NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
388458 |
1n3g   |
5389 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n3g
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 1063
_Distance_constraint_stats_list.Viol_count 1401
_Distance_constraint_stats_list.Viol_total 781.565
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0192
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.011 0.007 20 0 "[ . 1 . 2 . ]"
1 3 MET 0.253 0.051 6 0 "[ . 1 . 2 . ]"
1 4 ASN 0.127 0.018 29 0 "[ . 1 . 2 . ]"
1 5 ILE 0.565 0.217 17 0 "[ . 1 . 2 . ]"
1 6 THR 0.141 0.043 6 0 "[ . 1 . 2 . ]"
1 7 SER 1.202 0.142 9 0 "[ . 1 . 2 . ]"
1 8 LYS 0.203 0.063 9 0 "[ . 1 . 2 . ]"
1 9 GLN 0.629 0.142 9 0 "[ . 1 . 2 . ]"
1 10 MET 0.928 0.165 19 0 "[ . 1 . 2 . ]"
1 11 GLU 0.298 0.127 9 0 "[ . 1 . 2 . ]"
1 12 ILE 0.809 0.063 5 0 "[ . 1 . 2 . ]"
1 13 THR 0.184 0.027 7 0 "[ . 1 . 2 . ]"
1 14 PRO 0.156 0.033 27 0 "[ . 1 . 2 . ]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 16 ILE 0.279 0.029 5 0 "[ . 1 . 2 . ]"
1 17 ARG 0.453 0.063 5 0 "[ . 1 . 2 . ]"
1 18 GLN 0.019 0.010 6 0 "[ . 1 . 2 . ]"
1 19 HIS 1.172 0.098 4 0 "[ . 1 . 2 . ]"
1 20 VAL 0.316 0.067 5 0 "[ . 1 . 2 . ]"
1 21 ALA 0.133 0.023 14 0 "[ . 1 . 2 . ]"
1 22 ASP 0.035 0.035 4 0 "[ . 1 . 2 . ]"
1 23 ARG 0.115 0.067 5 0 "[ . 1 . 2 . ]"
1 24 LEU 0.221 0.051 6 0 "[ . 1 . 2 . ]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 27 LEU 0.312 0.041 10 0 "[ . 1 . 2 . ]"
1 28 GLU 0.009 0.009 22 0 "[ . 1 . 2 . ]"
1 29 LYS 0.394 0.067 15 0 "[ . 1 . 2 . ]"
1 30 TRP 0.653 0.045 7 0 "[ . 1 . 2 . ]"
1 31 GLN 0.871 0.159 4 0 "[ . 1 . 2 . ]"
1 32 THR 1.817 0.159 4 0 "[ . 1 . 2 . ]"
1 33 HIS 0.511 0.142 26 0 "[ . 1 . 2 . ]"
1 34 LEU 1.682 0.085 17 0 "[ . 1 . 2 . ]"
1 35 ILE 1.058 0.085 17 0 "[ . 1 . 2 . ]"
1 36 ASN 0.982 0.217 11 0 "[ . 1 . 2 . ]"
1 37 PRO 0.630 0.076 26 0 "[ . 1 . 2 . ]"
1 38 HIS 0.350 0.076 26 0 "[ . 1 . 2 . ]"
1 39 ILE 0.976 0.217 17 0 "[ . 1 . 2 . ]"
1 40 ILE 0.419 0.043 6 0 "[ . 1 . 2 . ]"
1 41 LEU 1.028 0.042 5 0 "[ . 1 . 2 . ]"
1 42 SER 1.006 0.067 22 0 "[ . 1 . 2 . ]"
1 43 LYS 1.078 0.084 9 0 "[ . 1 . 2 . ]"
1 44 GLU 0.203 0.032 18 0 "[ . 1 . 2 . ]"
1 45 PRO 1.476 0.078 14 0 "[ . 1 . 2 . ]"
1 46 GLN 1.548 0.078 14 0 "[ . 1 . 2 . ]"
1 47 GLY 0.037 0.017 7 0 "[ . 1 . 2 . ]"
1 48 PHE 2.794 0.165 19 0 "[ . 1 . 2 . ]"
1 49 VAL 0.737 0.109 25 0 "[ . 1 . 2 . ]"
1 50 ALA 0.753 0.109 25 0 "[ . 1 . 2 . ]"
1 51 ASP 0.129 0.012 7 0 "[ . 1 . 2 . ]"
1 52 ALA 0.590 0.031 11 0 "[ . 1 . 2 . ]"
1 53 THR 0.611 0.040 7 0 "[ . 1 . 2 . ]"
1 54 ILE 1.094 0.078 2 0 "[ . 1 . 2 . ]"
1 55 ASN 0.131 0.034 9 0 "[ . 1 . 2 . ]"
1 56 THR 0.283 0.028 29 0 "[ . 1 . 2 . ]"
1 57 PRO 0.398 0.142 26 0 "[ . 1 . 2 . ]"
1 58 ASN 0.152 0.032 8 0 "[ . 1 . 2 . ]"
1 59 GLY 0.311 0.151 29 0 "[ . 1 . 2 . ]"
1 60 VAL 0.590 0.151 29 0 "[ . 1 . 2 . ]"
1 61 LEU 0.323 0.132 4 0 "[ . 1 . 2 . ]"
1 62 VAL 1.058 0.077 7 0 "[ . 1 . 2 . ]"
1 63 ALA 0.491 0.154 4 0 "[ . 1 . 2 . ]"
1 64 SER 0.290 0.026 13 0 "[ . 1 . 2 . ]"
1 65 GLY 0.312 0.026 13 0 "[ . 1 . 2 . ]"
1 66 LYS 0.001 0.001 13 0 "[ . 1 . 2 . ]"
1 67 HIS 0.419 0.053 27 0 "[ . 1 . 2 . ]"
1 68 GLU 0.059 0.039 28 0 "[ . 1 . 2 . ]"
1 69 ASP 0.471 0.053 27 0 "[ . 1 . 2 . ]"
1 70 MET 0.858 0.052 20 0 "[ . 1 . 2 . ]"
1 71 TYR 3.089 0.100 5 0 "[ . 1 . 2 . ]"
1 72 THR 0.931 0.047 21 0 "[ . 1 . 2 . ]"
1 73 ALA 0.204 0.035 8 0 "[ . 1 . 2 . ]"
1 74 ILE 1.902 0.075 25 0 "[ . 1 . 2 . ]"
1 75 ASN 0.099 0.030 24 0 "[ . 1 . 2 . ]"
1 76 GLU 0.618 0.047 21 0 "[ . 1 . 2 . ]"
1 77 LEU 0.747 0.050 21 0 "[ . 1 . 2 . ]"
1 78 ILE 0.063 0.021 12 0 "[ . 1 . 2 . ]"
1 79 ASN 0.077 0.020 8 0 "[ . 1 . 2 . ]"
1 80 LYS 0.027 0.022 6 0 "[ . 1 . 2 . ]"
1 81 LEU 1.377 0.154 4 0 "[ . 1 . 2 . ]"
1 82 GLU 0.283 0.059 17 0 "[ . 1 . 2 . ]"
1 83 ARG 0.260 0.048 4 0 "[ . 1 . 2 . ]"
1 84 GLN 0.379 0.102 4 0 "[ . 1 . 2 . ]"
1 85 LEU 0.156 0.021 19 0 "[ . 1 . 2 . ]"
1 86 ASN 1.062 0.131 17 0 "[ . 1 . 2 . ]"
1 87 LYS 0.704 0.114 14 0 "[ . 1 . 2 . ]"
1 88 LEU 0.178 0.032 8 0 "[ . 1 . 2 . ]"
1 89 GLN 0.793 0.114 14 0 "[ . 1 . 2 . ]"
1 90 HIS 0.288 0.055 4 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 MET HA 1 11 GLU H 1.800 . 3.300 2.330 2.138 3.427 0.127 9 0 "[ . 1 . 2 . ]" 1
2 1 10 MET HB3 1 11 GLU H 1.800 . 4.800 4.225 3.341 4.543 . 0 0 "[ . 1 . 2 . ]" 1
3 1 10 MET HB3 1 42 SER HB3 1.800 . 4.800 4.534 3.683 4.851 0.051 22 0 "[ . 1 . 2 . ]" 1
4 1 10 MET HB3 1 43 LYS HB2 1.800 . 4.800 3.093 1.862 3.947 . 0 0 "[ . 1 . 2 . ]" 1
5 1 10 MET HB3 1 43 LYS H 1.800 . 5.500 2.794 2.027 3.543 . 0 0 "[ . 1 . 2 . ]" 1
6 1 10 MET HB3 1 48 PHE HE1 1.800 . 5.500 4.368 2.123 5.665 0.165 19 0 "[ . 1 . 2 . ]" 1
7 1 10 MET HB2 1 11 GLU H 1.800 . 4.800 4.333 3.858 4.647 . 0 0 "[ . 1 . 2 . ]" 1
8 1 10 MET HB2 1 42 SER HA 1.800 . 4.800 3.785 2.551 4.711 . 0 0 "[ . 1 . 2 . ]" 1
9 1 10 MET HB2 1 43 LYS HB2 1.800 . 4.800 2.282 1.904 3.088 . 0 0 "[ . 1 . 2 . ]" 1
10 1 10 MET ME 1 13 THR MG 1.800 . 4.300 3.406 2.138 4.302 0.002 24 0 "[ . 1 . 2 . ]" 1
11 1 10 MET ME 1 16 ILE MD 1.800 . 5.500 3.707 1.800 5.331 . 0 0 "[ . 1 . 2 . ]" 1
12 1 10 MET ME 1 43 LYS HG3 1.800 . 4.800 3.157 1.929 4.237 . 0 0 "[ . 1 . 2 . ]" 1
13 1 10 MET ME 1 43 LYS HG2 1.800 . 4.800 4.301 3.356 4.810 0.010 9 0 "[ . 1 . 2 . ]" 1
14 1 10 MET ME 1 48 PHE HE1 1.800 . 4.800 3.164 1.845 4.370 . 0 0 "[ . 1 . 2 . ]" 1
15 1 10 MET ME 1 48 PHE HZ 1.800 . 4.300 2.671 1.839 4.200 . 0 0 "[ . 1 . 2 . ]" 1
16 1 10 MET QG 1 11 GLU H 1.800 . 5.500 3.368 1.948 4.443 . 0 0 "[ . 1 . 2 . ]" 1
17 1 10 MET HG3 1 43 LYS H 1.800 . 5.500 4.854 3.629 5.526 0.026 11 0 "[ . 1 . 2 . ]" 1
18 1 10 MET HG3 1 48 PHE HE1 1.800 . 5.500 4.285 2.328 5.523 0.023 5 0 "[ . 1 . 2 . ]" 1
19 1 10 MET HG2 1 42 SER HA 1.800 . 4.800 4.337 1.904 4.849 0.049 2 0 "[ . 1 . 2 . ]" 1
20 1 10 MET H 1 10 MET HB2 1.800 . 4.300 2.925 2.295 3.624 . 0 0 "[ . 1 . 2 . ]" 1
21 1 10 MET H 1 10 MET HG3 1.800 . 5.500 4.440 2.573 5.194 . 0 0 "[ . 1 . 2 . ]" 1
22 1 10 MET H 1 11 GLU H 1.800 . 5.500 3.956 2.484 4.640 . 0 0 "[ . 1 . 2 . ]" 1
23 1 10 MET H 1 42 SER HB3 1.800 . 5.500 4.559 3.780 5.506 0.006 18 0 "[ . 1 . 2 . ]" 1
24 1 10 MET H 1 43 LYS H 2.500 2.500 5.500 3.677 2.497 5.185 0.003 2 0 "[ . 1 . 2 . ]" 1
25 1 11 GLU HA 1 12 ILE H 1.800 . 3.800 2.519 2.133 2.772 . 0 0 "[ . 1 . 2 . ]" 1
26 1 11 GLU HB3 1 12 ILE H 1.800 . 4.300 3.066 1.969 4.237 . 0 0 "[ . 1 . 2 . ]" 1
27 1 11 GLU HB2 1 12 ILE H 1.800 . 3.800 2.876 1.958 3.859 0.059 9 0 "[ . 1 . 2 . ]" 1
28 1 11 GLU QG 1 12 ILE H 1.800 . 5.500 3.475 2.179 4.603 . 0 0 "[ . 1 . 2 . ]" 1
29 1 11 GLU H 1 11 GLU HB3 1.800 . 4.300 3.078 2.422 3.841 . 0 0 "[ . 1 . 2 . ]" 1
