NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
428662 |
2ife   |
4394 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ife
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 1132
_Distance_constraint_stats_list.Viol_count 3831
_Distance_constraint_stats_list.Viol_total 10131.426
_Distance_constraint_stats_list.Viol_max 0.660
_Distance_constraint_stats_list.Viol_rms 0.0525
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.1102
_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 10 VAL 6.710 0.407 23 0 "[ . 1 . 2 ]"
1 11 ILE 7.409 0.409 4 0 "[ . 1 . 2 ]"
1 12 GLN 8.517 0.216 7 0 "[ . 1 . 2 ]"
1 13 VAL 2.457 0.085 11 0 "[ . 1 . 2 ]"
1 14 LYS 6.077 0.158 18 0 "[ . 1 . 2 ]"
1 15 GLU 13.355 0.179 14 0 "[ . 1 . 2 ]"
1 16 ILE 4.099 0.179 14 0 "[ . 1 . 2 ]"
1 17 LYS 0.620 0.060 13 0 "[ . 1 . 2 ]"
1 18 PHE 15.447 0.275 17 0 "[ . 1 . 2 ]"
1 19 ARG 1.615 0.149 20 0 "[ . 1 . 2 ]"
1 20 PRO 1.615 0.149 20 0 "[ . 1 . 2 ]"
1 21 GLY 5.666 0.322 23 0 "[ . 1 . 2 ]"
1 22 THR 10.293 0.322 23 0 "[ . 1 . 2 ]"
1 23 ASP 10.700 0.541 5 1 "[ + 1 . 2 ]"
1 24 GLU 1.194 0.066 21 0 "[ . 1 . 2 ]"
1 25 GLY 0.827 0.167 15 0 "[ . 1 . 2 ]"
1 26 ASP 6.635 0.251 24 0 "[ . 1 . 2 ]"
1 27 TYR 10.355 0.251 24 0 "[ . 1 . 2 ]"
1 28 GLN 20.707 0.292 22 0 "[ . 1 . 2 ]"
1 29 VAL 6.537 0.199 14 0 "[ . 1 . 2 ]"
1 30 LYS 15.349 0.362 14 0 "[ . 1 . 2 ]"
1 31 LEU 1.106 0.104 11 0 "[ . 1 . 2 ]"
1 32 ARG 1.756 0.072 23 0 "[ . 1 . 2 ]"
1 33 SER 17.554 0.362 14 0 "[ . 1 . 2 ]"
1 34 LEU 8.764 0.398 1 0 "[ . 1 . 2 ]"
1 35 ILE 3.334 0.141 17 0 "[ . 1 . 2 ]"
1 36 ARG 3.806 0.190 18 0 "[ . 1 . 2 ]"
1 37 PHE 7.488 0.194 16 0 "[ . 1 . 2 ]"
1 38 LEU 9.778 0.409 13 0 "[ . 1 . 2 ]"
1 39 GLU 1.779 0.073 10 0 "[ . 1 . 2 ]"
1 40 GLU 2.273 0.194 16 0 "[ . 1 . 2 ]"
1 41 GLY 3.889 0.138 21 0 "[ . 1 . 2 ]"
1 42 ASP 11.766 0.216 7 0 "[ . 1 . 2 ]"
1 43 LYS 3.770 0.182 13 0 "[ . 1 . 2 ]"
1 44 ALA 8.791 0.660 22 11 "[ *** ** - ** * + *]"
1 45 LYS 4.544 0.244 18 0 "[ . 1 . 2 ]"
1 46 ILE 4.058 0.136 6 0 "[ . 1 . 2 ]"
1 47 THR 5.517 0.279 16 0 "[ . 1 . 2 ]"
1 48 LEU 3.511 0.192 9 0 "[ . 1 . 2 ]"
1 49 ARG 0.154 0.045 14 0 "[ . 1 . 2 ]"
1 50 PHE 8.030 0.252 8 0 "[ . 1 . 2 ]"
1 51 ARG 3.961 0.429 5 0 "[ . 1 . 2 ]"
1 52 GLY 5.759 0.429 5 0 "[ . 1 . 2 ]"
1 53 ARG 7.067 0.418 7 0 "[ . 1 . 2 ]"
1 54 GLU 1.745 0.418 7 0 "[ . 1 . 2 ]"
1 56 ALA 2.635 0.379 1 0 "[ . 1 . 2 ]"
1 57 HIS 11.236 0.483 24 0 "[ . 1 . 2 ]"
1 58 GLN 2.307 0.239 20 0 "[ . 1 . 2 ]"
1 59 GLN 4.503 0.239 20 0 "[ . 1 . 2 ]"
1 60 ILE 14.650 0.519 9 1 "[ . +1 . 2 ]"
1 61 GLY 5.779 0.519 9 1 "[ . +1 . 2 ]"
1 62 MET 14.597 0.356 8 0 "[ . 1 . 2 ]"
1 63 GLU 12.531 0.274 11 0 "[ . 1 . 2 ]"
1 64 VAL 7.298 0.191 9 0 "[ . 1 . 2 ]"
1 65 LEU 13.881 0.274 11 0 "[ . 1 . 2 ]"
1 66 ASN 32.797 0.461 7 0 "[ . 1 . 2 ]"
1 67 ARG 36.468 0.461 7 0 "[ . 1 . 2 ]"
1 68 VAL 6.427 0.243 13 0 "[ . 1 . 2 ]"
1 69 LYS 4.100 0.117 15 0 "[ . 1 . 2 ]"
1 70 ASP 11.146 0.332 24 0 "[ . 1 . 2 ]"
1 71 ASP 19.276 0.351 24 0 "[ . 1 . 2 ]"
1 72 LEU 9.449 0.172 10 0 "[ . 1 . 2 ]"
1 73 GLN 14.007 0.307 14 0 "[ . 1 . 2 ]"
1 74 GLU 22.543 0.307 14 0 "[ . 1 . 2 ]"
1 75 LEU 7.496 0.164 10 0 "[ . 1 . 2 ]"
1 76 ALA 7.563 0.226 10 0 "[ . 1 . 2 ]"
1 77 VAL 3.631 0.183 24 0 "[ . 1 . 2 ]"
1 78 VAL 7.600 0.333 24 0 "[ . 1 . 2 ]"
1 79 GLU 2.109 0.164 21 0 "[ . 1 . 2 ]"
1 80 SER 9.236 0.213 5 0 "[ . 1 . 2 ]"
1 81 PHE 13.065 0.327 9 0 "[ . 1 . 2 ]"
1 82 PRO 7.891 0.359 16 0 "[ . 1 . 2 ]"
1 83 THR 9.672 0.515 17 2 "[ . 1 . + 2- ]"
1 84 LYS 5.206 0.515 17 2 "[ . 1 . + 2- ]"
1 85 ILE 8.343 0.260 9 0 "[ . 1 . 2 ]"
1 86 GLU 5.120 0.260 9 0 "[ . 1 . 2 ]"
1 87 GLY 3.059 0.209 3 0 "[ . 1 . 2 ]"
1 88 ARG 7.184 0.209 3 0 "[ . 1 . 2 ]"
1 89 GLN 4.523 0.227 16 0 "[ . 1 . 2 ]"
1 90 MET 12.203 0.406 18 0 "[ . 1 . 2 ]"
1 91 ILE 8.892 0.279 16 0 "[ . 1 . 2 ]"
1 92 MET 5.480 0.255 5 0 "[ . 1 . 2 ]"
1 93 VAL 11.374 0.359 16 0 "[ . 1 . 2 ]"
1 94 LEU 13.520 0.660 22 11 "[ *** ** - ** * + *]"
1 95 ALA 7.439 0.409 13 0 "[ . 1 . 2 ]"
1 96 PRO 0.002 0.002 3 0 "[ . 1 . 2 ]"
1 97 LYS 2.907 0.161 22 0 "[ . 1 . 2 ]"
1 98 LYS 0.079 0.053 13 0 "[ . 1 . 2 ]"
1 99 LYS 0.088 0.053 13 0 "[ . 1 . 2 ]"
1 100 GLN 0.009 0.009 11 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 VAL HA 1 11 ILE H 2.500 . 2.500 2.749 2.526 2.907 0.407 23 0 "[ . 1 . 2 ]" 1
2 1 10 VAL HB 1 11 ILE H 5.000 . 5.000 3.154 1.716 4.190 0.084 3 0 "[ . 1 . 2 ]" 1
3 1 10 VAL MG1 1 11 ILE H 3.500 . 3.500 3.044 3.017 3.072 . 0 0 "[ . 1 . 2 ]" 1
4 1 10 VAL MG2 1 11 ILE H 3.500 . 3.500 2.955 2.847 3.037 . 0 0 "[ . 1 . 2 ]" 1
5 1 11 ILE H 1 11 ILE HB 2.500 . 2.500 2.502 2.356 2.909 0.409 4 0 "[ . 1 . 2 ]" 1
6 1 11 ILE H 1 11 ILE MD 4.000 . 4.000 3.296 1.748 3.387 0.052 4 0 "[ . 1 . 2 ]" 1
7 1 11 ILE HA 1 11 ILE MG 3.000 . 3.000 2.397 2.075 2.475 . 0 0 "[ . 1 . 2 ]" 1
8 1 11 ILE HA 1 12 GLN H 2.500 . 2.500 2.137 2.052 2.508 0.008 4 0 "[ . 1 . 2 ]" 1
9 1 11 ILE MD 1 12 GLN QE 5.500 . 5.500 4.149 4.089 4.189 . 0 0 "[ . 1 . 2 ]" 1
10 1 11 ILE MG 1 12 GLN H 3.500 . 3.500 2.831 2.677 2.959 . 0 0 "[ . 1 . 2 ]" 1
11 1 11 ILE MG 1 42 ASP HA 3.500 . 3.500 2.263 2.077 2.462 . 0 0 "[ . 1 . 2 ]" 1
12 1 11 ILE MD 1 42 ASP HA 5.000 . 5.000 3.232 2.904 4.334 . 0 0 "[ . 1 . 2 ]" 1
13 1 11 ILE MD 1 43 LYS H 5.500 . 5.500 4.611 4.199 4.746 . 0 0 "[ . 1 . 2 ]" 1
14 1 11 ILE MG 1 43 LYS H 5.000 . 5.000 2.693 2.474 4.011 . 0 0 "[ . 1 . 2 ]" 1
15 1 12 GLN HA 1 12 GLN HB3 2.500 . 2.500 2.462 2.426 2.512 0.012 19 0 "[ . 1 . 2 ]" 1
16 1 12 GLN HA 1 12 GLN HB2 3.000 . 3.000 3.037 3.014 3.045 0.045 19 0 "[ . 1 . 2 ]" 1
17 1 12 GLN H 1 12 GLN HB2 2.500 . 2.500 2.471 2.252 2.543 0.043 15 0 "[ . 1 . 2 ]" 1
18 1 12 GLN H 1 12 GLN HG3 3.500 . 3.500 2.788 2.186 3.646 0.146 19 0 "[ . 1 . 2 ]" 1
19 1 12 GLN H 1 12 GLN HG2 3.500 . 3.500 3.104 2.092 3.684 0.184 19 0 "[ . 1 . 2 ]" 1
20 1 12 GLN HA 1 13 VAL H 2.500 . 2.500 2.518 2.473 2.549 0.049 14 0 "[ . 1 . 2 ]" 1
21 1 12 GLN HB3 1 13 VAL H 3.500 . 3.500 2.603 2.374 2.799 . 0 0 "[ . 1 . 2 ]" 1
22 1 12 GLN HB2 1 13 VAL H 3.500 . 3.500 3.487 3.296 3.585 0.085 11 0 "[ . 1 . 2 ]" 1
23 1 12 GLN QG 1 13 VAL H 5.000 . 5.000 4.299 3.839 4.501 . 0 0 "[ . 1 . 2 ]" 1
24 1 12 GLN H 1 42 ASP H 5.000 . 5.000 5.149 5.103 5.216 0.216 7 0 "[ . 1 . 2 ]" 1
25 1 12 GLN H 1 42 ASP HA 5.000 . 5.000 2.356 2.258 2.487 . 0 0 "[ . 1 . 2 ]" 1
26 1 12 GLN H 1 42 ASP HB3 5.000 . 5.000 3.326 2.997 3.655 . 0 0 "[ . 1 . 2 ]" 1
27 1 12 GLN H 1 42 ASP HB2 5.000 . 5.000 4.723 4.490 4.961 . 0 0 "[ . 1 . 2 ]" 1
28 1 12 GLN H 1 43 LYS H 5.000 . 5.000 3.472 3.140 3.837 . 0 0 "[ . 1 . 2 ]" 1
29 1 13 VAL H 1 13 VAL HB 2.500 . 2.500 2.549 2.475 2.582 0.082 18 0 "[ . 1 . 2 ]" 1
30 1 13 VAL H 1 13 VAL MG2 4.000 . 4.000 2.933 2.781 3.124 . 0 0 "[ . 1 . 2 ]" 1
31 1 13 VAL HA 1 13 VAL MG1 3.000 . 3.000 2.256 2.165 2.459 . 0 0 "[ . 1 . 2 ]" 1
32 1 13 VAL HA 1 13 VAL MG2 3.000 . 3.000 2.207 1.977 2.314 . 0 0 "[ . 1 . 2 ]" 1
33 1 13 VAL HA 1 14 LYS H 2.500 . 2.500 2.265 2.130 2.421 . 0 0 "[ . 1 . 2 ]" 1
34 1 13 VAL MG1 1 14 LYS H 4.000 . 4.000 2.885 2.754 3.079 . 0 0 "[ . 1 . 2 ]" 1
35 1 13 VAL MG2 1 14 LYS H 5.500 . 5.500 3.949 3.646 4.248 . 0 0 "[ . 1 . 2 ]" 1
36 1 13 VAL HA 1 43 LYS H 5.000 . 5.000 3.140 2.926 3.258 . 0 0 "[ . 1 . 2 ]" 1
37 1 13 VAL HA 1 43 LYS QB 5.000 . 5.000 3.083 2.295 3.978 . 0 0 "[ . 1 . 2 ]" 1
38 1 13 VAL MG1 1 43 LYS H 5.500 . 5.500 4.699 4.641 4.778 . 0 0 "[ . 1 . 2 ]" 1
39 1 13 VAL MG2 1 43 LYS H 5.500 . 5.500 4.209 3.571 4.504 . 0 0 "[ . 1 . 2 ]" 1
40 1 13 VAL MG1 1 43 LYS QB 5.500 . 5.500 3.963 3.180 4.175 . 0 0 "[ . 1 . 2 ]" 1
41 1 13 VAL MG2 1 43 LYS QB 5.500 . 5.500 3.075 2.141 3.753 . 0 0 "[ . 1 . 2 ]" 1
42 1 13 VAL MG1 1 45 LYS H 5.500 . 5.500 3.149 2.844 3.568 . 0 0 "[ . 1 . 2 ]" 1
43 1 13 VAL MG2 1 45 LYS H 5.500 . 5.500 4.762 4.714 4.821 . 0 0 "[ . 1 . 2 ]" 1
44 1 13 VAL MG1 1 45 LYS QB 5.500 . 5.500 2.643 2.130 3.645 . 0 0 "[ . 1 . 2 ]" 1
45 1 13 VAL MG1 1 45 LYS QG 5.500 . 5.500 3.319 2.011 4.138 . 0 0 "[ . 1 . 2 ]" 1
46 1 13 VAL MG1 1 45 LYS QD 5.500 . 5.500 2.708 2.033 3.930 . 0 0 "[ . 1 . 2 ]" 1
47 1 13 VAL MG1 1 45 LYS QE 5.500 . 5.500 2.930 2.025 4.100 . 0 0 "[ . 1 . 2 ]" 1
48 1 14 LYS HA 1 14 LYS HB3 2.500 . 2.500 2.380 2.356 2.413 . 0 0 "[ . 1 . 2 ]" 1
49 1 14 LYS H 1 14 LYS QG 2.500 . 2.500 2.374 2.316 2.420 . 0 0 "[ . 1 . 2 ]" 1
50 1 14 LYS HA 1 15 GLU H 2.500 . 2.500 2.553 2.517 2.588 0.088 4 0 "[ . 1 . 2 ]" 1
51 1 14 LYS HB3 1 15 GLU H 3.000 . 3.000 2.290 2.112 2.478 . 0 0 "[ . 1 . 2 ]" 1
52 1 14 LYS HB2 1 15 GLU H 3.000 . 3.000 3.088 3.051 3.133 0.133 5 0 "[ . 1 . 2 ]" 1
53 1 14 LYS H 1 37 PHE QD 5.000 . 5.000 4.638 4.506 4.753 . 0 0 "[ . 1 . 2 ]" 1
54 1 14 LYS QB 1 37 PHE QE 5.000 . 5.000 2.773 2.460 3.249 . 0 0 "[ . 1 . 2 ]" 1
55 1 14 LYS H 1 42 ASP HA 5.000 . 5.000 5.012 4.496 5.155 0.155 21 0 "[ . 1 . 2 ]" 1
56 1 14 LYS H 1 42 ASP HB3 5.000 . 5.000 2.810 2.221 3.030 . 0 0 "[ . 1 . 2 ]" 1
57 1 14 LYS H 1 42 ASP HB2 5.000 . 5.000 3.530 3.205 3.868 . 0 0 "[ . 1 . 2 ]" 1
58 1 14 LYS H 1 43 LYS H 5.000 . 5.000 3.396 2.970 3.726 . 0 0 "[ . 1 . 2 ]" 1
59 1 14 LYS H 1 43 LYS HA 5.000 . 5.000 5.057 4.960 5.158 0.158 18 0 "[ . 1 . 2 ]" 1
60 1 14 LYS H 1 43 LYS QB 5.000 . 5.000 4.152 3.155 4.568 . 0 0 "[ . 1 . 2 ]" 1
61 1 14 LYS H 1 43 LYS QD 5.000 . 5.000 4.560 4.458 4.723 . 0 0 "[ . 1 . 2 ]" 1
62 1 14 LYS H 1 43 LYS QE 5.000 . 5.000 4.602 4.372 4.753 . 0 0 "[ . 1 . 2 ]" 1
63 1 14 LYS H 1 44 ALA HA 5.000 . 5.000 2.683 2.097 3.265 . 0 0 "[ . 1 . 2 ]" 1
64 1 14 LYS H 1 44 ALA MB 5.500 . 5.500 4.144 3.461 4.668 . 0 0 "[ . 1 . 2 ]" 1
65 1 14 LYS H 1 45 LYS H 5.000 . 5.000 3.933 3.304 4.355 . 0 0 "[ . 1 . 2 ]" 1
66 1 15 GLU H 1 15 GLU HB2 3.000 . 3.000 2.921 2.714 3.039 0.039 14 0 "[ . 1 . 2 ]" 1
67 1 15 GLU H 1 15 GLU HB3 2.500 . 2.500 2.625 2.569 2.662 0.162 5 0 "[ . 1 . 2 ]" 1
68 1 15 GLU HA 1 15 GLU HB2 2.500 . 2.500 2.569 2.561 2.583 0.083 6 0 "[ . 1 . 2 ]" 1
69 1 15 GLU HA 1 15 GLU HB3 3.000 . 3.000 2.977 2.956 2.997 . 0 0 "[ . 1 . 2 ]" 1
70 1 15 GLU HA 1 16 ILE H 2.500 . 2.500 2.344 2.211 2.433 . 0 0 "[ . 1 . 2 ]" 1
71 1 15 GLU HB2 1 16 ILE H 5.000 . 5.000 4.139 4.062 4.198 . 0 0 "[ . 1 . 2 ]" 1
72 1 15 GLU HB3 1 16 ILE H 3.500 . 3.500 3.645 3.619 3.679 0.179 14 0 "[ . 1 . 2 ]" 1
73 1 15 GLU QG 1 16 ILE H 5.000 . 5.000 2.363 2.306 2.437 . 0 0 "[ . 1 . 2 ]" 1
74 1 15 GLU H 1 37 PHE QE 5.000 . 5.000 3.843 3.292 4.457 . 0 0 "[ . 1 . 2 ]" 1
75 1 15 GLU HA 1 45 LYS H 5.000 . 5.000 2.207 1.978 2.511 . 0 0 "[ . 1 . 2 ]" 1
76 1 15 GLU HA 1 45 LYS QB 3.500 . 3.500 2.998 2.564 3.184 . 0 0 "[ . 1 . 2 ]" 1
77 1 15 GLU HA 1 45 LYS QG 5.000 . 5.000 4.367 3.815 4.512 . 0 0 "[ . 1 . 2 ]" 1
78 1 15 GLU HB3 1 45 LYS H 5.000 . 5.000 5.064 4.944 5.158 0.158 14 0 "[ . 1 . 2 ]" 1
79 1 15 GLU HB2 1 45 LYS H 5.000 . 5.000 4.142 4.007 4.346 . 0 0 "[ . 1 . 2 ]" 1
80 1 15 GLU QG 1 45 LYS H 5.000 . 5.000 3.811 3.510 4.094 . 0 0 "[ . 1 . 2 ]" 1
81 1 16 ILE H 1 16 ILE HB 3.000 . 3.000 2.896 2.503 3.003 0.003 10 0 "[ . 1 . 2 ]" 1
82 1 16 ILE H 1 16 ILE MG 3.000 . 3.000 2.577 2.529 2.679 . 0 0 "[ . 1 . 2 ]" 1
83 1 16 ILE HA 1 16 ILE HB 3.000 . 3.000 2.748 2.690 2.850 . 0 0 "[ . 1 . 2 ]" 1
84 1 16 ILE HA 1 16 ILE MD 4.000 . 4.000 2.240 2.104 3.413 . 0 0 "[ . 1 . 2 ]" 1
85 1 16 ILE HA 1 17 LYS H 2.500 . 2.500 2.526 2.505 2.560 0.060 13 0 "[ . 1 . 2 ]" 1
86 1 16 ILE MG 1 17 LYS H 4.000 . 4.000 2.954 2.786 3.082 . 0 0 "[ . 1 . 2 ]" 1
87 1 16 ILE MD 1 17 LYS H 5.500 . 5.500 3.492 2.514 4.278 . 0 0 "[ . 1 . 2 ]" 1
88 1 16 ILE MD 1 33 SER HA 5.500 . 5.500 4.526 4.334 4.661 . 0 0 "[ . 1 . 2 ]" 1
89 1 16 ILE MD 1 33 SER QB 5.500 . 5.500 2.238 2.054 2.606 . 0 0 "[ . 1 . 2 ]" 1
90 1 16 ILE MG 1 34 LEU H 5.500 . 5.500 4.654 4.608 4.684 . 0 0 "[ . 1 . 2 ]" 1
91 1 16 ILE HG13 1 34 LEU QD 5.500 . 5.500 3.993 2.405 4.123 . 0 0 "[ . 1 . 2 ]" 1
92 1 16 ILE HG12 1 34 LEU QD 5.500 . 5.500 3.075 2.188 3.866 . 0 0 "[ . 1 . 2 ]" 1
93 1 16 ILE HB 1 34 LEU QD 5.000 . 5.000 2.087 1.920 2.239 . 0 0 "[ . 1 . 2 ]" 1
94 1 16 ILE MD 1 37 PHE QE 5.500 . 5.500 2.478 2.220 3.582 . 0 0 "[ . 1 . 2 ]" 1
95 1 16 ILE H 1 45 LYS H 5.000 . 5.000 3.859 3.402 4.226 . 0 0 "[ . 1 . 2 ]" 1
96 1 16 ILE HB 1 46 ILE HA 5.000 . 5.000 4.293 3.944 4.433 . 0 0 "[ . 1 . 2 ]" 1
97 1 16 ILE HB 1 46 ILE MD 4.000 . 4.000 3.463 3.411 3.502 . 0 0 "[ . 1 . 2 ]" 1
98 1 16 ILE MG 1 46 ILE HA 5.500 . 5.500 2.144 2.033 2.326 . 0 0 "[ . 1 . 2 ]" 1
99 1 16 ILE MG 1 46 ILE QG 5.500 . 5.500 3.659 3.571 3.930 . 0 0 "[ . 1 . 2 ]" 1
100 1 16 ILE H 1 46 ILE HA 5.000 . 5.000 2.931 2.776 3.106 . 0 0 "[ . 1 . 2 ]" 1
101 1 16 ILE H 1 47 THR H 5.000 . 5.000 3.552 3.326 3.701 . 0 0 "[ . 1 . 2 ]" 1
102 1 17 LYS HA 1 17 LYS QB 2.500 . 2.500 2.272 2.258 2.283 . 0 0 "[ . 1 . 2 ]" 1
103 1 17 LYS HA 1 18 PHE H 2.500 . 2.500 2.326 2.251 2.428 . 0 0 "[ . 1 . 2 ]" 1
104 1 17 LYS QB 1 18 PHE H 2.500 . 2.500 2.322 2.296 2.347 . 0 0 "[ . 1 . 2 ]" 1
105 1 17 LYS QD 1 18 PHE H 5.000 . 5.000 4.365 4.105 4.485 . 0 0 "[ . 1 . 2 ]" 1
106 1 17 LYS HA 1 47 THR H 5.000 . 5.000 2.518 2.338 2.668 . 0 0 "[ . 1 . 2 ]" 1
107 1 17 LYS QB 1 47 THR H 5.000 . 5.000 4.294 4.131 4.473 . 0 0 "[ . 1 . 2 ]" 1
108 1 17 LYS QG 1 47 THR H 5.000 . 5.000 3.477 3.135 3.741 . 0 0 "[ . 1 . 2 ]" 1
109 1 17 LYS HA 1 47 THR HB 3.500 . 3.500 3.221 2.932 3.430 . 0 0 "[ . 1 . 2 ]" 1
110 1 17 LYS HA 1 47 THR MG 5.500 . 5.500 4.544 4.460 4.653 . 0 0 "[ . 1 . 2 ]" 1
