NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580429 |
4cio   |
18846 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_4cio
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 1344
_Distance_constraint_stats_list.Viol_count 1146
_Distance_constraint_stats_list.Viol_total 1826.718
_Distance_constraint_stats_list.Viol_max 0.948
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.1063
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 5 SER 0.126 0.106 5 0 "[ . 1 .]"
1 6 ARG 1.179 0.498 15 0 "[ . 1 .]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 1.959 0.253 1 0 "[ . 1 .]"
1 9 MET 3.852 0.569 14 2 "[ . 1- +.]"
1 10 PHE 4.392 0.562 2 2 "[ + .- 1 .]"
1 11 THR 2.052 0.487 13 0 "[ . 1 .]"
1 12 LYS 4.018 0.483 4 0 "[ . 1 .]"
1 13 ILE 3.478 0.238 11 0 "[ . 1 .]"
1 14 PHE 2.601 0.739 4 1 "[ +. 1 .]"
1 15 VAL 7.464 0.807 8 1 "[ . + 1 .]"
1 16 GLY 0.451 0.163 9 0 "[ . 1 .]"
1 17 GLY 0.641 0.111 7 0 "[ . 1 .]"
1 18 LEU 17.203 0.918 4 3 "[ +. * 1 - .]"
1 19 PRO 2.976 0.507 9 1 "[ . +1 .]"
1 20 TYR 3.896 0.718 1 1 "[+ . 1 .]"
1 21 HIS 0.103 0.096 6 0 "[ . 1 .]"
1 22 THR 8.306 0.446 9 0 "[ . 1 .]"
1 23 SER 0.000 0.000 . 0 "[ . 1 .]"
1 24 ASP 1.655 0.202 15 0 "[ . 1 .]"
1 25 LYS 0.799 0.269 15 0 "[ . 1 .]"
1 26 THR 2.864 0.223 15 0 "[ . 1 .]"
1 27 LEU 8.257 0.459 9 0 "[ . 1 .]"
1 28 HIS 1.298 0.154 12 0 "[ . 1 .]"
1 29 GLU 1.857 0.560 9 1 "[ . +1 .]"
1 30 TYR 1.089 0.221 10 0 "[ . 1 .]"
1 31 PHE 2.183 0.524 9 1 "[ . +1 .]"
1 32 GLU 2.120 0.560 9 1 "[ . +1 .]"
1 33 GLN 1.527 0.394 13 0 "[ . 1 .]"
1 34 PHE 0.201 0.143 13 0 "[ . 1 .]"
1 35 GLY 0.227 0.118 14 0 "[ . 1 .]"
1 36 ASP 0.289 0.139 2 0 "[ . 1 .]"
1 37 ILE 5.824 0.502 9 1 "[ . +1 .]"
1 38 GLU 2.804 0.487 13 0 "[ . 1 .]"
1 39 GLU 2.264 0.596 14 2 "[ . - 1 +.]"
1 40 ALA 1.113 0.251 13 0 "[ . 1 .]"
1 41 VAL 1.415 0.596 14 2 "[ . - 1 +.]"
1 42 VAL 5.983 0.863 9 2 "[ - +1 .]"
1 43 ILE 3.164 0.291 7 0 "[ . 1 .]"
1 44 THR 3.027 0.948 9 2 "[ -. +1 .]"
1 45 ASP 4.133 0.938 7 4 "[ . + 1 ** -]"
1 46 ARG 0.674 0.123 2 0 "[ . 1 .]"
1 47 ASN 0.347 0.123 2 0 "[ . 1 .]"
1 48 THR 2.095 0.198 11 0 "[ . 1 .]"
1 49 GLN 2.562 0.291 7 0 "[ . 1 .]"
1 50 LYS 4.426 0.938 7 4 "[ . + 1 ** -]"
1 51 SER 6.256 0.948 9 3 "[ *- +1 .]"
1 52 ARG 1.247 0.433 7 0 "[ . 1 .]"
1 53 GLY 2.834 0.718 1 1 "[+ . 1 .]"
1 54 TYR 4.150 0.433 7 0 "[ . 1 .]"
1 55 GLY 0.030 0.018 9 0 "[ . 1 .]"
1 56 PHE 5.936 0.739 4 2 "[ +. 1 *.]"
1 57 VAL 5.958 0.246 15 0 "[ . 1 .]"
1 58 THR 1.327 0.261 2 0 "[ . 1 .]"
1 59 MET 3.204 0.210 15 0 "[ . 1 .]"
1 60 LYS 2.922 0.269 15 0 "[ . 1 .]"
1 61 ASP 0.562 0.165 6 0 "[ . 1 .]"
1 62 ARG 4.808 0.569 14 4 "[ * .- 1* +.]"
1 63 ALA 5.981 0.766 14 5 "[ * . **- +.]"
1 64 SER 0.391 0.118 14 0 "[ . 1 .]"
1 65 ALA 2.005 0.185 8 0 "[ . 1 .]"
1 66 GLU 2.421 0.233 13 0 "[ . 1 .]"
1 67 ARG 7.247 0.766 14 5 "[ * . **- +.]"
1 68 ALA 3.069 0.230 3 0 "[ . 1 .]"
1 69 CYS 0.112 0.099 9 0 "[ . 1 .]"
1 70 LYS 2.183 0.415 12 0 "[ . 1 .]"
1 71 ASP 0.777 0.608 14 1 "[ . 1 +.]"
1 72 PRO 0.730 0.239 15 0 "[ . 1 .]"
1 73 ASN 4.926 0.711 9 2 "[ . +1 *.]"
1 74 PRO 5.681 0.938 7 5 "[ . + 1 **-*]"
1 75 ILE 2.044 0.202 15 0 "[ . 1 .]"
1 76 ILE 3.179 0.918 4 1 "[ +. 1 .]"
1 77 ASP 1.116 0.507 9 1 "[ . +1 .]"
1 78 GLY 0.260 0.238 13 0 "[ . 1 .]"
1 79 ARG 6.935 0.938 7 4 "[ . + 1 ** -]"
1 80 LYS 6.793 0.711 9 1 "[ . +1 .]"
1 81 ALA 0.649 0.269 15 0 "[ . 1 .]"
1 82 ASN 0.347 0.196 7 0 "[ . 1 .]"
1 83 VAL 3.392 0.444 7 0 "[ . 1 .]"
1 84 ASN 6.216 0.938 7 4 "[ . + 1 ** -]"
1 85 LEU 4.209 0.261 7 0 "[ . 1 .]"
1 86 ALA 4.973 0.587 14 2 "[ -. 1 +.]"
1 87 TYR 5.707 0.352 4 0 "[ . 1 .]"
1 88 LEU 2.820 0.355 10 0 "[ . 1 .]"
1 89 GLY 1.269 0.658 11 1 "[ . 1+ .]"
1 90 ALA 1.377 0.261 2 0 "[ . 1 .]"
1 91 LYS 2.392 0.658 11 1 "[ . 1+ .]"
1 92 PRO 2.239 0.308 10 0 "[ . 1 .]"
1 93 ARG 3.856 0.417 7 0 "[ . 1 .]"
1 94 THR 2.766 0.658 11 1 "[ . 1+ .]"
1 95 ASN 0.777 0.608 14 1 "[ . 1 +.]"
1 96 VAL 1.064 0.608 14 1 "[ . 1 +.]"
2 1 G 0.030 0.030 12 0 "[ . 1 .]"
2 2 G 0.261 0.093 6 0 "[ . 1 .]"
2 3 U 1.088 0.176 10 0 "[ . 1 .]"
2 4 G 0.216 0.073 2 0 "[ . 1 .]"
2 5 U 1.220 0.226 4 0 "[ . 1 .]"
2 6 G 1.174 0.409 2 0 "[ . 1 .]"
2 7 C 1.192 0.409 2 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 31 PHE HB2 1 32 GLU HA 4.100 . 6.000 4.817 4.672 4.943 . 0 0 "[ . 1 .]" 1
2 1 32 GLU HA 1 32 GLU HG3 3.500 . 5.000 3.677 2.828 3.820 . 0 0 "[ . 1 .]" 1
3 1 32 GLU HA 1 32 GLU HG2 3.500 . 5.000 3.723 2.738 3.911 . 0 0 "[ . 1 .]" 1
4 1 38 GLU HB2 1 58 THR HB 3.400 . 4.900 4.610 3.904 5.026 0.126 8 0 "[ . 1 .]" 1
5 1 38 GLU HB3 1 58 THR HB 2.700 . 3.600 3.027 2.513 3.468 . 0 0 "[ . 1 .]" 1
6 1 32 GLU HA 1 32 GLU HB3 2.500 . 3.300 2.500 2.381 3.029 . 0 0 "[ . 1 .]" 1
7 1 70 LYS HA 1 70 LYS QD 2.700 . 3.600 2.360 1.788 3.637 0.037 10 0 "[ . 1 .]" 1
8 1 25 LYS HA 1 25 LYS QB 2.500 . 3.100 2.177 2.149 2.188 . 0 0 "[ . 1 .]" 1
9 1 91 LYS HB3 1 92 PRO HD3 4.000 . 6.000 4.457 2.962 4.912 . 0 0 "[ . 1 .]" 1
10 1 19 PRO HB3 1 19 PRO QD 4.200 . 6.000 3.465 2.906 3.548 . 0 0 "[ . 1 .]" 1
11 1 75 ILE HA 1 75 ILE HG13 3.600 . 5.200 3.758 3.537 3.861 . 0 0 "[ . 1 .]" 1
12 1 75 ILE HA 1 75 ILE HG12 3.000 . 4.100 3.084 2.436 3.262 . 0 0 "[ . 1 .]" 1
13 1 43 ILE HG12 1 55 GLY HA2 2.800 . 3.800 2.366 1.782 3.369 0.018 9 0 "[ . 1 .]" 1
14 1 52 ARG HA 1 52 ARG HG2 2.800 . 3.800 2.567 2.377 2.756 . 0 0 "[ . 1 .]" 1
15 1 52 ARG HA 1 52 ARG HG3 2.900 . 3.900 3.053 2.810 3.503 . 0 0 "[ . 1 .]" 1
16 1 47 ASN HB2 1 48 THR MG 2.700 . 3.600 3.029 2.464 3.490 . 0 0 "[ . 1 .]" 1
17 1 58 THR MG 1 59 MET HB3 3.300 . 6.000 4.724 4.414 5.067 . 0 0 "[ . 1 .]" 1
18 1 45 ASP HB3 1 48 THR MG 4.000 . 6.000 4.547 4.073 5.078 . 0 0 "[ . 1 .]" 1
19 1 44 THR MG 1 49 GLN QG 4.300 . 6.000 4.109 3.326 4.833 . 0 0 "[ . 1 .]" 1
20 1 12 LYS HE2 1 12 LYS HG2 3.100 . 4.300 2.717 2.225 3.360 . 0 0 "[ . 1 .]" 1
21 1 46 ARG QG 1 49 GLN QG 3.700 . 5.400 5.203 4.872 5.477 0.077 9 0 "[ . 1 .]" 1
22 1 36 ASP HB2 1 60 LYS QD 2.800 . 3.800 3.283 2.230 3.867 0.067 15 0 "[ . 1 .]" 1
23 1 52 ARG QD 1 52 ARG HG2 3.100 . 4.300 2.403 2.168 2.513 . 0 0 "[ . 1 .]" 1
24 1 44 THR HB 1 52 ARG HG3 4.100 . 6.000 4.493 3.824 4.782 . 0 0 "[ . 1 .]" 1
25 1 29 GLU HB3 1 32 GLU HG2 3.600 . 6.000 5.110 4.534 6.560 0.560 9 1 "[ . +1 .]" 1
26 1 32 GLU HB3 1 32 GLU HG3 2.600 . 3.400 2.945 2.557 3.012 . 0 0 "[ . 1 .]" 1
27 1 32 GLU HB2 1 32 GLU HG2 2.600 . 3.500 2.942 2.525 3.009 . 0 0 "[ . 1 .]" 1
28 1 9 MET QG 1 87 TYR HB3 3.700 . 5.400 3.372 2.645 4.585 . 0 0 "[ . 1 .]" 1
29 1 38 GLU QG 1 60 LYS QE 3.700 . 5.500 3.833 2.458 4.782 . 0 0 "[ . 1 .]" 1
30 1 73 ASN HB3 1 80 LYS QG 3.200 . 4.500 2.891 2.031 3.927 . 0 0 "[ . 1 .]" 1
31 1 37 ILE HB 1 40 ALA MB 3.100 . 4.300 4.172 3.804 4.551 0.251 13 0 "[ . 1 .]" 1
32 1 37 ILE HB 1 60 LYS HB2 2.600 . 6.000 5.966 5.542 6.164 0.164 10 0 "[ . 1 .]" 1
33 1 67 ARG HB3 1 70 LYS QG 3.600 . 5.200 4.421 3.458 5.615 0.415 12 0 "[ . 1 .]" 1
34 1 38 GLU HB3 1 60 LYS QG 4.100 . 6.000 4.817 3.464 5.696 . 0 0 "[ . 1 .]" 1
35 1 19 PRO HB3 1 19 PRO HG2 3.000 . 4.100 2.706 2.635 2.981 . 0 0 "[ . 1 .]" 1
36 1 75 ILE MD 1 75 ILE HG13 2.400 . 3.100 2.119 2.113 2.125 . 0 0 "[ . 1 .]" 1
37 1 75 ILE HG13 1 75 ILE MG 2.300 . 3.000 2.405 2.327 3.113 0.113 9 0 "[ . 1 .]" 1
38 1 37 ILE QG 1 37 ILE MG . . 3.100 2.369 2.271 2.470 . 0 0 "[ . 1 .]" 1
39 1 43 ILE HB 1 43 ILE HG13 2.400 . 3.100 2.122 2.089 2.164 . 0 0 "[ . 1 .]" 1
40 1 75 ILE MD 1 75 ILE HG12 2.300 . 3.000 2.118 2.105 2.121 . 0 0 "[ . 1 .]" 1
41 1 75 ILE HB 1 75 ILE HG12 2.600 . 3.400 2.494 2.435 2.956 . 0 0 "[ . 1 .]" 1
42 1 37 ILE QG 1 57 VAL MG1 3.000 . 4.100 3.065 2.625 3.609 . 0 0 "[ . 1 .]" 1
43 1 75 ILE HB 1 75 ILE HG13 2.400 . 3.100 2.439 2.272 2.482 . 0 0 "[ . 1 .]" 1
44 1 25 LYS QB 1 25 LYS HG3 2.600 . 3.400 2.354 2.256 2.444 . 0 0 "[ . 1 .]" 1
45 1 18 LEU QD 1 42 VAL MG2 2.700 . 6.000 2.926 2.230 3.650 . 0 0 "[ . 1 .]" 1
46 1 13 ILE HG13 1 85 LEU QD 2.800 . 3.700 2.918 1.963 3.749 0.049 15 0 "[ . 1 .]" 1
47 1 22 THR MG 1 26 THR MG 2.000 . 2.500 1.949 1.622 2.485 . 0 0 "[ . 1 .]" 1
48 1 13 ILE MD 1 58 THR MG 3.200 . 6.000 5.100 4.372 5.738 . 0 0 "[ . 1 .]" 1
49 1 48 THR MG 1 50 LYS QG 2.700 . 3.600 3.571 3.308 3.798 0.198 11 0 "[ . 1 .]" 1
50 1 41 VAL QG 1 43 ILE MD 2.500 . 3.300 2.597 1.864 3.328 0.028 6 0 "[ . 1 .]" 1
51 1 27 LEU QD 1 76 ILE MG 3.000 . 4.100 2.870 1.836 3.554 0.064 15 0 "[ . 1 .]" 1
52 1 43 ILE HG13 1 56 PHE QD 3.800 . 5.600 2.859 2.009 3.349 . 0 0 "[ . 1 .]" 1
53 1 43 ILE HG12 1 56 PHE QD 3.300 . 4.700 2.552 1.936 2.952 . 0 0 "[ . 1 .]" 1
54 1 72 PRO HB2 1 72 PRO HD2 4.100 . 6.000 3.548 2.994 4.026 . 0 0 "[ . 1 .]" 1
55 1 63 ALA HA 1 66 GLU HB2 2.500 . 3.300 2.636 2.208 3.116 . 0 0 "[ . 1 .]" 1
56 1 36 ASP HA 1 60 LYS HB3 4.000 . 6.000 4.319 3.934 4.834 . 0 0 "[ . 1 .]" 1
57 1 29 GLU HA 1 32 GLU HG2 3.700 . 5.400 2.969 2.443 4.189 . 0 0 "[ . 1 .]" 1
58 1 67 ARG HA 1 70 LYS QB 2.900 . 4.000 2.676 2.062 3.600 . 0 0 "[ . 1 .]" 1
59 1 5 SER QB 1 6 ARG HG3 3.800 . 5.600 4.541 2.299 5.706 0.106 5 0 "[ . 1 .]" 1
60 1 32 GLU HA 1 37 ILE QG 3.900 . 5.800 2.266 1.978 2.865 0.022 10 0 "[ . 1 .]" 1
61 1 62 ARG HA 1 65 ALA MB 2.300 . 2.900 2.016 1.771 2.438 . 0 0 "[ . 1 .]" 1
62 1 80 LYS HA 1 80 LYS HB3 2.900 . 3.900 3.024 3.018 3.034 . 0 0 "[ . 1 .]" 1
63 1 33 GLN HA 1 33 GLN HG2 3.100 . 4.300 2.602 2.320 2.936 . 0 0 "[ . 1 .]" 1
64 1 11 THR MG 1 61 ASP HA 2.800 . 3.800 2.827 2.393 3.126 . 0 0 "[ . 1 .]" 1
65 1 30 TYR QE 1 34 PHE HZ 3.500 . 5.100 3.334 2.040 4.310 . 0 0 "[ . 1 .]" 1
66 1 13 ILE HB 1 13 ILE HG13 2.800 . 3.800 2.675 2.424 3.009 . 0 0 "[ . 1 .]" 1
67 1 18 LEU QD 1 76 ILE MD 2.900 . 4.000 2.804 2.057 3.788 . 0 0 "[ . 1 .]" 1
68 1 84 ASN HB2 1 88 LEU MD1 3.200 . 4.500 3.991 2.445 4.855 0.355 10 0 "[ . 1 .]" 1
69 1 33 GLN QB 1 37 ILE QG 3.700 . 6.000 5.962 5.747 6.394 0.394 13 0 "[ . 1 .]" 1
70 1 7 ASP HA 1 8 THR MG 3.800 . 5.600 4.095 3.462 5.107 . 0 0 "[ . 1 .]" 1
71 1 10 PHE HB2 1 62 ARG QG 3.500 . 5.100 3.525 2.404 4.493 . 0 0 "[ . 1 .]" 1
72 1 45 ASP HB2 1 48 THR MG 4.100 . 6.000 5.455 4.888 6.031 0.031 11 0 "[ . 1 .]" 1
73 1 2 ALA HA 1 2 ALA MB 3.600 . 5.200 2.128 2.115 2.133 . 0 0 "[ . 1 .]" 1
74 1 6 ARG HA 1 6 ARG HB3 2.500 . 3.300 2.521 2.378 3.007 . 0 0 "[ . 1 .]" 1
75 1 6 ARG HA 1 6 ARG HB2 2.700 . 3.600 2.918 2.464 3.033 . 0 0 "[ . 1 .]" 1
76 1 6 ARG HA 1 6 ARG HG3 3.300 . 4.700 3.107 2.495 3.815 . 0 0 "[ . 1 .]" 1
77 1 6 ARG HA 1 6 ARG QD 3.100 . 4.300 4.018 1.953 4.471 0.171 12 0 "[ . 1 .]" 1
78 1 6 ARG QD 1 6 ARG HG2 2.400 . 3.100 2.261 2.166 2.382 . 0 0 "[ . 1 .]" 1
79 1 6 ARG HA 1 6 ARG HG2 2.700 . 3.600 2.808 2.378 4.098 0.498 15 0 "[ . 1 .]" 1
80 1 7 ASP HA 1 7 ASP HB3 2.500 . 3.300 2.798 2.413 3.034 . 0 0 "[ . 1 .]" 1
81 1 7 ASP HA 1 7 ASP HB2 2.600 . 3.400 2.689 2.352 3.028 . 0 0 "[ . 1 .]" 1
82 1 8 THR HA 1 8 THR MG 2.300 . 3.000 2.273 2.229 2.394 . 0 0 "[ . 1 .]" 1
83 1 8 THR HA 1 12 LYS HB3 4.100 . 6.000 5.296 4.556 6.251 0.251 15 0 "[ . 1 .]" 1
84 1 8 THR HA 1 58 THR MG 3.600 . 5.200 3.618 2.675 5.084 . 0 0 "[ . 1 .]" 1
85 1 8 THR HB 1 12 LYS HB3 3.300 . 4.700 4.405 2.499 4.953 0.253 1 0 "[ . 1 .]" 1
86 1 8 THR HB 1 12 LYS HB2 2.700 . 3.600 3.010 2.045 3.643 0.043 15 0 "[ . 1 .]" 1
87 1 8 THR HB 1 58 THR MG 3.000 . 4.100 3.429 2.827 4.144 0.044 5 0 "[ . 1 .]" 1
88 1 8 THR HA 1 8 THR MG 2.200 . 2.800 1.956 1.942 1.991 . 0 0 "[ . 1 .]" 1
89 1 8 THR HB 1 8 THR MG 2.200 . 2.800 2.134 2.128 2.140 . 0 0 "[ . 1 .]" 1
90 1 9 MET HA 1 9 MET HB3 2.700 . 3.600 2.979 2.422 3.024 . 0 0 "[ . 1 .]" 1
91 1 9 MET HA 1 9 MET HB2 2.300 . 3.000 2.461 2.411 2.521 . 0 0 "[ . 1 .]" 1
92 1 9 MET HB3 1 9 MET ME 2.500 . 3.300 2.158 1.865 3.448 0.148 4 0 "[ . 1 .]" 1
93 1 9 MET HB2 1 9 MET ME 4.100 . 6.000 3.053 2.069 4.092 . 0 0 "[ . 1 .]" 1
94 1 9 MET ME 1 10 PHE QD 3.500 . 5.000 3.034 2.693 3.312 . 0 0 "[ . 1 .]" 1
95 1 9 MET ME 1 10 PHE QE 3.600 . 5.200 2.603 2.200 2.983 . 0 0 "[ . 1 .]" 1
96 1 9 MET ME 1 62 ARG HB2 3.000 . 6.000 6.128 5.899 6.569 0.569 14 2 "[ . 1- +.]" 1
97 1 9 MET ME 1 87 TYR HB2 3.900 . 5.800 5.456 4.357 5.943 0.143 15 0 "[ . 1 .]" 1
98 1 9 MET ME 1 87 TYR QD 3.200 . 4.500 4.238 2.694 4.582 0.082 1 0 "[ . 1 .]" 1
99 1 9 MET ME 1 87 TYR QE 3.100 . 4.300 4.030 2.371 4.421 0.121 14 0 "[ . 1 .]" 1
100 1 9 MET HA 1 9 MET QG 3.000 . 3.900 2.507 2.343 3.350 . 0 0 "[ . 1 .]" 1
101 1 9 MET HB3 1 9 MET QG . . 3.100 2.372 2.279 2.474 . 0 0 "[ . 1 .]" 1
102 1 9 MET HB2 1 9 MET QG 2.000 . 2.500 2.301 2.138 2.404 . 0 0 "[ . 1 .]" 1
103 1 9 MET ME 1 9 MET QG 4.200 . 6.000 2.386 2.145 2.458 . 0 0 "[ . 1 .]" 1
104 1 9 MET QG 1 87 TYR QD 3.700 . 4.700 2.958 1.999 4.387 0.001 5 0 "[ . 1 .]" 1
105 1 9 MET QG 1 87 TYR QE 4.200 . 5.000 3.915 2.942 4.842 . 0 0 "[ . 1 .]" 1
106 1 9 MET QG 1 10 PHE QD 3.600 . 5.200 3.814 2.394 4.841 . 0 0 "[ . 1 .]" 1
107 1 10 PHE HA 1 11 THR MG 4.600 . 6.000 4.647 4.066 4.971 . 0 0 "[ . 1 .]" 1
108 1 9 MET QG 1 10 PHE HA 3.500 . 6.000 3.814 3.229 4.680 . 0 0 "[ . 1 .]" 1
109 1 10 PHE HA 1 10 PHE HB3 2.600 . 3.500 2.577 2.524 2.624 . 0 0 "[ . 1 .]" 1
110 1 10 PHE HA 1 10 PHE HB2 2.800 . 3.800 3.013 3.002 3.025 . 0 0 "[ . 1 .]" 1
111 1 10 PHE HA 1 10 PHE QD 2.700 . 3.600 2.196 1.899 2.604 . 0 0 "[ . 1 .]" 1
112 1 10 PHE HA 1 10 PHE QE 4.500 . 6.000 4.315 4.202 4.484 . 0 0 "[ . 1 .]" 1
113 1 10 PHE HA 1 10 PHE HZ 4.900 . 6.000 5.894 5.849 5.946 . 0 0 "[ . 1 .]" 1
114 1 10 PHE HA 1 12 LYS HB3 3.900 . 5.800 5.163 4.818 5.655 . 0 0 "[ . 1 .]" 1
115 1 10 PHE HA 1 12 LYS HB2 4.500 . 6.000 5.818 5.442 6.086 0.086 14 0 "[ . 1 .]" 1
116 1 10 PHE HA 1 85 LEU QD 2.600 . 3.500 2.444 1.745 3.722 0.222 15 0 "[ . 1 .]" 1
117 1 10 PHE HA 1 87 TYR HB3 3.600 . 5.200 4.869 3.696 5.552 0.352 4 0 "[ . 1 .]" 1
118 1 10 PHE HA 1 87 TYR QD 3.800 . 5.600 4.087 3.408 5.333 . 0 0 "[ . 1 .]" 1
119 1 10 PHE HA 1 87 TYR QE 4.100 . 6.000 4.096 3.194 5.332 . 0 0 "[ . 1 .]" 1
120 1 10 PHE HB3 1 10 PHE QD 3.200 . 4.500 2.664 2.520 2.757 . 0 0 "[ . 1 .]" 1
121 1 10 PHE HB3 1 10 PHE QE 4.400 . 6.000 4.477 4.441 4.494 . 0 0 "[ . 1 .]" 1
122 1 10 PHE HB3 1 62 ARG HD2 4.400 . 6.000 5.039 3.968 6.168 0.168 3 0 "[ . 1 .]" 1
123 1 10 PHE HB2 1 10 PHE QD 2.900 . 4.000 2.291 2.246 2.556 . 0 0 "[ . 1 .]" 1
124 1 10 PHE HB2 1 10 PHE QE 4.300 . 6.000 4.372 4.348 4.447 . 0 0 "[ . 1 .]" 1
125 1 10 PHE HB2 1 62 ARG HB3 3.300 . 4.700 3.410 2.473 4.354 . 0 0 "[ . 1 .]" 1
126 1 10 PHE HB2 1 62 ARG HD2 4.200 . 6.000 5.214 3.989 6.187 0.187 13 0 "[ . 1 .]" 1
127 1 10 PHE HB2 1 85 LEU QD 4.600 . 6.000 4.589 4.005 5.762 . 0 0 "[ . 1 .]" 1
128 1 11 THR HA 1 11 THR HB 2.100 . 2.700 2.460 2.359 2.532 . 0 0 "[ . 1 .]" 1
129 1 11 THR HA 1 59 MET HB3 4.400 . 6.000 5.080 4.407 5.589 . 0 0 "[ . 1 .]" 1
130 1 11 THR HA 1 59 MET HB2 3.300 . 4.700 3.350 2.678 3.829 . 0 0 "[ . 1 .]" 1
131 1 11 THR HA 1 59 MET HG3 3.600 . 5.200 4.408 3.874 4.931 . 0 0 "[ . 1 .]" 1
132 1 11 THR HA 1 62 ARG HA 3.100 . 4.300 3.039 2.415 3.498 . 0 0 "[ . 1 .]" 1
133 1 11 THR HA 1 62 ARG HB2 4.400 . 6.000 4.492 3.834 4.906 . 0 0 "[ . 1 .]" 1