30 1 11 GLU H 1 12 ILE H 2.500 2.500 5.500 4.535 3.922 4.646 . 0 0 "[ . 1 . 2 . ]" 1
31 1 12 ILE HA 1 13 THR H 1.800 . 4.300 2.167 2.137 2.260 . 0 0 "[ . 1 . 2 . ]" 1
32 1 12 ILE HA 1 16 ILE HB 1.800 . 3.800 3.383 2.730 3.811 0.011 25 0 "[ . 1 . 2 . ]" 1
33 1 12 ILE HA 1 16 ILE MD 1.800 . 4.300 3.118 2.201 4.315 0.015 3 0 "[ . 1 . 2 . ]" 1
34 1 12 ILE HB 1 13 THR H 2.500 2.500 5.500 4.108 3.728 4.409 . 0 0 "[ . 1 . 2 . ]" 1
35 1 12 ILE HB 1 17 ARG HB3 1.800 . 3.800 3.527 2.830 3.863 0.063 5 0 "[ . 1 . 2 . ]" 1
36 1 12 ILE HB 1 17 ARG H 1.800 . 4.800 4.589 2.961 4.823 0.023 9 0 "[ . 1 . 2 . ]" 1
37 1 12 ILE HG13 1 41 LEU MD2 1.800 . 4.800 4.372 2.200 4.842 0.042 5 0 "[ . 1 . 2 . ]" 1
38 1 12 ILE MG 1 13 THR H 1.800 . 4.800 3.005 1.976 3.580 . 0 0 "[ . 1 . 2 . ]" 1
39 1 12 ILE MG 1 16 ILE HB 1.800 . 4.300 2.521 1.919 3.475 . 0 0 "[ . 1 . 2 . ]" 1
40 1 12 ILE MG 1 16 ILE MG 1.800 . 4.300 2.419 1.771 2.826 0.029 5 0 "[ . 1 . 2 . ]" 1
41 1 12 ILE MG 1 17 ARG QB 1.800 . 4.800 2.106 1.787 3.379 0.013 20 0 "[ . 1 . 2 . ]" 1
42 1 12 ILE MG 1 17 ARG H 1.800 . 4.300 2.645 2.253 3.495 . 0 0 "[ . 1 . 2 . ]" 1
43 1 12 ILE H 1 12 ILE MD 1.800 . 4.800 2.432 1.891 3.042 . 0 0 "[ . 1 . 2 . ]" 1
44 1 12 ILE H 1 12 ILE HG13 1.800 . 3.800 3.376 2.233 3.806 0.006 16 0 "[ . 1 . 2 . ]" 1
45 1 12 ILE H 1 12 ILE HG12 1.800 . 4.800 2.463 1.912 3.977 . 0 0 "[ . 1 . 2 . ]" 1
46 1 12 ILE H 1 12 ILE MG 1.800 . 4.800 3.780 3.514 3.855 . 0 0 "[ . 1 . 2 . ]" 1
47 1 12 ILE H 1 13 THR H 1.800 . 5.500 4.310 4.007 4.540 . 0 0 "[ . 1 . 2 . ]" 1
48 1 13 THR HA 1 14 PRO QD 1.800 . 4.800 2.153 2.116 2.224 . 0 0 "[ . 1 . 2 . ]" 1
49 1 13 THR HA 1 16 ILE H 3.000 3.000 5.500 4.700 4.494 4.924 . 0 0 "[ . 1 . 2 . ]" 1
50 1 13 THR HB 1 15 ALA H 1.800 . 4.800 3.239 2.939 3.745 . 0 0 "[ . 1 . 2 . ]" 1
51 1 13 THR MG 1 16 ILE MD 1.800 . 4.800 2.147 1.835 3.190 . 0 0 "[ . 1 . 2 . ]" 1
52 1 13 THR H 1 13 THR HB 1.800 . 4.300 3.612 3.566 3.690 . 0 0 "[ . 1 . 2 . ]" 1
53 1 13 THR H 1 14 PRO QD 1.800 . 5.500 4.394 4.370 4.413 . 0 0 "[ . 1 . 2 . ]" 1
54 1 13 THR H 1 15 ALA H 1.800 . 5.500 5.159 4.947 5.348 . 0 0 "[ . 1 . 2 . ]" 1
55 1 13 THR H 1 16 ILE HB 1.800 . 2.700 2.653 2.313 2.727 0.027 7 0 "[ . 1 . 2 . ]" 1
56 1 13 THR H 1 16 ILE MD 1.800 . 4.800 2.390 1.872 3.815 . 0 0 "[ . 1 . 2 . ]" 1
57 1 13 THR H 1 16 ILE MG 1.800 . 4.800 3.784 3.535 3.890 . 0 0 "[ . 1 . 2 . ]" 1
58 1 13 THR H 1 16 ILE H 1.800 . 4.800 3.898 3.648 4.082 . 0 0 "[ . 1 . 2 . ]" 1
59 1 13 THR H 1 17 ARG H 1.800 . 5.500 3.984 3.301 4.363 . 0 0 "[ . 1 . 2 . ]" 1
60 1 14 PRO HA 1 15 ALA H 1.800 . 4.300 3.543 3.513 3.569 . 0 0 "[ . 1 . 2 . ]" 1
61 1 14 PRO HA 1 16 ILE H 1.800 . 5.500 4.688 4.341 5.134 . 0 0 "[ . 1 . 2 . ]" 1
62 1 14 PRO HA 1 17 ARG HB3 1.800 . 3.800 3.526 2.747 3.833 0.033 27 0 "[ . 1 . 2 . ]" 1
63 1 14 PRO HA 1 17 ARG HB2 1.800 . 4.800 4.569 3.250 4.810 0.010 23 0 "[ . 1 . 2 . ]" 1
64 1 14 PRO HA 1 17 ARG QD 1.800 . 4.800 3.429 1.892 4.659 . 0 0 "[ . 1 . 2 . ]" 1
65 1 14 PRO HA 1 17 ARG H 1.800 . 5.500 3.874 3.639 4.149 . 0 0 "[ . 1 . 2 . ]" 1
66 1 14 PRO HA 1 18 GLN H 1.800 . 5.500 4.109 3.885 4.337 . 0 0 "[ . 1 . 2 . ]" 1
67 1 14 PRO HB2 1 15 ALA H 1.800 . 3.800 3.016 2.768 3.230 . 0 0 "[ . 1 . 2 . ]" 1
68 1 14 PRO HD2 1 15 ALA H 1.800 . 4.300 3.205 3.072 3.378 . 0 0 "[ . 1 . 2 . ]" 1
69 1 14 PRO QG 1 15 ALA H 1.800 . 4.800 2.515 2.339 2.727 . 0 0 "[ . 1 . 2 . ]" 1
70 1 15 ALA HA 1 16 ILE H 1.800 . 5.500 3.550 3.508 3.568 . 0 0 "[ . 1 . 2 . ]" 1
71 1 15 ALA HA 1 18 GLN HB2 1.800 . 4.800 3.223 2.652 4.184 . 0 0 "[ . 1 . 2 . ]" 1
72 1 15 ALA HA 1 18 GLN H 1.800 . 4.800 3.768 3.530 3.987 . 0 0 "[ . 1 . 2 . ]" 1
73 1 15 ALA HA 1 19 HIS H 2.500 2.500 5.500 4.319 3.874 4.578 . 0 0 "[ . 1 . 2 . ]" 1
74 1 15 ALA MB 1 16 ILE H 1.800 . 5.500 2.512 2.217 2.800 . 0 0 "[ . 1 . 2 . ]" 1
75 1 15 ALA H 1 16 ILE H 1.800 . 4.300 2.659 2.517 2.871 . 0 0 "[ . 1 . 2 . ]" 1
76 1 16 ILE HA 1 17 ARG H 1.800 . 4.800 3.565 3.543 3.580 . 0 0 "[ . 1 . 2 . ]" 1
77 1 16 ILE HA 1 18 GLN H 1.800 . 4.800 4.167 3.930 4.494 . 0 0 "[ . 1 . 2 . ]" 1
78 1 16 ILE HA 1 19 HIS HB2 1.800 . 4.300 2.727 2.251 3.461 . 0 0 "[ . 1 . 2 . ]" 1
79 1 16 ILE HA 1 19 HIS H 1.800 . 4.800 3.399 3.255 3.760 . 0 0 "[ . 1 . 2 . ]" 1
80 1 16 ILE HA 1 20 VAL H 1.800 . 5.500 4.019 3.292 4.450 . 0 0 "[ . 1 . 2 . ]" 1
81 1 16 ILE HA 1 71 TYR HE1 1.800 . 4.300 3.120 1.910 3.944 . 0 0 "[ . 1 . 2 . ]" 1
82 1 16 ILE HB 1 17 ARG H 1.800 . 4.300 2.421 2.174 2.676 . 0 0 "[ . 1 . 2 . ]" 1
83 1 16 ILE MD 1 17 ARG H 1.800 . 5.500 4.370 4.090 4.738 . 0 0 "[ . 1 . 2 . ]" 1
84 1 16 ILE MD 1 48 PHE HE1 1.800 . 5.500 4.660 3.264 5.510 0.010 16 0 "[ . 1 . 2 . ]" 1
85 1 16 ILE HG12 1 71 TYR HE1 1.800 . 5.500 4.466 3.182 5.510 0.010 27 0 "[ . 1 . 2 . ]" 1
86 1 16 ILE MG 1 17 ARG H 1.800 . 4.800 3.368 3.093 3.575 . 0 0 "[ . 1 . 2 . ]" 1
87 1 16 ILE MG 1 20 VAL MG1 1.800 . 4.800 3.991 2.203 4.811 0.011 6 0 "[ . 1 . 2 . ]" 1
88 1 16 ILE MG 1 41 LEU MD2 1.800 . 4.800 2.176 1.803 3.052 . 0 0 "[ . 1 . 2 . ]" 1
89 1 16 ILE H 1 16 ILE HB 1.800 . 3.800 2.566 2.471 2.679 . 0 0 "[ . 1 . 2 . ]" 1
90 1 16 ILE H 1 16 ILE MD 1.800 . 4.300 3.502 3.244 3.750 . 0 0 "[ . 1 . 2 . ]" 1
91 1 16 ILE H 1 16 ILE MG 1.800 . 4.800 3.771 3.763 3.785 . 0 0 "[ . 1 . 2 . ]" 1
92 1 16 ILE H 1 17 ARG H 1.800 . 4.800 2.713 2.500 2.862 . 0 0 "[ . 1 . 2 . ]" 1
93 1 16 ILE H 1 18 GLN H 1.800 . 4.800 4.004 3.816 4.277 . 0 0 "[ . 1 . 2 . ]" 1
94 1 16 ILE H 1 19 HIS HB2 2.500 2.500 6.200 5.002 4.571 5.644 . 0 0 "[ . 1 . 2 . ]" 1
95 1 16 ILE H 1 19 HIS H 3.000 3.000 5.500 4.766 4.546 5.139 . 0 0 "[ . 1 . 2 . ]" 1
96 1 17 ARG HA 1 20 VAL HB 1.800 . 4.800 3.650 2.798 4.717 . 0 0 "[ . 1 . 2 . ]" 1
97 1 17 ARG HA 1 20 VAL MG1 1.800 . 5.500 3.926 2.057 5.136 . 0 0 "[ . 1 . 2 . ]" 1
98 1 17 ARG HA 1 20 VAL H 1.800 . 4.800 3.870 3.483 4.265 . 0 0 "[ . 1 . 2 . ]" 1
99 1 17 ARG HA 1 21 ALA H 3.000 3.000 5.500 3.972 3.552 4.313 . 0 0 "[ . 1 . 2 . ]" 1
100 1 17 ARG H 1 17 ARG QB 1.800 . 3.300 2.238 2.034 2.365 . 0 0 "[ . 1 . 2 . ]" 1
101 1 17 ARG QB 1 18 GLN H 1.800 . 4.800 3.339 2.553 3.605 . 0 0 "[ . 1 . 2 . ]" 1
102 1 17 ARG H 1 18 GLN H 1.800 . 4.300 2.740 2.549 2.890 . 0 0 "[ . 1 . 2 . ]" 1
103 1 18 GLN HA 1 19 HIS H 2.500 2.500 5.500 3.540 3.493 3.575 . 0 0 "[ . 1 . 2 . ]" 1
104 1 18 GLN HA 1 20 VAL H 1.800 . 5.500 4.761 4.138 5.155 . 0 0 "[ . 1 . 2 . ]" 1
105 1 18 GLN HA 1 21 ALA MB 1.800 . 4.300 2.492 2.100 2.859 . 0 0 "[ . 1 . 2 . ]" 1
106 1 18 GLN HA 1 21 ALA H 1.800 . 4.800 3.614 3.305 3.906 . 0 0 "[ . 1 . 2 . ]" 1
107 1 18 GLN HA 1 22 ASP H 3.500 3.500 5.500 4.058 3.569 4.492 . 0 0 "[ . 1 . 2 . ]" 1
108 1 18 GLN HB2 1 19 HIS H 1.800 . 4.800 3.294 2.622 3.878 . 0 0 "[ . 1 . 2 . ]" 1
