3.504 . 0 0 "[ . 1 . 2]" 1
643 1 57 LEU MD2 1 59 TRP HZ2 . . 5.240 5.107 4.646 5.321 0.081 1 0 "[ . 1 . 2]" 1
644 1 57 LEU MD2 1 60 ILE H . . 5.500 4.495 3.441 5.061 . 0 0 "[ . 1 . 2]" 1
645 1 57 LEU MD2 1 60 ILE QG . . 4.060 4.157 4.005 4.322 0.262 17 0 "[ . 1 . 2]" 1
646 1 57 LEU HG 1 60 ILE HB . . 5.120 4.623 4.137 5.215 0.095 12 0 "[ . 1 . 2]" 1
647 1 57 LEU HG 1 60 ILE QG . . 5.210 3.802 3.364 4.716 . 0 0 "[ . 1 . 2]" 1
648 1 58 LYS H 1 58 LYS QD . . 5.340 4.347 4.076 5.127 . 0 0 "[ . 1 . 2]" 1
649 1 58 LYS HA 1 58 LYS HD2 . . 4.430 3.123 1.966 4.390 . 0 0 "[ . 1 . 2]" 1
650 1 58 LYS HA 1 58 LYS QD . . 3.840 2.711 1.943 3.895 0.055 15 0 "[ . 1 . 2]" 1
651 1 58 LYS HA 1 58 LYS HD3 . . 4.430 3.330 2.246 4.544 0.114 1 0 "[ . 1 . 2]" 1
652 1 58 LYS HA 1 58 LYS QE . . 4.770 4.113 2.392 4.724 . 0 0 "[ . 1 . 2]" 1
653 1 58 LYS HA 1 58 LYS HG2 . . 4.150 3.396 2.418 3.857 . 0 0 "[ . 1 . 2]" 1
654 1 58 LYS HA 1 58 LYS QG . . 3.620 2.793 2.258 3.230 . 0 0 "[ . 1 . 2]" 1
655 1 58 LYS HA 1 58 LYS HG3 . . 4.150 3.155 2.332 3.780 . 0 0 "[ . 1 . 2]" 1
656 1 58 LYS HA 1 61 GLN H . . 4.770 3.271 2.663 3.935 . 0 0 "[ . 1 . 2]" 1
657 1 58 LYS HA 1 61 GLN QG . . 4.260 2.346 1.904 3.321 . 0 0 "[ . 1 . 2]" 1
658 1 58 LYS HA 1 62 GLU H . . 5.020 4.003 3.619 4.845 . 0 0 "[ . 1 . 2]" 1
659 1 58 LYS QB 1 58 LYS HD2 . . 3.620 2.814 2.310 3.546 . 0 0 "[ . 1 . 2]" 1
660 1 58 LYS QB 1 58 LYS QD . . 3.140 2.368 2.062 2.879 . 0 0 "[ . 1 . 2]" 1
661 1 58 LYS QB 1 58 LYS HD3 . . 3.620 2.627 2.246 3.516 . 0 0 "[ . 1 . 2]" 1
662 1 58 LYS QB 1 58 LYS QE . . 4.260 3.429 1.920 3.891 . 0 0 "[ . 1 . 2]" 1
663 1 58 LYS QB 1 59 TRP H . . 4.070 2.647 1.881 2.988 . 0 0 "[ . 1 . 2]" 1
664 1 58 LYS QD 1 58 LYS QG . . 2.350 2.068 1.995 2.101 . 0 0 "[ . 1 . 2]" 1
665 1 58 LYS QD 1 59 TRP H . . 5.130 4.390 3.276 5.000 . 0 0 "[ . 1 . 2]" 1
666 1 58 LYS QD 1 62 GLU HG2 . . 4.860 3.253 1.939 4.943 0.083 15 0 "[ . 1 . 2]" 1
667 1 58 LYS QG 1 59 TRP H . . 5.340 3.756 3.259 4.493 . 0 0 "[ . 1 . 2]" 1
668 1 58 LYS QG 1 62 GLU HG2 . . 4.560 3.223 2.398 4.241 . 0 0 "[ . 1 . 2]" 1
669 1 58 LYS QG 1 62 GLU HG3 . . 4.210 3.743 2.942 4.275 0.065 10 0 "[ . 1 . 2]" 1
670 1 59 TRP H 1 59 TRP HB3 . . 4.190 2.821 2.668 3.134 . 0 0 "[ . 1 . 2]" 1
671 1 59 TRP H 1 59 TRP HE1 . . 5.390 4.700 4.334 4.958 . 0 0 "[ . 1 . 2]" 1
672 1 59 TRP H 1 60 ILE H . . 4.410 2.572 2.484 2.614 . 0 0 "[ . 1 . 2]" 1
673 1 59 TRP HA 1 62 GLU H . . 4.950 3.412 3.131 3.630 . 0 0 "[ . 1 . 2]" 1
674 1 59 TRP HA 1 62 GLU HB2 . . 4.740 2.802 2.398 3.204 . 0 0 "[ . 1 . 2]" 1
675 1 59 TRP HA 1 62 GLU HB3 . . 4.760 4.409 3.919 4.815 0.055 7 0 "[ . 1 . 2]" 1
676 1 59 TRP HA 1 62 GLU HG2 . . 5.220 3.407 2.564 3.901 . 0 0 "[ . 1 . 2]" 1
677 1 59 TRP HA 1 62 GLU HG3 . . 5.100 3.523 2.826 4.223 . 0 0 "[ . 1 . 2]" 1
678 1 59 TRP HA 1 63 TYR H . . 5.490 3.923 3.747 4.160 . 0 0 "[ . 1 . 2]" 1
679 1 59 TRP HB3 1 59 TRP HD1 . . 3.450 2.788 2.631 2.959 . 0 0 "[ . 1 . 2]" 1
680 1 59 TRP HE3 1 60 ILE MD . . 4.830 3.188 2.907 3.622 . 0 0 "[ . 1 . 2]" 1
681 1 59 TRP HZ2 1 60 ILE QG . . 4.300 4.079 3.789 4.315 0.015 9 0 "[ . 1 . 2]" 1
682 1 60 ILE H 1 60 ILE HB . . 4.010 2.453 2.312 2.566 . 0 0 "[ . 1 . 2]" 1
683 1 60 ILE H 1 60 ILE MD . . 4.460 3.567 3.310 3.804 . 0 0 "[ . 1 . 2]" 1
684 1 60 ILE H 1 60 ILE HG12 . . 4.540 2.533 2.358 2.703 . 0 0 "[ . 1 . 2]" 1
685 1 60 ILE H 1 60 ILE QG . . 3.800 2.499 2.334 2.652 . 0 0 "[ . 1 . 2]" 1
686 1 60 ILE H 1 60 ILE HG13 . . 4.540 3.826 3.728 3.892 . 0 0 "[ . 1 . 2]" 1
687 1 60 ILE H 1 60 ILE MG . . 4.400 3.758 3.698 3.806 . 0 0 "[ . 1 . 2]" 1
688 1 60 ILE H 1 61 GLN H . . 4.070 2.551 2.460 2.657 . 0 0 "[ . 1 . 2]" 1
689 1 60 ILE H 1 62 GLU H . . 5.350 4.212 4.076 4.322 . 0 0 "[ . 1 . 2]" 1
690 1 60 ILE HA 1 60 ILE MD . . 3.750 2.022 1.984 2.086 . 0 0 "[ . 1 . 2]" 1
691 1 60 ILE HA 1 60 ILE QG . . 3.730 2.876 2.690 3.012 . 0 0 "[ . 1 . 2]" 1
692 1 60 ILE HA 1 63 TYR QD . . 5.020 4.291 4.107 4.443 . 0 0 "[ . 1 . 2]" 1
693 1 60 ILE HB 1 60 ILE MD . . 3.460 3.222 3.200 3.240 . 0 0 "[ . 1 . 2]" 1
694 1 60 ILE HB 1 61 GLN H . . 4.130 2.670 2.391 2.973 . 0 0 "[ . 1 . 2]" 1
695 1 60 ILE HB 1 64 LEU MD1 . . 4.390 4.322 4.115 4.412 0.022 9 0 "[ . 1 . 2]" 1
696 1 60 ILE MD 1 64 LEU H . . 5.080 4.951 4.640 5.134 0.054 10 0 "[ . 1 . 2]" 1
697 1 60 ILE QG 1 61 GLN H . . 5.340 4.182 4.000 4.339 . 0 0 "[ . 1 . 2]" 1
698 1 60 ILE MG 1 61 GLN H . . 4.510 3.247 2.974 3.479 . 0 0 "[ . 1 . 2]" 1
699 1 60 ILE MG 1 61 GLN QG . . 5.490 4.172 3.618 4.765 . 0 0 "[ . 1 . 2]" 1
700 1 60 ILE MG 1 63 TYR H . . 5.280 4.632 4.436 4.796 . 0 0 "[ . 1 . 2]" 1
701 1 60 ILE MG 1 64 LEU H . . 4.880 3.772 3.516 4.003 . 0 0 "[ . 1 . 2]" 1
702 1 61 GLN H 1 61 GLN QB . . 3.620 2.577 2.208 2.757 . 0 0 "[ . 1 . 2]" 1
703 1 61 GLN H 1 61 GLN HE21 . . 5.360 3.424 2.355 4.860 . 0 0 "[ . 1 . 2]" 1
704 1 61 GLN H 1 61 GLN HE22 . . 4.860 4.460 3.791 4.936 0.076 6 0 "[ . 1 . 2]" 1
705 1 61 GLN H 1 61 GLN QG . . 3.740 2.223 1.958 3.398 . 0 0 "[ . 1 . 2]" 1
706 1 61 GLN H 1 62 GLU H . . 4.180 2.786 2.520 2.890 . 0 0 "[ . 1 . 2]" 1
707 1 61 GLN HA 1 61 GLN HE22 . . 5.030 3.568 3.263 4.251 . 0 0 "[ . 1 . 2]" 1
708 1 61 GLN HA 1 61 GLN QG . . 3.990 3.043 2.599 3.282 . 0 0 "[ . 1 . 2]" 1
709 1 61 GLN HA 1 64 LEU H . . 4.980 3.759 3.436 3.965 . 0 0 "[ . 1 . 2]" 1
710 1 61 GLN HA 1 64 LEU MD1 . . 4.130 2.668 2.005 3.767 . 0 0 "[ . 1 . 2]" 1
711 1 61 GLN HA 1 65 GLU H . . 5.300 4.023 3.763 4.367 . 0 0 "[ . 1 . 2]" 1
712 1 61 GLN HA 3 68 LEU QD . . 3.770 2.308 1.894 3.123 . 0 0 "[ . 1 . 2]" 1
713 1 61 GLN QB 3 68 LEU QD . . 3.750 2.447 1.916 2.972 . 0 0 "[ . 1 . 2]" 1
714 1 61 GLN HE21 1 64 LEU MD1 . . 4.760 3.730 2.522 4.823 0.063 12 0 "[ . 1 . 2]" 1
715 1 61 GLN HE21 3 68 LEU HA . . 4.740 3.578 1.905 4.747 0.007 18 0 "[ . 1 . 2]" 1
716 1 61 GLN HE21 3 68 LEU QD . . 4.590 3.147 1.606 4.233 . 0 0 "[ . 1 . 2]" 1
717 1 61 GLN HE22 3 68 LEU HB2 . . 5.500 3.888 1.885 5.503 0.003 18 0 "[ . 1 . 2]" 1
718 1 61 GLN HE22 3 68 LEU HB3 . . 5.500 3.716 2.494 5.276 . 0 0 "[ . 1 . 2]" 1
719 1 61 GLN HE22 3 68 LEU MD1 . . 5.500 3.694 2.517 4.750 . 0 0 "[ . 1 . 2]" 1
720 1 61 GLN HE22 3 68 LEU QD . . 4.220 3.024 2.180 4.238 0.018 5 0 "[ . 1 . 2]" 1
721 1 61 GLN HE22 3 68 LEU MD2 . . 5.500 3.681 2.184 4.765 . 0 0 "[ . 1 . 2]" 1
722 1 61 GLN HE22 3 68 LEU HG . . 5.500 4.916 2.650 5.650 0.150 17 0 "[ . 1 . 2]" 1
723 1 61 GLN QG 2 29 PRO HB2 . . 5.500 3.382 2.196 4.273 . 0 0 "[ . 1 . 2]" 1
724 1 61 GLN QG 2 29 PRO QB . . 4.780 2.378 1.850 3.198 . 0 0 "[ . 1 . 2]" 1
725 1 61 GLN QG 2 29 PRO HB3 . . 5.500 2.467 1.876 3.456 . 0 0 "[ . 1 . 2]" 1
726 1 61 GLN QG 3 68 LEU QD . . 4.550 3.289 1.770 3.820 . 0 0 "[ . 1 . 2]" 1
727 1 62 GLU H 1 62 GLU HG2 . . 4.060 2.217 2.051 2.440 . 0 0 "[ . 1 . 2]" 1
728 1 62 GLU H 1 62 GLU HG3 . . 4.270 3.604 3.382 3.738 . 0 0 "[ . 1 . 2]" 1
729 1 62 GLU H 1 63 TYR H . . 4.180 2.686 2.531 2.806 . 0 0 "[ . 1 . 2]" 1
730 1 62 GLU HA 1 62 GLU HG2 . . 4.200 3.085 2.813 3.346 . 0 0 "[ . 1 . 2]" 1
731 1 62 GLU HA 1 62 GLU HG3 . . 3.900 3.780 3.730 3.864 . 0 0 "[ . 1 . 2]" 1
732 1 62 GLU HA 1 65 GLU H . . 4.630 3.593 3.294 3.827 . 0 0 "[ . 1 . 2]" 1
733 1 62 GLU HA 1 65 GLU HB2 . . 4.050 2.602 2.467 2.798 . 0 0 "[ . 1 . 2]" 1
734 1 62 GLU HA 1 65 GLU HB3 . . 4.040 4.131 4.060 4.200 0.160 15 0 "[ . 1 . 2]" 1
735 1 62 GLU HA 1 66 LYS H . . 5.280 3.896 3.589 4.272 . 0 0 "[ . 1 . 2]" 1
736 1 62 GLU HB2 1 63 TYR H . . 4.840 2.537 2.285 2.797 . 0 0 "[ . 1 . 2]" 1
737 1 62 GLU HB3 1 62 GLU HG3 . . 2.420 2.434 2.368 2.486 0.066 3 0 "[ . 1 . 2]" 1
738 1 63 TYR H 1 63 TYR HB2 . . 3.770 2.386 2.265 2.556 . 0 0 "[ . 1 . 2]" 1
739 1 63 TYR H 1 63 TYR HB3 . . 3.910 2.651 2.567 2.798 . 0 0 "[ . 1 . 2]" 1
740 1 63 TYR H 1 63 TYR QD . . 4.770 4.119 4.023 4.206 . 0 0 "[ . 1 . 2]" 1
741 1 63 TYR H 1 64 LEU H . . 4.250 2.724 2.536 2.839 . 0 0 "[ . 1 . 2]" 1
742 1 63 TYR H 1 66 LYS HG2 . . 5.450 4.848 4.101 5.514 0.064 14 0 "[ . 1 . 2]" 1
743 1 63 TYR HA 1 63 TYR QD . . 3.500 2.832 2.666 3.032 . 0 0 "[ . 1 . 2]" 1
744 1 63 TYR HB2 1 64 LEU H . . 4.270 3.673 3.499 3.792 . 0 0 "[ . 1 . 2]" 1
745 1 63 TYR HB3 1 64 LEU H . . 4.550 2.397 2.256 2.577 . 0 0 "[ . 1 . 2]" 1
746 1 63 TYR QD 1 64 LEU HG . . 3.980 3.850 3.488 4.020 0.040 1 0 "[ . 1 . 2]" 1
747 1 63 TYR QD 3 30 ILE QG . . 5.500 5.300 5.066 5.505 0.005 20 0 "[ . 1 . 2]" 1
748 1 63 TYR QD 3 30 ILE MG . . 3.560 3.530 3.166 3.632 0.072 7 0 "[ . 1 . 2]" 1
749 1 63 TYR QE 1 67 CYS HB2 . . 4.600 4.349 3.844 4.652 0.052 18 0 "[ . 1 . 2]" 1
750 1 63 TYR QE 3 30 ILE HB . . 3.580 2.699 2.487 3.070 . 0 0 "[ . 1 . 2]" 1
751 1 63 TYR QE 3 30 ILE MD . . 4.830 2.909 2.535 3.176 . 0 0 "[ . 1 . 2]" 1
752 1 63 TYR QE 3 30 ILE QG . . 4.120 4.150 4.003 4.234 0.114 7 0 "[ . 1 . 2]" 1
753 1 63 TYR QE 3 30 ILE MG . . 3.320 1.884 1.745 2.013 . 0 0 "[ . 1 . 2]" 1
754 1 64 LEU H 1 64 LEU MD1 . . 4.390 3.585 3.497 3.747 . 0 0 "[ . 1 . 2]" 1
755 1 64 LEU H 1 64 LEU MD2 . . 4.190 3.326 3.219 3.475 . 0 0 "[ . 1 . 2]" 1
756 1 64 LEU H 1 64 LEU HG . . 3.660 2.252 2.137 2.404 . 0 0 "[ . 1 . 2]" 1
757 1 64 LEU H 1 65 GLU H . . 4.150 2.749 2.619 2.831 . 0 0 "[ . 1 . 2]" 1
758 1 64 LEU H 3 68 LEU QD . . 4.690 4.103 3.797 4.502 . 0 0 "[ . 1 . 2]" 1
759 1 64 LEU HA 1 64 LEU MD1 . . 4.400 3.893 3.846 3.912 . 0 0 "[ . 1 . 2]" 1
760 1 64 LEU HA 1 64 LEU MD2 . . 3.300 2.111 2.012 2.146 . 0 0 "[ . 1 . 2]" 1
761 1 64 LEU HA 1 64 LEU HG . . 4.220 3.129 3.039 3.214 . 0 0 "[ . 1 . 2]" 1
762 1 64 LEU HA 1 67 CYS H . . 4.290 3.824 3.546 4.085 . 0 0 "[ . 1 . 2]" 1
763 1 64 LEU HA 1 68 LEU H . . 5.300 4.743 4.155 5.321 0.021 18 0 "[ . 1 . 2]" 1
764 1 64 LEU HA 3 30 ILE MD . . 4.550 3.969 3.691 4.513 . 0 0 "[ . 1 . 2]" 1
765 1 64 LEU HA 3 68 LEU QD . . 4.640 4.565 4.195 4.707 0.067 6 0 "[ . 1 . 2]" 1
766 1 64 LEU HB2 1 64 LEU MD2 . . 3.280 3.192 3.169 3.211 . 0 0 "[ . 1 . 2]" 1
767 1 64 LEU HB2 1 65 GLU H . . 5.190 2.364 2.291 2.576 . 0 0 "[ . 1 . 2]" 1
768 1 64 LEU HB2 3 68 LEU QD . . 3.840 2.274 2.026 2.630 . 0 0 "[ . 1 . 2]" 1
769 1 64 LEU HB3 1 65 GLU H . . 5.270 3.439 3.332 3.621 . 0 0 "[ . 1 . 2]" 1
770 1 64 LEU MD1 1 65 GLU H . . 4.790 4.277 4.168 4.557 . 0 0 "[ . 1 . 2]" 1
771 1 64 LEU MD1 3 67 CYS H . . 4.270 4.107 3.589 4.317 0.047 7 0 "[ . 1 . 2]" 1
772 1 64 LEU MD1 3 68 LEU HA . . 4.820 3.151 2.221 3.647 . 0 0 "[ . 1 . 2]" 1
773 1 64 LEU MD2 3 68 LEU H . . 4.940 4.973 4.751 5.022 0.082 1 0 "[ . 1 . 2]" 1
774 1 65 GLU H 1 65 GLU HB2 . . 3.680 2.354 2.259 2.510 . 0 0 "[ . 1 . 2]" 1
775 1 65 GLU H 1 65 GLU HB3 . . 3.930 3.583 3.529 3.619 . 0 0 "[ . 1 . 2]" 1
776 1 65 GLU H 1 65 GLU HG2 . . 4.160 3.376 2.339 3.545 . 0 0 "[ . 1 . 2]" 1
777 1 65 GLU H 1 65 GLU HG3 . . 4.120 2.478 2.263 3.444 . 0 0 "[ . 1 . 2]" 1
778 1 65 GLU H 1 66 LYS H . . 4.060 2.788 2.700 2.868 . 0 0 "[ . 1 . 2]" 1
779 1 65 GLU H 3 68 LEU MD1 . . 5.500 4.426 3.147 5.557 0.057 12 0 "[ . 1 . 2]" 1
780 1 65 GLU H 3 68 LEU QD . . 4.170 3.187 2.927 3.457 . 0 0 "[ . 1 . 2]" 1
781 1 65 GLU H 3 68 LEU MD2 . . 5.500 3.578 3.026 5.521 0.021 6 0 "[ . 1 . 2]" 1
782 1 65 GLU HA 1 65 GLU HG3 . . 4.000 3.135 2.938 3.699 . 0 0 "[ . 1 . 2]" 1
783 1 65 GLU HA 1 68 LEU H . . 4.610 3.901 3.170 4.622 0.012 9 0 "[ . 1 . 2]" 1
784 1 65 GLU HA 1 68 LEU QD . . 3.810 2.466 1.786 3.811 0.001 17 0 "[ . 1 . 2]" 1
785 1 65 GLU HB2 1 66 LYS H . . 4.340 2.827 2.559 3.158 . 0 0 "[ . 1 . 2]" 1
786 1 65 GLU HB3 1 66 LYS H . . 4.540 3.645 3.405 3.866 . 0 0 "[ . 1 . 2]" 1
787 1 65 GLU HG2 1 66 LYS H . . 5.100 5.049 4.508 5.128 0.028 7 0 "[ . 1 . 2]" 1
788 1 65 GLU HG2 3 68 LEU QD . . 4.140 2.466 2.131 2.930 . 0 0 "[ . 1 . 2]" 1
789 1 65 GLU HG2 3 68 LEU HG . . 4.540 4.017 3.068 4.626 0.086 13 0 "[ . 1 . 2]" 1
790 1 65 GLU HG3 1 66 LYS H . . 4.830 4.595 4.317 4.919 0.089 5 0 "[ . 1 . 2]" 1
791 1 65 GLU HG3 3 68 LEU HG . . 4.400 3.974 2.359 4.474 0.074 16 0 "[ . 1 . 2]" 1
792 1 66 LYS H 1 66 LYS HB2 . . 3.850 2.686 2.140 3.734 . 0 0 "[ . 1 . 2]" 1
793 1 66 LYS H 1 66 LYS HB3 . . 3.740 3.623 2.681 3.740 . 5 0 "[ . 1 . 2]" 1
794 1 66 LYS H 1 66 LYS QD . . 4.450 3.288 2.758 3.837 . 0 0 "[ . 1 . 2]" 1
795 1 66 LYS H 1 66 LYS QE . . 5.210 4.118 2.443 5.166 . 0 0 "[ . 1 . 2]" 1
796 1 66 LYS H 1 66 LYS HG2 . . 4.100 2.532 2.106 4.003 . 0 0 "[ . 1 . 2]" 1
797 1 66 LYS H 1 66 LYS HG3 . . 4.130 3.782 2.479 4.194 0.064 14 0 "[ . 1 . 2]" 1
798 1 66 LYS H 1 67 CYS H . . 3.430 2.522 2.317 2.694 . 0 0 "[ . 1 . 2]" 1