134 1 11 THR HA 1 65 ALA MB 2.000 . 2.500 1.945 1.761 2.219 . 0 0 "[ . 1 .]" 1
135 1 11 THR HA 1 85 LEU QD 3.800 . 5.600 3.858 2.935 4.864 . 0 0 "[ . 1 .]" 1
136 1 11 THR HB 1 13 ILE MD 4.200 . 6.000 5.102 3.876 6.016 0.016 14 0 "[ . 1 .]" 1
137 1 11 THR HB 1 38 GLU HB3 4.000 . 6.000 5.467 5.073 6.487 0.487 13 0 "[ . 1 .]" 1
138 1 11 THR HB 1 58 THR MG 3.000 . 4.100 3.089 2.683 4.246 0.146 15 0 "[ . 1 .]" 1
139 1 11 THR HB 1 59 MET HB3 4.000 . 6.000 4.484 3.984 5.019 . 0 0 "[ . 1 .]" 1
140 1 11 THR HB 1 59 MET ME 5.100 . 6.000 5.860 5.524 6.117 0.117 8 0 "[ . 1 .]" 1
141 1 11 THR HB 1 59 MET HG3 3.900 . 5.800 4.733 4.141 5.188 . 0 0 "[ . 1 .]" 1
142 1 11 THR HB 1 65 ALA MB 3.400 . 4.900 3.475 3.073 3.876 . 0 0 "[ . 1 .]" 1
143 1 11 THR HA 1 11 THR MG 2.200 . 2.800 2.361 2.291 2.537 . 0 0 "[ . 1 .]" 1
144 1 11 THR MG 1 66 GLU HB2 4.200 . 6.000 5.813 5.263 6.158 0.158 15 0 "[ . 1 .]" 1
145 1 10 PHE HB2 1 11 THR MG 3.400 . 4.800 3.227 2.667 3.595 . 0 0 "[ . 1 .]" 1
146 1 11 THR HB 1 11 THR MG 2.000 . 2.500 2.133 2.126 2.140 . 0 0 "[ . 1 .]" 1
147 1 11 THR MG 1 59 MET HB3 3.800 . 5.600 4.522 3.948 5.324 . 0 0 "[ . 1 .]" 1
148 1 11 THR MG 1 59 MET HG3 3.800 . 5.600 5.035 4.348 5.810 0.210 15 0 "[ . 1 .]" 1
149 1 11 THR MG 1 61 ASP HB3 3.700 . 5.400 4.699 4.419 5.052 . 0 0 "[ . 1 .]" 1
150 1 11 THR MG 1 62 ARG HA 2.300 . 2.900 2.221 1.980 2.628 . 0 0 "[ . 1 .]" 1
151 1 11 THR MG 1 62 ARG HB3 3.000 . 4.100 3.003 2.135 4.095 . 0 0 "[ . 1 .]" 1
152 1 11 THR MG 1 62 ARG QG 3.400 . 4.800 3.997 3.440 4.391 . 0 0 "[ . 1 .]" 1
153 1 11 THR MG 1 65 ALA MB 2.800 . 3.800 2.769 2.033 3.519 . 0 0 "[ . 1 .]" 1
154 1 12 LYS HA 1 12 LYS HG2 3.400 . 4.900 3.294 2.627 3.841 . 0 0 "[ . 1 .]" 1
155 1 12 LYS HA 1 12 LYS HB2 3.000 . 4.100 2.514 2.394 2.566 . 0 0 "[ . 1 .]" 1
156 1 12 LYS HA 1 58 THR HA 2.300 . 3.000 2.462 1.916 2.688 . 0 0 "[ . 1 .]" 1
157 1 12 LYS HA 1 58 THR MG 3.200 . 4.400 2.957 2.428 3.695 . 0 0 "[ . 1 .]" 1
158 1 12 LYS HB2 1 12 LYS HD3 2.900 . 3.900 2.709 2.113 3.684 . 0 0 "[ . 1 .]" 1
159 1 12 LYS HB2 1 12 LYS HD2 3.000 . 4.100 3.122 2.208 3.808 . 0 0 "[ . 1 .]" 1
160 1 12 LYS HB3 1 12 LYS HD3 3.200 . 4.400 3.133 2.535 3.729 . 0 0 "[ . 1 .]" 1
161 1 12 LYS HD2 1 12 LYS HE3 2.700 . 3.600 2.395 2.240 2.545 . 0 0 "[ . 1 .]" 1
162 1 12 LYS HE3 1 12 LYS HG3 3.800 . 5.600 3.508 2.334 4.228 . 0 0 "[ . 1 .]" 1
163 1 12 LYS HD3 1 12 LYS HE2 3.000 . 4.100 2.764 2.363 3.013 . 0 0 "[ . 1 .]" 1
164 1 12 LYS HD2 1 12 LYS HE2 2.900 . 3.900 2.735 2.380 3.018 . 0 0 "[ . 1 .]" 1
165 1 12 LYS HE2 1 12 LYS HG3 3.600 . 5.200 3.125 2.422 3.678 . 0 0 "[ . 1 .]" 1
166 1 13 ILE HA 1 13 ILE HB 3.000 . 4.200 3.024 3.014 3.030 . 0 0 "[ . 1 .]" 1
167 1 13 ILE HA 1 13 ILE HG13 2.900 . 3.900 2.740 2.265 3.016 . 0 0 "[ . 1 .]" 1
168 1 13 ILE HA 1 13 ILE HG12 3.100 . 4.300 2.916 2.355 3.629 . 0 0 "[ . 1 .]" 1
169 1 13 ILE HA 1 13 ILE MG 2.500 . 3.300 2.428 2.334 2.542 . 0 0 "[ . 1 .]" 1
170 1 13 ILE HA 1 14 PHE HB3 4.800 . 6.000 4.505 4.380 4.604 . 0 0 "[ . 1 .]" 1
171 1 13 ILE HA 1 14 PHE HB2 4.600 . 6.000 4.670 4.576 4.843 . 0 0 "[ . 1 .]" 1
172 1 13 ILE HA 1 86 ALA MB 3.600 . 5.300 3.340 2.784 3.823 . 0 0 "[ . 1 .]" 1
173 1 13 ILE HB 1 57 VAL MG1 3.500 . 5.100 3.335 3.055 3.756 . 0 0 "[ . 1 .]" 1
174 1 13 ILE HA 1 13 ILE MD 3.600 . 5.200 3.647 3.076 3.926 . 0 0 "[ . 1 .]" 1
175 1 13 ILE HB 1 13 ILE MD 2.400 . 3.100 2.347 2.262 2.472 . 0 0 "[ . 1 .]" 1
176 1 13 ILE MD 1 13 ILE HG13 2.200 . 2.800 2.118 2.108 2.122 . 0 0 "[ . 1 .]" 1
177 1 13 ILE MD 1 31 PHE HB3 3.900 . 5.800 4.554 3.752 5.241 . 0 0 "[ . 1 .]" 1
178 1 13 ILE MD 1 31 PHE QD 3.300 . 4.600 3.127 2.411 4.161 . 0 0 "[ . 1 .]" 1
179 1 13 ILE MD 1 31 PHE QE 3.200 . 4.500 3.087 2.113 4.552 0.052 6 0 "[ . 1 .]" 1
180 1 13 ILE MD 1 57 VAL HB 3.000 . 4.100 3.230 2.855 3.687 . 0 0 "[ . 1 .]" 1
181 1 13 ILE MD 1 59 MET HB2 3.300 . 4.600 3.909 3.328 4.303 . 0 0 "[ . 1 .]" 1
182 1 13 ILE MD 1 59 MET HG3 3.100 . 4.300 2.486 2.008 3.017 . 0 0 "[ . 1 .]" 1
183 1 13 ILE MD 1 65 ALA HA 2.300 . 2.900 2.112 1.680 2.542 0.020 13 0 "[ . 1 .]" 1
184 1 13 ILE MD 1 65 ALA MB 2.500 . 3.300 2.626 1.887 3.358 0.058 2 0 "[ . 1 .]" 1
185 1 13 ILE MD 1 68 ALA HA 4.000 . 6.000 4.729 4.285 5.502 . 0 0 "[ . 1 .]" 1
186 1 13 ILE MD 1 68 ALA MB 2.200 . 2.800 2.221 1.837 2.837 0.037 6 0 "[ . 1 .]" 1
187 1 13 ILE HG13 1 57 VAL HB 4.500 . 6.000 4.773 4.183 5.712 . 0 0 "[ . 1 .]" 1
188 1 13 ILE HG13 1 13 ILE MG 2.900 . 4.000 3.006 2.597 3.204 . 0 0 "[ . 1 .]" 1
189 1 13 ILE HG13 1 65 ALA HA 3.600 . 5.300 4.024 3.280 4.710 . 0 0 "[ . 1 .]" 1
190 1 13 ILE HG12 1 85 LEU QD 3.300 . 4.700 2.731 1.969 3.942 . 0 0 "[ . 1 .]" 1
191 1 13 ILE HG12 1 57 VAL HB 4.400 . 6.000 4.985 4.640 5.307 . 0 0 "[ . 1 .]" 1
192 1 13 ILE HG12 1 13 ILE MG 2.200 . 2.800 2.278 2.142 2.436 . 0 0 "[ . 1 .]" 1
193 1 13 ILE HB 1 13 ILE MG 2.200 . 2.800 2.126 2.121 2.130 . 0 0 "[ . 1 .]" 1
194 1 13 ILE MG 1 31 PHE HZ 4.000 . 6.000 3.661 2.975 4.352 . 0 0 "[ . 1 .]" 1
195 1 13 ILE MG 1 56 PHE HA 4.100 . 6.000 4.575 4.008 4.992 . 0 0 "[ . 1 .]" 1
196 1 13 ILE MG 1 59 MET HG3 3.600 . 6.000 5.379 4.339 6.134 0.134 3 0 "[ . 1 .]" 1
197 1 13 ILE MG 1 83 VAL MG1 2.400 . 3.100 2.010 1.712 2.430 . 0 0 "[ . 1 .]" 1
198 1 13 ILE MG 1 83 VAL MG2 2.700 . 3.600 3.298 2.258 3.641 0.041 7 0 "[ . 1 .]" 1
199 1 13 ILE MG 1 84 ASN HA 3.400 . 4.800 4.068 3.550 4.653 . 0 0 "[ . 1 .]" 1
200 1 13 ILE MG 1 84 ASN HB3 4.400 . 6.000 5.284 4.944 6.008 0.008 14 0 "[ . 1 .]" 1
201 1 13 ILE MG 1 84 ASN HB2 3.800 . 5.600 5.333 4.800 5.838 0.238 11 0 "[ . 1 .]" 1
202 1 14 PHE HA 1 14 PHE HB2 2.800 . 3.800 2.420 2.382 2.461 . 0 0 "[ . 1 .]" 1
203 1 14 PHE HA 1 14 PHE QD 3.100 . 4.300 2.662 2.367 2.828 . 0 0 "[ . 1 .]" 1
204 1 14 PHE HA 1 14 PHE QE 4.200 . 6.000 4.658 4.487 4.767 . 0 0 "[ . 1 .]" 1
205 1 14 PHE HA 1 15 VAL MG1 4.800 . 6.000 5.452 5.382 5.504 . 0 0 "[ . 1 .]" 1
206 1 14 PHE HA 1 15 VAL MG2 4.500 . 6.000 3.525 3.253 3.794 . 0 0 "[ . 1 .]" 1
207 1 14 PHE HA 1 56 PHE HB2 5.200 . 6.000 5.327 5.083 5.637 . 0 0 "[ . 1 .]" 1
208 1 14 PHE HA 1 56 PHE QD 3.200 . 4.500 2.797 2.403 3.413 . 0 0 "[ . 1 .]" 1
209 1 14 PHE HA 1 86 ALA HA 4.300 . 6.000 4.560 3.713 5.489 . 0 0 "[ . 1 .]" 1
210 1 14 PHE HA 1 86 ALA MB 3.600 . 5.300 3.382 2.735 4.364 . 0 0 "[ . 1 .]" 1
211 1 14 PHE HB3 1 14 PHE QD 3.000 . 4.100 2.296 2.261 2.339 . 0 0 "[ . 1 .]" 1
212 1 14 PHE HB3 1 14 PHE QE 4.800 . 6.000 4.378 4.363 4.398 . 0 0 "[ . 1 .]" 1
213 1 14 PHE HB3 1 56 PHE QE 5.200 . 6.000 4.423 4.032 4.895 . 0 0 "[ . 1 .]" 1
214 1 14 PHE HB3 1 56 PHE HZ 5.500 . 6.000 6.064 5.514 6.739 0.739 4 1 "[ +. 1 .]" 1
215 1 14 PHE HB2 1 14 PHE QD 3.100 . 4.300 2.518 2.440 2.617 . 0 0 "[ . 1 .]" 1
216 1 14 PHE HB2 1 14 PHE QE 4.400 . 6.000 4.436 4.402 4.463 . 0 0 "[ . 1 .]" 1
217 1 14 PHE HB2 1 56 PHE QE 3.200 . 4.500 2.727 2.296 3.248 . 0 0 "[ . 1 .]" 1
218 1 15 VAL HA 1 15 VAL HB 3.000 . 4.100 3.029 3.018 3.044 . 0 0 "[ . 1 .]" 1
219 1 15 VAL HA 1 83 VAL HA 2.500 . 3.300 2.624 2.038 3.037 . 0 0 "[ . 1 .]" 1
220 1 15 VAL HA 1 15 VAL MG1 2.400 . 3.100 2.322 2.258 2.430 . 0 0 "[ . 1 .]" 1
221 1 15 VAL HB 1 15 VAL MG1 2.100 . 2.700 2.122 2.111 2.129 . 0 0 "[ . 1 .]" 1
222 1 15 VAL MG1 1 18 LEU QD 2.400 . 3.100 1.824 1.602 2.648 0.098 5 0 "[ . 1 .]" 1
223 1 15 VAL MG1 1 31 PHE QE 3.300 . 4.700 2.969 2.790 3.345 . 0 0 "[ . 1 .]" 1
224 1 15 VAL MG1 1 31 PHE HZ 3.100 . 4.300 2.520 2.015 3.018 . 0 0 "[ . 1 .]" 1
225 1 15 VAL MG1 1 57 VAL HB 3.500 . 5.000 5.052 4.908 5.157 0.157 11 0 "[ . 1 .]" 1
226 1 15 VAL MG1 1 57 VAL MG2 3.000 . 4.200 3.708 3.454 3.918 . 0 0 "[ . 1 .]" 1
227 1 15 VAL MG1 1 81 ALA MB 2.600 . 3.500 2.640 1.901 3.268 . 0 0 "[ . 1 .]" 1
228 1 15 VAL MG1 1 83 VAL HA 3.300 . 4.700 3.562 2.952 3.943 . 0 0 "[ . 1 .]" 1
229 1 15 VAL MG1 1 83 VAL MG2 2.400 . 3.100 2.086 1.643 2.603 0.057 12 0 "[ . 1 .]" 1
230 1 15 VAL HA 1 15 VAL MG2 2.500 . 3.300 2.514 2.413 2.631 . 0 0 "[ . 1 .]" 1
231 1 15 VAL MG2 1 31 PHE QE 2.900 . 4.000 2.786 2.187 3.240 . 0 0 "[ . 1 .]" 1
232 1 15 VAL MG2 1 31 PHE HZ 2.800 . 3.800 2.421 2.081 2.851 . 0 0 "[ . 1 .]" 1
233 1 15 VAL MG2 1 56 PHE HA 3.100 . 4.300 3.195 2.327 4.263 . 0 0 "[ . 1 .]" 1
234 1 15 VAL MG2 1 83 VAL HA 3.200 . 4.500 3.487 2.631 4.285 . 0 0 "[ . 1 .]" 1
235 1 14 PHE QE 1 16 GLY HA3 3.800 . 5.600 4.053 3.207 4.858 . 0 0 "[ . 1 .]" 1
236 1 16 GLY HA3 1 54 TYR HB3 4.200 . 6.000 4.536 2.661 6.123 0.123 7 0 "[ . 1 .]" 1
237 1 14 PHE QE 1 16 GLY HA2 4.200 . 6.000 4.810 3.783 5.912 . 0 0 "[ . 1 .]" 1
238 1 16 GLY HA2 1 54 TYR HB2 4.900 . 6.000 5.159 4.804 5.852 . 0 0 "[ . 1 .]" 1
239 1 18 LEU HA 1 19 PRO QD 2.400 . 3.100 1.915 1.805 2.009 . 0 0 "[ . 1 .]" 1
240 1 17 GLY HA3 1 18 LEU HA 2.800 . 6.000 4.551 4.472 4.625 . 0 0 "[ . 1 .]" 1
241 1 18 LEU HA 1 18 LEU HB3 2.700 . 3.600 2.522 2.456 2.591 . 0 0 "[ . 1 .]" 1
242 1 18 LEU HA 1 18 LEU HG 3.200 . 4.500 3.028 2.341 3.756 . 0 0 "[ . 1 .]" 1
243 1 18 LEU HA 1 19 PRO HB2 4.400 . 6.000 4.994 4.793 5.526 . 0 0 "[ . 1 .]" 1
244 1 18 LEU HA 1 19 PRO HG3 4.800 . 6.000 4.252 4.168 4.406 . 0 0 "[ . 1 .]" 1
245 1 18 LEU HA 1 19 PRO HG2 4.600 . 6.000 4.333 4.015 4.438 . 0 0 "[ . 1 .]" 1
246 1 18 LEU HA 1 22 THR HB 4.600 . 6.000 3.893 3.537 4.223 . 0 0 "[ . 1 .]" 1
247 1 18 LEU HA 1 81 ALA MB 3.200 . 4.500 3.511 2.873 4.340 . 0 0 "[ . 1 .]" 1
248 1 18 LEU HB3 1 18 LEU QD 3.200 . 3.300 2.278 2.136 2.425 . 0 0 "[ . 1 .]" 1
249 1 18 LEU HB3 1 18 LEU HG 2.500 . 3.300 2.461 2.317 2.647 . 0 0 "[ . 1 .]" 1
250 1 18 LEU HB3 1 19 PRO HD2 3.200 . 4.400 2.977 2.544 3.424 . 0 0 "[ . 1 .]" 1
251 1 18 LEU HB2 1 18 LEU QD 3.200 . 3.300 2.153 2.062 2.235 . 0 0 "[ . 1 .]" 1
252 1 18 LEU HB2 1 18 LEU HG 2.800 . 3.800 2.779 2.503 3.013 . 0 0 "[ . 1 .]" 1
253 1 18 LEU HB2 1 19 PRO HD2 4.400 . 6.000 4.348 4.014 4.686 . 0 0 "[ . 1 .]" 1
254 1 18 LEU HB2 1 53 GLY HA3 4.300 . 6.000 3.860 3.005 4.410 . 0 0 "[ . 1 .]" 1
255 1 18 LEU HB2 1 53 GLY HA2 3.100 . 4.300 2.568 2.008 3.119 . 0 0 "[ . 1 .]" 1
256 1 15 VAL HB 1 18 LEU QD 3.300 . 4.700 2.609 1.893 3.311 0.007 14 0 "[ . 1 .]" 1
257 1 18 LEU HA 1 18 LEU QD 3.100 . 3.500 2.469 1.767 3.057 0.133 14 0 "[ . 1 .]" 1
258 1 18 LEU MD1 1 18 LEU MD2 2.400 . 3.100 2.071 2.035 2.095 . 0 0 "[ . 1 .]" 1
259 1 18 LEU QD 1 19 PRO HD3 3.800 . 4.400 3.851 2.924 4.395 . 0 0 "[ . 1 .]" 1
260 1 18 LEU QD 1 19 PRO HD2 3.600 . 4.800 3.307 2.371 3.848 . 0 0 "[ . 1 .]" 1
261 1 18 LEU QD 1 22 THR HB 3.800 . 5.600 2.942 2.184 3.570 . 0 0 "[ . 1 .]" 1
262 1 18 LEU QD 1 22 THR MG 3.000 . 4.100 1.748 1.680 1.831 0.220 10 0 "[ . 1 .]" 1
263 1 18 LEU QD 1 54 TYR HA 2.800 . 3.800 2.608 2.365 2.981 . 0 0 "[ . 1 .]" 1
264 1 18 LEU QD 1 22 THR HA 3.500 . 5.000 4.564 4.104 5.000 0.000 13 0 "[ . 1 .]" 1
265 1 15 VAL MG2 1 18 LEU HG 3.700 . 5.400 5.490 4.920 6.207 0.807 8 1 "[ . + 1 .]" 1
266 1 18 LEU HB3 1 19 PRO QD 3.300 . 4.700 2.895 2.511 3.272 . 0 0 "[ . 1 .]" 1
267 1 18 LEU HB2 1 19 PRO QD 4.500 . 6.000 4.044 3.842 4.241 . 0 0 "[ . 1 .]" 1
268 1 18 LEU QD 1 19 PRO QD 4.400 . 5.800 3.118 2.274 3.608 . 0 0 "[ . 1 .]" 1
269 1 19 PRO HB2 1 19 PRO QD 3.100 . 4.300 3.000 2.812 3.539 . 0 0 "[ . 1 .]" 1
270 1 19 PRO QD 1 19 PRO HG3 2.600 . 3.400 2.218 2.181 2.241 . 0 0 "[ . 1 .]" 1
271 1 19 PRO QD 1 76 ILE HB 3.500 . 5.100 3.350 2.700 4.077 . 0 0 "[ . 1 .]" 1
272 1 19 PRO QD 1 77 ASP HB2 4.600 . 6.000 3.926 3.175 4.571 . 0 0 "[ . 1 .]" 1
273 1 19 PRO QD 1 79 ARG HB3 3.500 . 5.100 3.139 1.939 4.113 . 0 0 "[ . 1 .]" 1
274 1 32 GLU HA 1 32 GLU HB2 2.600 . 3.400 2.476 2.351 3.019 . 0 0 "[ . 1 .]" 1
275 1 19 PRO HB3 1 19 PRO HG3 2.000 . 2.500 2.309 2.289 2.329 . 0 0 "[ . 1 .]" 1
276 1 19 PRO HB2 1 19 PRO HG3 3.000 . 4.200 2.948 2.690 2.998 . 0 0 "[ . 1 .]" 1
277 1 19 PRO HD3 1 19 PRO HG3 2.700 . 3.600 2.297 2.275 2.315 . 0 0 "[ . 1 .]" 1
278 1 19 PRO HG3 1 77 ASP HB2 4.600 . 6.000 4.949 3.306 5.673 . 0 0 "[ . 1 .]" 1
279 1 19 PRO HD2 1 19 PRO HG2 2.600 . 3.500 2.295 2.274 2.321 . 0 0 "[ . 1 .]" 1
280 1 19 PRO HG2 1 77 ASP HB2 3.200 . 4.500 3.418 2.757 3.993 . 0 0 "[ . 1 .]" 1
281 1 20 TYR HA 1 20 TYR HB2 3.000 . 4.100 3.018 2.995 3.031 . 0 0 "[ . 1 .]" 1
282 1 20 TYR HA 1 20 TYR QE 4.600 . 6.000 4.435 4.237 4.737 . 0 0 "[ . 1 .]" 1
283 1 20 TYR HA 1 53 GLY HA3 4.000 . 6.000 5.192 4.498 6.275 0.275 7 0 "[ . 1 .]" 1
284 1 20 TYR HB2 1 20 TYR QE 4.800 . 6.000 4.407 4.369 4.481 . 0 0 "[ . 1 .]" 1
285 1 20 TYR HA 1 20 TYR QD 2.700 . 3.600 2.404 1.926 3.183 . 0 0 "[ . 1 .]" 1
286 1 20 TYR HB2 1 20 TYR QD 3.300 . 4.600 2.364 2.264 2.708 . 0 0 "[ . 1 .]" 1
287 1 20 TYR HB3 1 20 TYR QD 2.900 . 3.900 2.587 2.285 2.768 . 0 0 "[ . 1 .]" 1
288 1 20 TYR QE 2 2 G H8 4.200 . 6.000 3.662 3.233 4.001 . 0 0 "[ . 1 .]" 1
289 1 21 HIS HA 1 21 HIS HB3 2.700 . 3.600 2.868 2.428 3.036 . 0 0 "[ . 1 .]" 1
290 1 21 HIS HA 1 21 HIS HB2 2.700 . 3.600 2.426 2.266 2.506 . 0 0 "[ . 1 .]" 1
291 1 21 HIS HB2 1 21 HIS HD2 3.800 . 5.600 3.733 2.957 3.969 . 0 0 "[ . 1 .]" 1
292 1 21 HIS HB3 1 21 HIS HD2 3.500 . 5.000 3.078 2.700 3.992 . 0 0 "[ . 1 .]" 1
293 1 21 HIS HD2 1 22 THR HA 3.400 . 4.900 4.078 3.133 4.996 0.096 6 0 "[ . 1 .]" 1
294 1 18 LEU HB3 1 22 THR HA 3.400 . 4.900 4.775 4.380 4.946 0.046 11 0 "[ . 1 .]" 1
295 1 18 LEU HG 1 22 THR HA 5.000 . 6.000 6.153 5.657 6.446 0.446 9 0 "[ . 1 .]" 1
296 1 22 THR HA 1 22 THR HB 2.700 . 3.600 3.009 2.993 3.025 . 0 0 "[ . 1 .]" 1
297 1 22 THR HA 1 26 THR HB 3.500 . 5.000 3.361 2.530 3.938 . 0 0 "[ . 1 .]" 1
298 1 18 LEU HB3 1 22 THR HB 2.000 . 2.500 1.893 1.534 2.117 . 0 0 "[ . 1 .]" 1
299 1 18 LEU HB2 1 22 THR HB 4.300 . 6.000 3.407 2.845 3.633 . 0 0 "[ . 1 .]" 1
300 1 18 LEU HG 1 22 THR HB 4.200 . 6.000 3.800 3.013 4.163 . 0 0 "[ . 1 .]" 1
301 1 19 PRO HG3 1 22 THR HB 4.700 . 6.000 5.561 5.179 5.956 . 0 0 "[ . 1 .]" 1
302 1 22 THR HB 1 42 VAL MG2 3.400 . 4.900 4.208 3.309 4.788 . 0 0 "[ . 1 .]" 1
303 1 19 PRO HD3 1 22 THR MG 4.200 . 6.000 4.364 3.940 5.143 . 0 0 "[ . 1 .]" 1
304 1 19 PRO HG2 1 22 THR MG 3.900 . 5.800 4.334 3.909 5.072 . 0 0 "[ . 1 .]" 1
305 1 22 THR HA 1 22 THR MG 2.200 . 2.800 2.330 2.194 2.458 . 0 0 "[ . 1 .]" 1
306 1 22 THR HB 1 22 THR MG 2.000 . 2.500 2.138 2.133 2.144 . 0 0 "[ . 1 .]" 1
307 1 22 THR MG 1 26 THR HB 2.200 . 2.800 2.087 1.719 2.481 . 0 0 "[ . 1 .]" 1
308 1 22 THR MG 1 77 ASP HB3 3.600 . 5.200 3.967 3.073 5.217 0.017 6 0 "[ . 1 .]" 1
309 1 22 THR MG 1 77 ASP HB2 3.500 . 5.000 3.463 2.143 5.022 0.022 12 0 "[ . 1 .]" 1
310 1 23 SER HA 1 23 SER HB3 2.200 . 2.800 2.365 2.336 2.431 . 0 0 "[ . 1 .]" 1
311 1 23 SER HA 1 23 SER HB2 2.200 . 2.800 2.561 2.499 2.585 . 0 0 "[ . 1 .]" 1
312 1 23 SER HA 1 42 VAL HB 4.000 . 6.000 3.574 2.979 4.249 . 0 0 "[ . 1 .]" 1
313 1 23 SER HA 1 42 VAL MG1 3.900 . 5.800 3.373 2.654 3.973 . 0 0 "[ . 1 .]" 1
314 1 23 SER HA 1 42 VAL MG2 3.000 . 4.100 2.497 1.913 3.148 . 0 0 "[ . 1 .]" 1
315 1 24 ASP HA 1 24 ASP HB3 2.400 . 3.100 2.387 2.371 2.421 . 0 0 "[ . 1 .]" 1
316 1 24 ASP HA 1 24 ASP HB2 2.900 . 4.000 3.022 3.013 3.028 . 0 0 "[ . 1 .]" 1
317 1 25 LYS HA 1 28 HIS HA 4.300 . 6.000 5.114 4.600 5.390 . 0 0 "[ . 1 .]" 1