109 1 18 GLN HA 1 18 GLN HE21 1.800 . 5.500 3.453 1.984 4.840 . 0 0 "[ . 1 . 2 . ]" 1
110 1 18 GLN HA 1 18 GLN HE22 1.800 . 4.800 4.020 3.026 4.810 0.010 6 0 "[ . 1 . 2 . ]" 1
111 1 18 GLN QB 1 18 GLN HE22 1.800 . 4.800 3.882 3.227 4.431 . 0 0 "[ . 1 . 2 . ]" 1
112 1 18 GLN QG 1 19 HIS H 1.800 . 5.500 4.185 3.415 4.610 . 0 0 "[ . 1 . 2 . ]" 1
113 1 18 GLN H 1 19 HIS HB2 1.800 . 4.800 4.387 4.212 4.803 0.003 6 0 "[ . 1 . 2 . ]" 1
114 1 18 GLN H 1 19 HIS H 1.800 . 4.300 2.581 2.446 2.821 . 0 0 "[ . 1 . 2 . ]" 1
115 1 18 GLN H 1 20 VAL H 2.500 2.500 5.500 4.323 3.943 4.747 . 0 0 "[ . 1 . 2 . ]" 1
116 1 19 HIS HA 1 20 VAL H 2.500 2.500 5.500 3.560 3.505 3.576 . 0 0 "[ . 1 . 2 . ]" 1
117 1 19 HIS HA 1 21 ALA H 1.800 . 5.500 4.510 4.148 4.976 . 0 0 "[ . 1 . 2 . ]" 1
118 1 19 HIS HA 1 22 ASP HB3 1.800 . 5.500 3.973 2.883 5.483 . 0 0 "[ . 1 . 2 . ]" 1
119 1 19 HIS HA 1 22 ASP HB2 1.800 . 4.800 3.551 2.485 4.835 0.035 4 0 "[ . 1 . 2 . ]" 1
120 1 19 HIS HA 1 22 ASP H 1.800 . 5.500 3.767 3.399 4.089 . 0 0 "[ . 1 . 2 . ]" 1
121 1 19 HIS HA 1 23 ARG H 3.500 3.500 5.500 4.368 4.094 4.735 . 0 0 "[ . 1 . 2 . ]" 1
122 1 19 HIS HB3 1 20 VAL H 1.800 . 4.300 2.597 2.170 3.181 . 0 0 "[ . 1 . 2 . ]" 1
123 1 19 HIS HB3 1 71 TYR QE 1.800 . 4.800 4.134 1.955 4.866 0.066 25 0 "[ . 1 . 2 . ]" 1
124 1 19 HIS HB2 1 20 VAL H 1.800 . 4.800 3.040 2.704 3.544 . 0 0 "[ . 1 . 2 . ]" 1
125 1 19 HIS HB2 1 71 TYR QE 1.800 . 4.800 2.790 1.974 3.395 . 0 0 "[ . 1 . 2 . ]" 1
126 1 19 HIS HD2 1 71 TYR HA 1.800 . 4.800 3.403 3.014 4.388 . 0 0 "[ . 1 . 2 . ]" 1
127 1 19 HIS HD2 1 71 TYR HB3 1.800 . 4.800 4.318 3.831 4.812 0.012 2 0 "[ . 1 . 2 . ]" 1
128 1 19 HIS HD2 1 71 TYR HB2 3.000 3.000 5.500 5.487 5.279 5.598 0.098 4 0 "[ . 1 . 2 . ]" 1
129 1 19 HIS HD2 1 71 TYR QE 1.800 . 4.800 4.134 2.198 4.806 0.006 29 0 "[ . 1 . 2 . ]" 1
130 1 19 HIS HD2 1 74 ILE MD 1.800 . 4.800 3.856 1.967 4.833 0.033 27 0 "[ . 1 . 2 . ]" 1
131 1 19 HIS HD2 1 74 ILE MG 1.800 . 4.800 3.554 2.089 4.875 0.075 25 0 "[ . 1 . 2 . ]" 1
132 1 19 HIS HE1 1 71 TYR HA 1.800 . 5.500 4.996 4.035 5.520 0.020 6 0 "[ . 1 . 2 . ]" 1
133 1 19 HIS HE1 1 71 TYR HB3 1.800 . 4.300 4.172 3.611 4.324 0.024 21 0 "[ . 1 . 2 . ]" 1
134 1 19 HIS HE1 1 71 TYR HB2 1.800 . 5.500 5.427 5.279 5.525 0.025 2 0 "[ . 1 . 2 . ]" 1
135 1 19 HIS HE1 1 71 TYR QD 1.800 . 4.800 3.738 3.084 4.623 . 0 0 "[ . 1 . 2 . ]" 1
136 1 19 HIS HE1 1 71 TYR QE 1.800 . 5.500 3.790 2.672 5.584 0.084 4 0 "[ . 1 . 2 . ]" 1
137 1 19 HIS H 1 20 VAL H 1.800 . 4.800 2.843 2.649 3.127 . 0 0 "[ . 1 . 2 . ]" 1
138 1 19 HIS H 1 21 ALA H 1.800 . 5.500 4.085 3.847 4.380 . 0 0 "[ . 1 . 2 . ]" 1
139 1 2 THR MG 1 36 ASN HA 1.800 . 4.800 3.849 1.928 4.807 0.007 20 0 "[ . 1 . 2 . ]" 1
140 1 2 THR MG 1 4 ASN HD21 1.800 . 5.500 4.050 2.664 5.503 0.003 22 0 "[ . 1 . 2 . ]" 1
141 1 2 THR MG 1 4 ASN HD22 1.800 . 4.800 3.417 1.837 4.678 . 0 0 "[ . 1 . 2 . ]" 1
142 1 20 VAL HA 1 21 ALA H 1.800 . 5.500 3.532 3.491 3.568 . 0 0 "[ . 1 . 2 . ]" 1
143 1 20 VAL HA 1 22 ASP H 1.800 . 5.500 4.471 4.115 4.868 . 0 0 "[ . 1 . 2 . ]" 1
144 1 20 VAL HA 1 23 ARG HB2 1.800 . 4.300 3.231 2.174 4.367 0.067 5 0 "[ . 1 . 2 . ]" 1
145 1 20 VAL HA 1 23 ARG H 1.800 . 5.500 3.554 3.229 4.040 . 0 0 "[ . 1 . 2 . ]" 1
146 1 20 VAL HA 1 24 LEU H 2.500 2.500 5.500 3.793 3.301 4.294 . 0 0 "[ . 1 . 2 . ]" 1
147 1 20 VAL HB 1 21 ALA H 1.800 . 3.800 3.016 2.323 3.823 0.023 14 0 "[ . 1 . 2 . ]" 1
148 1 20 VAL MG1 1 21 ALA H 1.800 . 5.500 3.217 1.911 4.119 . 0 0 "[ . 1 . 2 . ]" 1
149 1 20 VAL MG1 1 39 ILE HB 1.800 . 4.300 3.991 3.307 4.331 0.031 29 0 "[ . 1 . 2 . ]" 1
150 1 20 VAL MG1 1 39 ILE MG 1.800 . 5.500 2.469 1.884 3.347 . 0 0 "[ . 1 . 2 . ]" 1
151 1 20 VAL MG2 1 21 ALA H 1.800 . 5.500 3.581 1.866 4.188 . 0 0 "[ . 1 . 2 . ]" 1
152 1 20 VAL MG2 1 39 ILE HB 1.800 . 5.500 4.632 3.471 5.501 0.001 24 0 "[ . 1 . 2 . ]" 1
153 1 20 VAL H 1 20 VAL MG1 1.800 . 3.800 3.279 2.079 3.775 . 0 0 "[ . 1 . 2 . ]" 1
154 1 20 VAL H 1 20 VAL MG2 1.800 . 4.800 2.466 1.931 3.768 . 0 0 "[ . 1 . 2 . ]" 1
155 1 20 VAL H 1 21 ALA MB 1.800 . 5.500 4.309 4.135 4.477 . 0 0 "[ . 1 . 2 . ]" 1
156 1 20 VAL H 1 21 ALA H 1.800 . 4.800 2.691 2.550 2.816 . 0 0 "[ . 1 . 2 . ]" 1
157 1 21 ALA HA 1 22 ASP H 1.800 . 5.500 3.545 3.488 3.574 . 0 0 "[ . 1 . 2 . ]" 1
158 1 21 ALA HA 1 24 LEU HB3 1.800 . 4.800 3.043 2.252 3.955 . 0 0 "[ . 1 . 2 . ]" 1
159 1 21 ALA HA 1 24 LEU HB2 1.800 . 3.800 3.530 2.908 3.811 0.011 11 0 "[ . 1 . 2 . ]" 1
160 1 21 ALA HA 1 24 LEU H 1.800 . 5.500 3.718 3.349 4.100 . 0 0 "[ . 1 . 2 . ]" 1
161 1 21 ALA HA 1 25 ALA H 2.500 2.500 5.500 4.061 3.246 4.630 . 0 0 "[ . 1 . 2 . ]" 1
162 1 21 ALA MB 1 22 ASP H 1.800 . 3.800 2.508 2.175 2.765 . 0 0 "[ . 1 . 2 . ]" 1
163 1 21 ALA H 1 22 ASP H 1.800 . 3.800 2.780 2.579 3.007 . 0 0 "[ . 1 . 2 . ]" 1
164 1 21 ALA H 1 23 ARG H 2.500 2.500 5.500 4.287 3.845 4.864 . 0 0 "[ . 1 . 2 . ]" 1
165 1 22 ASP HA 1 23 ARG H 1.800 . 5.500 3.542 3.500 3.576 . 0 0 "[ . 1 . 2 . ]" 1
166 1 22 ASP HA 1 24 LEU H 1.800 . 5.500 4.661 4.120 5.234 . 0 0 "[ . 1 . 2 . ]" 1
167 1 22 ASP HA 1 25 ALA MB 1.800 . 4.800 2.825 2.142 3.399 . 0 0 "[ . 1 . 2 . ]" 1
168 1 22 ASP HA 1 25 ALA H 1.800 . 5.500 3.688 3.380 4.079 . 0 0 "[ . 1 . 2 . ]" 1
169 1 22 ASP HA 1 26 LYS H 2.500 2.500 5.500 4.199 3.661 4.668 . 0 0 "[ . 1 . 2 . ]" 1
170 1 22 ASP HB3 1 23 ARG H 1.800 . 4.800 2.819 2.056 4.149 . 0 0 "[ . 1 . 2 . ]" 1
171 1 22 ASP HB2 1 23 ARG H 1.800 . 5.500 3.309 2.169 3.973 . 0 0 "[ . 1 . 2 . ]" 1
172 1 22 ASP H 1 22 ASP HB3 1.800 . 3.800 3.023 2.240 3.601 . 0 0 "[ . 1 . 2 . ]" 1
173 1 22 ASP H 1 22 ASP HB2 1.800 . 4.300 2.350 2.070 3.572 . 0 0 "[ . 1 . 2 . ]" 1
174 1 22 ASP H 1 23 ARG H 1.800 . 4.300 2.725 2.544 2.978 . 0 0 "[ . 1 . 2 . ]" 1
175 1 22 ASP H 1 24 LEU H 2.500 2.500 5.500 4.218 3.884 4.678 . 0 0 "[ . 1 . 2 . ]" 1
176 1 23 ARG HA 1 26 LYS QB 1.800 . 4.800 2.985 2.098 4.151 . 0 0 "[ . 1 . 2 . ]" 1
177 1 23 ARG HA 1 26 LYS QG 1.800 . 5.500 3.986 1.933 5.371 . 0 0 "[ . 1 . 2 . ]" 1
178 1 23 ARG HA 1 26 LYS H 1.800 . 4.800 3.584 3.065 4.122 . 0 0 "[ . 1 . 2 . ]" 1
179 1 23 ARG HA 1 27 LEU H 1.800 . 5.500 4.160 3.710 4.578 . 0 0 "[ . 1 . 2 . ]" 1
180 1 23 ARG QB 1 24 LEU HA 1.800 . 4.800 3.910 3.643 4.721 . 0 0 "[ . 1 . 2 . ]" 1
181 1 23 ARG QB 1 24 LEU H 1.800 . 4.300 2.580 2.300 3.294 . 0 0 "[ . 1 . 2 . ]" 1
182 1 23 ARG QD 1 24 LEU H 1.800 . 5.500 4.528 3.448 5.125 . 0 0 "[ . 1 . 2 . ]" 1
183 1 23 ARG QD 1 78 ILE MG 1.800 . 4.800 3.522 1.799 4.810 0.010 12 0 "[ . 1 . 2 . ]" 1
184 1 23 ARG H 1 23 ARG QD 1.800 . 5.500 3.568 1.901 4.764 . 0 0 "[ . 1 . 2 . ]" 1
185 1 23 ARG H 1 24 LEU H 1.800 . 4.300 2.698 2.546 3.004 . 0 0 "[ . 1 . 2 . ]" 1