799 1 66 LYS HA 1 66 LYS QD . . 3.610 2.289 1.859 3.649 0.039 6 0 "[ . 1 . 2]" 1
800 1 66 LYS HA 1 66 LYS HG3 . . 3.980 3.739 2.652 3.974 . 0 0 "[ . 1 . 2]" 1
801 1 66 LYS HB2 1 66 LYS QD . . 3.400 3.265 2.324 3.483 0.083 2 0 "[ . 1 . 2]" 1
802 1 66 LYS HB2 1 67 CYS H . . 4.600 3.003 2.575 4.062 . 0 0 "[ . 1 . 2]" 1
803 1 66 LYS HB3 1 66 LYS QD . . 3.520 2.643 2.366 3.550 0.030 14 0 "[ . 1 . 2]" 1
804 1 66 LYS HB3 1 66 LYS QE . . 3.980 3.766 2.087 4.134 0.154 6 0 "[ . 1 . 2]" 1
805 1 66 LYS QD 1 66 LYS HG2 . . 2.400 2.323 2.123 2.393 . 0 0 "[ . 1 . 2]" 1
806 1 66 LYS QD 1 66 LYS HG3 . . 2.400 2.342 2.166 2.409 0.009 14 0 "[ . 1 . 2]" 1
807 1 66 LYS QE 1 66 LYS HG2 . . 3.300 2.599 2.192 3.322 0.022 3 0 "[ . 1 . 2]" 1
808 1 66 LYS QE 1 66 LYS HG3 . . 3.300 2.452 2.306 3.309 0.009 2 0 "[ . 1 . 2]" 1
809 1 66 LYS HG3 1 67 CYS H . . 5.490 5.049 2.716 5.505 0.015 13 0 "[ . 1 . 2]" 1
810 1 67 CYS CB 3 38 CYS CB . . 3.990 3.914 3.581 4.089 0.099 8 0 "[ . 1 . 2]" 1
811 1 67 CYS CB 3 38 CYS SG . . 3.100 3.068 3.032 3.109 0.009 14 0 "[ . 1 . 2]" 1
812 1 67 CYS H 1 67 CYS HB2 . . 3.900 2.557 2.366 2.936 . 0 0 "[ . 1 . 2]" 1
813 1 67 CYS H 1 67 CYS HB3 . . 3.970 2.705 2.440 3.648 . 0 0 "[ . 1 . 2]" 1
814 1 67 CYS H 1 68 LEU H . . 3.920 2.745 2.371 3.121 . 0 0 "[ . 1 . 2]" 1
815 1 67 CYS H 1 70 LYS QD . . 4.990 4.612 3.543 5.091 0.101 15 0 "[ . 1 . 2]" 1
816 1 67 CYS H 1 70 LYS QG . . 4.360 4.344 3.822 4.520 0.160 13 0 "[ . 1 . 2]" 1
817 1 67 CYS H 3 64 LEU MD1 . . 4.270 4.201 3.782 4.320 0.050 16 0 "[ . 1 . 2]" 1
818 1 67 CYS HA 1 70 LYS H . . 4.690 3.626 2.981 4.711 0.021 13 0 "[ . 1 . 2]" 1
819 1 67 CYS HB2 1 68 LEU H . . 5.380 3.948 3.062 4.431 . 0 0 "[ . 1 . 2]" 1
820 1 67 CYS HB3 1 68 LEU H . . 5.490 3.011 2.417 4.222 . 0 0 "[ . 1 . 2]" 1
821 1 67 CYS SG 3 38 CYS CB . . 3.100 3.054 3.017 3.115 0.015 12 0 "[ . 1 . 2]" 1
822 1 67 CYS SG 3 38 CYS SG . . 2.100 2.038 2.027 2.052 . 0 0 "[ . 1 . 2]" 1
823 1 68 LEU H 1 68 LEU HB2 . . 4.160 2.930 1.971 3.698 . 0 0 "[ . 1 . 2]" 1
824 1 68 LEU H 1 68 LEU QB . . 3.650 2.481 1.911 2.745 . 0 0 "[ . 1 . 2]" 1
825 1 68 LEU H 1 68 LEU HB3 . . 4.160 3.152 2.354 3.712 . 0 0 "[ . 1 . 2]" 1
826 1 68 LEU H 1 68 LEU MD1 . . 4.090 3.395 1.735 4.171 0.081 17 0 "[ . 1 . 2]" 1
827 1 68 LEU H 1 68 LEU MD2 . . 4.090 2.929 1.767 4.106 0.016 6 0 "[ . 1 . 2]" 1
828 1 68 LEU H 1 68 LEU HG . . 4.180 3.445 2.243 4.268 0.088 6 0 "[ . 1 . 2]" 1
829 1 68 LEU H 1 69 ASN H . . 4.240 2.815 2.501 4.322 0.082 13 0 "[ . 1 . 2]" 1
830 1 68 LEU H 3 64 LEU MD2 . . 4.940 4.967 4.806 5.007 0.067 4 0 "[ . 1 . 2]" 1
831 1 68 LEU HA 1 68 LEU QD . . 3.960 2.651 1.902 3.422 . 0 0 "[ . 1 . 2]" 1
832 1 68 LEU HA 3 61 GLN HE21 . . 4.740 3.755 2.203 4.779 0.039 3 0 "[ . 1 . 2]" 1
833 1 68 LEU HA 3 64 LEU MD1 . . 4.820 3.013 2.293 3.737 . 0 0 "[ . 1 . 2]" 1
834 1 68 LEU QB 1 68 LEU QD . . 2.670 1.987 1.892 2.079 . 0 0 "[ . 1 . 2]" 1
835 1 68 LEU QB 1 68 LEU HG . . 2.410 2.269 2.116 2.446 0.036 15 0 "[ . 1 . 2]" 1
836 1 68 LEU QB 4 29 PRO QB . . 5.180 4.299 3.099 5.233 0.053 8 0 "[ . 1 . 2]" 1
837 1 68 LEU HB2 1 69 ASN H . . 4.430 3.342 2.315 4.421 . 0 0 "[ . 1 . 2]" 1
838 1 68 LEU HB2 3 61 GLN HE22 . . 5.500 3.679 1.829 5.516 0.016 3 0 "[ . 1 . 2]" 1
839 1 68 LEU HB3 1 69 ASN H . . 4.430 3.668 2.736 4.421 . 0 0 "[ . 1 . 2]" 1
840 1 68 LEU HB3 3 61 GLN HE22 . . 5.500 3.524 2.524 4.881 . 0 0 "[ . 1 . 2]" 1
841 1 68 LEU QD 1 69 ASN H . . 4.240 3.369 2.409 3.930 . 0 0 "[ . 1 . 2]" 1
842 1 68 LEU QD 3 61 GLN HA . . 3.770 2.241 1.865 3.187 . 0 0 "[ . 1 . 2]" 1
843 1 68 LEU QD 3 61 GLN QB . . 3.750 2.470 2.133 2.919 . 0 0 "[ . 1 . 2]" 1
844 1 68 LEU QD 3 61 GLN HE21 . . 4.590 3.043 1.808 4.127 . 0 0 "[ . 1 . 2]" 1
845 1 68 LEU QD 3 61 GLN HE22 . . 4.220 2.858 2.154 3.642 . 0 0 "[ . 1 . 2]" 1
846 1 68 LEU QD 3 61 GLN QG . . 4.550 3.402 3.069 3.698 . 0 0 "[ . 1 . 2]" 1
847 1 68 LEU QD 3 64 LEU H . . 4.690 4.071 3.657 4.503 . 0 0 "[ . 1 . 2]" 1
848 1 68 LEU QD 3 64 LEU HA . . 4.640 4.502 3.975 4.693 0.053 6 0 "[ . 1 . 2]" 1
849 1 68 LEU QD 3 64 LEU HB2 . . 3.840 2.281 1.909 2.600 . 0 0 "[ . 1 . 2]" 1
850 1 68 LEU QD 3 65 GLU H . . 4.170 3.223 2.789 3.789 . 0 0 "[ . 1 . 2]" 1
851 1 68 LEU QD 3 65 GLU HG2 . . 4.140 2.670 2.194 3.591 . 0 0 "[ . 1 . 2]" 1
852 1 68 LEU QD 4 29 PRO QB . . 4.850 3.732 2.489 4.877 0.027 9 0 "[ . 1 . 2]" 1
853 1 68 LEU QD 4 29 PRO QD . . 4.850 4.882 3.550 5.013 0.163 1 0 "[ . 1 . 2]" 1
854 1 68 LEU QD 4 29 PRO QG . . 5.110 3.943 2.118 4.926 . 0 0 "[ . 1 . 2]" 1
855 1 68 LEU QD 4 31 PHE QE . . 3.610 3.199 1.907 3.668 0.058 16 0 "[ . 1 . 2]" 1
856 1 68 LEU MD1 3 61 GLN HE22 . . 5.500 3.164 2.158 4.651 . 0 0 "[ . 1 . 2]" 1
857 1 68 LEU MD1 3 65 GLU H . . 5.500 4.319 3.311 5.564 0.064 12 0 "[ . 1 . 2]" 1
858 1 68 LEU MD2 3 61 GLN HE22 . . 5.500 3.977 2.298 4.522 . 0 0 "[ . 1 . 2]" 1
859 1 68 LEU MD2 3 65 GLU H . . 5.500 3.739 2.804 5.387 . 0 0 "[ . 1 . 2]" 1
860 1 68 LEU HG 3 61 GLN HE22 . . 5.500 4.667 2.842 5.505 0.005 10 0 "[ . 1 . 2]" 1
861 1 68 LEU HG 3 65 GLU HG2 . . 4.540 4.226 3.082 4.625 0.085 15 0 "[ . 1 . 2]" 1
862 1 68 LEU HG 3 65 GLU HG3 . . 4.400 4.020 2.952 4.502 0.102 15 0 "[ . 1 . 2]" 1
863 1 69 ASN H 1 69 ASN HB2 . . 4.140 2.745 2.444 3.411 . 0 0 "[ . 1 . 2]" 1
864 1 69 ASN H 1 69 ASN QB . . 3.610 2.470 2.244 3.081 . 0 0 "[ . 1 . 2]" 1
865 1 69 ASN H 1 69 ASN HB3 . . 4.140 3.051 2.399 3.871 . 0 0 "[ . 1 . 2]" 1
866 1 69 ASN H 1 70 LYS H . . 4.330 2.424 2.050 3.451 . 0 0 "[ . 1 . 2]" 1
867 1 69 ASN HA 1 69 ASN HD21 . . 4.290 3.042 1.951 4.340 0.050 5 0 "[ . 1 . 2]" 1
868 1 69 ASN HA 1 69 ASN HD22 . . 4.290 3.969 3.567 4.432 0.142 5 0 "[ . 1 . 2]" 1
869 1 69 ASN QB 1 70 LYS H . . 4.350 2.789 1.883 3.992 . 0 0 "[ . 1 . 2]" 1
870 1 69 ASN QB 1 70 LYS QB . . 4.920 4.345 3.346 4.891 . 0 0 "[ . 1 . 2]" 1
871 1 69 ASN HB2 1 70 LYS H . . 5.210 3.574 2.263 4.563 . 0 0 "[ . 1 . 2]" 1
872 1 69 ASN HB3 1 70 LYS H . . 5.210 3.183 1.892 4.407 . 0 0 "[ . 1 . 2]" 1
873 1 70 LYS H 1 70 LYS QB . . 3.490 2.686 2.182 3.342 . 0 0 "[ . 1 . 2]" 1
874 1 70 LYS H 1 70 LYS QG . . 4.080 2.635 2.105 4.026 . 0 0 "[ . 1 . 2]" 1
875 1 70 LYS HA 1 70 LYS QD . . 3.920 3.575 1.998 4.210 0.290 8 0 "[ . 1 . 2]" 1
876 1 70 LYS HA 1 70 LYS QE . . 5.500 4.303 2.500 5.610 0.110 1 0 "[ . 1 . 2]" 1
877 1 70 LYS QB 1 70 LYS QE . . 4.340 2.892 1.878 3.870 . 0 0 "[ . 1 . 2]" 1
878 1 70 LYS HB2 1 70 LYS QE . . 5.100 3.533 1.892 4.219 . 0 0 "[ . 1 . 2]" 1
879 1 70 LYS HB3 1 70 LYS QE . . 5.100 3.344 1.944 4.502 . 0 0 "[ . 1 . 2]" 1
880 2 4 GLU H 2 4 GLU HB2 . . 3.520 2.665 2.371 3.596 0.076 19 0 "[ . 1 . 2]" 1
881 2 4 GLU H 2 4 GLU QB . . 3.050 2.443 2.097 2.761 . 0 0 "[ . 1 . 2]" 1
882 2 4 GLU H 2 4 GLU HB3 . . 3.520 3.358 2.320 3.632 0.112 16 0 "[ . 1 . 2]" 1
883 2 4 GLU H 2 4 GLU QG . . 3.680 2.575 1.909 3.803 0.123 18 0 "[ . 1 . 2]" 1
884 2 4 GLU QB 2 4 GLU QG . . 2.340 2.057 1.983 2.092 . 0 0 "[ . 1 . 2]" 1
885 2 5 GLY QA 2 6 ILE H . . 3.160 2.297 2.077 2.910 . 0 0 "[ . 1 . 2]" 1
886 2 6 ILE H 2 6 ILE HB . . 3.400 2.783 2.486 3.515 0.115 7 0 "[ . 1 . 2]" 1
887 2 6 ILE H 2 6 ILE QG . . 3.920 2.753 2.018 3.978 0.058 3 0 "[ . 1 . 2]" 1
888 2 6 ILE H 2 6 ILE MG . . 3.940 3.571 1.890 4.020 0.080 7 0 "[ . 1 . 2]" 1
889 2 6 ILE MD 2 6 ILE MG . . 2.400 1.935 1.861 2.043 . 0 0 "[ . 1 . 2]" 1
890 2 6 ILE MD 2 7 SER H . . 5.150 4.729 3.851 5.267 0.117 18 0 "[ . 1 . 2]" 1
891 2 7 SER QB 2 8 ILE H . . 4.290 3.298 1.996 4.071 . 0 0 "[ . 1 . 2]" 1
892 2 8 ILE H 2 8 ILE HB . . 3.510 3.113 2.534 3.773 0.263 17 0 "[ . 1 . 2]" 1
893 2 8 ILE H 2 8 ILE QG . . 4.220 2.703 1.902 4.124 . 0 0 "[ . 1 . 2]" 1
894 2 8 ILE H 2 8 ILE MG . . 4.080 3.112 1.905 4.095 0.015 3 0 "[ . 1 . 2]" 1
895 2 8 ILE HA 2 8 ILE MD . . 4.380 3.161 1.899 4.222 . 0 0 "[ . 1 . 2]" 1
896 2 8 ILE HA 2 9 TYR H . . 2.860 2.380 1.991 2.922 0.062 17 0 "[ . 1 . 2]" 1
897 2 8 ILE HB 2 9 TYR H . . 5.500 3.364 1.820 4.396 . 0 0 "[ . 1 . 2]" 1
898 2 8 ILE HB 2 9 TYR QD . . 5.500 4.825 3.095 5.688 0.188 4 0 "[ . 1 . 2]" 1
899 2 8 ILE MD 2 8 ILE MG . . 2.400 1.970 1.842 2.066 . 0 0 "[ . 1 . 2]" 1
900 2 8 ILE MD 2 9 TYR QD . . 5.500 4.498 3.282 5.070 . 0 0 "[ . 1 . 2]" 1
901 2 8 ILE MD 2 9 TYR QE . . 5.500 5.479 4.662 5.669 0.169 11 0 "[ . 1 . 2]" 1
902 2 8 ILE QG 2 9 TYR H . . 4.540 3.578 1.841 4.662 0.122 14 0 "[ . 1 . 2]" 1
903 2 8 ILE MG 2 9 TYR H . . 3.770 3.072 1.873 3.804 0.034 20 0 "[ . 1 . 2]" 1
904 2 9 TYR H 2 9 TYR HB2 . . 3.320 2.665 2.431 2.982 . 0 0 "[ . 1 . 2]" 1
905 2 9 TYR H 2 9 TYR HB3 . . 3.470 3.540 3.479 3.630 0.160 14 0 "[ . 1 . 2]" 1
906 2 9 TYR H 2 9 TYR QD . . 4.030 2.456 1.892 3.037 . 0 0 "[ . 1 . 2]" 1
907 2 9 TYR HA 2 9 TYR QD . . 2.880 2.758 2.259 2.945 0.065 15 0 "[ . 1 . 2]" 1
908 2 9 TYR HB2 3 25 VAL QG . . 3.410 3.501 3.195 3.605 0.195 8 0 "[ . 1 . 2]" 1
909 2 9 TYR HB3 3 25 VAL MG1 . . 2.980 2.435 1.986 3.109 0.129 20 0 "[ . 1 . 2]" 1
910 2 9 TYR HB3 3 25 VAL MG2 . . 2.980 3.093 2.942 3.187 0.207 6 0 "[ . 1 . 2]" 1
911 2 9 TYR QD 2 10 THR H . . 4.860 4.077 2.790 4.764 . 0 0 "[ . 1 . 2]" 1
912 2 9 TYR QD 3 25 VAL MG1 . . 2.880 1.970 1.706 2.638 . 0 0 "[ . 1 . 2]" 1
913 2 9 TYR QD 3 25 VAL MG2 . . 2.880 2.492 1.798 2.919 0.039 4 0 "[ . 1 . 2]" 1
914 2 9 TYR QE 3 25 VAL MG1 . . 3.170 2.975 2.353 3.268 0.098 6 0 "[ . 1 . 2]" 1
915 2 9 TYR QE 3 25 VAL QG . . 2.700 2.634 2.304 2.771 0.071 4 0 "[ . 1 . 2]" 1
916 2 9 TYR QE 3 25 VAL MG2 . . 3.170 3.037 2.652 3.344 0.174 20 0 "[ . 1 . 2]" 1
917 2 10 THR HB 2 11 SER H . . 5.010 3.886 1.855 4.524 . 0 0 "[ . 1 . 2]" 1
918 2 12 ASP QB 2 13 ASN H . . 4.240 2.891 1.837 3.954 . 0 0 "[ . 1 . 2]" 1
919 2 14 TYR H 2 14 TYR QD . . 4.570 3.897 2.828 4.581 0.011 18 0 "[ . 1 . 2]" 1
920 2 14 TYR H 2 15 THR H . . 4.300 3.480 1.775 4.376 0.076 16 0 "[ . 1 . 2]" 1
921 2 14 TYR HA 2 14 TYR QD . . 2.940 2.518 2.107 3.029 0.089 20 0 "[ . 1 . 2]" 1
922 2 14 TYR HB2 2 15 THR H . . 3.930 3.766 3.145 4.143 0.213 9 0 "[ . 1 . 2]" 1
923 2 14 TYR HB3 2 15 THR H . . 5.500 2.872 1.727 4.091 . 0 0 "[ . 1 . 2]" 1
924 2 14 TYR HB3 2 16 GLU H . . 4.940 4.863 3.548 5.116 0.176 10 0 "[ . 1 . 2]" 1
925 2 14 TYR QD 2 15 THR H . . 4.360 3.552 2.851 4.455 0.095 4 0 "[ . 1 . 2]" 1
926 2 15 THR H 2 15 THR HB . . 3.890 3.153 2.530 3.901 0.011 13 0 "[ . 1 . 2]" 1
927 2 15 THR H 2 15 THR MG . . 3.810 3.529 1.788 3.954 0.144 9 0 "[ . 1 . 2]" 1
928 2 15 THR H 2 16 GLU H . . 4.170 3.663 1.890 4.187 0.017 1 0 "[ . 1 . 2]" 1
929 2 15 THR MG 2 16 GLU H . . 4.220 3.590 2.227 4.261 0.041 12 0 "[ . 1 . 2]" 1
930 2 15 THR MG 2 17 GLU H . . 4.840 4.386 2.473 5.063 0.223 20 0 "[ . 1 . 2]" 1
931 2 16 GLU H 2 16 GLU HB2 . . 3.510 2.810 2.242 3.728 0.218 13 0 "[ . 1 . 2]" 1
932 2 16 GLU H 2 16 GLU HB3 . . 3.310 3.247 2.490 3.546 0.236 17 0 "[ . 1 . 2]" 1
933 2 16 GLU H 2 16 GLU QG . . 3.660 2.693 1.928 3.932 0.272 16 0 "[ . 1 . 2]" 1
934 2 16 GLU HB2 2 16 GLU QG . . 2.550 2.250 2.141 2.413 . 0 0 "[ . 1 . 2]" 1
935 2 16 GLU HB3 2 16 GLU QG . . 2.650 2.335 2.161 2.445 . 0 0 "[ . 1 . 2]" 1
936 2 17 GLU HA 2 18 MET H . . 3.110 2.466 2.090 3.359 0.249 8 0 "[ . 1 . 2]" 1
937 2 17 GLU HB2 2 17 GLU QG . . 2.650 2.310 2.157 2.384 . 0 0 "[ . 1 . 2]" 1
938 2 17 GLU HB3 2 17 GLU QG . . 2.650 2.305 2.163 2.399 . 0 0 "[ . 1 . 2]" 1
939 2 18 MET H 2 18 MET QB . . 3.290 2.728 2.247 3.365 0.075 1 0 "[ . 1 . 2]" 1
940 2 18 MET H 2 18 MET QG . . 4.270 3.362 2.117 4.389 0.119 11 0 "[ . 1 . 2]" 1
941 2 18 MET QG 2 19 GLY H . . 4.890 3.504 2.334 4.330 . 0 0 "[ . 1 . 2]" 1
942 2 22 ASP H 2 22 ASP HB2 . . 4.150 3.539 2.595 4.005 . 0 0 "[ . 1 . 2]" 1
943 2 22 ASP H 2 22 ASP HB3 . . 4.150 3.135 2.533 3.718 . 0 0 "[ . 1 . 2]" 1
944 2 22 ASP HB2 2 23 TYR H . . 5.500 3.528 2.182 4.542 . 0 0 "[ . 1 . 2]" 1
945 2 22 ASP HB3 2 23 TYR H . . 5.500 3.918 2.810 4.489 . 0 0 "[ . 1 . 2]" 1
946 2 23 TYR H 2 23 TYR HB2 . . 3.410 2.513 1.998 3.288 . 0 0 "[ . 1 . 2]" 1
947 2 23 TYR H 2 23 TYR HB3 . . 3.530 2.632 2.352 3.450 . 0 0 "[ . 1 . 2]" 1
948 2 23 TYR H 2 23 TYR QD . . 3.990 4.066 3.344 4.247 0.257 2 0 "[ . 1 . 2]" 1
949 2 23 TYR H 2 24 ASP H . . 3.630 2.232 1.729 3.337 . 0 0 "[ . 1 . 2]" 1
950 2 23 TYR HA 2 23 TYR QD . . 3.220 3.037 2.681 3.238 0.018 4 0 "[ . 1 . 2]" 1
951 2 23 TYR HB2 2 24 ASP H . . 4.400 3.551 2.584 4.121 . 0 0 "[ . 1 . 2]" 1
952 2 23 TYR HB3 2 24 ASP H . . 4.210 2.459 1.910 3.240 . 0 0 "[ . 1 . 2]" 1
953 2 23 TYR QD 2 24 ASP HB2 . . 5.500 2.908 1.990 3.671 . 0 0 "[ . 1 . 2]" 1