318 1 25 LYS HA 1 25 LYS HG3 3.100 . 4.300 3.758 3.604 3.892 . 0 0 "[ . 1 .]" 1
319 1 25 LYS HA 1 25 LYS HG2 3.000 . 4.100 3.763 3.632 3.920 . 0 0 "[ . 1 .]" 1
320 1 25 LYS HG3 1 26 THR HA 3.500 . 5.000 3.453 3.026 3.852 . 0 0 "[ . 1 .]" 1
321 1 22 THR MG 1 26 THR HA 4.600 . 6.000 4.441 4.222 4.727 . 0 0 "[ . 1 .]" 1
322 1 26 THR HA 1 26 THR HB 2.300 . 3.000 3.022 3.013 3.034 0.034 11 0 "[ . 1 .]" 1
323 1 26 THR HA 1 29 GLU HB3 3.600 . 5.200 4.510 3.675 4.806 . 0 0 "[ . 1 .]" 1
324 1 26 THR HA 1 29 GLU HB2 2.300 . 3.000 2.933 2.274 3.184 0.184 4 0 "[ . 1 .]" 1
325 1 26 THR HA 1 29 GLU QG 3.500 . 5.100 2.996 2.119 3.642 . 0 0 "[ . 1 .]" 1
326 1 18 LEU HB3 1 26 THR HB 2.500 . 6.000 5.775 5.134 6.110 0.110 14 0 "[ . 1 .]" 1
327 1 18 LEU HG 1 26 THR HB 3.300 . 6.000 5.892 5.183 6.174 0.174 11 0 "[ . 1 .]" 1
328 1 26 THR HB 1 42 VAL MG2 4.000 . 6.000 4.334 3.722 4.763 . 0 0 "[ . 1 .]" 1
329 1 26 THR HB 1 76 ILE MG 4.500 . 6.000 4.109 3.211 5.042 . 0 0 "[ . 1 .]" 1
330 1 26 THR MG 1 29 GLU QG 3.600 . 6.000 4.379 3.231 5.155 . 0 0 "[ . 1 .]" 1
331 1 22 THR HA 1 26 THR MG 3.300 . 4.700 3.022 2.429 3.564 . 0 0 "[ . 1 .]" 1
332 1 26 THR HA 1 26 THR MG 2.200 . 2.800 2.343 2.257 2.500 . 0 0 "[ . 1 .]" 1
333 1 26 THR HB 1 26 THR MG 1.900 . 2.400 2.132 2.119 2.141 . 0 0 "[ . 1 .]" 1
334 1 26 THR MG 1 76 ILE MG 2.500 . 3.300 2.515 1.963 3.078 . 0 0 "[ . 1 .]" 1
335 1 26 THR MG 1 77 ASP HB2 3.000 . 4.100 2.820 1.862 4.294 0.194 13 0 "[ . 1 .]" 1
336 1 27 LEU HA 1 30 TYR HB3 3.400 . 4.900 3.144 2.749 3.506 . 0 0 "[ . 1 .]" 1
337 1 27 LEU HA 1 31 PHE HB2 3.300 . 6.000 4.523 4.040 4.972 . 0 0 "[ . 1 .]" 1
338 1 27 LEU HA 1 76 ILE MG 3.500 . 5.000 3.983 3.161 4.917 . 0 0 "[ . 1 .]" 1
339 1 27 LEU HB3 1 57 VAL MG2 3.200 . 4.500 2.316 2.007 3.708 . 0 0 "[ . 1 .]" 1
340 1 27 LEU HB2 1 57 VAL MG2 4.600 . 6.000 3.445 3.214 4.452 . 0 0 "[ . 1 .]" 1
341 1 15 VAL HB 1 27 LEU QD 2.400 . 3.100 2.770 2.441 2.893 . 0 0 "[ . 1 .]" 1
342 1 18 LEU QD 1 27 LEU QD 2.300 . 2.900 1.667 1.508 1.914 0.192 14 0 "[ . 1 .]" 1
343 1 18 LEU HG 1 27 LEU QD 3.300 . 4.600 2.864 2.061 3.413 . 0 0 "[ . 1 .]" 1
344 1 24 ASP HA 1 27 LEU QD 3.200 . 4.500 3.226 2.916 3.587 . 0 0 "[ . 1 .]" 1
345 1 27 LEU HA 1 27 LEU QD . . 2.800 1.872 1.764 1.991 0.236 14 0 "[ . 1 .]" 1
346 1 27 LEU HB3 1 27 LEU QD 2.500 . 3.300 2.116 2.083 2.314 . 0 0 "[ . 1 .]" 1
347 1 27 LEU HB2 1 27 LEU QD 2.400 . 3.100 2.256 2.108 2.328 . 0 0 "[ . 1 .]" 1
348 1 27 LEU QD 1 42 VAL HA 3.300 . 4.600 3.262 2.810 3.657 . 0 0 "[ . 1 .]" 1
349 1 27 LEU QD 1 42 VAL HB 4.500 . 6.000 4.432 4.126 4.945 . 0 0 "[ . 1 .]" 1
350 1 27 LEU QD 1 57 VAL HB 3.700 . 5.400 3.991 3.745 4.235 . 0 0 "[ . 1 .]" 1
351 1 27 LEU QD 1 57 VAL MG2 2.500 . 3.300 1.984 1.753 2.219 . 0 0 "[ . 1 .]" 1
352 1 15 VAL MG1 1 27 LEU QD 2.300 . 2.900 2.103 1.677 2.693 0.023 6 0 "[ . 1 .]" 1
353 1 27 LEU MD1 1 27 LEU MD2 2.100 . 2.700 2.088 2.076 2.101 . 0 0 "[ . 1 .]" 1
354 1 27 LEU QD 1 31 PHE QD 2.900 . 4.000 2.811 2.504 2.978 . 0 0 "[ . 1 .]" 1
355 1 27 LEU QD 1 31 PHE QE 2.500 . 3.300 2.020 1.700 2.495 0.000 14 0 "[ . 1 .]" 1
356 1 27 LEU QD 1 31 PHE HZ 3.700 . 5.400 3.345 3.132 3.648 . 0 0 "[ . 1 .]" 1
357 1 27 LEU QD 1 76 ILE MD 3.000 . 4.100 2.471 1.897 3.034 0.003 11 0 "[ . 1 .]" 1
358 1 28 HIS HA 1 28 HIS QB 2.200 . 2.800 2.373 2.329 2.435 . 0 0 "[ . 1 .]" 1
359 1 28 HIS HA 1 37 ILE MD 2.700 . 3.600 1.840 1.728 1.989 0.072 9 0 "[ . 1 .]" 1
360 1 28 HIS HA 1 37 ILE MG 3.700 . 5.400 3.082 2.786 3.265 . 0 0 "[ . 1 .]" 1
361 1 28 HIS HA 1 57 VAL MG2 3.200 . 4.400 4.414 4.101 4.554 0.154 12 0 "[ . 1 .]" 1
362 1 25 LYS HA 1 28 HIS QB 2.600 . 3.400 2.403 2.068 2.628 . 0 0 "[ . 1 .]" 1
363 1 28 HIS QB 1 40 ALA MB 2.600 . 3.500 2.434 2.075 2.806 . 0 0 "[ . 1 .]" 1
364 1 28 HIS QB 1 57 VAL MG2 4.400 . 6.000 5.199 4.908 5.362 . 0 0 "[ . 1 .]" 1
365 1 28 HIS HA 1 28 HIS HD2 3.500 . 5.000 3.311 3.062 3.781 . 0 0 "[ . 1 .]" 1
366 1 28 HIS QB 1 28 HIS HD2 3.000 . 4.100 2.760 2.625 2.832 . 0 0 "[ . 1 .]" 1
367 1 28 HIS HD2 1 37 ILE MG 3.200 . 4.500 3.129 2.083 3.808 . 0 0 "[ . 1 .]" 1
368 1 28 HIS HD2 1 40 ALA MB 3.000 . 4.100 3.212 2.688 3.582 . 0 0 "[ . 1 .]" 1
369 1 29 GLU HA 1 29 GLU HB3 2.300 . 3.000 2.468 2.432 2.576 . 0 0 "[ . 1 .]" 1
370 1 29 GLU HA 1 29 GLU HB2 2.900 . 3.900 3.020 3.010 3.030 . 0 0 "[ . 1 .]" 1
371 1 29 GLU HB3 1 29 GLU QG 3.000 . 3.100 2.307 2.265 2.396 . 0 0 "[ . 1 .]" 1
372 1 29 GLU HB2 1 29 GLU QG 2.300 . 3.000 2.181 2.149 2.350 . 0 0 "[ . 1 .]" 1
373 1 25 LYS HA 1 29 GLU QG 3.500 . 4.300 3.876 3.432 4.178 . 0 0 "[ . 1 .]" 1
374 1 28 HIS QB 1 29 GLU QG 4.800 . 5.000 3.212 2.954 3.472 . 0 0 "[ . 1 .]" 1
375 1 29 GLU HA 1 29 GLU QG 3.000 . 3.400 2.940 2.394 3.098 . 0 0 "[ . 1 .]" 1
376 1 30 TYR HA 1 30 TYR QD 3.100 . 4.300 2.832 2.249 3.078 . 0 0 "[ . 1 .]" 1
377 1 30 TYR HA 1 30 TYR QE 4.000 . 6.000 4.532 4.409 4.715 . 0 0 "[ . 1 .]" 1
378 1 30 TYR QE 1 31 PHE QE 3.800 . 5.600 4.799 3.951 5.687 0.087 11 0 "[ . 1 .]" 1
379 1 30 TYR HB3 1 30 TYR QE 4.400 . 6.000 4.417 4.379 4.463 . 0 0 "[ . 1 .]" 1
380 1 30 TYR QE 1 34 PHE QE 3.300 . 4.700 3.245 2.427 4.369 . 0 0 "[ . 1 .]" 1
381 1 30 TYR QE 1 74 PRO HB2 3.300 . 4.700 2.975 1.894 4.048 0.006 6 0 "[ . 1 .]" 1
382 1 30 TYR QE 1 76 ILE HB 4.500 . 6.000 5.793 5.206 6.148 0.148 15 0 "[ . 1 .]" 1
383 1 30 TYR QE 1 76 ILE MD 4.000 . 6.000 3.692 2.823 4.941 . 0 0 "[ . 1 .]" 1
384 1 30 TYR QD 1 31 PHE HA 3.600 . 5.200 3.585 2.985 4.375 . 0 0 "[ . 1 .]" 1
385 1 31 PHE HA 1 31 PHE HB3 2.700 . 3.600 2.590 2.573 2.621 . 0 0 "[ . 1 .]" 1
386 1 31 PHE HA 1 32 GLU HB3 3.700 . 6.000 5.884 5.679 6.524 0.524 9 1 "[ . +1 .]" 1
387 1 31 PHE HA 1 34 PHE QD 2.600 . 3.500 2.043 1.717 2.614 . 0 0 "[ . 1 .]" 1
388 1 31 PHE HA 1 34 PHE QE 3.300 . 4.700 2.864 2.624 3.324 . 0 0 "[ . 1 .]" 1
389 1 31 PHE HA 1 68 ALA MB 3.800 . 5.600 4.379 3.861 5.154 . 0 0 "[ . 1 .]" 1
390 1 31 PHE HB3 1 31 PHE QD 2.600 . 3.400 2.286 2.247 2.356 . 0 0 "[ . 1 .]" 1
391 1 31 PHE HB3 1 57 VAL MG2 3.700 . 5.400 3.853 3.445 4.193 . 0 0 "[ . 1 .]" 1
392 1 31 PHE HB3 1 59 MET ME 2.700 . 3.600 2.890 2.402 3.271 . 0 0 "[ . 1 .]" 1
393 1 31 PHE HB3 1 68 ALA MB 3.300 . 4.600 4.166 3.578 4.639 0.039 14 0 "[ . 1 .]" 1
394 1 31 PHE HA 1 31 PHE HB2 2.900 . 4.000 2.980 2.961 2.992 . 0 0 "[ . 1 .]" 1
395 1 31 PHE HB2 1 31 PHE QD 3.000 . 4.100 2.548 2.435 2.696 . 0 0 "[ . 1 .]" 1
396 1 31 PHE HB2 1 57 VAL MG2 3.200 . 4.500 3.312 2.965 3.663 . 0 0 "[ . 1 .]" 1
397 1 31 PHE HB2 1 59 MET ME 4.200 . 6.000 4.199 3.803 4.532 . 0 0 "[ . 1 .]" 1
398 1 31 PHE HB2 1 68 ALA MB 4.500 . 6.000 5.415 4.874 5.991 . 0 0 "[ . 1 .]" 1
399 1 30 TYR QD 1 31 PHE QD 3.900 . 5.800 3.284 2.566 4.024 . 0 0 "[ . 1 .]" 1
400 1 31 PHE HA 1 31 PHE QD 3.100 . 4.300 2.990 2.733 3.067 . 0 0 "[ . 1 .]" 1
401 1 31 PHE QD 1 34 PHE QD 3.300 . 4.700 3.477 2.773 4.026 . 0 0 "[ . 1 .]" 1
402 1 31 PHE QD 1 68 ALA HA 4.000 . 6.000 4.767 3.487 5.805 . 0 0 "[ . 1 .]" 1
403 1 13 ILE HG12 1 31 PHE QE 3.300 . 4.700 4.465 2.970 4.913 0.213 2 0 "[ . 1 .]" 1
404 1 13 ILE MG 1 31 PHE QE 2.800 . 3.800 2.464 1.910 3.214 . 0 0 "[ . 1 .]" 1
405 1 31 PHE HB2 1 31 PHE QE 4.600 . 6.000 4.452 4.418 4.488 . 0 0 "[ . 1 .]" 1
406 1 31 PHE QE 1 68 ALA MB 2.700 . 3.600 2.568 2.007 3.718 0.118 2 0 "[ . 1 .]" 1
407 1 31 PHE QE 1 83 VAL MG1 3.600 . 5.200 3.039 2.132 4.044 . 0 0 "[ . 1 .]" 1
408 1 31 PHE HZ 1 34 PHE QE 3.400 . 6.000 5.211 4.614 5.612 . 0 0 "[ . 1 .]" 1
409 1 32 GLU HA 1 37 ILE MD 2.800 . 3.800 3.150 2.725 3.619 . 0 0 "[ . 1 .]" 1
410 1 32 GLU HG2 1 37 ILE MD 4.300 . 6.000 3.395 2.013 4.726 . 0 0 "[ . 1 .]" 1
411 1 33 GLN HA 1 33 GLN QB 2.400 . 3.100 2.437 2.405 2.449 . 0 0 "[ . 1 .]" 1
412 1 33 GLN QB 1 33 GLN HG2 2.900 . 3.900 2.378 2.324 2.422 . 0 0 "[ . 1 .]" 1
413 1 33 GLN HA 1 33 GLN HG3 3.300 . 4.600 3.323 2.895 3.739 . 0 0 "[ . 1 .]" 1
414 1 34 PHE HA 1 34 PHE QD 2.800 . 3.800 2.696 2.518 2.867 . 0 0 "[ . 1 .]" 1
415 1 34 PHE HB3 1 34 PHE QD 3.000 . 4.100 2.482 2.419 2.532 . 0 0 "[ . 1 .]" 1
416 1 34 PHE HB2 1 67 ARG HB3 4.300 . 6.000 4.739 3.727 6.011 0.011 7 0 "[ . 1 .]" 1
417 1 34 PHE HB2 1 67 ARG HB2 4.300 . 6.000 4.318 3.587 5.602 . 0 0 "[ . 1 .]" 1
418 1 34 PHE HB2 1 34 PHE QD 3.000 . 4.100 2.314 2.281 2.358 . 0 0 "[ . 1 .]" 1
419 1 31 PHE QE 1 34 PHE QE 3.400 . 4.800 4.389 3.345 4.807 0.007 4 0 "[ . 1 .]" 1
420 1 35 GLY HA3 1 64 SER HB2 3.900 . 5.800 3.571 2.902 4.582 . 0 0 "[ . 1 .]" 1
421 1 35 GLY HA3 1 59 MET ME 3.600 . 5.300 3.283 2.855 4.047 . 0 0 "[ . 1 .]" 1
422 1 35 GLY HA2 1 64 SER HB2 4.600 . 6.000 5.283 4.656 6.118 0.118 14 0 "[ . 1 .]" 1
423 1 35 GLY HA2 1 59 MET ME 4.200 . 6.000 4.302 3.935 4.683 . 0 0 "[ . 1 .]" 1
424 1 36 ASP HA 1 36 ASP HB3 2.400 . 3.100 2.549 2.468 2.587 . 0 0 "[ . 1 .]" 1
425 1 36 ASP HA 1 36 ASP HB2 2.600 . 3.500 3.015 2.992 3.034 . 0 0 "[ . 1 .]" 1
426 1 36 ASP HA 1 37 ILE QG 3.900 . 5.800 3.854 3.543 4.171 . 0 0 "[ . 1 .]" 1
427 1 36 ASP QB 1 60 LYS HA 4.400 . 6.000 4.483 4.140 5.020 . 0 0 "[ . 1 .]" 1
428 1 36 ASP QB 1 60 LYS HB2 2.900 . 3.900 2.416 1.945 3.269 . 0 0 "[ . 1 .]" 1
429 1 36 ASP QB 1 60 LYS QD 2.400 . 3.100 2.593 1.666 3.075 0.034 11 0 "[ . 1 .]" 1
430 1 36 ASP QB 1 60 LYS QG 4.000 . 6.000 3.390 2.322 3.903 . 0 0 "[ . 1 .]" 1
431 1 37 ILE HA 1 37 ILE HB 2.700 . 3.600 3.016 2.993 3.035 . 0 0 "[ . 1 .]" 1
432 1 37 ILE HA 1 37 ILE MD 4.500 . 6.000 3.829 3.710 3.927 . 0 0 "[ . 1 .]" 1
433 1 37 ILE HA 1 37 ILE QG 2.700 . 3.300 2.530 2.337 2.733 . 0 0 "[ . 1 .]" 1
434 1 37 ILE HA 1 37 ILE MG 2.300 . 3.000 2.357 2.246 2.500 . 0 0 "[ . 1 .]" 1
435 1 37 ILE HA 1 57 VAL MG1 4.100 . 6.000 3.942 3.584 4.221 . 0 0 "[ . 1 .]" 1
436 1 37 ILE HA 1 59 MET HA 2.000 . 2.500 2.006 1.858 2.265 . 0 0 "[ . 1 .]" 1
437 1 37 ILE HA 1 59 MET ME 3.200 . 4.500 3.054 2.709 3.437 . 0 0 "[ . 1 .]" 1
438 1 28 HIS HE1 1 37 ILE HB 2.900 . 6.000 5.406 4.575 6.075 0.075 4 0 "[ . 1 .]" 1
439 1 37 ILE HB 1 37 ILE MD 2.700 . 3.600 2.423 2.344 2.531 . 0 0 "[ . 1 .]" 1
440 1 37 ILE HB 1 37 ILE MG 2.100 . 2.600 2.125 2.117 2.131 . 0 0 "[ . 1 .]" 1
441 1 37 ILE HB 1 57 VAL MG2 3.500 . 6.000 5.943 5.689 6.050 0.050 14 0 "[ . 1 .]" 1
442 1 37 ILE MD 1 57 VAL MG1 3.100 . 4.300 2.701 2.269 3.112 . 0 0 "[ . 1 .]" 1
443 1 27 LEU HA 1 37 ILE MD 2.500 . 6.000 4.877 4.537 5.211 . 0 0 "[ . 1 .]" 1
444 1 27 LEU QD 1 37 ILE MD 2.900 . 6.000 4.562 4.170 4.936 . 0 0 "[ . 1 .]" 1
445 1 28 HIS QB 1 37 ILE MD 3.800 . 5.600 3.427 3.261 3.747 . 0 0 "[ . 1 .]" 1
446 1 31 PHE HB3 1 37 ILE MD 2.700 . 3.600 2.451 2.107 2.787 . 0 0 "[ . 1 .]" 1
447 1 31 PHE HB2 1 37 ILE MD 2.300 . 3.000 1.776 1.539 2.135 0.061 7 0 "[ . 1 .]" 1
448 1 32 GLU HB3 1 37 ILE MD 2.800 . 3.800 2.783 2.190 4.302 0.502 9 1 "[ . +1 .]" 1
449 1 32 GLU HG3 1 37 ILE MD 3.400 . 4.800 4.464 3.373 4.793 . 0 0 "[ . 1 .]" 1
450 1 37 ILE MD 1 37 ILE MG 2.000 . 2.500 1.798 1.715 1.880 . 0 0 "[ . 1 .]" 1
451 1 37 ILE MD 1 40 ALA MB 2.900 . 4.000 2.783 2.296 3.237 . 0 0 "[ . 1 .]" 1
452 1 37 ILE MG 1 58 THR MG 3.600 . 5.200 4.890 4.493 5.206 0.006 2 0 "[ . 1 .]" 1
453 1 37 ILE HB 1 37 ILE MG 2.100 . 2.600 1.981 1.950 2.002 . 0 0 "[ . 1 .]" 1
454 1 27 LEU QD 1 37 ILE MG 3.000 . 6.000 5.050 4.783 5.204 . 0 0 "[ . 1 .]" 1
455 1 37 ILE MG 1 38 GLU QG 4.400 . 6.000 5.036 4.823 5.374 . 0 0 "[ . 1 .]" 1
456 1 37 ILE MG 1 40 ALA MB 2.300 . 2.900 2.262 1.951 2.579 . 0 0 "[ . 1 .]" 1
457 1 37 ILE MG 1 57 VAL MG2 2.700 . 3.600 3.551 3.291 3.673 0.073 7 0 "[ . 1 .]" 1
458 1 37 ILE MG 1 59 MET HA 3.200 . 4.500 2.989 2.456 3.412 . 0 0 "[ . 1 .]" 1
459 1 38 GLU HA 1 58 THR MG 4.600 . 6.000 5.438 4.883 5.764 . 0 0 "[ . 1 .]" 1
460 1 38 GLU HA 1 38 GLU HB3 2.600 . 3.400 3.016 2.992 3.037 . 0 0 "[ . 1 .]" 1
461 1 38 GLU HA 1 38 GLU HB2 2.400 . 3.100 2.544 2.451 2.613 . 0 0 "[ . 1 .]" 1
462 1 38 GLU HA 1 60 LYS QE 3.300 . 4.700 3.425 2.393 4.563 . 0 0 "[ . 1 .]" 1
463 1 38 GLU HB3 1 58 THR MG 2.800 . 3.800 2.862 2.246 3.231 . 0 0 "[ . 1 .]" 1
464 1 38 GLU HB2 1 58 THR MG 3.300 . 4.600 3.714 3.118 4.163 . 0 0 "[ . 1 .]" 1
465 1 38 GLU QG 1 39 GLU HG2 4.200 . 6.000 5.688 5.191 6.437 0.437 13 0 "[ . 1 .]" 1
466 1 6 ARG QD 1 38 GLU QG 3.200 . 4.500 3.846 2.820 4.262 . 0 0 "[ . 1 .]" 1
467 1 38 GLU HA 1 38 GLU QG 2.500 . 3.300 2.602 2.239 3.023 . 0 0 "[ . 1 .]" 1
468 1 38 GLU HB3 1 38 GLU QG 2.200 . 2.800 2.237 2.151 2.404 . 0 0 "[ . 1 .]" 1
469 1 38 GLU HB2 1 38 GLU QG 2.200 . 2.800 2.354 2.270 2.423 . 0 0 "[ . 1 .]" 1
470 1 38 GLU QG 1 39 GLU HA 3.500 . 5.000 4.576 4.256 4.973 . 0 0 "[ . 1 .]" 1
471 1 38 GLU QG 1 58 THR HB 3.400 . 4.900 4.358 3.521 4.934 0.034 10 0 "[ . 1 .]" 1
472 1 38 GLU QG 1 58 THR MG 3.200 . 4.500 3.810 2.806 4.562 0.062 10 0 "[ . 1 .]" 1
473 1 38 GLU QG 1 60 LYS HA 2.900 . 4.000 3.784 3.259 4.163 0.163 10 0 "[ . 1 .]" 1
474 1 38 GLU QG 1 60 LYS QG 3.800 . 5.600 3.735 2.383 5.223 . 0 0 "[ . 1 .]" 1
475 1 39 GLU HA 1 39 GLU HB3 2.800 . 3.800 3.025 3.018 3.029 . 0 0 "[ . 1 .]" 1
476 1 39 GLU HA 1 39 GLU HB2 2.400 . 3.100 2.461 2.398 2.530 . 0 0 "[ . 1 .]" 1
477 1 39 GLU HA 1 39 GLU HG2 3.100 . 4.300 3.585 3.089 3.841 . 0 0 "[ . 1 .]" 1
478 1 39 GLU HB3 1 39 GLU HG2 2.500 . 3.300 2.404 2.354 2.467 . 0 0 "[ . 1 .]" 1
479 1 39 GLU HB2 1 39 GLU HG2 2.700 . 3.600 2.649 2.414 3.012 . 0 0 "[ . 1 .]" 1
480 1 39 GLU HB2 1 39 GLU HG3 2.800 . 3.800 2.823 2.415 3.015 . 0 0 "[ . 1 .]" 1
481 1 39 GLU HG3 1 40 ALA HA 3.600 . 5.200 4.173 3.570 5.180 . 0 0 "[ . 1 .]" 1
482 1 39 GLU HG2 1 40 ALA HA 4.300 . 6.000 4.911 3.560 5.697 . 0 0 "[ . 1 .]" 1
483 1 27 LEU HB3 1 40 ALA HA 4.000 . 6.000 4.551 4.118 5.241 . 0 0 "[ . 1 .]" 1
484 1 27 LEU QD 1 40 ALA HA 3.200 . 4.500 4.113 3.803 4.308 . 0 0 "[ . 1 .]" 1
485 1 37 ILE MG 1 40 ALA HA 3.300 . 4.700 3.513 3.331 3.769 . 0 0 "[ . 1 .]" 1
486 1 40 ALA HA 1 40 ALA MB 2.300 . 3.000 2.128 2.119 2.139 . 0 0 "[ . 1 .]" 1
487 1 40 ALA HA 1 41 VAL QG 3.400 . 4.600 3.382 3.179 3.652 . 0 0 "[ . 1 .]" 1
488 1 18 LEU QD 1 40 ALA MB 2.700 . 6.000 5.620 5.494 5.788 . 0 0 "[ . 1 .]" 1
489 1 27 LEU QD 1 40 ALA MB 2.500 . 3.300 3.210 2.986 3.376 0.076 9 0 "[ . 1 .]" 1
490 1 28 HIS HA 1 40 ALA MB 2.400 . 3.100 2.754 2.431 3.043 . 0 0 "[ . 1 .]" 1
491 1 24 ASP HB3 1 41 VAL HA 3.100 . 4.300 2.902 2.021 3.481 . 0 0 "[ . 1 .]" 1
492 1 24 ASP HB2 1 41 VAL HA 4.100 . 6.000 4.425 3.723 4.935 . 0 0 "[ . 1 .]" 1
493 1 41 VAL HA 1 41 VAL HB 2.300 . 3.000 2.484 2.372 3.014 0.014 10 0 "[ . 1 .]" 1
494 1 41 VAL HA 1 41 VAL QG 2.400 . 3.100 2.290 2.113 2.415 . 0 0 "[ . 1 .]" 1
495 1 41 VAL HA 1 42 VAL HB 4.500 . 6.000 4.568 4.465 4.720 . 0 0 "[ . 1 .]" 1
496 1 41 VAL HA 1 42 VAL MG2 3.800 . 5.600 3.748 3.523 4.078 . 0 0 "[ . 1 .]" 1
497 1 41 VAL HB 1 41 VAL QG 2.000 . 2.500 1.893 1.888 1.898 . 0 0 "[ . 1 .]" 1
498 1 41 VAL HB 1 43 ILE MD 3.700 . 5.400 4.267 3.304 5.220 . 0 0 "[ . 1 .]" 1
499 1 41 VAL QG 2 6 G H1' 3.800 . 5.600 5.046 3.633 5.654 0.054 6 0 "[ . 1 .]" 1
500 1 24 ASP HB3 1 41 VAL QG 3.600 . 5.200 4.136 3.539 4.716 . 0 0 "[ . 1 .]" 1
501 1 24 ASP HB2 1 41 VAL QG 2.400 . 6.000 5.179 4.625 5.649 . 0 0 "[ . 1 .]" 1