186 1 24 LEU HA 1 25 ALA H 1.800 . 5.500 3.520 3.454 3.566 . 0 0 "[ . 1 . 2 . ]" 1
187 1 24 LEU HA 1 26 LYS H 1.800 . 5.500 4.671 4.324 4.964 . 0 0 "[ . 1 . 2 . ]" 1
188 1 24 LEU HA 1 27 LEU HB3 1.800 . 4.800 3.483 2.009 4.324 . 0 0 "[ . 1 . 2 . ]" 1
189 1 24 LEU HA 1 27 LEU HB2 1.800 . 3.800 2.864 2.239 3.732 . 0 0 "[ . 1 . 2 . ]" 1
190 1 24 LEU HA 1 27 LEU H 3.500 3.500 5.500 3.598 3.469 3.906 0.031 27 0 "[ . 1 . 2 . ]" 1
191 1 24 LEU HA 1 28 GLU H 1.800 . 5.500 4.953 4.241 5.509 0.009 22 0 "[ . 1 . 2 . ]" 1
192 1 24 LEU HB3 1 25 ALA H 1.800 . 4.800 2.708 2.327 3.132 . 0 0 "[ . 1 . 2 . ]" 1
193 1 24 LEU MD1 1 25 ALA H 2.500 2.500 5.500 4.616 3.692 5.073 . 0 0 "[ . 1 . 2 . ]" 1
194 1 24 LEU MD1 1 37 PRO HB3 1.800 . 3.300 2.829 2.230 3.318 0.018 27 0 "[ . 1 . 2 . ]" 1
195 1 24 LEU MD1 1 37 PRO HB2 1.800 . 3.800 2.636 1.943 3.455 . 0 0 "[ . 1 . 2 . ]" 1
196 1 24 LEU MD2 1 25 ALA H 1.800 . 4.800 4.204 2.541 4.798 . 0 0 "[ . 1 . 2 . ]" 1
197 1 24 LEU MD2 1 37 PRO HG3 1.800 . 4.300 3.384 2.027 4.303 0.003 6 0 "[ . 1 . 2 . ]" 1
198 1 24 LEU MD2 1 37 PRO HG2 1.800 . 4.800 3.769 2.710 4.596 . 0 0 "[ . 1 . 2 . ]" 1
199 1 24 LEU HG 1 25 ALA H 1.800 . 5.500 4.358 3.384 5.322 . 0 0 "[ . 1 . 2 . ]" 1
200 1 24 LEU H 1 24 LEU HB3 1.800 . 3.300 2.742 2.374 3.293 . 0 0 "[ . 1 . 2 . ]" 1
201 1 24 LEU H 1 24 LEU HB2 1.800 . 3.300 2.333 2.058 2.667 . 0 0 "[ . 1 . 2 . ]" 1
202 1 24 LEU H 1 24 LEU MD1 1.800 . 5.500 3.949 3.246 4.282 . 0 0 "[ . 1 . 2 . ]" 1
203 1 24 LEU H 1 24 LEU MD2 1.800 . 5.500 4.101 3.054 4.435 . 0 0 "[ . 1 . 2 . ]" 1
204 1 24 LEU H 1 25 ALA H 1.800 . 4.800 2.719 2.528 2.936 . 0 0 "[ . 1 . 2 . ]" 1
205 1 24 LEU H 1 26 LYS H 2.500 2.500 5.500 4.385 4.016 4.927 . 0 0 "[ . 1 . 2 . ]" 1
206 1 25 ALA HA 1 26 LYS H 1.800 . 4.800 3.552 3.511 3.577 . 0 0 "[ . 1 . 2 . ]" 1
207 1 25 ALA HA 1 28 GLU QB 1.800 . 4.800 3.333 2.336 4.311 . 0 0 "[ . 1 . 2 . ]" 1
208 1 25 ALA HA 1 28 GLU H 1.800 . 4.300 3.734 3.421 4.104 . 0 0 "[ . 1 . 2 . ]" 1
209 1 25 ALA MB 1 26 LYS H 1.800 . 4.300 2.461 2.142 2.768 . 0 0 "[ . 1 . 2 . ]" 1
210 1 25 ALA H 1 26 LYS H 1.800 . 4.800 2.702 2.495 2.985 . 0 0 "[ . 1 . 2 . ]" 1
211 1 26 LYS HA 1 27 LEU H 1.800 . 4.800 3.501 3.417 3.573 . 0 0 "[ . 1 . 2 . ]" 1
212 1 26 LYS HA 1 28 GLU H 1.800 . 4.800 3.728 3.444 4.067 . 0 0 "[ . 1 . 2 . ]" 1
213 1 26 LYS HA 1 29 LYS QB 1.800 . 4.800 4.059 3.296 4.756 . 0 0 "[ . 1 . 2 . ]" 1
214 1 26 LYS HA 1 29 LYS H 1.800 . 4.300 3.930 3.557 4.277 . 0 0 "[ . 1 . 2 . ]" 1
215 1 26 LYS H 1 27 LEU H 1.800 . 4.800 2.653 2.555 2.927 . 0 0 "[ . 1 . 2 . ]" 1
216 1 27 LEU HA 1 28 GLU H 1.800 . 4.800 3.437 3.384 3.520 . 0 0 "[ . 1 . 2 . ]" 1
217 1 27 LEU HA 1 29 LYS H 1.800 . 4.300 3.569 3.377 3.948 . 0 0 "[ . 1 . 2 . ]" 1
218 1 27 LEU HA 1 30 TRP HB3 1.800 . 5.500 4.783 3.595 5.410 . 0 0 "[ . 1 . 2 . ]" 1
219 1 27 LEU HA 1 30 TRP HB2 1.800 . 3.800 3.200 2.106 3.805 0.005 8 0 "[ . 1 . 2 . ]" 1
220 1 27 LEU HA 1 30 TRP HD1 1.800 . 3.800 2.080 1.887 2.714 . 0 0 "[ . 1 . 2 . ]" 1
221 1 27 LEU HA 1 30 TRP HE1 1.800 . 4.300 4.126 3.515 4.328 0.028 10 0 "[ . 1 . 2 . ]" 1
222 1 27 LEU QB 1 28 GLU H 1.800 . 4.800 3.036 2.743 3.216 . 0 0 "[ . 1 . 2 . ]" 1
223 1 27 LEU MD1 1 54 ILE MD 1.800 . 4.800 3.007 1.794 4.404 0.006 25 0 "[ . 1 . 2 . ]" 1
224 1 27 LEU MD1 1 85 LEU MD1 1.800 . 4.800 3.333 2.077 4.461 . 0 0 "[ . 1 . 2 . ]" 1
225 1 27 LEU MD1 1 85 LEU MD2 1.800 . 5.500 4.682 2.373 5.510 0.010 13 0 "[ . 1 . 2 . ]" 1
226 1 27 LEU MD2 1 28 GLU H 1.800 . 5.500 4.456 3.442 5.037 . 0 0 "[ . 1 . 2 . ]" 1
227 1 27 LEU MD2 1 30 TRP HD1 1.800 . 4.800 2.993 2.098 4.117 . 0 0 "[ . 1 . 2 . ]" 1
228 1 27 LEU MD2 1 30 TRP HE1 1.800 . 4.800 4.160 3.122 4.813 0.013 28 0 "[ . 1 . 2 . ]" 1
229 1 27 LEU MD2 1 30 TRP H 1.800 . 5.500 4.177 3.322 5.541 0.041 10 0 "[ . 1 . 2 . ]" 1
230 1 27 LEU MD2 1 54 ILE MG 1.800 . 4.800 4.303 3.386 4.827 0.027 7 0 "[ . 1 . 2 . ]" 1
231 1 27 LEU MD2 1 85 LEU MD1 1.800 . 3.800 2.398 1.797 3.808 0.008 21 0 "[ . 1 . 2 . ]" 1
232 1 27 LEU MD2 1 85 LEU MD2 1.800 . 4.300 3.596 2.029 4.308 0.008 10 0 "[ . 1 . 2 . ]" 1
233 1 27 LEU HG 1 28 GLU H 1.800 . 5.500 5.092 4.709 5.496 . 0 0 "[ . 1 . 2 . ]" 1
234 1 27 LEU H 1 28 GLU H 1.800 . 4.800 2.664 2.573 2.746 . 0 0 "[ . 1 . 2 . ]" 1
235 1 28 GLU HA 1 29 LYS H 1.800 . 4.800 3.442 3.401 3.537 . 0 0 "[ . 1 . 2 . ]" 1
236 1 28 GLU H 1 29 LYS H 1.800 . 3.800 2.688 2.569 2.869 . 0 0 "[ . 1 . 2 . ]" 1
237 1 29 LYS HA 1 30 TRP H 1.800 . 3.800 3.128 2.635 3.511 . 0 0 "[ . 1 . 2 . ]" 1
238 1 29 LYS HA 1 32 THR H 3.500 3.500 5.500 5.233 4.264 5.567 0.067 15 0 "[ . 1 . 2 . ]" 1
239 1 29 LYS QB 1 30 TRP H 1.800 . 4.800 3.599 2.853 4.035 . 0 0 "[ . 1 . 2 . ]" 1
240 1 29 LYS QG 1 30 TRP H 1.800 . 5.500 4.179 2.096 4.735 . 0 0 "[ . 1 . 2 . ]" 1
241 1 29 LYS H 1 30 TRP H 1.800 . 4.300 2.659 2.262 3.181 . 0 0 "[ . 1 . 2 . ]" 1
242 1 3 MET HA 1 37 PRO HB3 1.800 . 4.800 4.606 4.207 4.815 0.015 7 0 "[ . 1 . 2 . ]" 1
243 1 3 MET HA 1 37 PRO HB2 1.800 . 3.800 3.465 2.943 3.819 0.019 18 0 "[ . 1 . 2 . ]" 1
244 1 3 MET HA 1 37 PRO HG3 1.800 . 3.300 3.179 2.938 3.323 0.023 17 0 "[ . 1 . 2 . ]" 1
245 1 3 MET HA 1 37 PRO HG2 1.800 . 2.700 2.030 1.917 2.330 . 0 0 "[ . 1 . 2 . ]" 1
246 1 3 MET HA 1 4 ASN QB 1.800 . 5.500 4.479 4.242 4.803 . 0 0 "[ . 1 . 2 . ]" 1
247 1 3 MET HA 1 4 ASN H 1.800 . 4.300 2.322 2.202 2.587 . 0 0 "[ . 1 . 2 . ]" 1
248 1 3 MET QB 1 4 ASN H 1.800 . 4.800 3.978 3.729 4.050 . 0 0 "[ . 1 . 2 . ]" 1
249 1 3 MET ME 1 24 LEU HB3 1.800 . 4.300 3.579 2.443 4.319 0.019 2 0 "[ . 1 . 2 . ]" 1
250 1 3 MET ME 1 24 LEU MD2 1.800 . 3.300 2.650 1.794 3.351 0.051 6 0 "[ . 1 . 2 . ]" 1
251 1 3 MET ME 1 5 ILE MD 1.800 . 3.300 2.938 1.801 3.317 0.017 23 0 "[ . 1 . 2 . ]" 1
252 1 3 MET QG 1 24 LEU MD2 1.800 . 4.800 3.456 1.892 4.810 0.010 1 0 "[ . 1 . 2 . ]" 1
253 1 3 MET H 1 4 ASN H 1.800 . 4.800 3.418 2.526 4.230 . 0 0 "[ . 1 . 2 . ]" 1
254 1 30 TRP HA 1 31 GLN H 1.800 . 4.300 2.801 2.390 3.155 . 0 0 "[ . 1 . 2 . ]" 1
255 1 30 TRP HB3 1 32 THR HB 1.800 . 4.800 4.229 3.045 4.845 0.045 7 0 "[ . 1 . 2 . ]" 1
256 1 30 TRP HB3 1 85 LEU MD2 1.800 . 4.800 2.563 1.855 3.489 . 0 0 "[ . 1 . 2 . ]" 1
257 1 30 TRP HB2 1 85 LEU MD2 1.800 . 4.300 3.775 2.443 4.305 0.005 1 0 "[ . 1 . 2 . ]" 1
258 1 30 TRP HD1 1 85 LEU MD1 3.000 3.000 5.500 4.476 3.285 5.517 0.017 19 0 "[ . 1 . 2 . ]" 1
259 1 30 TRP HB2 1 30 TRP HE1 1.800 . 5.500 4.786 4.748 4.853 . 0 0 "[ . 1 . 2 . ]" 1
260 1 30 TRP HE1 1 82 GLU QG 1.800 . 4.800 3.424 2.111 4.487 . 0 0 "[ . 1 . 2 . ]" 1
261 1 30 TRP HE3 1 89 GLN QG 1.800 . 5.500 4.067 2.209 5.321 . 0 0 "[ . 1 . 2 . ]" 1
262 1 30 TRP HE3 1 31 GLN QB 1.800 . 4.800 4.003 2.673 4.790 . 0 0 "[ . 1 . 2 . ]" 1