111 1 17 LYS QB 1 47 THR HB 5.000 . 5.000 3.778 3.483 4.087 . 0 0 "[ . 1 . 2 ]" 1
112 1 17 LYS QG 1 47 THR HB 5.000 . 5.000 2.117 2.015 2.369 . 0 0 "[ . 1 . 2 ]" 1
113 1 17 LYS QD 1 47 THR HB 5.000 . 5.000 3.650 3.041 4.334 . 0 0 "[ . 1 . 2 ]" 1
114 1 18 PHE HA 1 18 PHE HB3 2.800 . 2.800 2.613 2.557 2.723 . 0 0 "[ . 1 . 2 ]" 1
115 1 18 PHE H 1 18 PHE HB3 3.500 . 3.500 3.742 3.711 3.775 0.275 17 0 "[ . 1 . 2 ]" 1
116 1 18 PHE H 1 18 PHE HB2 3.500 . 3.500 2.672 2.567 2.802 . 0 0 "[ . 1 . 2 ]" 1
117 1 18 PHE H 1 18 PHE QD 5.000 . 5.000 3.817 3.565 4.162 . 0 0 "[ . 1 . 2 ]" 1
118 1 18 PHE HA 1 18 PHE QD 2.500 . 2.500 2.221 2.141 2.269 . 0 0 "[ . 1 . 2 ]" 1
119 1 18 PHE HB3 1 18 PHE QD 2.500 . 2.500 2.493 2.455 2.553 0.053 10 0 "[ . 1 . 2 ]" 1
120 1 18 PHE HB2 1 18 PHE QD 2.500 . 2.500 2.130 2.004 2.240 . 0 0 "[ . 1 . 2 ]" 1
121 1 18 PHE HA 1 18 PHE QE 5.000 . 5.000 4.228 4.106 4.425 . 0 0 "[ . 1 . 2 ]" 1
122 1 18 PHE HB3 1 18 PHE QE 5.000 . 5.000 4.376 4.350 4.416 . 0 0 "[ . 1 . 2 ]" 1
123 1 18 PHE HB2 1 18 PHE QE 5.000 . 5.000 4.268 4.145 4.323 . 0 0 "[ . 1 . 2 ]" 1
124 1 18 PHE HA 1 19 ARG H 2.500 . 2.500 2.250 2.144 2.395 . 0 0 "[ . 1 . 2 ]" 1
125 1 18 PHE HB3 1 19 ARG H 5.000 . 5.000 3.281 2.392 4.138 . 0 0 "[ . 1 . 2 ]" 1
126 1 18 PHE HB2 1 19 ARG H 5.000 . 5.000 4.269 3.702 4.634 . 0 0 "[ . 1 . 2 ]" 1
127 1 18 PHE QD 1 27 TYR QD 3.500 . 3.500 2.864 2.833 2.914 . 0 0 "[ . 1 . 2 ]" 1
128 1 18 PHE QE 1 27 TYR QD 3.500 . 3.500 2.135 2.043 2.534 . 0 0 "[ . 1 . 2 ]" 1
129 1 18 PHE QD 1 27 TYR QE 5.500 . 5.500 3.912 3.609 4.078 . 0 0 "[ . 1 . 2 ]" 1
130 1 18 PHE QE 1 27 TYR QE 5.500 . 5.500 3.266 2.971 3.349 . 0 0 "[ . 1 . 2 ]" 1
131 1 18 PHE HZ 1 27 TYR QE 5.000 . 5.000 3.103 2.958 3.285 . 0 0 "[ . 1 . 2 ]" 1
132 1 18 PHE HZ 1 28 GLN QE 5.000 . 5.000 4.590 4.545 4.621 . 0 0 "[ . 1 . 2 ]" 1
133 1 18 PHE HZ 1 31 LEU HA 5.000 . 5.000 2.763 2.438 2.999 . 0 0 "[ . 1 . 2 ]" 1
134 1 18 PHE HZ 1 31 LEU QB 5.000 . 5.000 3.235 2.989 3.432 . 0 0 "[ . 1 . 2 ]" 1
135 1 18 PHE HZ 1 31 LEU HG 3.500 . 3.500 3.544 3.449 3.604 0.104 11 0 "[ . 1 . 2 ]" 1
136 1 18 PHE HZ 1 31 LEU QD 5.500 . 5.500 3.562 3.467 3.707 . 0 0 "[ . 1 . 2 ]" 1
137 1 18 PHE QB 1 46 ILE MG 5.500 . 5.500 2.752 2.149 3.051 . 0 0 "[ . 1 . 2 ]" 1
138 1 18 PHE QD 1 46 ILE MG 5.500 . 5.500 1.885 1.845 1.976 . 0 0 "[ . 1 . 2 ]" 1
139 1 18 PHE QE 1 46 ILE MG 5.500 . 5.500 2.712 2.501 3.033 . 0 0 "[ . 1 . 2 ]" 1
140 1 18 PHE HZ 1 46 ILE MG 5.500 . 5.500 4.584 4.337 4.649 . 0 0 "[ . 1 . 2 ]" 1
141 1 18 PHE QD 1 46 ILE MD 5.500 . 5.500 3.613 3.315 3.924 . 0 0 "[ . 1 . 2 ]" 1
142 1 18 PHE QE 1 46 ILE MD 5.500 . 5.500 2.487 2.208 2.963 . 0 0 "[ . 1 . 2 ]" 1
143 1 18 PHE HZ 1 46 ILE MD 5.500 . 5.500 4.104 3.630 4.583 . 0 0 "[ . 1 . 2 ]" 1
144 1 18 PHE H 1 47 THR H 5.000 . 5.000 3.952 3.839 4.177 . 0 0 "[ . 1 . 2 ]" 1
145 1 18 PHE H 1 47 THR HB 5.000 . 5.000 4.561 4.276 4.832 . 0 0 "[ . 1 . 2 ]" 1
146 1 18 PHE H 1 48 LEU HA 5.000 . 5.000 2.888 2.572 3.193 . 0 0 "[ . 1 . 2 ]" 1
147 1 18 PHE H 1 48 LEU QD 5.500 . 5.500 3.755 3.448 4.119 . 0 0 "[ . 1 . 2 ]" 1
148 1 18 PHE QB 1 48 LEU HA 6.000 . 6.000 3.482 3.141 3.917 . 0 0 "[ . 1 . 2 ]" 1
149 1 18 PHE HB3 1 48 LEU QD 5.500 . 5.500 3.575 3.083 3.992 . 0 0 "[ . 1 . 2 ]" 1
150 1 18 PHE HB2 1 48 LEU QD 5.500 . 5.500 3.108 2.496 3.791 . 0 0 "[ . 1 . 2 ]" 1
151 1 18 PHE H 1 49 ARG H 5.000 . 5.000 4.390 3.890 4.662 . 0 0 "[ . 1 . 2 ]" 1
152 1 18 PHE H 1 49 ARG QB 5.000 . 5.000 4.403 3.933 4.549 . 0 0 "[ . 1 . 2 ]" 1
153 1 18 PHE HB3 1 64 VAL HA 5.000 . 5.000 5.143 5.092 5.171 0.171 15 0 "[ . 1 . 2 ]" 1
154 1 18 PHE HB3 1 64 VAL MG1 5.500 . 5.500 1.882 1.855 1.915 . 0 0 "[ . 1 . 2 ]" 1
155 1 18 PHE HB2 1 64 VAL MG1 5.500 . 5.500 2.850 2.649 2.955 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 PHE HB3 1 65 LEU H 5.000 . 5.000 5.156 5.050 5.236 0.236 11 0 "[ . 1 . 2 ]" 1
157 1 18 PHE HB2 1 65 LEU H 5.000 . 5.000 5.050 5.001 5.191 0.191 13 0 "[ . 1 . 2 ]" 1
158 1 18 PHE QD 1 65 LEU QD 6.000 . 6.000 2.682 2.386 2.953 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 PHE QE 1 65 LEU QD 6.000 . 6.000 4.029 3.995 4.050 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 PHE QD 1 68 VAL MG1 5.500 . 5.500 3.859 3.773 3.936 . 0 0 "[ . 1 . 2 ]" 1
161 1 18 PHE QD 1 68 VAL MG2 5.500 . 5.500 2.488 2.272 2.810 . 0 0 "[ . 1 . 2 ]" 1
162 1 18 PHE QE 1 68 VAL MG1 5.500 . 5.500 2.081 1.983 2.168 . 0 0 "[ . 1 . 2 ]" 1
163 1 18 PHE QE 1 68 VAL MG2 5.500 . 5.500 2.095 1.944 2.282 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 PHE HZ 1 68 VAL MG1 5.500 . 5.500 2.398 2.169 2.607 . 0 0 "[ . 1 . 2 ]" 1
165 1 18 PHE HZ 1 68 VAL MG2 5.500 . 5.500 3.397 3.176 3.709 . 0 0 "[ . 1 . 2 ]" 1
166 1 19 ARG H 1 19 ARG QB 2.500 . 2.500 2.281 2.145 2.334 . 0 0 "[ . 1 . 2 ]" 1
167 1 19 ARG HA 1 19 ARG QB 2.500 . 2.500 2.341 2.215 2.411 . 0 0 "[ . 1 . 2 ]" 1
168 1 19 ARG HA 1 20 PRO HD3 2.500 . 2.500 2.566 2.491 2.649 0.149 20 0 "[ . 1 . 2 ]" 1
169 1 19 ARG HA 1 20 PRO HD2 2.500 . 2.500 2.303 1.952 2.521 0.021 18 0 "[ . 1 . 2 ]" 1
170 1 19 ARG QB 1 20 PRO HD3 5.000 . 5.000 3.603 3.399 4.403 . 0 0 "[ . 1 . 2 ]" 1
171 1 19 ARG QB 1 20 PRO HD2 5.000 . 5.000 2.261 1.977 3.474 . 0 0 "[ . 1 . 2 ]" 1
172 1 19 ARG HA 1 48 LEU QD 5.500 . 5.500 3.053 2.497 3.651 . 0 0 "[ . 1 . 2 ]" 1
173 1 19 ARG HA 1 49 ARG H 5.000 . 5.000 3.279 2.543 3.926 . 0 0 "[ . 1 . 2 ]" 1
174 1 20 PRO HA 1 21 GLY H 2.500 . 2.500 2.234 2.068 2.347 . 0 0 "[ . 1 . 2 ]" 1
175 1 20 PRO HA 1 48 LEU QD 5.500 . 5.500 3.803 3.054 4.146 . 0 0 "[ . 1 . 2 ]" 1
176 1 20 PRO HD3 1 48 LEU QD 5.500 . 5.500 2.742 2.300 3.052 . 0 0 "[ . 1 . 2 ]" 1
177 1 20 PRO HD2 1 48 LEU QD 5.500 . 5.500 3.965 3.478 4.170 . 0 0 "[ . 1 . 2 ]" 1
178 1 20 PRO HD3 1 49 ARG H 5.000 . 5.000 3.476 2.954 3.738 . 0 0 "[ . 1 . 2 ]" 1
179 1 20 PRO HD2 1 49 ARG H 5.000 . 5.000 4.262 3.725 4.699 . 0 0 "[ . 1 . 2 ]" 1
180 1 20 PRO QB 1 50 PHE HA 5.000 . 5.000 4.132 2.304 4.470 . 0 0 "[ . 1 . 2 ]" 1
181 1 20 PRO QD 1 50 PHE HA 5.000 . 5.000 2.505 2.074 2.727 . 0 0 "[ . 1 . 2 ]" 1
182 1 20 PRO QD 1 50 PHE QD 5.000 . 5.000 3.917 3.602 4.068 . 0 0 "[ . 1 . 2 ]" 1
183 1 20 PRO HB3 1 60 ILE MD 5.500 . 5.500 2.930 2.051 4.111 . 0 0 "[ . 1 . 2 ]" 1
184 1 20 PRO HB2 1 60 ILE MD 5.500 . 5.500 3.884 3.140 4.608 . 0 0 "[ . 1 . 2 ]" 1
185 1 20 PRO HB3 1 60 ILE QG 5.500 . 5.500 3.070 1.992 4.595 . 0 0 "[ . 1 . 2 ]" 1
186 1 20 PRO HB2 1 60 ILE QG 5.500 . 5.500 4.299 3.207 4.955 . 0 0 "[ . 1 . 2 ]" 1
187 1 20 PRO HA 1 60 ILE MG 5.500 . 5.500 2.467 1.883 3.038 . 0 0 "[ . 1 . 2 ]" 1
188 1 20 PRO HA 1 60 ILE QG 5.000 . 5.000 4.239 3.132 4.524 . 0 0 "[ . 1 . 2 ]" 1
189 1 20 PRO HA 1 64 VAL MG2 5.000 . 5.000 3.493 2.855 4.190 . 0 0 "[ . 1 . 2 ]" 1
190 1 21 GLY H 1 21 GLY HA3 2.800 . 2.800 2.729 2.329 2.865 0.065 13 0 "[ . 1 . 2 ]" 1
191 1 21 GLY H 1 21 GLY HA2 2.800 . 2.800 2.256 2.179 2.414 . 0 0 "[ . 1 . 2 ]" 1
192 1 21 GLY HA3 1 22 THR H 3.000 . 3.000 2.958 1.936 3.322 0.322 23 0 "[ . 1 . 2 ]" 1
193 1 21 GLY HA2 1 22 THR H 3.000 . 3.000 2.752 1.957 3.131 0.131 15 0 "[ . 1 . 2 ]" 1
194 1 22 THR H 1 22 THR HB 3.500 . 3.500 3.005 2.688 3.647 0.147 15 0 "[ . 1 . 2 ]" 1
195 1 22 THR HA 1 22 THR MG 3.500 . 3.500 2.092 1.956 2.354 . 0 0 "[ . 1 . 2 ]" 1
196 1 22 THR H 1 23 ASP H 3.500 . 3.500 3.661 3.513 3.810 0.310 10 0 "[ . 1 . 2 ]" 1
197 1 22 THR HA 1 23 ASP H 2.500 . 2.500 2.212 1.954 2.677 0.177 21 0 "[ . 1 . 2 ]" 1
198 1 22 THR MG 1 23 ASP H 3.500 . 3.500 2.812 1.795 3.138 0.005 17 0 "[ . 1 . 2 ]" 1
199 1 22 THR MG 1 26 ASP QB 4.000 . 4.000 2.107 1.866 2.712 . 0 0 "[ . 1 . 2 ]" 1
200 1 22 THR MG 1 26 ASP H 5.500 . 5.500 3.935 3.491 4.537 . 0 0 "[ . 1 . 2 ]" 1
201 1 22 THR HB 1 27 TYR QD 5.000 . 5.000 4.042 2.139 4.609 . 0 0 "[ . 1 . 2 ]" 1
202 1 22 THR MG 1 27 TYR H 5.000 . 5.000 3.236 2.910 3.898 . 0 0 "[ . 1 . 2 ]" 1
203 1 22 THR MG 1 27 TYR QD 5.500 . 5.500 3.454 2.655 4.097 . 0 0 "[ . 1 . 2 ]" 1
204 1 22 THR MG 1 27 TYR HA 5.500 . 5.500 2.686 2.051 3.610 . 0 0 "[ . 1 . 2 ]" 1
205 1 23 ASP HA 1 23 ASP QB 2.500 . 2.500 2.404 2.207 2.465 . 0 0 "[ . 1 . 2 ]" 1
206 1 23 ASP H 1 23 ASP HB3 2.500 . 2.500 2.638 2.586 2.688 0.188 5 0 "[ . 1 . 2 ]" 1
207 1 23 ASP H 1 23 ASP HB2 2.500 . 2.500 2.490 1.838 3.041 0.541 5 1 "[ + 1 . 2 ]" 1
208 1 23 ASP QB 1 24 GLU H 3.000 . 3.000 2.632 2.018 2.810 . 0 0 "[ . 1 . 2 ]" 1
209 1 23 ASP HA 1 26 ASP QB 5.000 . 5.000 4.550 4.448 4.634 . 0 0 "[ . 1 . 2 ]" 1
210 1 23 ASP HB3 1 27 TYR QD 5.000 . 5.000 4.597 4.530 4.665 . 0 0 "[ . 1 . 2 ]" 1
211 1 23 ASP HB2 1 27 TYR QD 5.000 . 5.000 4.190 3.519 4.673 . 0 0 "[ . 1 . 2 ]" 1
212 1 24 GLU HA 1 24 GLU HB3 3.000 . 3.000 2.698 2.312 3.057 0.057 20 0 "[ . 1 . 2 ]" 1
213 1 24 GLU HA 1 24 GLU HB2 3.000 . 3.000 2.816 2.487 3.060 0.060 21 0 "[ . 1 . 2 ]" 1
214 1 24 GLU H 1 25 GLY QA 5.000 . 5.000 4.543 4.419 4.669 . 0 0 "[ . 1 . 2 ]" 1
215 1 24 GLU HB3 1 25 GLY H 5.000 . 5.000 2.874 1.994 3.992 . 0 0 "[ . 1 . 2 ]" 1
216 1 24 GLU HB2 1 25 GLY H 5.000 . 5.000 2.845 1.941 3.849 . 0 0 "[ . 1 . 2 ]" 1
217 1 24 GLU QG 1 25 GLY H 5.000 . 5.000 3.670 1.886 4.260 . 0 0 "[ . 1 . 2 ]" 1
218 1 24 GLU HA 1 26 ASP H 5.000 . 5.000 4.265 4.023 4.892 . 0 0 "[ . 1 . 2 ]" 1
219 1 24 GLU HA 1 27 TYR H 5.000 . 5.000 3.950 3.387 4.394 . 0 0 "[ . 1 . 2 ]" 1
220 1 24 GLU HA 1 27 TYR HB3 5.000 . 5.000 3.039 2.044 4.036 . 0 0 "[ . 1 . 2 ]" 1
221 1 24 GLU HA 1 27 TYR HB2 5.000 . 5.000 4.250 3.393 5.066 0.066 21 0 "[ . 1 . 2 ]" 1
222 1 24 GLU HA 1 28 GLN H 5.000 . 5.000 3.615 2.843 4.246 . 0 0 "[ . 1 . 2 ]" 1
223 1 25 GLY HA3 1 26 ASP H 3.500 . 3.500 3.204 1.908 3.538 0.038 17 0 "[ . 1 . 2 ]" 1
224 1 25 GLY HA2 1 26 ASP H 3.500 . 3.500 2.911 2.114 3.398 . 0 0 "[ . 1 . 2 ]" 1
225 1 25 GLY H 1 26 ASP H 3.000 . 3.000 2.846 2.477 3.167 0.167 15 0 "[ . 1 . 2 ]" 1
226 1 25 GLY QA 1 26 ASP H 3.000 . 3.000 2.572 1.897 2.810 . 0 0 "[ . 1 . 2 ]" 1
227 1 25 GLY QA 1 27 TYR H 3.500 . 3.500 3.313 3.239 3.399 . 0 0 "[ . 1 . 2 ]" 1
228 1 25 GLY H 1 27 TYR H 5.000 . 5.000 4.010 3.462 4.377 . 0 0 "[ . 1 . 2 ]" 1
229 1 26 ASP H 1 26 ASP HB3 3.000 . 3.000 2.706 2.326 3.245 0.245 5 0 "[ . 1 . 2 ]" 1
230 1 26 ASP H 1 26 ASP HB2 3.000 . 3.000 2.619 1.946 3.141 0.141 24 0 "[ . 1 . 2 ]" 1
231 1 26 ASP HA 1 26 ASP QB 2.500 . 2.500 2.389 2.367 2.411 . 0 0 "[ . 1 . 2 ]" 1
232 1 26 ASP HB3 1 27 TYR H 3.500 . 3.500 2.732 2.469 3.559 0.059 5 0 "[ . 1 . 2 ]" 1
233 1 26 ASP HB2 1 27 TYR H 3.500 . 3.500 3.481 2.354 3.666 0.166 21 0 "[ . 1 . 2 ]" 1
234 1 26 ASP H 1 27 TYR H 2.800 . 2.800 1.752 1.549 2.065 0.251 24 0 "[ . 1 . 2 ]" 1
235 1 26 ASP H 1 28 GLN H 5.000 . 5.000 4.332 3.578 5.020 0.020 4 0 "[ . 1 . 2 ]" 1
236 1 26 ASP HA 1 29 VAL H 5.000 . 5.000 4.369 4.119 4.613 . 0 0 "[ . 1 . 2 ]" 1
237 1 26 ASP HA 1 29 VAL HB 3.500 . 3.500 3.316 2.949 3.527 0.027 3 0 "[ . 1 . 2 ]" 1
238 1 26 ASP HA 1 29 VAL MG1 5.500 . 5.500 4.286 3.964 4.506 . 0 0 "[ . 1 . 2 ]" 1
239 1 26 ASP HA 1 29 VAL MG2 4.000 . 4.000 3.377 3.349 3.399 . 0 0 "[ . 1 . 2 ]" 1
240 1 26 ASP HA 1 30 LYS H 5.000 . 5.000 4.956 4.716 5.073 0.073 12 0 "[ . 1 . 2 ]" 1
241 1 27 TYR H 1 27 TYR HB3 2.500 . 2.500 2.328 2.200 2.432 . 0 0 "[ . 1 . 2 ]" 1
242 1 27 TYR H 1 27 TYR HB2 2.500 . 2.500 2.478 2.355 2.571 0.071 5 0 "[ . 1 . 2 ]" 1
243 1 27 TYR HA 1 27 TYR QD 3.500 . 3.500 2.482 2.405 2.635 . 0 0 "[ . 1 . 2 ]" 1
244 1 27 TYR HB3 1 27 TYR QD 3.500 . 3.500 2.445 2.291 2.539 . 0 0 "[ . 1 . 2 ]" 1
245 1 27 TYR HB2 1 27 TYR QD 3.500 . 3.500 2.570 2.339 2.668 . 0 0 "[ . 1 . 2 ]" 1
246 1 27 TYR HB3 1 27 TYR QE 5.000 . 5.000 4.242 4.033 4.351 . 0 0 "[ . 1 . 2 ]" 1
247 1 27 TYR HB2 1 27 TYR QE 5.000 . 5.000 4.462 4.400 4.490 . 0 0 "[ . 1 . 2 ]" 1
248 1 27 TYR H 1 27 TYR QD 5.000 . 5.000 4.106 3.921 4.200 . 0 0 "[ . 1 . 2 ]" 1
249 1 27 TYR H 1 28 GLN H 3.500 . 3.500 3.025 2.759 3.232 . 0 0 "[ . 1 . 2 ]" 1
250 1 27 TYR QD 1 28 GLN H 4.000 . 4.000 3.558 3.492 3.599 . 0 0 "[ . 1 . 2 ]" 1
251 1 27 TYR QE 1 28 GLN H 5.000 . 5.000 4.744 4.696 4.802 . 0 0 "[ . 1 . 2 ]" 1
252 1 27 TYR HB3 1 28 GLN H 2.500 . 2.500 1.989 1.882 2.053 . 0 0 "[ . 1 . 2 ]" 1
253 1 27 TYR HB2 1 28 GLN H 3.500 . 3.500 3.572 3.522 3.607 0.107 2 0 "[ . 1 . 2 ]" 1
254 1 27 TYR QD 1 28 GLN HA 5.000 . 5.000 3.964 3.773 4.186 . 0 0 "[ . 1 . 2 ]" 1
255 1 27 TYR QD 1 28 GLN HE21 5.000 . 5.000 3.181 2.931 3.579 . 0 0 "[ . 1 . 2 ]" 1
256 1 27 TYR QD 1 28 GLN HE22 5.000 . 5.000 3.703 3.362 3.848 . 0 0 "[ . 1 . 2 ]" 1
257 1 27 TYR QE 1 28 GLN HE21 5.000 . 5.000 3.181 3.062 3.358 . 0 0 "[ . 1 . 2 ]" 1
258 1 27 TYR QE 1 28 GLN HE22 5.000 . 5.000 2.879 2.741 3.008 . 0 0 "[ . 1 . 2 ]" 1
259 1 27 TYR H 1 29 VAL H 5.000 . 5.000 3.626 3.283 3.823 . 0 0 "[ . 1 . 2 ]" 1
260 1 27 TYR HA 1 29 VAL H 5.000 . 5.000 4.132 4.082 4.177 . 0 0 "[ . 1 . 2 ]" 1
261 1 27 TYR HA 1 30 LYS H 5.000 . 5.000 3.636 3.508 3.742 . 0 0 "[ . 1 . 2 ]" 1
262 1 27 TYR HA 1 30 LYS HB3 5.000 . 5.000 5.150 5.063 5.177 0.177 15 0 "[ . 1 . 2 ]" 1
263 1 27 TYR HA 1 30 LYS HB2 5.000 . 5.000 3.468 3.395 3.514 . 0 0 "[ . 1 . 2 ]" 1
264 1 27 TYR HA 1 30 LYS QG 5.000 . 5.000 4.463 4.267 4.500 . 0 0 "[ . 1 . 2 ]" 1
265 1 27 TYR HA 1 31 LEU H 5.000 . 5.000 4.779 4.259 4.937 . 0 0 "[ . 1 . 2 ]" 1
266 1 27 TYR QE 1 63 GLU HG3 5.500 . 5.500 4.982 4.945 5.111 . 0 0 "[ . 1 . 2 ]" 1