502 1 39 GLU HG3 1 41 VAL QG 2.500 . 3.300 2.970 2.010 3.896 0.596 14 2 "[ . - 1 +.]" 1
503 1 39 GLU HG2 1 41 VAL QG 2.800 . 3.800 3.143 1.894 3.915 0.115 15 0 "[ . 1 .]" 1
504 1 41 VAL QG 1 56 PHE HA 3.800 . 5.600 4.201 3.761 4.920 . 0 0 "[ . 1 .]" 1
505 1 41 VAL QG 1 56 PHE QD 3.100 . 4.300 3.125 2.443 3.776 . 0 0 "[ . 1 .]" 1
506 1 42 VAL HA 1 55 GLY HA2 2.500 . 3.300 2.257 1.963 2.547 . 0 0 "[ . 1 .]" 1
507 1 41 VAL QG 1 42 VAL HA 3.200 . 4.500 3.675 3.229 4.409 . 0 0 "[ . 1 .]" 1
508 1 42 VAL HA 1 43 ILE MD 4.200 . 6.000 4.142 3.653 4.395 . 0 0 "[ . 1 .]" 1
509 1 41 VAL QG 1 42 VAL HB 4.000 . 6.000 4.618 4.127 5.270 . 0 0 "[ . 1 .]" 1
510 1 42 VAL HA 1 42 VAL HB 2.600 . 3.500 3.028 3.020 3.037 . 0 0 "[ . 1 .]" 1
511 1 42 VAL MG1 1 55 GLY HA3 3.500 . 5.000 3.496 2.725 4.037 . 0 0 "[ . 1 .]" 1
512 1 22 THR HB 1 42 VAL MG1 3.400 . 4.900 4.269 2.911 4.998 0.098 9 0 "[ . 1 .]" 1
513 1 42 VAL HA 1 42 VAL MG1 2.400 . 3.100 2.456 2.341 2.541 . 0 0 "[ . 1 .]" 1
514 1 42 VAL HB 1 42 VAL MG1 2.100 . 2.700 2.132 2.127 2.138 . 0 0 "[ . 1 .]" 1
515 1 42 VAL MG1 1 42 VAL MG2 2.100 . 2.700 2.083 2.071 2.094 . 0 0 "[ . 1 .]" 1
516 1 42 VAL MG1 1 43 ILE HA 3.200 . 4.500 4.035 3.816 4.192 . 0 0 "[ . 1 .]" 1
517 1 42 VAL MG1 1 51 SER HB3 3.000 . 4.100 3.838 2.427 4.963 0.863 9 2 "[ - +1 .]" 1
518 1 24 ASP HB3 1 42 VAL MG2 3.600 . 5.200 3.809 3.386 4.066 . 0 0 "[ . 1 .]" 1
519 1 24 ASP HB2 1 42 VAL MG2 3.200 . 4.500 4.338 4.116 4.611 0.111 14 0 "[ . 1 .]" 1
520 1 25 LYS HG2 1 42 VAL MG2 2.100 . 6.000 5.743 5.417 6.065 0.065 2 0 "[ . 1 .]" 1
521 1 27 LEU HB3 1 42 VAL MG2 3.300 . 4.600 4.443 3.033 5.059 0.459 9 0 "[ . 1 .]" 1
522 1 40 ALA MB 1 42 VAL MG2 2.900 . 6.000 4.296 3.922 4.574 . 0 0 "[ . 1 .]" 1
523 1 42 VAL HA 1 42 VAL MG2 2.300 . 2.900 2.351 2.274 2.482 . 0 0 "[ . 1 .]" 1
524 1 42 VAL HB 1 42 VAL MG2 2.100 . 2.700 2.127 2.123 2.133 . 0 0 "[ . 1 .]" 1
525 1 43 ILE HA 1 43 ILE HB 2.800 . 3.800 3.023 3.015 3.035 . 0 0 "[ . 1 .]" 1
526 1 43 ILE HA 1 43 ILE HG12 3.200 . 4.500 3.146 2.999 3.257 . 0 0 "[ . 1 .]" 1
527 1 43 ILE HA 1 43 ILE MG 2.300 . 2.900 2.402 2.322 2.490 . 0 0 "[ . 1 .]" 1
528 1 43 ILE HB 1 43 ILE MD 3.500 . 5.000 3.230 3.212 3.244 . 0 0 "[ . 1 .]" 1
529 1 43 ILE HB 1 43 ILE HG13 2.700 . 3.600 2.488 2.451 2.518 . 0 0 "[ . 1 .]" 1
530 1 43 ILE HB 1 43 ILE HG12 2.600 . 3.500 2.417 2.390 2.449 . 0 0 "[ . 1 .]" 1
531 1 43 ILE HB 1 43 ILE MG 2.200 . 2.800 2.128 2.123 2.134 . 0 0 "[ . 1 .]" 1
532 1 43 ILE HB 1 54 TYR QE 4.500 . 6.000 5.819 5.416 6.062 0.062 9 0 "[ . 1 .]" 1
533 1 43 ILE MD 2 6 G H1' 2.300 . 3.000 2.452 1.900 3.025 0.025 11 0 "[ . 1 .]" 1
534 1 43 ILE MD 2 6 G H4' 3.600 . 5.200 4.193 2.696 4.936 . 0 0 "[ . 1 .]" 1
535 1 43 ILE HA 1 43 ILE MD 2.200 . 2.800 1.964 1.860 2.081 . 0 0 "[ . 1 .]" 1
536 1 43 ILE MD 1 43 ILE HG13 2.400 . 3.100 2.121 2.116 2.127 . 0 0 "[ . 1 .]" 1
537 1 43 ILE MD 1 56 PHE QD 2.800 . 3.800 2.023 1.739 2.877 0.061 6 0 "[ . 1 .]" 1
538 1 43 ILE MD 1 56 PHE QE 3.600 . 5.200 2.898 2.395 4.063 . 0 0 "[ . 1 .]" 1
539 1 43 ILE MG 1 49 GLN QG 3.500 . 6.000 5.942 5.572 6.291 0.291 7 0 "[ . 1 .]" 1
540 1 43 ILE MG 1 54 TYR HB2 3.900 . 5.800 3.547 2.981 4.164 . 0 0 "[ . 1 .]" 1
541 1 43 ILE MG 2 6 G H1' 3.400 . 4.800 3.530 3.131 4.045 . 0 0 "[ . 1 .]" 1
542 1 43 ILE HG13 1 43 ILE MG 2.500 . 3.300 2.303 2.243 2.383 . 0 0 "[ . 1 .]" 1
543 1 43 ILE HG12 1 43 ILE MG 2.700 . 3.600 3.195 3.185 3.211 . 0 0 "[ . 1 .]" 1
544 1 43 ILE MG 1 52 ARG QD 2.900 . 3.900 2.263 1.842 2.712 0.058 14 0 "[ . 1 .]" 1
545 1 43 ILE MG 1 52 ARG HG3 3.500 . 5.000 4.030 2.849 4.673 . 0 0 "[ . 1 .]" 1
546 1 43 ILE MG 1 52 ARG HG2 3.800 . 5.600 4.699 4.128 5.226 . 0 0 "[ . 1 .]" 1
547 1 43 ILE MG 1 54 TYR QE 3.600 . 5.200 5.210 4.803 5.420 0.220 10 0 "[ . 1 .]" 1
548 1 44 THR HA 1 49 GLN HA 4.200 . 6.000 3.963 3.501 4.456 . 0 0 "[ . 1 .]" 1
549 1 44 THR HA 1 51 SER HB3 3.900 . 5.800 5.334 4.455 6.165 0.365 9 0 "[ . 1 .]" 1
550 1 44 THR HA 1 52 ARG HG3 2.900 . 3.900 2.687 2.042 3.121 . 0 0 "[ . 1 .]" 1
551 1 44 THR HA 1 52 ARG HG2 4.200 . 6.000 4.293 3.111 4.804 . 0 0 "[ . 1 .]" 1
552 1 44 THR HB 1 49 GLN QG 4.000 . 6.000 3.026 1.892 3.964 0.108 7 0 "[ . 1 .]" 1
553 1 44 THR HB 1 51 SER HA 3.100 . 4.300 3.838 3.056 4.244 . 0 0 "[ . 1 .]" 1
554 1 44 THR HB 1 51 SER HB3 4.200 . 6.000 6.025 4.331 6.948 0.948 9 2 "[ -. +1 .]" 1
555 1 44 THR HA 1 44 THR MG 2.200 . 2.800 2.293 2.242 2.371 . 0 0 "[ . 1 .]" 1
556 1 44 THR HB 1 44 THR MG 2.000 . 2.500 2.133 2.128 2.138 . 0 0 "[ . 1 .]" 1
557 1 44 THR MG 1 49 GLN HA 3.400 . 4.800 3.809 3.252 4.358 . 0 0 "[ . 1 .]" 1
558 1 44 THR MG 1 51 SER HA 2.100 . 2.700 2.055 1.665 2.635 . 0 0 "[ . 1 .]" 1
559 1 44 THR MG 1 51 SER HB3 3.300 . 4.700 3.816 2.554 4.646 . 0 0 "[ . 1 .]" 1
560 1 45 ASP HA 1 45 ASP HB3 2.600 . 3.400 3.020 3.002 3.042 . 0 0 "[ . 1 .]" 1
561 1 45 ASP HB3 1 52 ARG QD 4.800 . 6.000 4.861 4.016 5.731 . 0 0 "[ . 1 .]" 1
562 1 45 ASP HA 1 45 ASP HB2 2.500 . 3.300 2.426 2.343 2.515 . 0 0 "[ . 1 .]" 1
563 1 46 ARG HA 1 46 ARG QB 2.200 . 2.800 2.290 2.156 2.426 . 0 0 "[ . 1 .]" 1
564 1 46 ARG HA 1 46 ARG QD 3.200 . 4.500 3.845 2.182 4.554 0.054 4 0 "[ . 1 .]" 1
565 1 46 ARG QB 1 46 ARG QD 2.400 . 3.100 2.375 2.091 2.896 . 0 0 "[ . 1 .]" 1
566 1 46 ARG QD 1 46 ARG QG 2.100 . 2.600 2.026 1.977 2.093 . 0 0 "[ . 1 .]" 1
567 1 46 ARG HA 1 46 ARG QG 2.500 . 3.300 2.839 2.355 3.335 0.035 9 0 "[ . 1 .]" 1
568 1 46 ARG QB 1 46 ARG QG 1.700 . 2.200 2.055 1.975 2.094 . 0 0 "[ . 1 .]" 1
569 1 47 ASN HB3 1 48 THR MG 3.200 . 4.400 2.995 2.718 3.432 . 0 0 "[ . 1 .]" 1
570 1 48 THR HA 1 48 THR HB 2.000 . 2.500 2.515 2.469 2.561 0.061 7 0 "[ . 1 .]" 1
571 1 48 THR HB 1 50 LYS HB2 4.600 . 6.000 4.573 3.687 5.811 . 0 0 "[ . 1 .]" 1
572 1 48 THR HB 1 50 LYS QD 3.600 . 5.200 3.616 2.794 4.143 . 0 0 "[ . 1 .]" 1
573 1 48 THR HB 1 50 LYS HE3 4.000 . 6.000 4.121 2.355 6.174 0.174 3 0 "[ . 1 .]" 1
574 1 48 THR HB 1 50 LYS QG 2.800 . 3.800 2.360 1.990 3.152 . 0 0 "[ . 1 .]" 1
575 1 48 THR HA 1 48 THR MG 2.100 . 2.600 2.313 2.265 2.383 . 0 0 "[ . 1 .]" 1
576 1 48 THR HB 1 48 THR MG 1.900 . 2.400 2.132 2.121 2.138 . 0 0 "[ . 1 .]" 1
577 1 44 THR HB 1 49 GLN HA 2.200 . 2.800 2.162 1.567 2.773 0.033 5 0 "[ . 1 .]" 1
578 1 45 ASP HB3 1 49 GLN HA 3.500 . 5.000 2.757 2.226 3.497 . 0 0 "[ . 1 .]" 1
579 1 49 GLN HA 1 49 GLN QB 2.300 . 2.900 2.410 2.388 2.427 . 0 0 "[ . 1 .]" 1
580 1 49 GLN HA 1 49 GLN QG 2.200 . 2.800 2.260 2.201 2.335 . 0 0 "[ . 1 .]" 1
581 1 44 THR HB 1 49 GLN QB 3.400 . 4.800 2.627 1.996 3.110 0.004 7 0 "[ . 1 .]" 1
582 1 44 THR MG 1 49 GLN QB 3.900 . 5.800 3.222 2.561 3.865 . 0 0 "[ . 1 .]" 1
583 1 45 ASP HB3 1 49 GLN QB 3.600 . 5.200 4.533 4.143 5.287 0.087 5 0 "[ . 1 .]" 1
584 1 49 GLN QB 1 49 GLN QG 2.000 . 2.500 2.083 2.075 2.089 . 0 0 "[ . 1 .]" 1
585 1 46 ARG HA 1 49 GLN QG 3.100 . 4.300 3.460 2.855 4.019 . 0 0 "[ . 1 .]" 1
586 1 48 THR HA 1 49 GLN HG3 3.200 . 4.500 4.548 4.426 4.634 0.134 11 0 "[ . 1 .]" 1
587 1 44 THR MG 1 50 LYS HA 3.700 . 5.400 4.347 3.524 5.404 0.004 11 0 "[ . 1 .]" 1
588 1 50 LYS HA 1 50 LYS HB3 2.300 . 3.000 2.471 2.392 2.538 . 0 0 "[ . 1 .]" 1
589 1 50 LYS HA 1 50 LYS HB2 2.600 . 3.500 3.025 3.006 3.039 . 0 0 "[ . 1 .]" 1
590 1 50 LYS HA 1 50 LYS QD 3.500 . 5.000 3.784 2.211 4.145 . 0 0 "[ . 1 .]" 1
591 1 50 LYS HA 1 50 LYS QG 2.700 . 3.600 2.539 2.286 3.159 . 0 0 "[ . 1 .]" 1
592 1 50 LYS HB3 1 50 LYS HE3 4.000 . 6.000 3.841 2.822 4.898 . 0 0 "[ . 1 .]" 1
593 1 50 LYS HB3 1 50 LYS QG 2.600 . 3.400 2.351 2.309 2.429 . 0 0 "[ . 1 .]" 1
594 1 50 LYS HB2 1 50 LYS HE3 3.700 . 5.400 3.372 1.968 4.714 0.032 3 0 "[ . 1 .]" 1
595 1 50 LYS HB2 1 50 LYS QG 2.600 . 3.400 2.312 2.169 2.392 . 0 0 "[ . 1 .]" 1
596 1 50 LYS HB2 1 50 LYS QD 2.800 . 3.800 2.809 2.308 3.444 . 0 0 "[ . 1 .]" 1
597 1 50 LYS QD 1 50 LYS HE3 2.600 . 3.500 2.284 2.164 2.384 . 0 0 "[ . 1 .]" 1
598 1 50 LYS QD 1 50 LYS HE2 2.600 . 3.400 2.355 2.168 2.444 . 0 0 "[ . 1 .]" 1
599 1 50 LYS QD 1 50 LYS QG 2.000 . 2.500 2.041 2.001 2.094 . 0 0 "[ . 1 .]" 1
600 1 50 LYS QE 1 50 LYS QG 2.800 . 3.800 2.308 2.095 2.663 . 0 0 "[ . 1 .]" 1
601 1 42 VAL MG1 1 51 SER HA 3.300 . 4.600 3.571 2.758 4.456 . 0 0 "[ . 1 .]" 1
602 1 20 TYR HB2 1 51 SER QB 3.700 . 5.500 4.773 4.169 5.306 . 0 0 "[ . 1 .]" 1
603 1 20 TYR HB3 1 51 SER HB3 3.200 . 6.000 4.526 3.608 5.826 . 0 0 "[ . 1 .]" 1
604 1 20 TYR QD 1 51 SER HB3 3.400 . 4.800 3.765 2.191 4.909 0.109 14 0 "[ . 1 .]" 1
605 1 20 TYR HB3 1 51 SER HB2 3.200 . 4.500 3.953 2.923 4.817 0.317 4 0 "[ . 1 .]" 1
606 1 20 TYR QD 1 52 ARG HA 4.300 . 6.000 4.906 3.896 5.580 . 0 0 "[ . 1 .]" 1
607 1 20 TYR QE 1 52 ARG HA 3.400 . 4.800 4.143 3.410 4.829 0.029 7 0 "[ . 1 .]" 1
608 1 52 ARG HA 1 52 ARG QD 4.500 . 6.000 4.087 3.878 4.281 . 0 0 "[ . 1 .]" 1
609 1 52 ARG HA 1 54 TYR QD 5.200 . 6.000 4.758 4.223 5.189 . 0 0 "[ . 1 .]" 1
610 1 43 ILE HG13 1 52 ARG QD 4.100 . 6.000 5.216 4.564 5.770 . 0 0 "[ . 1 .]" 1
611 1 52 ARG QD 1 54 TYR HB3 4.100 . 6.000 5.687 4.954 6.237 0.237 8 0 "[ . 1 .]" 1
612 1 49 GLN QG 1 52 ARG QD 2.900 . 6.000 5.818 5.424 5.981 . 0 0 "[ . 1 .]" 1
613 1 52 ARG QD 1 54 TYR QE 3.900 . 5.800 3.908 3.390 4.880 . 0 0 "[ . 1 .]" 1
614 1 20 TYR QD 1 53 GLY HA3 3.900 . 5.800 4.789 4.138 5.588 . 0 0 "[ . 1 .]" 1
615 1 20 TYR QE 1 53 GLY HA3 3.500 . 5.000 4.445 3.503 5.098 0.098 2 0 "[ . 1 .]" 1
616 1 20 TYR QD 1 53 GLY HA2 4.200 . 6.000 4.728 3.808 5.553 . 0 0 "[ . 1 .]" 1
617 1 20 TYR QE 1 53 GLY HA2 3.600 . 5.300 5.180 4.208 6.018 0.718 1 1 "[+ . 1 .]" 1
618 1 16 GLY HA3 1 54 TYR HA 4.400 . 6.000 3.511 1.837 4.605 0.163 9 0 "[ . 1 .]" 1
619 1 16 GLY HA2 1 54 TYR HA 2.900 . 3.900 2.406 1.957 2.929 . 0 0 "[ . 1 .]" 1
620 1 18 LEU HB3 1 54 TYR HA 3.300 . 6.000 5.848 5.446 6.129 0.129 14 0 "[ . 1 .]" 1
621 1 18 LEU HB2 1 54 TYR HA 3.600 . 5.200 4.192 3.781 4.454 . 0 0 "[ . 1 .]" 1
622 1 18 LEU HG 1 54 TYR HA 3.700 . 5.400 5.373 4.936 5.671 0.271 11 0 "[ . 1 .]" 1
623 1 54 TYR HA 1 54 TYR HB3 2.700 . 3.600 2.412 2.372 2.500 . 0 0 "[ . 1 .]" 1
624 1 54 TYR HB3 2 4 G H1' 4.300 . 6.000 4.748 3.964 5.385 . 0 0 "[ . 1 .]" 1
625 1 54 TYR HB3 1 54 TYR QD 3.600 . 5.200 2.638 2.428 2.762 . 0 0 "[ . 1 .]" 1
626 1 52 ARG QD 1 54 TYR HB2 4.400 . 6.000 4.241 3.509 4.826 . 0 0 "[ . 1 .]" 1
627 1 54 TYR HB2 2 4 G H1' 4.900 . 6.000 5.688 4.877 6.073 0.073 2 0 "[ . 1 .]" 1
628 1 15 VAL MG1 1 55 GLY HA3 3.200 . 6.000 4.443 3.432 5.184 . 0 0 "[ . 1 .]" 1
629 1 27 LEU QD 1 55 GLY HA3 3.300 . 4.600 2.501 2.033 2.989 . 0 0 "[ . 1 .]" 1
630 1 41 VAL QG 1 55 GLY HA3 4.200 . 6.000 4.504 3.520 4.947 . 0 0 "[ . 1 .]" 1
631 1 42 VAL HA 1 55 GLY HA3 2.800 . 3.800 2.481 1.888 3.425 . 0 0 "[ . 1 .]" 1
632 1 43 ILE HG12 1 55 GLY HA3 4.500 . 6.000 4.090 3.512 5.103 . 0 0 "[ . 1 .]" 1
633 1 27 LEU QD 1 55 GLY HA2 4.300 . 6.000 3.764 2.973 4.319 . 0 0 "[ . 1 .]" 1
634 1 41 VAL QG 1 55 GLY HA2 3.500 . 5.100 3.868 3.148 4.334 . 0 0 "[ . 1 .]" 1
635 1 43 ILE MD 1 55 GLY HA2 4.300 . 6.000 3.683 3.022 4.605 . 0 0 "[ . 1 .]" 1
636 1 43 ILE HG13 1 55 GLY HA2 4.600 . 6.000 3.984 3.340 4.978 . 0 0 "[ . 1 .]" 1
637 1 14 PHE HA 1 56 PHE HA 3.000 . 4.100 2.864 2.481 3.130 . 0 0 "[ . 1 .]" 1
638 1 15 VAL MG1 1 56 PHE HA 3.300 . 6.000 5.381 4.863 5.849 . 0 0 "[ . 1 .]" 1
639 1 56 PHE HA 1 56 PHE HB3 2.700 . 3.600 2.560 2.494 2.604 . 0 0 "[ . 1 .]" 1
640 1 56 PHE HA 1 56 PHE QD 3.300 . 4.700 2.769 2.565 3.085 . 0 0 "[ . 1 .]" 1
641 1 41 VAL QG 1 56 PHE HB3 3.900 . 5.800 3.243 2.851 3.962 . 0 0 "[ . 1 .]" 1
642 1 56 PHE HB3 1 56 PHE QD 3.000 . 4.100 2.443 2.295 2.519 . 0 0 "[ . 1 .]" 1
643 1 56 PHE HB3 1 56 PHE QE 4.700 . 6.000 4.414 4.364 4.439 . 0 0 "[ . 1 .]" 1
644 1 41 VAL QG 1 56 PHE HB2 2.800 . 3.800 2.154 1.792 3.018 0.008 3 0 "[ . 1 .]" 1
645 1 56 PHE HB2 1 56 PHE QD 3.000 . 4.100 2.331 2.275 2.469 . 0 0 "[ . 1 .]" 1
646 1 12 LYS HE2 1 56 PHE QD 3.800 . 5.600 4.392 2.705 5.629 0.029 2 0 "[ . 1 .]" 1
647 1 14 PHE QD 1 56 PHE QD 3.000 . 4.200 3.429 3.102 3.664 . 0 0 "[ . 1 .]" 1
648 1 56 PHE QD 1 86 ALA MB 3.400 . 4.800 2.919 2.243 3.530 . 0 0 "[ . 1 .]" 1
649 1 56 PHE QE 2 5 U H1' 3.500 . 5.000 3.212 2.767 3.566 . 0 0 "[ . 1 .]" 1
650 1 14 PHE QD 1 56 PHE QE 3.400 . 4.800 2.403 1.765 2.925 0.235 4 0 "[ . 1 .]" 1
651 1 56 PHE HZ 2 5 U H1' 2.700 . 3.600 2.398 1.805 3.111 . 0 0 "[ . 1 .]" 1
652 1 56 PHE HZ 2 5 U H6 4.200 . 6.000 5.501 4.945 6.015 0.015 11 0 "[ . 1 .]" 1
653 1 56 PHE HZ 2 6 G H8 3.700 . 5.400 3.527 3.085 4.095 . 0 0 "[ . 1 .]" 1
654 1 14 PHE QE 1 56 PHE HZ 3.800 . 5.600 3.348 2.856 3.657 . 0 0 "[ . 1 .]" 1
655 1 37 ILE MG 1 57 VAL HA 4.000 . 6.000 3.820 3.556 4.124 . 0 0 "[ . 1 .]" 1
656 1 40 ALA HA 1 57 VAL HA 2.300 . 3.000 2.512 2.101 2.946 . 0 0 "[ . 1 .]" 1
657 1 40 ALA MB 1 57 VAL HA 3.500 . 5.000 3.637 2.992 4.023 . 0 0 "[ . 1 .]" 1
658 1 57 VAL HA 1 57 VAL MG1 2.500 . 3.300 2.497 2.447 2.563 . 0 0 "[ . 1 .]" 1
659 1 57 VAL HA 1 57 VAL MG2 2.500 . 3.300 2.325 2.273 2.364 . 0 0 "[ . 1 .]" 1
660 1 13 ILE HB 1 57 VAL HB 2.500 . 3.300 2.389 2.133 2.780 . 0 0 "[ . 1 .]" 1
661 1 13 ILE MG 1 57 VAL HB 3.200 . 4.400 3.310 2.697 3.762 . 0 0 "[ . 1 .]" 1
662 1 56 PHE HA 1 57 VAL HB 4.400 . 6.000 4.456 4.389 4.556 . 0 0 "[ . 1 .]" 1
663 1 56 PHE QD 1 57 VAL HB 4.400 . 6.000 6.081 6.022 6.172 0.172 13 0 "[ . 1 .]" 1
664 1 57 VAL HB 1 57 VAL MG1 2.300 . 3.000 2.138 2.132 2.147 . 0 0 "[ . 1 .]" 1
665 1 31 PHE HB2 1 57 VAL MG1 2.900 . 3.900 2.868 2.524 3.236 . 0 0 "[ . 1 .]" 1
666 1 31 PHE QD 1 57 VAL MG1 2.800 . 3.800 2.509 2.297 2.857 . 0 0 "[ . 1 .]" 1
667 1 40 ALA HA 1 57 VAL MG1 2.900 . 4.000 3.551 3.041 4.060 0.060 8 0 "[ . 1 .]" 1
668 1 31 PHE HB3 1 57 VAL MG1 2.800 . 3.800 2.539 2.293 2.919 . 0 0 "[ . 1 .]" 1
669 1 13 ILE HB 1 57 VAL MG2 3.900 . 5.800 3.980 3.768 4.266 . 0 0 "[ . 1 .]" 1
670 1 13 ILE MG 1 57 VAL MG2 2.600 . 6.000 4.002 3.478 4.421 . 0 0 "[ . 1 .]" 1
671 1 15 VAL HB 1 57 VAL MG2 2.800 . 3.800 3.661 3.292 4.042 0.242 4 0 "[ . 1 .]" 1
672 1 31 PHE QD 1 57 VAL MG2 3.000 . 4.100 3.029 2.777 3.313 . 0 0 "[ . 1 .]" 1
673 1 31 PHE QE 1 57 VAL MG2 3.500 . 5.000 3.229 2.628 3.763 . 0 0 "[ . 1 .]" 1
674 1 37 ILE MD 1 57 VAL MG2 2.100 . 6.000 3.452 2.995 3.957 . 0 0 "[ . 1 .]" 1
675 1 37 ILE QG 1 57 VAL MG2 3.500 . 6.000 4.671 4.321 5.137 . 0 0 "[ . 1 .]" 1
676 1 40 ALA HA 1 57 VAL MG2 2.600 . 3.500 2.930 2.510 3.398 . 0 0 "[ . 1 .]" 1
677 1 40 ALA MB 1 57 VAL MG2 2.400 . 3.100 2.654 1.981 3.168 0.068 9 0 "[ . 1 .]" 1
678 1 56 PHE HA 1 57 VAL MG2 3.900 . 5.800 3.801 3.695 3.931 . 0 0 "[ . 1 .]" 1
679 1 57 VAL HB 1 57 VAL MG2 2.200 . 2.800 2.127 2.121 2.132 . 0 0 "[ . 1 .]" 1
680 1 57 VAL MG1 1 57 VAL MG2 2.000 . 2.500 2.077 2.069 2.084 . 0 0 "[ . 1 .]" 1
681 1 57 VAL MG2 1 59 MET ME 3.700 . 5.400 5.328 5.129 5.443 0.043 14 0 "[ . 1 .]" 1
682 1 12 LYS HB3 1 58 THR HA 3.000 . 6.000 5.338 4.368 5.673 . 0 0 "[ . 1 .]" 1
683 1 12 LYS HB2 1 58 THR HA 4.100 . 6.000 4.397 3.282 4.915 . 0 0 "[ . 1 .]" 1
684 1 12 LYS HG3 1 58 THR HA 4.100 . 6.000 4.392 2.986 5.557 . 0 0 "[ . 1 .]" 1