263 1 30 TRP HH2 1 82 GLU QG 1.800 . 4.300 3.098 2.048 4.191 . 0 0 "[ . 1 . 2 . ]" 1
264 1 30 TRP HH2 1 85 LEU QB 1.800 . 5.500 4.103 3.068 5.479 . 0 0 "[ . 1 . 2 . ]" 1
265 1 30 TRP HH2 1 86 ASN HA 1.800 . 4.800 4.425 3.347 4.814 0.014 15 0 "[ . 1 . 2 . ]" 1
266 1 30 TRP HH2 1 86 ASN QB 1.800 . 4.800 3.781 2.217 4.681 . 0 0 "[ . 1 . 2 . ]" 1
267 1 30 TRP HH2 1 86 ASN H 1.800 . 4.800 4.158 3.365 4.826 0.026 2 0 "[ . 1 . 2 . ]" 1
268 1 30 TRP H 1 30 TRP HB2 1.800 . 3.800 2.239 2.060 2.461 . 0 0 "[ . 1 . 2 . ]" 1
269 1 30 TRP H 1 31 GLN H 2.500 2.500 5.500 3.391 2.495 4.666 0.005 23 0 "[ . 1 . 2 . ]" 1
270 1 30 TRP HZ2 1 82 GLU HA 1.800 . 5.500 3.973 3.198 4.901 . 0 0 "[ . 1 . 2 . ]" 1
271 1 30 TRP HZ2 1 82 GLU HB3 1.800 . 4.800 4.277 3.220 4.824 0.024 16 0 "[ . 1 . 2 . ]" 1
272 1 30 TRP HZ2 1 82 GLU HB2 1.800 . 4.800 4.471 3.009 4.814 0.014 25 0 "[ . 1 . 2 . ]" 1
273 1 30 TRP HZ2 1 82 GLU QG 1.800 . 4.300 2.122 1.942 2.477 . 0 0 "[ . 1 . 2 . ]" 1
274 1 30 TRP HZ3 1 86 ASN HA 1.800 . 4.800 3.045 2.060 3.584 . 0 0 "[ . 1 . 2 . ]" 1
275 1 30 TRP HZ3 1 86 ASN H 1.800 . 4.300 3.764 2.342 4.315 0.015 19 0 "[ . 1 . 2 . ]" 1
276 1 31 GLN HA 1 32 THR H 1.800 . 4.300 3.004 2.451 3.377 . 0 0 "[ . 1 . 2 . ]" 1
277 1 31 GLN QB 1 32 THR H 1.800 . 3.800 3.686 3.270 3.959 0.159 4 0 "[ . 1 . 2 . ]" 1
278 1 31 GLN H 1 32 THR H 1.800 . 4.800 3.033 2.810 3.729 . 0 0 "[ . 1 . 2 . ]" 1
279 1 32 THR HA 1 33 HIS H 1.800 . 4.300 2.719 2.159 3.562 . 0 0 "[ . 1 . 2 . ]" 1
280 1 32 THR HA 1 56 THR HB 1.800 . 4.800 4.557 2.795 4.827 0.027 1 0 "[ . 1 . 2 . ]" 1
281 1 32 THR HA 1 89 GLN HE21 1.800 . 5.500 4.898 3.686 5.507 0.007 2 0 "[ . 1 . 2 . ]" 1
282 1 32 THR MG 1 33 HIS HD2 1.800 . 4.800 4.487 3.394 4.822 0.022 14 0 "[ . 1 . 2 . ]" 1
283 1 32 THR MG 1 34 LEU MD2 1.800 . 3.800 2.630 1.765 3.814 0.035 20 0 "[ . 1 . 2 . ]" 1
284 1 32 THR MG 1 56 THR HA 1.800 . 4.800 3.737 2.704 4.805 0.005 20 0 "[ . 1 . 2 . ]" 1
285 1 32 THR MG 1 57 PRO HD3 1.800 . 4.800 3.841 2.596 4.805 0.005 25 0 "[ . 1 . 2 . ]" 1
286 1 32 THR MG 1 57 PRO HD2 1.800 . 4.800 2.806 1.849 4.474 . 0 0 "[ . 1 . 2 . ]" 1
287 1 32 THR MG 1 33 HIS H 1.800 . 5.500 2.788 1.829 4.468 . 0 0 "[ . 1 . 2 . ]" 1
288 1 32 THR H 1 33 HIS H 1.800 . 4.800 4.066 2.271 4.607 . 0 0 "[ . 1 . 2 . ]" 1
289 1 33 HIS HB3 1 34 LEU H 1.800 . 4.800 3.980 2.395 4.567 . 0 0 "[ . 1 . 2 . ]" 1
290 1 33 HIS HB2 1 34 LEU H 1.800 . 4.800 3.376 2.168 4.652 . 0 0 "[ . 1 . 2 . ]" 1
291 1 33 HIS HD2 1 57 PRO HD3 1.800 . 5.500 3.464 1.793 5.016 0.007 26 0 "[ . 1 . 2 . ]" 1
292 1 33 HIS HD2 1 57 PRO HD2 1.800 . 4.800 4.166 3.015 4.820 0.020 27 0 "[ . 1 . 2 . ]" 1
293 1 33 HIS HD2 1 57 PRO HG3 1.800 . 4.300 2.882 1.926 4.226 . 0 0 "[ . 1 . 2 . ]" 1
294 1 33 HIS H 1 34 LEU MD1 1.800 . 4.800 3.851 1.984 4.799 . 0 0 "[ . 1 . 2 . ]" 1
295 1 33 HIS H 1 34 LEU H 1.800 . 4.800 2.165 1.816 3.783 . 0 0 "[ . 1 . 2 . ]" 1
296 1 33 HIS H 1 57 PRO HD3 1.800 . 5.500 3.142 1.963 5.246 . 0 0 "[ . 1 . 2 . ]" 1
297 1 33 HIS H 1 57 PRO HD2 1.800 . 4.300 3.255 2.175 4.442 0.142 26 0 "[ . 1 . 2 . ]" 1
298 1 34 LEU HA 1 35 ILE MD 1.800 . 4.800 4.163 2.732 4.832 0.032 10 0 "[ . 1 . 2 . ]" 1
299 1 34 LEU HA 1 35 ILE HG13 1.800 . 5.500 4.435 3.261 5.517 0.017 5 0 "[ . 1 . 2 . ]" 1
300 1 34 LEU HA 1 35 ILE HG12 1.800 . 5.500 4.075 3.233 5.451 . 0 0 "[ . 1 . 2 . ]" 1
301 1 34 LEU HA 1 35 ILE H 1.800 . 3.800 2.172 2.120 2.257 . 0 0 "[ . 1 . 2 . ]" 1
302 1 34 LEU HA 1 54 ILE MG 1.800 . 5.500 3.231 1.927 4.848 . 0 0 "[ . 1 . 2 . ]" 1
303 1 34 LEU HA 1 55 ASN HB3 1.800 . 5.500 4.575 3.368 5.323 . 0 0 "[ . 1 . 2 . ]" 1
304 1 34 LEU HA 1 55 ASN H 1.800 . 4.800 4.261 3.336 4.804 0.004 26 0 "[ . 1 . 2 . ]" 1
305 1 34 LEU HA 1 56 THR HA 1.800 . 3.800 2.776 1.966 3.572 . 0 0 "[ . 1 . 2 . ]" 1
306 1 34 LEU QB 1 35 ILE H 1.800 . 4.800 3.273 2.735 3.739 . 0 0 "[ . 1 . 2 . ]" 1
307 1 34 LEU QB 1 36 ASN H 1.800 . 5.500 4.556 3.999 5.125 . 0 0 "[ . 1 . 2 . ]" 1
308 1 34 LEU QB 1 54 ILE MG 1.800 . 4.800 2.209 1.765 3.044 0.035 21 0 "[ . 1 . 2 . ]" 1
309 1 34 LEU QB 1 56 THR HA 1.800 . 5.500 4.426 2.815 5.349 . 0 0 "[ . 1 . 2 . ]" 1
310 1 34 LEU MD1 1 37 PRO HB3 1.800 . 4.800 4.306 3.199 4.835 0.035 21 0 "[ . 1 . 2 . ]" 1
311 1 34 LEU MD2 1 35 ILE H 1.800 . 4.800 4.661 4.092 4.885 0.085 17 0 "[ . 1 . 2 . ]" 1
312 1 34 LEU MD2 1 54 ILE MG 1.800 . 4.800 3.147 1.781 3.834 0.019 1 0 "[ . 1 . 2 . ]" 1
313 1 34 LEU H 1 34 LEU MD1 1.800 . 3.300 2.862 1.847 3.371 0.071 26 0 "[ . 1 . 2 . ]" 1
314 1 34 LEU H 1 34 LEU MD2 1.800 . 3.300 2.631 1.860 3.352 0.052 24 0 "[ . 1 . 2 . ]" 1
315 1 34 LEU H 1 35 ILE H 1.800 . 4.800 4.055 3.395 4.546 . 0 0 "[ . 1 . 2 . ]" 1
316 1 35 ILE HA 1 36 ASN QB 3.500 3.500 5.500 5.165 4.941 5.506 0.006 29 0 "[ . 1 . 2 . ]" 1
317 1 35 ILE HA 1 36 ASN H 1.800 . 4.300 3.568 3.538 3.592 . 0 0 "[ . 1 . 2 . ]" 1
318 1 35 ILE HA 1 37 PRO QD 1.800 . 4.800 3.631 3.191 4.250 . 0 0 "[ . 1 . 2 . ]" 1
319 1 35 ILE HB 1 55 ASN HB3 1.800 . 4.800 3.537 2.178 4.813 0.013 9 0 "[ . 1 . 2 . ]" 1
320 1 35 ILE MD 1 55 ASN QB 1.800 . 4.800 3.574 1.942 4.787 . 0 0 "[ . 1 . 2 . ]" 1
321 1 35 ILE HG13 1 36 ASN QB 1.800 . 5.500 4.768 2.348 5.543 0.043 15 0 "[ . 1 . 2 . ]" 1
322 1 35 ILE MG 1 36 ASN H 1.800 . 5.500 3.727 3.247 4.235 . 0 0 "[ . 1 . 2 . ]" 1
323 1 35 ILE H 1 35 ILE HG13 1.800 . 3.800 2.899 1.900 3.816 0.016 20 0 "[ . 1 . 2 . ]" 1
324 1 35 ILE H 1 36 ASN H 1.800 . 5.500 2.353 2.057 2.794 . 0 0 "[ . 1 . 2 . ]" 1
325 1 35 ILE H 1 37 PRO QD 1.800 . 5.500 3.966 3.203 4.543 . 0 0 "[ . 1 . 2 . ]" 1
326 1 35 ILE H 1 55 ASN HB3 1.800 . 3.800 3.180 2.077 3.702 . 0 0 "[ . 1 . 2 . ]" 1
327 1 35 ILE H 1 55 ASN H 1.800 . 4.800 3.731 3.151 4.386 . 0 0 "[ . 1 . 2 . ]" 1
328 1 36 ASN HB3 1 55 ASN HB2 1.800 . 4.300 3.091 1.922 4.334 0.034 9 0 "[ . 1 . 2 . ]" 1
329 1 36 ASN HB3 1 36 ASN HD22 1.800 . 3.800 3.702 3.443 4.017 0.217 11 0 "[ . 1 . 2 . ]" 1
330 1 36 ASN HB2 1 36 ASN HD22 1.800 . 3.800 3.603 3.458 3.822 0.022 9 0 "[ . 1 . 2 . ]" 1
331 1 36 ASN H 1 37 PRO QD 1.800 . 5.500 3.374 3.048 3.766 . 0 0 "[ . 1 . 2 . ]" 1
332 1 36 ASN H 1 55 ASN QB 1.800 . 5.500 2.131 1.904 2.643 . 0 0 "[ . 1 . 2 . ]" 1
333 1 37 PRO HA 1 38 HIS HB3 1.800 . 5.500 5.424 5.259 5.508 0.008 8 0 "[ . 1 . 2 . ]" 1
334 1 37 PRO HA 1 38 HIS H 1.800 . 3.800 2.258 2.143 2.421 . 0 0 "[ . 1 . 2 . ]" 1
335 1 37 PRO HA 1 53 THR H 2.500 2.500 5.500 5.107 4.449 5.525 0.025 18 0 "[ . 1 . 2 . ]" 1
336 1 37 PRO HA 1 54 ILE HA 1.800 . 2.700 2.066 1.789 2.542 0.011 19 0 "[ . 1 . 2 . ]" 1
337 1 37 PRO HA 1 54 ILE MD 1.800 . 5.500 4.104 3.516 4.667 . 0 0 "[ . 1 . 2 . ]" 1
338 1 37 PRO HA 1 54 ILE MG 1.800 . 3.800 2.122 1.850 2.784 . 0 0 "[ . 1 . 2 . ]" 1