267 1 27 TYR QE 1 63 GLU HG2 5.500 . 5.500 5.038 4.960 5.056 . 0 0 "[ . 1 . 2 ]" 1
268 1 27 TYR QD 1 64 VAL MG1 5.500 . 5.500 3.418 3.125 3.800 . 0 0 "[ . 1 . 2 ]" 1
269 1 27 TYR QE 1 64 VAL MG1 5.500 . 5.500 2.870 2.772 3.300 . 0 0 "[ . 1 . 2 ]" 1
270 1 27 TYR QE 1 67 ARG HG3 5.500 . 5.500 4.413 4.342 4.577 . 0 0 "[ . 1 . 2 ]" 1
271 1 27 TYR QE 1 67 ARG HG2 5.500 . 5.500 2.760 2.648 3.020 . 0 0 "[ . 1 . 2 ]" 1
272 1 27 TYR QD 1 67 ARG QG 5.500 . 5.500 4.521 4.479 4.555 . 0 0 "[ . 1 . 2 ]" 1
273 1 27 TYR QD 1 67 ARG HE 5.000 . 5.000 4.332 3.289 4.466 . 0 0 "[ . 1 . 2 ]" 1
274 1 27 TYR QE 1 67 ARG HE 5.000 . 5.000 2.223 1.877 2.649 . 0 0 "[ . 1 . 2 ]" 1
275 1 27 TYR QE 1 68 VAL H 5.000 . 5.000 4.407 4.318 4.458 . 0 0 "[ . 1 . 2 ]" 1
276 1 27 TYR QE 1 68 VAL HA 5.000 . 5.000 3.336 3.186 3.435 . 0 0 "[ . 1 . 2 ]" 1
277 1 27 TYR QE 1 68 VAL HB 5.000 . 5.000 4.607 4.544 4.639 . 0 0 "[ . 1 . 2 ]" 1
278 1 27 TYR QD 1 68 VAL MG1 5.500 . 5.500 4.087 3.996 4.128 . 0 0 "[ . 1 . 2 ]" 1
279 1 27 TYR QD 1 68 VAL MG2 5.500 . 5.500 3.924 3.847 3.991 . 0 0 "[ . 1 . 2 ]" 1
280 1 27 TYR QE 1 68 VAL MG2 4.000 . 4.000 1.997 1.963 2.026 . 0 0 "[ . 1 . 2 ]" 1
281 1 27 TYR QE 1 68 VAL MG1 3.000 . 3.000 2.303 2.286 2.319 . 0 0 "[ . 1 . 2 ]" 1
282 1 28 GLN HA 1 28 GLN HB3 3.000 . 3.000 2.127 2.112 2.144 . 0 0 "[ . 1 . 2 ]" 1
283 1 28 GLN HA 1 28 GLN HB2 3.000 . 3.000 2.896 2.865 2.906 . 0 0 "[ . 1 . 2 ]" 1
284 1 28 GLN H 1 28 GLN HA 2.800 . 2.800 2.573 2.550 2.593 . 0 0 "[ . 1 . 2 ]" 1
285 1 28 GLN H 1 28 GLN HB3 3.000 . 3.000 3.275 3.235 3.292 0.292 22 0 "[ . 1 . 2 ]" 1
286 1 28 GLN H 1 28 GLN HG3 3.000 . 3.000 3.146 3.121 3.193 0.193 2 0 "[ . 1 . 2 ]" 1
287 1 28 GLN H 1 28 GLN HG2 3.000 . 3.000 1.665 1.653 1.774 0.147 17 0 "[ . 1 . 2 ]" 1
288 1 28 GLN H 1 29 VAL H 2.800 . 2.800 2.968 2.922 2.999 0.199 14 0 "[ . 1 . 2 ]" 1
289 1 28 GLN HA 1 29 VAL H 5.000 . 5.000 3.279 3.225 3.334 . 0 0 "[ . 1 . 2 ]" 1
290 1 28 GLN HG3 1 29 VAL H 5.000 . 5.000 5.066 5.027 5.103 0.103 17 0 "[ . 1 . 2 ]" 1
291 1 28 GLN HG2 1 29 VAL H 5.000 . 5.000 4.179 3.832 4.302 . 0 0 "[ . 1 . 2 ]" 1
292 1 28 GLN H 1 30 LYS H 5.000 . 5.000 4.483 4.391 4.543 . 0 0 "[ . 1 . 2 ]" 1
293 1 28 GLN HA 1 31 LEU H 5.000 . 5.000 2.494 2.312 2.711 . 0 0 "[ . 1 . 2 ]" 1
294 1 28 GLN HA 1 31 LEU QB 5.000 . 5.000 1.854 1.827 1.877 . 0 0 "[ . 1 . 2 ]" 1
295 1 28 GLN HE21 1 31 LEU QD 5.500 . 5.500 2.416 2.013 2.554 . 0 0 "[ . 1 . 2 ]" 1
296 1 28 GLN HE22 1 31 LEU QD 5.500 . 5.500 2.056 1.914 2.365 . 0 0 "[ . 1 . 2 ]" 1
297 1 28 GLN HA 1 32 ARG H 5.000 . 5.000 3.705 3.525 3.862 . 0 0 "[ . 1 . 2 ]" 1
298 1 29 VAL H 1 29 VAL HB 2.500 . 2.500 2.461 2.393 2.507 0.007 3 0 "[ . 1 . 2 ]" 1
299 1 29 VAL HA 1 29 VAL MG1 3.000 . 3.000 2.476 2.400 2.520 . 0 0 "[ . 1 . 2 ]" 1
300 1 29 VAL HA 1 29 VAL MG2 3.000 . 3.000 2.312 2.230 2.391 . 0 0 "[ . 1 . 2 ]" 1
301 1 29 VAL H 1 29 VAL MG2 3.000 . 3.000 2.297 2.104 2.500 . 0 0 "[ . 1 . 2 ]" 1
302 1 29 VAL H 1 30 LYS H 2.800 . 2.800 2.610 2.556 2.657 . 0 0 "[ . 1 . 2 ]" 1
303 1 29 VAL HB 1 30 LYS H 3.500 . 3.500 2.592 2.420 2.811 . 0 0 "[ . 1 . 2 ]" 1
304 1 29 VAL MG1 1 30 LYS H 4.000 . 4.000 3.349 3.291 3.377 . 0 0 "[ . 1 . 2 ]" 1
305 1 29 VAL MG2 1 30 LYS H 5.500 . 5.500 3.922 3.771 4.071 . 0 0 "[ . 1 . 2 ]" 1
306 1 29 VAL QG 1 30 LYS HA 5.500 . 5.500 3.495 3.396 3.560 . 0 0 "[ . 1 . 2 ]" 1
307 1 29 VAL H 1 31 LEU H 5.000 . 5.000 3.585 3.526 3.766 . 0 0 "[ . 1 . 2 ]" 1
308 1 29 VAL HB 1 31 LEU H 5.000 . 5.000 4.659 4.559 4.796 . 0 0 "[ . 1 . 2 ]" 1
309 1 29 VAL HA 1 32 ARG H 5.000 . 5.000 3.399 3.222 3.513 . 0 0 "[ . 1 . 2 ]" 1
310 1 29 VAL HA 1 32 ARG HB3 3.500 . 3.500 3.511 3.432 3.556 0.056 16 0 "[ . 1 . 2 ]" 1
311 1 29 VAL HA 1 32 ARG HB2 3.500 . 3.500 2.967 2.305 3.498 . 0 0 "[ . 1 . 2 ]" 1
312 1 29 VAL HA 1 32 ARG HD3 5.000 . 5.000 4.493 3.273 5.035 0.035 15 0 "[ . 1 . 2 ]" 1
313 1 29 VAL HA 1 32 ARG HD2 5.000 . 5.000 4.602 3.896 5.072 0.072 23 0 "[ . 1 . 2 ]" 1
314 1 29 VAL MG1 1 33 SER H 5.500 . 5.500 4.252 4.160 4.331 . 0 0 "[ . 1 . 2 ]" 1
315 1 29 VAL HA 1 33 SER H 5.000 . 5.000 4.746 4.607 4.844 . 0 0 "[ . 1 . 2 ]" 1
316 1 30 LYS H 1 30 LYS HB2 2.500 . 2.500 2.311 2.145 2.374 . 0 0 "[ . 1 . 2 ]" 1
317 1 30 LYS H 1 30 LYS QG 3.500 . 3.500 2.718 2.614 2.797 . 0 0 "[ . 1 . 2 ]" 1
318 1 30 LYS HA 1 30 LYS HB3 2.500 . 2.500 2.550 2.528 2.566 0.066 12 0 "[ . 1 . 2 ]" 1
319 1 30 LYS H 1 31 LEU H 2.800 . 2.800 2.447 2.340 2.556 . 0 0 "[ . 1 . 2 ]" 1
320 1 30 LYS HA 1 31 LEU H 5.000 . 5.000 3.212 3.131 3.406 . 0 0 "[ . 1 . 2 ]" 1
321 1 30 LYS QD 1 31 LEU H 5.000 . 5.000 4.568 4.536 4.735 . 0 0 "[ . 1 . 2 ]" 1
322 1 30 LYS H 1 32 ARG H 5.000 . 5.000 3.780 3.654 3.945 . 0 0 "[ . 1 . 2 ]" 1
323 1 30 LYS HA 1 33 SER H 5.000 . 5.000 1.950 1.890 2.151 . 0 0 "[ . 1 . 2 ]" 1
324 1 30 LYS HA 1 33 SER QB 5.000 . 5.000 2.368 2.196 2.564 . 0 0 "[ . 1 . 2 ]" 1
325 1 30 LYS HG3 1 33 SER H 5.000 . 5.000 5.329 5.252 5.362 0.362 14 0 "[ . 1 . 2 ]" 1
326 1 30 LYS HG2 1 33 SER H 5.000 . 5.000 5.052 3.962 5.132 0.132 17 0 "[ . 1 . 2 ]" 1
327 1 30 LYS QD 1 33 SER H 5.000 . 5.000 3.164 3.055 4.620 . 0 0 "[ . 1 . 2 ]" 1
328 1 30 LYS HA 1 34 LEU H 5.000 . 5.000 3.726 3.566 4.043 . 0 0 "[ . 1 . 2 ]" 1
329 1 30 LYS QB 1 34 LEU H 5.000 . 5.000 4.266 4.131 4.402 . 0 0 "[ . 1 . 2 ]" 1
330 1 31 LEU H 1 31 LEU QB 3.000 . 3.000 2.276 2.200 2.309 . 0 0 "[ . 1 . 2 ]" 1
331 1 31 LEU H 1 31 LEU QD 5.000 . 5.000 3.771 3.756 3.790 . 0 0 "[ . 1 . 2 ]" 1
332 1 31 LEU H 1 32 ARG H 2.800 . 2.800 2.096 1.951 2.808 0.008 5 0 "[ . 1 . 2 ]" 1
333 1 31 LEU HA 1 32 ARG H 5.000 . 5.000 3.586 3.551 3.644 . 0 0 "[ . 1 . 2 ]" 1
334 1 31 LEU H 1 33 SER H 5.000 . 5.000 3.678 3.536 4.075 . 0 0 "[ . 1 . 2 ]" 1
335 1 31 LEU HA 1 34 LEU H 5.000 . 5.000 3.049 2.845 3.252 . 0 0 "[ . 1 . 2 ]" 1
336 1 31 LEU HA 1 34 LEU QB 5.000 . 5.000 2.365 2.128 3.014 . 0 0 "[ . 1 . 2 ]" 1
337 1 31 LEU HA 1 35 ILE MD 5.500 . 5.500 4.189 4.098 4.286 . 0 0 "[ . 1 . 2 ]" 1
338 1 31 LEU QD 1 35 ILE MD 5.500 . 5.500 1.851 1.801 1.911 . 0 0 "[ . 1 . 2 ]" 1
339 1 31 LEU QD 1 35 ILE QG 5.500 . 5.500 3.181 2.985 3.341 . 0 0 "[ . 1 . 2 ]" 1
340 1 31 LEU QD 1 68 VAL HA 5.500 . 5.500 1.948 1.886 1.995 . 0 0 "[ . 1 . 2 ]" 1
341 1 31 LEU HA 1 68 VAL MG1 5.500 . 5.500 3.214 2.920 3.396 . 0 0 "[ . 1 . 2 ]" 1
342 1 31 LEU QD 1 68 VAL HB 5.500 . 5.500 3.997 3.910 4.071 . 0 0 "[ . 1 . 2 ]" 1
343 1 31 LEU MD1 1 71 ASP HB3 5.000 . 5.000 1.921 1.877 1.982 . 0 0 "[ . 1 . 2 ]" 1
344 1 31 LEU MD1 1 71 ASP HB2 5.000 . 5.000 3.095 2.965 3.237 . 0 0 "[ . 1 . 2 ]" 1
345 1 31 LEU MD2 1 71 ASP HB3 5.000 . 5.000 2.545 2.210 2.721 . 0 0 "[ . 1 . 2 ]" 1
346 1 31 LEU MD2 1 71 ASP HB2 5.000 . 5.000 4.034 3.765 4.182 . 0 0 "[ . 1 . 2 ]" 1
347 1 31 LEU QD 1 71 ASP HA 5.500 . 5.500 3.981 3.873 4.085 . 0 0 "[ . 1 . 2 ]" 1
348 1 31 LEU MD1 1 71 ASP H 5.500 . 5.500 3.525 3.395 3.671 . 0 0 "[ . 1 . 2 ]" 1
349 1 31 LEU MD2 1 71 ASP H 5.500 . 5.500 4.523 4.262 4.611 . 0 0 "[ . 1 . 2 ]" 1
350 1 32 ARG H 1 32 ARG QB 2.500 . 2.500 2.200 2.023 2.274 . 0 0 "[ . 1 . 2 ]" 1
351 1 32 ARG H 1 33 SER H 2.800 . 2.800 2.838 2.822 2.855 0.055 2 0 "[ . 1 . 2 ]" 1
352 1 32 ARG QB 1 33 SER H 5.000 . 5.000 2.816 2.642 2.915 . 0 0 "[ . 1 . 2 ]" 1
353 1 32 ARG QG 1 33 SER H 5.000 . 5.000 4.332 4.147 4.503 . 0 0 "[ . 1 . 2 ]" 1
354 1 32 ARG H 1 34 LEU H 5.000 . 5.000 4.224 4.080 4.519 . 0 0 "[ . 1 . 2 ]" 1
355 1 32 ARG HA 1 35 ILE H 5.000 . 5.000 3.239 3.159 3.367 . 0 0 "[ . 1 . 2 ]" 1
356 1 32 ARG HA 1 35 ILE HB 5.000 . 5.000 3.813 3.672 4.025 . 0 0 "[ . 1 . 2 ]" 1
357 1 32 ARG HA 1 35 ILE MD 4.000 . 4.000 3.193 3.017 3.344 . 0 0 "[ . 1 . 2 ]" 1
358 1 32 ARG HA 1 35 ILE MG 5.500 . 5.500 4.604 4.562 4.633 . 0 0 "[ . 1 . 2 ]" 1
359 1 32 ARG HA 1 36 ARG H 5.000 . 5.000 4.312 4.171 4.398 . 0 0 "[ . 1 . 2 ]" 1
360 1 33 SER H 1 33 SER HA 2.500 . 2.500 2.687 2.660 2.728 0.228 14 0 "[ . 1 . 2 ]" 1
361 1 33 SER HA 1 33 SER QB 2.500 . 2.500 2.304 2.282 2.317 . 0 0 "[ . 1 . 2 ]" 1
362 1 33 SER H 1 34 LEU H 2.800 . 2.800 2.882 2.850 3.015 0.215 17 0 "[ . 1 . 2 ]" 1
363 1 33 SER QB 1 34 LEU H 3.500 . 3.500 2.800 2.621 2.956 . 0 0 "[ . 1 . 2 ]" 1
364 1 33 SER H 1 35 ILE H 5.000 . 5.000 4.363 4.284 4.461 . 0 0 "[ . 1 . 2 ]" 1
365 1 33 SER HA 1 36 ARG H 5.000 . 5.000 3.719 3.597 3.882 . 0 0 "[ . 1 . 2 ]" 1
366 1 33 SER HA 1 36 ARG QB 5.000 . 5.000 2.873 2.580 3.064 . 0 0 "[ . 1 . 2 ]" 1
367 1 33 SER HA 1 36 ARG QG 5.000 . 5.000 4.434 4.219 4.527 . 0 0 "[ . 1 . 2 ]" 1
368 1 33 SER HA 1 37 PHE H 5.000 . 5.000 4.640 4.514 4.760 . 0 0 "[ . 1 . 2 ]" 1
369 1 33 SER QB 1 37 PHE QE 5.000 . 5.000 3.304 2.310 3.990 . 0 0 "[ . 1 . 2 ]" 1
370 1 34 LEU H 1 34 LEU HG 3.500 . 3.500 3.005 2.189 3.898 0.398 1 0 "[ . 1 . 2 ]" 1
371 1 34 LEU HA 1 34 LEU QD 3.000 . 3.000 1.999 1.905 2.181 . 0 0 "[ . 1 . 2 ]" 1
372 1 34 LEU H 1 35 ILE H 2.800 . 2.800 2.868 2.797 2.924 0.124 17 0 "[ . 1 . 2 ]" 1
373 1 34 LEU H 1 36 ARG H 5.000 . 5.000 4.355 4.272 4.516 . 0 0 "[ . 1 . 2 ]" 1
374 1 34 LEU HA 1 36 ARG H 5.000 . 5.000 4.326 4.176 4.455 . 0 0 "[ . 1 . 2 ]" 1
375 1 34 LEU HA 1 37 PHE H 5.000 . 5.000 3.028 2.873 3.170 . 0 0 "[ . 1 . 2 ]" 1
376 1 34 LEU HA 1 37 PHE HB3 5.000 . 5.000 4.179 3.848 4.551 . 0 0 "[ . 1 . 2 ]" 1
377 1 34 LEU HA 1 37 PHE HB2 5.000 . 5.000 2.596 2.372 2.776 . 0 0 "[ . 1 . 2 ]" 1
378 1 34 LEU HA 1 37 PHE QD 2.500 . 2.500 2.328 1.979 2.552 0.052 2 0 "[ . 1 . 2 ]" 1
379 1 34 LEU HA 1 37 PHE QE 5.000 . 5.000 3.811 3.340 4.395 . 0 0 "[ . 1 . 2 ]" 1
380 1 34 LEU QD 1 37 PHE H 5.500 . 5.500 4.187 4.066 4.301 . 0 0 "[ . 1 . 2 ]" 1
381 1 34 LEU QD 1 37 PHE QD 5.500 . 5.500 2.516 2.036 3.241 . 0 0 "[ . 1 . 2 ]" 1
382 1 34 LEU HA 1 38 LEU H 5.000 . 5.000 4.091 3.880 4.364 . 0 0 "[ . 1 . 2 ]" 1
383 1 34 LEU QD 1 38 LEU QD 5.500 . 5.500 2.951 2.567 3.094 . 0 0 "[ . 1 . 2 ]" 1
384 1 34 LEU QD 1 44 ALA MB 3.000 . 3.000 1.824 1.696 1.922 0.104 11 0 "[ . 1 . 2 ]" 1
385 1 34 LEU HA 1 44 ALA MB 5.500 . 5.500 3.471 3.189 3.912 . 0 0 "[ . 1 . 2 ]" 1
386 1 34 LEU QD 1 45 LYS H 5.500 . 5.500 4.119 3.804 4.250 . 0 0 "[ . 1 . 2 ]" 1
387 1 34 LEU HB3 1 46 ILE MD 5.500 . 5.500 4.170 3.722 4.621 . 0 0 "[ . 1 . 2 ]" 1
388 1 34 LEU HB2 1 46 ILE MD 5.500 . 5.500 4.396 3.977 4.631 . 0 0 "[ . 1 . 2 ]" 1
389 1 34 LEU HG 1 46 ILE MD 5.500 . 5.500 3.589 2.475 3.761 . 0 0 "[ . 1 . 2 ]" 1
390 1 34 LEU QD 1 46 ILE MD 5.500 . 5.500 1.756 1.673 2.058 0.127 13 0 "[ . 1 . 2 ]" 1
391 1 34 LEU QD 1 68 VAL MG1 5.500 . 5.500 1.928 1.839 2.223 . 0 0 "[ . 1 . 2 ]" 1
392 1 34 LEU HB3 1 72 LEU QD 5.500 . 5.500 2.467 2.056 3.051 . 0 0 "[ . 1 . 2 ]" 1
393 1 34 LEU HB2 1 72 LEU QD 5.500 . 5.500 2.922 2.170 4.127 . 0 0 "[ . 1 . 2 ]" 1
394 1 34 LEU QD 1 72 LEU QD 5.000 . 5.000 2.296 2.027 2.768 . 0 0 "[ . 1 . 2 ]" 1
395 1 34 LEU QD 1 94 LEU QD 5.000 . 5.000 1.849 1.713 2.532 0.087 14 0 "[ . 1 . 2 ]" 1
396 1 35 ILE H 1 35 ILE MD 3.000 . 3.000 2.583 2.562 2.609 . 0 0 "[ . 1 . 2 ]" 1
397 1 35 ILE H 1 35 ILE HB 3.000 . 3.000 3.056 3.021 3.141 0.141 17 0 "[ . 1 . 2 ]" 1
398 1 35 ILE HA 1 35 ILE MG 3.000 . 3.000 1.992 1.895 2.062 . 0 0 "[ . 1 . 2 ]" 1
399 1 35 ILE HA 1 35 ILE MD 3.000 . 3.000 2.528 2.503 2.563 . 0 0 "[ . 1 . 2 ]" 1
400 1 35 ILE H 1 36 ARG H 2.800 . 2.800 2.578 2.461 2.690 . 0 0 "[ . 1 . 2 ]" 1
401 1 35 ILE HB 1 36 ARG H 3.500 . 3.500 2.317 2.239 2.402 . 0 0 "[ . 1 . 2 ]" 1
402 1 35 ILE MG 1 36 ARG H 4.000 . 4.000 3.621 3.570 3.676 . 0 0 "[ . 1 . 2 ]" 1
403 1 35 ILE MD 1 36 ARG H 5.500 . 5.500 4.288 4.196 4.369 . 0 0 "[ . 1 . 2 ]" 1
404 1 35 ILE H 1 37 PHE H 5.000 . 5.000 4.231 4.117 4.352 . 0 0 "[ . 1 . 2 ]" 1
405 1 35 ILE HA 1 37 PHE H 5.000 . 5.000 4.505 4.422 4.629 . 0 0 "[ . 1 . 2 ]" 1
406 1 35 ILE HA 1 38 LEU H 5.000 . 5.000 3.655 3.454 3.812 . 0 0 "[ . 1 . 2 ]" 1
407 1 35 ILE HA 1 38 LEU QB 5.000 . 5.000 2.929 2.529 3.264 . 0 0 "[ . 1 . 2 ]" 1
408 1 35 ILE HA 1 38 LEU QD 5.500 . 5.500 3.494 2.955 3.914 . 0 0 "[ . 1 . 2 ]" 1
409 1 35 ILE HA 1 39 GLU H 5.000 . 5.000 4.286 4.040 4.438 . 0 0 "[ . 1 . 2 ]" 1
410 1 35 ILE MG 1 39 GLU HG3 5.000 . 5.000 2.852 2.022 4.258 . 0 0 "[ . 1 . 2 ]" 1
411 1 35 ILE MG 1 39 GLU HG2 5.000 . 5.000 3.471 2.211 4.255 . 0 0 "[ . 1 . 2 ]" 1
412 1 35 ILE HA 1 72 LEU MD1 5.000 . 5.000 2.949 1.981 4.171 . 0 0 "[ . 1 . 2 ]" 1
413 1 35 ILE HA 1 72 LEU MD2 5.000 . 5.000 2.701 1.952 3.784 . 0 0 "[ . 1 . 2 ]" 1
414 1 35 ILE MG 1 72 LEU QD 3.500 . 3.500 2.245 2.213 2.283 . 0 0 "[ . 1 . 2 ]" 1
415 1 35 ILE MD 1 72 LEU QD 3.500 . 3.500 1.805 1.716 1.901 0.084 13 0 "[ . 1 . 2 ]" 1
416 1 35 ILE HA 1 72 LEU HG 5.000 . 5.000 4.370 4.209 4.579 . 0 0 "[ . 1 . 2 ]" 1
417 1 35 ILE HA 1 75 LEU MD1 5.500 . 5.500 4.029 2.565 4.585 . 0 0 "[ . 1 . 2 ]" 1
418 1 35 ILE HA 1 75 LEU MD2 5.500 . 5.500 3.522 2.732 4.644 . 0 0 "[ . 1 . 2 ]" 1
419 1 35 ILE HB 1 75 LEU MD1 5.500 . 5.500 4.465 4.171 4.784 . 0 0 "[ . 1 . 2 ]" 1
420 1 35 ILE HB 1 75 LEU MD2 5.500 . 5.500 4.527 4.289 4.739 . 0 0 "[ . 1 . 2 ]" 1
421 1 35 ILE MG 1 75 LEU QD 5.000 . 5.000 1.940 1.859 2.156 . 0 0 "[ . 1 . 2 ]" 1
422 1 35 ILE MD 1 75 LEU QD 5.500 . 5.500 3.416 3.398 3.431 . 0 0 "[ . 1 . 2 ]" 1
423 1 35 ILE MG 1 76 ALA H 5.500 . 5.500 4.640 4.593 4.704 . 0 0 "[ . 1 . 2 ]" 1
424 1 36 ARG H 1 36 ARG HB3 3.000 . 3.000 2.843 2.348 3.052 0.052 5 0 "[ . 1 . 2 ]" 1
425 1 36 ARG H 1 36 ARG HB2 3.000 . 3.000 2.304 1.962 2.680 . 0 0 "[ . 1 . 2 ]" 1