954 2 23 TYR QD 2 24 ASP HB3 . . 5.500 3.379 2.762 4.030 . 0 0 "[ . 1 . 2]" 1
955 2 23 TYR QE 2 24 ASP HB2 . . 5.500 4.632 3.521 5.544 0.044 3 0 "[ . 1 . 2]" 1
956 2 23 TYR QE 2 24 ASP HB3 . . 5.500 5.215 4.527 5.618 0.118 3 0 "[ . 1 . 2]" 1
957 2 25 SER H 2 25 SER QB . . 3.610 2.799 2.250 3.384 . 0 0 "[ . 1 . 2]" 1
958 2 26 MET H 2 27 LYS QG . . 4.930 4.307 3.015 4.989 0.059 1 0 "[ . 1 . 2]" 1
959 2 26 MET HA 2 27 LYS H . . 3.290 2.401 2.158 3.431 0.141 7 0 "[ . 1 . 2]" 1
960 2 27 LYS H 2 27 LYS HB2 . . 3.850 3.018 2.611 3.885 0.035 14 0 "[ . 1 . 2]" 1
961 2 27 LYS H 2 27 LYS QB . . 3.190 2.807 2.564 3.205 0.015 11 0 "[ . 1 . 2]" 1
962 2 27 LYS H 2 27 LYS HB3 . . 3.850 3.698 3.091 3.917 0.067 7 0 "[ . 1 . 2]" 1
963 2 27 LYS H 2 27 LYS QG . . 3.990 3.072 2.332 4.090 0.100 1 0 "[ . 1 . 2]" 1
964 2 27 LYS HA 2 27 LYS QD . . 5.060 4.112 3.962 4.283 . 0 0 "[ . 1 . 2]" 1
965 2 27 LYS HA 2 27 LYS QE . . 5.500 4.735 3.850 5.610 0.110 16 0 "[ . 1 . 2]" 1
966 2 27 LYS HA 2 28 GLU H . . 2.750 2.522 2.132 2.926 0.176 19 0 "[ . 1 . 2]" 1
967 2 27 LYS QB 2 27 LYS QD . . 2.510 2.187 2.062 2.344 . 0 0 "[ . 1 . 2]" 1
968 2 27 LYS QB 2 27 LYS QE . . 4.430 3.036 1.904 3.669 . 0 0 "[ . 1 . 2]" 1
969 2 27 LYS HB2 2 27 LYS QD . . 2.890 2.490 2.321 2.930 0.040 7 0 "[ . 1 . 2]" 1
970 2 27 LYS HB2 2 28 GLU H . . 5.500 3.286 2.038 4.180 . 0 0 "[ . 1 . 2]" 1
971 2 27 LYS HB3 2 27 LYS QD . . 2.890 2.467 2.242 2.903 0.013 17 0 "[ . 1 . 2]" 1
972 2 27 LYS HB3 2 28 GLU H . . 5.500 2.730 1.684 4.306 . 0 0 "[ . 1 . 2]" 1
973 2 27 LYS QG 2 28 GLU H . . 4.630 3.682 1.778 4.467 . 0 0 "[ . 1 . 2]" 1
974 2 28 GLU H 2 29 PRO HD2 . . 4.530 4.539 4.260 4.669 0.139 20 0 "[ . 1 . 2]" 1
975 2 28 GLU H 2 29 PRO QD . . 3.970 3.916 3.295 4.085 0.115 7 0 "[ . 1 . 2]" 1
976 2 28 GLU H 2 29 PRO HD3 . . 4.530 4.318 3.375 4.617 0.087 12 0 "[ . 1 . 2]" 1
977 2 29 PRO HA 2 30 ALA H . . 2.800 2.210 1.989 2.605 . 0 0 "[ . 1 . 2]" 1
978 2 29 PRO QB 2 30 ALA H . . 3.770 2.862 1.837 3.818 0.048 6 0 "[ . 1 . 2]" 1
979 2 29 PRO QB 2 31 PHE H . . 5.340 3.592 1.782 5.199 . 0 0 "[ . 1 . 2]" 1
980 2 29 PRO QB 3 68 LEU QB . . 5.180 4.826 3.546 5.255 0.075 6 0 "[ . 1 . 2]" 1
981 2 29 PRO QB 3 68 LEU QD . . 4.850 3.961 2.767 4.873 0.023 20 0 "[ . 1 . 2]" 1
982 2 29 PRO QD 3 68 LEU QD . . 4.850 4.855 4.048 5.069 0.219 19 0 "[ . 1 . 2]" 1
983 2 29 PRO QG 2 30 ALA H . . 4.170 4.142 3.392 4.371 0.201 14 0 "[ . 1 . 2]" 1
984 2 29 PRO QG 3 68 LEU QD . . 5.110 3.846 3.213 4.845 . 0 0 "[ . 1 . 2]" 1
985 2 30 ALA H 2 30 ALA MB . . 3.040 2.482 2.310 2.745 . 0 0 "[ . 1 . 2]" 1
986 2 30 ALA HA 2 31 PHE H . . 2.920 2.492 2.122 3.048 0.128 7 0 "[ . 1 . 2]" 1
987 2 30 ALA MB 2 31 PHE H . . 3.620 3.363 2.760 3.624 0.004 5 0 "[ . 1 . 2]" 1
988 2 31 PHE HA 2 31 PHE QD . . 3.440 2.713 2.375 3.049 . 0 0 "[ . 1 . 2]" 1
989 2 31 PHE HB2 2 32 ARG H . . 5.500 3.449 2.024 4.505 . 0 0 "[ . 1 . 2]" 1
990 2 31 PHE HB3 2 32 ARG H . . 5.500 3.826 2.781 4.426 . 0 0 "[ . 1 . 2]" 1
991 2 31 PHE QD 2 32 ARG H . . 4.860 4.340 3.601 4.850 . 0 0 "[ . 1 . 2]" 1
992 2 31 PHE QE 3 68 LEU QD . . 3.610 3.358 2.043 3.701 0.091 14 0 "[ . 1 . 2]" 1
993 2 32 ARG H 2 32 ARG QB . . 3.560 2.600 2.235 3.334 . 0 0 "[ . 1 . 2]" 1
994 2 32 ARG H 2 32 ARG QG . . 4.050 3.265 2.194 4.150 0.100 14 0 "[ . 1 . 2]" 1
995 2 32 ARG HA 2 33 GLU H . . 3.180 2.486 2.038 3.173 . 0 0 "[ . 1 . 2]" 1
996 2 32 ARG QB 2 33 GLU H . . 4.480 2.776 1.714 3.890 . 0 0 "[ . 1 . 2]" 1
997 2 32 ARG QD 2 33 GLU H . . 5.140 4.432 3.272 5.234 0.094 10 0 "[ . 1 . 2]" 1
998 2 32 ARG QG 2 33 GLU H . . 4.730 3.668 1.930 4.780 0.050 4 0 "[ . 1 . 2]" 1
999 2 33 GLU H 2 33 GLU HB2 . . 4.180 3.275 2.475 3.955 . 0 0 "[ . 1 . 2]" 1
1000 2 33 GLU H 2 33 GLU QB . . 3.540 2.808 2.397 3.432 . 0 0 "[ . 1 . 2]" 1
1001 2 33 GLU H 2 33 GLU HB3 . . 4.180 3.325 2.577 4.128 . 0 0 "[ . 1 . 2]" 1
1002 2 33 GLU H 2 33 GLU QG . . 4.460 2.884 1.998 4.176 . 0 0 "[ . 1 . 2]" 1
1003 2 33 GLU HA 2 34 GLU H . . 3.080 2.251 1.971 2.768 . 0 0 "[ . 1 . 2]" 1
1004 2 33 GLU QB 2 33 GLU QG . . 2.300 2.070 1.994 2.104 . 0 0 "[ . 1 . 2]" 1
1005 2 33 GLU QB 2 34 GLU H . . 3.310 2.743 1.805 3.359 0.049 3 0 "[ . 1 . 2]" 1
1006 2 33 GLU HB2 2 34 GLU H . . 3.810 3.378 1.813 3.974 0.164 6 0 "[ . 1 . 2]" 1
1007 2 33 GLU HB3 2 34 GLU H . . 3.810 3.252 2.164 3.911 0.101 17 0 "[ . 1 . 2]" 1
1008 2 33 GLU QG 2 34 GLU H . . 4.290 3.476 1.588 4.318 0.028 2 0 "[ . 1 . 2]" 1
1009 2 34 GLU QB 2 34 GLU QG . . 2.310 2.051 1.993 2.094 . 0 0 "[ . 1 . 2]" 1
1010 2 38 PHE H 2 38 PHE QD . . 5.030 3.554 1.977 4.577 . 0 0 "[ . 1 . 2]" 1
1011 2 38 PHE HA 2 38 PHE QD . . 3.640 3.059 2.668 3.731 0.091 15 0 "[ . 1 . 2]" 1
1012 2 40 LYS HA 2 40 LYS QE . . 5.500 4.935 3.883 5.478 . 0 0 "[ . 1 . 2]" 1
1013 2 40 LYS HB2 2 40 LYS QD . . 2.570 2.386 2.333 2.696 0.126 9 0 "[ . 1 . 2]" 1
1014 2 40 LYS HB3 2 40 LYS QD . . 2.570 2.410 2.291 2.683 0.113 11 0 "[ . 1 . 2]" 1
1015 3 7 LEU HA 3 7 LEU QD . . 3.450 2.640 2.013 3.453 0.003 6 0 "[ . 1 . 2]" 1
1016 3 8 SER HA 3 9 TYR QD . . 4.180 3.807 2.890 4.262 0.082 8 0 "[ . 1 . 2]" 1
1017 3 8 SER QB 3 9 TYR QD . . 4.220 3.872 2.349 4.348 0.128 11 0 "[ . 1 . 2]" 1
1018 3 9 TYR HA 3 9 TYR QD . . 3.500 2.884 2.135 3.656 0.156 12 0 "[ . 1 . 2]" 1
1019 3 10 ARG HA 3 10 ARG QD . . 4.090 3.618 2.061 4.241 0.151 19 0 "[ . 1 . 2]" 1
1020 3 10 ARG HA 3 10 ARG QG . . 3.720 2.738 2.410 3.484 . 0 0 "[ . 1 . 2]" 1
1021 3 10 ARG HB2 3 10 ARG QD . . 3.330 2.669 2.325 3.403 0.073 7 0 "[ . 1 . 2]" 1
1022 3 10 ARG HB3 3 10 ARG QD . . 3.330 2.603 2.178 3.409 0.079 1 0 "[ . 1 . 2]" 1
1023 3 11 CYS CB 3 36 CYS CB . . 3.990 3.951 3.530 4.101 0.111 16 0 "[ . 1 . 2]" 1
1024 3 11 CYS CB 3 36 CYS SG . . 3.100 3.064 3.000 3.142 0.042 3 0 "[ . 1 . 2]" 1
1025 3 11 CYS HA 3 12 PRO QD . . 3.730 2.171 1.908 2.477 . 0 0 "[ . 1 . 2]" 1
1026 3 11 CYS QB 3 12 PRO QD . . 4.070 2.227 1.866 3.320 . 0 0 "[ . 1 . 2]" 1
1027 3 11 CYS HB2 3 12 PRO QD . . 4.750 3.534 3.281 3.815 . 0 0 "[ . 1 . 2]" 1
1028 3 11 CYS HB3 3 12 PRO QD . . 4.750 2.290 1.876 3.815 . 0 0 "[ . 1 . 2]" 1
1029 3 11 CYS SG 3 36 CYS CB . . 3.100 3.074 3.000 3.125 0.025 3 0 "[ . 1 . 2]" 1
1030 3 11 CYS SG 3 36 CYS SG . . 2.100 2.034 2.013 2.058 . 0 0 "[ . 1 . 2]" 1
1031 3 12 PRO HA 4 14 TYR QE . . 3.700 3.762 3.474 3.947 0.247 11 0 "[ . 1 . 2]" 1
1032 3 12 PRO HB2 3 31 LEU MD1 . . 4.490 3.625 2.249 4.653 0.163 15 0 "[ . 1 . 2]" 1
1033 3 12 PRO HB2 3 31 LEU MD2 . . 4.490 3.829 2.287 4.581 0.091 11 0 "[ . 1 . 2]" 1
1034 3 12 PRO HB2 3 33 THR MG . . 5.330 4.600 3.894 5.492 0.162 16 0 "[ . 1 . 2]" 1
1035 3 12 PRO HB2 4 14 TYR QD . . 3.270 3.393 3.162 3.605 0.335 20 0 "[ . 1 . 2]" 1
1036 3 12 PRO HB2 4 14 TYR QE . . 3.120 2.573 1.969 3.195 0.075 13 0 "[ . 1 . 2]" 1
1037 3 12 PRO HB3 3 13 CYS H . . 4.450 3.978 3.559 4.334 . 0 0 "[ . 1 . 2]" 1
1038 3 12 PRO HB3 3 31 LEU QD . . 4.050 2.988 2.118 3.435 . 0 0 "[ . 1 . 2]" 1
1039 3 12 PRO HB3 4 14 TYR QD . . 3.230 2.097 1.771 2.827 . 0 0 "[ . 1 . 2]" 1
1040 3 12 PRO HB3 4 14 TYR QE . . 3.070 2.133 1.815 3.271 0.201 18 0 "[ . 1 . 2]" 1
1041 3 12 PRO QD 3 13 CYS H . . 4.580 2.840 2.338 3.424 . 0 0 "[ . 1 . 2]" 1
1042 3 12 PRO QD 3 31 LEU QD . . 4.230 3.354 2.364 4.040 . 0 0 "[ . 1 . 2]" 1
1043 3 12 PRO QD 3 33 THR MG . . 4.210 2.140 1.850 3.164 . 0 0 "[ . 1 . 2]" 1
1044 3 12 PRO QD 4 14 TYR QE . . 5.410 4.456 3.928 5.009 . 0 0 "[ . 1 . 2]" 1
1045 3 12 PRO QG 3 31 LEU QD . . 3.940 2.179 1.791 3.435 . 0 0 "[ . 1 . 2]" 1
1046 3 12 PRO QG 3 33 THR MG . . 4.200 2.672 1.952 3.503 . 0 0 "[ . 1 . 2]" 1
1047 3 12 PRO QG 4 14 TYR QD . . 5.500 2.897 1.910 4.031 . 0 0 "[ . 1 . 2]" 1
1048 3 12 PRO QG 4 14 TYR QE . . 3.230 3.239 2.839 3.384 0.154 3 0 "[ . 1 . 2]" 1
1049 3 13 CYS CB 3 52 CYS CB . . 3.990 3.635 3.450 3.924 . 0 0 "[ . 1 . 2]" 1
1050 3 13 CYS CB 3 52 CYS SG . . 3.100 3.042 2.956 3.124 0.024 11 0 "[ . 1 . 2]" 1
1051 3 13 CYS SG 3 52 CYS CB . . 3.100 3.054 2.987 3.130 0.030 12 0 "[ . 1 . 2]" 1
1052 3 13 CYS SG 3 52 CYS SG . . 2.100 2.030 2.003 2.060 . 0 0 "[ . 1 . 2]" 1
1053 3 14 ARG HA 3 14 ARG QD . . 4.430 3.957 2.693 4.487 0.057 2 0 "[ . 1 . 2]" 1
1054 3 14 ARG HA 3 14 ARG HG2 . . 3.970 3.014 2.601 3.854 . 0 0 "[ . 1 . 2]" 1
1055 3 14 ARG HA 3 14 ARG HG3 . . 3.970 3.042 2.506 3.803 . 0 0 "[ . 1 . 2]" 1
1056 3 14 ARG QB 3 14 ARG QD . . 3.430 2.251 2.080 2.416 . 0 0 "[ . 1 . 2]" 1
1057 3 14 ARG QB 3 15 PHE QD . . 3.910 2.682 2.003 3.917 0.007 2 0 "[ . 1 . 2]" 1
1058 3 14 ARG QB 3 15 PHE QE . . 4.410 3.619 2.884 4.446 0.036 10 0 "[ . 1 . 2]" 1
1059 3 14 ARG QD 3 15 PHE QE . . 3.960 3.153 2.354 4.005 0.045 6 0 "[ . 1 . 2]" 1
1060 3 14 ARG QG 3 15 PHE QD . . 4.050 3.510 2.104 4.183 0.133 4 0 "[ . 1 . 2]" 1
1061 3 15 PHE H 3 15 PHE QD . . 5.340 3.092 2.639 3.476 . 0 0 "[ . 1 . 2]" 1
1062 3 15 PHE H 3 15 PHE QE . . 5.500 4.888 4.056 5.214 . 0 0 "[ . 1 . 2]" 1
1063 3 15 PHE H 3 16 PHE H . . 5.410 4.261 4.116 4.397 . 0 0 "[ . 1 . 2]" 1
1064 3 15 PHE HA 3 16 PHE H . . 3.440 2.281 2.159 2.488 . 0 0 "[ . 1 . 2]" 1
1065 3 15 PHE HA 3 16 PHE QD . . 4.160 3.819 3.256 4.241 0.081 19 0 "[ . 1 . 2]" 1
1066 3 15 PHE QB 3 16 PHE H . . 4.020 2.914 2.439 3.231 . 0 0 "[ . 1 . 2]" 1
1067 3 15 PHE QD 3 16 PHE H . . 4.250 4.079 3.487 4.308 0.058 8 0 "[ . 1 . 2]" 1
1068 3 16 PHE H 3 16 PHE HB3 . . 3.890 3.131 2.824 3.288 . 0 0 "[ . 1 . 2]" 1
1069 3 16 PHE H 3 16 PHE QD . . 4.220 2.805 2.477 3.009 . 0 0 "[ . 1 . 2]" 1
1070 3 16 PHE H 4 21 GLY QA . . 5.500 4.292 2.360 5.556 0.056 2 0 "[ . 1 . 2]" 1
1071 3 16 PHE HA 3 16 PHE QD . . 3.830 3.732 3.638 3.795 . 0 0 "[ . 1 . 2]" 1
1072 3 16 PHE HB2 3 17 GLU H . . 4.540 2.863 2.562 3.173 . 0 0 "[ . 1 . 2]" 1
1073 3 16 PHE HB2 3 52 CYS HB2 . . 5.500 4.717 2.834 5.603 0.103 19 0 "[ . 1 . 2]" 1
1074 3 16 PHE HB2 3 54 ASP H . . 4.610 3.668 3.306 4.191 . 0 0 "[ . 1 . 2]" 1
1075 3 16 PHE HB2 3 54 ASP HA . . 5.130 3.418 2.525 3.941 . 0 0 "[ . 1 . 2]" 1
1076 3 16 PHE HB3 3 17 GLU H . . 4.630 3.980 3.673 4.266 . 0 0 "[ . 1 . 2]" 1
1077 3 16 PHE HB3 3 54 ASP HA . . 5.310 4.603 3.921 5.176 . 0 0 "[ . 1 . 2]" 1
1078 3 16 PHE QD 3 17 GLU H . . 5.270 3.705 3.375 4.030 . 0 0 "[ . 1 . 2]" 1
1079 3 16 PHE QD 3 18 SER QB . . 4.270 3.667 2.521 4.436 0.166 4 0 "[ . 1 . 2]" 1
1080 3 16 PHE QD 3 52 CYS HB3 . . 5.500 5.040 4.431 5.503 0.003 16 0 "[ . 1 . 2]" 1
1081 3 16 PHE QD 3 53 ILE HA . . 4.490 4.435 3.878 4.661 0.171 13 0 "[ . 1 . 2]" 1
1082 3 16 PHE QD 3 54 ASP H . . 5.500 3.292 2.853 3.513 . 0 0 "[ . 1 . 2]" 1
1083 3 16 PHE QD 3 54 ASP QB . . 4.080 2.119 1.814 3.829 . 0 0 "[ . 1 . 2]" 1
1084 3 16 PHE QD 3 55 PRO QD . . 4.570 4.348 3.831 4.651 0.081 19 0 "[ . 1 . 2]" 1
1085 3 16 PHE QE 3 18 SER HA . . 4.420 4.358 3.879 4.506 0.086 12 0 "[ . 1 . 2]" 1
1086 3 17 GLU H 3 17 GLU HB2 . . 4.180 2.489 2.151 3.030 . 0 0 "[ . 1 . 2]" 1
1087 3 17 GLU H 3 17 GLU HG2 . . 4.750 3.638 2.066 4.742 . 0 0 "[ . 1 . 2]" 1
1088 3 17 GLU H 3 17 GLU HG3 . . 4.750 3.946 2.323 4.597 . 0 0 "[ . 1 . 2]" 1
1089 3 17 GLU H 3 20 VAL QG . . 4.610 4.256 3.473 4.726 0.116 18 0 "[ . 1 . 2]" 1
1090 3 17 GLU H 3 53 ILE HA . . 4.410 2.948 2.035 3.881 . 0 0 "[ . 1 . 2]" 1
1091 3 17 GLU H 3 53 ILE MD . . 5.070 3.689 3.126 4.509 . 0 0 "[ . 1 . 2]" 1
1092 3 17 GLU H 3 54 ASP H . . 5.030 3.884 2.995 5.048 0.018 5 0 "[ . 1 . 2]" 1
1093 3 17 GLU HB2 3 20 VAL QG . . 3.990 2.803 2.191 3.658 . 0 0 "[ . 1 . 2]" 1
1094 3 17 GLU HB3 3 20 VAL QG . . 3.290 2.363 1.809 3.306 0.016 15 0 "[ . 1 . 2]" 1
1095 3 17 GLU HB3 3 53 ILE MG . . 4.830 4.653 3.133 4.953 0.123 2 0 "[ . 1 . 2]" 1
1096 3 17 GLU HG2 3 20 VAL QG . . 3.710 3.206 2.117 3.872 0.162 15 0 "[ . 1 . 2]" 1
1097 3 17 GLU HG3 3 20 VAL QG . . 3.710 3.093 1.946 3.978 0.268 11 0 "[ . 1 . 2]" 1
1098 3 18 SER HA 3 54 ASP H . . 5.210 3.188 2.531 4.085 . 0 0 "[ . 1 . 2]" 1
1099 3 18 SER HA 3 54 ASP HB2 . . 5.500 2.948 1.949 4.584 . 0 0 "[ . 1 . 2]" 1
1100 3 18 SER HA 3 54 ASP QB . . 4.840 2.551 1.753 4.158 . 0 0 "[ . 1 . 2]" 1
1101 3 18 SER HA 3 54 ASP HB3 . . 5.500 2.842 1.988 4.761 . 0 0 "[ . 1 . 2]" 1
1102 3 18 SER HA 3 57 LEU MD1 . . 4.730 2.842 2.101 4.251 . 0 0 "[ . 1 . 2]" 1
1103 3 18 SER HA 3 57 LEU MD2 . . 4.530 3.098 2.170 4.094 . 0 0 "[ . 1 . 2]" 1
1104 3 18 SER QB 3 19 HIS HD2 . . 4.050 3.441 2.354 4.165 0.115 20 0 "[ . 1 . 2]" 1
1105 3 18 SER QB 3 54 ASP H . . 5.270 4.659 3.880 5.270 0.000 18 0 "[ . 1 . 2]" 1
1106 3 18 SER QB 3 54 ASP QB . . 4.720 3.120 2.328 4.477 . 0 0 "[ . 1 . 2]" 1