339 1 37 PRO HA 1 54 ILE H 3.000 3.000 5.500 4.623 4.329 5.101 . 0 0 "[ . 1 . 2 . ]" 1
340 1 37 PRO HA 1 55 ASN H 1.800 . 4.800 3.296 2.428 3.848 . 0 0 "[ . 1 . 2 . ]" 1
341 1 37 PRO HB3 1 38 HIS H 1.800 . 4.800 4.389 3.949 4.572 . 0 0 "[ . 1 . 2 . ]" 1
342 1 37 PRO HB3 1 54 ILE MG 1.800 . 3.800 2.102 1.814 2.701 . 0 0 "[ . 1 . 2 . ]" 1
343 1 37 PRO HB2 1 54 ILE MD 1.800 . 5.500 4.383 3.397 5.296 . 0 0 "[ . 1 . 2 . ]" 1
344 1 37 PRO HB2 1 54 ILE MG 1.800 . 4.800 3.186 2.647 3.772 . 0 0 "[ . 1 . 2 . ]" 1
345 1 37 PRO HD3 1 38 HIS H 2.500 2.500 5.500 5.392 5.157 5.576 0.076 26 0 "[ . 1 . 2 . ]" 1
346 1 38 HIS HA 1 39 ILE HB 1.800 . 4.800 4.577 4.346 4.806 0.006 22 0 "[ . 1 . 2 . ]" 1
347 1 38 HIS HA 1 39 ILE H 1.800 . 4.300 2.195 2.143 2.254 . 0 0 "[ . 1 . 2 . ]" 1
348 1 38 HIS HB3 1 39 ILE H 2.500 2.500 5.500 3.560 3.182 4.126 . 0 0 "[ . 1 . 2 . ]" 1
349 1 38 HIS HB3 1 53 THR HB 1.800 . 5.500 3.407 2.282 4.787 . 0 0 "[ . 1 . 2 . ]" 1
350 1 38 HIS HB3 1 53 THR H 1.800 . 5.500 2.910 2.375 3.719 . 0 0 "[ . 1 . 2 . ]" 1
351 1 38 HIS HB2 1 39 ILE H 2.500 2.500 5.500 4.422 4.254 4.655 . 0 0 "[ . 1 . 2 . ]" 1
352 1 38 HIS HB2 1 53 THR HB 1.800 . 5.500 3.345 2.083 5.165 . 0 0 "[ . 1 . 2 . ]" 1
353 1 38 HIS HD2 1 39 ILE HA 3.500 3.500 5.500 5.044 4.578 5.504 0.004 18 0 "[ . 1 . 2 . ]" 1
354 1 38 HIS HD2 1 39 ILE H 1.800 . 4.300 2.815 2.118 3.831 . 0 0 "[ . 1 . 2 . ]" 1
355 1 38 HIS HD2 1 40 ILE MD 1.800 . 5.500 3.754 2.404 5.172 . 0 0 "[ . 1 . 2 . ]" 1
356 1 38 HIS H 1 38 HIS HD2 2.500 2.500 5.500 5.218 4.921 5.437 . 0 0 "[ . 1 . 2 . ]" 1
357 1 38 HIS H 1 39 ILE H 1.800 . 5.500 4.458 4.139 4.618 . 0 0 "[ . 1 . 2 . ]" 1
358 1 38 HIS H 1 53 THR H 1.800 . 4.800 3.509 2.784 3.980 . 0 0 "[ . 1 . 2 . ]" 1
359 1 38 HIS H 1 54 ILE HA 1.800 . 3.800 2.774 2.381 3.106 . 0 0 "[ . 1 . 2 . ]" 1
360 1 38 HIS H 1 54 ILE MD 1.800 . 5.500 5.126 4.608 5.516 0.016 23 0 "[ . 1 . 2 . ]" 1
361 1 38 HIS H 1 54 ILE MG 1.800 . 4.800 3.790 3.212 4.432 . 0 0 "[ . 1 . 2 . ]" 1
362 1 38 HIS H 1 54 ILE H 2.500 2.500 5.500 4.489 4.097 4.919 . 0 0 "[ . 1 . 2 . ]" 1
363 1 38 HIS H 1 55 ASN H 2.500 2.500 5.500 4.221 3.747 4.593 . 0 0 "[ . 1 . 2 . ]" 1
364 1 39 ILE HA 1 39 ILE MD 1.800 . 4.800 2.710 1.970 3.841 . 0 0 "[ . 1 . 2 . ]" 1
365 1 39 ILE HA 1 39 ILE MG 1.800 . 3.800 2.360 2.180 2.481 . 0 0 "[ . 1 . 2 . ]" 1
366 1 39 ILE HA 1 40 ILE H 1.800 . 4.300 2.155 2.127 2.213 . 0 0 "[ . 1 . 2 . ]" 1
367 1 39 ILE HA 1 51 ASP H 2.500 2.500 5.500 5.331 4.857 5.512 0.012 7 0 "[ . 1 . 2 . ]" 1
368 1 39 ILE HA 1 52 ALA HA 1.800 . 2.700 2.104 1.861 2.465 . 0 0 "[ . 1 . 2 . ]" 1
369 1 39 ILE HA 1 52 ALA MB 1.800 . 5.500 2.597 1.925 3.464 . 0 0 "[ . 1 . 2 . ]" 1
370 1 39 ILE HA 1 53 THR H 1.800 . 4.800 3.468 3.038 3.987 . 0 0 "[ . 1 . 2 . ]" 1
371 1 39 ILE HB 1 52 ALA HA 2.500 2.500 5.500 5.069 4.618 5.421 . 0 0 "[ . 1 . 2 . ]" 1
372 1 39 ILE MD 1 52 ALA HA 1.800 . 4.300 3.548 2.237 4.331 0.031 11 0 "[ . 1 . 2 . ]" 1
373 1 39 ILE MD 1 52 ALA MB 1.800 . 3.300 2.528 1.771 3.312 0.029 26 0 "[ . 1 . 2 . ]" 1
374 1 39 ILE HG13 1 52 ALA HA 1.800 . 5.500 4.517 3.125 5.523 0.023 26 0 "[ . 1 . 2 . ]" 1
375 1 39 ILE H 1 40 ILE H 2.500 2.500 5.500 4.101 3.820 4.421 . 0 0 "[ . 1 . 2 . ]" 1
376 1 39 ILE H 1 53 THR H 1.800 . 5.500 4.657 4.321 5.256 . 0 0 "[ . 1 . 2 . ]" 1
377 1 4 ASN HA 1 5 ILE H 1.800 . 3.800 2.185 2.129 2.467 . 0 0 "[ . 1 . 2 . ]" 1
378 1 4 ASN HB3 1 38 HIS HE1 1.800 . 4.800 4.193 3.617 4.802 0.002 21 0 "[ . 1 . 2 . ]" 1
379 1 4 ASN HB3 1 39 ILE H 2.500 2.500 5.500 4.060 3.335 5.033 . 0 0 "[ . 1 . 2 . ]" 1
380 1 4 ASN HB3 1 5 ILE H 1.800 . 4.800 3.448 2.908 4.275 . 0 0 "[ . 1 . 2 . ]" 1
381 1 4 ASN HB2 1 38 HIS HA 1.800 . 4.800 2.519 1.991 3.424 . 0 0 "[ . 1 . 2 . ]" 1
382 1 4 ASN HB2 1 38 HIS HD2 1.800 . 4.800 3.992 2.914 4.806 0.006 23 0 "[ . 1 . 2 . ]" 1
383 1 4 ASN HB2 1 38 HIS HE1 1.800 . 5.500 4.897 4.236 5.510 0.010 8 0 "[ . 1 . 2 . ]" 1
384 1 4 ASN HB2 1 5 ILE H 1.800 . 4.800 4.325 3.883 4.669 . 0 0 "[ . 1 . 2 . ]" 1
385 1 4 ASN H 1 37 PRO QD 1.800 . 5.500 3.367 2.721 4.145 . 0 0 "[ . 1 . 2 . ]" 1
386 1 4 ASN H 1 37 PRO HG3 1.800 . 4.300 4.127 3.757 4.318 0.018 29 0 "[ . 1 . 2 . ]" 1
387 1 4 ASN H 1 37 PRO HG2 1.800 . 5.500 2.373 1.990 2.624 . 0 0 "[ . 1 . 2 . ]" 1
388 1 4 ASN H 1 38 HIS HA 1.800 . 4.800 3.555 3.165 4.081 . 0 0 "[ . 1 . 2 . ]" 1
389 1 4 ASN H 1 39 ILE H 1.800 . 5.500 4.562 3.860 5.012 . 0 0 "[ . 1 . 2 . ]" 1
390 1 4 ASN H 1 5 ILE MD 1.800 . 5.500 4.643 2.957 5.513 0.013 1 0 "[ . 1 . 2 . ]" 1
391 1 4 ASN H 1 5 ILE H 1.800 . 5.500 4.387 3.700 4.612 . 0 0 "[ . 1 . 2 . ]" 1
392 1 40 ILE HA 1 41 LEU H 1.800 . 3.800 2.225 2.147 2.334 . 0 0 "[ . 1 . 2 . ]" 1
393 1 40 ILE HA 1 51 ASP H 3.500 3.500 5.500 4.748 4.398 5.096 . 0 0 "[ . 1 . 2 . ]" 1
394 1 40 ILE HB 1 51 ASP HB3 1.800 . 5.500 2.822 1.996 3.740 . 0 0 "[ . 1 . 2 . ]" 1
395 1 40 ILE HB 1 51 ASP HB2 1.800 . 4.800 2.437 1.922 3.228 . 0 0 "[ . 1 . 2 . ]" 1
396 1 40 ILE HB 1 51 ASP H 1.800 . 4.300 3.057 2.480 3.563 . 0 0 "[ . 1 . 2 . ]" 1
397 1 40 ILE MD 1 51 ASP HB3 1.800 . 5.500 2.946 2.043 4.251 . 0 0 "[ . 1 . 2 . ]" 1
398 1 40 ILE MD 1 51 ASP HB2 1.800 . 5.500 3.462 2.247 4.456 . 0 0 "[ . 1 . 2 . ]" 1
399 1 40 ILE MD 1 52 ALA HA 1.800 . 5.500 4.090 2.581 5.385 . 0 0 "[ . 1 . 2 . ]" 1
400 1 40 ILE HG12 1 51 ASP HB3 1.800 . 5.500 4.962 3.949 5.509 0.009 10 0 "[ . 1 . 2 . ]" 1
401 1 40 ILE HG12 1 51 ASP HB2 1.800 . 5.500 5.033 4.131 5.512 0.012 19 0 "[ . 1 . 2 . ]" 1
402 1 40 ILE MG 1 51 ASP HB3 1.800 . 5.500 3.878 3.160 4.595 . 0 0 "[ . 1 . 2 . ]" 1
403 1 40 ILE MG 1 51 ASP H 1.800 . 4.800 3.673 2.898 4.255 . 0 0 "[ . 1 . 2 . ]" 1
404 1 40 ILE H 1 41 LEU H 1.800 . 5.500 4.031 3.784 4.299 . 0 0 "[ . 1 . 2 . ]" 1
405 1 40 ILE H 1 50 ALA HA 2.500 2.500 5.500 4.809 4.439 5.291 . 0 0 "[ . 1 . 2 . ]" 1
406 1 40 ILE H 1 51 ASP HB3 1.800 . 5.500 4.198 3.463 5.002 . 0 0 "[ . 1 . 2 . ]" 1
407 1 40 ILE H 1 51 ASP HB2 1.800 . 4.800 4.222 3.537 4.808 0.008 23 0 "[ . 1 . 2 . ]" 1
408 1 40 ILE H 1 51 ASP H 1.800 . 4.300 3.586 3.093 3.889 . 0 0 "[ . 1 . 2 . ]" 1
409 1 40 ILE H 1 52 ALA HA 1.800 . 4.800 2.643 2.163 3.232 . 0 0 "[ . 1 . 2 . ]" 1
410 1 40 ILE H 1 52 ALA MB 2.500 2.500 5.500 3.642 3.067 4.499 . 0 0 "[ . 1 . 2 . ]" 1
411 1 40 ILE H 1 53 THR H 2.500 2.500 5.500 4.225 3.682 4.855 . 0 0 "[ . 1 . 2 . ]" 1
412 1 41 LEU HA 1 42 SER H 1.800 . 4.300 2.185 2.161 2.199 . 0 0 "[ . 1 . 2 . ]" 1
413 1 41 LEU HA 1 49 VAL H 1.800 . 5.500 4.573 4.000 5.383 . 0 0 "[ . 1 . 2 . ]" 1
414 1 41 LEU HA 1 50 ALA HA 1.800 . 3.300 2.344 1.948 3.081 . 0 0 "[ . 1 . 2 . ]" 1
415 1 41 LEU HA 1 50 ALA MB 1.800 . 4.800 3.599 2.676 4.357 . 0 0 "[ . 1 . 2 . ]" 1