426 1 36 ARG H 1 37 PHE H 2.800 . 2.800 2.942 2.884 2.990 0.190 18 0 "[ . 1 . 2 ]" 1
427 1 36 ARG H 1 37 PHE QD 5.000 . 5.000 4.541 4.495 4.598 . 0 0 "[ . 1 . 2 ]" 1
428 1 36 ARG QB 1 37 PHE H 3.500 2.300 3.500 2.604 2.423 2.848 . 0 0 "[ . 1 . 2 ]" 1
429 1 36 ARG QB 1 37 PHE QE 5.000 . 5.000 3.895 3.566 4.008 . 0 0 "[ . 1 . 2 ]" 1
430 1 36 ARG H 1 38 LEU H 5.000 . 5.000 4.467 4.252 4.622 . 0 0 "[ . 1 . 2 ]" 1
431 1 36 ARG HA 1 38 LEU H 5.000 . 5.000 4.707 4.548 4.873 . 0 0 "[ . 1 . 2 ]" 1
432 1 36 ARG HA 1 39 GLU H 5.000 . 5.000 3.534 3.338 3.795 . 0 0 "[ . 1 . 2 ]" 1
433 1 36 ARG HA 1 39 GLU HB3 5.000 . 5.000 3.728 2.409 4.339 . 0 0 "[ . 1 . 2 ]" 1
434 1 36 ARG HA 1 39 GLU HB2 5.000 . 5.000 3.174 2.304 5.049 0.049 3 0 "[ . 1 . 2 ]" 1
435 1 36 ARG HA 1 40 GLU H 5.000 . 5.000 4.239 3.972 4.383 . 0 0 "[ . 1 . 2 ]" 1
436 1 36 ARG HA 1 40 GLU QG 5.000 . 5.000 4.314 3.691 4.535 . 0 0 "[ . 1 . 2 ]" 1
437 1 37 PHE H 1 37 PHE HB2 3.000 . 3.000 2.400 2.341 2.464 . 0 0 "[ . 1 . 2 ]" 1
438 1 37 PHE H 1 37 PHE QD 2.500 . 2.500 2.340 2.287 2.395 . 0 0 "[ . 1 . 2 ]" 1
439 1 37 PHE HA 1 37 PHE QD 2.500 . 2.500 2.312 2.251 2.401 . 0 0 "[ . 1 . 2 ]" 1
440 1 37 PHE HB3 1 37 PHE QD 2.500 . 2.500 2.312 2.244 2.376 . 0 0 "[ . 1 . 2 ]" 1
441 1 37 PHE HB2 1 37 PHE QD 2.500 . 2.500 2.238 2.191 2.264 . 0 0 "[ . 1 . 2 ]" 1
442 1 37 PHE HA 1 37 PHE QE 5.000 . 5.000 4.256 3.927 4.508 . 0 0 "[ . 1 . 2 ]" 1
443 1 37 PHE HB3 1 37 PHE QE 5.000 . 5.000 4.338 4.297 4.375 . 0 0 "[ . 1 . 2 ]" 1
444 1 37 PHE HB2 1 37 PHE QE 5.000 . 5.000 4.337 4.254 4.392 . 0 0 "[ . 1 . 2 ]" 1
445 1 37 PHE H 1 38 LEU H 2.800 . 2.800 2.851 2.759 2.900 0.100 10 0 "[ . 1 . 2 ]" 1
446 1 37 PHE HB3 1 38 LEU H 3.500 2.300 3.500 3.366 3.152 3.494 . 0 0 "[ . 1 . 2 ]" 1
447 1 37 PHE HB2 1 38 LEU H 3.500 2.300 3.500 2.424 2.231 2.680 0.069 2 0 "[ . 1 . 2 ]" 1
448 1 37 PHE QD 1 38 LEU H 5.000 . 5.000 4.120 4.023 4.203 . 0 0 "[ . 1 . 2 ]" 1
449 1 37 PHE H 1 39 GLU H 5.000 . 5.000 4.106 4.004 4.357 . 0 0 "[ . 1 . 2 ]" 1
450 1 37 PHE H 1 40 GLU QG 5.000 . 5.000 4.475 4.252 4.557 . 0 0 "[ . 1 . 2 ]" 1
451 1 37 PHE HA 1 40 GLU H 5.000 . 5.000 3.636 3.477 3.855 . 0 0 "[ . 1 . 2 ]" 1
452 1 37 PHE HA 1 40 GLU HB3 5.000 . 5.000 4.909 4.493 5.070 0.070 2 0 "[ . 1 . 2 ]" 1
453 1 37 PHE HA 1 40 GLU HB2 5.000 . 5.000 3.766 3.059 5.194 0.194 16 0 "[ . 1 . 2 ]" 1
454 1 37 PHE HA 1 42 ASP H 5.000 . 5.000 4.922 4.600 5.140 0.140 4 0 "[ . 1 . 2 ]" 1
455 1 37 PHE HB3 1 42 ASP H 5.000 . 5.000 4.677 4.116 5.050 0.050 2 0 "[ . 1 . 2 ]" 1
456 1 37 PHE H 1 44 ALA MB 5.500 . 5.500 4.519 4.195 4.639 . 0 0 "[ . 1 . 2 ]" 1
457 1 37 PHE QD 1 44 ALA HA 5.000 . 5.000 4.006 3.372 4.580 . 0 0 "[ . 1 . 2 ]" 1
458 1 37 PHE QD 1 44 ALA MB 5.500 . 5.500 2.792 1.933 3.832 . 0 0 "[ . 1 . 2 ]" 1
459 1 37 PHE HB3 1 44 ALA MB 5.500 . 5.500 2.528 2.223 2.778 . 0 0 "[ . 1 . 2 ]" 1
460 1 37 PHE HB2 1 44 ALA MB 5.500 . 5.500 2.460 2.152 2.639 . 0 0 "[ . 1 . 2 ]" 1
461 1 38 LEU H 1 38 LEU HA 2.800 . 2.800 2.787 2.703 2.861 0.061 7 0 "[ . 1 . 2 ]" 1
462 1 38 LEU HA 1 38 LEU QD 3.000 . 3.000 2.298 1.909 2.396 . 0 0 "[ . 1 . 2 ]" 1
463 1 38 LEU H 1 39 GLU H 2.800 . 2.800 2.683 2.544 2.821 0.021 3 0 "[ . 1 . 2 ]" 1
464 1 38 LEU HA 1 39 GLU H 5.000 . 5.000 3.598 3.488 3.706 . 0 0 "[ . 1 . 2 ]" 1
465 1 38 LEU HB3 1 39 GLU H 4.000 . 4.000 3.313 2.714 3.931 . 0 0 "[ . 1 . 2 ]" 1
466 1 38 LEU HB2 1 39 GLU H 4.000 . 4.000 3.175 2.956 3.392 . 0 0 "[ . 1 . 2 ]" 1
467 1 38 LEU QD 1 39 GLU H 5.500 . 5.500 4.111 3.940 4.242 . 0 0 "[ . 1 . 2 ]" 1
468 1 38 LEU H 1 40 GLU H 5.000 . 5.000 4.185 4.020 4.348 . 0 0 "[ . 1 . 2 ]" 1
469 1 38 LEU HA 1 41 GLY H 5.000 . 5.000 3.538 3.015 4.276 . 0 0 "[ . 1 . 2 ]" 1
470 1 38 LEU HA 1 42 ASP H 5.000 . 5.000 2.539 2.010 3.409 . 0 0 "[ . 1 . 2 ]" 1
471 1 38 LEU MD1 1 42 ASP H 5.500 . 5.500 4.776 4.582 4.924 . 0 0 "[ . 1 . 2 ]" 1
472 1 38 LEU MD2 1 42 ASP H 5.500 . 5.500 4.138 3.302 4.778 . 0 0 "[ . 1 . 2 ]" 1
473 1 38 LEU QD 1 43 LYS HA 5.500 . 5.500 3.077 2.363 3.646 . 0 0 "[ . 1 . 2 ]" 1
474 1 38 LEU H 1 44 ALA MB 5.500 . 5.500 3.643 3.010 4.323 . 0 0 "[ . 1 . 2 ]" 1
475 1 38 LEU HG 1 44 ALA MB 5.500 . 5.500 3.573 2.852 4.628 . 0 0 "[ . 1 . 2 ]" 1
476 1 38 LEU MD1 1 44 ALA MB 6.000 . 6.000 2.222 1.924 4.238 . 0 0 "[ . 1 . 2 ]" 1
477 1 38 LEU MD2 1 44 ALA MB 6.000 . 6.000 3.986 2.289 4.359 . 0 0 "[ . 1 . 2 ]" 1
478 1 38 LEU QD 1 72 LEU MD1 5.500 . 5.500 2.799 2.165 3.386 . 0 0 "[ . 1 . 2 ]" 1
479 1 38 LEU QD 1 72 LEU MD2 5.500 . 5.500 3.081 2.478 3.502 . 0 0 "[ . 1 . 2 ]" 1
480 1 38 LEU HA 1 76 ALA MB 5.500 . 5.500 4.658 4.589 4.740 . 0 0 "[ . 1 . 2 ]" 1
481 1 38 LEU MD1 1 76 ALA MB 4.000 . 4.000 1.892 1.778 2.310 0.022 10 0 "[ . 1 . 2 ]" 1
482 1 38 LEU MD2 1 76 ALA MB 4.000 . 4.000 1.977 1.858 2.242 . 0 0 "[ . 1 . 2 ]" 1
483 1 38 LEU MD1 1 77 VAL HA 5.500 . 5.500 4.850 4.736 4.919 . 0 0 "[ . 1 . 2 ]" 1
484 1 38 LEU MD2 1 77 VAL HA 5.500 . 5.500 4.743 4.689 4.814 . 0 0 "[ . 1 . 2 ]" 1
485 1 38 LEU QD 1 94 LEU QB 5.500 . 5.500 3.299 2.796 3.699 . 0 0 "[ . 1 . 2 ]" 1
486 1 38 LEU QD 1 94 LEU HG 5.500 . 5.500 2.869 1.842 4.180 . 0 0 "[ . 1 . 2 ]" 1
487 1 38 LEU QD 1 94 LEU QD 5.500 . 5.500 1.806 1.732 1.921 0.068 7 0 "[ . 1 . 2 ]" 1
488 1 38 LEU HA 1 95 ALA HA 5.000 . 5.000 5.304 5.195 5.409 0.409 13 0 "[ . 1 . 2 ]" 1
489 1 38 LEU MD1 1 95 ALA HA 5.500 . 5.500 3.904 3.360 4.592 . 0 0 "[ . 1 . 2 ]" 1
490 1 38 LEU MD2 1 95 ALA HA 5.500 . 5.500 3.381 2.321 4.440 . 0 0 "[ . 1 . 2 ]" 1
491 1 39 GLU H 1 39 GLU HA 2.800 . 2.800 2.820 2.791 2.839 0.039 9 0 "[ . 1 . 2 ]" 1
492 1 39 GLU H 1 39 GLU QB 2.500 . 2.500 2.246 2.132 2.331 . 0 0 "[ . 1 . 2 ]" 1
493 1 39 GLU H 1 40 GLU H 2.800 . 2.800 2.476 2.371 2.524 . 0 0 "[ . 1 . 2 ]" 1
494 1 39 GLU H 1 40 GLU HA 5.000 . 5.000 5.044 4.977 5.073 0.073 10 0 "[ . 1 . 2 ]" 1
495 1 39 GLU QB 1 40 GLU H 5.000 . 5.000 2.996 2.539 3.823 . 0 0 "[ . 1 . 2 ]" 1
496 1 39 GLU H 1 41 GLY H 5.000 . 5.000 3.630 3.435 3.894 . 0 0 "[ . 1 . 2 ]" 1
497 1 39 GLU HA 1 75 LEU MD1 5.500 . 5.500 3.847 2.316 4.594 . 0 0 "[ . 1 . 2 ]" 1
498 1 39 GLU HA 1 75 LEU MD2 5.500 . 5.500 2.857 2.279 4.596 . 0 0 "[ . 1 . 2 ]" 1
499 1 39 GLU HG3 1 75 LEU MD1 5.500 . 5.500 3.259 2.071 4.599 . 0 0 "[ . 1 . 2 ]" 1
500 1 39 GLU HG2 1 75 LEU MD1 5.500 . 5.500 3.238 2.266 4.486 . 0 0 "[ . 1 . 2 ]" 1
501 1 39 GLU HG3 1 75 LEU MD2 5.500 . 5.500 3.040 2.081 4.600 . 0 0 "[ . 1 . 2 ]" 1
502 1 39 GLU HG2 1 75 LEU MD2 5.500 . 5.500 2.946 2.114 4.185 . 0 0 "[ . 1 . 2 ]" 1
503 1 40 GLU H 1 40 GLU QG 3.500 . 3.500 2.379 2.055 2.671 . 0 0 "[ . 1 . 2 ]" 1
504 1 40 GLU H 1 41 GLY H 2.800 . 2.800 2.489 2.343 2.628 . 0 0 "[ . 1 . 2 ]" 1
505 1 40 GLU H 1 41 GLY QA 5.000 . 5.000 4.324 4.220 4.443 . 0 0 "[ . 1 . 2 ]" 1
506 1 40 GLU H 1 42 ASP H 5.000 . 5.000 4.190 3.886 4.576 . 0 0 "[ . 1 . 2 ]" 1
507 1 41 GLY H 1 41 GLY HA3 2.800 . 2.800 2.843 2.806 2.865 0.065 10 0 "[ . 1 . 2 ]" 1
508 1 41 GLY H 1 41 GLY HA2 2.800 . 2.800 2.202 2.171 2.236 . 0 0 "[ . 1 . 2 ]" 1
509 1 41 GLY H 1 42 ASP H 2.800 . 2.800 2.482 2.213 2.803 0.003 15 0 "[ . 1 . 2 ]" 1
510 1 41 GLY HA3 1 42 ASP H 3.500 . 3.500 3.619 3.582 3.638 0.138 21 0 "[ . 1 . 2 ]" 1
511 1 41 GLY HA2 1 42 ASP H 3.500 . 3.500 2.511 2.396 2.640 . 0 0 "[ . 1 . 2 ]" 1
512 1 41 GLY QA 1 96 PRO QG 5.000 . 5.000 2.980 2.431 3.606 . 0 0 "[ . 1 . 2 ]" 1
513 1 42 ASP H 1 42 ASP HB2 2.800 . 2.800 2.824 2.793 2.868 0.068 19 0 "[ . 1 . 2 ]" 1
514 1 42 ASP HA 1 42 ASP HB3 2.500 . 2.500 2.442 2.398 2.531 0.031 4 0 "[ . 1 . 2 ]" 1
515 1 42 ASP HA 1 43 LYS H 2.500 . 2.500 2.397 2.256 2.534 0.034 24 0 "[ . 1 . 2 ]" 1
516 1 42 ASP HB3 1 43 LYS H 3.000 . 3.000 2.209 1.943 2.404 . 0 0 "[ . 1 . 2 ]" 1
517 1 42 ASP HB2 1 43 LYS H 3.000 . 3.000 3.094 3.028 3.182 0.182 13 0 "[ . 1 . 2 ]" 1
518 1 42 ASP HA 1 96 PRO QD 5.000 . 5.000 4.513 4.349 4.592 . 0 0 "[ . 1 . 2 ]" 1
519 1 43 LYS HA 1 44 ALA H 2.500 . 2.500 2.182 2.051 2.372 . 0 0 "[ . 1 . 2 ]" 1
520 1 43 LYS HA 1 95 ALA HA 3.500 . 3.500 2.220 2.015 2.414 . 0 0 "[ . 1 . 2 ]" 1
521 1 43 LYS HA 1 95 ALA MB 5.000 . 5.000 3.900 3.705 4.159 . 0 0 "[ . 1 . 2 ]" 1
522 1 43 LYS QB 1 95 ALA MB 5.000 . 5.000 3.495 2.652 3.779 . 0 0 "[ . 1 . 2 ]" 1
523 1 43 LYS QE 1 95 ALA MB 5.500 . 5.500 4.141 3.880 4.255 . 0 0 "[ . 1 . 2 ]" 1
524 1 43 LYS QG 1 95 ALA HA 5.000 . 5.000 2.585 2.022 3.708 . 0 0 "[ . 1 . 2 ]" 1
525 1 43 LYS HA 1 96 PRO HD3 5.000 . 5.000 2.259 1.924 2.784 . 0 0 "[ . 1 . 2 ]" 1
526 1 43 LYS HA 1 96 PRO HD2 5.000 . 5.000 3.672 3.083 4.130 . 0 0 "[ . 1 . 2 ]" 1
527 1 43 LYS QB 1 96 PRO HD3 5.000 . 5.000 3.216 2.652 4.210 . 0 0 "[ . 1 . 2 ]" 1
528 1 43 LYS QB 1 96 PRO HD2 5.000 . 5.000 3.563 2.915 4.534 . 0 0 "[ . 1 . 2 ]" 1
529 1 44 ALA HA 1 45 LYS H 2.500 . 2.500 2.347 2.050 2.518 0.018 21 0 "[ . 1 . 2 ]" 1
530 1 44 ALA MB 1 45 LYS H 3.500 . 3.500 2.938 2.655 3.154 . 0 0 "[ . 1 . 2 ]" 1
531 1 44 ALA H 1 94 LEU H 5.000 . 5.000 4.234 3.616 4.689 . 0 0 "[ . 1 . 2 ]" 1
532 1 44 ALA MB 1 94 LEU QB 5.500 . 5.500 2.526 1.965 3.423 . 0 0 "[ . 1 . 2 ]" 1
533 1 44 ALA MB 1 94 LEU H 5.000 . 5.000 4.178 4.031 4.283 . 0 0 "[ . 1 . 2 ]" 1
534 1 44 ALA MB 1 94 LEU QD 5.000 . 5.000 2.094 1.895 2.525 . 0 0 "[ . 1 . 2 ]" 1
535 1 44 ALA H 1 94 LEU QB 5.000 3.800 5.000 3.528 3.140 4.208 0.660 22 11 "[ *** ** - ** * + *]" 1
536 1 44 ALA H 1 94 LEU MD1 5.500 . 5.500 4.343 3.659 4.983 . 0 0 "[ . 1 . 2 ]" 1
537 1 44 ALA H 1 94 LEU MD2 5.500 . 5.500 4.087 2.885 4.761 . 0 0 "[ . 1 . 2 ]" 1
538 1 44 ALA H 1 95 ALA HA 5.000 . 5.000 3.184 2.562 3.851 . 0 0 "[ . 1 . 2 ]" 1
539 1 45 LYS HA 1 46 ILE H 2.500 . 2.500 2.218 2.140 2.296 . 0 0 "[ . 1 . 2 ]" 1
540 1 45 LYS H 1 46 ILE H 5.000 . 5.000 4.378 4.222 4.497 . 0 0 "[ . 1 . 2 ]" 1
541 1 45 LYS QG 1 46 ILE H 5.000 . 5.000 3.597 3.120 4.483 . 0 0 "[ . 1 . 2 ]" 1
542 1 45 LYS QE 1 91 ILE MD 5.000 . 5.000 3.241 2.001 3.748 . 0 0 "[ . 1 . 2 ]" 1
543 1 45 LYS QE 1 91 ILE MG 5.000 . 5.000 2.754 2.012 3.726 . 0 0 "[ . 1 . 2 ]" 1
544 1 45 LYS QD 1 91 ILE MD 5.500 . 5.500 2.537 1.937 3.970 . 0 0 "[ . 1 . 2 ]" 1
545 1 45 LYS QD 1 91 ILE MG 5.500 . 5.500 2.583 2.002 4.012 . 0 0 "[ . 1 . 2 ]" 1
546 1 45 LYS HA 1 93 VAL HA 2.500 . 2.500 2.618 2.451 2.744 0.244 18 0 "[ . 1 . 2 ]" 1
547 1 45 LYS QB 1 93 VAL HA 5.000 . 5.000 3.426 2.644 4.206 . 0 0 "[ . 1 . 2 ]" 1
548 1 45 LYS QG 1 93 VAL HA 5.000 . 5.000 2.551 2.093 3.061 . 0 0 "[ . 1 . 2 ]" 1
549 1 45 LYS HA 1 93 VAL QG 4.000 . 4.000 2.974 2.789 3.052 . 0 0 "[ . 1 . 2 ]" 1
550 1 45 LYS QB 1 93 VAL QG 5.500 . 5.500 2.935 2.308 3.553 . 0 0 "[ . 1 . 2 ]" 1
551 1 45 LYS QE 1 93 VAL QG 5.500 . 5.500 2.723 1.931 3.670 . 0 0 "[ . 1 . 2 ]" 1
552 1 45 LYS HA 1 94 LEU H 5.000 . 5.000 2.066 1.787 2.401 0.013 6 0 "[ . 1 . 2 ]" 1
553 1 45 LYS HA 1 94 LEU MD2 5.500 . 5.500 4.821 4.718 4.964 . 0 0 "[ . 1 . 2 ]" 1
554 1 46 ILE H 1 46 ILE HB 2.500 . 2.500 2.587 2.550 2.636 0.136 6 0 "[ . 1 . 2 ]" 1
555 1 46 ILE H 1 46 ILE MD 3.000 . 3.000 2.588 2.540 2.628 . 0 0 "[ . 1 . 2 ]" 1
556 1 46 ILE H 1 46 ILE QG 3.500 . 3.500 1.956 1.802 2.269 . 0 0 "[ . 1 . 2 ]" 1
557 1 46 ILE HA 1 46 ILE MG 2.500 . 2.500 2.129 2.102 2.158 . 0 0 "[ . 1 . 2 ]" 1
558 1 46 ILE HA 1 47 THR H 2.500 . 2.500 2.229 2.153 2.287 . 0 0 "[ . 1 . 2 ]" 1
559 1 46 ILE MG 1 47 THR H 3.000 . 3.000 2.527 2.502 2.580 . 0 0 "[ . 1 . 2 ]" 1
560 1 46 ILE HB 1 65 LEU HA 5.000 . 5.000 4.922 4.408 5.102 0.102 20 0 "[ . 1 . 2 ]" 1
561 1 46 ILE MG 1 65 LEU QD 4.000 . 4.000 2.013 1.908 2.260 . 0 0 "[ . 1 . 2 ]" 1
562 1 46 ILE H 1 92 MET H 5.000 . 5.000 3.869 3.545 4.051 . 0 0 "[ . 1 . 2 ]" 1
563 1 46 ILE HB 1 92 MET H 5.000 . 5.000 2.759 2.532 3.160 . 0 0 "[ . 1 . 2 ]" 1
564 1 46 ILE H 1 92 MET QB 5.000 . 5.000 3.983 3.569 4.268 . 0 0 "[ . 1 . 2 ]" 1
565 1 46 ILE MG 1 92 MET H 5.500 . 5.500 3.971 3.753 4.379 . 0 0 "[ . 1 . 2 ]" 1
566 1 46 ILE MG 1 92 MET ME 5.000 . 5.000 3.353 2.992 3.518 . 0 0 "[ . 1 . 2 ]" 1
567 1 46 ILE QG 1 92 MET ME 5.000 . 5.000 2.050 1.949 2.302 . 0 0 "[ . 1 . 2 ]" 1
568 1 46 ILE MD 1 92 MET ME 4.500 2.300 4.500 3.179 3.142 3.203 . 0 0 "[ . 1 . 2 ]" 1
569 1 46 ILE H 1 93 VAL HA 5.000 . 5.000 3.209 2.906 3.569 . 0 0 "[ . 1 . 2 ]" 1
570 1 46 ILE MD 1 94 LEU QB 5.500 . 5.500 2.401 2.137 2.583 . 0 0 "[ . 1 . 2 ]" 1
571 1 46 ILE MD 1 94 LEU HG 5.500 . 5.500 3.241 1.944 4.261 . 0 0 "[ . 1 . 2 ]" 1
572 1 47 THR H 1 47 THR HB 3.000 . 3.000 2.629 2.520 2.738 . 0 0 "[ . 1 . 2 ]" 1
573 1 47 THR HA 1 47 THR MG 3.000 . 3.000 2.238 2.151 2.400 . 0 0 "[ . 1 . 2 ]" 1
574 1 47 THR HA 1 48 LEU H 2.500 . 2.500 2.130 2.020 2.260 . 0 0 "[ . 1 . 2 ]" 1
575 1 47 THR MG 1 48 LEU H 3.500 . 3.500 2.891 2.764 2.939 . 0 0 "[ . 1 . 2 ]" 1
576 1 47 THR MG 1 49 ARG H 5.500 . 5.500 4.647 4.606 4.693 . 0 0 "[ . 1 . 2 ]" 1
577 1 47 THR MG 1 89 GLN QG 5.500 . 5.500 3.057 2.144 4.134 . 0 0 "[ . 1 . 2 ]" 1
578 1 47 THR MG 1 89 GLN HE21 5.500 . 5.500 2.355 1.892 3.266 . 0 0 "[ . 1 . 2 ]" 1
579 1 47 THR MG 1 89 GLN HE22 5.500 . 5.500 2.839 2.395 3.209 . 0 0 "[ . 1 . 2 ]" 1
580 1 47 THR HA 1 91 ILE HA 3.500 . 3.500 2.302 2.151 2.376 . 0 0 "[ . 1 . 2 ]" 1
581 1 47 THR HB 1 91 ILE HA 5.000 . 5.000 5.230 5.130 5.279 0.279 16 0 "[ . 1 . 2 ]" 1
582 1 47 THR HA 1 91 ILE MG 5.000 . 5.000 3.476 2.387 3.650 . 0 0 "[ . 1 . 2 ]" 1
583 1 47 THR HA 1 91 ILE QG 4.000 . 4.000 3.649 3.264 3.788 . 0 0 "[ . 1 . 2 ]" 1
584 1 47 THR HA 1 91 ILE MD 5.500 . 5.500 2.209 1.898 4.698 . 0 0 "[ . 1 . 2 ]" 1