1107 3 18 SER QB 3 57 LEU MD2 . . 4.140 3.477 1.842 4.163 0.023 5 0 "[ . 1 . 2]" 1
1108 3 19 HIS HA 3 19 HIS HD2 . . 4.200 3.216 2.245 4.344 0.144 13 0 "[ . 1 . 2]" 1
1109 3 19 HIS QB 3 19 HIS HD2 . . 3.370 2.992 2.562 3.269 . 0 0 "[ . 1 . 2]" 1
1110 3 19 HIS QB 3 20 VAL H . . 4.740 3.316 1.863 3.855 . 0 0 "[ . 1 . 2]" 1
1111 3 19 HIS HD2 3 57 LEU MD2 . . 4.460 3.560 2.003 4.507 0.047 12 0 "[ . 1 . 2]" 1
1112 3 20 VAL H 3 20 VAL HB . . 3.690 2.656 2.213 3.669 . 0 0 "[ . 1 . 2]" 1
1113 3 20 VAL H 3 20 VAL QG . . 3.610 2.509 1.960 3.062 . 0 0 "[ . 1 . 2]" 1
1114 3 20 VAL H 4 23 TYR HB3 . . 5.500 4.933 3.035 5.650 0.150 12 0 "[ . 1 . 2]" 1
1115 3 20 VAL HA 3 21 ALA MB . . 5.110 3.939 3.541 4.092 . 0 0 "[ . 1 . 2]" 1
1116 3 20 VAL HB 3 53 ILE MG . . 3.630 3.504 2.605 3.807 0.177 18 0 "[ . 1 . 2]" 1
1117 3 20 VAL HB 3 57 LEU MD1 . . 4.390 3.702 3.007 4.396 0.006 14 0 "[ . 1 . 2]" 1
1118 3 20 VAL HB 3 59 TRP HZ2 . . 4.910 3.495 2.117 4.618 . 0 0 "[ . 1 . 2]" 1
1119 3 20 VAL HB 4 23 TYR HB3 . . 5.500 5.264 4.131 5.753 0.253 18 0 "[ . 1 . 2]" 1
1120 3 20 VAL HB 4 23 TYR QD . . 5.500 4.791 3.584 5.419 . 0 0 "[ . 1 . 2]" 1
1121 3 20 VAL QG 3 21 ALA H . . 4.180 2.161 1.819 2.504 . 0 0 "[ . 1 . 2]" 1
1122 3 20 VAL QG 3 24 ASN HB2 . . 4.750 4.727 4.173 4.845 0.095 6 0 "[ . 1 . 2]" 1
1123 3 20 VAL QG 3 24 ASN HB3 . . 4.160 3.609 3.290 4.213 0.053 18 0 "[ . 1 . 2]" 1
1124 3 20 VAL QG 3 24 ASN QD . . 4.710 3.479 1.855 4.367 . 0 0 "[ . 1 . 2]" 1
1125 3 20 VAL QG 3 25 VAL H . . 5.500 4.918 4.579 5.315 . 0 0 "[ . 1 . 2]" 1
1126 3 20 VAL QG 3 54 ASP H . . 5.180 4.551 3.674 5.307 0.127 14 0 "[ . 1 . 2]" 1
1127 3 20 VAL QG 3 59 TRP HE1 . . 4.880 3.633 1.955 4.760 . 0 0 "[ . 1 . 2]" 1
1128 3 20 VAL QG 3 59 TRP HH2 . . 3.790 3.674 3.318 3.885 0.095 5 0 "[ . 1 . 2]" 1
1129 3 20 VAL QG 3 59 TRP HZ2 . . 3.150 2.550 1.788 3.198 0.048 11 0 "[ . 1 . 2]" 1
1130 3 20 VAL QG 4 23 TYR HB3 . . 5.500 3.770 2.848 4.827 . 0 0 "[ . 1 . 2]" 1
1131 3 20 VAL QG 4 23 TYR QD . . 3.100 2.839 2.072 3.266 0.166 10 0 "[ . 1 . 2]" 1
1132 3 20 VAL QG 4 23 TYR QE . . 3.520 2.844 2.440 3.600 0.080 18 0 "[ . 1 . 2]" 1
1133 3 21 ALA H 3 24 ASN HB2 . . 5.050 4.561 4.188 5.015 . 0 0 "[ . 1 . 2]" 1
1134 3 21 ALA H 3 24 ASN HB3 . . 5.480 3.744 3.163 4.218 . 0 0 "[ . 1 . 2]" 1
1135 3 21 ALA H 3 24 ASN QD . . 5.060 4.043 3.341 5.062 0.002 16 0 "[ . 1 . 2]" 1
1136 3 21 ALA H 3 25 VAL QG . . 5.440 5.178 4.592 5.462 0.022 19 0 "[ . 1 . 2]" 1
1137 3 21 ALA H 3 51 VAL MG2 . . 5.070 5.094 4.573 5.195 0.125 18 0 "[ . 1 . 2]" 1
1138 3 21 ALA HA 3 59 TRP HE1 . . 4.840 4.707 3.656 4.961 0.121 9 0 "[ . 1 . 2]" 1
1139 3 21 ALA MB 3 22 ARG H . . 4.260 3.123 2.858 3.286 . 0 0 "[ . 1 . 2]" 1
1140 3 21 ALA MB 3 23 ALA H . . 4.310 2.702 2.261 3.044 . 0 0 "[ . 1 . 2]" 1
1141 3 21 ALA MB 3 24 ASN HB2 . . 4.400 2.443 2.092 4.484 0.084 18 0 "[ . 1 . 2]" 1
1142 3 21 ALA MB 3 24 ASN HB3 . . 4.240 2.473 2.077 3.198 . 0 0 "[ . 1 . 2]" 1
1143 3 21 ALA MB 3 25 VAL QG . . 4.610 4.444 4.187 4.652 0.042 1 0 "[ . 1 . 2]" 1
1144 3 22 ARG HA 3 22 ARG QD . . 5.040 3.658 3.317 4.186 . 0 0 "[ . 1 . 2]" 1
1145 3 22 ARG HA 3 25 VAL H . . 5.020 3.739 3.062 4.138 . 0 0 "[ . 1 . 2]" 1
1146 3 22 ARG HA 3 25 VAL MG1 . . 5.350 2.177 1.727 4.443 . 0 0 "[ . 1 . 2]" 1
1147 3 22 ARG HA 3 25 VAL QG . . 4.550 2.049 1.726 2.376 . 0 0 "[ . 1 . 2]" 1
1148 3 22 ARG HA 3 25 VAL MG2 . . 5.350 4.262 1.960 4.686 . 0 0 "[ . 1 . 2]" 1
1149 3 22 ARG HA 3 59 TRP HH2 . . 4.640 3.642 3.392 4.210 . 0 0 "[ . 1 . 2]" 1
1150 3 22 ARG HA 3 59 TRP HZ2 . . 4.330 3.919 3.462 4.370 0.040 18 0 "[ . 1 . 2]" 1
1151 3 22 ARG QB 3 59 TRP HH2 . . 4.300 4.292 3.348 4.408 0.108 14 0 "[ . 1 . 2]" 1
1152 3 22 ARG HB2 3 23 ALA H . . 5.500 4.100 3.805 4.244 . 0 0 "[ . 1 . 2]" 1
1153 3 22 ARG HB3 3 23 ALA H . . 5.500 3.178 2.656 4.405 . 0 0 "[ . 1 . 2]" 1
1154 3 22 ARG QD 3 25 VAL H . . 5.500 5.246 4.854 5.842 0.342 9 0 "[ . 1 . 2]" 1
1155 3 22 ARG QD 3 59 TRP HB2 . . 5.130 4.328 2.881 4.806 . 0 0 "[ . 1 . 2]" 1
1156 3 22 ARG QD 3 59 TRP HB3 . . 5.140 5.122 4.226 5.280 0.140 2 0 "[ . 1 . 2]" 1
1157 3 22 ARG QD 3 63 TYR QE . . 5.500 5.358 4.742 5.592 0.092 9 0 "[ . 1 . 2]" 1
1158 3 22 ARG QG 3 59 TRP HE3 . . 5.340 2.700 2.270 3.408 . 0 0 "[ . 1 . 2]" 1
1159 3 22 ARG QG 3 63 TYR QE . . 5.340 5.343 4.870 5.529 0.189 3 0 "[ . 1 . 2]" 1
1160 3 23 ALA H 3 23 ALA MB . . 3.470 2.258 2.231 2.288 . 0 0 "[ . 1 . 2]" 1
1161 3 23 ALA H 3 24 ASN H . . 4.300 2.553 2.459 2.767 . 0 0 "[ . 1 . 2]" 1
1162 3 23 ALA HA 3 25 VAL H . . 4.950 3.859 3.698 4.034 . 0 0 "[ . 1 . 2]" 1
1163 3 23 ALA MB 3 24 ASN H . . 3.770 3.186 3.094 3.285 . 0 0 "[ . 1 . 2]" 1
1164 3 23 ALA MB 3 24 ASN HA . . 5.120 4.030 3.990 4.083 . 0 0 "[ . 1 . 2]" 1
1165 3 23 ALA MB 3 25 VAL H . . 5.440 4.560 4.458 4.682 . 0 0 "[ . 1 . 2]" 1
1166 3 24 ASN H 3 24 ASN HB2 . . 3.960 2.877 2.729 3.821 . 0 0 "[ . 1 . 2]" 1
1167 3 24 ASN H 3 24 ASN HB3 . . 3.850 2.618 2.451 2.994 . 0 0 "[ . 1 . 2]" 1
1168 3 24 ASN H 3 25 VAL H . . 3.650 2.316 2.196 2.488 . 0 0 "[ . 1 . 2]" 1
1169 3 24 ASN HA 3 45 LYS QB . . 4.550 3.423 2.521 4.584 0.034 6 0 "[ . 1 . 2]" 1
1170 3 24 ASN HA 3 45 LYS HD3 . . 4.060 2.369 2.044 3.018 . 0 0 "[ . 1 . 2]" 1
1171 3 24 ASN HA 3 45 LYS HG2 . . 5.080 4.897 4.660 5.127 0.047 18 0 "[ . 1 . 2]" 1
1172 3 24 ASN HA 3 45 LYS HG3 . . 5.170 3.762 3.336 4.801 . 0 0 "[ . 1 . 2]" 1
1173 3 24 ASN HB2 3 25 VAL H . . 5.060 4.406 4.250 4.538 . 0 0 "[ . 1 . 2]" 1
1174 3 24 ASN HB2 3 25 VAL QG . . 5.320 5.016 4.680 5.236 . 0 0 "[ . 1 . 2]" 1
1175 3 24 ASN HB2 3 44 LEU QD . . 4.650 4.055 3.556 4.674 0.024 7 0 "[ . 1 . 2]" 1
1176 3 24 ASN HB2 3 45 LYS HD3 . . 5.330 4.821 4.583 5.170 . 0 0 "[ . 1 . 2]" 1
1177 3 24 ASN HB3 3 25 VAL H . . 4.940 3.718 3.340 4.503 . 0 0 "[ . 1 . 2]" 1
1178 3 24 ASN HB3 3 44 LEU QD . . 4.730 3.021 2.278 4.739 0.009 18 0 "[ . 1 . 2]" 1
1179 3 24 ASN QD 3 44 LEU HB2 . . 5.170 4.280 3.479 4.789 . 0 0 "[ . 1 . 2]" 1
1180 3 24 ASN QD 3 44 LEU QD . . 4.850 1.969 1.569 2.519 . 0 0 "[ . 1 . 2]" 1
1181 3 25 VAL QG 3 42 ALA HA . . 5.130 3.300 2.832 3.705 . 0 0 "[ . 1 . 2]" 1
1182 3 25 VAL QG 3 43 ARG H . . 4.350 3.063 2.475 3.668 . 0 0 "[ . 1 . 2]" 1
1183 3 25 VAL QG 3 44 LEU H . . 4.830 4.838 4.611 4.994 0.164 14 0 "[ . 1 . 2]" 1
1184 3 25 VAL QG 3 59 TRP HH2 . . 3.410 2.547 1.893 3.342 . 0 0 "[ . 1 . 2]" 1
1185 3 26 LYS H 3 26 LYS QD . . 4.520 4.405 3.564 4.597 0.077 10 0 "[ . 1 . 2]" 1
1186 3 26 LYS H 3 26 LYS HG2 . . 4.810 3.640 2.497 4.514 . 0 0 "[ . 1 . 2]" 1
1187 3 26 LYS H 3 26 LYS QG . . 3.960 2.595 2.427 3.866 . 0 0 "[ . 1 . 2]" 1
1188 3 26 LYS H 3 26 LYS HG3 . . 4.810 2.708 2.456 4.204 . 0 0 "[ . 1 . 2]" 1
1189 3 26 LYS H 3 27 HIS H . . 3.930 2.278 2.146 2.562 . 0 0 "[ . 1 . 2]" 1
1190 3 26 LYS H 3 43 ARG H . . 5.420 3.982 3.607 4.409 . 0 0 "[ . 1 . 2]" 1
1191 3 26 LYS H 3 43 ARG O . . 2.000 1.917 1.747 2.050 0.050 19 0 "[ . 1 . 2]" 1
1192 3 26 LYS H 3 45 LYS HD2 . . 5.500 5.063 4.297 5.468 . 0 0 "[ . 1 . 2]" 1
1193 3 26 LYS H 3 45 LYS HG3 . . 5.500 3.513 3.118 4.177 . 0 0 "[ . 1 . 2]" 1
1194 3 26 LYS HA 3 26 LYS QD . . 4.620 3.899 2.257 4.185 . 0 0 "[ . 1 . 2]" 1
1195 3 26 LYS HA 3 26 LYS QG . . 3.710 2.379 2.151 2.686 . 0 0 "[ . 1 . 2]" 1
1196 3 26 LYS HA 3 45 LYS HD2 . . 4.870 3.903 3.114 4.612 . 0 0 "[ . 1 . 2]" 1
1197 3 26 LYS HA 3 45 LYS HD3 . . 5.200 5.144 4.616 5.406 0.206 18 0 "[ . 1 . 2]" 1
1198 3 26 LYS HA 3 45 LYS HG2 . . 4.960 3.391 2.519 5.009 0.049 8 0 "[ . 1 . 2]" 1
1199 3 26 LYS HA 3 45 LYS HG3 . . 5.020 3.525 3.176 4.021 . 0 0 "[ . 1 . 2]" 1
1200 3 26 LYS QB 3 26 LYS QD . . 2.350 2.333 2.267 2.422 0.072 1 0 "[ . 1 . 2]" 1
1201 3 26 LYS QB 3 26 LYS QE . . 2.790 2.041 1.849 2.155 . 0 0 "[ . 1 . 2]" 1
1202 3 26 LYS QB 3 27 HIS HD2 . . 4.290 4.259 3.829 4.449 0.159 1 0 "[ . 1 . 2]" 1
1203 3 26 LYS QB 3 27 HIS HE1 . . 3.860 3.862 3.034 3.990 0.130 5 0 "[ . 1 . 2]" 1
1204 3 26 LYS QB 3 43 ARG H . . 4.940 4.348 3.100 4.853 . 0 0 "[ . 1 . 2]" 1
1205 3 26 LYS QB 3 45 LYS HA . . 5.340 4.076 1.951 4.899 . 0 0 "[ . 1 . 2]" 1
1206 3 26 LYS HB2 3 26 LYS QE . . 3.520 2.249 2.042 3.125 . 0 0 "[ . 1 . 2]" 1
1207 3 26 LYS HB2 3 27 HIS H . . 4.150 2.811 2.042 3.695 . 0 0 "[ . 1 . 2]" 1
1208 3 26 LYS HB3 3 26 LYS QE . . 3.520 2.628 1.863 2.921 . 0 0 "[ . 1 . 2]" 1
1209 3 26 LYS HB3 3 27 HIS H . . 4.150 3.702 2.746 3.946 . 0 0 "[ . 1 . 2]" 1
1210 3 26 LYS QE 3 43 ARG H . . 5.500 5.100 4.392 5.596 0.096 15 0 "[ . 1 . 2]" 1
1211 3 26 LYS QE 3 45 LYS H . . 5.420 5.012 4.461 5.592 0.172 14 0 "[ . 1 . 2]" 1
1212 3 26 LYS QE 3 45 LYS HA . . 4.670 3.399 2.441 3.977 . 0 0 "[ . 1 . 2]" 1
1213 3 26 LYS QG 3 27 HIS H . . 4.040 4.054 3.809 4.107 0.067 12 0 "[ . 1 . 2]" 1
1214 3 26 LYS QG 3 45 LYS H . . 4.140 3.432 2.625 4.297 0.157 10 0 "[ . 1 . 2]" 1
1215 3 26 LYS QG 3 45 LYS HA . . 3.560 2.187 1.814 2.845 . 0 0 "[ . 1 . 2]" 1
1216 3 26 LYS N 3 43 ARG O . . 3.000 2.879 2.704 3.020 0.020 19 0 "[ . 1 . 2]" 1
1217 3 27 HIS H 3 42 ALA HA . . 5.060 4.382 3.855 4.710 . 0 0 "[ . 1 . 2]" 1
1218 3 27 HIS H 3 42 ALA MB . . 5.320 3.920 3.575 4.337 . 0 0 "[ . 1 . 2]" 1
1219 3 27 HIS H 3 43 ARG H . . 4.500 3.376 2.736 3.657 . 0 0 "[ . 1 . 2]" 1
1220 3 27 HIS H 3 43 ARG QB . . 5.500 4.037 3.453 4.647 . 0 0 "[ . 1 . 2]" 1
1221 3 27 HIS HB2 3 28 LEU H . . 4.880 2.186 2.062 2.357 . 0 0 "[ . 1 . 2]" 1
1222 3 27 HIS HB3 3 28 LEU H . . 4.420 3.556 3.477 3.695 . 0 0 "[ . 1 . 2]" 1
1223 3 27 HIS HE1 3 43 ARG QB . . 3.720 2.345 1.920 3.185 . 0 0 "[ . 1 . 2]" 1
1224 3 27 HIS HE1 3 43 ARG QD . . 3.940 2.900 1.978 4.101 0.161 11 0 "[ . 1 . 2]" 1
1225 3 27 HIS HE1 3 43 ARG QG . . 4.030 3.463 2.112 4.112 0.082 1 0 "[ . 1 . 2]" 1
1226 3 28 LEU H 3 28 LEU MD1 . . 5.270 3.606 2.594 4.165 . 0 0 "[ . 1 . 2]" 1
1227 3 28 LEU H 3 28 LEU QD . . 4.490 3.237 2.572 3.738 . 0 0 "[ . 1 . 2]" 1
1228 3 28 LEU H 3 28 LEU MD2 . . 5.270 3.974 3.659 4.401 . 0 0 "[ . 1 . 2]" 1
1229 3 28 LEU H 3 28 LEU HG . . 4.680 3.716 2.825 4.649 . 0 0 "[ . 1 . 2]" 1
1230 3 28 LEU HA 3 28 LEU QD . . 3.360 2.234 1.980 2.833 . 0 0 "[ . 1 . 2]" 1
1231 3 28 LEU HA 3 43 ARG H . . 5.500 4.063 3.769 4.510 . 0 0 "[ . 1 . 2]" 1
1232 3 28 LEU HB2 3 63 TYR QE . . 4.100 3.979 3.206 4.214 0.114 20 0 "[ . 1 . 2]" 1
1233 3 28 LEU HB3 3 29 LYS H . . 5.450 2.965 2.597 3.635 . 0 0 "[ . 1 . 2]" 1
1234 3 28 LEU HB3 3 41 VAL H . . 5.370 4.659 4.330 5.517 0.147 5 0 "[ . 1 . 2]" 1
1235 3 28 LEU QD 3 29 LYS H . . 4.240 3.600 3.002 4.241 0.001 2 0 "[ . 1 . 2]" 1
1236 3 28 LEU QD 3 42 ALA HA . . 3.990 3.177 2.690 4.009 0.019 10 0 "[ . 1 . 2]" 1
1237 3 28 LEU QD 3 42 ALA MB . . 2.890 2.250 1.929 2.938 0.048 14 0 "[ . 1 . 2]" 1
1238 3 28 LEU QD 3 59 TRP HH2 . . 3.760 2.615 1.953 3.119 . 0 0 "[ . 1 . 2]" 1
1239 3 28 LEU QD 3 59 TRP HZ2 . . 5.040 4.361 3.480 4.810 . 0 0 "[ . 1 . 2]" 1
1240 3 28 LEU QD 3 59 TRP HZ3 . . 3.920 2.495 2.251 3.094 . 0 0 "[ . 1 . 2]" 1
1241 3 28 LEU QD 3 60 ILE QG . . 3.360 3.530 3.463 3.588 0.228 18 0 "[ . 1 . 2]" 1
1242 3 28 LEU QD 3 63 TYR HB2 . . 4.550 4.181 3.724 4.558 0.008 19 0 "[ . 1 . 2]" 1
1243 3 28 LEU QD 3 63 TYR HB3 . . 5.130 3.612 3.176 3.832 . 0 0 "[ . 1 . 2]" 1
1244 3 28 LEU QD 3 63 TYR QD . . 3.490 2.918 2.602 3.285 . 0 0 "[ . 1 . 2]" 1
1245 3 28 LEU QD 3 63 TYR QE . . 3.820 3.098 2.530 3.531 . 0 0 "[ . 1 . 2]" 1
1246 3 28 LEU QD 3 64 LEU H . . 5.070 5.043 4.750 5.148 0.078 18 0 "[ . 1 . 2]" 1
1247 3 28 LEU MD1 3 59 TRP HH2 . . 4.350 3.347 2.346 4.372 0.022 8 0 "[ . 1 . 2]" 1
1248 3 28 LEU MD1 3 59 TRP HZ3 . . 4.510 2.718 2.334 3.420 . 0 0 "[ . 1 . 2]" 1
1249 3 28 LEU MD2 3 59 TRP HH2 . . 4.350 3.288 1.973 4.389 0.039 19 0 "[ . 1 . 2]" 1
1250 3 28 LEU MD2 3 59 TRP HZ3 . . 4.510 3.089 2.444 3.657 . 0 0 "[ . 1 . 2]" 1
1251 3 29 LYS H 3 29 LYS HG2 . . 5.250 4.622 4.347 4.898 . 0 0 "[ . 1 . 2]" 1
1252 3 29 LYS H 3 29 LYS HG3 . . 4.910 4.500 4.324 4.755 . 0 0 "[ . 1 . 2]" 1
1253 3 29 LYS H 3 30 ILE H . . 5.480 4.223 4.103 4.442 . 0 0 "[ . 1 . 2]" 1
1254 3 29 LYS H 3 40 ILE MD . . 5.500 5.432 5.133 5.541 0.041 13 0 "[ . 1 . 2]" 1
1255 3 29 LYS H 3 40 ILE MG . . 4.560 2.905 2.520 3.164 . 0 0 "[ . 1 . 2]" 1
1256 3 29 LYS H 3 41 VAL H . . 4.580 2.766 2.474 2.978 . 0 0 "[ . 1 . 2]" 1
1257 3 29 LYS H 3 41 VAL MG1 . . 5.280 4.438 2.936 4.811 . 0 0 "[ . 1 . 2]" 1
1258 3 29 LYS H 3 41 VAL QG . . 4.620 4.026 2.903 4.262 . 0 0 "[ . 1 . 2]" 1
1259 3 29 LYS H 3 41 VAL MG2 . . 5.280 4.671 4.242 5.067 . 0 0 "[ . 1 . 2]" 1
1260 3 29 LYS H 3 41 VAL O . . 2.000 1.862 1.693 2.027 0.027 6 0 "[ . 1 . 2]" 1