685 1 12 LYS HG2 1 58 THR HA 4.400 . 6.000 5.266 2.378 6.060 0.060 10 0 "[ . 1 .]" 1
686 1 57 VAL MG1 1 58 THR HA 3.600 . 5.200 3.632 3.484 3.992 . 0 0 "[ . 1 .]" 1
687 1 39 GLU HB3 1 58 THR HB 2.600 . 3.400 2.463 1.790 2.991 0.010 9 0 "[ . 1 .]" 1
688 1 39 GLU HB2 1 58 THR HB 3.600 . 5.300 3.826 2.938 4.399 . 0 0 "[ . 1 .]" 1
689 1 39 GLU HG2 1 58 THR HB 4.200 . 6.000 4.555 3.721 5.093 . 0 0 "[ . 1 .]" 1
690 1 57 VAL MG1 1 58 THR HB 4.200 . 6.000 4.779 4.544 4.982 . 0 0 "[ . 1 .]" 1
691 1 58 THR HA 1 58 THR HB 2.900 . 3.900 3.030 3.021 3.036 . 0 0 "[ . 1 .]" 1
692 1 58 THR HA 1 58 THR MG 2.300 . 3.000 2.329 2.284 2.374 . 0 0 "[ . 1 .]" 1
693 1 58 THR HB 1 58 THR MG 2.100 . 2.600 2.136 2.130 2.142 . 0 0 "[ . 1 .]" 1
694 1 37 ILE QG 1 59 MET HA 4.600 . 6.000 3.777 3.128 4.134 . 0 0 "[ . 1 .]" 1
695 1 57 VAL MG1 1 59 MET HA 3.900 . 5.800 3.671 3.453 3.825 . 0 0 "[ . 1 .]" 1
696 1 59 MET HA 1 59 MET HG3 3.200 . 4.500 3.601 3.221 3.876 . 0 0 "[ . 1 .]" 1
697 1 13 ILE MD 1 59 MET HB3 4.000 . 6.000 4.537 4.105 4.850 . 0 0 "[ . 1 .]" 1
698 1 59 MET HA 1 59 MET HB3 2.400 . 3.100 2.431 2.393 2.478 . 0 0 "[ . 1 .]" 1
699 1 59 MET HB3 1 59 MET HG3 2.500 . 3.300 2.706 2.400 3.014 . 0 0 "[ . 1 .]" 1
700 1 59 MET HB3 1 65 ALA MB 3.700 . 5.400 3.842 3.484 4.240 . 0 0 "[ . 1 .]" 1
701 1 59 MET HB3 1 68 ALA MB 4.100 . 6.000 5.405 4.942 5.869 . 0 0 "[ . 1 .]" 1
702 1 57 VAL MG1 1 59 MET HB2 4.400 . 6.000 4.612 4.206 4.997 . 0 0 "[ . 1 .]" 1
703 1 59 MET HB2 1 59 MET HG3 2.300 . 2.900 2.373 2.303 2.440 . 0 0 "[ . 1 .]" 1
704 1 59 MET HB2 1 64 SER HB3 4.700 . 6.000 4.876 4.351 5.347 . 0 0 "[ . 1 .]" 1
705 1 59 MET HB2 1 68 ALA MB 4.400 . 6.000 5.361 4.973 5.689 . 0 0 "[ . 1 .]" 1
706 1 59 MET ME 1 64 SER HB2 2.500 . 3.300 2.567 2.321 3.295 . 0 0 "[ . 1 .]" 1
707 1 31 PHE QD 1 59 MET ME 3.400 . 4.800 3.665 2.863 4.184 . 0 0 "[ . 1 .]" 1
708 1 34 PHE HB3 1 59 MET ME 3.100 . 4.300 3.452 2.808 4.255 . 0 0 "[ . 1 .]" 1
709 1 34 PHE HB2 1 59 MET ME 2.500 . 3.300 2.416 1.822 3.049 . 0 0 "[ . 1 .]" 1
710 1 34 PHE QD 1 59 MET ME 3.400 . 4.900 3.606 3.038 4.065 . 0 0 "[ . 1 .]" 1
711 1 37 ILE MD 1 59 MET ME 2.700 . 3.600 3.489 3.179 3.692 0.092 15 0 "[ . 1 .]" 1
712 1 37 ILE QG 1 59 MET ME 2.800 . 3.300 2.269 2.017 2.429 . 0 0 "[ . 1 .]" 1
713 1 37 ILE MG 1 59 MET ME 3.800 . 5.600 3.757 3.209 4.202 . 0 0 "[ . 1 .]" 1
714 1 57 VAL MG1 1 59 MET ME 2.700 . 3.600 3.539 3.219 3.643 0.043 6 0 "[ . 1 .]" 1
715 1 59 MET HA 1 59 MET ME 3.000 . 4.100 3.309 2.693 3.802 . 0 0 "[ . 1 .]" 1
716 1 59 MET HB3 1 59 MET ME 2.100 . 2.700 2.058 1.857 2.230 . 0 0 "[ . 1 .]" 1
717 1 59 MET HB2 1 59 MET ME 3.300 . 4.700 3.383 3.076 3.583 . 0 0 "[ . 1 .]" 1
718 1 59 MET ME 1 64 SER HB3 2.200 . 2.800 2.189 1.982 2.827 0.027 15 0 "[ . 1 .]" 1
719 1 59 MET ME 1 65 ALA HA 2.800 . 3.800 3.836 3.632 3.944 0.144 8 0 "[ . 1 .]" 1
720 1 59 MET ME 1 65 ALA MB 3.800 . 5.600 4.334 4.085 4.526 . 0 0 "[ . 1 .]" 1
721 1 59 MET ME 1 68 ALA MB 2.800 . 3.800 3.349 2.821 3.857 0.057 8 0 "[ . 1 .]" 1
722 1 36 ASP HB3 1 60 LYS HB3 3.100 . 4.300 2.818 1.761 4.179 0.139 2 0 "[ . 1 .]" 1
723 1 36 ASP HB2 1 60 LYS HB3 2.500 . 3.300 2.407 2.005 3.298 . 0 0 "[ . 1 .]" 1
724 1 60 LYS HA 1 60 LYS HB3 2.600 . 3.400 2.971 2.668 3.029 . 0 0 "[ . 1 .]" 1
725 1 36 ASP HB3 1 60 LYS HB2 3.100 . 4.300 2.634 1.962 3.469 . 0 0 "[ . 1 .]" 1
726 1 36 ASP HB2 1 60 LYS HB2 3.200 . 4.500 3.066 2.230 3.998 . 0 0 "[ . 1 .]" 1
727 1 60 LYS HA 1 60 LYS HB2 2.200 . 2.800 2.599 2.453 2.936 0.136 11 0 "[ . 1 .]" 1
728 1 60 LYS HB2 1 60 LYS QG 2.500 . 3.300 2.356 2.270 2.467 . 0 0 "[ . 1 .]" 1
729 1 60 LYS HB2 1 61 ASP HB3 4.000 . 6.000 5.652 4.534 6.165 0.165 6 0 "[ . 1 .]" 1
730 1 36 ASP HB3 1 60 LYS QD 2.600 . 3.500 2.784 1.676 3.243 0.024 11 0 "[ . 1 .]" 1
731 1 60 LYS HA 1 60 LYS QG 2.400 . 3.100 2.373 2.136 2.696 . 0 0 "[ . 1 .]" 1
732 1 61 ASP HA 1 61 ASP HB2 2.300 . 3.000 2.451 2.251 2.608 . 0 0 "[ . 1 .]" 1
733 1 61 ASP HA 1 61 ASP HB3 2.300 . 3.000 2.978 2.545 3.029 0.029 8 0 "[ . 1 .]" 1
734 1 10 PHE HB3 1 62 ARG HB3 2.800 . 3.800 3.599 2.269 4.362 0.562 2 2 "[ + .- 1 .]" 1
735 1 10 PHE HB2 1 62 ARG QD 2.600 . 6.000 4.593 3.336 5.420 . 0 0 "[ . 1 .]" 1
736 1 10 PHE QD 1 62 ARG QD 3.200 . 6.000 4.355 2.565 5.547 . 0 0 "[ . 1 .]" 1
737 1 11 THR MG 1 62 ARG QD 4.100 . 6.000 4.399 3.132 5.176 . 0 0 "[ . 1 .]" 1
738 1 62 ARG HA 1 62 ARG QD 3.600 . 5.200 3.864 3.599 4.521 . 0 0 "[ . 1 .]" 1
739 1 62 ARG HB3 1 62 ARG QD 3.100 . 4.300 2.605 2.161 3.494 . 0 0 "[ . 1 .]" 1
740 1 62 ARG HD2 1 62 ARG QG 2.600 . 3.400 2.321 2.144 2.508 . 0 0 "[ . 1 .]" 1
741 1 10 PHE HB3 1 62 ARG QG 3.300 . 4.600 3.211 1.816 4.401 0.184 1 0 "[ . 1 .]" 1
742 1 62 ARG HA 1 62 ARG QG 3.300 . 3.800 3.119 2.546 3.518 . 0 0 "[ . 1 .]" 1
743 1 62 ARG HB3 1 62 ARG QG 2.600 . 3.400 2.395 2.135 2.524 . 0 0 "[ . 1 .]" 1
744 1 62 ARG QG 1 66 GLU HB2 4.000 . 6.000 4.817 4.034 5.790 . 0 0 "[ . 1 .]" 1
745 1 62 ARG QG 1 66 GLU HG3 3.300 . 4.600 3.725 2.623 4.359 . 0 0 "[ . 1 .]" 1
746 1 62 ARG QD 1 63 ALA MB 3.300 . 4.600 3.761 3.065 4.724 0.124 15 0 "[ . 1 .]" 1
747 1 63 ALA HA 1 63 ALA MB 1.900 . 2.400 2.127 2.114 2.134 . 0 0 "[ . 1 .]" 1
748 1 63 ALA MB 1 64 SER HA 3.500 . 5.000 3.898 3.832 3.985 . 0 0 "[ . 1 .]" 1
749 1 63 ALA MB 1 66 GLU HB2 3.300 . 4.600 4.049 3.743 4.507 . 0 0 "[ . 1 .]" 1
750 1 63 ALA MB 1 66 GLU HG3 4.300 . 6.000 4.524 3.916 5.059 . 0 0 "[ . 1 .]" 1
751 1 63 ALA MB 1 67 ARG HB3 4.100 . 6.000 6.295 5.647 6.766 0.766 14 5 "[ * . **- +.]" 1
752 1 63 ALA MB 1 67 ARG QG 2.900 . 6.000 4.109 3.601 5.709 . 0 0 "[ . 1 .]" 1
753 1 64 SER HA 1 64 SER HB3 2.400 . 3.100 2.424 2.385 2.460 . 0 0 "[ . 1 .]" 1
754 1 64 SER HA 1 64 SER HB2 3.000 . 4.100 3.028 3.021 3.034 . 0 0 "[ . 1 .]" 1
755 1 59 MET HB2 1 64 SER HB2 3.800 . 5.600 3.568 3.018 4.059 . 0 0 "[ . 1 .]" 1
756 1 13 ILE HG12 1 65 ALA HA 3.800 . 5.600 3.928 3.542 4.487 . 0 0 "[ . 1 .]" 1
757 1 59 MET HB3 1 65 ALA HA 3.100 . 4.300 4.317 3.987 4.485 0.185 8 0 "[ . 1 .]" 1
758 1 59 MET HB2 1 65 ALA HA 2.800 . 3.800 3.596 3.489 3.837 0.037 2 0 "[ . 1 .]" 1
759 1 59 MET HG3 1 65 ALA HA 2.900 . 4.000 2.731 2.032 3.665 . 0 0 "[ . 1 .]" 1
760 1 65 ALA HA 1 65 ALA MB 2.100 . 2.700 2.130 2.123 2.134 . 0 0 "[ . 1 .]" 1
761 1 65 ALA HA 1 68 ALA MB 2.500 . 3.300 2.814 2.548 3.053 . 0 0 "[ . 1 .]" 1
762 1 65 ALA MB 1 85 LEU QD 2.700 . 3.600 2.761 1.996 3.508 . 0 0 "[ . 1 .]" 1
763 1 59 MET HG3 1 65 ALA MB 2.700 . 3.600 3.125 2.781 3.598 . 0 0 "[ . 1 .]" 1
764 1 13 ILE HG12 1 65 ALA MB 3.400 . 4.800 3.668 3.081 4.298 . 0 0 "[ . 1 .]" 1
765 1 13 ILE MG 1 65 ALA MB 3.300 . 6.000 4.990 4.604 5.390 . 0 0 "[ . 1 .]" 1
766 1 59 MET HB2 1 65 ALA MB 2.500 . 3.300 2.516 2.201 2.967 . 0 0 "[ . 1 .]" 1
767 1 66 GLU HA 1 66 GLU HB3 2.300 . 3.000 2.565 2.384 2.803 . 0 0 "[ . 1 .]" 1
768 1 66 GLU HA 1 66 GLU HB2 2.400 . 3.100 2.994 2.896 3.026 . 0 0 "[ . 1 .]" 1
769 1 66 GLU HA 1 69 CYS HB3 2.900 . 3.900 2.846 2.392 3.184 . 0 0 "[ . 1 .]" 1
770 1 66 GLU HA 1 69 CYS HB2 3.300 . 4.600 3.795 2.965 4.282 . 0 0 "[ . 1 .]" 1
771 1 63 ALA HA 1 66 GLU HB2 2.500 . 3.300 2.709 2.215 3.184 . 0 0 "[ . 1 .]" 1
772 1 63 ALA HA 1 66 GLU HG2 3.000 . 4.200 3.935 2.567 4.433 0.233 13 0 "[ . 1 .]" 1
773 1 66 GLU HA 1 66 GLU HG2 2.900 . 4.000 2.586 2.184 3.006 . 0 0 "[ . 1 .]" 1
774 1 63 ALA HA 1 66 GLU HG3 3.300 . 4.600 3.073 2.253 3.640 . 0 0 "[ . 1 .]" 1
775 1 65 ALA MB 1 66 GLU HG3 3.800 . 5.600 4.553 3.366 5.076 . 0 0 "[ . 1 .]" 1
776 1 66 GLU HA 1 66 GLU HG3 2.700 . 3.600 3.594 3.154 3.741 0.141 1 0 "[ . 1 .]" 1
777 1 66 GLU HB2 1 66 GLU HG3 1.900 . 2.400 2.302 2.219 2.430 0.030 6 0 "[ . 1 .]" 1
778 1 67 ARG HA 1 67 ARG HB3 2.600 . 3.500 2.572 2.383 3.002 . 0 0 "[ . 1 .]" 1
779 1 67 ARG HA 1 67 ARG HB2 2.600 . 3.500 2.955 2.536 3.028 . 0 0 "[ . 1 .]" 1
780 1 34 PHE HB3 1 67 ARG HB3 3.400 . 4.900 3.123 2.041 4.417 . 0 0 "[ . 1 .]" 1
781 1 34 PHE QD 1 67 ARG HB3 3.200 . 4.500 2.808 2.063 3.973 . 0 0 "[ . 1 .]" 1
782 1 64 SER HA 1 67 ARG HB3 3.800 . 5.600 3.976 2.700 5.011 . 0 0 "[ . 1 .]" 1
783 1 67 ARG HB3 1 67 ARG HD2 3.200 . 4.500 3.118 2.305 4.228 . 0 0 "[ . 1 .]" 1
784 1 34 PHE QD 1 67 ARG HB2 3.500 . 5.000 3.593 2.846 5.143 0.143 13 0 "[ . 1 .]" 1
785 1 64 SER HA 1 67 ARG HB2 2.800 . 6.000 2.636 1.919 3.310 . 0 0 "[ . 1 .]" 1
786 1 67 ARG HB2 1 67 ARG HD2 3.100 . 4.300 3.311 2.399 4.094 . 0 0 "[ . 1 .]" 1
787 1 67 ARG HB2 1 67 ARG QG 2.400 . 3.100 2.286 2.156 2.452 . 0 0 "[ . 1 .]" 1
788 1 67 ARG HA 1 67 ARG HD3 3.500 . 5.000 3.774 1.908 4.690 0.092 13 0 "[ . 1 .]" 1
789 1 67 ARG HB3 1 67 ARG HD3 2.900 . 4.000 3.107 2.482 3.711 . 0 0 "[ . 1 .]" 1
790 1 67 ARG HB2 1 67 ARG HD3 2.800 . 3.800 3.284 2.369 4.224 0.424 8 0 "[ . 1 .]" 1
791 1 67 ARG HA 1 67 ARG HD2 3.900 . 5.800 4.042 2.100 4.911 . 0 0 "[ . 1 .]" 1
792 1 67 ARG HD2 1 67 ARG QG 2.400 . 3.100 2.283 2.145 2.404 . 0 0 "[ . 1 .]" 1
793 1 67 ARG HA 1 67 ARG QG 2.600 . 3.500 2.575 2.213 3.155 . 0 0 "[ . 1 .]" 1
794 1 34 PHE HB3 1 68 ALA HA 3.700 . 5.400 4.084 2.707 5.068 . 0 0 "[ . 1 .]" 1
795 1 34 PHE QD 1 68 ALA HA 3.300 . 4.700 3.456 2.789 4.185 . 0 0 "[ . 1 .]" 1
796 1 34 PHE QE 1 68 ALA HA 3.300 . 4.700 3.477 2.600 3.940 . 0 0 "[ . 1 .]" 1
797 1 13 ILE MG 1 68 ALA MB 2.500 . 3.300 3.188 2.535 3.516 0.216 15 0 "[ . 1 .]" 1
798 1 31 PHE QD 1 68 ALA MB 2.500 . 3.300 2.681 1.950 3.328 0.028 2 0 "[ . 1 .]" 1
799 1 34 PHE HB2 1 68 ALA MB 2.900 . 3.900 3.235 2.548 3.940 0.040 8 0 "[ . 1 .]" 1
800 1 34 PHE QD 1 68 ALA MB 2.800 . 3.800 3.205 2.766 3.713 . 0 0 "[ . 1 .]" 1
801 1 34 PHE QE 1 68 ALA MB 3.700 . 5.400 3.829 3.111 4.508 . 0 0 "[ . 1 .]" 1
802 1 67 ARG HB3 1 68 ALA MB 4.400 . 6.000 4.652 3.841 4.997 . 0 0 "[ . 1 .]" 1
803 1 68 ALA HA 1 68 ALA MB 2.100 . 2.700 2.126 2.118 2.132 . 0 0 "[ . 1 .]" 1
804 1 69 CYS HA 1 69 CYS HB3 2.800 . 3.800 3.024 3.015 3.032 . 0 0 "[ . 1 .]" 1
805 1 69 CYS HA 1 69 CYS HB2 2.500 . 3.300 2.465 2.403 2.497 . 0 0 "[ . 1 .]" 1
806 1 69 CYS HA 1 83 VAL HB 3.900 . 5.800 4.496 3.636 5.618 . 0 0 "[ . 1 .]" 1
807 1 69 CYS HA 1 83 VAL MG1 2.900 . 3.900 2.709 1.964 3.296 . 0 0 "[ . 1 .]" 1
808 1 69 CYS HB3 1 70 LYS HA 4.000 . 6.000 4.365 4.150 4.490 . 0 0 "[ . 1 .]" 1
809 1 69 CYS HB2 1 70 LYS HA 4.500 . 6.000 5.715 5.604 5.800 . 0 0 "[ . 1 .]" 1
810 1 70 LYS HA 1 70 LYS QB 2.500 . 3.000 2.324 2.160 2.484 . 0 0 "[ . 1 .]" 1
811 1 70 LYS HA 1 70 LYS HG3 3.200 . 4.500 3.556 3.192 3.741 . 0 0 "[ . 1 .]" 1
812 1 70 LYS HA 1 70 LYS HG2 3.300 . 4.600 3.536 2.787 4.254 . 0 0 "[ . 1 .]" 1
813 1 67 ARG HA 1 70 LYS QG 2.700 . 3.600 2.646 1.953 3.624 0.024 3 0 "[ . 1 .]" 1
814 1 67 ARG QG 1 70 LYS QG 1.800 . 6.000 4.059 3.360 4.669 . 0 0 "[ . 1 .]" 1
815 1 70 LYS HA 1 70 LYS QG 2.600 . 3.500 3.074 2.703 3.510 0.010 10 0 "[ . 1 .]" 1
816 1 70 LYS QB 1 70 LYS QG 2.300 . 3.000 1.992 1.972 2.018 . 0 0 "[ . 1 .]" 1
817 1 70 LYS QE 1 70 LYS QG 2.600 . 3.500 2.402 2.114 2.861 . 0 0 "[ . 1 .]" 1
818 1 71 ASP HA 1 71 ASP HB3 2.900 . 3.900 3.022 3.017 3.031 . 0 0 "[ . 1 .]" 1
819 1 71 ASP HA 1 71 ASP HB2 2.700 . 3.600 2.548 2.494 2.580 . 0 0 "[ . 1 .]" 1
820 1 71 ASP HA 1 72 PRO HD3 2.500 . 3.300 2.034 1.764 2.377 . 0 0 "[ . 1 .]" 1
821 1 72 PRO HA 1 72 PRO HB3 2.300 . 2.900 2.282 2.254 2.311 . 0 0 "[ . 1 .]" 1
822 1 72 PRO HA 1 72 PRO QG 3.700 . 5.400 3.383 3.126 3.534 . 0 0 "[ . 1 .]" 1
823 1 72 PRO HA 1 83 VAL HB 2.700 . 3.600 2.939 1.778 3.839 0.239 15 0 "[ . 1 .]" 1
824 1 72 PRO HA 1 83 VAL MG2 3.500 . 5.100 4.171 3.103 5.039 . 0 0 "[ . 1 .]" 1
825 1 72 PRO HB3 1 72 PRO HD3 3.000 . 4.100 3.573 3.034 4.040 . 0 0 "[ . 1 .]" 1
826 1 72 PRO HD3 1 72 PRO QG 2.500 . 3.300 2.192 2.172 2.227 . 0 0 "[ . 1 .]" 1
827 1 71 ASP HA 1 72 PRO HD2 2.200 . 2.800 2.498 2.089 2.752 . 0 0 "[ . 1 .]" 1
828 1 72 PRO HB3 1 72 PRO HD2 3.800 . 5.600 3.897 3.870 3.957 . 0 0 "[ . 1 .]" 1
829 1 72 PRO HD2 1 72 PRO QG 2.400 . 3.100 2.207 2.172 2.259 . 0 0 "[ . 1 .]" 1
830 1 71 ASP HA 1 72 PRO QG 4.300 . 6.000 3.832 3.645 4.015 . 0 0 "[ . 1 .]" 1
831 1 72 PRO HB2 1 72 PRO QG 2.300 . 3.000 2.197 2.171 2.231 . 0 0 "[ . 1 .]" 1
832 1 73 ASN HA 1 73 ASN HB3 2.700 . 3.600 2.462 2.327 2.650 . 0 0 "[ . 1 .]" 1
833 1 73 ASN HA 1 73 ASN HB2 2.800 . 3.800 2.821 2.482 3.030 . 0 0 "[ . 1 .]" 1
834 1 73 ASN HA 1 74 PRO HD3 2.900 . 3.900 2.698 2.257 3.514 . 0 0 "[ . 1 .]" 1
835 1 73 ASN HA 1 74 PRO HD2 2.400 . 3.100 2.525 2.125 2.888 . 0 0 "[ . 1 .]" 1
836 1 73 ASN HA 1 82 ASN HA 2.700 . 3.600 3.214 2.021 3.796 0.196 7 0 "[ . 1 .]" 1
837 1 73 ASN HA 1 83 VAL MG2 4.100 . 6.000 3.817 2.741 4.942 . 0 0 "[ . 1 .]" 1
838 1 30 TYR QE 1 74 PRO HA 4.800 . 6.000 4.697 2.698 6.221 0.221 10 0 "[ . 1 .]" 1
839 1 73 ASN HA 1 74 PRO HA 3.800 . 5.600 4.630 4.496 4.821 . 0 0 "[ . 1 .]" 1
840 1 74 PRO HA 1 74 PRO HB3 2.400 . 3.100 2.291 2.257 2.320 . 0 0 "[ . 1 .]" 1
841 1 74 PRO HA 1 74 PRO HD3 3.600 . 5.200 3.846 3.632 3.995 . 0 0 "[ . 1 .]" 1
842 1 74 PRO HA 1 74 PRO HD2 3.900 . 5.800 4.001 3.868 4.106 . 0 0 "[ . 1 .]" 1
843 1 30 TYR QE 1 74 PRO HB3 3.800 . 5.600 3.126 1.960 4.654 0.040 2 0 "[ . 1 .]" 1
844 1 74 PRO HB3 1 74 PRO HD2 4.200 . 6.000 3.890 3.861 3.937 . 0 0 "[ . 1 .]" 1
845 1 74 PRO HB3 1 74 PRO HD3 3.400 . 4.900 3.444 2.987 4.004 . 0 0 "[ . 1 .]" 1
846 1 74 PRO HB2 1 74 PRO HD3 3.700 . 5.400 3.984 3.926 4.033 . 0 0 "[ . 1 .]" 1
847 1 74 PRO HD3 1 74 PRO HG3 2.700 . 3.600 2.291 2.264 2.324 . 0 0 "[ . 1 .]" 1
848 1 74 PRO HD3 1 81 ALA MB 4.600 . 6.000 4.234 3.617 4.742 . 0 0 "[ . 1 .]" 1
849 1 74 PRO HB2 1 74 PRO HD2 3.800 . 5.600 3.655 3.082 4.037 . 0 0 "[ . 1 .]" 1
850 1 74 PRO HD2 1 82 ASN HA 3.400 . 4.800 4.067 2.806 4.861 0.061 9 0 "[ . 1 .]" 1
851 1 74 PRO HD2 1 83 VAL HB 3.900 . 5.800 3.718 2.914 4.627 . 0 0 "[ . 1 .]" 1
852 1 30 TYR QE 1 74 PRO HG3 3.700 . 5.400 3.867 2.494 5.418 0.018 8 0 "[ . 1 .]" 1
853 1 73 ASN HA 1 74 PRO HG3 4.900 . 6.000 4.715 4.363 5.342 . 0 0 "[ . 1 .]" 1
854 1 74 PRO HB3 1 74 PRO HG3 2.500 . 3.300 2.297 2.255 2.326 . 0 0 "[ . 1 .]" 1
855 1 74 PRO HG3 1 83 VAL QG 3.200 . 4.500 2.712 1.928 3.304 . 0 0 "[ . 1 .]" 1
856 1 73 ASN HA 1 74 PRO HG2 4.700 . 6.000 4.622 4.283 4.877 . 0 0 "[ . 1 .]" 1
857 1 74 PRO HD2 1 74 PRO HG2 3.000 . 4.100 2.292 2.256 2.327 . 0 0 "[ . 1 .]" 1
858 1 74 PRO HG2 1 81 ALA MB 2.800 . 3.800 3.052 1.937 3.827 0.027 1 0 "[ . 1 .]" 1
859 1 75 ILE HA 1 75 ILE HB 3.000 . 4.100 3.024 3.011 3.031 . 0 0 "[ . 1 .]" 1
860 1 75 ILE HA 1 75 ILE MD 2.600 . 3.400 2.185 1.972 3.445 0.045 9 0 "[ . 1 .]" 1
861 1 75 ILE HA 1 75 ILE MG 2.400 . 3.100 2.360 2.283 2.422 . 0 0 "[ . 1 .]" 1
862 1 75 ILE HA 1 76 ILE HB 4.300 . 6.000 4.705 4.379 5.018 . 0 0 "[ . 1 .]" 1
863 1 75 ILE HB 1 80 LYS HA 4.500 . 6.000 4.915 3.817 5.368 . 0 0 "[ . 1 .]" 1
864 1 75 ILE HB 1 75 ILE MD 3.100 . 4.300 3.210 2.803 3.244 . 0 0 "[ . 1 .]" 1
865 1 75 ILE MD 1 80 LYS HA 2.400 . 3.100 2.194 1.915 3.231 0.131 9 0 "[ . 1 .]" 1
866 1 75 ILE MD 1 80 LYS HB2 2.500 . 3.300 2.283 1.892 2.809 . 0 0 "[ . 1 .]" 1
867 1 75 ILE MD 1 80 LYS QD 3.000 . 4.100 3.295 2.523 4.107 0.007 10 0 "[ . 1 .]" 1