585 1 47 THR MG 1 91 ILE HA 5.500 . 5.500 3.365 3.207 3.599 . 0 0 "[ . 1 . 2 ]" 1
586 1 47 THR MG 1 91 ILE MG 6.000 . 6.000 4.141 3.265 4.238 . 0 0 "[ . 1 . 2 ]" 1
587 1 47 THR MG 1 91 ILE MD 6.000 . 6.000 2.278 1.943 4.157 . 0 0 "[ . 1 . 2 ]" 1
588 1 47 THR MG 1 91 ILE QG 5.500 . 5.500 2.846 2.649 3.096 . 0 0 "[ . 1 . 2 ]" 1
589 1 47 THR HA 1 92 MET H 5.000 . 5.000 3.476 3.323 3.620 . 0 0 "[ . 1 . 2 ]" 1
590 1 48 LEU H 1 48 LEU HB3 3.000 . 3.000 3.047 2.664 3.192 0.192 9 0 "[ . 1 . 2 ]" 1
591 1 48 LEU H 1 48 LEU HB2 3.000 . 3.000 2.196 1.895 2.524 . 0 0 "[ . 1 . 2 ]" 1
592 1 48 LEU HA 1 49 ARG H 2.500 . 2.500 2.482 2.423 2.545 0.045 14 0 "[ . 1 . 2 ]" 1
593 1 48 LEU QD 1 50 PHE QE 5.500 . 5.500 2.542 1.992 3.193 . 0 0 "[ . 1 . 2 ]" 1
594 1 48 LEU QB 1 50 PHE QE 3.500 . 3.500 2.821 2.496 2.973 . 0 0 "[ . 1 . 2 ]" 1
595 1 48 LEU HG 1 50 PHE QE 5.000 . 5.000 3.802 2.864 4.687 . 0 0 "[ . 1 . 2 ]" 1
596 1 48 LEU QD 1 61 GLY HA3 5.000 . 5.000 2.504 2.055 3.290 . 0 0 "[ . 1 . 2 ]" 1
597 1 48 LEU QD 1 61 GLY HA2 5.000 . 5.000 1.840 1.773 1.940 0.027 14 0 "[ . 1 . 2 ]" 1
598 1 48 LEU QD 1 61 GLY H 5.000 . 5.000 3.502 3.167 3.743 . 0 0 "[ . 1 . 2 ]" 1
599 1 48 LEU QD 1 64 VAL H 5.500 . 5.500 4.070 3.823 4.134 . 0 0 "[ . 1 . 2 ]" 1
600 1 48 LEU QD 1 64 VAL MG2 5.500 . 5.500 3.381 2.901 3.449 . 0 0 "[ . 1 . 2 ]" 1
601 1 48 LEU QD 1 64 VAL HB 4.000 . 4.000 2.793 2.368 3.010 . 0 0 "[ . 1 . 2 ]" 1
602 1 48 LEU QD 1 65 LEU HG 5.500 . 5.500 2.155 1.860 3.710 . 0 0 "[ . 1 . 2 ]" 1
603 1 48 LEU QB 1 65 LEU MD1 5.500 . 5.500 3.076 2.265 3.588 . 0 0 "[ . 1 . 2 ]" 1
604 1 48 LEU QB 1 65 LEU MD2 5.500 . 5.500 3.207 2.093 3.932 . 0 0 "[ . 1 . 2 ]" 1
605 1 48 LEU HG 1 65 LEU MD1 5.500 . 5.500 3.685 2.129 4.388 . 0 0 "[ . 1 . 2 ]" 1
606 1 48 LEU HG 1 65 LEU MD2 5.500 . 5.500 3.909 2.476 4.650 . 0 0 "[ . 1 . 2 ]" 1
607 1 48 LEU H 1 90 MET H 5.000 . 5.000 2.939 2.524 3.523 . 0 0 "[ . 1 . 2 ]" 1
608 1 48 LEU HB3 1 90 MET H 5.000 . 5.000 2.026 1.757 2.361 0.043 12 0 "[ . 1 . 2 ]" 1
609 1 48 LEU HB2 1 90 MET H 5.000 . 5.000 2.719 1.947 3.871 . 0 0 "[ . 1 . 2 ]" 1
610 1 48 LEU HG 1 90 MET H 5.000 . 5.000 4.293 3.439 5.059 0.059 11 0 "[ . 1 . 2 ]" 1
611 1 48 LEU QB 1 90 MET H 5.000 . 5.000 1.939 1.710 2.225 0.090 3 0 "[ . 1 . 2 ]" 1
612 1 48 LEU QD 1 90 MET H 5.500 . 5.500 3.536 3.072 3.792 . 0 0 "[ . 1 . 2 ]" 1
613 1 48 LEU QD 1 90 MET QG 5.500 . 5.500 3.709 3.642 3.794 . 0 0 "[ . 1 . 2 ]" 1
614 1 48 LEU QD 1 90 MET ME 5.500 . 5.500 2.703 2.060 3.448 . 0 0 "[ . 1 . 2 ]" 1
615 1 48 LEU QD 1 90 MET HB3 5.500 . 5.500 2.424 1.933 2.862 . 0 0 "[ . 1 . 2 ]" 1
616 1 48 LEU QD 1 90 MET HB2 5.500 . 5.500 3.571 2.475 4.214 . 0 0 "[ . 1 . 2 ]" 1
617 1 48 LEU H 1 91 ILE HA 5.000 . 5.000 2.968 2.582 3.255 . 0 0 "[ . 1 . 2 ]" 1
618 1 48 LEU H 1 91 ILE MG 5.500 . 5.500 4.714 4.059 4.811 . 0 0 "[ . 1 . 2 ]" 1
619 1 48 LEU H 1 91 ILE QG 5.000 . 5.000 4.449 4.254 4.504 . 0 0 "[ . 1 . 2 ]" 1
620 1 48 LEU H 1 92 MET H 5.000 . 5.000 3.888 3.529 4.546 . 0 0 "[ . 1 . 2 ]" 1
621 1 49 ARG H 1 49 ARG QB 3.000 . 3.000 2.767 2.747 2.804 . 0 0 "[ . 1 . 2 ]" 1
622 1 49 ARG HA 1 49 ARG QG 3.000 . 3.000 2.289 2.141 2.444 . 0 0 "[ . 1 . 2 ]" 1
623 1 49 ARG H 1 50 PHE QD 5.000 . 5.000 4.295 4.175 4.463 . 0 0 "[ . 1 . 2 ]" 1
624 1 49 ARG H 1 50 PHE QB 5.000 . 5.000 4.735 4.693 4.786 . 0 0 "[ . 1 . 2 ]" 1
625 1 49 ARG HA 1 50 PHE H 2.500 . 2.500 1.975 1.908 2.040 . 0 0 "[ . 1 . 2 ]" 1
626 1 49 ARG QG 1 50 PHE H 3.500 2.300 3.500 3.228 3.158 3.277 . 0 0 "[ . 1 . 2 ]" 1
627 1 49 ARG H 1 89 GLN HA 5.000 . 5.000 4.164 3.944 4.408 . 0 0 "[ . 1 . 2 ]" 1
628 1 49 ARG HA 1 89 GLN HA 3.000 . 3.000 2.410 2.190 2.542 . 0 0 "[ . 1 . 2 ]" 1
629 1 49 ARG QB 1 89 GLN HA 5.000 . 5.000 4.371 4.195 4.494 . 0 0 "[ . 1 . 2 ]" 1
630 1 49 ARG QG 1 89 GLN HA 5.000 . 5.000 4.114 3.744 4.341 . 0 0 "[ . 1 . 2 ]" 1
631 1 49 ARG HA 1 89 GLN QB 5.000 . 5.000 3.302 2.109 3.689 . 0 0 "[ . 1 . 2 ]" 1
632 1 49 ARG HA 1 89 GLN QG 5.000 . 5.000 2.272 1.917 3.944 . 0 0 "[ . 1 . 2 ]" 1
633 1 49 ARG QG 1 89 GLN QG 5.000 . 5.000 2.597 2.239 3.928 . 0 0 "[ . 1 . 2 ]" 1
634 1 49 ARG HA 1 90 MET H 5.000 . 5.000 3.830 3.543 3.986 . 0 0 "[ . 1 . 2 ]" 1
635 1 50 PHE H 1 50 PHE QB 3.000 . 3.000 2.146 1.871 2.459 . 0 0 "[ . 1 . 2 ]" 1
636 1 50 PHE H 1 50 PHE QD 2.500 . 2.500 2.220 1.962 2.365 . 0 0 "[ . 1 . 2 ]" 1
637 1 50 PHE HA 1 50 PHE QD 2.500 . 2.500 2.481 2.372 2.649 0.149 7 0 "[ . 1 . 2 ]" 1
638 1 50 PHE HB3 1 50 PHE QD 2.500 . 2.500 2.339 2.289 2.382 . 0 0 "[ . 1 . 2 ]" 1
639 1 50 PHE HB2 1 50 PHE QD 2.500 . 2.500 2.252 2.156 2.321 . 0 0 "[ . 1 . 2 ]" 1
640 1 50 PHE HA 1 50 PHE QE 5.000 . 5.000 4.256 3.935 4.466 . 0 0 "[ . 1 . 2 ]" 1
641 1 50 PHE HB3 1 50 PHE QE 5.000 . 5.000 4.282 4.204 4.376 . 0 0 "[ . 1 . 2 ]" 1
642 1 50 PHE HB2 1 50 PHE QE 5.000 . 5.000 4.288 4.184 4.350 . 0 0 "[ . 1 . 2 ]" 1
643 1 50 PHE HA 1 51 ARG H 2.500 . 2.500 2.359 2.149 2.544 0.044 15 0 "[ . 1 . 2 ]" 1
644 1 50 PHE HB3 1 51 ARG H 4.000 . 4.000 3.010 2.092 4.045 0.045 16 0 "[ . 1 . 2 ]" 1
645 1 50 PHE HB2 1 51 ARG H 4.000 . 4.000 3.988 3.452 4.252 0.252 8 0 "[ . 1 . 2 ]" 1
646 1 50 PHE QD 1 53 ARG H 5.000 . 5.000 4.550 4.295 4.781 . 0 0 "[ . 1 . 2 ]" 1
647 1 50 PHE HB3 1 53 ARG H 5.000 . 5.000 3.491 2.415 4.603 . 0 0 "[ . 1 . 2 ]" 1
648 1 50 PHE HB2 1 53 ARG H 5.000 . 5.000 4.106 2.871 5.152 0.152 16 0 "[ . 1 . 2 ]" 1
649 1 50 PHE QD 1 56 ALA H 5.000 . 5.000 4.579 4.467 4.661 . 0 0 "[ . 1 . 2 ]" 1
650 1 50 PHE QD 1 56 ALA MB 5.000 . 5.000 3.092 2.511 4.078 . 0 0 "[ . 1 . 2 ]" 1
651 1 50 PHE QD 1 57 HIS H 5.000 . 5.000 3.484 2.326 4.545 . 0 0 "[ . 1 . 2 ]" 1
652 1 50 PHE QD 1 60 ILE HA 5.000 . 5.000 4.745 4.519 4.856 . 0 0 "[ . 1 . 2 ]" 1
653 1 50 PHE QD 1 60 ILE MG 5.000 . 5.000 1.970 1.826 2.118 . 0 0 "[ . 1 . 2 ]" 1
654 1 50 PHE QD 1 60 ILE H 5.000 . 5.000 4.668 4.539 5.009 0.009 11 0 "[ . 1 . 2 ]" 1
655 1 50 PHE QD 1 60 ILE MD 5.000 . 5.000 3.019 2.105 3.828 . 0 0 "[ . 1 . 2 ]" 1
656 1 50 PHE QE 1 61 GLY H 3.500 . 3.500 2.370 2.100 3.397 . 0 0 "[ . 1 . 2 ]" 1
657 1 50 PHE HZ 1 61 GLY HA3 3.500 . 3.500 2.732 2.553 3.361 . 0 0 "[ . 1 . 2 ]" 1
658 1 50 PHE HZ 1 61 GLY HA2 3.500 . 3.500 3.448 2.146 3.616 0.116 14 0 "[ . 1 . 2 ]" 1
659 1 50 PHE HZ 1 62 MET H 5.000 . 5.000 5.078 4.844 5.158 0.158 9 0 "[ . 1 . 2 ]" 1
660 1 50 PHE QE 1 85 ILE HB 5.000 . 5.000 4.608 4.512 4.684 . 0 0 "[ . 1 . 2 ]" 1
661 1 50 PHE QD 1 85 ILE MD 5.500 . 5.500 3.554 3.138 4.078 . 0 0 "[ . 1 . 2 ]" 1
662 1 50 PHE QD 1 85 ILE MG 5.500 . 5.500 2.852 2.477 3.610 . 0 0 "[ . 1 . 2 ]" 1
663 1 50 PHE QD 1 88 ARG HA 5.000 . 5.000 3.712 3.390 4.255 . 0 0 "[ . 1 . 2 ]" 1
664 1 50 PHE H 1 89 GLN HA 5.000 . 5.000 2.523 2.337 2.679 . 0 0 "[ . 1 . 2 ]" 1
665 1 50 PHE H 1 89 GLN HB3 5.000 . 5.000 4.718 3.621 5.147 0.147 8 0 "[ . 1 . 2 ]" 1
666 1 50 PHE H 1 89 GLN HB2 5.000 . 5.000 4.855 3.758 5.148 0.148 18 0 "[ . 1 . 2 ]" 1
667 1 50 PHE H 1 89 GLN QG 5.000 . 5.000 3.535 3.120 4.532 . 0 0 "[ . 1 . 2 ]" 1
668 1 50 PHE QD 1 89 GLN HB3 5.000 . 5.000 4.531 3.999 4.653 . 0 0 "[ . 1 . 2 ]" 1
669 1 50 PHE QD 1 89 GLN HB2 5.000 . 5.000 4.514 3.902 4.683 . 0 0 "[ . 1 . 2 ]" 1
670 1 50 PHE QD 1 89 GLN QG 5.000 . 5.000 4.073 3.969 4.289 . 0 0 "[ . 1 . 2 ]" 1
671 1 50 PHE QB 1 89 GLN H 5.000 . 5.000 4.416 4.029 4.553 . 0 0 "[ . 1 . 2 ]" 1
672 1 50 PHE QD 1 89 GLN H 5.000 . 5.000 3.133 2.864 3.264 . 0 0 "[ . 1 . 2 ]" 1
673 1 50 PHE H 1 90 MET H 5.000 . 5.000 4.208 3.981 4.478 . 0 0 "[ . 1 . 2 ]" 1
674 1 50 PHE QE 1 90 MET H 5.000 . 5.000 2.740 2.300 3.100 . 0 0 "[ . 1 . 2 ]" 1
675 1 50 PHE QE 1 90 MET HB3 5.000 . 5.000 2.744 2.369 3.562 . 0 0 "[ . 1 . 2 ]" 1
676 1 50 PHE QE 1 90 MET HB2 5.000 . 5.000 1.997 1.887 2.107 . 0 0 "[ . 1 . 2 ]" 1
677 1 50 PHE QE 1 90 MET QG 5.000 . 5.000 3.966 3.401 4.066 . 0 0 "[ . 1 . 2 ]" 1
678 1 50 PHE QE 1 90 MET ME 5.000 . 5.000 3.285 2.833 3.721 . 0 0 "[ . 1 . 2 ]" 1
679 1 51 ARG HA 1 52 GLY H 2.800 . 2.800 2.632 2.173 3.229 0.429 5 0 "[ . 1 . 2 ]" 1
680 1 52 GLY HA3 1 53 ARG H 3.000 . 3.000 2.665 1.839 3.192 0.192 7 0 "[ . 1 . 2 ]" 1
681 1 52 GLY HA2 1 53 ARG H 3.000 . 3.000 2.764 1.898 3.315 0.315 2 0 "[ . 1 . 2 ]" 1
682 1 53 ARG HA 1 54 GLU H 2.800 . 2.800 2.715 2.147 3.218 0.418 7 0 "[ . 1 . 2 ]" 1
683 1 53 ARG H 1 57 HIS HD2 5.000 . 5.000 4.330 2.101 5.125 0.125 15 0 "[ . 1 . 2 ]" 1
684 1 56 ALA MB 1 57 HIS H 4.000 . 4.000 2.541 1.466 3.424 0.334 20 0 "[ . 1 . 2 ]" 1
685 1 56 ALA MB 1 57 HIS HD2 5.500 . 5.500 3.174 1.922 4.531 . 0 0 "[ . 1 . 2 ]" 1
686 1 56 ALA HA 1 57 HIS H 2.800 . 2.800 2.525 2.075 3.179 0.379 1 0 "[ . 1 . 2 ]" 1
687 1 56 ALA HA 1 85 ILE MD 5.500 . 5.500 3.582 2.515 4.678 . 0 0 "[ . 1 . 2 ]" 1
688 1 56 ALA MB 1 85 ILE MD 5.500 . 5.500 2.274 1.891 4.164 . 0 0 "[ . 1 . 2 ]" 1
689 1 57 HIS HA 1 57 HIS QB 2.500 . 2.500 2.242 2.121 2.406 . 0 0 "[ . 1 . 2 ]" 1
690 1 57 HIS QB 1 59 GLN H 5.000 . 5.000 2.107 1.693 3.744 0.107 22 0 "[ . 1 . 2 ]" 1
691 1 57 HIS HA 1 60 ILE HB 4.000 . 4.000 4.242 3.270 4.483 0.483 24 0 "[ . 1 . 2 ]" 1
692 1 57 HIS HA 1 60 ILE H 5.000 . 5.000 4.144 3.366 4.708 . 0 0 "[ . 1 . 2 ]" 1
693 1 57 HIS HA 1 60 ILE MD 5.500 2.300 5.500 4.306 3.274 4.657 . 0 0 "[ . 1 . 2 ]" 1
694 1 57 HIS QB 1 60 ILE H 5.000 . 5.000 1.941 1.586 4.540 0.214 11 0 "[ . 1 . 2 ]" 1
695 1 57 HIS QB 1 60 ILE HB 5.000 . 5.000 2.092 1.766 4.315 0.034 3 0 "[ . 1 . 2 ]" 1
696 1 57 HIS QB 1 60 ILE QG 5.000 . 5.000 2.704 2.166 4.197 . 0 0 "[ . 1 . 2 ]" 1
697 1 57 HIS QB 1 60 ILE MD 5.500 . 5.500 2.686 2.126 4.242 . 0 0 "[ . 1 . 2 ]" 1
698 1 57 HIS HD2 1 60 ILE MD 5.500 . 5.500 2.884 1.901 4.590 . 0 0 "[ . 1 . 2 ]" 1
699 1 57 HIS HD2 1 60 ILE MG 5.500 . 5.500 4.319 3.154 4.803 . 0 0 "[ . 1 . 2 ]" 1
700 1 57 HIS HD2 1 60 ILE HB 5.000 . 5.000 3.776 2.252 4.629 . 0 0 "[ . 1 . 2 ]" 1
701 1 57 HIS QB 1 85 ILE MD 5.500 . 5.500 3.847 1.892 4.184 . 0 0 "[ . 1 . 2 ]" 1
702 1 57 HIS HD2 1 85 ILE MD 5.500 . 5.500 4.405 2.142 4.785 . 0 0 "[ . 1 . 2 ]" 1
703 1 58 GLN HA 1 59 GLN H 3.000 . 3.000 3.080 2.749 3.239 0.239 20 0 "[ . 1 . 2 ]" 1
704 1 58 GLN HA 1 60 ILE H 5.000 . 5.000 4.404 3.919 4.958 . 0 0 "[ . 1 . 2 ]" 1
705 1 58 GLN HA 1 61 GLY H 5.000 . 5.000 3.291 2.302 5.070 0.070 9 0 "[ . 1 . 2 ]" 1
706 1 59 GLN HA 1 59 GLN HB3 2.500 . 2.500 2.432 2.384 2.461 . 0 0 "[ . 1 . 2 ]" 1
707 1 59 GLN H 1 59 GLN HB2 3.000 . 3.000 2.754 2.602 2.930 . 0 0 "[ . 1 . 2 ]" 1
708 1 59 GLN H 1 59 GLN QG 3.000 . 3.000 2.171 1.928 2.687 . 0 0 "[ . 1 . 2 ]" 1
709 1 59 GLN HB3 1 60 ILE H 3.500 . 3.500 3.586 3.528 3.656 0.156 11 0 "[ . 1 . 2 ]" 1
710 1 59 GLN QG 1 60 ILE H 3.500 . 3.500 3.228 3.177 3.298 . 0 0 "[ . 1 . 2 ]" 1
711 1 59 GLN H 1 61 GLY H 5.000 . 5.000 3.316 2.207 4.806 . 0 0 "[ . 1 . 2 ]" 1
712 1 59 GLN HA 1 61 GLY H 5.000 . 5.000 4.448 4.162 4.925 . 0 0 "[ . 1 . 2 ]" 1
713 1 59 GLN HA 1 62 MET QB 5.000 . 5.000 4.384 3.707 4.554 . 0 0 "[ . 1 . 2 ]" 1
714 1 59 GLN HA 1 62 MET H 5.000 . 5.000 3.874 3.371 4.549 . 0 0 "[ . 1 . 2 ]" 1
715 1 60 ILE H 1 60 ILE HA 2.800 . 2.800 2.715 2.670 2.774 . 0 0 "[ . 1 . 2 ]" 1
716 1 60 ILE H 1 60 ILE HB 2.500 . 2.500 2.183 1.977 2.430 . 0 0 "[ . 1 . 2 ]" 1
717 1 60 ILE H 1 60 ILE MD 4.000 . 4.000 3.329 1.952 3.476 . 0 0 "[ . 1 . 2 ]" 1
718 1 60 ILE H 1 60 ILE HG13 3.500 . 3.500 2.179 1.717 3.568 0.083 20 0 "[ . 1 . 2 ]" 1
719 1 60 ILE H 1 60 ILE HG12 3.500 . 3.500 3.381 2.619 3.650 0.150 24 0 "[ . 1 . 2 ]" 1
720 1 60 ILE HA 1 60 ILE MG 3.000 . 3.000 2.273 2.133 2.377 . 0 0 "[ . 1 . 2 ]" 1
721 1 60 ILE HA 1 60 ILE HB 3.000 . 3.000 2.950 2.862 3.000 0.000 11 0 "[ . 1 . 2 ]" 1
722 1 60 ILE H 1 61 GLY H 2.800 . 2.800 2.766 2.383 3.319 0.519 9 1 "[ . +1 . 2 ]" 1
723 1 60 ILE MG 1 61 GLY H 4.000 . 4.000 3.334 2.943 3.431 . 0 0 "[ . 1 . 2 ]" 1
724 1 60 ILE HB 1 61 GLY H 3.500 . 3.500 2.897 2.414 3.840 0.340 11 0 "[ . 1 . 2 ]" 1
725 1 60 ILE HA 1 62 MET H 5.000 . 5.000 5.036 4.298 5.174 0.174 2 0 "[ . 1 . 2 ]" 1
726 1 60 ILE H 1 62 MET H 5.000 . 5.000 4.559 4.225 4.721 . 0 0 "[ . 1 . 2 ]" 1
727 1 60 ILE HA 1 63 GLU H 5.000 . 5.000 4.352 3.692 4.590 . 0 0 "[ . 1 . 2 ]" 1
728 1 60 ILE HA 1 63 GLU HB3 5.000 . 5.000 4.959 4.720 5.055 0.055 13 0 "[ . 1 . 2 ]" 1
729 1 60 ILE HA 1 63 GLU HB2 5.000 . 5.000 4.781 4.479 5.012 0.012 4 0 "[ . 1 . 2 ]" 1
730 1 60 ILE HA 1 64 VAL H 5.000 . 5.000 4.861 4.163 5.055 0.055 21 0 "[ . 1 . 2 ]" 1
731 1 61 GLY H 1 61 GLY HA3 2.500 . 2.500 2.268 2.185 2.785 0.285 9 0 "[ . 1 . 2 ]" 1
732 1 61 GLY H 1 61 GLY HA2 3.000 . 3.000 2.770 2.541 2.862 . 0 0 "[ . 1 . 2 ]" 1
733 1 61 GLY H 1 62 MET H 2.800 . 2.800 2.759 2.521 2.936 0.136 11 0 "[ . 1 . 2 ]" 1
734 1 61 GLY HA3 1 62 MET H 3.500 . 3.500 2.615 1.854 2.772 . 0 0 "[ . 1 . 2 ]" 1
735 1 61 GLY H 1 63 GLU H 5.000 . 5.000 4.145 2.798 4.456 . 0 0 "[ . 1 . 2 ]" 1
736 1 61 GLY HA3 1 63 GLU H 5.000 . 5.000 4.604 4.040 4.760 . 0 0 "[ . 1 . 2 ]" 1
737 1 61 GLY HA2 1 63 GLU H 5.000 . 5.000 4.455 4.255 4.673 . 0 0 "[ . 1 . 2 ]" 1
738 1 61 GLY HA3 1 64 VAL HB 5.000 . 5.000 5.097 5.026 5.153 0.153 11 0 "[ . 1 . 2 ]" 1
739 1 61 GLY HA2 1 64 VAL HB 5.000 . 5.000 3.597 3.422 4.097 . 0 0 "[ . 1 . 2 ]" 1
740 1 61 GLY HA2 1 64 VAL H 5.000 . 5.000 4.051 3.787 4.613 . 0 0 "[ . 1 . 2 ]" 1
741 1 62 MET H 1 62 MET QB 2.500 . 2.500 2.269 2.096 2.368 . 0 0 "[ . 1 . 2 ]" 1
742 1 62 MET H 1 62 MET HG3 3.500 2.800 3.500 3.201 2.661 3.811 0.311 16 0 "[ . 1 . 2 ]" 1