1261 3 29 LYS H 3 42 ALA HA . . 4.480 3.462 2.970 3.743 . 0 0 "[ . 1 . 2]" 1
1262 3 29 LYS HA 3 29 LYS HD2 . . 4.880 4.151 3.548 4.808 . 0 0 "[ . 1 . 2]" 1
1263 3 29 LYS HA 3 29 LYS HD3 . . 4.660 3.091 2.183 4.330 . 0 0 "[ . 1 . 2]" 1
1264 3 29 LYS HA 3 29 LYS HE2 . . 5.500 4.968 4.127 5.721 0.221 2 0 "[ . 1 . 2]" 1
1265 3 29 LYS HA 3 29 LYS HE3 . . 5.500 4.660 3.092 5.821 0.321 6 0 "[ . 1 . 2]" 1
1266 3 29 LYS QB 3 29 LYS HE2 . . 4.470 3.186 2.020 3.519 . 0 0 "[ . 1 . 2]" 1
1267 3 29 LYS QB 3 29 LYS HE3 . . 4.470 3.002 1.970 3.762 . 0 0 "[ . 1 . 2]" 1
1268 3 29 LYS QB 3 30 ILE H . . 4.490 3.824 3.673 3.922 . 0 0 "[ . 1 . 2]" 1
1269 3 29 LYS QB 3 41 VAL H . . 4.860 2.848 2.262 3.502 . 0 0 "[ . 1 . 2]" 1
1270 3 29 LYS HD2 3 29 LYS HG2 . . 2.580 2.500 2.372 2.612 0.032 10 0 "[ . 1 . 2]" 1
1271 3 29 LYS QE 3 29 LYS HG2 . . 3.670 2.576 2.211 3.047 . 0 0 "[ . 1 . 2]" 1
1272 3 29 LYS QE 3 31 LEU QD . . 3.990 3.881 2.251 4.136 0.146 10 0 "[ . 1 . 2]" 1
1273 3 29 LYS HE2 3 29 LYS HG2 . . 4.180 2.910 2.295 3.770 . 0 0 "[ . 1 . 2]" 1
1274 3 29 LYS HE3 3 29 LYS HG2 . . 4.180 3.307 2.348 3.718 . 0 0 "[ . 1 . 2]" 1
1275 3 29 LYS HG2 4 14 TYR QE . . 4.960 4.534 3.208 5.101 0.141 16 0 "[ . 1 . 2]" 1
1276 3 29 LYS HG3 4 14 TYR QE . . 5.500 5.350 4.445 5.689 0.189 18 0 "[ . 1 . 2]" 1
1277 3 29 LYS N 3 41 VAL O . . 3.000 2.729 2.609 2.909 . 0 0 "[ . 1 . 2]" 1
1278 3 29 LYS O 3 41 VAL H . . 2.000 1.790 1.713 1.910 . 0 0 "[ . 1 . 2]" 1
1279 3 29 LYS O 3 41 VAL N . . 3.000 2.755 2.694 2.876 . 0 0 "[ . 1 . 2]" 1
1280 3 30 ILE H 3 30 ILE MD . . 4.100 3.983 3.866 4.129 0.029 19 0 "[ . 1 . 2]" 1
1281 3 30 ILE H 3 30 ILE QG . . 4.380 2.534 2.423 2.761 . 0 0 "[ . 1 . 2]" 1
1282 3 30 ILE H 3 30 ILE MG . . 4.360 3.873 3.832 3.931 . 0 0 "[ . 1 . 2]" 1
1283 3 30 ILE HA 3 30 ILE MD . . 4.250 3.856 3.821 3.899 . 0 0 "[ . 1 . 2]" 1
1284 3 30 ILE HA 3 30 ILE QG . . 3.980 2.522 2.482 2.573 . 0 0 "[ . 1 . 2]" 1
1285 3 30 ILE HA 3 40 ILE MD . . 4.930 4.334 4.127 4.480 . 0 0 "[ . 1 . 2]" 1
1286 3 30 ILE HA 3 40 ILE MG . . 4.480 3.388 3.006 3.733 . 0 0 "[ . 1 . 2]" 1
1287 3 30 ILE HB 3 30 ILE MD . . 3.490 2.445 2.384 2.490 . 0 0 "[ . 1 . 2]" 1
1288 3 30 ILE HB 3 31 LEU H . . 4.310 4.028 3.867 4.210 . 0 0 "[ . 1 . 2]" 1
1289 3 30 ILE MD 3 30 ILE MG . . 2.900 1.839 1.785 1.886 . 0 0 "[ . 1 . 2]" 1
1290 3 30 ILE MD 3 31 LEU H . . 5.250 5.040 4.869 5.227 . 0 0 "[ . 1 . 2]" 1
1291 3 30 ILE QG 3 31 LEU H . . 5.090 4.238 4.130 4.381 . 0 0 "[ . 1 . 2]" 1
1292 3 30 ILE MG 3 31 LEU H . . 4.300 2.587 2.393 2.873 . 0 0 "[ . 1 . 2]" 1
1293 3 30 ILE MG 3 38 CYS HA . . 5.120 4.283 3.391 5.068 . 0 0 "[ . 1 . 2]" 1
1294 3 30 ILE MG 3 40 ILE MD . . 3.130 3.151 3.002 3.225 0.095 1 0 "[ . 1 . 2]" 1
1295 3 30 ILE MG 3 40 ILE QG . . 3.500 2.175 1.952 2.416 . 0 0 "[ . 1 . 2]" 1
1296 3 31 LEU H 3 31 LEU MD1 . . 4.800 3.592 1.954 4.800 . 0 0 "[ . 1 . 2]" 1
1297 3 31 LEU H 3 31 LEU QD . . 4.060 3.059 1.932 3.957 . 0 0 "[ . 1 . 2]" 1
1298 3 31 LEU H 3 31 LEU MD2 . . 4.800 3.701 2.111 4.251 . 0 0 "[ . 1 . 2]" 1
1299 3 31 LEU H 3 39 GLN H . . 4.410 3.455 3.040 4.161 . 0 0 "[ . 1 . 2]" 1
1300 3 31 LEU H 3 39 GLN QB . . 5.500 3.376 2.457 3.780 . 0 0 "[ . 1 . 2]" 1
1301 3 31 LEU H 3 39 GLN QG . . 5.500 4.896 4.131 5.532 0.032 6 0 "[ . 1 . 2]" 1
1302 3 31 LEU HA 3 39 GLN QB . . 5.500 5.086 4.404 5.708 0.208 15 0 "[ . 1 . 2]" 1
1303 3 31 LEU QB 4 14 TYR QD . . 3.810 3.571 2.862 4.011 0.201 7 0 "[ . 1 . 2]" 1
1304 3 31 LEU QB 4 14 TYR QE . . 3.440 3.323 2.408 3.717 0.277 12 0 "[ . 1 . 2]" 1
1305 3 31 LEU QD 3 32 ASN H . . 5.400 3.466 2.622 4.330 . 0 0 "[ . 1 . 2]" 1
1306 3 31 LEU QD 4 14 TYR HB2 . . 5.400 3.483 2.653 4.819 . 0 0 "[ . 1 . 2]" 1
1307 3 31 LEU QD 4 14 TYR QE . . 2.760 2.120 1.601 2.612 . 0 0 "[ . 1 . 2]" 1
1308 3 31 LEU MD1 4 14 TYR QD . . 3.150 2.755 1.793 3.335 0.185 19 0 "[ . 1 . 2]" 1
1309 3 31 LEU MD1 4 14 TYR QE . . 3.200 2.617 1.846 3.281 0.081 2 0 "[ . 1 . 2]" 1
1310 3 31 LEU MD2 4 14 TYR QD . . 3.150 2.923 2.263 3.335 0.185 5 0 "[ . 1 . 2]" 1
1311 3 31 LEU MD2 4 14 TYR QE . . 3.200 2.570 1.756 3.300 0.100 6 0 "[ . 1 . 2]" 1
1312 3 33 THR HA 3 34 PRO QD . . 3.670 2.041 1.899 2.218 . 0 0 "[ . 1 . 2]" 1
1313 3 33 THR HB 3 34 PRO QD . . 4.220 2.595 2.062 3.891 . 0 0 "[ . 1 . 2]" 1
1314 3 33 THR MG 3 34 PRO QD . . 4.080 3.043 1.886 3.404 . 0 0 "[ . 1 . 2]" 1
1315 3 33 THR MG 3 36 CYS HB2 . . 5.100 4.013 2.960 5.140 0.040 18 0 "[ . 1 . 2]" 1
1316 3 33 THR MG 3 36 CYS HB3 . . 4.910 4.614 3.966 5.055 0.145 5 0 "[ . 1 . 2]" 1
1317 3 33 THR MG 3 39 GLN QE . . 5.340 4.697 2.517 5.375 0.035 1 0 "[ . 1 . 2]" 1
1318 3 33 THR MG 4 14 TYR QD . . 3.120 3.213 2.903 3.361 0.241 7 0 "[ . 1 . 2]" 1
1319 3 36 CYS HB2 3 39 GLN HE21 . . 4.820 4.105 2.354 4.949 0.129 1 0 "[ . 1 . 2]" 1
1320 3 36 CYS HB2 3 39 GLN HE22 . . 4.820 4.375 2.905 4.936 0.116 10 0 "[ . 1 . 2]" 1
1321 3 37 ALA MB 3 38 CYS H . . 4.220 2.135 1.852 3.644 . 0 0 "[ . 1 . 2]" 1
1322 3 37 ALA MB 3 39 GLN HE21 . . 5.500 4.046 2.991 5.533 0.033 6 0 "[ . 1 . 2]" 1
1323 3 37 ALA MB 3 39 GLN HE22 . . 5.500 3.982 2.297 5.528 0.028 6 0 "[ . 1 . 2]" 1
1324 3 37 ALA MB 3 56 LYS QD . . 4.030 3.864 2.656 4.186 0.156 19 0 "[ . 1 . 2]" 1
1325 3 38 CYS QB 3 55 PRO HB2 . . 4.780 3.202 2.171 4.665 . 0 0 "[ . 1 . 2]" 1
1326 3 38 CYS HB2 3 55 PRO HB2 . . 5.500 4.661 3.677 5.535 0.035 9 0 "[ . 1 . 2]" 1
1327 3 38 CYS HB3 3 55 PRO HB2 . . 5.500 3.340 2.187 5.510 0.010 10 0 "[ . 1 . 2]" 1
1328 3 39 GLN H 3 39 GLN QE . . 5.340 3.776 1.920 5.333 . 0 0 "[ . 1 . 2]" 1
1329 3 39 GLN H 3 39 GLN QG . . 4.690 3.514 2.410 4.227 . 0 0 "[ . 1 . 2]" 1
1330 3 39 GLN H 3 55 PRO HG3 . . 4.600 4.581 4.180 4.706 0.106 19 0 "[ . 1 . 2]" 1
1331 3 39 GLN QB 3 39 GLN HE22 . . 4.900 3.735 3.247 4.443 . 0 0 "[ . 1 . 2]" 1
1332 3 39 GLN QE 3 55 PRO HG3 . . 5.010 4.404 3.334 5.074 0.064 12 0 "[ . 1 . 2]" 1
1333 3 40 ILE H 3 40 ILE HB . . 3.960 2.622 2.469 2.733 . 0 0 "[ . 1 . 2]" 1
1334 3 40 ILE H 3 40 ILE MD . . 4.910 4.123 3.941 4.278 . 0 0 "[ . 1 . 2]" 1
1335 3 40 ILE H 3 40 ILE MG . . 4.480 3.811 3.720 3.863 . 0 0 "[ . 1 . 2]" 1
1336 3 40 ILE H 3 53 ILE H . . 5.290 3.666 3.321 4.152 . 0 0 "[ . 1 . 2]" 1
1337 3 40 ILE H 3 55 PRO HG3 . . 5.260 4.146 3.498 4.584 . 0 0 "[ . 1 . 2]" 1
1338 3 40 ILE HA 3 40 ILE MD . . 4.530 3.806 3.756 3.844 . 0 0 "[ . 1 . 2]" 1
1339 3 40 ILE HB 3 40 ILE MD . . 3.180 2.492 2.467 2.525 . 0 0 "[ . 1 . 2]" 1
1340 3 40 ILE HB 3 41 VAL H . . 4.360 4.178 4.042 4.288 . 0 0 "[ . 1 . 2]" 1
1341 3 40 ILE HB 3 53 ILE H . . 4.870 3.530 3.059 4.315 . 0 0 "[ . 1 . 2]" 1
1342 3 40 ILE HB 3 53 ILE HB . . 4.760 2.515 2.161 2.855 . 0 0 "[ . 1 . 2]" 1
1343 3 40 ILE HB 3 53 ILE MG . . 3.850 3.748 3.190 3.923 0.073 8 0 "[ . 1 . 2]" 1
1344 3 40 ILE HB 3 60 ILE QG . . 5.340 4.370 4.022 4.755 . 0 0 "[ . 1 . 2]" 1
1345 3 40 ILE MD 3 53 ILE HB . . 4.390 3.861 3.378 4.410 0.020 11 0 "[ . 1 . 2]" 1
1346 3 40 ILE MD 3 60 ILE HB . . 4.170 4.204 4.132 4.264 0.094 1 0 "[ . 1 . 2]" 1
1347 3 40 ILE MD 3 60 ILE MD . . 3.130 2.560 2.083 2.900 . 0 0 "[ . 1 . 2]" 1
1348 3 40 ILE MD 3 60 ILE QG . . 3.630 3.271 3.000 3.563 . 0 0 "[ . 1 . 2]" 1
1349 3 40 ILE MD 3 60 ILE MG . . 3.140 2.025 1.891 2.180 . 0 0 "[ . 1 . 2]" 1
1350 3 40 ILE QG 3 60 ILE QG . . 5.340 5.084 4.759 5.282 . 0 0 "[ . 1 . 2]" 1
1351 3 40 ILE MG 3 41 VAL H . . 3.690 2.682 2.435 2.853 . 0 0 "[ . 1 . 2]" 1
1352 3 40 ILE MG 3 53 ILE H . . 5.300 3.683 3.238 4.299 . 0 0 "[ . 1 . 2]" 1
1353 3 40 ILE MG 3 53 ILE HB . . 4.290 2.709 2.193 3.127 . 0 0 "[ . 1 . 2]" 1
1354 3 40 ILE MG 3 53 ILE QG . . 4.240 2.920 2.453 3.518 . 0 0 "[ . 1 . 2]" 1
1355 3 40 ILE MG 3 55 PRO QD . . 5.500 5.197 4.822 5.496 . 0 0 "[ . 1 . 2]" 1
1356 3 40 ILE O 3 53 ILE H . . 2.000 1.710 1.618 1.840 . 0 0 "[ . 1 . 2]" 1
1357 3 40 ILE O 3 53 ILE N . . 3.000 2.668 2.577 2.761 . 0 0 "[ . 1 . 2]" 1
1358 3 41 VAL H 3 53 ILE QG . . 4.980 4.781 4.229 5.040 0.060 13 0 "[ . 1 . 2]" 1
1359 3 41 VAL HA 3 52 CYS HA . . 4.170 2.026 1.882 2.439 . 0 0 "[ . 1 . 2]" 1
1360 3 41 VAL HA 3 53 ILE H . . 4.330 2.854 2.384 3.347 . 0 0 "[ . 1 . 2]" 1
1361 3 41 VAL QG 3 42 ALA H . . 4.640 2.562 2.279 2.673 . 0 0 "[ . 1 . 2]" 1
1362 3 42 ALA H 3 51 VAL H . . 4.800 3.394 3.094 3.670 . 0 0 "[ . 1 . 2]" 1
1363 3 42 ALA H 3 51 VAL O . . 2.000 1.763 1.670 1.951 . 0 0 "[ . 1 . 2]" 1
1364 3 42 ALA H 3 53 ILE H . . 5.500 3.920 3.503 4.149 . 0 0 "[ . 1 . 2]" 1
1365 3 42 ALA MB 3 43 ARG H . . 4.010 2.959 2.728 3.126 . 0 0 "[ . 1 . 2]" 1
1366 3 42 ALA MB 3 51 VAL H . . 4.860 3.743 3.476 4.038 . 0 0 "[ . 1 . 2]" 1
1367 3 42 ALA MB 3 51 VAL HB . . 5.150 4.925 4.571 5.155 0.005 16 0 "[ . 1 . 2]" 1
1368 3 42 ALA MB 3 51 VAL MG2 . . 2.920 2.629 2.267 2.937 0.017 13 0 "[ . 1 . 2]" 1
1369 3 42 ALA MB 3 53 ILE H . . 4.780 4.389 4.098 4.730 . 0 0 "[ . 1 . 2]" 1
1370 3 42 ALA MB 3 59 TRP HH2 . . 4.590 3.466 3.124 4.022 . 0 0 "[ . 1 . 2]" 1
1371 3 42 ALA MB 3 59 TRP HZ2 . . 4.540 4.569 4.415 4.640 0.100 16 0 "[ . 1 . 2]" 1
1372 3 42 ALA N 3 51 VAL O . . 3.000 2.715 2.648 2.873 . 0 0 "[ . 1 . 2]" 1
1373 3 42 ALA O 3 51 VAL H . . 2.000 1.915 1.781 2.058 0.058 12 0 "[ . 1 . 2]" 1
1374 3 42 ALA O 3 51 VAL N . . 3.000 2.870 2.746 3.022 0.022 12 0 "[ . 1 . 2]" 1
1375 3 43 ARG H 3 43 ARG QD . . 5.500 4.425 2.851 4.885 . 0 0 "[ . 1 . 2]" 1
1376 3 43 ARG H 3 51 VAL H . . 5.500 4.920 4.705 5.163 . 0 0 "[ . 1 . 2]" 1
1377 3 43 ARG H 3 51 VAL MG2 . . 5.500 5.153 4.710 5.482 . 0 0 "[ . 1 . 2]" 1
1378 3 43 ARG HA 3 43 ARG QD . . 4.200 3.657 1.974 4.232 0.032 10 0 "[ . 1 . 2]" 1
1379 3 43 ARG HA 3 50 GLN HA . . 4.610 2.333 1.957 2.883 . 0 0 "[ . 1 . 2]" 1
1380 3 43 ARG HA 3 50 GLN QG . . 5.480 3.621 1.999 5.164 . 0 0 "[ . 1 . 2]" 1
1381 3 43 ARG HA 3 51 VAL H . . 4.750 3.193 2.672 3.659 . 0 0 "[ . 1 . 2]" 1
1382 3 43 ARG HA 3 51 VAL MG2 . . 4.590 4.167 3.619 4.657 0.067 17 0 "[ . 1 . 2]" 1
1383 3 43 ARG QB 3 44 LEU H . . 4.890 3.461 2.877 3.873 . 0 0 "[ . 1 . 2]" 1
1384 3 43 ARG QB 3 50 GLN QG . . 5.310 3.949 2.111 5.334 0.024 12 0 "[ . 1 . 2]" 1
1385 3 43 ARG QD 3 44 LEU H . . 5.010 4.402 2.047 5.058 0.048 6 0 "[ . 1 . 2]" 1
1386 3 43 ARG QD 3 50 GLN HB2 . . 5.370 4.337 2.654 5.433 0.063 8 0 "[ . 1 . 2]" 1
1387 3 43 ARG QD 3 50 GLN QB . . 4.670 3.629 2.625 4.540 . 0 0 "[ . 1 . 2]" 1
1388 3 43 ARG QD 3 50 GLN HB3 . . 5.370 4.344 2.808 5.426 0.056 13 0 "[ . 1 . 2]" 1
1389 3 43 ARG QD 3 50 GLN QG . . 5.480 4.193 2.324 5.506 0.026 19 0 "[ . 1 . 2]" 1
1390 3 44 LEU H 3 44 LEU HB2 . . 4.100 2.418 2.289 2.526 . 0 0 "[ . 1 . 2]" 1
1391 3 44 LEU H 3 44 LEU MD1 . . 4.490 3.373 1.975 3.777 . 0 0 "[ . 1 . 2]" 1
1392 3 44 LEU H 3 44 LEU QD . . 3.900 2.794 1.689 3.132 . 0 0 "[ . 1 . 2]" 1
1393 3 44 LEU H 3 44 LEU MD2 . . 4.490 3.174 1.698 3.919 . 0 0 "[ . 1 . 2]" 1
1394 3 44 LEU H 3 44 LEU HG . . 4.310 2.561 2.042 3.980 . 0 0 "[ . 1 . 2]" 1
1395 3 44 LEU H 3 50 GLN HA . . 4.550 2.772 2.143 3.393 . 0 0 "[ . 1 . 2]" 1
1396 3 44 LEU H 3 51 VAL H . . 5.500 3.919 3.234 4.452 . 0 0 "[ . 1 . 2]" 1
1397 3 44 LEU HA 3 44 LEU MD1 . . 4.510 3.580 2.110 3.958 . 0 0 "[ . 1 . 2]" 1
1398 3 44 LEU HA 3 44 LEU QD . . 3.220 2.142 1.998 2.766 . 0 0 "[ . 1 . 2]" 1
1399 3 44 LEU HA 3 44 LEU MD2 . . 4.510 2.379 2.005 3.869 . 0 0 "[ . 1 . 2]" 1
1400 3 44 LEU HB2 3 44 LEU QD . . 3.120 2.256 2.140 2.343 . 0 0 "[ . 1 . 2]" 1
1401 3 44 LEU HB2 3 45 LYS H . . 5.060 3.722 3.184 4.100 . 0 0 "[ . 1 . 2]" 1
1402 3 44 LEU HB2 3 49 ARG H . . 3.460 3.166 1.772 3.526 0.066 17 0 "[ . 1 . 2]" 1
1403 3 44 LEU HB3 3 45 LYS H . . 4.720 2.644 2.038 3.210 . 0 0 "[ . 1 . 2]" 1
1404 3 44 LEU HB3 3 49 ARG H . . 4.480 4.390 3.382 4.580 0.100 10 0 "[ . 1 . 2]" 1
1405 3 44 LEU QD 3 45 LYS H . . 3.880 3.435 3.178 3.753 . 0 0 "[ . 1 . 2]" 1
1406 3 44 LEU QD 3 48 ASN QB . . 4.710 3.074 1.735 4.855 0.145 12 0 "[ . 1 . 2]" 1
1407 3 44 LEU QD 3 49 ARG H . . 4.530 2.381 1.647 3.010 . 0 0 "[ . 1 . 2]" 1
1408 3 44 LEU QD 3 49 ARG HA . . 5.110 4.162 3.128 4.581 . 0 0 "[ . 1 . 2]" 1
1409 3 44 LEU QD 3 49 ARG QB . . 3.960 3.434 1.990 4.219 0.259 1 0 "[ . 1 . 2]" 1
1410 3 44 LEU QD 3 49 ARG QD . . 3.740 3.228 2.116 3.936 0.196 6 0 "[ . 1 . 2]" 1
1411 3 44 LEU QD 3 50 GLN H . . 5.440 4.286 3.210 4.818 . 0 0 "[ . 1 . 2]" 1
1412 3 44 LEU QD 3 50 GLN HA . . 4.500 3.497 2.385 4.296 . 0 0 "[ . 1 . 2]" 1
1413 3 44 LEU QD 3 51 VAL H . . 5.440 3.479 2.659 4.148 . 0 0 "[ . 1 . 2]" 1
1414 3 44 LEU QD 3 51 VAL HB . . 4.260 3.947 3.710 4.222 . 0 0 "[ . 1 . 2]" 1