868 1 75 ILE MD 1 80 LYS QE 3.200 . 4.500 3.598 1.952 4.601 0.101 9 0 "[ . 1 .]" 1
869 1 75 ILE MD 1 80 LYS QG 2.700 . 3.600 2.607 2.103 3.468 . 0 0 "[ . 1 .]" 1
870 1 75 ILE HB 1 75 ILE MG 2.000 . 2.500 2.127 2.115 2.131 . 0 0 "[ . 1 .]" 1
871 1 75 ILE MD 1 75 ILE MG 2.100 . 2.700 1.977 1.846 2.036 . 0 0 "[ . 1 .]" 1
872 1 75 ILE HG12 1 75 ILE MG 3.000 . 4.100 3.171 2.770 3.212 . 0 0 "[ . 1 .]" 1
873 1 75 ILE MG 1 78 GLY HA3 3.400 . 4.800 4.173 3.362 4.811 0.011 13 0 "[ . 1 .]" 1
874 1 75 ILE MG 1 78 GLY HA2 2.800 . 3.800 2.958 2.146 3.630 . 0 0 "[ . 1 .]" 1
875 1 30 TYR QE 1 76 ILE HA 3.500 . 5.100 3.881 2.845 4.827 . 0 0 "[ . 1 .]" 1
876 1 18 LEU QD 1 76 ILE HB 2.800 . 3.800 3.578 2.327 4.718 0.918 4 1 "[ +. 1 .]" 1
877 1 76 ILE HA 1 76 ILE HB 2.900 . 3.900 3.030 3.000 3.056 . 0 0 "[ . 1 .]" 1
878 1 76 ILE HB 1 76 ILE MD 3.000 . 4.100 2.492 2.422 3.240 . 0 0 "[ . 1 .]" 1
879 1 76 ILE HB 1 76 ILE HG13 2.800 . 3.800 2.469 2.413 2.499 . 0 0 "[ . 1 .]" 1
880 1 15 VAL MG1 1 76 ILE MD 2.300 . 3.000 2.722 2.193 3.158 0.158 13 0 "[ . 1 .]" 1
881 1 31 PHE QE 1 76 ILE MD 2.700 . 3.600 2.410 1.805 3.574 . 0 0 "[ . 1 .]" 1
882 1 31 PHE HZ 1 76 ILE MD 3.400 . 4.900 3.304 2.452 4.726 . 0 0 "[ . 1 .]" 1
883 1 74 PRO HB3 1 76 ILE MD 3.000 . 6.000 4.469 3.353 4.994 . 0 0 "[ . 1 .]" 1
884 1 74 PRO HD2 1 76 ILE MD 4.000 . 6.000 3.951 3.544 4.542 . 0 0 "[ . 1 .]" 1
885 1 74 PRO HG3 1 76 ILE MD 3.500 . 5.000 3.851 2.726 4.936 . 0 0 "[ . 1 .]" 1
886 1 76 ILE HA 1 76 ILE MD 3.500 . 5.000 3.742 2.244 3.894 . 0 0 "[ . 1 .]" 1
887 1 76 ILE MD 1 76 ILE HG13 2.400 . 3.100 2.119 2.111 2.124 . 0 0 "[ . 1 .]" 1
888 1 76 ILE MD 1 76 ILE MG 2.300 . 3.000 1.916 1.849 1.973 . 0 0 "[ . 1 .]" 1
889 1 76 ILE MD 1 81 ALA HA 4.100 . 6.000 4.674 4.308 5.550 . 0 0 "[ . 1 .]" 1
890 1 76 ILE MD 1 81 ALA MB 2.100 . 2.700 2.212 1.926 2.969 0.269 15 0 "[ . 1 .]" 1
891 1 76 ILE MD 1 83 VAL MG2 3.300 . 4.600 3.311 2.357 4.028 . 0 0 "[ . 1 .]" 1
892 1 74 PRO HB2 1 76 ILE HG13 3.100 . 4.300 2.971 2.125 4.246 . 0 0 "[ . 1 .]" 1
893 1 76 ILE HA 1 76 ILE HG13 3.000 . 4.100 3.138 3.001 3.841 . 0 0 "[ . 1 .]" 1
894 1 76 ILE HG13 1 81 ALA MB 2.700 . 3.600 2.733 2.153 3.522 . 0 0 "[ . 1 .]" 1
895 1 30 TYR QE 1 76 ILE HG12 3.700 . 5.400 3.543 2.806 4.986 . 0 0 "[ . 1 .]" 1
896 1 74 PRO HB2 1 76 ILE HG12 3.400 . 4.800 3.402 2.866 4.016 . 0 0 "[ . 1 .]" 1
897 1 76 ILE HA 1 76 ILE HG12 2.700 . 3.600 2.606 2.444 3.162 . 0 0 "[ . 1 .]" 1
898 1 76 ILE HG12 1 81 ALA MB 3.800 . 5.600 3.880 1.885 4.665 0.115 15 0 "[ . 1 .]" 1
899 1 30 TYR HB3 1 76 ILE MG 3.600 . 5.200 4.001 3.459 5.222 0.022 13 0 "[ . 1 .]" 1
900 1 22 THR MG 1 76 ILE MG 3.000 . 4.100 2.511 1.931 3.040 . 0 0 "[ . 1 .]" 1
901 1 30 TYR QD 1 76 ILE MG 3.800 . 5.600 3.574 3.263 4.188 . 0 0 "[ . 1 .]" 1
902 1 30 TYR QE 1 76 ILE MG 3.900 . 5.800 4.360 3.861 5.107 . 0 0 "[ . 1 .]" 1
903 1 76 ILE HA 1 76 ILE MG 2.200 . 2.800 2.373 2.285 2.474 . 0 0 "[ . 1 .]" 1
904 1 76 ILE HG12 1 76 ILE MG 2.700 . 3.600 2.445 2.353 3.190 . 0 0 "[ . 1 .]" 1
905 1 76 ILE MG 1 77 ASP HB2 2.900 . 3.900 2.724 2.310 3.309 . 0 0 "[ . 1 .]" 1
906 1 76 ILE MG 1 77 ASP HA 4.300 . 6.000 3.996 3.666 4.206 . 0 0 "[ . 1 .]" 1
907 1 77 ASP HA 1 77 ASP HB2 2.500 . 3.300 2.522 2.441 2.644 . 0 0 "[ . 1 .]" 1
908 1 19 PRO HB2 1 77 ASP HB3 4.400 . 6.000 3.320 2.166 3.937 . 0 0 "[ . 1 .]" 1
909 1 19 PRO HG2 1 77 ASP HB3 2.700 . 3.600 1.892 1.293 2.348 0.507 9 1 "[ . +1 .]" 1
910 1 26 THR MG 1 77 ASP HB3 4.000 . 6.000 4.054 3.245 4.982 . 0 0 "[ . 1 .]" 1
911 1 76 ILE HA 1 77 ASP HB3 4.200 . 6.000 4.813 4.461 5.119 . 0 0 "[ . 1 .]" 1
912 1 76 ILE HB 1 77 ASP HB3 3.600 . 5.200 4.483 4.210 4.917 . 0 0 "[ . 1 .]" 1
913 1 76 ILE MG 1 77 ASP HB3 3.600 . 5.300 3.146 2.675 4.047 . 0 0 "[ . 1 .]" 1
914 1 77 ASP HA 1 77 ASP HB3 2.800 . 3.700 3.021 3.003 3.033 . 0 0 "[ . 1 .]" 1
915 1 19 PRO HB2 1 77 ASP HB2 5.000 . 6.000 4.551 3.137 5.275 . 0 0 "[ . 1 .]" 1
916 1 75 ILE MD 1 79 ARG HA 4.100 . 6.000 4.111 3.471 4.387 . 0 0 "[ . 1 .]" 1
917 1 75 ILE MG 1 79 ARG HA 3.400 . 4.800 3.528 2.460 4.293 . 0 0 "[ . 1 .]" 1
918 1 79 ARG HA 1 79 ARG HB3 2.700 . 3.600 2.727 2.438 3.027 . 0 0 "[ . 1 .]" 1
919 1 79 ARG HA 1 79 ARG HB2 2.800 . 3.800 2.801 2.396 3.030 . 0 0 "[ . 1 .]" 1
920 1 79 ARG HA 1 79 ARG HG3 2.800 . 3.800 3.255 2.402 3.809 0.009 4 0 "[ . 1 .]" 1
921 1 79 ARG HA 1 80 LYS HB2 3.800 . 5.600 4.535 4.429 4.645 . 0 0 "[ . 1 .]" 1
922 1 19 PRO HB3 1 79 ARG HB3 4.100 . 6.000 4.600 2.909 5.487 . 0 0 "[ . 1 .]" 1
923 1 19 PRO HG3 1 79 ARG HB3 3.400 . 4.800 2.799 1.830 3.515 0.170 2 0 "[ . 1 .]" 1
924 1 19 PRO HG2 1 79 ARG HB3 3.800 . 5.600 4.218 2.769 4.995 . 0 0 "[ . 1 .]" 1
925 1 79 ARG HB3 1 79 ARG HD3 3.500 . 5.000 3.333 2.462 3.792 . 0 0 "[ . 1 .]" 1
926 1 79 ARG HB3 1 79 ARG HD2 3.400 . 4.800 3.110 2.295 3.778 . 0 0 "[ . 1 .]" 1
927 1 79 ARG HB3 1 79 ARG HG3 2.700 . 3.600 2.510 2.417 3.008 . 0 0 "[ . 1 .]" 1
928 1 19 PRO HB3 1 79 ARG HB2 4.100 . 6.000 3.937 2.705 4.659 . 0 0 "[ . 1 .]" 1
929 1 19 PRO HG3 1 79 ARG HB2 3.000 . 4.100 2.230 1.810 3.541 0.090 9 0 "[ . 1 .]" 1
930 1 79 ARG HB2 1 79 ARG HD3 3.200 . 4.500 3.114 2.358 4.163 . 0 0 "[ . 1 .]" 1
931 1 79 ARG HB2 1 79 ARG HD2 3.500 . 5.000 3.276 2.529 3.748 . 0 0 "[ . 1 .]" 1
932 1 79 ARG HB3 1 79 ARG QD 3.100 . 4.300 2.805 2.235 3.304 . 0 0 "[ . 1 .]" 1
933 1 79 ARG HB2 1 79 ARG QD 3.100 . 4.300 2.799 2.274 3.353 . 0 0 "[ . 1 .]" 1
934 1 79 ARG QD 1 79 ARG HG2 3.000 . 4.100 2.334 2.140 2.386 . 0 0 "[ . 1 .]" 1
935 1 18 LEU HA 1 79 ARG HG3 4.300 . 6.000 5.816 5.337 6.785 0.785 12 1 "[ . 1 + .]" 1
936 1 79 ARG HD2 1 79 ARG HG3 2.800 . 3.800 2.477 2.398 2.901 . 0 0 "[ . 1 .]" 1
937 1 79 ARG HD3 1 79 ARG HG2 2.600 . 3.400 2.435 2.227 2.500 . 0 0 "[ . 1 .]" 1
938 1 75 ILE MG 1 80 LYS HA 3.000 . 4.100 3.382 2.596 4.027 . 0 0 "[ . 1 .]" 1
939 1 80 LYS HA 1 80 LYS HB2 2.200 . 2.800 2.475 2.394 2.535 . 0 0 "[ . 1 .]" 1
940 1 80 LYS HA 1 81 ALA MB 3.100 . 4.300 3.923 3.787 4.058 . 0 0 "[ . 1 .]" 1
941 1 75 ILE HA 1 80 LYS HB3 4.800 . 6.000 5.004 4.310 5.359 . 0 0 "[ . 1 .]" 1
942 1 75 ILE MD 1 80 LYS HB3 3.600 . 5.200 3.628 3.333 4.022 . 0 0 "[ . 1 .]" 1
943 1 80 LYS HB3 1 80 LYS QE 3.400 . 4.800 2.629 1.953 3.969 0.047 14 0 "[ . 1 .]" 1
944 1 80 LYS HB3 1 80 LYS QG 2.400 . 3.100 2.325 2.238 2.437 . 0 0 "[ . 1 .]" 1
945 1 91 LYS HB2 1 91 LYS HG3 3.000 . 4.100 2.519 2.355 3.004 . 0 0 "[ . 1 .]" 1
946 1 75 ILE HA 1 80 LYS HB2 4.300 . 6.000 4.019 3.551 4.471 . 0 0 "[ . 1 .]" 1
947 1 75 ILE MG 1 80 LYS HB2 4.100 . 6.000 4.055 3.248 4.605 . 0 0 "[ . 1 .]" 1
948 1 80 LYS HB2 1 80 LYS QE 3.000 . 4.100 2.781 1.936 3.986 . 0 0 "[ . 1 .]" 1
949 1 80 LYS HB2 1 80 LYS QG 2.600 . 3.400 2.363 2.252 2.447 . 0 0 "[ . 1 .]" 1
950 1 80 LYS QD 1 80 LYS QE 2.200 . 2.800 2.043 2.001 2.092 . 0 0 "[ . 1 .]" 1
951 1 73 ASN HA 1 80 LYS QD 4.100 . 6.000 4.373 2.792 5.561 . 0 0 "[ . 1 .]" 1
952 1 73 ASN HB3 1 80 LYS QD 3.000 . 4.100 2.799 1.790 4.257 0.157 15 0 "[ . 1 .]" 1
953 1 73 ASN HB2 1 80 LYS QD 2.700 . 3.600 2.985 1.752 4.109 0.509 9 1 "[ . +1 .]" 1
954 1 80 LYS HA 1 80 LYS QD 3.800 . 5.600 4.058 3.754 4.258 . 0 0 "[ . 1 .]" 1
955 1 80 LYS QD 1 80 LYS QG 2.200 . 2.800 2.015 1.986 2.087 . 0 0 "[ . 1 .]" 1
956 1 73 ASN HA 1 80 LYS QE 3.200 . 6.000 5.423 4.108 6.024 0.024 4 0 "[ . 1 .]" 1
957 1 80 LYS QE 1 80 LYS QG 3.000 . 4.100 2.466 2.162 2.821 . 0 0 "[ . 1 .]" 1
958 1 73 ASN HA 1 80 LYS QG 3.200 . 4.500 3.453 2.359 4.280 . 0 0 "[ . 1 .]" 1
959 1 73 ASN HB2 1 80 LYS QG 2.700 . 3.600 3.259 1.997 4.311 0.711 9 1 "[ . +1 .]" 1
960 1 80 LYS HA 1 80 LYS QG 2.400 . 3.100 2.432 2.303 2.536 . 0 0 "[ . 1 .]" 1
961 1 17 GLY HA3 1 81 ALA HA 3.000 . 4.100 2.679 1.856 3.633 0.044 12 0 "[ . 1 .]" 1
962 1 17 GLY HA2 1 81 ALA HA 3.900 . 5.800 4.325 3.541 5.081 . 0 0 "[ . 1 .]" 1
963 1 18 LEU QD 1 81 ALA HA 3.300 . 6.000 4.172 3.691 4.676 . 0 0 "[ . 1 .]" 1
964 1 81 ALA HA 1 81 ALA MB 2.300 . 2.900 2.128 2.117 2.138 . 0 0 "[ . 1 .]" 1
965 1 18 LEU QD 1 81 ALA MB 3.000 . 4.100 2.789 2.447 3.263 . 0 0 "[ . 1 .]" 1
966 1 73 ASN HA 1 81 ALA MB 3.700 . 5.400 4.256 3.771 5.149 . 0 0 "[ . 1 .]" 1
967 1 74 PRO HB3 1 81 ALA MB 2.700 . 6.000 5.142 4.518 5.525 . 0 0 "[ . 1 .]" 1
968 1 74 PRO HD2 1 81 ALA MB 2.900 . 3.900 2.752 2.059 3.282 . 0 0 "[ . 1 .]" 1
969 1 74 PRO HG3 1 81 ALA MB 3.500 . 5.100 4.387 3.390 5.098 . 0 0 "[ . 1 .]" 1
970 1 81 ALA MB 1 82 ASN HA 3.700 . 5.400 4.112 3.972 4.195 . 0 0 "[ . 1 .]" 1
971 1 74 PRO HD3 1 82 ASN HA 4.100 . 6.000 4.710 3.613 5.883 . 0 0 "[ . 1 .]" 1
972 1 82 ASN HA 1 82 ASN HB3 2.600 . 3.400 2.846 2.507 3.036 . 0 0 "[ . 1 .]" 1
973 1 82 ASN HA 1 82 ASN HB2 2.400 . 3.100 2.686 2.361 3.027 . 0 0 "[ . 1 .]" 1
974 1 13 ILE MG 1 83 VAL HA 3.300 . 4.600 3.451 2.787 4.002 . 0 0 "[ . 1 .]" 1
975 1 83 VAL HA 1 83 VAL MG2 2.500 . 3.300 2.342 2.241 2.487 . 0 0 "[ . 1 .]" 1
976 1 13 ILE MG 1 83 VAL HB 3.900 . 5.800 4.469 4.083 4.881 . 0 0 "[ . 1 .]" 1
977 1 74 PRO HD3 1 83 VAL HB 3.400 . 4.800 3.043 2.158 3.905 . 0 0 "[ . 1 .]" 1
978 1 83 VAL HA 1 83 VAL HB 2.700 . 3.600 3.027 3.012 3.040 . 0 0 "[ . 1 .]" 1
979 1 83 VAL HB 1 83 VAL MG2 2.400 . 3.100 2.126 2.119 2.134 . 0 0 "[ . 1 .]" 1
980 1 74 PRO HG2 1 83 VAL QG 2.700 . 3.600 2.653 2.096 3.630 0.030 13 0 "[ . 1 .]" 1
981 1 15 VAL HA 1 83 VAL QG 2.700 . 3.600 2.848 2.404 3.326 . 0 0 "[ . 1 .]" 1
982 1 15 VAL MG1 1 83 VAL QG 2.000 . 2.500 2.075 1.639 2.576 0.076 6 0 "[ . 1 .]" 1
983 1 15 VAL MG2 1 83 VAL QG 2.400 . 3.100 2.381 1.621 3.114 0.079 8 0 "[ . 1 .]" 1
984 1 31 PHE QE 1 83 VAL QG 3.000 . 4.100 2.775 2.082 3.534 . 0 0 "[ . 1 .]" 1
985 1 31 PHE HZ 1 83 VAL QG 2.600 . 3.500 2.415 1.867 3.085 . 0 0 "[ . 1 .]" 1
986 1 73 ASN HA 1 83 VAL QG 3.500 . 5.000 3.751 2.712 4.855 . 0 0 "[ . 1 .]" 1
987 1 74 PRO HB3 1 83 VAL QG 2.600 . 6.000 4.278 3.464 4.869 . 0 0 "[ . 1 .]" 1
988 1 74 PRO HD3 1 83 VAL QG 2.700 . 3.600 2.644 2.088 3.115 . 0 0 "[ . 1 .]" 1
989 1 74 PRO HD2 1 83 VAL QG 2.500 . 3.300 2.396 1.876 2.763 . 0 0 "[ . 1 .]" 1
990 1 81 ALA MB 1 83 VAL QG 2.800 . 3.800 2.957 2.413 3.407 . 0 0 "[ . 1 .]" 1
991 1 82 ASN HA 1 83 VAL QG 3.600 . 5.200 3.579 3.210 4.072 . 0 0 "[ . 1 .]" 1
992 1 83 VAL HA 1 83 VAL QG 2.100 . 2.700 2.135 2.103 2.168 . 0 0 "[ . 1 .]" 1
993 1 83 VAL HB 1 83 VAL QG 1.900 . 2.400 1.895 1.889 1.904 . 0 0 "[ . 1 .]" 1
994 1 13 ILE HB 1 83 VAL MG1 2.400 . 6.000 4.320 4.022 4.811 . 0 0 "[ . 1 .]" 1
995 1 13 ILE HG13 1 83 VAL MG1 4.300 . 6.000 4.915 3.760 5.518 . 0 0 "[ . 1 .]" 1
996 1 83 VAL MG1 1 84 ASN HA 2.800 . 3.800 3.127 2.974 3.357 . 0 0 "[ . 1 .]" 1
997 1 30 TYR QE 1 83 VAL MG2 3.000 . 6.000 5.048 3.343 5.669 . 0 0 "[ . 1 .]" 1
998 1 68 ALA HA 1 83 VAL MG2 2.300 . 6.000 5.580 4.918 6.097 0.097 9 0 "[ . 1 .]" 1
999 1 84 ASN HA 1 84 ASN HB2 2.400 . 3.100 2.672 2.431 3.028 . 0 0 "[ . 1 .]" 1
1000 1 84 ASN HB3 1 88 LEU MD1 3.400 . 4.800 3.768 1.854 4.822 0.146 12 0 "[ . 1 .]" 1
1001 1 84 ASN HA 1 84 ASN HB3 2.500 . 3.300 2.720 2.420 3.039 . 0 0 "[ . 1 .]" 1
1002 1 13 ILE HA 1 85 LEU HA 2.300 . 2.900 2.497 2.122 3.017 0.117 15 0 "[ . 1 .]" 1
1003 1 13 ILE HG12 1 85 LEU HA 3.500 . 5.100 3.895 2.856 5.233 0.133 13 0 "[ . 1 .]" 1
1004 1 13 ILE MG 1 85 LEU HA 2.900 . 4.000 3.465 3.098 4.046 0.046 13 0 "[ . 1 .]" 1
1005 1 85 LEU HA 1 85 LEU HB3 2.600 . 3.400 2.792 2.507 2.934 . 0 0 "[ . 1 .]" 1
1006 1 85 LEU HA 1 85 LEU HB2 2.700 . 3.600 2.880 2.766 3.007 . 0 0 "[ . 1 .]" 1
1007 1 85 LEU HA 1 85 LEU HG 3.200 . 4.500 3.502 2.412 3.664 . 0 0 "[ . 1 .]" 1
1008 1 85 LEU HA 1 87 TYR QD 4.600 . 6.000 4.197 3.682 5.026 . 0 0 "[ . 1 .]" 1
1009 1 85 LEU HA 1 87 TYR QE 4.900 . 6.000 4.813 4.435 5.425 . 0 0 "[ . 1 .]" 1
1010 1 13 ILE HA 1 85 LEU HB3 4.300 . 6.000 5.068 4.547 5.780 . 0 0 "[ . 1 .]" 1
1011 1 85 LEU HB3 1 85 LEU QD 2.500 . 3.300 2.268 2.052 2.341 . 0 0 "[ . 1 .]" 1
1012 1 85 LEU HB3 1 85 LEU HG 2.600 . 3.400 2.523 2.414 2.995 . 0 0 "[ . 1 .]" 1
1013 1 85 LEU HB3 1 87 TYR QD 2.400 . 3.100 2.174 1.751 3.215 0.115 8 0 "[ . 1 .]" 1
1014 1 85 LEU HB3 1 87 TYR QE 2.700 . 3.600 2.333 1.810 3.306 . 0 0 "[ . 1 .]" 1
1015 1 85 LEU HB2 1 85 LEU QD 2.900 . 4.000 2.332 2.110 2.441 . 0 0 "[ . 1 .]" 1
1016 1 85 LEU HB2 1 87 TYR QD 4.000 . 6.000 3.753 2.841 4.633 . 0 0 "[ . 1 .]" 1
1017 1 85 LEU HB2 1 87 TYR QE 3.300 . 4.700 2.987 2.245 3.993 . 0 0 "[ . 1 .]" 1
1018 1 60 LYS HB3 1 60 LYS QG 2.000 . 2.500 1.909 1.858 1.964 . 0 0 "[ . 1 .]" 1
1019 1 10 PHE HB3 1 85 LEU QD 2.900 . 6.000 3.697 3.014 4.785 . 0 0 "[ . 1 .]" 1
1020 1 10 PHE QD 1 85 LEU QD 3.000 . 4.100 3.117 2.466 3.949 . 0 0 "[ . 1 .]" 1
1021 1 10 PHE QE 1 85 LEU QD 3.800 . 5.600 4.505 3.859 5.387 . 0 0 "[ . 1 .]" 1
1022 1 84 ASN HA 1 85 LEU QD 3.400 . 6.000 4.014 3.366 4.609 . 0 0 "[ . 1 .]" 1
1023 1 85 LEU HA 1 85 LEU QD . . 2.500 1.858 1.679 2.147 0.121 2 0 "[ . 1 .]" 1
1024 1 85 LEU QD 1 85 LEU HG 2.200 . 2.800 1.892 1.883 1.897 . 0 0 "[ . 1 .]" 1
1025 1 85 LEU QD 1 87 TYR HA 3.900 . 5.800 5.138 4.497 5.619 . 0 0 "[ . 1 .]" 1
1026 1 85 LEU QD 1 87 TYR QD 2.800 . 3.800 2.214 1.739 2.907 0.261 7 0 "[ . 1 .]" 1
1027 1 85 LEU QD 1 87 TYR QE 2.500 . 3.300 2.553 1.558 2.971 0.242 11 0 "[ . 1 .]" 1
1028 1 13 ILE HA 1 85 LEU QD 3.000 . 4.100 2.793 2.468 3.011 . 0 0 "[ . 1 .]" 1
1029 1 13 ILE HB 1 85 LEU QD 2.300 . 6.000 4.510 4.125 5.050 . 0 0 "[ . 1 .]" 1
1030 1 85 LEU MD1 1 85 LEU MD2 2.100 . 2.600 2.076 2.048 2.096 . 0 0 "[ . 1 .]" 1
1031 1 85 LEU HG 1 87 TYR QD 4.400 . 6.000 3.627 3.073 4.739 . 0 0 "[ . 1 .]" 1
1032 1 85 LEU HG 1 87 TYR QE 3.600 . 5.200 2.573 1.963 3.836 0.037 6 0 "[ . 1 .]" 1
1033 1 14 PHE HB3 1 86 ALA HA 2.700 . 3.600 2.920 1.921 3.309 . 0 0 "[ . 1 .]" 1
1034 1 14 PHE HB2 1 86 ALA HA 2.500 . 3.300 2.441 1.781 3.257 . 0 0 "[ . 1 .]" 1
1035 1 56 PHE QE 1 86 ALA HA 4.300 . 6.000 3.963 3.035 4.956 . 0 0 "[ . 1 .]" 1
1036 1 12 LYS HE2 1 86 ALA MB 3.000 . 4.100 3.426 2.321 4.583 0.483 4 0 "[ . 1 .]" 1
1037 1 86 ALA MB 2 5 U H1' 4.000 . 6.000 4.419 3.309 6.021 0.021 4 0 "[ . 1 .]" 1
1038 1 12 LYS HB3 1 86 ALA MB 2.500 . 3.300 2.746 2.242 3.354 0.054 10 0 "[ . 1 .]" 1
1039 1 12 LYS HB2 1 86 ALA MB 3.900 . 5.800 4.035 3.624 4.630 . 0 0 "[ . 1 .]" 1
1040 1 14 PHE HB3 1 86 ALA MB 3.100 . 4.300 3.458 2.528 4.240 . 0 0 "[ . 1 .]" 1
1041 1 56 PHE HB2 1 86 ALA MB 2.700 . 6.000 5.944 5.196 6.587 0.587 14 2 "[ -. 1 +.]" 1
1042 1 56 PHE QE 1 86 ALA MB 3.100 . 4.300 2.545 1.873 3.407 0.027 2 0 "[ . 1 .]" 1
1043 1 86 ALA HA 1 86 ALA MB 2.200 . 2.800 2.121 2.103 2.132 . 0 0 "[ . 1 .]" 1
1044 1 86 ALA MB 1 87 TYR QE 4.200 . 6.000 6.013 5.719 6.181 0.181 14 0 "[ . 1 .]" 1
1045 1 86 ALA MB 1 87 TYR HA 3.800 . 5.600 3.764 3.644 3.890 . 0 0 "[ . 1 .]" 1
1046 1 87 TYR HA 1 87 TYR HB3 2.500 . 3.300 2.559 2.460 2.698 . 0 0 "[ . 1 .]" 1
1047 1 87 TYR HA 1 87 TYR HB2 2.200 . 2.800 2.349 2.287 2.420 . 0 0 "[ . 1 .]" 1
1048 1 9 MET HA 1 87 TYR HB3 3.200 . 4.500 3.518 1.981 4.517 0.017 4 0 "[ . 1 .]" 1
1049 1 87 TYR HB3 1 87 TYR QD 2.700 . 3.600 2.595 2.354 2.752 . 0 0 "[ . 1 .]" 1
1050 1 87 TYR HB3 1 87 TYR QE 4.200 . 6.000 4.464 4.401 4.505 . 0 0 "[ . 1 .]" 1