743 1 62 MET H 1 62 MET HG2 3.500 2.800 3.500 3.123 2.678 3.565 0.122 18 0 "[ . 1 . 2 ]" 1
744 1 62 MET H 1 63 GLU H 2.800 . 2.800 2.817 2.668 2.858 0.058 23 0 "[ . 1 . 2 ]" 1
745 1 62 MET HA 1 63 GLU H 5.000 . 5.000 3.458 3.280 3.585 . 0 0 "[ . 1 . 2 ]" 1
746 1 62 MET H 1 64 VAL H 5.000 . 5.000 4.404 4.119 4.620 . 0 0 "[ . 1 . 2 ]" 1
747 1 62 MET HA 1 64 VAL H 5.000 . 5.000 3.934 3.579 4.470 . 0 0 "[ . 1 . 2 ]" 1
748 1 62 MET HA 1 65 LEU H 5.000 . 5.000 3.436 3.110 3.944 . 0 0 "[ . 1 . 2 ]" 1
749 1 62 MET HA 1 65 LEU QB 5.000 . 5.000 2.283 2.016 2.864 . 0 0 "[ . 1 . 2 ]" 1
750 1 62 MET HA 1 65 LEU QD 5.500 . 5.500 3.206 2.966 3.547 . 0 0 "[ . 1 . 2 ]" 1
751 1 62 MET H 1 65 LEU QD 5.500 . 5.500 4.122 3.977 4.226 . 0 0 "[ . 1 . 2 ]" 1
752 1 62 MET HA 1 66 ASN H 5.000 . 5.000 2.632 2.448 2.828 . 0 0 "[ . 1 . 2 ]" 1
753 1 62 MET HB3 1 66 ASN H 5.000 . 5.000 4.593 3.896 5.137 0.137 5 0 "[ . 1 . 2 ]" 1
754 1 62 MET HB2 1 66 ASN H 5.000 . 5.000 4.660 3.858 5.356 0.356 8 0 "[ . 1 . 2 ]" 1
755 1 62 MET QG 1 66 ASN H 5.000 . 5.000 4.461 3.721 4.733 . 0 0 "[ . 1 . 2 ]" 1
756 1 62 MET HA 1 81 PHE QE 3.500 . 3.500 3.163 3.013 3.280 . 0 0 "[ . 1 . 2 ]" 1
757 1 62 MET H 1 90 MET ME 5.500 . 5.500 3.838 3.162 4.585 . 0 0 "[ . 1 . 2 ]" 1
758 1 63 GLU H 1 63 GLU HB2 2.500 . 2.500 2.519 2.475 2.548 0.048 10 0 "[ . 1 . 2 ]" 1
759 1 63 GLU H 1 63 GLU QG 5.000 . 5.000 4.210 4.121 4.240 . 0 0 "[ . 1 . 2 ]" 1
760 1 63 GLU HA 1 63 GLU HB3 3.000 . 3.000 3.050 3.019 3.092 0.092 7 0 "[ . 1 . 2 ]" 1
761 1 63 GLU H 1 64 VAL H 2.800 . 2.800 2.509 2.135 2.713 . 0 0 "[ . 1 . 2 ]" 1
762 1 63 GLU HA 1 64 VAL H 5.000 . 5.000 3.506 3.429 3.557 . 0 0 "[ . 1 . 2 ]" 1
763 1 63 GLU QB 1 64 VAL H 5.000 . 5.000 2.344 2.075 2.602 . 0 0 "[ . 1 . 2 ]" 1
764 1 63 GLU HA 1 65 LEU H 5.000 . 5.000 5.180 5.137 5.274 0.274 11 0 "[ . 1 . 2 ]" 1
765 1 63 GLU H 1 65 LEU H 5.000 . 5.000 4.499 4.313 4.667 . 0 0 "[ . 1 . 2 ]" 1
766 1 63 GLU HA 1 66 ASN H 5.000 . 5.000 4.339 4.176 4.474 . 0 0 "[ . 1 . 2 ]" 1
767 1 63 GLU HA 1 66 ASN HB3 3.500 . 3.500 3.520 3.422 3.564 0.064 14 0 "[ . 1 . 2 ]" 1
768 1 63 GLU HA 1 66 ASN HB2 5.000 . 5.000 3.935 3.429 4.269 . 0 0 "[ . 1 . 2 ]" 1
769 1 63 GLU HA 1 66 ASN HD21 5.000 . 5.000 3.635 3.455 4.347 . 0 0 "[ . 1 . 2 ]" 1
770 1 63 GLU HA 1 66 ASN HD22 5.000 . 5.000 5.199 5.152 5.230 0.230 23 0 "[ . 1 . 2 ]" 1
771 1 63 GLU HA 1 67 ARG H 5.000 . 5.000 4.077 3.895 4.202 . 0 0 "[ . 1 . 2 ]" 1
772 1 64 VAL H 1 64 VAL HB 2.500 . 2.500 2.481 2.424 2.533 0.033 9 0 "[ . 1 . 2 ]" 1
773 1 64 VAL H 1 64 VAL MG2 3.000 . 3.000 1.782 1.688 1.866 0.112 20 0 "[ . 1 . 2 ]" 1
774 1 64 VAL HA 1 64 VAL MG1 3.000 . 3.000 2.097 2.041 2.152 . 0 0 "[ . 1 . 2 ]" 1
775 1 64 VAL HA 1 64 VAL MG2 3.000 . 3.000 1.949 1.899 2.007 . 0 0 "[ . 1 . 2 ]" 1
776 1 64 VAL HB 1 65 LEU H 3.000 . 3.000 2.161 1.804 2.267 . 0 0 "[ . 1 . 2 ]" 1
777 1 64 VAL HB 1 65 LEU QB 5.000 . 5.000 4.232 3.598 4.482 . 0 0 "[ . 1 . 2 ]" 1
778 1 64 VAL HB 1 65 LEU HG 5.000 . 5.000 3.539 2.943 5.191 0.191 9 0 "[ . 1 . 2 ]" 1
779 1 64 VAL MG1 1 65 LEU H 4.000 . 4.000 3.159 2.808 3.299 . 0 0 "[ . 1 . 2 ]" 1
780 1 64 VAL HA 1 66 ASN H 5.000 . 5.000 4.745 4.612 4.846 . 0 0 "[ . 1 . 2 ]" 1
781 1 64 VAL H 1 66 ASN H 5.000 . 5.000 4.197 3.924 4.388 . 0 0 "[ . 1 . 2 ]" 1
782 1 64 VAL HA 1 67 ARG H 5.000 . 5.000 3.580 3.502 3.685 . 0 0 "[ . 1 . 2 ]" 1
783 1 64 VAL HA 1 67 ARG HB3 5.000 . 5.000 3.046 2.846 3.279 . 0 0 "[ . 1 . 2 ]" 1
784 1 64 VAL HA 1 67 ARG HB2 5.000 . 5.000 4.570 4.332 4.855 . 0 0 "[ . 1 . 2 ]" 1
785 1 64 VAL HA 1 67 ARG HE 5.000 . 5.000 3.444 2.882 5.046 0.046 22 0 "[ . 1 . 2 ]" 1
786 1 64 VAL MG1 1 67 ARG H 5.500 . 5.500 4.631 4.602 4.689 . 0 0 "[ . 1 . 2 ]" 1
787 1 64 VAL MG2 1 67 ARG H 5.500 . 5.500 4.891 4.845 4.947 . 0 0 "[ . 1 . 2 ]" 1
788 1 64 VAL HA 1 68 VAL H 5.000 . 5.000 4.518 4.420 4.622 . 0 0 "[ . 1 . 2 ]" 1
789 1 65 LEU H 1 65 LEU QD 4.000 . 4.000 2.779 2.063 2.988 . 0 0 "[ . 1 . 2 ]" 1
790 1 65 LEU H 1 66 ASN H 2.800 . 2.800 2.920 2.859 2.990 0.190 19 0 "[ . 1 . 2 ]" 1
791 1 65 LEU MD1 1 66 ASN H 5.000 . 5.000 4.097 3.930 4.266 . 0 0 "[ . 1 . 2 ]" 1
792 1 65 LEU MD2 1 66 ASN H 5.000 . 5.000 4.326 4.088 4.395 . 0 0 "[ . 1 . 2 ]" 1
793 1 65 LEU H 1 67 ARG H 5.000 . 5.000 4.226 4.120 4.361 . 0 0 "[ . 1 . 2 ]" 1
794 1 65 LEU HA 1 67 ARG H 5.000 . 5.000 4.496 4.408 4.608 . 0 0 "[ . 1 . 2 ]" 1
795 1 65 LEU HA 1 68 VAL H 5.000 . 5.000 3.353 3.228 3.464 . 0 0 "[ . 1 . 2 ]" 1
796 1 65 LEU HA 1 68 VAL HB 5.000 . 5.000 3.447 3.293 3.564 . 0 0 "[ . 1 . 2 ]" 1
797 1 65 LEU HA 1 81 PHE QE 5.000 . 5.000 4.323 3.880 4.494 . 0 0 "[ . 1 . 2 ]" 1
798 1 65 LEU QD 1 81 PHE QE 5.000 . 5.000 3.124 2.754 3.357 . 0 0 "[ . 1 . 2 ]" 1
799 1 65 LEU QD 1 82 PRO QD 5.500 . 5.500 3.266 2.590 3.694 . 0 0 "[ . 1 . 2 ]" 1
800 1 65 LEU QD 1 92 MET H 5.500 . 5.500 3.233 2.862 3.754 . 0 0 "[ . 1 . 2 ]" 1
801 1 65 LEU QD 1 92 MET QB 5.500 . 5.500 1.832 1.692 2.166 0.108 5 0 "[ . 1 . 2 ]" 1
802 1 65 LEU QD 1 92 MET ME 4.000 . 4.000 2.392 1.930 2.569 . 0 0 "[ . 1 . 2 ]" 1
803 1 66 ASN H 1 66 ASN HA 2.800 . 2.800 2.829 2.773 2.849 0.049 10 0 "[ . 1 . 2 ]" 1
804 1 66 ASN H 1 66 ASN HB2 2.500 . 2.500 1.641 1.542 1.825 . 0 0 "[ . 1 . 2 ]" 1
805 1 66 ASN H 1 66 ASN HB3 3.000 . 3.000 2.828 2.696 3.019 0.019 10 0 "[ . 1 . 2 ]" 1
806 1 66 ASN HA 1 66 ASN HB3 2.500 . 2.500 2.848 2.808 2.875 0.375 6 0 "[ . 1 . 2 ]" 1
807 1 66 ASN H 1 67 ARG H 2.800 . 2.800 2.906 2.869 2.963 0.163 24 0 "[ . 1 . 2 ]" 1
808 1 66 ASN HB2 1 67 ARG H 3.000 . 3.000 3.373 3.249 3.461 0.461 7 0 "[ . 1 . 2 ]" 1
809 1 66 ASN HB3 1 67 ARG H 3.500 . 3.500 2.642 2.547 2.752 . 0 0 "[ . 1 . 2 ]" 1
810 1 66 ASN H 1 68 VAL H 5.000 . 5.000 3.939 3.876 4.001 . 0 0 "[ . 1 . 2 ]" 1
811 1 66 ASN HA 1 69 LYS H 4.000 . 4.000 3.482 3.248 3.771 . 0 0 "[ . 1 . 2 ]" 1
812 1 66 ASN HA 1 69 LYS HB3 5.000 . 5.000 3.019 2.800 3.374 . 0 0 "[ . 1 . 2 ]" 1
813 1 66 ASN HA 1 69 LYS HB2 5.000 . 5.000 3.435 2.925 3.967 . 0 0 "[ . 1 . 2 ]" 1
814 1 66 ASN HA 1 69 LYS QG 5.000 . 5.000 4.577 4.495 4.689 . 0 0 "[ . 1 . 2 ]" 1
815 1 66 ASN HA 1 70 ASP H 5.000 . 5.000 4.108 3.974 4.253 . 0 0 "[ . 1 . 2 ]" 1
816 1 66 ASN H 1 81 PHE QE 5.000 . 5.000 3.022 2.601 3.338 . 0 0 "[ . 1 . 2 ]" 1
817 1 66 ASN HA 1 81 PHE QE 5.000 . 5.000 2.433 2.000 3.100 . 0 0 "[ . 1 . 2 ]" 1
818 1 66 ASN HB3 1 81 PHE QE 5.000 . 5.000 4.367 4.250 4.513 . 0 0 "[ . 1 . 2 ]" 1
819 1 66 ASN HB2 1 81 PHE QE 5.000 . 5.000 3.052 2.776 3.260 . 0 0 "[ . 1 . 2 ]" 1
820 1 66 ASN QB 1 81 PHE QD 5.000 . 5.000 4.353 4.174 4.513 . 0 0 "[ . 1 . 2 ]" 1
821 1 67 ARG H 1 67 ARG HA 2.800 . 2.800 2.847 2.825 2.871 0.071 7 0 "[ . 1 . 2 ]" 1
822 1 67 ARG H 1 67 ARG HB3 2.500 . 2.500 2.080 1.987 2.166 . 0 0 "[ . 1 . 2 ]" 1
823 1 67 ARG H 1 67 ARG HB2 2.800 . 2.800 2.659 2.576 2.811 0.011 7 0 "[ . 1 . 2 ]" 1
824 1 67 ARG H 1 67 ARG HG3 4.000 . 4.000 4.310 4.284 4.326 0.326 11 0 "[ . 1 . 2 ]" 1
825 1 67 ARG H 1 67 ARG HG2 4.000 . 4.000 4.154 4.113 4.178 0.178 1 0 "[ . 1 . 2 ]" 1
826 1 67 ARG H 1 68 VAL H 2.800 . 2.800 2.603 2.543 2.684 . 0 0 "[ . 1 . 2 ]" 1
827 1 67 ARG H 1 68 VAL MG2 5.500 . 5.500 3.622 3.507 3.675 . 0 0 "[ . 1 . 2 ]" 1
828 1 67 ARG HA 1 68 VAL H 5.000 . 5.000 3.591 3.558 3.612 . 0 0 "[ . 1 . 2 ]" 1
829 1 67 ARG HA 1 69 LYS H 5.000 . 5.000 4.417 4.149 4.563 . 0 0 "[ . 1 . 2 ]" 1
830 1 67 ARG H 1 69 LYS H 5.000 . 5.000 4.354 4.176 4.546 . 0 0 "[ . 1 . 2 ]" 1
831 1 67 ARG HA 1 70 ASP H 5.000 . 5.000 2.890 2.766 3.014 . 0 0 "[ . 1 . 2 ]" 1
832 1 67 ARG HA 1 70 ASP HB3 5.000 . 5.000 3.609 3.475 3.733 . 0 0 "[ . 1 . 2 ]" 1
833 1 67 ARG HA 1 70 ASP HB2 5.000 . 5.000 2.040 1.957 2.135 . 0 0 "[ . 1 . 2 ]" 1
834 1 67 ARG HA 1 71 ASP H 5.000 . 5.000 3.363 3.283 3.443 . 0 0 "[ . 1 . 2 ]" 1
835 1 67 ARG HB3 1 71 ASP H 5.000 . 5.000 5.290 5.245 5.351 0.351 24 0 "[ . 1 . 2 ]" 1
836 1 67 ARG HB2 1 71 ASP H 5.000 . 5.000 5.238 5.179 5.282 0.282 2 0 "[ . 1 . 2 ]" 1
837 1 67 ARG HG3 1 71 ASP H 5.000 . 5.000 3.620 3.368 3.800 . 0 0 "[ . 1 . 2 ]" 1
838 1 67 ARG HG2 1 71 ASP H 5.000 . 5.000 4.717 4.527 4.990 . 0 0 "[ . 1 . 2 ]" 1
839 1 68 VAL H 1 68 VAL HB 2.500 . 2.500 2.719 2.694 2.743 0.243 13 0 "[ . 1 . 2 ]" 1
840 1 68 VAL H 1 68 VAL MG2 3.000 . 3.000 1.910 1.803 2.031 . 0 0 "[ . 1 . 2 ]" 1
841 1 68 VAL HA 1 68 VAL MG1 3.000 . 3.000 2.103 2.070 2.138 . 0 0 "[ . 1 . 2 ]" 1
842 1 68 VAL HA 1 68 VAL MG2 3.000 . 3.000 2.581 2.559 2.595 . 0 0 "[ . 1 . 2 ]" 1
843 1 68 VAL H 1 69 LYS H 2.800 . 2.800 2.455 2.221 2.613 . 0 0 "[ . 1 . 2 ]" 1
844 1 68 VAL HB 1 69 LYS H 2.500 . 2.500 2.548 2.476 2.617 0.117 15 0 "[ . 1 . 2 ]" 1
845 1 68 VAL MG1 1 69 LYS H 5.000 . 5.000 3.964 3.870 4.037 . 0 0 "[ . 1 . 2 ]" 1
846 1 68 VAL MG2 1 69 LYS H 5.000 . 5.000 3.380 3.259 3.470 . 0 0 "[ . 1 . 2 ]" 1
847 1 68 VAL H 1 70 ASP H 5.000 . 5.000 3.886 3.759 4.058 . 0 0 "[ . 1 . 2 ]" 1
848 1 68 VAL HA 1 71 ASP H 5.000 . 5.000 3.561 3.494 3.657 . 0 0 "[ . 1 . 2 ]" 1
849 1 68 VAL HA 1 71 ASP HB3 5.000 . 5.000 3.366 3.205 3.528 . 0 0 "[ . 1 . 2 ]" 1
850 1 68 VAL HA 1 71 ASP HB2 5.000 . 5.000 4.278 4.138 4.525 . 0 0 "[ . 1 . 2 ]" 1
851 1 68 VAL MG1 1 71 ASP H 5.500 2.300 5.500 4.678 4.650 4.707 . 0 0 "[ . 1 . 2 ]" 1
852 1 68 VAL MG1 1 72 LEU QD 4.500 . 4.500 2.056 1.954 2.206 . 0 0 "[ . 1 . 2 ]" 1
853 1 68 VAL HA 1 72 LEU H 5.000 . 5.000 4.066 3.938 4.260 . 0 0 "[ . 1 . 2 ]" 1
854 1 69 LYS H 1 69 LYS HA 2.800 . 2.800 2.676 2.630 2.737 . 0 0 "[ . 1 . 2 ]" 1
855 1 69 LYS H 1 69 LYS HB3 3.000 . 3.000 2.456 2.172 2.634 . 0 0 "[ . 1 . 2 ]" 1
856 1 69 LYS H 1 69 LYS HB2 3.000 . 3.000 2.330 2.042 2.578 . 0 0 "[ . 1 . 2 ]" 1
857 1 69 LYS HA 1 69 LYS HB2 3.000 . 3.000 2.538 2.429 2.608 . 0 0 "[ . 1 . 2 ]" 1
858 1 69 LYS H 1 69 LYS QE 5.000 . 5.000 4.663 4.505 4.733 . 0 0 "[ . 1 . 2 ]" 1
859 1 69 LYS H 1 70 ASP H 2.800 . 2.800 2.886 2.845 2.916 0.116 15 0 "[ . 1 . 2 ]" 1
860 1 69 LYS HB3 1 70 ASP H 3.500 . 3.500 2.203 1.989 2.556 . 0 0 "[ . 1 . 2 ]" 1
861 1 69 LYS HB2 1 70 ASP H 5.000 . 5.000 3.714 3.459 4.022 . 0 0 "[ . 1 . 2 ]" 1
862 1 69 LYS QG 1 70 ASP H 3.500 . 3.500 3.241 3.169 3.404 . 0 0 "[ . 1 . 2 ]" 1
863 1 69 LYS H 1 71 ASP H 5.000 . 5.000 4.385 4.116 4.485 . 0 0 "[ . 1 . 2 ]" 1
864 1 69 LYS HA 1 71 ASP H 5.000 . 5.000 4.782 4.488 4.934 . 0 0 "[ . 1 . 2 ]" 1
865 1 69 LYS HA 1 72 LEU H 4.000 . 4.000 3.493 3.028 3.712 . 0 0 "[ . 1 . 2 ]" 1
866 1 69 LYS HA 1 72 LEU QB 5.000 . 5.000 2.783 2.329 3.103 . 0 0 "[ . 1 . 2 ]" 1
867 1 69 LYS HA 1 72 LEU QD 5.500 . 5.500 3.819 3.206 4.103 . 0 0 "[ . 1 . 2 ]" 1
868 1 69 LYS HA 1 73 GLN H 5.000 . 5.000 3.672 3.400 3.883 . 0 0 "[ . 1 . 2 ]" 1
869 1 69 LYS QB 1 73 GLN H 5.000 . 5.000 4.802 4.725 4.837 . 0 0 "[ . 1 . 2 ]" 1
870 1 69 LYS QG 1 77 VAL QG 5.500 . 5.500 3.257 2.584 3.767 . 0 0 "[ . 1 . 2 ]" 1
871 1 69 LYS QD 1 77 VAL QG 5.500 . 5.500 3.586 2.636 3.822 . 0 0 "[ . 1 . 2 ]" 1
872 1 69 LYS QE 1 77 VAL MG1 5.500 . 5.500 4.005 3.448 4.194 . 0 0 "[ . 1 . 2 ]" 1
873 1 69 LYS QE 1 77 VAL MG2 5.500 . 5.500 4.159 3.844 4.260 . 0 0 "[ . 1 . 2 ]" 1
874 1 69 LYS QD 1 78 VAL H 5.000 . 5.000 3.702 2.032 4.156 . 0 0 "[ . 1 . 2 ]" 1
875 1 69 LYS QG 1 78 VAL QG 4.000 . 4.000 2.156 1.934 2.771 . 0 0 "[ . 1 . 2 ]" 1
876 1 69 LYS QD 1 78 VAL QG 4.000 . 4.000 2.718 1.974 2.894 . 0 0 "[ . 1 . 2 ]" 1
877 1 69 LYS QE 1 78 VAL QG 5.500 . 5.500 1.780 1.694 2.088 0.106 2 0 "[ . 1 . 2 ]" 1
878 1 69 LYS QE 1 80 SER H 5.000 . 5.000 4.712 4.621 4.858 . 0 0 "[ . 1 . 2 ]" 1
879 1 69 LYS QD 1 81 PHE QE 5.000 . 5.000 4.043 3.656 4.119 . 0 0 "[ . 1 . 2 ]" 1
880 1 69 LYS QE 1 81 PHE QE 5.000 . 5.000 3.175 1.937 3.977 . 0 0 "[ . 1 . 2 ]" 1
881 1 69 LYS HA 1 94 LEU QD 5.500 . 5.500 3.166 2.570 3.588 . 0 0 "[ . 1 . 2 ]" 1
882 1 70 ASP H 1 70 ASP HB3 3.000 . 3.000 3.287 3.257 3.332 0.332 24 0 "[ . 1 . 2 ]" 1
883 1 70 ASP H 1 70 ASP HB2 2.500 . 2.500 2.059 2.002 2.191 . 0 0 "[ . 1 . 2 ]" 1
884 1 70 ASP HA 1 70 ASP HB3 2.500 . 2.500 2.591 2.541 2.638 0.138 4 0 "[ . 1 . 2 ]" 1
885 1 70 ASP H 1 70 ASP HA 2.800 . 2.800 2.736 2.668 2.772 . 0 0 "[ . 1 . 2 ]" 1
886 1 70 ASP H 1 71 ASP H 2.800 . 2.800 2.658 2.599 2.805 0.005 2 0 "[ . 1 . 2 ]" 1
887 1 70 ASP H 1 71 ASP QB 5.000 . 5.000 4.531 4.504 4.593 . 0 0 "[ . 1 . 2 ]" 1
888 1 70 ASP HB3 1 71 ASP H 3.500 . 3.500 3.346 3.183 3.514 0.014 2 0 "[ . 1 . 2 ]" 1
889 1 70 ASP HB2 1 71 ASP H 3.500 . 3.500 2.836 2.567 3.041 . 0 0 "[ . 1 . 2 ]" 1
890 1 70 ASP H 1 72 LEU H 5.000 . 5.000 4.045 3.833 4.333 . 0 0 "[ . 1 . 2 ]" 1
891 1 70 ASP HA 1 72 LEU H 5.000 . 5.000 4.431 4.188 4.774 . 0 0 "[ . 1 . 2 ]" 1
892 1 70 ASP HA 1 73 GLN H 5.000 . 5.000 3.583 3.393 3.896 . 0 0 "[ . 1 . 2 ]" 1
893 1 70 ASP HA 1 73 GLN HB3 5.000 . 5.000 3.804 3.521 4.141 . 0 0 "[ . 1 . 2 ]" 1
894 1 70 ASP HA 1 73 GLN HB2 5.000 . 5.000 2.430 2.184 2.799 . 0 0 "[ . 1 . 2 ]" 1
895 1 70 ASP HA 1 73 GLN HE21 5.000 . 5.000 3.676 2.943 4.407 . 0 0 "[ . 1 . 2 ]" 1
896 1 70 ASP HA 1 73 GLN HE22 5.000 . 5.000 3.463 2.977 3.966 . 0 0 "[ . 1 . 2 ]" 1
897 1 71 ASP HA 1 71 ASP HB2 2.500 . 2.500 2.534 2.516 2.547 0.047 13 0 "[ . 1 . 2 ]" 1
898 1 71 ASP H 1 71 ASP HB3 3.000 . 3.000 2.660 2.557 2.759 . 0 0 "[ . 1 . 2 ]" 1
899 1 71 ASP H 1 71 ASP HB2 3.000 . 3.000 2.434 2.374 2.504 . 0 0 "[ . 1 . 2 ]" 1
900 1 71 ASP H 1 72 LEU H 2.800 . 2.800 2.879 2.828 2.944 0.144 9 0 "[ . 1 . 2 ]" 1