1415 3 44 LEU MD1 3 45 LYS H . . 5.140 4.450 3.528 5.113 . 0 0 "[ . 1 . 2]" 1
1416 3 44 LEU MD2 3 45 LYS H . . 5.140 3.693 3.291 4.929 . 0 0 "[ . 1 . 2]" 1
1417 3 44 LEU HG 3 45 LYS H . . 5.500 4.832 3.813 5.099 . 0 0 "[ . 1 . 2]" 1
1418 3 44 LEU HG 3 49 ARG H . . 5.140 4.266 2.824 5.206 0.066 18 0 "[ . 1 . 2]" 1
1419 3 44 LEU HG 3 51 VAL MG1 . . 3.920 3.209 2.450 4.001 0.081 7 0 "[ . 1 . 2]" 1
1420 3 44 LEU HG 3 51 VAL MG2 . . 3.950 2.814 2.262 3.956 0.006 10 0 "[ . 1 . 2]" 1
1421 3 45 LYS H 3 45 LYS HD3 . . 3.860 3.598 1.834 3.932 0.072 12 0 "[ . 1 . 2]" 1
1422 3 45 LYS H 3 45 LYS QE . . 5.500 4.575 3.080 5.278 . 0 0 "[ . 1 . 2]" 1
1423 3 45 LYS H 3 45 LYS HG2 . . 4.620 3.681 3.152 4.126 . 0 0 "[ . 1 . 2]" 1
1424 3 45 LYS H 3 45 LYS HG3 . . 4.240 2.416 1.754 3.268 . 0 0 "[ . 1 . 2]" 1
1425 3 45 LYS HA 3 45 LYS HD2 . . 5.020 4.748 4.367 4.878 . 0 0 "[ . 1 . 2]" 1
1426 3 45 LYS HA 3 45 LYS HD3 . . 5.010 4.515 3.434 4.713 . 0 0 "[ . 1 . 2]" 1
1427 3 45 LYS HA 3 45 LYS QE . . 4.470 4.221 3.898 4.484 0.014 13 0 "[ . 1 . 2]" 1
1428 3 45 LYS HA 3 45 LYS HG3 . . 4.120 2.837 2.380 3.088 . 0 0 "[ . 1 . 2]" 1
1429 3 45 LYS QB 3 45 LYS HD3 . . 3.170 2.413 2.257 2.650 . 0 0 "[ . 1 . 2]" 1
1430 3 45 LYS QB 3 45 LYS QE . . 4.480 2.152 1.870 2.892 . 0 0 "[ . 1 . 2]" 1
1431 3 48 ASN QB 3 49 ARG H . . 4.240 2.501 1.806 4.014 . 0 0 "[ . 1 . 2]" 1
1432 3 48 ASN HB2 3 49 ARG H . . 4.870 3.225 2.006 4.590 . 0 0 "[ . 1 . 2]" 1
1433 3 48 ASN HB3 3 49 ARG H . . 4.870 2.929 1.816 4.451 . 0 0 "[ . 1 . 2]" 1
1434 3 49 ARG H 3 49 ARG QB . . 3.740 2.911 2.299 3.399 . 0 0 "[ . 1 . 2]" 1
1435 3 49 ARG H 3 49 ARG HD2 . . 5.500 3.634 1.861 4.872 . 0 0 "[ . 1 . 2]" 1
1436 3 49 ARG H 3 49 ARG QD . . 4.710 3.020 1.820 4.378 . 0 0 "[ . 1 . 2]" 1
1437 3 49 ARG H 3 49 ARG HD3 . . 5.500 3.696 2.213 5.073 . 0 0 "[ . 1 . 2]" 1
1438 3 49 ARG H 3 49 ARG HG2 . . 4.550 3.572 1.962 4.625 0.075 20 0 "[ . 1 . 2]" 1
1439 3 49 ARG H 3 49 ARG QG . . 3.690 2.882 1.926 3.744 0.054 14 0 "[ . 1 . 2]" 1
1440 3 49 ARG H 3 49 ARG HG3 . . 4.550 3.388 2.082 4.669 0.119 12 0 "[ . 1 . 2]" 1
1441 3 49 ARG HA 3 49 ARG HD2 . . 4.740 4.172 2.813 4.674 . 0 0 "[ . 1 . 2]" 1
1442 3 49 ARG HA 3 49 ARG QD . . 3.860 3.659 2.265 4.081 0.221 3 0 "[ . 1 . 2]" 1
1443 3 49 ARG HA 3 49 ARG HD3 . . 4.740 4.205 2.388 5.005 0.265 17 0 "[ . 1 . 2]" 1
1444 3 49 ARG HA 3 49 ARG QG . . 3.700 3.083 2.291 3.569 . 0 0 "[ . 1 . 2]" 1
1445 3 49 ARG HA 3 50 GLN H . . 3.460 2.675 2.204 3.530 0.070 17 0 "[ . 1 . 2]" 1
1446 3 49 ARG QB 3 49 ARG QD . . 3.250 2.248 1.958 2.740 . 0 0 "[ . 1 . 2]" 1
1447 3 49 ARG QB 3 50 GLN H . . 3.960 2.107 1.711 3.218 . 0 0 "[ . 1 . 2]" 1
1448 3 49 ARG QD 3 49 ARG QG . . 2.360 2.058 1.963 2.092 . 0 0 "[ . 1 . 2]" 1
1449 3 49 ARG QG 3 50 GLN H . . 4.270 3.473 1.996 4.324 0.054 4 0 "[ . 1 . 2]" 1
1450 3 50 GLN H 3 50 GLN QG . . 4.590 3.219 1.991 4.097 . 0 0 "[ . 1 . 2]" 1
1451 3 50 GLN HA 3 51 VAL MG1 . . 4.980 3.651 3.416 3.859 . 0 0 "[ . 1 . 2]" 1
1452 3 50 GLN QB 3 51 VAL H . . 4.120 3.256 2.635 3.836 . 0 0 "[ . 1 . 2]" 1
1453 3 50 GLN HB2 3 51 VAL H . . 4.710 3.653 2.685 4.570 . 0 0 "[ . 1 . 2]" 1
1454 3 50 GLN HB3 3 51 VAL H . . 4.710 3.940 3.075 4.239 . 0 0 "[ . 1 . 2]" 1
1455 3 50 GLN QG 3 51 VAL H . . 5.500 3.615 2.497 4.693 . 0 0 "[ . 1 . 2]" 1
1456 3 51 VAL H 3 51 VAL MG1 . . 3.800 3.004 2.831 3.225 . 0 0 "[ . 1 . 2]" 1
1457 3 51 VAL H 3 51 VAL MG2 . . 3.510 2.291 2.017 2.459 . 0 0 "[ . 1 . 2]" 1
1458 3 51 VAL HA 3 51 VAL MG1 . . 3.510 2.379 2.299 2.442 . 0 0 "[ . 1 . 2]" 1
1459 3 51 VAL HB 3 52 CYS H . . 4.170 2.509 2.379 2.699 . 0 0 "[ . 1 . 2]" 1
1460 3 51 VAL HB 4 23 TYR QE . . 5.500 4.457 2.518 5.273 . 0 0 "[ . 1 . 2]" 1
1461 3 51 VAL MG1 3 52 CYS H . . 4.290 3.680 3.489 3.797 . 0 0 "[ . 1 . 2]" 1
1462 3 51 VAL MG1 4 23 TYR QD . . 4.240 3.148 2.200 3.873 . 0 0 "[ . 1 . 2]" 1
1463 3 51 VAL MG1 4 23 TYR QE . . 3.290 2.809 1.948 3.368 0.078 20 0 "[ . 1 . 2]" 1
1464 3 51 VAL MG2 3 52 CYS H . . 4.560 3.540 3.422 3.690 . 0 0 "[ . 1 . 2]" 1
1465 3 51 VAL MG2 4 23 TYR QE . . 3.510 3.590 3.525 3.690 0.180 13 0 "[ . 1 . 2]" 1
1466 3 52 CYS HB2 3 53 ILE H . . 5.100 4.057 3.714 4.429 . 0 0 "[ . 1 . 2]" 1
1467 3 52 CYS HB3 3 53 ILE H . . 4.740 3.611 2.442 4.121 . 0 0 "[ . 1 . 2]" 1
1468 3 53 ILE H 3 53 ILE MD . . 3.750 3.409 3.270 3.560 . 0 0 "[ . 1 . 2]" 1
1469 3 53 ILE H 3 53 ILE HG12 . . 5.090 2.571 2.384 2.730 . 0 0 "[ . 1 . 2]" 1
1470 3 53 ILE H 3 53 ILE QG . . 4.340 2.541 2.362 2.693 . 0 0 "[ . 1 . 2]" 1
1471 3 53 ILE H 3 53 ILE HG13 . . 5.090 3.967 3.846 4.124 . 0 0 "[ . 1 . 2]" 1
1472 3 53 ILE HA 3 53 ILE MD . . 4.030 2.190 2.106 2.298 . 0 0 "[ . 1 . 2]" 1
1473 3 53 ILE HA 3 57 LEU MD1 . . 5.500 3.757 3.478 4.100 . 0 0 "[ . 1 . 2]" 1
1474 3 53 ILE HB 3 53 ILE MD . . 3.280 3.230 3.213 3.247 . 0 0 "[ . 1 . 2]" 1
1475 3 53 ILE HB 3 54 ASP H . . 4.540 3.835 3.709 4.022 . 0 0 "[ . 1 . 2]" 1
1476 3 53 ILE HB 3 60 ILE QG . . 4.690 3.687 3.183 4.039 . 0 0 "[ . 1 . 2]" 1
1477 3 53 ILE MD 3 53 ILE MG . . 2.400 1.950 1.854 2.040 . 0 0 "[ . 1 . 2]" 1
1478 3 53 ILE MD 3 54 ASP H . . 4.860 3.789 3.606 3.994 . 0 0 "[ . 1 . 2]" 1
1479 3 53 ILE MD 3 59 TRP HH2 . . 4.370 3.517 2.783 4.392 0.022 15 0 "[ . 1 . 2]" 1
1480 3 53 ILE MD 3 59 TRP HZ2 . . 3.990 2.825 2.083 3.612 . 0 0 "[ . 1 . 2]" 1
1481 3 53 ILE MD 3 60 ILE QG . . 4.780 4.567 4.274 4.792 0.012 9 0 "[ . 1 . 2]" 1
1482 3 53 ILE QG 3 53 ILE MG . . 2.810 2.212 2.141 2.253 . 0 0 "[ . 1 . 2]" 1
1483 3 53 ILE QG 3 60 ILE QG . . 4.220 4.216 3.812 4.317 0.097 10 0 "[ . 1 . 2]" 1
1484 3 53 ILE HG12 3 53 ILE MG . . 3.270 3.170 3.146 3.189 . 0 0 "[ . 1 . 2]" 1
1485 3 53 ILE HG12 3 54 ASP H . . 5.160 5.096 5.037 5.166 0.006 9 0 "[ . 1 . 2]" 1
1486 3 53 ILE HG13 3 53 ILE MG . . 3.270 2.257 2.178 2.304 . 0 0 "[ . 1 . 2]" 1
1487 3 53 ILE HG13 3 54 ASP H . . 5.160 5.176 5.087 5.222 0.062 18 0 "[ . 1 . 2]" 1
1488 3 53 ILE MG 3 54 ASP H . . 4.230 2.304 2.153 2.484 . 0 0 "[ . 1 . 2]" 1
1489 3 53 ILE MG 3 55 PRO HA . . 5.210 3.858 3.450 4.289 . 0 0 "[ . 1 . 2]" 1
1490 3 53 ILE MG 3 59 TRP HZ2 . . 5.500 2.811 2.326 3.275 . 0 0 "[ . 1 . 2]" 1
1491 3 53 ILE MG 3 60 ILE QG . . 3.270 2.217 1.943 2.435 . 0 0 "[ . 1 . 2]" 1
1492 3 54 ASP H 3 54 ASP HB2 . . 3.980 2.606 2.412 2.884 . 0 0 "[ . 1 . 2]" 1
1493 3 54 ASP H 3 54 ASP HB3 . . 3.980 2.590 2.398 3.625 . 0 0 "[ . 1 . 2]" 1
1494 3 54 ASP H 3 57 LEU H . . 5.430 5.103 4.638 5.320 . 0 0 "[ . 1 . 2]" 1
1495 3 54 ASP H 3 57 LEU MD1 . . 4.420 2.906 2.443 3.412 . 0 0 "[ . 1 . 2]" 1
1496 3 54 ASP H 3 57 LEU HG . . 4.960 3.713 3.407 3.964 . 0 0 "[ . 1 . 2]" 1
1497 3 54 ASP HA 3 55 PRO QD . . 3.900 1.981 1.913 2.072 . 0 0 "[ . 1 . 2]" 1
1498 3 54 ASP HA 3 56 LYS H . . 5.140 3.669 3.506 3.832 . 0 0 "[ . 1 . 2]" 1
1499 3 54 ASP QB 3 57 LEU H . . 4.560 3.421 2.709 3.684 . 0 0 "[ . 1 . 2]" 1
1500 3 54 ASP QB 3 57 LEU MD1 . . 4.180 2.971 2.265 3.629 . 0 0 "[ . 1 . 2]" 1
1501 3 54 ASP QB 3 57 LEU MD2 . . 4.310 3.364 2.882 4.011 . 0 0 "[ . 1 . 2]" 1
1502 3 54 ASP QB 3 57 LEU HG . . 3.750 2.173 1.745 2.681 . 0 0 "[ . 1 . 2]" 1
1503 3 54 ASP HB2 3 57 LEU H . . 5.220 4.958 2.863 5.293 0.073 16 0 "[ . 1 . 2]" 1
1504 3 54 ASP HB2 3 57 LEU MD1 . . 4.780 4.050 3.140 4.795 0.015 16 0 "[ . 1 . 2]" 1
1505 3 54 ASP HB2 3 57 LEU MD2 . . 4.930 4.536 3.318 5.056 0.126 15 0 "[ . 1 . 2]" 1
1506 3 54 ASP HB3 3 57 LEU H . . 5.220 3.533 2.734 3.834 . 0 0 "[ . 1 . 2]" 1
1507 3 54 ASP HB3 3 57 LEU MD1 . . 4.780 3.121 2.297 4.533 . 0 0 "[ . 1 . 2]" 1
1508 3 54 ASP HB3 3 57 LEU MD2 . . 4.930 3.512 2.942 4.277 . 0 0 "[ . 1 . 2]" 1
1509 3 55 PRO HA 3 57 LEU H . . 5.420 3.633 3.497 3.995 . 0 0 "[ . 1 . 2]" 1
1510 3 55 PRO HA 3 60 ILE HB . . 5.410 3.677 3.275 4.019 . 0 0 "[ . 1 . 2]" 1
1511 3 55 PRO HA 3 60 ILE MD . . 3.740 3.783 3.750 3.817 0.077 15 0 "[ . 1 . 2]" 1
1512 3 55 PRO HA 3 60 ILE QG . . 4.250 3.052 2.715 3.526 . 0 0 "[ . 1 . 2]" 1
1513 3 55 PRO HA 3 60 ILE MG . . 3.750 1.955 1.833 2.102 . 0 0 "[ . 1 . 2]" 1
1514 3 55 PRO HB2 3 60 ILE MG . . 5.120 3.639 3.387 3.891 . 0 0 "[ . 1 . 2]" 1
1515 3 55 PRO HB3 3 60 ILE MG . . 4.960 3.589 3.218 3.912 . 0 0 "[ . 1 . 2]" 1
1516 3 55 PRO QD 3 56 LYS H . . 4.530 2.931 2.698 3.239 . 0 0 "[ . 1 . 2]" 1
1517 3 55 PRO HG2 3 56 LYS H . . 3.940 3.352 2.733 3.945 0.005 12 0 "[ . 1 . 2]" 1
1518 3 56 LYS H 3 56 LYS HB2 . . 3.740 2.469 2.111 3.720 . 0 0 "[ . 1 . 2]" 1
1519 3 56 LYS H 3 56 LYS QB . . 3.240 2.415 2.093 3.279 0.039 5 0 "[ . 1 . 2]" 1
1520 3 56 LYS H 3 56 LYS HB3 . . 3.740 3.607 3.461 3.707 . 0 0 "[ . 1 . 2]" 1
1521 3 56 LYS H 3 56 LYS QD . . 4.660 4.137 3.332 4.600 . 0 0 "[ . 1 . 2]" 1
1522 3 56 LYS H 3 56 LYS QE . . 4.660 4.132 3.345 4.810 0.150 11 0 "[ . 1 . 2]" 1
1523 3 56 LYS H 3 56 LYS HG2 . . 4.250 3.761 2.562 4.196 . 0 0 "[ . 1 . 2]" 1
1524 3 56 LYS H 3 56 LYS QG . . 3.680 2.581 2.205 2.941 . 0 0 "[ . 1 . 2]" 1
1525 3 56 LYS H 3 56 LYS HG3 . . 4.250 2.656 2.227 3.071 . 0 0 "[ . 1 . 2]" 1
1526 3 56 LYS H 3 57 LEU H . . 3.840 2.190 1.893 2.460 . 0 0 "[ . 1 . 2]" 1
1527 3 56 LYS H 3 60 ILE HB . . 5.500 4.563 4.044 4.855 . 0 0 "[ . 1 . 2]" 1
1528 3 56 LYS H 3 60 ILE MG . . 4.460 4.210 3.535 4.498 0.038 7 0 "[ . 1 . 2]" 1
1529 3 56 LYS HA 3 56 LYS QE . . 5.500 4.256 3.587 4.655 . 0 0 "[ . 1 . 2]" 1
1530 3 56 LYS HA 3 56 LYS HG2 . . 3.990 2.644 2.442 3.522 . 0 0 "[ . 1 . 2]" 1
1531 3 56 LYS HA 3 56 LYS QG . . 3.460 2.474 2.332 3.281 . 0 0 "[ . 1 . 2]" 1
1532 3 56 LYS HA 3 56 LYS HG3 . . 3.990 3.011 2.514 3.914 . 0 0 "[ . 1 . 2]" 1
1533 3 56 LYS HA 3 61 GLN HE21 . . 5.210 3.023 2.268 4.318 . 0 0 "[ . 1 . 2]" 1
1534 3 56 LYS HA 3 61 GLN HE22 . . 4.380 2.346 1.724 3.188 . 0 0 "[ . 1 . 2]" 1
1535 3 56 LYS HA 3 61 GLN QG . . 4.260 3.793 3.278 4.207 . 0 0 "[ . 1 . 2]" 1
1536 3 56 LYS QB 3 56 LYS QD . . 2.510 2.361 2.231 2.510 . 5 0 "[ . 1 . 2]" 1
1537 3 56 LYS QB 3 56 LYS QE . . 2.600 2.035 1.861 2.497 . 0 0 "[ . 1 . 2]" 1
1538 3 56 LYS QB 3 56 LYS QG . . 2.340 2.090 2.052 2.106 . 0 0 "[ . 1 . 2]" 1
1539 3 56 LYS HB2 3 56 LYS QD . . 2.940 2.681 2.285 2.975 0.035 19 0 "[ . 1 . 2]" 1
1540 3 56 LYS HB2 3 56 LYS QE . . 3.120 2.456 1.886 3.017 . 0 0 "[ . 1 . 2]" 1
1541 3 56 LYS HB3 3 56 LYS QD . . 2.940 2.759 2.371 3.125 0.185 6 0 "[ . 1 . 2]" 1
1542 3 56 LYS HB3 3 56 LYS QE . . 3.120 2.571 1.885 3.394 0.274 20 0 "[ . 1 . 2]" 1
1543 3 56 LYS QE 3 56 LYS HG2 . . 3.840 2.915 2.293 3.520 . 0 0 "[ . 1 . 2]" 1
1544 3 56 LYS QE 3 56 LYS QG . . 3.290 2.409 2.167 2.854 . 0 0 "[ . 1 . 2]" 1
1545 3 56 LYS QE 3 56 LYS HG3 . . 3.840 2.906 2.197 3.450 . 0 0 "[ . 1 . 2]" 1
1546 3 57 LEU H 3 57 LEU HB2 . . 3.970 2.262 1.978 2.431 . 0 0 "[ . 1 . 2]" 1
1547 3 57 LEU H 3 57 LEU HB3 . . 3.710 3.460 2.739 3.626 . 0 0 "[ . 1 . 2]" 1
1548 3 57 LEU H 3 57 LEU MD1 . . 4.770 3.705 3.572 4.035 . 0 0 "[ . 1 . 2]" 1
1549 3 57 LEU H 3 57 LEU HG . . 3.680 2.891 2.473 3.851 0.171 17 0 "[ . 1 . 2]" 1
1550 3 57 LEU H 3 60 ILE HB . . 4.160 2.925 2.565 3.155 . 0 0 "[ . 1 . 2]" 1
1551 3 57 LEU H 3 60 ILE MD . . 5.140 4.934 4.750 5.141 0.001 17 0 "[ . 1 . 2]" 1
1552 3 57 LEU H 3 60 ILE QG . . 4.310 3.401 3.164 3.706 . 0 0 "[ . 1 . 2]" 1
1553 3 57 LEU H 3 60 ILE MG . . 4.900 3.659 3.257 3.938 . 0 0 "[ . 1 . 2]" 1
1554 3 57 LEU HA 3 57 LEU MD1 . . 4.730 3.796 3.718 3.866 . 0 0 "[ . 1 . 2]" 1
1555 3 57 LEU HA 3 57 LEU MD2 . . 3.450 2.019 1.889 2.472 . 0 0 "[ . 1 . 2]" 1
1556 3 57 LEU HA 3 60 ILE H . . 5.500 4.557 4.363 5.546 0.046 17 0 "[ . 1 . 2]" 1
1557 3 57 LEU HA 3 60 ILE QG . . 5.170 4.707 4.502 5.121 . 0 0 "[ . 1 . 2]" 1
1558 3 57 LEU HB2 3 57 LEU MD1 . . 3.290 2.253 2.178 2.343 . 0 0 "[ . 1 . 2]" 1
1559 3 57 LEU HB2 3 57 LEU MD2 . . 3.280 3.130 3.090 3.207 . 0 0 "[ . 1 . 2]" 1
1560 3 57 LEU HB2 3 60 ILE H . . 4.970 3.064 2.542 4.141 . 0 0 "[ . 1 . 2]" 1
1561 3 57 LEU HB2 3 60 ILE HB . . 5.030 2.566 2.153 3.130 . 0 0 "[ . 1 . 2]" 1
1562 3 57 LEU HB2 3 60 ILE QG . . 4.150 2.220 1.969 2.902 . 0 0 "[ . 1 . 2]" 1
1563 3 57 LEU HB2 3 61 GLN H . . 5.230 4.437 3.884 5.242 0.012 17 0 "[ . 1 . 2]" 1
1564 3 57 LEU HB3 3 58 LYS H . . 5.140 2.789 1.646 3.530 . 0 0 "[ . 1 . 2]" 1
1565 3 57 LEU HB3 3 60 ILE H . . 4.730 2.728 2.480 2.982 . 0 0 "[ . 1 . 2]" 1
1566 3 57 LEU HB3 3 60 ILE HB . . 5.060 3.483 2.340 3.971 . 0 0 "[ . 1 . 2]" 1
1567 3 57 LEU HB3 3 60 ILE MD . . 5.030 4.544 3.908 5.004 . 0 0 "[ . 1 . 2]" 1
1568 3 57 LEU HB3 3 60 ILE HG12 . . 4.790 3.033 2.362 3.554 . 0 0 "[ . 1 . 2]" 1