1051 1 87 TYR HB3 1 90 ALA MB 5.000 . 6.000 4.171 3.691 4.887 . 0 0 "[ . 1 .]" 1
1052 1 9 MET HA 1 87 TYR HB2 3.700 . 5.400 4.287 2.210 5.709 0.309 4 0 "[ . 1 .]" 1
1053 1 9 MET QG 1 87 TYR HB2 3.700 . 5.400 3.341 2.248 5.053 . 0 0 "[ . 1 .]" 1
1054 1 87 TYR HB2 1 87 TYR QD 2.400 . 3.100 2.331 2.263 2.590 . 0 0 "[ . 1 .]" 1
1055 1 87 TYR HB2 1 87 TYR QE 4.300 . 6.000 4.392 4.360 4.473 . 0 0 "[ . 1 .]" 1
1056 1 9 MET HA 1 87 TYR QD 3.800 . 5.600 4.535 2.814 5.504 . 0 0 "[ . 1 .]" 1
1057 1 87 TYR HA 1 87 TYR QD 3.500 . 5.000 3.682 3.453 3.740 . 0 0 "[ . 1 .]" 1
1058 1 87 TYR QD 1 88 LEU HB3 4.600 . 6.000 5.406 4.066 5.885 . 0 0 "[ . 1 .]" 1
1059 1 87 TYR QD 1 88 LEU HB2 3.700 . 5.400 4.673 3.067 5.361 . 0 0 "[ . 1 .]" 1
1060 1 10 PHE QD 1 87 TYR QE 3.100 . 4.300 3.359 2.231 4.176 . 0 0 "[ . 1 .]" 1
1061 1 10 PHE QE 1 87 TYR QE 3.100 . 4.300 3.025 1.993 4.040 . 0 0 "[ . 1 .]" 1
1062 1 10 PHE HZ 1 87 TYR QE 3.900 . 5.800 4.591 3.779 5.727 . 0 0 "[ . 1 .]" 1
1063 1 87 TYR QE 1 88 LEU HA 4.200 . 6.000 4.637 4.083 5.040 . 0 0 "[ . 1 .]" 1
1064 1 87 TYR QD 1 88 LEU HA 3.500 . 5.100 4.094 3.407 4.445 . 0 0 "[ . 1 .]" 1
1065 1 88 LEU HA 1 88 LEU HB3 2.600 . 3.400 2.525 2.447 3.024 . 0 0 "[ . 1 .]" 1
1066 1 88 LEU HA 1 88 LEU HB2 2.800 . 3.800 2.983 2.494 3.024 . 0 0 "[ . 1 .]" 1
1067 1 88 LEU HA 1 88 LEU MD1 4.100 . 6.000 3.812 3.218 3.920 . 0 0 "[ . 1 .]" 1
1068 1 88 LEU HA 1 88 LEU HG 3.000 . 4.100 3.125 3.023 3.708 . 0 0 "[ . 1 .]" 1
1069 1 88 LEU HB3 1 88 LEU HG 3.000 . 4.100 2.989 2.555 3.025 . 0 0 "[ . 1 .]" 1
1070 1 88 LEU HB2 1 88 LEU HG 2.700 . 3.600 2.460 2.309 2.510 . 0 0 "[ . 1 .]" 1
1071 1 88 LEU MD1 1 88 LEU MD2 2.400 . 3.100 2.089 2.076 2.108 . 0 0 "[ . 1 .]" 1
1072 1 85 LEU HB3 1 88 LEU MD1 3.000 . 4.200 3.459 2.892 4.225 0.025 9 0 "[ . 1 .]" 1
1073 1 85 LEU HB2 1 88 LEU MD1 2.700 . 3.600 2.849 2.023 3.661 0.061 11 0 "[ . 1 .]" 1
1074 1 85 LEU HG 1 88 LEU MD1 2.600 . 6.000 4.543 2.895 6.049 0.049 11 0 "[ . 1 .]" 1
1075 1 87 TYR QD 1 88 LEU MD1 4.500 . 6.000 4.479 3.939 5.331 . 0 0 "[ . 1 .]" 1
1076 1 87 TYR QE 1 88 LEU MD1 3.500 . 5.000 3.783 3.108 5.078 0.078 11 0 "[ . 1 .]" 1
1077 1 88 LEU HB3 1 88 LEU MD1 2.400 . 3.100 2.371 2.172 2.445 . 0 0 "[ . 1 .]" 1
1078 1 88 LEU HB2 1 88 LEU MD1 2.300 . 3.000 2.371 2.265 3.131 0.131 11 0 "[ . 1 .]" 1
1079 1 88 LEU MD1 1 88 LEU HG 2.200 . 2.800 2.125 2.117 2.130 . 0 0 "[ . 1 .]" 1
1080 1 87 TYR QD 1 88 LEU MD2 3.400 . 4.900 3.604 3.106 4.360 . 0 0 "[ . 1 .]" 1
1081 1 87 TYR QE 1 88 LEU MD2 2.600 . 3.400 2.962 2.407 3.569 0.169 11 0 "[ . 1 .]" 1
1082 1 88 LEU HA 1 88 LEU MD2 2.100 . 2.600 2.002 1.918 2.141 . 0 0 "[ . 1 .]" 1
1083 1 88 LEU HB3 1 88 LEU MD2 2.300 . 3.000 2.420 2.325 3.169 0.169 11 0 "[ . 1 .]" 1
1084 1 88 LEU HB2 1 88 LEU MD2 2.900 . 4.000 3.153 2.524 3.204 . 0 0 "[ . 1 .]" 1
1085 1 85 LEU HB3 1 88 LEU HG 3.300 . 4.700 2.787 2.246 3.835 . 0 0 "[ . 1 .]" 1
1086 1 85 LEU HB2 1 88 LEU HG 3.400 . 4.900 3.148 1.975 4.052 . 0 0 "[ . 1 .]" 1
1087 1 87 TYR QD 1 88 LEU HG 3.600 . 5.200 3.334 2.483 5.170 . 0 0 "[ . 1 .]" 1
1088 1 87 TYR QE 1 88 LEU HG 3.200 . 4.500 3.145 2.398 4.142 . 0 0 "[ . 1 .]" 1
1089 1 89 GLY HA3 2 5 U H1' 4.700 . 6.000 5.563 4.349 6.226 0.226 4 0 "[ . 1 .]" 1
1090 1 90 ALA HA 2 5 U H1' 3.700 . 5.400 4.773 4.033 5.268 . 0 0 "[ . 1 .]" 1
1091 1 90 ALA HA 2 5 U H2' 3.500 . 5.000 4.053 2.629 5.078 0.078 9 0 "[ . 1 .]" 1
1092 1 90 ALA HA 1 91 LYS QE 4.200 . 6.000 5.082 3.873 6.068 0.068 10 0 "[ . 1 .]" 1
1093 1 90 ALA MB 2 5 U H1' 3.800 . 5.600 4.926 2.919 5.673 0.073 7 0 "[ . 1 .]" 1
1094 1 90 ALA MB 2 5 U H2' 4.300 . 6.000 5.050 3.877 5.859 . 0 0 "[ . 1 .]" 1
1095 1 87 TYR HA 1 90 ALA MB 2.300 . 2.900 2.191 1.872 2.863 . 0 0 "[ . 1 .]" 1
1096 1 87 TYR HB2 1 90 ALA MB 3.800 . 5.600 3.792 3.178 4.824 . 0 0 "[ . 1 .]" 1
1097 1 90 ALA HA 1 90 ALA MB 2.100 . 2.600 2.133 2.128 2.137 . 0 0 "[ . 1 .]" 1
1098 1 91 LYS HA 1 95 ASN QB 4.000 . 6.000 4.932 2.767 5.660 . 0 0 "[ . 1 .]" 1
1099 1 91 LYS HA 1 91 LYS HB3 2.400 . 3.100 2.481 2.382 2.563 . 0 0 "[ . 1 .]" 1
1100 1 91 LYS HA 1 91 LYS HB2 2.700 . 3.600 3.024 3.014 3.034 . 0 0 "[ . 1 .]" 1
1101 1 91 LYS HA 1 92 PRO HD3 2.100 . 2.700 2.293 1.848 2.731 0.031 5 0 "[ . 1 .]" 1
1102 1 91 LYS HA 1 92 PRO HD2 2.100 . 2.700 2.524 2.103 2.914 0.214 3 0 "[ . 1 .]" 1
1103 1 91 LYS HA 1 92 PRO QG 4.600 . 6.000 3.986 3.678 4.226 . 0 0 "[ . 1 .]" 1
1104 1 91 LYS HB2 2 5 U H1' 2.900 . 6.000 5.312 3.862 6.136 0.136 10 0 "[ . 1 .]" 1
1105 1 89 GLY HA3 1 91 LYS QE 2.400 . 6.000 5.227 3.702 6.097 0.097 11 0 "[ . 1 .]" 1
1106 1 91 LYS HA 1 91 LYS HG3 3.100 . 4.300 3.078 2.391 3.805 . 0 0 "[ . 1 .]" 1
1107 1 91 LYS HA 1 91 LYS HG2 2.800 . 3.800 2.781 2.444 3.675 . 0 0 "[ . 1 .]" 1
1108 1 92 PRO HA 1 92 PRO HB3 2.400 . 3.100 2.297 2.262 2.339 . 0 0 "[ . 1 .]" 1
1109 1 92 PRO HA 1 93 ARG HB3 2.900 . 6.000 5.292 4.599 5.658 . 0 0 "[ . 1 .]" 1
1110 1 92 PRO HA 1 93 ARG QG 4.100 . 6.000 5.729 5.037 6.176 0.176 10 0 "[ . 1 .]" 1
1111 1 92 PRO HB3 1 92 PRO HD3 3.300 . 4.700 3.540 3.073 4.029 . 0 0 "[ . 1 .]" 1
1112 1 92 PRO HD3 1 92 PRO HG2 2.900 . 4.000 2.835 2.686 2.961 . 0 0 "[ . 1 .]" 1
1113 1 92 PRO HD3 1 93 ARG HB3 4.300 . 6.000 5.896 5.365 6.308 0.308 10 0 "[ . 1 .]" 1
1114 1 91 LYS HB3 1 92 PRO HD2 3.300 . 4.700 4.240 2.372 4.728 0.028 12 0 "[ . 1 .]" 1
1115 1 91 LYS HB2 1 92 PRO HD2 3.900 . 5.800 5.065 3.932 5.380 . 0 0 "[ . 1 .]" 1
1116 1 92 PRO HB3 1 92 PRO HD2 4.200 . 6.000 3.915 3.873 3.958 . 0 0 "[ . 1 .]" 1
1117 1 92 PRO HD2 1 92 PRO HG3 2.900 . 3.900 2.885 2.748 2.989 . 0 0 "[ . 1 .]" 1
1118 1 92 PRO HD2 1 93 ARG HB3 3.400 . 4.900 4.387 3.797 4.790 . 0 0 "[ . 1 .]" 1
1119 1 92 PRO HA 1 92 PRO QG 3.500 . 5.000 3.444 2.953 3.543 . 0 0 "[ . 1 .]" 1
1120 1 92 PRO HD3 1 92 PRO QG 2.300 . 3.000 2.188 2.172 2.214 . 0 0 "[ . 1 .]" 1
1121 1 92 PRO HD2 1 92 PRO QG 2.300 . 3.000 2.198 2.173 2.242 . 0 0 "[ . 1 .]" 1
1122 1 92 PRO QG 1 93 ARG HB3 2.300 . 6.000 4.074 3.246 5.488 . 0 0 "[ . 1 .]" 1
1123 1 93 ARG HB2 1 93 ARG QD 2.700 . 3.600 2.562 2.303 3.073 . 0 0 "[ . 1 .]" 1
1124 1 93 ARG HB3 1 93 ARG QD 2.400 . 3.100 2.618 2.306 3.289 0.189 10 0 "[ . 1 .]" 1
1125 1 93 ARG HA 1 93 ARG QD 3.300 . 4.600 4.099 1.971 4.598 0.029 10 0 "[ . 1 .]" 1
1126 1 93 ARG HG2 1 94 THR MG 2.400 . 3.100 3.140 2.685 3.517 0.417 7 0 "[ . 1 .]" 1
1127 1 95 ASN HA 1 95 ASN QB 3.700 . 4.300 2.340 2.170 2.471 . 0 0 "[ . 1 .]" 1
1128 1 96 VAL HB 1 96 VAL QG 3.100 . 4.300 1.898 1.892 1.902 0.008 5 0 "[ . 1 .]" 1
1129 2 5 U H1' 2 6 G H8 4.200 . 6.000 4.650 4.072 5.399 . 0 0 "[ . 1 .]" 1
1130 2 1 G H1' 2 1 G H2' 3.100 . 4.300 3.074 3.061 3.082 . 0 0 "[ . 1 .]" 1
1131 2 1 G H1' 2 1 G H3' 4.200 . 6.000 3.837 3.771 3.901 . 0 0 "[ . 1 .]" 1
1132 2 1 G H1' 2 1 G H4' 3.300 . 4.700 3.367 3.223 3.463 . 0 0 "[ . 1 .]" 1
1133 2 1 G H1' 2 1 G H5'' 4.600 . 6.000 4.681 4.333 5.013 . 0 0 "[ . 1 .]" 1
1134 2 2 G H1' 2 2 G H2' 3.200 . 4.500 3.077 3.070 3.081 . 0 0 "[ . 1 .]" 1
1135 2 2 G H1' 2 2 G H4' 3.500 . 5.100 3.273 3.184 3.403 . 0 0 "[ . 1 .]" 1
1136 2 1 G H2' 2 2 G H8 3.800 . 5.600 4.800 2.908 5.630 0.030 12 0 "[ . 1 .]" 1
1137 2 2 G H1' 2 2 G H8 3.200 . 4.500 3.739 3.517 3.892 . 0 0 "[ . 1 .]" 1
1138 2 2 G H2' 2 2 G H8 2.800 . 3.800 3.284 2.487 3.893 0.093 6 0 "[ . 1 .]" 1
1139 2 2 G H3' 2 2 G H8 3.900 . 5.800 5.015 4.586 5.473 . 0 0 "[ . 1 .]" 1
1140 2 2 G H4' 2 2 G H8 4.400 . 6.000 4.628 4.426 4.933 . 0 0 "[ . 1 .]" 1
1141 2 2 G Q5' 2 2 G H8 3.900 . 5.800 3.442 2.891 4.197 . 0 0 "[ . 1 .]" 1
1142 2 3 U H1' 2 3 U H2' 3.700 . 5.400 3.074 3.061 3.083 . 0 0 "[ . 1 .]" 1
1143 2 3 U H1' 2 3 U H4' 4.800 . 6.000 3.336 3.188 3.500 . 0 0 "[ . 1 .]" 1
1144 2 3 U H2' 2 3 U H5 4.900 . 6.000 4.419 4.192 4.884 . 0 0 "[ . 1 .]" 1
1145 2 3 U H1' 2 3 U H6 3.900 . 5.800 3.667 3.448 3.734 . 0 0 "[ . 1 .]" 1
1146 2 3 U H2' 2 3 U H6 2.300 . 2.900 2.324 1.827 3.076 0.176 10 0 "[ . 1 .]" 1
1147 2 3 U H3' 2 3 U H6 4.300 . 6.000 4.266 3.934 4.757 . 0 0 "[ . 1 .]" 1
1148 2 3 U H4' 2 3 U H6 4.700 . 6.000 4.577 4.158 5.368 . 0 0 "[ . 1 .]" 1
1149 2 3 U H5 2 3 U H6 2.500 . 3.300 2.405 2.392 2.414 . 0 0 "[ . 1 .]" 1
1150 2 3 U H5' 2 3 U H6 4.000 . 6.000 4.205 3.283 5.559 . 0 0 "[ . 1 .]" 1
1151 2 4 G H1' 2 4 G H2' 3.000 . 4.100 2.825 2.797 2.837 . 0 0 "[ . 1 .]" 1
1152 2 4 G H1' 2 4 G H4' 3.300 . 4.600 3.326 3.244 3.497 . 0 0 "[ . 1 .]" 1
1153 2 4 G H1' 2 4 G H8 2.700 . 3.600 2.512 2.477 2.536 . 0 0 "[ . 1 .]" 1
1154 2 5 U H1' 2 5 U H2' 3.400 . 4.900 3.070 3.061 3.079 . 0 0 "[ . 1 .]" 1
1155 2 5 U H1' 2 5 U H3' 4.000 . 6.000 3.858 3.734 3.937 . 0 0 "[ . 1 .]" 1
1156 2 5 U H1' 2 5 U H4' 3.400 . 4.900 3.390 3.185 3.466 . 0 0 "[ . 1 .]" 1
1157 2 5 U H1' 2 5 U H6 3.200 . 4.500 3.610 3.228 3.728 . 0 0 "[ . 1 .]" 1
1158 2 5 U H2' 2 5 U H6 2.900 . 3.900 2.968 2.257 3.921 0.021 4 0 "[ . 1 .]" 1
1159 2 5 U H3' 2 5 U H6 4.200 . 6.000 4.538 4.176 5.369 . 0 0 "[ . 1 .]" 1
1160 2 5 U H5 2 5 U H6 2.800 . 3.800 2.407 2.400 2.415 . 0 0 "[ . 1 .]" 1
1161 2 6 G H1' 2 6 G H2' 3.200 . 4.500 3.068 3.062 3.078 . 0 0 "[ . 1 .]" 1
1162 2 6 G H1' 2 6 G H8 3.400 . 4.800 3.845 3.767 3.882 . 0 0 "[ . 1 .]" 1
1163 2 6 G H2' 2 6 G H8 2.400 . 3.100 2.662 2.011 3.200 0.100 2 0 "[ . 1 .]" 1
1164 2 6 G Q5' 2 6 G H8 3.800 . 5.600 3.362 2.502 4.037 . 0 0 "[ . 1 .]" 1
1165 2 6 G H8 2 7 C H5 3.800 . 5.600 4.707 3.449 6.009 0.409 2 0 "[ . 1 .]" 1
1166 2 7 C H1' 2 7 C H2' 2.700 . 3.600 3.006 2.817 3.077 . 0 0 "[ . 1 .]" 1
1167 2 7 C H2' 2 7 C H5 4.300 . 6.000 4.432 4.135 4.634 . 0 0 "[ . 1 .]" 1
1168 2 7 C H5 2 7 C H6 2.400 . 3.100 2.439 2.434 2.450 . 0 0 "[ . 1 .]" 1
1169 2 7 C H1' 2 7 C H6 3.300 . 4.700 3.704 3.595 3.724 . 0 0 "[ . 1 .]" 1
1170 2 7 C H2' 2 7 C H6 2.000 . 2.500 2.425 1.882 2.737 0.237 11 0 "[ . 1 .]" 1
1171 2 7 C H3' 2 7 C H6 3.900 . 5.800 3.578 1.992 4.358 0.008 15 0 "[ . 1 .]" 1
1172 2 7 C H5'' 2 7 C H6 2.800 . 3.800 2.902 2.088 3.865 0.065 11 0 "[ . 1 .]" 1
1173 1 17 GLY HA2 2 3 U H6 3.700 . 6.000 5.798 4.347 6.111 0.111 7 0 "[ . 1 .]" 1
1174 1 43 ILE MG 2 6 G H8 4.700 . 6.000 5.851 5.519 6.151 0.151 9 0 "[ . 1 .]" 1
1175 1 56 PHE QE 2 6 G H8 3.800 . 5.600 3.726 3.399 4.218 . 0 0 "[ . 1 .]" 1
1176 1 25 LYS QB 1 29 GLU HB2 3.400 . 6.000 4.987 4.743 5.199 . 0 0 "[ . 1 .]" 1
1177 1 24 ASP HA 1 41 VAL HA 3.400 . 4.800 3.444 2.818 3.796 . 0 0 "[ . 1 .]" 1
1178 1 29 GLU HA 1 32 GLU HG2 3.200 . 4.500 2.944 2.437 4.080 . 0 0 "[ . 1 .]" 1
1179 1 27 LEU HA 1 74 PRO HB2 3.500 . 6.000 5.622 5.120 6.086 0.086 15 0 "[ . 1 .]" 1
1180 1 11 THR HA 1 59 MET HB2 2.200 . 2.800 2.252 2.187 2.302 . 0 0 "[ . 1 .]" 1
1181 1 25 LYS HA 1 29 GLU HB3 3.700 . 5.400 4.446 3.662 4.722 . 0 0 "[ . 1 .]" 1
1182 1 25 LYS HA 1 29 GLU HB2 2.400 . 3.100 2.924 2.273 3.171 0.071 4 0 "[ . 1 .]" 1
1183 1 29 GLU HA 1 29 GLU HB3 2.300 . 3.000 2.234 2.177 2.327 . 0 0 "[ . 1 .]" 1
1184 1 23 SER HB3 1 25 LYS QB 2.700 . 3.600 2.668 2.062 3.561 . 0 0 "[ . 1 .]" 1
1185 1 43 ILE HA 1 43 ILE HG12 3.500 . 5.000 2.998 1.965 3.184 0.035 9 0 "[ . 1 .]" 1
1186 1 89 GLY HA2 1 91 LYS HG3 2.700 . 6.000 4.767 3.659 6.658 0.658 11 1 "[ . 1+ .]" 1
1187 1 23 SER HB2 1 25 LYS QG 2.400 . 3.100 2.836 2.367 3.073 . 0 0 "[ . 1 .]" 1
1188 1 22 THR MG 1 25 LYS HA 3.600 . 5.200 3.754 3.008 4.013 . 0 0 "[ . 1 .]" 1
1189 1 17 GLY HA2 1 18 LEU QD 4.100 . 6.000 3.597 2.977 3.941 . 0 0 "[ . 1 .]" 1
1190 1 10 PHE HA 1 85 LEU QD 2.600 . 6.000 2.391 1.744 3.303 . 0 0 "[ . 1 .]" 1
1191 1 8 THR HB 1 58 THR MG 2.700 . 3.600 2.797 2.501 3.327 . 0 0 "[ . 1 .]" 1
1192 1 37 ILE MG 1 40 ALA HA 3.300 . 4.600 3.432 3.268 3.644 . 0 0 "[ . 1 .]" 1
1193 1 47 ASN HB3 1 48 THR MG 2.900 . 3.900 2.872 2.527 3.310 . 0 0 "[ . 1 .]" 1
1194 1 48 THR MG 1 49 GLN QG 3.600 . 5.200 4.497 4.298 4.679 . 0 0 "[ . 1 .]" 1
1195 1 39 GLU HG2 1 41 VAL QG 3.100 . 4.300 2.707 1.886 3.429 0.014 13 0 "[ . 1 .]" 1
1196 1 12 LYS HE3 1 12 LYS HG2 2.900 . 3.900 3.187 2.591 3.743 . 0 0 "[ . 1 .]" 1
1197 1 25 LYS HD2 1 29 GLU HB2 3.400 . 4.900 3.536 3.222 4.394 . 0 0 "[ . 1 .]" 1
1198 1 25 LYS QD 1 25 LYS QE 2.100 . 2.700 1.819 1.780 1.863 . 0 0 "[ . 1 .]" 1
1199 1 61 ASP HB3 1 62 ARG HB3 2.700 . 3.600 2.688 2.213 3.291 . 0 0 "[ . 1 .]" 1
1200 1 61 ASP HB3 1 62 ARG HB3 2.900 . 3.900 2.957 2.311 3.480 . 0 0 "[ . 1 .]" 1
1201 1 6 ARG QD 1 60 LYS QD 3.000 . 6.000 5.386 3.773 6.269 0.269 15 0 "[ . 1 .]" 1
1202 1 12 LYS HE2 1 13 ILE HG13 3.200 . 6.000 5.935 5.271 6.104 0.104 4 0 "[ . 1 .]" 1
1203 1 45 ASP HB3 1 52 ARG HG3 3.400 . 4.900 4.397 3.721 5.333 0.433 7 0 "[ . 1 .]" 1
1204 1 73 ASN HB2 1 80 LYS HB2 3.900 . 5.800 4.326 2.335 5.474 . 0 0 "[ . 1 .]" 1
1205 1 19 PRO HB3 1 19 PRO HG3 2.400 . 3.100 2.289 2.219 2.319 . 0 0 "[ . 1 .]" 1
1206 1 6 ARG HB3 1 6 ARG QD 2.700 . 3.600 2.295 2.081 2.737 . 0 0 "[ . 1 .]" 1
1207 1 38 GLU QG 1 60 LYS QE 2.700 . 3.600 3.126 1.927 3.759 0.159 14 0 "[ . 1 .]" 1
1208 1 70 LYS QE 1 70 LYS HG3 3.000 . 4.100 2.424 2.105 3.016 . 0 0 "[ . 1 .]" 1
1209 1 25 LYS QE 1 25 LYS HG2 3.000 . 4.100 2.393 2.090 2.943 . 0 0 "[ . 1 .]" 1
1210 1 25 LYS QE 1 25 LYS HG2 3.000 . 4.100 2.335 2.085 2.868 . 0 0 "[ . 1 .]" 1
1211 1 12 LYS HE3 1 90 ALA MB 3.000 . 4.200 3.102 1.743 3.962 0.057 2 0 "[ . 1 .]" 1
1212 1 37 ILE MG 1 38 GLU HB2 4.400 . 6.000 4.537 4.390 4.677 . 0 0 "[ . 1 .]" 1
1213 1 15 VAL MG2 1 18 LEU HG 3.400 . 4.900 2.772 2.033 3.328 . 0 0 "[ . 1 .]" 1
1214 1 25 LYS QG 1 27 LEU QD 3.700 . 5.400 4.910 3.262 5.647 0.247 6 0 "[ . 1 .]" 1
1215 1 25 LYS QD 1 25 LYS HG3 2.100 . 2.700 1.910 1.858 1.964 . 0 0 "[ . 1 .]" 1
1216 1 13 ILE HG12 1 67 ARG QG 3.300 . 6.000 5.477 4.686 5.850 . 0 0 "[ . 1 .]" 1
1217 1 75 ILE HG13 1 80 LYS HD2 2.000 . 6.000 5.567 3.438 6.153 0.153 3 0 "[ . 1 .]" 1
1218 1 6 ARG HB2 1 6 ARG HG3 1.600 . 2.200 1.628 1.613 1.655 . 0 0 "[ . 1 .]" 1
1219 1 13 ILE HG12 1 85 LEU QD 3.700 . 5.500 2.679 1.966 3.680 . 0 0 "[ . 1 .]" 1
1220 1 68 ALA HA 1 70 LYS HG2 3.800 . 5.600 5.356 4.070 5.830 0.230 3 0 "[ . 1 .]" 1
1221 1 25 LYS QB 1 25 LYS HG2 2.300 . 2.900 2.067 1.979 2.118 . 0 0 "[ . 1 .]" 1
1222 1 18 LEU HB3 1 18 LEU QD 2.600 . 3.400 1.693 1.628 1.779 0.172 10 0 "[ . 1 .]" 1
1223 1 11 THR MG 1 57 VAL MG1 3.600 . 5.200 5.114 4.813 5.264 0.064 11 0 "[ . 1 .]" 1
1224 1 18 LEU QD 1 42 VAL MG2 2.200 . 6.000 2.898 2.225 3.565 . 0 0 "[ . 1 .]" 1
1225 1 19 PRO HB2 1 22 THR MG 4.000 . 6.000 4.531 4.068 5.584 . 0 0 "[ . 1 .]" 1
1226 1 12 LYS HG3 1 58 THR MG 2.200 . 6.000 3.420 1.813 4.246 . 0 0 "[ . 1 .]" 1
1227 1 12 LYS HD2 1 58 THR MG 2.900 . 3.900 3.437 2.895 3.972 0.072 4 0 "[ . 1 .]" 1
1228 1 38 GLU HB2 1 58 THR MG 2.900 . 3.900 3.420 2.494 3.915 0.015 9 0 "[ . 1 .]" 1
1229 1 39 GLU HB3 1 58 THR MG 2.700 . 6.000 3.747 3.430 4.156 . 0 0 "[ . 1 .]" 1
1230 1 71 ASP HB2 1 74 PRO HB3 3.300 . 4.600 4.322 3.610 5.208 0.608 14 1 "[ . 1 +.]" 1
1231 1 43 ILE HG13 1 54 TYR QE 3.800 . 5.600 2.856 2.008 3.342 . 0 0 "[ . 1 .]" 1
1232 1 43 ILE HG12 1 54 TYR QE 3.600 . 5.200 2.551 1.936 2.950 0.064 11 0 "[ . 1 .]" 1
1233 1 19 PRO HB2 1 77 ASP HA 4.000 . 6.000 3.551 2.837 4.366 . 0 0 "[ . 1 .]" 1