416 1 41 LEU HA 1 50 ALA H 3.500 3.500 5.500 4.638 4.284 5.128 . 0 0 "[ . 1 . 2 . ]" 1
417 1 41 LEU HA 1 51 ASP H 1.800 . 4.800 3.320 2.655 3.755 . 0 0 "[ . 1 . 2 . ]" 1
418 1 41 LEU HB3 1 50 ALA HA 3.500 3.500 5.500 4.867 4.165 5.534 0.034 6 0 "[ . 1 . 2 . ]" 1
419 1 41 LEU HB2 1 42 SER H 1.800 . 5.500 4.390 4.202 4.450 . 0 0 "[ . 1 . 2 . ]" 1
420 1 41 LEU HB2 1 50 ALA HA 1.800 . 4.800 3.519 2.703 4.071 . 0 0 "[ . 1 . 2 . ]" 1
421 1 41 LEU MD1 1 42 SER H 1.800 . 4.800 4.371 3.912 4.733 . 0 0 "[ . 1 . 2 . ]" 1
422 1 41 LEU MD1 1 50 ALA HA 1.800 . 3.800 3.573 2.932 3.838 0.038 6 0 "[ . 1 . 2 . ]" 1
423 1 41 LEU MD2 1 42 SER H 1.800 . 5.500 4.469 4.080 4.876 . 0 0 "[ . 1 . 2 . ]" 1
424 1 41 LEU MD2 1 48 PHE HE2 1.800 . 4.800 4.212 2.213 4.834 0.034 29 0 "[ . 1 . 2 . ]" 1
425 1 41 LEU HG 1 42 SER HA 1.800 . 4.300 4.040 3.835 4.312 0.012 19 0 "[ . 1 . 2 . ]" 1
426 1 41 LEU HG 1 42 SER H 1.800 . 5.500 3.414 3.270 3.552 . 0 0 "[ . 1 . 2 . ]" 1
427 1 41 LEU H 1 42 SER H 2.500 2.500 5.500 4.134 4.073 4.199 . 0 0 "[ . 1 . 2 . ]" 1
428 1 41 LEU H 1 51 ASP H 3.500 3.500 5.500 4.768 4.391 5.178 . 0 0 "[ . 1 . 2 . ]" 1
429 1 42 SER HA 1 43 LYS H 1.800 . 4.300 2.349 2.159 2.485 . 0 0 "[ . 1 . 2 . ]" 1
430 1 42 SER HB3 1 43 LYS H 1.800 . 4.800 2.634 2.276 3.235 . 0 0 "[ . 1 . 2 . ]" 1
431 1 42 SER HB3 1 44 GLU H 1.800 . 5.500 5.287 4.819 5.509 0.009 25 0 "[ . 1 . 2 . ]" 1
432 1 42 SER HB3 1 49 VAL HB 1.800 . 4.300 3.978 3.549 4.321 0.021 22 0 "[ . 1 . 2 . ]" 1
433 1 42 SER HB3 1 49 VAL MG1 1.800 . 5.500 4.944 4.510 5.370 . 0 0 "[ . 1 . 2 . ]" 1
434 1 42 SER HB3 1 49 VAL MG2 1.800 . 5.500 4.156 3.038 5.156 . 0 0 "[ . 1 . 2 . ]" 1
435 1 42 SER HB2 1 43 LYS H 1.800 . 4.800 3.676 3.168 4.169 . 0 0 "[ . 1 . 2 . ]" 1
436 1 42 SER HB2 1 44 GLU H 1.800 . 5.500 5.095 4.417 5.513 0.013 7 0 "[ . 1 . 2 . ]" 1
437 1 42 SER HB2 1 49 VAL HB 1.800 . 4.300 2.385 1.949 2.740 . 0 0 "[ . 1 . 2 . ]" 1
438 1 42 SER H 1 43 LYS H 2.500 2.500 5.500 4.497 4.425 4.533 . 0 0 "[ . 1 . 2 . ]" 1
439 1 42 SER H 1 48 PHE HA 3.500 3.500 5.500 5.196 4.918 5.503 0.003 1 0 "[ . 1 . 2 . ]" 1
440 1 42 SER H 1 48 PHE HB3 3.500 3.500 5.500 5.157 4.460 5.567 0.067 22 0 "[ . 1 . 2 . ]" 1
441 1 42 SER H 1 48 PHE QD 3.500 3.500 5.500 4.803 3.452 5.540 0.048 22 0 "[ . 1 . 2 . ]" 1
442 1 42 SER H 1 49 VAL HB 2.500 2.500 5.500 2.942 2.472 3.813 0.028 6 0 "[ . 1 . 2 . ]" 1
443 1 42 SER H 1 49 VAL MG1 1.800 . 4.800 3.929 3.551 4.512 . 0 0 "[ . 1 . 2 . ]" 1
444 1 42 SER H 1 49 VAL H 1.800 . 4.800 3.274 2.875 3.838 . 0 0 "[ . 1 . 2 . ]" 1
445 1 42 SER H 1 50 ALA HA 1.800 . 5.500 3.609 2.695 4.298 . 0 0 "[ . 1 . 2 . ]" 1
446 1 42 SER H 1 50 ALA MB 1.800 . 5.500 4.753 3.813 5.323 . 0 0 "[ . 1 . 2 . ]" 1
447 1 42 SER H 1 50 ALA H 3.500 3.500 5.500 4.816 4.433 5.215 . 0 0 "[ . 1 . 2 . ]" 1
448 1 42 SER H 1 51 ASP H 3.500 3.500 5.500 4.030 3.693 4.509 . 0 0 "[ . 1 . 2 . ]" 1
449 1 43 LYS HA 1 44 GLU H 1.800 . 3.800 2.158 2.132 2.239 . 0 0 "[ . 1 . 2 . ]" 1
450 1 43 LYS HA 1 48 PHE HA 1.800 . 2.700 2.577 2.313 2.715 0.015 21 0 "[ . 1 . 2 . ]" 1
451 1 43 LYS HA 1 48 PHE QD 1.800 . 4.800 2.315 1.801 3.602 . 0 0 "[ . 1 . 2 . ]" 1
452 1 43 LYS HA 1 48 PHE H 3.500 3.500 5.500 5.202 4.921 5.458 . 0 0 "[ . 1 . 2 . ]" 1
453 1 43 LYS HA 1 49 VAL H 1.800 . 4.800 3.357 3.044 3.619 . 0 0 "[ . 1 . 2 . ]" 1
454 1 43 LYS H 1 43 LYS HB3 1.800 . 3.800 2.696 2.391 3.263 . 0 0 "[ . 1 . 2 . ]" 1
455 1 43 LYS HB3 1 44 GLU H 1.800 . 4.800 4.261 3.870 4.495 . 0 0 "[ . 1 . 2 . ]" 1
456 1 43 LYS H 1 43 LYS HB2 2.500 2.500 5.500 2.670 2.416 3.111 0.084 9 0 "[ . 1 . 2 . ]" 1
457 1 43 LYS HB2 1 44 GLU H 1.800 . 5.500 4.478 4.261 4.609 . 0 0 "[ . 1 . 2 . ]" 1
458 1 43 LYS HB2 1 48 PHE HZ 1.800 . 5.500 4.223 3.214 5.422 . 0 0 "[ . 1 . 2 . ]" 1
459 1 43 LYS QE 1 44 GLU H 1.800 . 5.500 4.623 3.136 5.528 0.028 21 0 "[ . 1 . 2 . ]" 1
460 1 43 LYS QG 1 48 PHE HE1 1.800 . 4.800 2.505 1.719 4.148 0.081 19 0 "[ . 1 . 2 . ]" 1
461 1 43 LYS HG3 1 44 GLU H 1.800 . 5.500 4.599 3.370 5.048 . 0 0 "[ . 1 . 2 . ]" 1
462 1 43 LYS HG3 1 48 PHE QD 1.800 . 4.800 3.805 2.836 4.644 . 0 0 "[ . 1 . 2 . ]" 1
463 1 43 LYS HG3 1 48 PHE QE 1.800 . 5.500 2.565 1.823 4.081 . 0 0 "[ . 1 . 2 . ]" 1
464 1 43 LYS HG3 1 48 PHE HZ 1.800 . 5.500 3.838 3.072 4.929 . 0 0 "[ . 1 . 2 . ]" 1
465 1 43 LYS HG2 1 44 GLU H 1.800 . 4.300 3.273 2.861 4.093 . 0 0 "[ . 1 . 2 . ]" 1
466 1 43 LYS HG2 1 48 PHE HZ 1.800 . 5.500 4.864 3.486 5.521 0.021 18 0 "[ . 1 . 2 . ]" 1
467 1 43 LYS H 1 48 PHE QD 2.500 2.500 5.500 4.605 3.794 5.557 0.057 19 0 "[ . 1 . 2 . ]" 1
468 1 43 LYS H 1 49 VAL H 2.500 2.500 5.500 4.743 4.517 4.937 . 0 0 "[ . 1 . 2 . ]" 1
469 1 44 GLU HA 1 45 PRO HD3 1.800 . 3.300 2.520 2.105 2.639 . 0 0 "[ . 1 . 2 . ]" 1
470 1 44 GLU HA 1 45 PRO HD2 1.800 . 3.300 2.088 1.961 2.525 . 0 0 "[ . 1 . 2 . ]" 1
471 1 44 GLU HB3 1 45 PRO HD2 1.800 . 4.800 3.268 2.733 4.193 . 0 0 "[ . 1 . 2 . ]" 1
472 1 44 GLU HB3 1 46 GLN H 1.800 . 4.300 3.209 2.782 4.305 0.005 28 0 "[ . 1 . 2 . ]" 1
473 1 44 GLU HB2 1 45 PRO HD2 1.800 . 4.800 3.809 2.822 4.242 . 0 0 "[ . 1 . 2 . ]" 1
474 1 44 GLU HB2 1 46 GLN H 1.800 . 5.500 4.615 4.370 4.829 . 0 0 "[ . 1 . 2 . ]" 1
475 1 44 GLU QG 1 49 VAL MG2 1.800 . 3.800 2.290 1.787 3.430 0.013 11 0 "[ . 1 . 2 . ]" 1
476 1 44 GLU H 1 46 GLN H 3.000 3.000 5.500 5.330 5.156 5.532 0.032 18 0 "[ . 1 . 2 . ]" 1
477 1 44 GLU H 1 47 GLY HA3 1.800 . 5.500 5.132 4.884 5.282 . 0 0 "[ . 1 . 2 . ]" 1
478 1 44 GLU H 1 47 GLY H 1.800 . 5.500 4.307 3.860 4.658 . 0 0 "[ . 1 . 2 . ]" 1
479 1 44 GLU H 1 48 PHE HA 1.800 . 4.300 2.422 2.247 2.685 . 0 0 "[ . 1 . 2 . ]" 1
480 1 44 GLU H 1 48 PHE QD 1.800 . 5.500 3.327 2.460 4.547 . 0 0 "[ . 1 . 2 . ]" 1
481 1 44 GLU H 1 48 PHE QE 2.500 2.500 5.500 4.840 4.123 5.519 0.019 9 0 "[ . 1 . 2 . ]" 1
482 1 44 GLU H 1 49 VAL MG2 1.800 . 4.800 2.970 2.350 3.434 . 0 0 "[ . 1 . 2 . ]" 1
483 1 44 GLU H 1 49 VAL H 2.500 2.500 5.500 3.275 2.486 3.593 0.014 15 0 "[ . 1 . 2 . ]" 1
484 1 45 PRO HA 1 46 GLN HE21 1.800 . 5.500 5.349 4.939 5.506 0.006 21 0 "[ . 1 . 2 . ]" 1
485 1 45 PRO HA 1 46 GLN H 1.800 . 5.500 3.562 3.549 3.571 . 0 0 "[ . 1 . 2 . ]" 1
486 1 45 PRO HB3 1 46 GLN HB2 1.800 . 4.800 4.850 4.813 4.878 0.078 14 0 "[ . 1 . 2 . ]" 1
487 1 45 PRO HB3 1 46 GLN H 1.800 . 4.800 3.793 3.698 3.853 . 0 0 "[ . 1 . 2 . ]" 1
488 1 45 PRO HB2 1 46 GLN HB2 1.800 . 3.800 3.188 3.127 3.386 . 0 0 "[ . 1 . 2 . ]" 1
489 1 45 PRO HB2 1 46 GLN HE21 1.800 . 4.800 3.545 2.852 4.151 . 0 0 "[ . 1 . 2 . ]" 1
490 1 45 PRO HB2 1 47 GLY H 1.800 . 5.500 4.922 4.666 5.047 . 0 0 "[ . 1 . 2 . ]" 1
491 1 45 PRO HD3 1 46 GLN H 1.800 . 4.800 4.388 4.286 4.466 . 0 0 "[ . 1 . 2 . ]" 1
492 1 46 GLN HA 1 47 GLY H 1.800 . 4.300 2.786 2.663 3.037 . 0 0 "[ . 1 . 2 . ]" 1