1569 3 57 LEU HB3 3 60 ILE QG . . 4.130 2.934 2.236 3.397 . 0 0 "[ . 1 . 2]" 1
1570 3 57 LEU HB3 3 60 ILE HG13 . . 4.790 3.947 2.763 4.318 . 0 0 "[ . 1 . 2]" 1
1571 3 57 LEU HB3 3 61 GLN H . . 5.500 4.483 4.018 4.733 . 0 0 "[ . 1 . 2]" 1
1572 3 57 LEU MD1 3 59 TRP HD1 . . 4.640 3.373 3.012 3.815 . 0 0 "[ . 1 . 2]" 1
1573 3 57 LEU MD1 3 59 TRP HE1 . . 4.010 2.059 1.769 2.446 . 0 0 "[ . 1 . 2]" 1
1574 3 57 LEU MD1 3 59 TRP HZ2 . . 3.880 3.116 2.804 3.417 . 0 0 "[ . 1 . 2]" 1
1575 3 57 LEU MD1 3 60 ILE H . . 5.500 3.954 3.385 4.354 . 0 0 "[ . 1 . 2]" 1
1576 3 57 LEU MD1 3 60 ILE QG . . 3.640 2.491 2.043 3.034 . 0 0 "[ . 1 . 2]" 1
1577 3 57 LEU MD2 3 58 LYS H . . 5.320 2.795 1.757 3.151 . 0 0 "[ . 1 . 2]" 1
1578 3 57 LEU MD2 3 59 TRP HD1 . . 3.350 3.181 2.404 3.451 0.101 6 0 "[ . 1 . 2]" 1
1579 3 57 LEU MD2 3 59 TRP HE1 . . 4.010 3.227 2.919 3.481 . 0 0 "[ . 1 . 2]" 1
1580 3 57 LEU MD2 3 59 TRP HZ2 . . 5.240 5.116 4.645 5.281 0.041 2 0 "[ . 1 . 2]" 1
1581 3 57 LEU MD2 3 60 ILE H . . 5.500 4.373 3.318 4.722 . 0 0 "[ . 1 . 2]" 1
1582 3 57 LEU MD2 3 60 ILE QG . . 4.060 4.137 3.691 4.262 0.202 14 0 "[ . 1 . 2]" 1
1583 3 57 LEU HG 3 60 ILE HB . . 5.120 4.772 4.269 5.212 0.092 17 0 "[ . 1 . 2]" 1
1584 3 57 LEU HG 3 60 ILE QG . . 5.210 3.946 3.540 4.721 . 0 0 "[ . 1 . 2]" 1
1585 3 58 LYS H 3 58 LYS QD . . 5.340 4.421 4.079 5.121 . 0 0 "[ . 1 . 2]" 1
1586 3 58 LYS HA 3 58 LYS HD2 . . 4.430 3.420 2.084 4.368 . 0 0 "[ . 1 . 2]" 1
1587 3 58 LYS HA 3 58 LYS QD . . 3.840 2.804 2.038 3.912 0.072 17 0 "[ . 1 . 2]" 1
1588 3 58 LYS HA 3 58 LYS HD3 . . 4.430 3.317 2.152 4.530 0.100 5 0 "[ . 1 . 2]" 1
1589 3 58 LYS HA 3 58 LYS QE . . 4.770 4.062 2.272 4.693 . 0 0 "[ . 1 . 2]" 1
1590 3 58 LYS HA 3 58 LYS HG2 . . 4.150 3.335 2.512 3.871 . 0 0 "[ . 1 . 2]" 1
1591 3 58 LYS HA 3 58 LYS QG . . 3.620 2.775 2.309 3.241 . 0 0 "[ . 1 . 2]" 1
1592 3 58 LYS HA 3 58 LYS HG3 . . 4.150 3.193 2.409 3.743 . 0 0 "[ . 1 . 2]" 1
1593 3 58 LYS HA 3 61 GLN H . . 4.770 3.285 2.886 4.048 . 0 0 "[ . 1 . 2]" 1
1594 3 58 LYS HA 3 61 GLN QG . . 4.260 2.217 1.848 3.039 . 0 0 "[ . 1 . 2]" 1
1595 3 58 LYS HA 3 62 GLU H . . 5.020 4.029 3.744 4.875 . 0 0 "[ . 1 . 2]" 1
1596 3 58 LYS QB 3 58 LYS HD2 . . 3.620 2.859 2.339 3.568 . 0 0 "[ . 1 . 2]" 1
1597 3 58 LYS QB 3 58 LYS QD . . 3.140 2.420 2.057 2.938 . 0 0 "[ . 1 . 2]" 1
1598 3 58 LYS QB 3 58 LYS HD3 . . 3.620 2.695 2.267 3.506 . 0 0 "[ . 1 . 2]" 1
1599 3 58 LYS QB 3 58 LYS QE . . 4.260 3.303 1.967 3.887 . 0 0 "[ . 1 . 2]" 1
1600 3 58 LYS QB 3 59 TRP H . . 4.070 2.637 1.986 3.041 . 0 0 "[ . 1 . 2]" 1
1601 3 58 LYS QD 3 58 LYS QG . . 2.350 2.060 1.993 2.107 . 0 0 "[ . 1 . 2]" 1
1602 3 58 LYS QD 3 59 TRP H . . 5.130 4.269 3.322 4.771 . 0 0 "[ . 1 . 2]" 1
1603 3 58 LYS QD 3 62 GLU HG2 . . 4.860 3.331 1.994 4.937 0.077 17 0 "[ . 1 . 2]" 1
1604 3 58 LYS QG 3 59 TRP H . . 5.340 3.758 2.972 4.456 . 0 0 "[ . 1 . 2]" 1
1605 3 58 LYS QG 3 62 GLU HG2 . . 4.560 3.377 2.474 4.593 0.033 8 0 "[ . 1 . 2]" 1
1606 3 58 LYS QG 3 62 GLU HG3 . . 4.210 3.821 2.936 4.298 0.088 1 0 "[ . 1 . 2]" 1
1607 3 59 TRP H 3 59 TRP HB3 . . 4.190 2.848 2.710 2.996 . 0 0 "[ . 1 . 2]" 1
1608 3 59 TRP H 3 59 TRP HE1 . . 5.390 4.646 4.308 4.927 . 0 0 "[ . 1 . 2]" 1
1609 3 59 TRP H 3 60 ILE H . . 4.410 2.572 2.487 2.656 . 0 0 "[ . 1 . 2]" 1
1610 3 59 TRP HA 3 62 GLU H . . 4.950 3.409 3.111 3.760 . 0 0 "[ . 1 . 2]" 1
1611 3 59 TRP HA 3 62 GLU HB2 . . 4.740 2.742 2.418 3.139 . 0 0 "[ . 1 . 2]" 1
1612 3 59 TRP HA 3 62 GLU HB3 . . 4.760 4.340 3.889 4.784 0.024 4 0 "[ . 1 . 2]" 1
1613 3 59 TRP HA 3 62 GLU HG2 . . 5.220 3.513 2.733 4.777 . 0 0 "[ . 1 . 2]" 1
1614 3 59 TRP HA 3 62 GLU HG3 . . 5.100 3.430 2.580 4.306 . 0 0 "[ . 1 . 2]" 1
1615 3 59 TRP HA 3 63 TYR H . . 5.490 3.922 3.715 4.096 . 0 0 "[ . 1 . 2]" 1
1616 3 59 TRP HB3 3 59 TRP HD1 . . 3.450 2.785 2.662 2.897 . 0 0 "[ . 1 . 2]" 1
1617 3 59 TRP HE3 3 60 ILE MD . . 4.830 3.144 2.965 3.449 . 0 0 "[ . 1 . 2]" 1
1618 3 59 TRP HZ2 3 60 ILE QG . . 4.300 4.059 3.848 4.257 . 0 0 "[ . 1 . 2]" 1
1619 3 60 ILE H 3 60 ILE HB . . 4.010 2.468 2.358 2.586 . 0 0 "[ . 1 . 2]" 1
1620 3 60 ILE H 3 60 ILE MD . . 4.460 3.549 3.357 3.725 . 0 0 "[ . 1 . 2]" 1
1621 3 60 ILE H 3 60 ILE HG12 . . 4.540 2.502 2.387 2.615 . 0 0 "[ . 1 . 2]" 1
1622 3 60 ILE H 3 60 ILE QG . . 3.800 2.470 2.359 2.573 . 0 0 "[ . 1 . 2]" 1
1623 3 60 ILE H 3 60 ILE HG13 . . 4.540 3.811 3.690 3.870 . 0 0 "[ . 1 . 2]" 1
1624 3 60 ILE H 3 60 ILE MG . . 4.400 3.763 3.722 3.806 . 0 0 "[ . 1 . 2]" 1
1625 3 60 ILE H 3 61 GLN H . . 4.070 2.554 2.463 2.656 . 0 0 "[ . 1 . 2]" 1
1626 3 60 ILE H 3 62 GLU H . . 5.350 4.197 4.074 4.393 . 0 0 "[ . 1 . 2]" 1
1627 3 60 ILE HA 3 60 ILE MD . . 3.750 2.023 1.969 2.082 . 0 0 "[ . 1 . 2]" 1
1628 3 60 ILE HA 3 60 ILE QG . . 3.730 2.879 2.729 2.982 . 0 0 "[ . 1 . 2]" 1
1629 3 60 ILE HA 3 63 TYR QD . . 5.020 4.304 4.013 4.502 . 0 0 "[ . 1 . 2]" 1
1630 3 60 ILE HB 3 60 ILE MD . . 3.460 3.224 3.203 3.245 . 0 0 "[ . 1 . 2]" 1
1631 3 60 ILE HB 3 61 GLN H . . 4.130 2.667 2.451 2.862 . 0 0 "[ . 1 . 2]" 1
1632 3 60 ILE HB 3 64 LEU MD1 . . 4.390 4.313 4.092 4.421 0.031 8 0 "[ . 1 . 2]" 1
1633 3 60 ILE MD 3 64 LEU H . . 5.080 4.952 4.616 5.107 0.027 7 0 "[ . 1 . 2]" 1
1634 3 60 ILE QG 3 61 GLN H . . 5.340 4.164 3.992 4.353 . 0 0 "[ . 1 . 2]" 1
1635 3 60 ILE MG 3 61 GLN H . . 4.510 3.268 3.091 3.477 . 0 0 "[ . 1 . 2]" 1
1636 3 60 ILE MG 3 61 GLN QG . . 5.490 4.202 3.868 4.484 . 0 0 "[ . 1 . 2]" 1
1637 3 60 ILE MG 3 63 TYR H . . 5.280 4.607 4.503 4.802 . 0 0 "[ . 1 . 2]" 1
1638 3 60 ILE MG 3 64 LEU H . . 4.880 3.767 3.634 3.888 . 0 0 "[ . 1 . 2]" 1
1639 3 61 GLN H 3 61 GLN QB . . 3.620 2.623 2.513 2.717 . 0 0 "[ . 1 . 2]" 1
1640 3 61 GLN H 3 61 GLN HE21 . . 5.360 3.451 2.465 4.877 . 0 0 "[ . 1 . 2]" 1
1641 3 61 GLN H 3 61 GLN HE22 . . 4.860 4.530 4.070 4.924 0.064 6 0 "[ . 1 . 2]" 1
1642 3 61 GLN H 3 61 GLN QG . . 3.740 2.091 1.923 2.268 . 0 0 "[ . 1 . 2]" 1
1643 3 61 GLN H 3 62 GLU H . . 4.180 2.779 2.552 2.909 . 0 0 "[ . 1 . 2]" 1
1644 3 61 GLN HA 3 61 GLN HE22 . . 5.030 3.577 3.264 3.950 . 0 0 "[ . 1 . 2]" 1
1645 3 61 GLN HA 3 61 GLN QG . . 3.990 3.107 2.953 3.286 . 0 0 "[ . 1 . 2]" 1
1646 3 61 GLN HA 3 64 LEU H . . 4.980 3.800 3.300 4.108 . 0 0 "[ . 1 . 2]" 1
1647 3 61 GLN HA 3 64 LEU MD1 . . 4.130 2.738 2.239 3.580 . 0 0 "[ . 1 . 2]" 1
1648 3 61 GLN HA 3 65 GLU H . . 5.300 4.072 3.816 4.404 . 0 0 "[ . 1 . 2]" 1
1649 3 61 GLN HE21 3 64 LEU MD1 . . 4.760 3.949 3.138 4.877 0.117 16 0 "[ . 1 . 2]" 1
1650 3 61 GLN QG 4 29 PRO HB2 . . 5.500 3.658 2.107 5.264 . 0 0 "[ . 1 . 2]" 1
1651 3 61 GLN QG 4 29 PRO QB . . 4.780 2.657 1.878 4.165 . 0 0 "[ . 1 . 2]" 1
1652 3 61 GLN QG 4 29 PRO HB3 . . 5.500 2.757 1.892 4.366 . 0 0 "[ . 1 . 2]" 1
1653 3 62 GLU H 3 62 GLU HG2 . . 4.060 2.307 1.988 3.142 . 0 0 "[ . 1 . 2]" 1
1654 3 62 GLU H 3 62 GLU HG3 . . 4.270 3.542 2.065 3.893 . 0 0 "[ . 1 . 2]" 1
1655 3 62 GLU H 3 63 TYR H . . 4.180 2.718 2.573 2.835 . 0 0 "[ . 1 . 2]" 1
1656 3 62 GLU HA 3 62 GLU HG2 . . 4.200 3.013 2.502 3.293 . 0 0 "[ . 1 . 2]" 1
1657 3 62 GLU HA 3 62 GLU HG3 . . 3.900 3.739 3.122 3.854 . 0 0 "[ . 1 . 2]" 1
1658 3 62 GLU HA 3 65 GLU H . . 4.630 3.596 3.346 3.867 . 0 0 "[ . 1 . 2]" 1
1659 3 62 GLU HA 3 65 GLU HB2 . . 4.050 2.593 2.372 2.730 . 0 0 "[ . 1 . 2]" 1
1660 3 62 GLU HA 3 65 GLU HB3 . . 4.040 4.126 3.985 4.187 0.147 2 0 "[ . 1 . 2]" 1
1661 3 62 GLU HA 3 66 LYS H . . 5.280 3.839 3.381 4.254 . 0 0 "[ . 1 . 2]" 1
1662 3 62 GLU HB2 3 63 TYR H . . 4.840 2.511 2.277 2.832 . 0 0 "[ . 1 . 2]" 1
1663 3 62 GLU HB3 3 62 GLU HG3 . . 2.420 2.458 2.374 2.788 0.368 8 0 "[ . 1 . 2]" 1
1664 3 63 TYR H 3 63 TYR HB2 . . 3.770 2.377 2.244 2.463 . 0 0 "[ . 1 . 2]" 1
1665 3 63 TYR H 3 63 TYR HB3 . . 3.910 2.652 2.562 2.744 . 0 0 "[ . 1 . 2]" 1
1666 3 63 TYR H 3 63 TYR QD . . 4.770 4.112 3.995 4.171 . 0 0 "[ . 1 . 2]" 1
1667 3 63 TYR H 3 64 LEU H . . 4.250 2.729 2.584 2.861 . 0 0 "[ . 1 . 2]" 1
1668 3 63 TYR H 3 66 LYS HG2 . . 5.450 4.748 3.982 5.518 0.068 14 0 "[ . 1 . 2]" 1
1669 3 63 TYR HA 3 63 TYR QD . . 3.500 2.835 2.594 3.085 . 0 0 "[ . 1 . 2]" 1
1670 3 63 TYR HB2 3 64 LEU H . . 4.270 3.690 3.529 3.838 . 0 0 "[ . 1 . 2]" 1
1671 3 63 TYR HB3 3 64 LEU H . . 4.550 2.427 2.169 2.614 . 0 0 "[ . 1 . 2]" 1
1672 3 63 TYR QD 3 64 LEU HG . . 3.980 3.855 3.445 4.041 0.061 18 0 "[ . 1 . 2]" 1
1673 3 63 TYR QE 3 67 CYS HB2 . . 4.600 4.439 4.140 4.696 0.096 3 0 "[ . 1 . 2]" 1
1674 3 64 LEU H 3 64 LEU MD1 . . 4.390 3.589 3.502 3.661 . 0 0 "[ . 1 . 2]" 1
1675 3 64 LEU H 3 64 LEU MD2 . . 4.190 3.313 3.195 3.436 . 0 0 "[ . 1 . 2]" 1
1676 3 64 LEU H 3 64 LEU HG . . 3.660 2.251 2.154 2.334 . 0 0 "[ . 1 . 2]" 1
1677 3 64 LEU H 3 65 GLU H . . 4.150 2.719 2.636 2.803 . 0 0 "[ . 1 . 2]" 1
1678 3 64 LEU HA 3 64 LEU MD1 . . 4.400 3.893 3.858 3.915 . 0 0 "[ . 1 . 2]" 1
1679 3 64 LEU HA 3 64 LEU MD2 . . 3.300 2.105 2.027 2.139 . 0 0 "[ . 1 . 2]" 1
1680 3 64 LEU HA 3 64 LEU HG . . 4.220 3.138 3.059 3.213 . 0 0 "[ . 1 . 2]" 1
1681 3 64 LEU HA 3 67 CYS H . . 4.290 3.793 3.548 4.029 . 0 0 "[ . 1 . 2]" 1
1682 3 64 LEU HA 3 68 LEU H . . 5.300 4.754 4.074 5.307 0.007 5 0 "[ . 1 . 2]" 1
1683 3 64 LEU HB2 3 64 LEU MD2 . . 3.280 3.196 3.179 3.210 . 0 0 "[ . 1 . 2]" 1
1684 3 64 LEU HB2 3 65 GLU H . . 5.190 2.390 2.246 2.771 . 0 0 "[ . 1 . 2]" 1
1685 3 64 LEU HB3 3 65 GLU H . . 5.270 3.470 3.357 3.767 . 0 0 "[ . 1 . 2]" 1
1686 3 64 LEU MD1 3 65 GLU H . . 4.790 4.308 4.145 4.733 . 0 0 "[ . 1 . 2]" 1
1687 3 65 GLU H 3 65 GLU HB2 . . 3.680 2.357 2.261 2.510 . 0 0 "[ . 1 . 2]" 1
1688 3 65 GLU H 3 65 GLU HB3 . . 3.930 3.578 3.543 3.608 . 0 0 "[ . 1 . 2]" 1
1689 3 65 GLU H 3 65 GLU HG2 . . 4.160 3.449 3.347 3.566 . 0 0 "[ . 1 . 2]" 1
1690 3 65 GLU H 3 65 GLU HG3 . . 4.120 2.389 2.215 2.601 . 0 0 "[ . 1 . 2]" 1
1691 3 65 GLU H 3 66 LYS H . . 4.060 2.755 2.665 2.872 . 0 0 "[ . 1 . 2]" 1
1692 3 65 GLU HA 3 65 GLU HG3 . . 4.000 3.089 2.990 3.197 . 0 0 "[ . 1 . 2]" 1
1693 3 65 GLU HA 3 68 LEU H . . 4.610 3.785 3.352 4.264 . 0 0 "[ . 1 . 2]" 1
1694 3 65 GLU HA 3 68 LEU QD . . 3.810 2.481 1.901 3.619 . 0 0 "[ . 1 . 2]" 1
1695 3 65 GLU HB2 3 66 LYS H . . 4.340 2.757 2.445 3.025 . 0 0 "[ . 1 . 2]" 1
1696 3 65 GLU HB3 3 66 LYS H . . 4.540 3.615 3.377 3.835 . 0 0 "[ . 1 . 2]" 1
1697 3 65 GLU HG2 3 66 LYS H . . 5.100 5.056 4.908 5.128 0.028 12 0 "[ . 1 . 2]" 1
1698 3 65 GLU HG3 3 66 LYS H . . 4.830 4.516 4.312 4.687 . 0 0 "[ . 1 . 2]" 1
1699 3 66 LYS H 3 66 LYS HB2 . . 3.850 2.601 2.228 2.812 . 0 0 "[ . 1 . 2]" 1
1700 3 66 LYS H 3 66 LYS HB3 . . 3.740 3.663 3.505 3.731 . 0 0 "[ . 1 . 2]" 1
1701 3 66 LYS H 3 66 LYS QD . . 4.450 3.295 2.683 3.895 . 0 0 "[ . 1 . 2]" 1
1702 3 66 LYS H 3 66 LYS QE . . 5.210 4.113 2.463 5.127 . 0 0 "[ . 1 . 2]" 1
1703 3 66 LYS H 3 66 LYS HG2 . . 4.100 2.443 2.195 3.984 . 0 0 "[ . 1 . 2]" 1
1704 3 66 LYS H 3 66 LYS HG3 . . 4.130 3.827 3.637 4.150 0.020 14 0 "[ . 1 . 2]" 1
1705 3 66 LYS H 3 67 CYS H . . 3.430 2.564 2.420 2.718 . 0 0 "[ . 1 . 2]" 1
1706 3 66 LYS HA 3 66 LYS QD . . 3.610 2.174 1.923 3.440 . 0 0 "[ . 1 . 2]" 1
1707 3 66 LYS HA 3 66 LYS HG3 . . 3.980 3.724 2.724 3.927 . 0 0 "[ . 1 . 2]" 1
1708 3 66 LYS HB2 3 66 LYS QD . . 3.400 3.313 2.622 3.476 0.076 6 0 "[ . 1 . 2]" 1
1709 3 66 LYS HB2 3 67 CYS H . . 4.600 2.978 2.606 3.645 . 0 0 "[ . 1 . 2]" 1
1710 3 66 LYS HB3 3 66 LYS QD . . 3.520 2.592 2.374 3.558 0.038 14 0 "[ . 1 . 2]" 1
1711 3 66 LYS HB3 3 66 LYS QE . . 3.980 3.766 2.093 4.103 0.123 2 0 "[ . 1 . 2]" 1
1712 3 66 LYS QD 3 66 LYS HG2 . . 2.400 2.326 2.114 2.410 0.010 2 0 "[ . 1 . 2]" 1
1713 3 66 LYS QD 3 66 LYS HG3 . . 2.400 2.340 2.169 2.405 0.005 14 0 "[ . 1 . 2]" 1
1714 3 66 LYS QE 3 66 LYS HG2 . . 3.300 2.617 2.229 3.317 0.017 3 0 "[ . 1 . 2]" 1
1715 3 66 LYS QE 3 66 LYS HG3 . . 3.300 2.493 2.343 3.304 0.004 6 0 "[ . 1 . 2]" 1
1716 3 66 LYS HG3 3 67 CYS H . . 5.490 5.215 4.836 5.529 0.039 2 0 "[ . 1 . 2]" 1
1717 3 67 CYS H 3 67 CYS HB2 . . 3.900 2.560 2.410 2.934 . 0 0 "[ . 1 . 2]" 1
1718 3 67 CYS H 3 67 CYS HB3 . . 3.970 2.871 2.422 3.711 . 0 0 "[ . 1 . 2]" 1
1719 3 67 CYS H 3 68 LEU H . . 3.920 2.681 2.149 2.972 . 0 0 "[ . 1 . 2]" 1
1720 3 67 CYS H 3 70 LYS QD . . 4.990 4.751 4.046 5.211 0.221 2 0 "[ . 1 . 2]" 1
1721 3 67 CYS H 3 70 LYS QG . . 4.360 4.271 3.856 4.538 0.178 7 0 "[ . 1 . 2]" 1
1722 3 67 CYS HA 3 70 LYS H . . 4.690 3.721 2.865 4.736 0.046 18 0 "[ . 1 . 2]" 1
1723 3 67 CYS HB2 3 68 LEU H . . 5.380 3.826 3.083 4.210 . 0 0 "[ . 1 . 2]" 1