901 1 71 ASP HB3 1 72 LEU H 3.500 . 3.500 3.138 2.728 3.373 . 0 0 "[ . 1 . 2 ]" 1
902 1 71 ASP HB2 1 72 LEU H 5.000 . 5.000 4.230 4.006 4.357 . 0 0 "[ . 1 . 2 ]" 1
903 1 71 ASP H 1 73 GLN H 5.000 . 5.000 4.344 4.278 4.482 . 0 0 "[ . 1 . 2 ]" 1
904 1 71 ASP HA 1 73 GLN H 5.000 . 5.000 4.376 4.255 4.573 . 0 0 "[ . 1 . 2 ]" 1
905 1 71 ASP HA 1 74 GLU H 5.000 . 5.000 5.162 5.087 5.250 0.250 22 0 "[ . 1 . 2 ]" 1
906 1 72 LEU H 1 72 LEU HB2 2.500 . 2.500 2.022 1.865 2.199 . 0 0 "[ . 1 . 2 ]" 1
907 1 72 LEU H 1 72 LEU HB3 3.000 . 3.000 3.093 3.031 3.131 0.131 12 0 "[ . 1 . 2 ]" 1
908 1 72 LEU H 1 72 LEU QD 4.000 . 4.000 3.116 3.033 3.178 . 0 0 "[ . 1 . 2 ]" 1
909 1 72 LEU HA 1 72 LEU QD 3.000 . 3.000 2.141 1.943 2.299 . 0 0 "[ . 1 . 2 ]" 1
910 1 72 LEU H 1 73 GLN H 2.800 . 2.800 2.478 2.348 2.668 . 0 0 "[ . 1 . 2 ]" 1
911 1 72 LEU HB3 1 73 GLN H 2.800 . 2.800 2.883 2.805 2.972 0.172 10 0 "[ . 1 . 2 ]" 1
912 1 72 LEU H 1 73 GLN HB3 5.000 . 5.000 5.124 5.070 5.172 0.172 10 0 "[ . 1 . 2 ]" 1
913 1 72 LEU H 1 73 GLN HB2 5.000 . 5.000 3.903 3.757 4.077 . 0 0 "[ . 1 . 2 ]" 1
914 1 72 LEU HA 1 74 GLU H 5.000 . 5.000 3.755 3.442 4.080 . 0 0 "[ . 1 . 2 ]" 1
915 1 72 LEU QD 1 75 LEU H 5.500 . 5.500 3.217 2.991 3.526 . 0 0 "[ . 1 . 2 ]" 1
916 1 72 LEU QD 1 76 ALA H 5.500 . 5.500 2.350 2.100 2.747 . 0 0 "[ . 1 . 2 ]" 1
917 1 72 LEU QD 1 76 ALA MB 5.500 . 5.500 1.961 1.812 2.207 . 0 0 "[ . 1 . 2 ]" 1
918 1 72 LEU QD 1 94 LEU MD1 5.000 . 5.000 2.520 1.838 3.146 . 0 0 "[ . 1 . 2 ]" 1
919 1 72 LEU QD 1 94 LEU MD2 5.000 . 5.000 2.543 1.896 3.157 . 0 0 "[ . 1 . 2 ]" 1
920 1 72 LEU HB3 1 94 LEU MD1 5.500 . 5.500 3.584 2.910 4.186 . 0 0 "[ . 1 . 2 ]" 1
921 1 72 LEU HB3 1 94 LEU MD2 5.500 . 5.500 3.914 3.412 4.404 . 0 0 "[ . 1 . 2 ]" 1
922 1 73 GLN H 1 73 GLN HA 2.800 . 2.800 2.336 2.289 2.370 . 0 0 "[ . 1 . 2 ]" 1
923 1 73 GLN H 1 73 GLN HB3 3.000 . 3.000 3.008 2.951 3.047 0.047 13 0 "[ . 1 . 2 ]" 1
924 1 73 GLN H 1 73 GLN HB2 2.500 . 2.500 1.877 1.842 1.909 . 0 0 "[ . 1 . 2 ]" 1
925 1 73 GLN HA 1 73 GLN HB2 2.500 . 2.500 2.582 2.560 2.612 0.112 9 0 "[ . 1 . 2 ]" 1
926 1 73 GLN H 1 73 GLN QG 3.500 . 3.500 3.242 3.220 3.265 . 0 0 "[ . 1 . 2 ]" 1
927 1 73 GLN H 1 74 GLU H 2.800 . 2.800 3.081 3.050 3.107 0.307 14 0 "[ . 1 . 2 ]" 1
928 1 73 GLN H 1 76 ALA H 5.000 . 5.000 4.544 4.364 4.702 . 0 0 "[ . 1 . 2 ]" 1
929 1 73 GLN HA 1 77 VAL MG1 5.500 . 5.500 2.578 2.314 2.992 . 0 0 "[ . 1 . 2 ]" 1
930 1 74 GLU H 1 74 GLU HB2 3.000 . 3.000 2.939 2.837 3.005 0.005 22 0 "[ . 1 . 2 ]" 1
931 1 74 GLU HA 1 74 GLU HB3 3.000 . 3.000 2.376 2.353 2.412 . 0 0 "[ . 1 . 2 ]" 1
932 1 74 GLU HA 1 74 GLU HG3 3.500 2.300 3.500 3.524 3.502 3.542 0.042 4 0 "[ . 1 . 2 ]" 1
933 1 74 GLU HA 1 74 GLU HG2 3.500 2.300 3.500 2.922 2.870 2.976 . 0 0 "[ . 1 . 2 ]" 1
934 1 74 GLU H 1 74 GLU QG 3.000 . 3.000 1.713 1.660 1.758 0.140 22 0 "[ . 1 . 2 ]" 1
935 1 74 GLU H 1 75 LEU H 2.500 . 2.500 2.627 2.584 2.664 0.164 10 0 "[ . 1 . 2 ]" 1
936 1 74 GLU HB3 1 75 LEU H 3.500 . 3.500 3.598 3.563 3.628 0.128 24 0 "[ . 1 . 2 ]" 1
937 1 74 GLU HB2 1 75 LEU H 3.500 . 3.500 2.196 2.114 2.270 . 0 0 "[ . 1 . 2 ]" 1
938 1 74 GLU H 1 75 LEU QB 5.000 . 5.000 4.282 3.972 4.470 . 0 0 "[ . 1 . 2 ]" 1
939 1 74 GLU HA 1 76 ALA H 5.000 . 5.000 5.160 5.104 5.226 0.226 10 0 "[ . 1 . 2 ]" 1
940 1 74 GLU H 1 76 ALA H 5.000 . 5.000 3.885 3.778 4.014 . 0 0 "[ . 1 . 2 ]" 1
941 1 74 GLU QB 1 76 ALA H 5.000 . 5.000 4.051 3.867 4.201 . 0 0 "[ . 1 . 2 ]" 1
942 1 74 GLU QG 1 76 ALA H 5.000 . 5.000 4.549 4.535 4.576 . 0 0 "[ . 1 . 2 ]" 1
943 1 75 LEU H 1 75 LEU HA 2.800 . 2.800 2.887 2.872 2.911 0.111 20 0 "[ . 1 . 2 ]" 1
944 1 75 LEU H 1 75 LEU QB 2.500 . 2.500 2.173 2.004 2.272 . 0 0 "[ . 1 . 2 ]" 1
945 1 75 LEU H 1 76 ALA H 2.800 . 2.800 2.032 1.902 2.165 . 0 0 "[ . 1 . 2 ]" 1
946 1 75 LEU H 1 76 ALA MB 5.000 . 5.000 4.198 4.057 4.238 . 0 0 "[ . 1 . 2 ]" 1
947 1 75 LEU QB 1 76 ALA H 2.500 . 2.500 2.261 2.133 2.322 . 0 0 "[ . 1 . 2 ]" 1
948 1 75 LEU H 1 97 LYS QE 5.000 . 5.000 4.243 3.989 4.479 . 0 0 "[ . 1 . 2 ]" 1
949 1 76 ALA HA 1 77 VAL H 2.500 . 2.500 2.421 2.226 2.530 0.030 22 0 "[ . 1 . 2 ]" 1
950 1 76 ALA MB 1 77 VAL H 3.500 . 3.500 2.952 2.904 3.013 . 0 0 "[ . 1 . 2 ]" 1
951 1 76 ALA HA 1 94 LEU MD1 5.500 . 5.500 4.254 3.386 4.774 . 0 0 "[ . 1 . 2 ]" 1
952 1 76 ALA HA 1 94 LEU MD2 5.500 . 5.500 4.688 3.811 4.986 . 0 0 "[ . 1 . 2 ]" 1
953 1 76 ALA MB 1 94 LEU MD1 4.500 . 4.500 2.066 1.666 2.422 0.134 3 0 "[ . 1 . 2 ]" 1
954 1 76 ALA MB 1 94 LEU MD2 4.500 . 4.500 2.424 1.821 2.655 . 0 0 "[ . 1 . 2 ]" 1
955 1 76 ALA MB 1 94 LEU HA 5.000 . 5.000 4.388 4.287 4.602 . 0 0 "[ . 1 . 2 ]" 1
956 1 76 ALA HA 1 96 PRO HA 3.500 . 3.500 2.906 2.441 3.502 0.002 3 0 "[ . 1 . 2 ]" 1
957 1 76 ALA MB 1 96 PRO HA 5.500 . 5.500 3.753 3.369 4.062 . 0 0 "[ . 1 . 2 ]" 1
958 1 76 ALA HA 1 97 LYS H 2.500 . 2.500 2.586 2.532 2.661 0.161 22 0 "[ . 1 . 2 ]" 1
959 1 76 ALA H 1 97 LYS QE 5.000 . 5.000 4.472 4.270 4.537 . 0 0 "[ . 1 . 2 ]" 1
960 1 76 ALA H 1 97 LYS H 5.000 . 5.000 4.999 4.827 5.109 0.109 24 0 "[ . 1 . 2 ]" 1
961 1 77 VAL H 1 77 VAL MG1 3.000 . 3.000 2.714 2.642 2.753 . 0 0 "[ . 1 . 2 ]" 1
962 1 77 VAL H 1 77 VAL MG2 3.000 . 3.000 2.366 2.084 2.530 . 0 0 "[ . 1 . 2 ]" 1
963 1 77 VAL HA 1 77 VAL MG1 3.000 . 3.000 2.510 2.453 2.554 . 0 0 "[ . 1 . 2 ]" 1
964 1 77 VAL HA 1 77 VAL HB 2.500 . 2.500 2.591 2.550 2.655 0.155 20 0 "[ . 1 . 2 ]" 1
965 1 77 VAL HA 1 78 VAL H 2.500 . 2.500 2.412 2.239 2.683 0.183 24 0 "[ . 1 . 2 ]" 1
966 1 77 VAL HB 1 78 VAL H 2.500 . 2.500 1.811 1.639 1.967 0.161 10 0 "[ . 1 . 2 ]" 1
967 1 77 VAL HA 1 94 LEU QD 5.500 . 5.500 2.839 2.388 3.334 . 0 0 "[ . 1 . 2 ]" 1
968 1 77 VAL H 1 95 ALA H 5.000 . 5.000 4.588 3.943 5.039 0.039 16 0 "[ . 1 . 2 ]" 1
969 1 77 VAL MG2 1 95 ALA MB 4.500 . 4.500 3.272 3.185 3.347 . 0 0 "[ . 1 . 2 ]" 1
970 1 77 VAL H 1 95 ALA MB 5.000 . 5.000 4.196 4.057 4.348 . 0 0 "[ . 1 . 2 ]" 1
971 1 77 VAL H 1 96 PRO HA 5.000 . 5.000 3.600 2.869 3.955 . 0 0 "[ . 1 . 2 ]" 1
972 1 77 VAL H 1 97 LYS H 5.000 . 5.000 2.798 2.450 3.170 . 0 0 "[ . 1 . 2 ]" 1
973 1 77 VAL MG1 1 97 LYS HA 5.500 . 5.500 3.464 3.093 3.927 . 0 0 "[ . 1 . 2 ]" 1
974 1 77 VAL MG2 1 97 LYS HA 4.000 . 4.000 2.229 1.924 2.848 . 0 0 "[ . 1 . 2 ]" 1
975 1 77 VAL MG1 1 97 LYS H 5.500 . 5.500 4.286 3.797 4.619 . 0 0 "[ . 1 . 2 ]" 1
976 1 77 VAL MG2 1 97 LYS H 5.500 . 5.500 3.979 3.532 4.585 . 0 0 "[ . 1 . 2 ]" 1
977 1 77 VAL MG1 1 98 LYS H 5.500 . 5.500 4.624 4.531 4.663 . 0 0 "[ . 1 . 2 ]" 1
978 1 77 VAL MG2 1 98 LYS H 5.500 . 5.500 3.426 2.534 3.950 . 0 0 "[ . 1 . 2 ]" 1
979 1 78 VAL HA 1 78 VAL MG1 3.000 . 3.000 2.352 2.044 2.536 . 0 0 "[ . 1 . 2 ]" 1
980 1 78 VAL H 1 78 VAL MG2 3.000 . 3.000 1.738 1.531 2.023 0.269 3 0 "[ . 1 . 2 ]" 1
981 1 78 VAL H 1 78 VAL HB 2.500 . 2.500 2.469 2.027 2.833 0.333 24 0 "[ . 1 . 2 ]" 1
982 1 78 VAL HA 1 79 GLU H 2.500 . 2.500 2.261 2.032 2.414 . 0 0 "[ . 1 . 2 ]" 1
983 1 78 VAL HB 1 79 GLU H 3.500 . 3.500 3.463 2.878 3.664 0.164 21 0 "[ . 1 . 2 ]" 1
984 1 78 VAL MG1 1 79 GLU H 4.000 . 4.000 2.193 2.009 2.329 . 0 0 "[ . 1 . 2 ]" 1
985 1 78 VAL MG2 1 79 GLU H 5.000 . 5.000 4.121 3.943 4.181 . 0 0 "[ . 1 . 2 ]" 1
986 1 78 VAL QG 1 80 SER H 5.000 . 5.000 1.810 1.587 2.029 0.213 5 0 "[ . 1 . 2 ]" 1
987 1 78 VAL HA 1 80 SER H 5.000 . 5.000 3.870 3.514 4.063 . 0 0 "[ . 1 . 2 ]" 1
988 1 78 VAL MG1 1 81 PHE QD 4.000 . 4.000 2.766 2.067 3.040 . 0 0 "[ . 1 . 2 ]" 1
989 1 78 VAL MG2 1 81 PHE QD 5.500 . 5.500 3.155 2.307 3.706 . 0 0 "[ . 1 . 2 ]" 1
990 1 78 VAL MG1 1 81 PHE QE 5.000 . 5.000 3.295 2.048 3.771 . 0 0 "[ . 1 . 2 ]" 1
991 1 78 VAL MG2 1 81 PHE QE 5.000 . 5.000 3.179 1.886 3.761 . 0 0 "[ . 1 . 2 ]" 1
992 1 78 VAL MG1 1 81 PHE H 5.500 . 5.500 4.152 3.659 4.620 . 0 0 "[ . 1 . 2 ]" 1
993 1 78 VAL MG1 1 92 MET ME 5.500 . 5.500 2.466 2.044 3.114 . 0 0 "[ . 1 . 2 ]" 1
994 1 78 VAL MG2 1 92 MET ME 5.500 . 5.500 2.379 1.823 3.879 . 0 0 "[ . 1 . 2 ]" 1
995 1 78 VAL HA 1 94 LEU HA 2.500 . 2.500 1.975 1.786 2.497 0.014 8 0 "[ . 1 . 2 ]" 1
996 1 78 VAL QG 1 94 LEU HA 5.500 . 5.500 2.826 2.248 3.290 . 0 0 "[ . 1 . 2 ]" 1
997 1 78 VAL HA 1 95 ALA H 5.000 . 5.000 2.763 2.034 3.144 . 0 0 "[ . 1 . 2 ]" 1
998 1 79 GLU HA 1 79 GLU QB 2.500 . 2.500 2.358 2.345 2.385 . 0 0 "[ . 1 . 2 ]" 1
999 1 79 GLU H 1 79 GLU QB 2.500 . 2.500 2.120 2.028 2.255 . 0 0 "[ . 1 . 2 ]" 1
1000 1 79 GLU HA 1 80 SER H 3.500 . 3.500 3.552 3.515 3.580 0.080 3 0 "[ . 1 . 2 ]" 1
1001 1 79 GLU QB 1 80 SER H 2.500 . 2.500 2.357 2.335 2.408 . 0 0 "[ . 1 . 2 ]" 1
1002 1 79 GLU HG3 1 80 SER H 5.000 . 5.000 4.812 4.039 5.008 0.008 2 0 "[ . 1 . 2 ]" 1
1003 1 79 GLU HG2 1 80 SER H 5.000 . 5.000 4.136 3.947 4.812 . 0 0 "[ . 1 . 2 ]" 1
1004 1 79 GLU H 1 80 SER H 2.800 . 2.800 2.135 1.911 2.247 . 0 0 "[ . 1 . 2 ]" 1
1005 1 79 GLU H 1 93 VAL H 5.000 . 5.000 4.103 3.756 4.497 . 0 0 "[ . 1 . 2 ]" 1
1006 1 79 GLU QB 1 93 VAL HB 5.000 . 5.000 2.073 1.920 2.287 . 0 0 "[ . 1 . 2 ]" 1
1007 1 79 GLU H 1 93 VAL HB 5.000 . 5.000 3.172 2.698 3.459 . 0 0 "[ . 1 . 2 ]" 1
1008 1 79 GLU H 1 93 VAL QG 5.500 . 5.500 3.667 3.452 3.989 . 0 0 "[ . 1 . 2 ]" 1
1009 1 79 GLU H 1 94 LEU HA 3.500 . 3.500 3.192 2.628 3.520 0.020 2 0 "[ . 1 . 2 ]" 1
1010 1 79 GLU H 1 95 ALA H 5.000 . 5.000 3.484 2.886 4.121 . 0 0 "[ . 1 . 2 ]" 1
1011 1 79 GLU QB 1 95 ALA MB 5.500 . 5.500 2.865 2.226 3.445 . 0 0 "[ . 1 . 2 ]" 1
1012 1 79 GLU QG 1 95 ALA MB 5.500 . 5.500 3.926 3.528 4.115 . 0 0 "[ . 1 . 2 ]" 1
1013 1 80 SER H 1 80 SER HB3 3.000 . 3.000 3.056 2.842 3.142 0.142 2 0 "[ . 1 . 2 ]" 1
1014 1 80 SER H 1 80 SER HB2 3.000 . 3.000 3.046 2.944 3.106 0.106 17 0 "[ . 1 . 2 ]" 1
1015 1 80 SER HA 1 80 SER QB 2.500 . 2.500 2.443 2.363 2.469 . 0 0 "[ . 1 . 2 ]" 1
1016 1 80 SER HA 1 81 PHE H 2.500 . 2.500 2.320 2.138 2.627 0.127 20 0 "[ . 1 . 2 ]" 1
1017 1 80 SER QB 1 81 PHE H 3.500 . 3.500 3.260 3.135 3.340 . 0 0 "[ . 1 . 2 ]" 1
1018 1 80 SER H 1 92 MET HA 5.000 . 5.000 5.107 5.043 5.150 0.150 22 0 "[ . 1 . 2 ]" 1
1019 1 80 SER QB 1 92 MET HA 5.000 . 5.000 4.419 3.978 4.537 . 0 0 "[ . 1 . 2 ]" 1
1020 1 80 SER HB3 1 93 VAL HB 5.000 . 5.000 4.621 4.167 5.005 0.005 4 0 "[ . 1 . 2 ]" 1
1021 1 80 SER HB2 1 93 VAL HB 5.000 . 5.000 4.422 4.006 4.915 . 0 0 "[ . 1 . 2 ]" 1
1022 1 80 SER H 1 93 VAL QG 5.500 . 5.500 4.060 3.882 4.123 . 0 0 "[ . 1 . 2 ]" 1
1023 1 80 SER HB3 1 93 VAL QG 5.500 . 5.500 3.946 3.574 4.099 . 0 0 "[ . 1 . 2 ]" 1
1024 1 80 SER HB2 1 93 VAL QG 5.500 . 5.500 4.109 3.971 4.142 . 0 0 "[ . 1 . 2 ]" 1
1025 1 80 SER HB3 1 93 VAL H 5.000 . 5.000 3.938 3.578 4.118 . 0 0 "[ . 1 . 2 ]" 1
1026 1 80 SER HB2 1 93 VAL H 5.000 . 5.000 4.777 4.391 5.021 0.021 23 0 "[ . 1 . 2 ]" 1
1027 1 80 SER H 1 93 VAL H 5.000 . 5.000 3.619 3.363 3.817 . 0 0 "[ . 1 . 2 ]" 1
1028 1 80 SER H 1 94 LEU HA 5.000 . 5.000 4.976 4.508 5.192 0.192 20 0 "[ . 1 . 2 ]" 1
1029 1 81 PHE H 1 81 PHE HB3 3.000 . 3.000 3.103 3.018 3.242 0.242 2 0 "[ . 1 . 2 ]" 1
1030 1 81 PHE H 1 81 PHE HB2 3.000 . 3.000 2.673 2.253 3.137 0.137 6 0 "[ . 1 . 2 ]" 1
1031 1 81 PHE HA 1 81 PHE HB2 2.500 . 2.500 2.675 2.538 2.808 0.308 24 0 "[ . 1 . 2 ]" 1
1032 1 81 PHE HA 1 81 PHE QD 3.500 . 3.500 2.761 2.294 2.968 . 0 0 "[ . 1 . 2 ]" 1
1033 1 81 PHE HB3 1 81 PHE QD 2.500 . 2.500 2.375 2.340 2.417 . 0 0 "[ . 1 . 2 ]" 1
1034 1 81 PHE HB2 1 81 PHE QD 2.500 . 2.500 2.296 2.241 2.386 . 0 0 "[ . 1 . 2 ]" 1
1035 1 81 PHE HA 1 81 PHE QE 5.000 . 5.000 3.913 3.620 4.057 . 0 0 "[ . 1 . 2 ]" 1
1036 1 81 PHE HB3 1 81 PHE QE 5.000 . 5.000 4.369 4.332 4.410 . 0 0 "[ . 1 . 2 ]" 1
1037 1 81 PHE HB2 1 81 PHE QE 5.000 . 5.000 4.249 4.185 4.336 . 0 0 "[ . 1 . 2 ]" 1
1038 1 81 PHE HA 1 82 PRO HD3 3.000 . 3.000 1.963 1.795 2.333 0.005 9 0 "[ . 1 . 2 ]" 1
1039 1 81 PHE HA 1 82 PRO HD2 3.000 . 3.000 3.110 2.318 3.327 0.327 9 0 "[ . 1 . 2 ]" 1
1040 1 81 PHE QE 1 82 PRO QD 5.000 . 5.000 4.071 3.935 4.212 . 0 0 "[ . 1 . 2 ]" 1
1041 1 81 PHE QD 1 92 MET QG 5.500 . 5.500 4.061 2.800 4.417 . 0 0 "[ . 1 . 2 ]" 1
1042 1 81 PHE QD 1 92 MET ME 5.500 . 5.500 4.072 3.750 4.249 . 0 0 "[ . 1 . 2 ]" 1
1043 1 81 PHE QE 1 92 MET ME 4.000 . 4.000 2.843 2.114 3.097 . 0 0 "[ . 1 . 2 ]" 1
1044 1 81 PHE HA 1 93 VAL H 5.000 . 5.000 5.094 5.007 5.207 0.207 20 0 "[ . 1 . 2 ]" 1
1045 1 82 PRO QD 1 83 THR H 3.000 . 3.000 2.874 2.719 3.030 0.030 22 0 "[ . 1 . 2 ]" 1
1046 1 82 PRO QB 1 83 THR H 3.000 . 3.000 2.110 1.596 2.812 0.204 22 0 "[ . 1 . 2 ]" 1
1047 1 82 PRO QG 1 83 THR H 4.000 . 4.000 2.674 2.030 3.617 . 0 0 "[ . 1 . 2 ]" 1
1048 1 82 PRO HD3 1 92 MET HA 5.000 . 5.000 2.994 2.551 3.305 . 0 0 "[ . 1 . 2 ]" 1
1049 1 82 PRO HD2 1 92 MET HA 5.000 . 5.000 3.593 3.221 3.978 . 0 0 "[ . 1 . 2 ]" 1
1050 1 82 PRO HD3 1 93 VAL H 5.000 . 5.000 3.971 3.519 4.352 . 0 0 "[ . 1 . 2 ]" 1
1051 1 82 PRO HD2 1 93 VAL H 5.000 . 5.000 5.162 5.038 5.359 0.359 16 0 "[ . 1 . 2 ]" 1
1052 1 83 THR H 1 83 THR HB 2.500 . 2.500 2.657 2.092 2.898 0.398 8 0 "[ . 1 . 2 ]" 1
1053 1 83 THR H 1 83 THR MG 3.500 . 3.500 3.167 3.005 3.382 . 0 0 "[ . 1 . 2 ]" 1
1054 1 83 THR HA 1 83 THR MG 3.000 . 3.000 2.399 2.036 2.717 . 0 0 "[ . 1 . 2 ]" 1
1055 1 83 THR MG 1 84 LYS H 5.000 . 5.000 2.811 1.524 4.037 0.276 2 0 "[ . 1 . 2 ]" 1
1056 1 83 THR HB 1 84 LYS H 3.500 . 3.500 2.630 1.676 3.790 0.290 20 0 "[ . 1 . 2 ]" 1
1057 1 83 THR H 1 84 LYS H 3.000 . 3.000 2.467 1.654 3.515 0.515 17 2 "[ . 1 . + 2- ]" 1