1234 1 46 ARG HB2 1 47 ASN HA 3.500 . 5.000 4.436 4.094 4.942 . 0 0 "[ . 1 .]" 1
1235 1 36 ASP HA 1 59 MET ME 4.200 . 6.000 3.872 3.601 4.105 . 0 0 "[ . 1 .]" 1
1236 1 32 GLU HA 1 32 GLU HG3 3.200 . 4.500 3.633 2.822 3.773 . 0 0 "[ . 1 .]" 1
1237 1 32 GLU HA 1 59 MET ME 3.500 . 5.000 2.927 2.446 3.669 . 0 0 "[ . 1 .]" 1
1238 1 29 GLU HA 1 29 GLU QG 2.600 . 3.500 2.863 2.364 3.031 . 0 0 "[ . 1 .]" 1
1239 1 67 ARG HA 1 67 ARG QG 2.700 . 3.600 2.551 2.209 3.098 . 0 0 "[ . 1 .]" 1
1240 1 9 MET HA 1 87 TYR HB3 3.400 . 4.800 3.496 1.981 4.447 0.019 13 0 "[ . 1 .]" 1
1241 1 37 ILE HA 1 38 GLU HB3 4.500 . 6.000 4.290 4.113 4.557 . 0 0 "[ . 1 .]" 1
1242 1 29 GLU HB3 1 30 TYR HA 3.600 . 5.200 2.967 2.951 2.978 . 0 0 "[ . 1 .]" 1
1243 1 9 MET HA 1 9 MET ME 4.300 . 6.000 3.407 3.250 3.551 . 0 0 "[ . 1 .]" 1
1244 1 27 LEU QD 1 28 HIS HA 3.500 . 5.100 3.553 3.380 3.832 . 0 0 "[ . 1 .]" 1
1245 1 43 ILE HA 1 43 ILE HG13 2.600 . 3.400 2.344 2.123 2.633 . 0 0 "[ . 1 .]" 1
1246 1 11 THR MG 1 62 ARG HA 2.100 . 2.600 1.829 1.709 1.918 . 0 0 "[ . 1 .]" 1
1247 1 15 VAL MG1 1 27 LEU HA 4.900 . 6.000 3.967 3.556 4.201 . 0 0 "[ . 1 .]" 1
1248 1 22 THR MG 1 24 ASP HA 3.700 . 5.400 3.518 1.987 4.003 0.013 9 0 "[ . 1 .]" 1
1249 1 32 GLU HA 1 33 GLN HB2 3.000 . 4.100 2.257 1.973 2.837 . 0 0 "[ . 1 .]" 1
1250 1 32 GLU HA 1 37 ILE MG 3.700 . 5.400 3.820 3.668 4.024 . 0 0 "[ . 1 .]" 1
1251 1 24 ASP HA 1 27 LEU QD 2.800 . 3.800 1.725 1.598 1.798 0.202 15 0 "[ . 1 .]" 1
1252 1 15 VAL HB 1 27 LEU HA 4.000 . 6.000 4.727 3.556 5.160 . 0 0 "[ . 1 .]" 1
1253 1 37 ILE QG 1 39 GLU HA 3.900 . 5.800 4.464 4.073 4.879 . 0 0 "[ . 1 .]" 1
1254 1 10 PHE QD 1 62 ARG HB3 3.700 . 5.500 3.114 2.730 3.310 . 0 0 "[ . 1 .]" 1
1255 1 27 LEU HA 1 31 PHE QE 4.000 . 6.000 3.463 3.142 4.416 . 0 0 "[ . 1 .]" 1
1256 1 30 TYR QE 1 31 PHE QE 4.100 . 6.000 4.416 3.858 5.158 . 0 0 "[ . 1 .]" 1
1257 1 15 VAL HB 1 37 ILE MD 4.200 . 6.000 5.393 4.867 5.752 . 0 0 "[ . 1 .]" 1
1258 1 24 ASP HB3 1 31 PHE HB2 3.000 . 6.000 5.622 5.025 6.123 0.123 2 0 "[ . 1 .]" 1
1259 1 28 HIS HA 1 31 PHE HB3 5.000 . 6.000 4.687 4.282 5.105 . 0 0 "[ . 1 .]" 1
1260 1 27 LEU QD 1 33 GLN HB2 3.700 . 6.000 5.749 5.571 5.997 . 0 0 "[ . 1 .]" 1
1261 1 12 LYS HB2 1 58 THR MG 2.700 . 3.600 3.015 2.045 3.560 . 0 0 "[ . 1 .]" 1
1262 1 32 GLU HB3 1 34 PHE QD 4.200 . 6.000 4.034 2.202 4.890 . 0 0 "[ . 1 .]" 1
1263 1 18 LEU HB2 1 18 LEU QD 2.200 . 2.800 1.608 1.483 1.779 0.117 14 0 "[ . 1 .]" 1
1264 1 9 MET ME 1 62 ARG QG 2.500 . 6.000 5.408 4.878 5.999 . 0 0 "[ . 1 .]" 1
1265 1 10 PHE HB2 1 62 ARG HD3 4.200 . 6.000 5.149 3.514 5.907 . 0 0 "[ . 1 .]" 1
1266 1 10 PHE HB3 1 11 THR MG 3.400 . 4.800 3.563 2.656 3.893 . 0 0 "[ . 1 .]" 1
1267 1 13 ILE MD 1 13 ILE HG12 2.100 . 2.600 2.030 1.908 2.091 . 0 0 "[ . 1 .]" 1
1268 1 12 LYS HE3 1 13 ILE MD 4.100 . 6.000 4.188 3.475 4.835 . 0 0 "[ . 1 .]" 1
1269 1 13 ILE HG13 1 85 LEU QD 3.300 . 4.600 2.789 1.960 3.491 0.040 6 0 "[ . 1 .]" 1
1270 1 13 ILE HG12 1 68 ALA MB 3.400 . 4.800 2.379 1.964 3.054 0.036 1 0 "[ . 1 .]" 1
1271 1 13 ILE HG12 1 57 VAL MG2 4.700 . 6.000 5.966 5.636 6.155 0.155 15 0 "[ . 1 .]" 1
1272 1 12 LYS HD3 1 13 ILE MG 4.100 . 6.000 4.733 4.229 5.171 . 0 0 "[ . 1 .]" 1
1273 1 16 GLY HA2 1 18 LEU HB3 4.100 . 6.000 3.673 2.977 4.088 . 0 0 "[ . 1 .]" 1
1274 1 17 GLY HA3 1 18 LEU HB3 3.000 . 4.100 2.972 2.542 3.413 . 0 0 "[ . 1 .]" 1
1275 1 18 LEU QD 1 19 PRO HB2 4.200 . 6.000 4.521 3.930 5.066 . 0 0 "[ . 1 .]" 1
1276 1 19 PRO HG3 1 22 THR HA 4.600 . 6.000 6.013 5.569 6.213 0.213 12 0 "[ . 1 .]" 1
1277 1 18 LEU HA 1 19 PRO HG3 4.600 . 6.000 4.124 3.950 4.241 . 0 0 "[ . 1 .]" 1
1278 1 20 TYR HA 1 20 TYR QE 4.200 . 6.000 4.173 3.813 4.504 . 0 0 "[ . 1 .]" 1
1279 1 22 THR MG 1 26 THR HA 3.700 . 5.400 3.773 3.015 4.036 . 0 0 "[ . 1 .]" 1
1280 1 15 VAL HB 1 22 THR MG 3.300 . 6.000 5.204 4.882 5.468 . 0 0 "[ . 1 .]" 1
1281 1 26 THR MG 1 33 GLN QB 2.800 . 6.000 5.906 5.441 6.223 0.223 15 0 "[ . 1 .]" 1
1282 1 15 VAL HB 1 27 LEU HB3 3.300 . 6.000 5.472 5.276 6.033 0.033 6 0 "[ . 1 .]" 1
1283 1 15 VAL HB 1 27 LEU HB2 3.200 . 6.000 6.022 5.632 6.160 0.160 5 0 "[ . 1 .]" 1
1284 1 27 LEU QD 1 42 VAL HA 3.000 . 4.100 2.411 1.999 2.862 . 0 0 "[ . 1 .]" 1
1285 1 15 VAL MG2 1 27 LEU QD 2.200 . 2.800 1.566 1.421 1.697 0.179 7 0 "[ . 1 .]" 1
1286 1 27 LEU QD 1 30 TYR HB3 3.700 . 5.400 3.470 3.108 3.747 . 0 0 "[ . 1 .]" 1
1287 1 19 PRO HB3 1 27 LEU QD 3.700 . 6.000 5.873 5.687 6.147 0.147 9 0 "[ . 1 .]" 1
1288 1 19 PRO QD 1 27 LEU QD 3.800 . 5.600 2.396 1.994 2.828 0.006 15 0 "[ . 1 .]" 1
1289 1 31 PHE HA 1 59 MET ME 3.600 . 5.200 3.404 3.252 3.545 . 0 0 "[ . 1 .]" 1
1290 1 31 PHE HA 1 33 GLN HG3 3.800 . 5.600 3.576 3.477 3.686 . 0 0 "[ . 1 .]" 1
1291 1 31 PHE HA 1 33 GLN QB 3.100 . 4.300 3.020 2.679 3.223 . 0 0 "[ . 1 .]" 1
1292 1 32 GLU HA 1 33 GLN HB2 3.100 . 4.300 3.678 2.208 3.988 . 0 0 "[ . 1 .]" 1
1293 1 34 PHE HB2 1 59 MET HG3 4.200 . 6.000 3.939 3.514 4.611 . 0 0 "[ . 1 .]" 1
1294 1 34 PHE QE 1 59 MET ME 3.900 . 5.800 3.434 2.589 3.849 . 0 0 "[ . 1 .]" 1
1295 1 27 LEU HB3 1 37 ILE MD 3.200 . 4.500 3.324 3.052 3.520 . 0 0 "[ . 1 .]" 1
1296 1 36 ASP QB 1 38 GLU QG 4.700 . 6.000 5.587 5.189 5.953 . 0 0 "[ . 1 .]" 1
1297 1 15 VAL HB 1 40 ALA MB 2.800 . 3.800 3.747 3.540 3.850 0.050 6 0 "[ . 1 .]" 1
1298 1 45 ASP HB2 1 52 ARG HA 4.000 . 6.000 3.902 3.752 4.263 . 0 0 "[ . 1 .]" 1
1299 1 45 ASP HB3 1 52 ARG QD 4.000 . 6.000 4.557 3.953 4.793 . 0 0 "[ . 1 .]" 1
1300 1 6 ARG QD 1 60 LYS HG3 3.400 . 4.800 3.958 2.034 4.635 . 0 0 "[ . 1 .]" 1
1301 1 15 VAL MG2 1 16 GLY HA2 3.500 . 5.000 3.525 3.364 3.664 . 0 0 "[ . 1 .]" 1
1302 1 13 ILE HG12 1 59 MET HB3 4.200 . 6.000 4.505 4.181 4.756 . 0 0 "[ . 1 .]" 1
1303 1 59 MET HB3 1 60 LYS HA 3.200 . 4.500 2.743 2.071 3.292 . 0 0 "[ . 1 .]" 1
1304 1 59 MET HB2 1 62 ARG HA 3.600 . 5.300 3.090 2.865 3.262 . 0 0 "[ . 1 .]" 1
1305 1 34 PHE HA 1 59 MET ME 3.600 . 5.300 3.757 3.566 4.230 . 0 0 "[ . 1 .]" 1
1306 1 11 THR HA 1 59 MET ME 3.400 . 4.900 3.134 2.499 4.000 . 0 0 "[ . 1 .]" 1
1307 1 62 ARG HA 1 65 ALA MB 2.000 . 2.500 1.832 1.689 2.004 . 0 0 "[ . 1 .]" 1
1308 1 64 SER HB3 1 68 ALA MB 3.400 . 4.800 4.632 4.324 4.860 0.060 14 0 "[ . 1 .]" 1
1309 1 73 ASN HA 1 74 PRO HB2 4.400 . 6.000 4.296 4.111 4.521 . 0 0 "[ . 1 .]" 1
1310 1 27 LEU HA 1 76 ILE MD 3.600 . 5.200 3.858 3.436 4.354 . 0 0 "[ . 1 .]" 1
1311 1 15 VAL MG2 1 76 ILE MD 3.000 . 4.100 2.709 2.054 3.443 . 0 0 "[ . 1 .]" 1
1312 1 27 LEU HA 1 76 ILE MG 3.200 . 4.400 3.894 3.142 4.638 0.238 13 0 "[ . 1 .]" 1
1313 1 75 ILE HA 1 76 ILE MG 3.900 . 5.800 3.902 3.616 4.084 . 0 0 "[ . 1 .]" 1
1314 1 26 THR MG 1 76 ILE MG 2.100 . 2.600 1.992 1.809 2.087 . 0 0 "[ . 1 .]" 1
1315 1 19 PRO HA 1 79 ARG HG2 2.900 . 3.900 3.177 2.849 3.572 . 0 0 "[ . 1 .]" 1
1316 1 24 ASP HA 1 27 LEU HB3 2.600 . 3.500 2.568 2.501 2.657 . 0 0 "[ . 1 .]" 1
1317 1 24 ASP HA 1 27 LEU HB2 2.500 . 3.300 2.194 2.089 2.270 . 0 0 "[ . 1 .]" 1
1318 1 25 LYS QE 1 25 LYS HG3 2.600 . 3.400 2.060 1.947 2.252 . 0 0 "[ . 1 .]" 1
1319 1 13 ILE HG12 1 83 VAL HB 4.400 . 6.000 4.803 3.892 5.619 . 0 0 "[ . 1 .]" 1
1320 1 13 ILE HA 1 83 VAL MG1 2.400 . 3.100 2.665 1.961 3.199 0.099 9 0 "[ . 1 .]" 1
1321 1 14 PHE HA 1 83 VAL MG1 3.000 . 4.100 3.370 2.740 3.927 . 0 0 "[ . 1 .]" 1
1322 1 14 PHE HB2 1 83 VAL MG1 3.400 . 4.800 3.652 3.083 4.209 . 0 0 "[ . 1 .]" 1
1323 1 12 LYS HE2 1 83 VAL QG 3.000 . 6.000 5.542 4.675 6.444 0.444 7 0 "[ . 1 .]" 1
1324 1 15 VAL HB 1 83 VAL MG2 2.800 . 3.800 3.068 2.359 3.694 . 0 0 "[ . 1 .]" 1
1325 1 69 CYS HB3 1 83 VAL MG1 3.900 . 5.800 4.278 3.970 4.748 . 0 0 "[ . 1 .]" 1
1326 1 45 ASP HB2 1 50 LYS HE3 2.900 . 6.000 5.624 3.261 6.938 0.938 7 4 "[ . + 1 ** -]" 1
1327 1 50 LYS HE2 1 50 LYS QG 2.800 . 3.800 2.138 2.024 2.295 . 0 0 "[ . 1 .]" 1
1328 1 36 ASP HB2 1 60 LYS HG2 3.400 . 4.900 3.866 2.610 4.316 . 0 0 "[ . 1 .]" 1
1329 1 36 ASP HB3 1 60 LYS QG 3.300 . 4.600 3.359 2.573 4.170 . 0 0 "[ . 1 .]" 1
1330 1 12 LYS HG3 1 85 LEU QD 3.300 . 4.600 3.767 2.886 4.191 . 0 0 "[ . 1 .]" 1
1331 1 60 LYS HB2 1 60 LYS QG 2.300 . 3.000 2.085 1.950 2.128 . 0 0 "[ . 1 .]" 1
1332 1 59 MET HB2 1 85 LEU QD 2.900 . 6.000 4.044 3.317 4.549 . 0 0 "[ . 1 .]" 1
1333 1 62 ARG HD3 1 65 ALA HA 4.300 . 6.000 4.630 4.152 5.061 . 0 0 "[ . 1 .]" 1
1334 1 12 LYS HE3 1 86 ALA MB 2.600 . 3.500 2.310 1.680 3.142 0.020 14 0 "[ . 1 .]" 1
1335 1 12 LYS HG2 1 86 ALA MB 2.700 . 3.600 2.364 1.604 3.726 0.196 2 0 "[ . 1 .]" 1
1336 1 8 THR MG 1 86 ALA MB 2.800 . 6.000 5.858 4.854 6.246 0.246 15 0 "[ . 1 .]" 1
1337 1 12 LYS HD2 1 88 LEU MD1 2.700 . 6.000 5.798 5.480 6.109 0.109 11 0 "[ . 1 .]" 1
1338 1 18 LEU HB2 1 18 LEU QD 2.000 . 2.500 1.556 1.454 1.690 0.046 14 0 "[ . 1 .]" 1
1339 1 87 TYR HB3 1 90 ALA MB 3.200 . 4.500 3.889 2.201 4.690 0.190 4 0 "[ . 1 .]" 1
1340 1 58 THR MG 1 90 ALA MB 2.600 . 6.000 5.713 5.053 6.261 0.261 2 0 "[ . 1 .]" 1
1341 1 85 LEU QB 1 90 ALA MB 2.600 . 6.000 5.921 5.691 6.189 0.189 14 0 "[ . 1 .]" 1
1342 1 25 LYS HG2 1 28 HIS QB 4.300 . 6.000 4.648 3.787 5.305 . 0 0 "[ . 1 .]" 1
1343 1 14 PHE HA 1 30 TYR QD 4.400 . 6.000 5.765 5.010 6.104 0.104 15 0 "[ . 1 .]" 1
1344 2 6 G H1' 2 6 G H2' 3.900 . 5.800 2.962 2.951 2.977 . 0 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 192
_Distance_constraint_stats_list.Viol_total 62.123
_Distance_constraint_stats_list.Viol_max 0.191
_Distance_constraint_stats_list.Viol_rms 0.0167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 13 ILE 0.227 0.064 15 0 "[ . 1 .]"
1 14 PHE 0.162 0.025 12 0 "[ . 1 .]"
1 15 VAL 0.056 0.020 14 0 "[ . 1 .]"
1 16 GLY 1.144 0.191 12 0 "[ . 1 .]"
1 23 SER 0.294 0.061 15 0 "[ . 1 .]"
1 24 ASP 0.012 0.012 15 0 "[ . 1 .]"
1 25 LYS 0.058 0.024 15 0 "[ . 1 .]"
1 26 THR 0.074 0.044 15 0 "[ . 1 .]"
1 27 LEU 0.297 0.061 15 0 "[ . 1 .]"
1 28 HIS 0.079 0.018 14 0 "[ . 1 .]"
1 29 GLU 0.058 0.024 15 0 "[ . 1 .]"
1 30 TYR 0.074 0.044 15 0 "[ . 1 .]"
1 31 PHE 0.004 0.004 7 0 "[ . 1 .]"
1 32 GLU 0.068 0.018 14 0 "[ . 1 .]"
1 39 GLU 0.145 0.035 7 0 "[ . 1 .]"
1 41 VAL 0.268 0.049 7 0 "[ . 1 .]"
1 55 GLY 0.056 0.020 14 0 "[ . 1 .]"
1 56 PHE 0.268 0.049 7 0 "[ . 1 .]"
1 57 VAL 0.227 0.064 15 0 "[ . 1 .]"
1 58 THR 0.145 0.035 7 0 "[ . 1 .]"
1 61 ASP 0.303 0.047 7 0 "[ . 1 .]"
1 62 ARG 0.324 0.040 7 0 "[ . 1 .]"
1 63 ALA 0.051 0.021 14 0 "[ . 1 .]"
1 64 SER 0.008 0.006 10 0 "[ . 1 .]"
1 65 ALA 0.421 0.047 7 0 "[ . 1 .]"
1 66 GLU 0.480 0.040 7 0 "[ . 1 .]"
1 67 ARG 0.051 0.021 14 0 "[ . 1 .]"
1 68 ALA 0.008 0.006 10 0 "[ . 1 .]"
1 69 CYS 0.117 0.043 8 0 "[ . 1 .]"
1 70 LYS 0.157 0.036 1 0 "[ . 1 .]"
1 74 PRO 0.102 0.035 9 0 "[ . 1 .]"
1 76 ILE 0.569 0.054 1 0 "[ . 1 .]"
1 79 ARG 0.569 0.054 1 0 "[ . 1 .]"
1 81 ALA 0.102 0.035 9 0 "[ . 1 .]"
1 82 ASN 1.144 0.191 12 0 "[ . 1 .]"
1 84 ASN 0.162 0.025 12 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 ILE N 1 57 VAL O 2.740 2.740 3.240 2.781 2.676 3.125 0.064 15 0 "[ . 1 .]" 2
2 1 13 ILE H 1 57 VAL O 1.790 . 2.290 1.849 1.783 2.154 0.007 2 0 "[ . 1 .]" 2
3 1 14 PHE N 1 84 ASN O 2.740 2.740 3.240 2.798 2.715 3.155 0.025 12 0 "[ . 1 .]" 2
4 1 14 PHE H 1 84 ASN O 1.790 . 2.290 1.900 1.768 2.298 0.022 9 0 "[ . 1 .]" 2
5 1 15 VAL N 1 55 GLY O 2.740 2.740 3.240 2.996 2.723 3.220 0.017 6 0 "[ . 1 .]" 2
6 1 15 VAL H 1 55 GLY O 1.790 . 2.290 2.099 1.876 2.299 0.009 9 0 "[ . 1 .]" 2
7 1 16 GLY N 1 82 ASN O 2.740 2.740 3.240 2.804 2.692 2.941 0.048 15 0 "[ . 1 .]" 2
8 1 16 GLY H 1 82 ASN O 1.790 . 2.290 2.326 2.075 2.481 0.191 12 0 "[ . 1 .]" 2
9 1 23 SER O 1 27 LEU N 2.740 2.740 3.240 3.181 2.950 3.276 0.036 15 0 "[ . 1 .]" 2
10 1 23 SER O 1 27 LEU H 1.790 . 2.290 2.242 1.988 2.351 0.061 15 0 "[ . 1 .]" 2
11 1 24 ASP O 1 28 HIS N 2.740 2.740 3.240 2.987 2.763 3.252 0.012 15 0 "[ . 1 .]" 2
12 1 24 ASP O 1 28 HIS H 1.790 . 2.290 2.070 1.796 2.270 . 0 0 "[ . 1 .]" 2
13 1 25 LYS O 1 29 GLU N 2.740 2.740 3.240 2.861 2.716 3.087 0.024 15 0 "[ . 1 .]" 2
14 1 25 LYS O 1 29 GLU H 1.790 . 2.290 1.950 1.777 2.311 0.021 13 0 "[ . 1 .]" 2
15 1 26 THR O 1 30 TYR N 2.740 2.740 3.240 3.041 2.865 3.197 . 0 0 "[ . 1 .]" 2
16 1 26 THR O 1 30 TYR H 1.790 . 2.290 2.145 1.955 2.334 0.044 15 0 "[ . 1 .]" 2
17 1 27 LEU O 1 31 PHE N 2.740 2.740 3.240 2.894 2.758 3.021 . 0 0 "[ . 1 .]" 2
18 1 27 LEU O 1 31 PHE H 1.790 . 2.290 2.087 1.927 2.294 0.004 7 0 "[ . 1 .]" 2
19 1 28 HIS O 1 32 GLU N 2.740 2.740 3.240 3.086 2.892 3.252 0.012 15 0 "[ . 1 .]" 2
20 1 28 HIS O 1 32 GLU H 1.790 . 2.290 2.169 1.957 2.308 0.018 14 0 "[ . 1 .]" 2
21 1 39 GLU N 1 58 THR O 2.740 2.740 3.240 2.955 2.724 3.197 0.016 9 0 "[ . 1 .]" 2
22 1 39 GLU H 1 58 THR O 1.790 . 2.290 2.018 1.816 2.239 . 0 0 "[ . 1 .]" 2
23 1 41 VAL N 1 56 PHE O 2.740 2.740 3.240 2.961 2.745 3.205 . 0 0 "[ . 1 .]" 2
24 1 41 VAL H 1 56 PHE O 1.790 . 2.290 2.047 1.853 2.299 0.009 8 0 "[ . 1 .]" 2
25 1 15 VAL O 1 55 GLY N 2.740 2.740 3.240 2.860 2.720 3.209 0.020 14 0 "[ . 1 .]" 2
26 1 15 VAL O 1 55 GLY H 1.790 . 2.290 1.959 1.813 2.262 . 0 0 "[ . 1 .]" 2
27 1 41 VAL O 1 56 PHE N 2.740 2.740 3.240 2.752 2.707 2.813 0.033 8 0 "[ . 1 .]" 2
28 1 41 VAL O 1 56 PHE H 1.790 . 2.290 1.971 1.788 2.339 0.049 7 0 "[ . 1 .]" 2
29 1 13 ILE O 1 57 VAL N 2.740 2.740 3.240 2.945 2.756 3.146 . 0 0 "[ . 1 .]" 2
30 1 13 ILE O 1 57 VAL H 1.790 . 2.290 1.999 1.787 2.297 0.007 2 0 "[ . 1 .]" 2
31 1 39 GLU O 1 58 THR N 2.740 2.740 3.240 2.857 2.731 3.205 0.009 7 0 "[ . 1 .]" 2
32 1 39 GLU O 1 58 THR H 1.790 . 2.290 1.911 1.755 2.303 0.035 7 0 "[ . 1 .]" 2
33 1 61 ASP O 1 65 ALA N 2.740 2.740 3.240 3.179 3.064 3.281 0.041 14 0 "[ . 1 .]" 2
34 1 61 ASP O 1 65 ALA H 1.790 . 2.290 2.285 2.117 2.337 0.047 7 0 "[ . 1 .]" 2
35 1 62 ARG O 1 66 GLU N 2.740 2.740 3.240 2.737 2.711 2.821 0.029 7 0 "[ . 1 .]" 2
36 1 62 ARG O 1 66 GLU H 1.790 . 2.290 1.809 1.750 2.101 0.040 7 0 "[ . 1 .]" 2
37 1 63 ALA O 1 67 ARG N 2.740 2.740 3.240 3.030 2.735 3.261 0.021 14 0 "[ . 1 .]" 2
38 1 63 ALA O 1 67 ARG H 1.790 . 2.290 2.113 1.829 2.303 0.013 14 0 "[ . 1 .]" 2
39 1 64 SER O 1 68 ALA N 2.740 2.740 3.240 2.914 2.734 3.151 0.006 10 0 "[ . 1 .]" 2
40 1 64 SER O 1 68 ALA H 1.790 . 2.290 1.951 1.789 2.215 0.001 3 0 "[ . 1 .]" 2
41 1 65 ALA O 1 69 CYS N 2.740 2.740 3.240 3.039 2.807 3.206 . 0 0 "[ . 1 .]" 2
42 1 65 ALA O 1 69 CYS H 1.790 . 2.290 2.144 1.862 2.333 0.043 8 0 "[ . 1 .]" 2
43 1 66 GLU O 1 70 LYS N 2.740 2.740 3.240 2.853 2.729 2.985 0.011 15 0 "[ . 1 .]" 2
44 1 66 GLU O 1 70 LYS H 1.790 . 2.290 2.133 1.762 2.326 0.036 1 0 "[ . 1 .]" 2
45 1 76 ILE N 1 79 ARG O 2.740 2.740 3.240 2.747 2.719 2.827 0.021 15 0 "[ . 1 .]" 2
46 1 76 ILE H 1 79 ARG O 1.790 . 2.290 2.039 1.759 2.344 0.054 1 0 "[ . 1 .]" 2
47 1 76 ILE O 1 79 ARG N 2.740 2.740 3.240 2.968 2.700 3.254 0.040 15 0 "[ . 1 .]" 2
48 1 76 ILE O 1 79 ARG H 1.790 . 2.290 2.074 1.764 2.323 0.033 13 0 "[ . 1 .]" 2
49 1 74 PRO O 1 81 ALA N 2.740 2.740 3.240 2.952 2.742 3.197 . 0 0 "[ . 1 .]" 2
50 1 74 PRO O 1 81 ALA H 1.790 . 2.290 2.109 1.838 2.325 0.035 9 0 "[ . 1 .]" 2
stop_
save_
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