1724 3 67 CYS HB3 3 68 LEU H . . 5.490 3.166 2.403 4.196 . 0 0 "[ . 1 . 2]" 1
1725 3 68 LEU H 3 68 LEU HB2 . . 4.160 2.933 2.026 3.771 . 0 0 "[ . 1 . 2]" 1
1726 3 68 LEU H 3 68 LEU QB . . 3.650 2.510 1.947 2.930 . 0 0 "[ . 1 . 2]" 1
1727 3 68 LEU H 3 68 LEU HB3 . . 4.160 3.189 2.372 3.692 . 0 0 "[ . 1 . 2]" 1
1728 3 68 LEU H 3 68 LEU MD1 . . 4.090 3.421 1.824 4.171 0.081 17 0 "[ . 1 . 2]" 1
1729 3 68 LEU H 3 68 LEU MD2 . . 4.090 3.138 1.845 4.105 0.015 6 0 "[ . 1 . 2]" 1
1730 3 68 LEU H 3 68 LEU HG . . 4.180 3.294 2.328 4.275 0.095 6 0 "[ . 1 . 2]" 1
1731 3 68 LEU H 3 69 ASN H . . 4.240 2.706 2.270 3.847 . 0 0 "[ . 1 . 2]" 1
1732 3 68 LEU HA 3 68 LEU QD . . 3.960 2.672 1.969 3.419 . 0 0 "[ . 1 . 2]" 1
1733 3 68 LEU QB 3 68 LEU QD . . 2.670 1.977 1.880 2.082 . 0 0 "[ . 1 . 2]" 1
1734 3 68 LEU QB 3 68 LEU HG . . 2.410 2.291 2.078 2.448 0.038 2 0 "[ . 1 . 2]" 1
1735 3 68 LEU HB2 3 69 ASN H . . 4.430 3.454 2.288 4.377 . 0 0 "[ . 1 . 2]" 1
1736 3 68 LEU HB3 3 69 ASN H . . 4.430 3.758 2.758 4.437 0.007 12 0 "[ . 1 . 2]" 1
1737 3 68 LEU QD 3 69 ASN H . . 4.240 3.462 2.323 4.210 . 0 0 "[ . 1 . 2]" 1
1738 3 69 ASN H 3 69 ASN HB2 . . 4.140 2.723 2.420 3.423 . 0 0 "[ . 1 . 2]" 1
1739 3 69 ASN H 3 69 ASN QB . . 3.610 2.450 2.217 3.026 . 0 0 "[ . 1 . 2]" 1
1740 3 69 ASN H 3 69 ASN HB3 . . 4.140 3.075 2.398 3.878 . 0 0 "[ . 1 . 2]" 1
1741 3 69 ASN H 3 70 LYS H . . 4.330 2.494 2.047 3.833 . 0 0 "[ . 1 . 2]" 1
1742 3 69 ASN HA 3 69 ASN HD21 . . 4.290 3.270 1.941 4.296 0.006 18 0 "[ . 1 . 2]" 1
1743 3 69 ASN HA 3 69 ASN HD22 . . 4.290 4.061 3.550 4.420 0.130 18 0 "[ . 1 . 2]" 1
1744 3 69 ASN QB 3 70 LYS H . . 4.350 2.922 2.118 3.951 . 0 0 "[ . 1 . 2]" 1
1745 3 69 ASN QB 3 70 LYS QB . . 4.920 4.389 3.461 4.967 0.047 13 0 "[ . 1 . 2]" 1
1746 3 69 ASN HB2 3 70 LYS H . . 5.210 3.699 2.224 4.545 . 0 0 "[ . 1 . 2]" 1
1747 3 69 ASN HB3 3 70 LYS H . . 5.210 3.298 2.132 4.357 . 0 0 "[ . 1 . 2]" 1
1748 3 70 LYS H 3 70 LYS QB . . 3.490 2.827 2.403 3.408 . 0 0 "[ . 1 . 2]" 1
1749 3 70 LYS H 3 70 LYS QG . . 4.080 2.561 2.068 4.080 . 0 0 "[ . 1 . 2]" 1
1750 3 70 LYS HA 3 70 LYS QD . . 3.920 3.644 2.025 4.191 0.271 3 0 "[ . 1 . 2]" 1
1751 3 70 LYS HA 3 70 LYS QE . . 5.500 4.320 2.493 5.467 . 0 0 "[ . 1 . 2]" 1
1752 3 70 LYS QB 3 70 LYS QE . . 4.340 2.790 1.909 3.657 . 0 0 "[ . 1 . 2]" 1
1753 3 70 LYS HB2 3 70 LYS QE . . 5.100 3.501 1.956 4.192 . 0 0 "[ . 1 . 2]" 1
1754 3 70 LYS HB3 3 70 LYS QE . . 5.100 3.135 1.935 4.171 . 0 0 "[ . 1 . 2]" 1
1755 4 4 GLU H 4 4 GLU HB2 . . 3.520 2.634 2.298 3.621 0.101 19 0 "[ . 1 . 2]" 1
1756 4 4 GLU H 4 4 GLU QB . . 3.050 2.438 2.271 2.895 . 0 0 "[ . 1 . 2]" 1
1757 4 4 GLU H 4 4 GLU HB3 . . 3.520 3.422 2.676 3.601 0.081 15 0 "[ . 1 . 2]" 1
1758 4 4 GLU H 4 4 GLU QG . . 3.680 2.407 1.851 2.927 . 0 0 "[ . 1 . 2]" 1
1759 4 4 GLU QB 4 4 GLU QG . . 2.340 2.056 1.983 2.087 . 0 0 "[ . 1 . 2]" 1
1760 4 5 GLY QA 4 6 ILE H . . 3.160 2.413 2.120 2.898 . 0 0 "[ . 1 . 2]" 1
1761 4 6 ILE H 4 6 ILE HB . . 3.400 2.718 2.474 3.495 0.095 7 0 "[ . 1 . 2]" 1
1762 4 6 ILE H 4 6 ILE QG . . 3.920 2.574 1.783 3.974 0.054 20 0 "[ . 1 . 2]" 1
1763 4 6 ILE H 4 6 ILE MG . . 3.940 3.545 1.940 4.021 0.081 7 0 "[ . 1 . 2]" 1
1764 4 6 ILE MD 4 6 ILE MG . . 2.400 1.933 1.870 2.021 . 0 0 "[ . 1 . 2]" 1
1765 4 6 ILE MD 4 7 SER H . . 5.150 4.665 3.608 5.287 0.137 18 0 "[ . 1 . 2]" 1
1766 4 7 SER QB 4 8 ILE H . . 4.290 3.185 2.025 4.041 . 0 0 "[ . 1 . 2]" 1
1767 4 8 ILE H 4 8 ILE HB . . 3.510 3.159 2.455 3.756 0.246 17 0 "[ . 1 . 2]" 1
1768 4 8 ILE H 4 8 ILE QG . . 4.220 2.728 1.935 4.231 0.011 19 0 "[ . 1 . 2]" 1
1769 4 8 ILE H 4 8 ILE MG . . 4.080 3.162 2.083 4.124 0.044 12 0 "[ . 1 . 2]" 1
1770 4 8 ILE HA 4 8 ILE MD . . 4.380 3.154 1.904 4.216 . 0 0 "[ . 1 . 2]" 1
1771 4 8 ILE HA 4 9 TYR H . . 2.860 2.462 2.049 2.916 0.056 11 0 "[ . 1 . 2]" 1
1772 4 8 ILE HB 4 9 TYR H . . 5.500 3.267 1.894 4.274 . 0 0 "[ . 1 . 2]" 1
1773 4 8 ILE HB 4 9 TYR QD . . 5.500 4.682 3.208 5.649 0.149 5 0 "[ . 1 . 2]" 1
1774 4 8 ILE MD 4 8 ILE MG . . 2.400 1.976 1.849 2.060 . 0 0 "[ . 1 . 2]" 1
1775 4 8 ILE MD 4 9 TYR QD . . 5.500 4.408 3.903 4.978 . 0 0 "[ . 1 . 2]" 1
1776 4 8 ILE MD 4 9 TYR QE . . 5.500 5.409 4.776 5.659 0.159 14 0 "[ . 1 . 2]" 1
1777 4 8 ILE QG 4 9 TYR H . . 4.540 3.527 1.774 4.631 0.091 8 0 "[ . 1 . 2]" 1
1778 4 8 ILE MG 4 9 TYR H . . 3.770 2.935 1.580 3.814 0.044 20 0 "[ . 1 . 2]" 1
1779 4 9 TYR H 4 9 TYR HB2 . . 3.320 2.624 2.399 2.932 . 0 0 "[ . 1 . 2]" 1
1780 4 9 TYR H 4 9 TYR HB3 . . 3.470 3.545 3.487 3.637 0.167 14 0 "[ . 1 . 2]" 1
1781 4 9 TYR H 4 9 TYR QD . . 4.030 2.377 1.955 2.906 . 0 0 "[ . 1 . 2]" 1
1782 4 9 TYR HA 4 9 TYR QD . . 2.880 2.798 2.106 2.985 0.105 20 0 "[ . 1 . 2]" 1
1783 4 9 TYR QD 4 10 THR H . . 4.860 3.824 2.486 4.664 . 0 0 "[ . 1 . 2]" 1
1784 4 10 THR HB 4 11 SER H . . 5.010 4.074 2.683 4.471 . 0 0 "[ . 1 . 2]" 1
1785 4 12 ASP QB 4 13 ASN H . . 4.240 2.918 1.981 4.012 . 0 0 "[ . 1 . 2]" 1
1786 4 14 TYR H 4 14 TYR QD . . 4.570 3.879 2.360 4.577 0.007 7 0 "[ . 1 . 2]" 1
1787 4 14 TYR H 4 15 THR H . . 4.300 3.518 1.752 4.378 0.078 13 0 "[ . 1 . 2]" 1
1788 4 14 TYR HA 4 14 TYR QD . . 2.940 2.558 2.010 3.025 0.085 12 0 "[ . 1 . 2]" 1
1789 4 14 TYR HB2 4 15 THR H . . 3.930 3.775 2.651 4.122 0.192 5 0 "[ . 1 . 2]" 1
1790 4 14 TYR HB3 4 15 THR H . . 5.500 2.958 1.755 4.297 . 0 0 "[ . 1 . 2]" 1
1791 4 14 TYR HB3 4 16 GLU H . . 4.940 4.811 3.282 5.128 0.188 9 0 "[ . 1 . 2]" 1
1792 4 14 TYR QD 4 15 THR H . . 4.360 3.680 2.297 4.531 0.171 17 0 "[ . 1 . 2]" 1
1793 4 15 THR H 4 15 THR HB . . 3.890 3.032 2.460 3.721 . 0 0 "[ . 1 . 2]" 1
1794 4 15 THR H 4 15 THR MG . . 3.810 3.574 2.594 3.972 0.162 16 0 "[ . 1 . 2]" 1
1795 4 15 THR H 4 16 GLU H . . 4.170 3.727 1.628 4.191 0.021 15 0 "[ . 1 . 2]" 1
1796 4 15 THR MG 4 16 GLU H . . 4.220 3.543 2.549 4.230 0.010 6 0 "[ . 1 . 2]" 1
1797 4 15 THR MG 4 17 GLU H . . 4.840 4.325 2.326 5.031 0.191 20 0 "[ . 1 . 2]" 1
1798 4 16 GLU H 4 16 GLU HB2 . . 3.510 2.844 2.240 3.632 0.122 13 0 "[ . 1 . 2]" 1
1799 4 16 GLU H 4 16 GLU HB3 . . 3.310 3.123 2.303 3.542 0.232 5 0 "[ . 1 . 2]" 1
1800 4 16 GLU H 4 16 GLU QG . . 3.660 2.681 1.784 3.922 0.262 16 0 "[ . 1 . 2]" 1
1801 4 16 GLU HB2 4 16 GLU QG . . 2.550 2.264 2.139 2.425 . 0 0 "[ . 1 . 2]" 1
1802 4 16 GLU HB3 4 16 GLU QG . . 2.650 2.317 2.177 2.404 . 0 0 "[ . 1 . 2]" 1
1803 4 17 GLU HA 4 18 MET H . . 3.110 2.474 1.920 3.344 0.234 13 0 "[ . 1 . 2]" 1
1804 4 17 GLU HB2 4 17 GLU QG . . 2.650 2.296 2.155 2.382 . 0 0 "[ . 1 . 2]" 1
1805 4 17 GLU HB3 4 17 GLU QG . . 2.650 2.298 2.151 2.377 . 0 0 "[ . 1 . 2]" 1
1806 4 18 MET H 4 18 MET QB . . 3.290 2.692 2.257 3.058 . 0 0 "[ . 1 . 2]" 1
1807 4 18 MET H 4 18 MET QG . . 4.270 3.397 2.075 4.350 0.080 6 0 "[ . 1 . 2]" 1
1808 4 18 MET QG 4 19 GLY H . . 4.890 3.602 2.696 4.464 . 0 0 "[ . 1 . 2]" 1
1809 4 22 ASP H 4 22 ASP HB2 . . 4.150 3.570 2.556 4.038 . 0 0 "[ . 1 . 2]" 1
1810 4 22 ASP H 4 22 ASP HB3 . . 4.150 3.246 2.328 4.153 0.003 9 0 "[ . 1 . 2]" 1
1811 4 22 ASP HB2 4 23 TYR H . . 5.500 3.643 2.398 4.583 . 0 0 "[ . 1 . 2]" 1
1812 4 22 ASP HB3 4 23 TYR H . . 5.500 4.017 2.648 4.485 . 0 0 "[ . 1 . 2]" 1
1813 4 23 TYR H 4 23 TYR HB2 . . 3.410 2.552 2.176 3.473 0.063 18 0 "[ . 1 . 2]" 1
1814 4 23 TYR H 4 23 TYR HB3 . . 3.530 2.715 2.419 3.540 0.010 18 0 "[ . 1 . 2]" 1
1815 4 23 TYR H 4 23 TYR QD . . 3.990 3.955 1.751 4.226 0.236 2 0 "[ . 1 . 2]" 1
1816 4 23 TYR H 4 24 ASP H . . 3.630 2.328 1.887 3.380 . 0 0 "[ . 1 . 2]" 1
1817 4 23 TYR HA 4 23 TYR QD . . 3.220 2.949 2.181 3.477 0.257 18 0 "[ . 1 . 2]" 1
1818 4 23 TYR HB2 4 24 ASP H . . 4.400 3.530 2.440 3.997 . 0 0 "[ . 1 . 2]" 1
1819 4 23 TYR HB3 4 24 ASP H . . 4.210 2.513 1.821 4.385 0.175 18 0 "[ . 1 . 2]" 1
1820 4 23 TYR QD 4 24 ASP HB2 . . 5.500 3.091 2.116 4.599 . 0 0 "[ . 1 . 2]" 1
1821 4 23 TYR QD 4 24 ASP HB3 . . 5.500 3.498 2.645 4.415 . 0 0 "[ . 1 . 2]" 1
1822 4 23 TYR QE 4 24 ASP HB2 . . 5.500 4.704 3.574 5.606 0.106 3 0 "[ . 1 . 2]" 1
1823 4 23 TYR QE 4 24 ASP HB3 . . 5.500 5.184 3.856 5.638 0.138 10 0 "[ . 1 . 2]" 1
1824 4 25 SER H 4 25 SER QB . . 3.610 2.843 2.358 3.404 . 0 0 "[ . 1 . 2]" 1
1825 4 26 MET H 4 27 LYS QG . . 4.930 4.326 3.237 5.084 0.154 10 0 "[ . 1 . 2]" 1
1826 4 26 MET HA 4 27 LYS H . . 3.290 2.368 2.081 3.420 0.130 7 0 "[ . 1 . 2]" 1
1827 4 27 LYS H 4 27 LYS HB2 . . 3.850 2.958 2.497 3.878 0.028 16 0 "[ . 1 . 2]" 1
1828 4 27 LYS H 4 27 LYS QB . . 3.190 2.769 2.457 3.253 0.063 18 0 "[ . 1 . 2]" 1
1829 4 27 LYS H 4 27 LYS HB3 . . 3.850 3.686 3.218 3.946 0.096 7 0 "[ . 1 . 2]" 1
1830 4 27 LYS H 4 27 LYS QG . . 3.990 3.020 2.348 4.077 0.087 1 0 "[ . 1 . 2]" 1
1831 4 27 LYS HA 4 27 LYS QD . . 5.060 4.020 3.102 4.398 . 0 0 "[ . 1 . 2]" 1
1832 4 27 LYS HA 4 27 LYS QE . . 5.500 4.519 1.750 5.598 0.098 16 0 "[ . 1 . 2]" 1
1833 4 27 LYS HA 4 28 GLU H . . 2.750 2.557 2.137 2.820 0.070 16 0 "[ . 1 . 2]" 1
1834 4 27 LYS QB 4 27 LYS QD . . 2.510 2.162 2.027 2.355 . 0 0 "[ . 1 . 2]" 1
1835 4 27 LYS QB 4 27 LYS QE . . 4.430 2.957 1.897 3.650 . 0 0 "[ . 1 . 2]" 1
1836 4 27 LYS HB2 4 27 LYS QD . . 2.890 2.557 2.307 3.156 0.266 13 0 "[ . 1 . 2]" 1
1837 4 27 LYS HB2 4 28 GLU H . . 5.500 3.165 1.818 4.242 . 0 0 "[ . 1 . 2]" 1
1838 4 27 LYS HB3 4 27 LYS QD . . 2.890 2.390 2.052 2.897 0.007 17 0 "[ . 1 . 2]" 1
1839 4 27 LYS HB3 4 28 GLU H . . 5.500 2.496 1.692 3.754 . 0 0 "[ . 1 . 2]" 1
1840 4 27 LYS QG 4 28 GLU H . . 4.630 3.562 1.780 4.381 . 0 0 "[ . 1 . 2]" 1
1841 4 28 GLU H 4 29 PRO HD2 . . 4.530 4.496 4.339 4.605 0.075 19 0 "[ . 1 . 2]" 1
1842 4 28 GLU H 4 29 PRO QD . . 3.970 3.957 3.450 4.098 0.128 7 0 "[ . 1 . 2]" 1
1843 4 28 GLU H 4 29 PRO HD3 . . 4.530 4.420 3.603 4.699 0.169 7 0 "[ . 1 . 2]" 1
1844 4 29 PRO HA 4 30 ALA H . . 2.800 2.158 1.966 2.809 0.009 16 0 "[ . 1 . 2]" 1
1845 4 29 PRO QB 4 30 ALA H . . 3.770 3.049 2.282 3.864 0.094 16 0 "[ . 1 . 2]" 1
1846 4 29 PRO QB 4 31 PHE H . . 5.340 3.548 1.886 5.083 . 0 0 "[ . 1 . 2]" 1
1847 4 29 PRO QG 4 30 ALA H . . 4.170 4.244 3.821 4.358 0.188 18 0 "[ . 1 . 2]" 1
1848 4 30 ALA H 4 30 ALA MB . . 3.040 2.445 2.252 2.803 . 0 0 "[ . 1 . 2]" 1
1849 4 30 ALA HA 4 31 PHE H . . 2.920 2.559 2.076 3.134 0.214 1 0 "[ . 1 . 2]" 1
1850 4 30 ALA MB 4 31 PHE H . . 3.620 3.358 3.008 3.588 . 0 0 "[ . 1 . 2]" 1
1851 4 31 PHE HA 4 31 PHE QD . . 3.440 2.768 2.494 3.109 . 0 0 "[ . 1 . 2]" 1
1852 4 31 PHE HB2 4 32 ARG H . . 5.500 3.416 2.106 4.495 . 0 0 "[ . 1 . 2]" 1
1853 4 31 PHE HB3 4 32 ARG H . . 5.500 3.802 2.359 4.452 . 0 0 "[ . 1 . 2]" 1
1854 4 31 PHE QD 4 32 ARG H . . 4.860 4.331 3.687 4.864 0.004 7 0 "[ . 1 . 2]" 1
1855 4 32 ARG H 4 32 ARG QB . . 3.560 2.624 2.279 3.319 . 0 0 "[ . 1 . 2]" 1
1856 4 32 ARG H 4 32 ARG QG . . 4.050 3.198 1.736 4.163 0.113 14 0 "[ . 1 . 2]" 1
1857 4 32 ARG HA 4 33 GLU H . . 3.180 2.451 2.011 3.279 0.099 4 0 "[ . 1 . 2]" 1
1858 4 32 ARG QB 4 33 GLU H . . 4.480 2.939 1.961 3.919 . 0 0 "[ . 1 . 2]" 1
1859 4 32 ARG QD 4 33 GLU H . . 5.140 4.466 2.187 5.274 0.134 3 0 "[ . 1 . 2]" 1
1860 4 32 ARG QG 4 33 GLU H . . 4.730 3.666 2.196 4.610 . 0 0 "[ . 1 . 2]" 1
1861 4 33 GLU H 4 33 GLU HB2 . . 4.180 3.149 2.415 3.848 . 0 0 "[ . 1 . 2]" 1
1862 4 33 GLU H 4 33 GLU QB . . 3.540 2.716 2.262 3.353 . 0 0 "[ . 1 . 2]" 1
1863 4 33 GLU H 4 33 GLU HB3 . . 4.180 3.313 2.391 4.140 . 0 0 "[ . 1 . 2]" 1
1864 4 33 GLU H 4 33 GLU QG . . 4.460 2.776 1.923 4.208 . 0 0 "[ . 1 . 2]" 1
1865 4 33 GLU HA 4 34 GLU H . . 3.080 2.198 1.897 2.693 . 0 0 "[ . 1 . 2]" 1
1866 4 33 GLU QB 4 33 GLU QG . . 2.300 2.070 1.997 2.116 . 0 0 "[ . 1 . 2]" 1
1867 4 33 GLU QB 4 34 GLU H . . 3.310 2.816 1.938 3.396 0.086 3 0 "[ . 1 . 2]" 1
1868 4 33 GLU HB2 4 34 GLU H . . 3.810 3.426 2.389 4.055 0.245 15 0 "[ . 1 . 2]" 1
1869 4 33 GLU HB3 4 34 GLU H . . 3.810 3.320 1.951 3.877 0.067 20 0 "[ . 1 . 2]" 1
1870 4 33 GLU QG 4 34 GLU H . . 4.290 3.677 2.046 4.309 0.019 5 0 "[ . 1 . 2]" 1
1871 4 34 GLU QB 4 34 GLU QG . . 2.310 2.057 1.997 2.088 . 0 0 "[ . 1 . 2]" 1
1872 4 38 PHE H 4 38 PHE QD . . 5.030 3.700 2.101 4.531 . 0 0 "[ . 1 . 2]" 1
1873 4 38 PHE HA 4 38 PHE QD . . 3.640 2.990 2.587 3.719 0.079 5 0 "[ . 1 . 2]" 1
1874 4 40 LYS HA 4 40 LYS QE . . 5.500 4.900 3.916 5.464 . 0 0 "[ . 1 . 2]" 1
1875 4 40 LYS HB2 4 40 LYS QD . . 2.570 2.370 2.249 2.688 0.118 9 0 "[ . 1 . 2]" 1
1876 4 40 LYS HB3 4 40 LYS QD . . 2.570 2.430 2.265 2.709 0.139 7 0 "[ . 1 . 2]" 1
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