1058 1 83 THR H 1 90 MET ME 5.500 . 5.500 4.383 3.276 4.666 . 0 0 "[ . 1 . 2 ]" 1
1059 1 84 LYS HA 1 85 ILE H 2.500 . 2.500 2.305 2.034 2.548 0.048 11 0 "[ . 1 . 2 ]" 1
1060 1 85 ILE HA 1 85 ILE MG 3.000 . 3.000 2.276 2.118 2.414 . 0 0 "[ . 1 . 2 ]" 1
1061 1 85 ILE H 1 85 ILE HB 2.500 . 2.500 2.589 2.542 2.649 0.149 17 0 "[ . 1 . 2 ]" 1
1062 1 85 ILE H 1 85 ILE QG 3.000 . 3.000 1.850 1.555 2.683 0.245 18 0 "[ . 1 . 2 ]" 1
1063 1 85 ILE HA 1 86 GLU H 2.500 . 2.500 2.068 1.903 2.254 . 0 0 "[ . 1 . 2 ]" 1
1064 1 85 ILE HB 1 86 GLU H 3.500 . 3.500 3.688 3.566 3.760 0.260 9 0 "[ . 1 . 2 ]" 1
1065 1 85 ILE MG 1 86 GLU H 4.000 . 4.000 2.320 2.143 2.545 . 0 0 "[ . 1 . 2 ]" 1
1066 1 85 ILE MG 1 88 ARG H 5.500 . 5.500 4.270 3.605 4.454 . 0 0 "[ . 1 . 2 ]" 1
1067 1 85 ILE HB 1 89 GLN H 5.000 . 5.000 4.645 3.946 4.982 . 0 0 "[ . 1 . 2 ]" 1
1068 1 85 ILE MG 1 89 GLN H 5.000 . 5.000 2.108 1.573 2.444 0.227 16 0 "[ . 1 . 2 ]" 1
1069 1 85 ILE MD 1 89 GLN H 5.500 . 5.500 4.600 4.348 4.666 . 0 0 "[ . 1 . 2 ]" 1
1070 1 85 ILE HA 1 90 MET HB3 5.000 . 5.000 4.500 3.949 5.003 0.003 17 0 "[ . 1 . 2 ]" 1
1071 1 85 ILE HA 1 90 MET HB2 5.000 . 5.000 2.981 2.290 3.591 . 0 0 "[ . 1 . 2 ]" 1
1072 1 85 ILE HA 1 90 MET QG 3.500 . 3.500 2.731 2.088 3.128 . 0 0 "[ . 1 . 2 ]" 1
1073 1 85 ILE MG 1 90 MET QG 5.500 . 5.500 3.604 2.584 4.116 . 0 0 "[ . 1 . 2 ]" 1
1074 1 85 ILE MD 1 90 MET QG 5.500 . 5.500 4.113 3.526 4.252 . 0 0 "[ . 1 . 2 ]" 1
1075 1 85 ILE QG 1 90 MET QG 5.000 . 5.000 2.951 2.528 4.023 . 0 0 "[ . 1 . 2 ]" 1
1076 1 85 ILE MD 1 90 MET ME 5.500 . 5.500 2.679 1.967 3.519 . 0 0 "[ . 1 . 2 ]" 1
1077 1 85 ILE QG 1 90 MET ME 5.500 . 5.500 2.633 1.903 3.683 . 0 0 "[ . 1 . 2 ]" 1
1078 1 85 ILE H 1 90 MET QG 5.000 . 5.000 4.050 3.079 4.519 . 0 0 "[ . 1 . 2 ]" 1
1079 1 85 ILE H 1 90 MET QB 5.000 . 5.000 4.471 4.380 4.534 . 0 0 "[ . 1 . 2 ]" 1
1080 1 86 GLU H 1 86 GLU HB2 3.000 . 3.000 2.648 2.468 2.794 . 0 0 "[ . 1 . 2 ]" 1
1081 1 86 GLU HA 1 86 GLU HG3 3.500 . 3.500 3.139 2.287 3.668 0.168 20 0 "[ . 1 . 2 ]" 1
1082 1 86 GLU HA 1 86 GLU HG2 3.500 . 3.500 2.741 2.565 3.586 0.086 17 0 "[ . 1 . 2 ]" 1
1083 1 86 GLU H 1 89 GLN H 5.000 . 5.000 3.598 3.076 5.008 0.008 16 0 "[ . 1 . 2 ]" 1
1084 1 86 GLU H 1 90 MET QG 5.000 . 5.000 4.245 3.450 4.556 . 0 0 "[ . 1 . 2 ]" 1
1085 1 87 GLY HA3 1 88 ARG H 2.800 . 2.800 2.130 1.936 2.393 . 0 0 "[ . 1 . 2 ]" 1
1086 1 87 GLY HA2 1 88 ARG H 2.800 . 2.800 2.927 2.840 3.009 0.209 3 0 "[ . 1 . 2 ]" 1
1087 1 87 GLY HA3 1 89 GLN H 5.000 . 5.000 3.680 3.555 3.790 . 0 0 "[ . 1 . 2 ]" 1
1088 1 87 GLY HA2 1 89 GLN H 5.000 . 5.000 4.560 4.395 4.778 . 0 0 "[ . 1 . 2 ]" 1
1089 1 88 ARG H 1 88 ARG HA 2.800 . 2.800 2.878 2.851 2.898 0.098 3 0 "[ . 1 . 2 ]" 1
1090 1 88 ARG H 1 89 GLN H 3.000 . 3.000 3.063 2.995 3.124 0.124 12 0 "[ . 1 . 2 ]" 1
1091 1 88 ARG HA 1 89 GLN H 2.800 . 2.800 2.806 2.501 2.900 0.100 15 0 "[ . 1 . 2 ]" 1
1092 1 89 GLN HA 1 90 MET H 2.500 . 2.500 2.315 2.187 2.467 . 0 0 "[ . 1 . 2 ]" 1
1093 1 89 GLN HE21 1 91 ILE MD 5.500 . 5.500 4.131 3.443 4.591 . 0 0 "[ . 1 . 2 ]" 1
1094 1 89 GLN HE22 1 91 ILE MD 5.500 . 5.500 4.568 4.227 4.629 . 0 0 "[ . 1 . 2 ]" 1
1095 1 90 MET HA 1 90 MET QG 3.500 2.800 3.500 2.445 2.394 2.485 0.406 18 0 "[ . 1 . 2 ]" 1
1096 1 90 MET HA 1 91 ILE H 2.500 . 2.500 2.293 2.137 2.571 0.071 7 0 "[ . 1 . 2 ]" 1
1097 1 90 MET HG3 1 91 ILE H 3.500 . 3.500 3.478 3.001 3.697 0.197 9 0 "[ . 1 . 2 ]" 1
1098 1 90 MET HG2 1 91 ILE H 3.500 . 3.500 3.224 2.024 3.656 0.156 5 0 "[ . 1 . 2 ]" 1
1099 1 91 ILE H 1 91 ILE HB 2.500 . 2.500 2.371 2.216 2.680 0.180 7 0 "[ . 1 . 2 ]" 1
1100 1 91 ILE H 1 91 ILE MD 4.000 . 4.000 3.545 3.446 3.680 . 0 0 "[ . 1 . 2 ]" 1
1101 1 91 ILE HA 1 91 ILE MG 3.000 . 3.000 2.277 2.138 2.456 . 0 0 "[ . 1 . 2 ]" 1
1102 1 91 ILE HA 1 92 MET H 2.500 . 2.500 2.133 2.067 2.295 . 0 0 "[ . 1 . 2 ]" 1
1103 1 91 ILE HB 1 92 MET H 5.000 . 5.000 4.141 3.415 4.249 . 0 0 "[ . 1 . 2 ]" 1
1104 1 91 ILE QG 1 92 MET H 5.000 . 5.000 4.507 4.382 4.579 . 0 0 "[ . 1 . 2 ]" 1
1105 1 91 ILE MG 1 92 MET H 3.000 . 3.000 2.464 2.051 2.546 . 0 0 "[ . 1 . 2 ]" 1
1106 1 91 ILE MD 1 92 MET H 5.500 . 5.500 3.585 3.352 4.690 . 0 0 "[ . 1 . 2 ]" 1
1107 1 91 ILE MG 1 93 VAL QG 5.500 . 5.500 2.067 1.958 2.774 . 0 0 "[ . 1 . 2 ]" 1
1108 1 91 ILE MD 1 93 VAL HA 5.500 . 5.500 4.765 4.715 4.821 . 0 0 "[ . 1 . 2 ]" 1
1109 1 92 MET H 1 92 MET QB 3.000 . 3.000 2.392 2.239 2.616 . 0 0 "[ . 1 . 2 ]" 1
1110 1 92 MET HA 1 93 VAL H 2.500 . 2.500 2.195 2.093 2.299 . 0 0 "[ . 1 . 2 ]" 1
1111 1 92 MET HG3 1 94 LEU HA 5.000 . 5.000 5.088 4.858 5.255 0.255 5 0 "[ . 1 . 2 ]" 1
1112 1 92 MET HG2 1 94 LEU HA 5.000 . 5.000 4.441 4.012 4.731 . 0 0 "[ . 1 . 2 ]" 1
1113 1 92 MET ME 1 94 LEU MD1 5.500 . 5.500 3.295 2.246 3.883 . 0 0 "[ . 1 . 2 ]" 1
1114 1 92 MET ME 1 94 LEU MD2 5.500 . 5.500 3.137 2.314 3.850 . 0 0 "[ . 1 . 2 ]" 1
1115 1 93 VAL HA 1 93 VAL QG 2.500 . 2.500 1.925 1.891 1.961 . 0 0 "[ . 1 . 2 ]" 1
1116 1 93 VAL H 1 93 VAL HB 2.500 . 2.500 2.592 2.511 2.686 0.186 4 0 "[ . 1 . 2 ]" 1
1117 1 93 VAL H 1 93 VAL QG 3.000 . 3.000 2.161 1.907 2.260 . 0 0 "[ . 1 . 2 ]" 1
1118 1 93 VAL QG 1 94 LEU H 3.000 . 3.000 2.284 2.151 2.376 . 0 0 "[ . 1 . 2 ]" 1
1119 1 93 VAL HA 1 94 LEU H 2.500 . 2.500 2.403 2.181 2.547 0.047 11 0 "[ . 1 . 2 ]" 1
1120 1 94 LEU HA 1 94 LEU QD 3.000 . 3.000 2.032 1.812 2.319 . 0 0 "[ . 1 . 2 ]" 1
1121 1 94 LEU HA 1 95 ALA H 2.500 . 2.500 2.367 2.144 2.518 0.018 5 0 "[ . 1 . 2 ]" 1
1122 1 95 ALA H 1 95 ALA MB 2.500 . 2.500 2.123 2.057 2.219 . 0 0 "[ . 1 . 2 ]" 1
1123 1 95 ALA HA 1 96 PRO HD3 3.500 . 3.500 2.216 2.014 2.405 . 0 0 "[ . 1 . 2 ]" 1
1124 1 95 ALA HA 1 96 PRO HD2 3.500 . 3.500 2.860 2.483 3.136 . 0 0 "[ . 1 . 2 ]" 1
1125 1 95 ALA MB 1 96 PRO HD3 4.000 . 4.000 3.156 2.952 3.351 . 0 0 "[ . 1 . 2 ]" 1
1126 1 95 ALA MB 1 96 PRO HD2 4.000 . 4.000 2.190 2.066 2.359 . 0 0 "[ . 1 . 2 ]" 1
1127 1 96 PRO HA 1 97 LYS H 2.500 . 2.500 2.271 2.140 2.366 . 0 0 "[ . 1 . 2 ]" 1
1128 1 97 LYS H 1 97 LYS QB 2.500 . 2.500 2.251 2.155 2.312 . 0 0 "[ . 1 . 2 ]" 1
1129 1 97 LYS HA 1 98 LYS H 2.500 . 2.500 2.208 2.018 2.455 . 0 0 "[ . 1 . 2 ]" 1
1130 1 98 LYS H 1 98 LYS QB 2.500 . 2.500 2.267 2.231 2.306 . 0 0 "[ . 1 . 2 ]" 1
1131 1 98 LYS HA 1 99 LYS H 2.500 . 2.500 2.223 2.120 2.553 0.053 13 0 "[ . 1 . 2 ]" 1
1132 1 99 LYS HA 1 100 GLN H 2.500 . 2.500 2.221 2.129 2.509 0.009 11 0 "[ . 1 . 2 ]" 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 58
_Distance_constraint_stats_list.Viol_count 488
_Distance_constraint_stats_list.Viol_total 842.215
_Distance_constraint_stats_list.Viol_max 0.298
_Distance_constraint_stats_list.Viol_rms 0.0470
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0252
_Distance_constraint_stats_list.Viol_average_violations_only 0.0719
_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 14 LYS 0.413 0.085 12 0 "[ . 1 . 2 ]"
1 16 ILE 0.771 0.093 15 0 "[ . 1 . 2 ]"
1 18 PHE 2.577 0.132 17 0 "[ . 1 . 2 ]"
1 23 ASP 3.748 0.298 17 0 "[ . 1 . 2 ]"
1 24 GLU 3.418 0.206 20 0 "[ . 1 . 2 ]"
1 27 TYR 3.748 0.298 17 0 "[ . 1 . 2 ]"
1 28 GLN 4.963 0.206 20 0 "[ . 1 . 2 ]"
1 29 VAL 3.611 0.202 5 0 "[ . 1 . 2 ]"
1 30 LYS 1.178 0.077 17 0 "[ . 1 . 2 ]"
1 31 LEU 0.016 0.016 17 0 "[ . 1 . 2 ]"
1 32 ARG 7.299 0.173 3 0 "[ . 1 . 2 ]"
1 33 SER 6.155 0.202 5 0 "[ . 1 . 2 ]"
1 34 LEU 2.238 0.103 9 0 "[ . 1 . 2 ]"
1 35 ILE 0.016 0.016 17 0 "[ . 1 . 2 ]"
1 36 ARG 6.733 0.173 3 0 "[ . 1 . 2 ]"
1 37 PHE 2.544 0.149 9 0 "[ . 1 . 2 ]"
1 38 LEU 1.060 0.103 9 0 "[ . 1 . 2 ]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 GLU 0.979 0.068 23 0 "[ . 1 . 2 ]"
1 43 LYS 0.380 0.085 12 0 "[ . 1 . 2 ]"
1 44 ALA 1.626 0.155 18 0 "[ . 1 . 2 ]"
1 45 LYS 0.701 0.093 15 0 "[ . 1 . 2 ]"
1 46 ILE 0.545 0.063 5 0 "[ . 1 . 2 ]"
1 47 THR 2.680 0.132 17 0 "[ . 1 . 2 ]"
1 48 LEU 2.573 0.188 10 0 "[ . 1 . 2 ]"
1 59 GLN 1.644 0.128 20 0 "[ . 1 . 2 ]"
1 63 GLU 1.644 0.128 20 0 "[ . 1 . 2 ]"
1 64 VAL 1.030 0.071 10 0 "[ . 1 . 2 ]"
1 65 LEU 0.012 0.012 17 0 "[ . 1 . 2 ]"
1 66 ASN 0.046 0.030 11 0 "[ . 1 . 2 ]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 VAL 1.030 0.071 10 0 "[ . 1 . 2 ]"
1 69 LYS 0.012 0.012 17 0 "[ . 1 . 2 ]"
1 70 ASP 0.046 0.030 11 0 "[ . 1 . 2 ]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 MET 2.573 0.188 10 0 "[ . 1 . 2 ]"
1 92 MET 0.545 0.063 5 0 "[ . 1 . 2 ]"
1 94 LEU 1.626 0.155 18 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 LYS H 1 43 LYS O 2.200 . 2.200 2.149 1.874 2.285 0.085 12 0 "[ . 1 . 2 ]" 2
2 1 14 LYS N 1 43 LYS O 3.200 . 3.200 3.053 2.888 3.127 . 0 0 "[ . 1 . 2 ]" 2
3 1 14 LYS O 1 45 LYS H 2.200 . 2.200 1.965 1.767 2.200 0.033 14 0 "[ . 1 . 2 ]" 2
4 1 14 LYS O 1 45 LYS N 3.200 . 3.200 2.855 2.767 2.933 . 0 0 "[ . 1 . 2 ]" 2
5 1 16 ILE H 1 45 LYS O 2.200 . 2.200 2.204 2.025 2.293 0.093 15 0 "[ . 1 . 2 ]" 2
6 1 16 ILE N 1 45 LYS O 3.200 . 3.200 3.125 2.966 3.210 0.010 10 0 "[ . 1 . 2 ]" 2
7 1 16 ILE O 1 47 THR H 2.200 . 2.200 2.149 1.982 2.256 0.056 18 0 "[ . 1 . 2 ]" 2
8 1 16 ILE O 1 47 THR N 3.200 . 3.200 3.053 2.956 3.127 . 0 0 "[ . 1 . 2 ]" 2
9 1 18 PHE H 1 47 THR O 2.200 . 2.200 2.302 2.239 2.332 0.132 17 0 "[ . 1 . 2 ]" 2
10 1 18 PHE N 1 47 THR O 3.200 . 3.200 3.196 3.142 3.219 0.019 16 0 "[ . 1 . 2 ]" 2
11 1 48 LEU H 1 90 MET O 2.200 . 2.200 1.865 1.785 2.039 0.015 16 0 "[ . 1 . 2 ]" 2
12 1 48 LEU N 1 90 MET O 3.200 . 3.200 2.795 2.737 2.941 . 0 0 "[ . 1 . 2 ]" 2
13 1 48 LEU O 1 90 MET H 2.200 . 2.200 2.305 2.230 2.388 0.188 10 0 "[ . 1 . 2 ]" 2
14 1 48 LEU O 1 90 MET N 3.200 . 3.200 3.077 2.932 3.199 . 0 0 "[ . 1 . 2 ]" 2
15 1 46 ILE H 1 92 MET O 2.200 . 2.200 2.209 2.080 2.263 0.063 5 0 "[ . 1 . 2 ]" 2
16 1 46 ILE N 1 92 MET O 3.200 . 3.200 2.906 2.841 2.998 . 0 0 "[ . 1 . 2 ]" 2
17 1 46 ILE O 1 92 MET H 2.200 . 2.200 2.135 1.921 2.219 0.019 4 0 "[ . 1 . 2 ]" 2
18 1 46 ILE O 1 92 MET N 3.200 . 3.200 3.074 2.900 3.138 . 0 0 "[ . 1 . 2 ]" 2
19 1 44 ALA H 1 94 LEU O 2.200 . 2.200 2.171 1.905 2.355 0.155 18 0 "[ . 1 . 2 ]" 2
20 1 44 ALA N 1 94 LEU O 3.200 . 3.200 2.870 2.775 3.015 . 0 0 "[ . 1 . 2 ]" 2
21 1 44 ALA O 1 94 LEU H 2.200 . 2.200 2.192 2.042 2.328 0.128 1 0 "[ . 1 . 2 ]" 2
22 1 44 ALA O 1 94 LEU N 3.200 . 3.200 2.954 2.830 3.054 . 0 0 "[ . 1 . 2 ]" 2
23 1 23 ASP O 1 27 TYR H 2.200 . 2.200 2.322 2.219 2.498 0.298 17 0 "[ . 1 . 2 ]" 2
24 1 23 ASP O 1 27 TYR N 3.200 . 3.200 3.167 2.960 3.372 0.172 17 0 "[ . 1 . 2 ]" 2
25 1 24 GLU O 1 28 GLN H 2.200 . 2.200 2.342 2.281 2.406 0.206 20 0 "[ . 1 . 2 ]" 2
26 1 24 GLU O 1 28 GLN N 3.200 . 3.200 3.036 2.922 3.188 . 0 0 "[ . 1 . 2 ]" 2
27 1 28 GLN O 1 32 ARG H 2.200 . 2.200 2.264 2.238 2.295 0.095 13 0 "[ . 1 . 2 ]" 2
28 1 28 GLN O 1 32 ARG N 3.200 . 3.200 3.063 2.989 3.133 . 0 0 "[ . 1 . 2 ]" 2
29 1 29 VAL O 1 33 SER H 2.200 . 2.200 2.350 2.314 2.402 0.202 5 0 "[ . 1 . 2 ]" 2
30 1 29 VAL O 1 33 SER N 3.200 . 3.200 3.136 3.098 3.195 . 0 0 "[ . 1 . 2 ]" 2
31 1 30 LYS O 1 34 LEU H 2.200 . 2.200 2.242 2.048 2.277 0.077 17 0 "[ . 1 . 2 ]" 2
32 1 30 LYS O 1 34 LEU N 3.200 . 3.200 3.160 2.988 3.216 0.016 15 0 "[ . 1 . 2 ]" 2
33 1 31 LEU O 1 35 ILE H 2.200 . 2.200 2.102 1.997 2.216 0.016 17 0 "[ . 1 . 2 ]" 2
34 1 31 LEU O 1 35 ILE N 3.200 . 3.200 2.958 2.878 3.058 . 0 0 "[ . 1 . 2 ]" 2
35 1 32 ARG O 1 36 ARG H 2.200 . 2.200 2.333 2.297 2.373 0.173 3 0 "[ . 1 . 2 ]" 2
36 1 32 ARG O 1 36 ARG N 3.200 . 3.200 3.307 3.270 3.349 0.149 3 0 "[ . 1 . 2 ]" 2
37 1 33 SER O 1 37 PHE H 2.200 . 2.200 2.297 2.240 2.349 0.149 9 0 "[ . 1 . 2 ]" 2
38 1 33 SER O 1 37 PHE N 3.200 . 3.200 3.201 3.123 3.240 0.040 24 0 "[ . 1 . 2 ]" 2
39 1 34 LEU O 1 38 LEU H 2.200 . 2.200 2.218 2.065 2.303 0.103 9 0 "[ . 1 . 2 ]" 2
40 1 34 LEU O 1 38 LEU N 3.200 . 3.200 3.198 3.022 3.289 0.089 9 0 "[ . 1 . 2 ]" 2
41 1 35 ILE O 1 39 GLU H 2.200 . 2.200 2.031 1.854 2.149 . 0 0 "[ . 1 . 2 ]" 2
42 1 35 ILE O 1 39 GLU N 3.200 . 3.200 2.864 2.803 2.941 . 0 0 "[ . 1 . 2 ]" 2
43 1 36 ARG O 1 40 GLU H 2.200 . 2.200 2.241 2.208 2.268 0.068 23 0 "[ . 1 . 2 ]" 2
44 1 36 ARG O 1 40 GLU N 3.200 . 3.200 3.066 2.957 3.148 . 0 0 "[ . 1 . 2 ]" 2
45 1 59 GLN O 1 63 GLU H 2.200 . 2.200 2.267 2.195 2.328 0.128 20 0 "[ . 1 . 2 ]" 2
46 1 59 GLN O 1 63 GLU N 3.200 . 3.200 3.133 3.017 3.215 0.015 4 0 "[ . 1 . 2 ]" 2
47 1 63 GLU O 1 67 ARG H 2.200 . 2.200 2.045 1.920 2.191 . 0 0 "[ . 1 . 2 ]" 2
48 1 63 GLU O 1 67 ARG N 3.200 . 3.200 2.935 2.783 3.079 . 0 0 "[ . 1 . 2 ]" 2
49 1 64 VAL O 1 68 VAL H 2.200 . 2.200 2.243 2.207 2.271 0.071 10 0 "[ . 1 . 2 ]" 2
50 1 64 VAL O 1 68 VAL N 3.200 . 3.200 2.853 2.807 2.915 . 0 0 "[ . 1 . 2 ]" 2
51 1 65 LEU O 1 69 LYS H 2.200 . 2.200 2.106 1.998 2.212 0.012 17 0 "[ . 1 . 2 ]" 2
52 1 65 LEU O 1 69 LYS N 3.200 . 3.200 3.037 2.942 3.131 . 0 0 "[ . 1 . 2 ]" 2
53 1 66 ASN O 1 70 ASP H 2.200 . 2.200 2.119 2.004 2.230 0.030 11 0 "[ . 1 . 2 ]" 2
54 1 66 ASN O 1 70 ASP N 3.200 2.800 3.200 3.041 2.939 3.165 . 0 0 "[ . 1 . 2 ]" 2
55 1 67 ARG O 1 71 ASP H 2.200 . 2.200 1.912 1.858 2.008 . 0 0 "[ . 1 . 2 ]" 2
56 1 67 ARG O 1 71 ASP N 3.200 . 3.200 2.914 2.866 2.996 . 0 0 "[ . 1 . 2 ]" 2
57 1 68 VAL O 1 72 LEU H 2.200 . 2.200 1.930 1.827 2.029 . 0 0 "[ . 1 . 2 ]" 2
58 1 68 VAL O 1 72 LEU N 3.200 . 3.200 2.814 2.729 2.919 . 0 0 "[ . 1 . 2 ]" 2
stop_
save_
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