493 1 46 GLN HB3 1 47 GLY H 1.800 . 4.800 4.243 4.025 4.318 . 0 0 "[ . 1 . 2 . ]" 1
494 1 46 GLN HB2 1 46 GLN HE21 1.800 . 4.300 2.204 1.969 2.860 . 0 0 "[ . 1 . 2 . ]" 1
495 1 46 GLN HE21 1 47 GLY H 3.500 3.500 5.500 5.270 4.673 5.509 0.009 17 0 "[ . 1 . 2 . ]" 1
496 1 46 GLN HB2 1 46 GLN HE22 1.800 . 4.800 3.433 3.209 3.618 . 0 0 "[ . 1 . 2 . ]" 1
497 1 46 GLN H 1 46 GLN HB2 1.800 . 4.300 2.427 2.324 2.540 . 0 0 "[ . 1 . 2 . ]" 1
498 1 46 GLN H 1 46 GLN HE21 2.500 2.500 5.500 3.826 3.421 4.280 . 0 0 "[ . 1 . 2 . ]" 1
499 1 46 GLN H 1 47 GLY HA3 1.800 . 5.500 5.014 4.860 5.116 . 0 0 "[ . 1 . 2 . ]" 1
500 1 46 GLN H 1 47 GLY H 1.800 . 4.800 3.161 2.752 3.352 . 0 0 "[ . 1 . 2 . ]" 1
501 1 47 GLY HA3 1 48 PHE H 1.800 . 4.800 2.660 2.506 2.814 . 0 0 "[ . 1 . 2 . ]" 1
502 1 47 GLY HA3 1 67 HIS HA 1.800 . 4.800 3.816 2.863 4.475 . 0 0 "[ . 1 . 2 . ]" 1
503 1 47 GLY HA3 1 67 HIS H 1.800 . 4.800 3.502 2.733 4.180 . 0 0 "[ . 1 . 2 . ]" 1
504 1 47 GLY HA3 1 68 GLU HA 1.800 . 3.800 3.087 2.287 3.554 . 0 0 "[ . 1 . 2 . ]" 1
505 1 47 GLY HA2 1 48 PHE H 1.800 . 3.800 2.413 2.277 2.577 . 0 0 "[ . 1 . 2 . ]" 1
506 1 47 GLY HA2 1 67 HIS H 3.000 3.000 5.500 4.329 3.802 4.745 . 0 0 "[ . 1 . 2 . ]" 1
507 1 47 GLY HA2 1 68 GLU HA 1.800 . 3.800 1.917 1.783 2.239 0.017 7 0 "[ . 1 . 2 . ]" 1
508 1 47 GLY H 1 48 PHE H 1.800 . 5.500 4.374 4.245 4.476 . 0 0 "[ . 1 . 2 . ]" 1
509 1 48 PHE HA 1 49 VAL H 1.800 . 3.800 2.235 2.167 2.326 . 0 0 "[ . 1 . 2 . ]" 1
510 1 48 PHE HA 1 67 HIS H 3.500 3.500 5.500 4.571 4.320 4.810 . 0 0 "[ . 1 . 2 . ]" 1
511 1 48 PHE QB 1 73 ALA HA 1.800 . 5.500 4.450 4.064 4.912 . 0 0 "[ . 1 . 2 . ]" 1
512 1 48 PHE QB 1 73 ALA MB 1.800 . 4.300 2.274 1.806 2.626 . 0 0 "[ . 1 . 2 . ]" 1
513 1 48 PHE HB3 1 49 VAL H 1.800 . 4.300 3.106 2.577 3.820 . 0 0 "[ . 1 . 2 . ]" 1
514 1 48 PHE HB3 1 70 MET HA 1.800 . 4.800 4.155 3.297 4.796 . 0 0 "[ . 1 . 2 . ]" 1
515 1 48 PHE HB2 1 49 VAL H 1.800 . 5.500 4.229 3.870 4.585 . 0 0 "[ . 1 . 2 . ]" 1
516 1 48 PHE HB2 1 70 MET HA 1.800 . 4.300 3.567 2.638 4.151 . 0 0 "[ . 1 . 2 . ]" 1
517 1 48 PHE QD 1 49 VAL H 1.800 . 5.500 3.162 1.958 4.040 . 0 0 "[ . 1 . 2 . ]" 1
518 1 48 PHE QD 1 70 MET HA 1.800 . 4.800 2.127 1.865 2.764 . 0 0 "[ . 1 . 2 . ]" 1
519 1 48 PHE QD 1 70 MET HB3 1.800 . 4.800 3.964 2.882 4.807 0.007 16 0 "[ . 1 . 2 . ]" 1
520 1 48 PHE QD 1 70 MET HB2 1.800 . 4.300 3.382 2.521 3.768 . 0 0 "[ . 1 . 2 . ]" 1
521 1 48 PHE QD 1 70 MET H 3.500 3.500 5.500 4.024 3.448 4.773 0.052 20 0 "[ . 1 . 2 . ]" 1
522 1 48 PHE QD 1 71 TYR H 3.000 3.000 5.500 5.374 5.137 5.541 0.041 19 0 "[ . 1 . 2 . ]" 1
523 1 48 PHE QD 1 73 ALA MB 1.800 . 3.800 2.980 2.607 3.446 . 0 0 "[ . 1 . 2 . ]" 1
524 1 48 PHE QD 1 74 ILE MD 1.800 . 4.800 4.268 3.213 4.834 0.034 2 0 "[ . 1 . 2 . ]" 1
525 1 48 PHE QE 1 70 MET HA 1.800 . 5.500 3.034 2.295 3.693 . 0 0 "[ . 1 . 2 . ]" 1
526 1 48 PHE QE 1 70 MET HB3 1.800 . 4.300 2.999 1.927 4.155 . 0 0 "[ . 1 . 2 . ]" 1
527 1 48 PHE QE 1 70 MET HB2 1.800 . 4.800 2.383 1.850 3.392 . 0 0 "[ . 1 . 2 . ]" 1
528 1 48 PHE QE 1 70 MET ME 1.800 . 4.800 3.610 1.939 4.586 . 0 0 "[ . 1 . 2 . ]" 1
529 1 48 PHE QE 1 71 TYR H 1.800 . 5.500 5.449 4.997 5.600 0.100 5 0 "[ . 1 . 2 . ]" 1
530 1 48 PHE QE 1 73 ALA MB 1.800 . 4.800 4.660 4.347 4.835 0.035 8 0 "[ . 1 . 2 . ]" 1
531 1 48 PHE QE 1 74 ILE MD 1.800 . 5.500 4.821 3.856 5.550 0.050 26 0 "[ . 1 . 2 . ]" 1
532 1 48 PHE H 1 48 PHE HB3 1.800 . 3.800 3.386 3.149 3.562 . 0 0 "[ . 1 . 2 . ]" 1
533 1 48 PHE H 1 49 VAL H 2.500 2.500 5.500 4.577 4.414 4.613 . 0 0 "[ . 1 . 2 . ]" 1
534 1 48 PHE H 1 66 LYS HA 1.800 . 4.800 4.354 3.963 4.563 . 0 0 "[ . 1 . 2 . ]" 1
535 1 48 PHE H 1 67 HIS H 1.800 . 3.800 2.624 2.205 2.959 . 0 0 "[ . 1 . 2 . ]" 1
536 1 48 PHE H 1 68 GLU HA 1.800 . 4.800 3.044 2.624 3.687 . 0 0 "[ . 1 . 2 . ]" 1
537 1 48 PHE H 1 68 GLU H 1.800 . 5.500 4.201 3.512 4.906 . 0 0 "[ . 1 . 2 . ]" 1
538 1 48 PHE H 1 69 ASP H 3.000 3.000 5.500 4.832 2.989 5.151 0.011 22 0 "[ . 1 . 2 . ]" 1
539 1 48 PHE HZ 1 70 MET HB3 2.500 2.500 5.500 4.675 3.249 5.532 0.032 29 0 "[ . 1 . 2 . ]" 1
540 1 48 PHE HZ 1 70 MET HB2 2.500 2.500 5.500 4.026 2.748 5.387 . 0 0 "[ . 1 . 2 . ]" 1
541 1 48 PHE HZ 1 70 MET ME 1.800 . 5.500 4.424 2.463 5.508 0.008 2 0 "[ . 1 . 2 . ]" 1
542 1 49 VAL HA 1 66 LYS HA 1.800 . 4.800 3.137 2.897 3.345 . 0 0 "[ . 1 . 2 . ]" 1
543 1 49 VAL HB 1 50 ALA H 1.800 . 5.500 4.405 4.234 4.499 . 0 0 "[ . 1 . 2 . ]" 1
544 1 49 VAL MG1 1 50 ALA H 1.800 . 3.800 3.455 3.011 3.778 . 0 0 "[ . 1 . 2 . ]" 1
545 1 49 VAL MG1 1 66 LYS HA 1.800 . 4.800 4.607 4.109 4.801 0.001 13 0 "[ . 1 . 2 . ]" 1
546 1 49 VAL MG2 1 50 ALA H 1.800 . 4.300 4.310 4.215 4.409 0.109 25 0 "[ . 1 . 2 . ]" 1
547 1 49 VAL MG2 1 66 LYS HA 1.800 . 4.800 4.316 3.864 4.734 . 0 0 "[ . 1 . 2 . ]" 1
548 1 49 VAL H 1 50 ALA H 1.800 . 5.500 3.886 3.585 4.200 . 0 0 "[ . 1 . 2 . ]" 1
549 1 49 VAL H 1 66 LYS HA 1.800 . 5.500 5.038 4.788 5.163 . 0 0 "[ . 1 . 2 . ]" 1
550 1 5 ILE HA 1 38 HIS HD2 1.800 . 4.300 3.630 2.809 4.296 . 0 0 "[ . 1 . 2 . ]" 1
551 1 5 ILE HA 1 39 ILE HA 1.800 . 4.800 4.424 3.954 4.694 . 0 0 "[ . 1 . 2 . ]" 1
552 1 5 ILE HA 1 39 ILE HB 1.800 . 2.700 2.572 1.708 2.719 0.092 17 0 "[ . 1 . 2 . ]" 1
553 1 5 ILE HA 1 39 ILE MG 1.800 . 4.800 3.813 3.152 4.147 . 0 0 "[ . 1 . 2 . ]" 1
554 1 5 ILE HA 1 39 ILE H 1.800 . 4.300 2.402 1.976 2.777 . 0 0 "[ . 1 . 2 . ]" 1
555 1 5 ILE HA 1 6 THR H 1.800 . 4.300 2.185 2.136 2.316 . 0 0 "[ . 1 . 2 . ]" 1
556 1 5 ILE HB 1 6 THR H 1.800 . 5.500 4.018 3.411 4.373 . 0 0 "[ . 1 . 2 . ]" 1
557 1 5 ILE HB 1 7 SER H 1.800 . 5.500 4.902 3.932 5.524 0.024 26 0 "[ . 1 . 2 . ]" 1
558 1 5 ILE HG12 1 39 ILE HB 1.800 . 4.300 2.925 1.940 4.517 0.217 17 0 "[ . 1 . 2 . ]" 1
559 1 5 ILE MG 1 12 ILE MD 1.800 . 5.500 2.237 1.785 4.225 0.015 22 0 "[ . 1 . 2 . ]" 1
560 1 5 ILE MG 1 12 ILE MG 1.800 . 4.300 2.907 1.940 4.162 . 0 0 "[ . 1 . 2 . ]" 1
561 1 5 ILE MG 1 20 VAL MG1 1.800 . 4.800 4.149 2.877 4.810 0.010 5 0 "[ . 1 . 2 . ]" 1
562 1 5 ILE MG 1 39 ILE H 1.800 . 4.800 3.830 2.560 4.492 . 0 0 "[ . 1 . 2 . ]" 1
563 1 5 ILE MG 1 6 THR H 1.800 . 4.800 2.754 1.942 4.251 . 0 0 "[ . 1 . 2 . ]" 1
564 1 5 ILE H 1 39 ILE H 1.800 . 4.800 4.436 4.099 4.667 . 0 0 "[ . 1 . 2 . ]" 1
565 1 5 ILE H 1 5 ILE MD 1.800 . 4.800 3.348 1.949 4.377 . 0 0 "[ . 1 . 2 . ]" 1
566 1 5 ILE H 1 5 ILE MG 1.800 . 4.800 3.840 2.717 4.003 . 0 0 "[ . 1 . 2 . ]" 1
567 1 5 ILE H 1 6 THR H 2.500 2.500 5.500 4.240 3.604 4.516 . 0 0 "[ . 1 . 2 . ]" 1
568 1 50 ALA HA 1 51 ASP H 1.800 . 2.700 2.255 2.147 2.407 . 0 0 "[ . 1 . 2 . ]" 1
569 1 50 ALA MB 1 65 GLY H 1.800 . 4.800 2.540 1.999 3.494 . 0 0 "[ . 1 . 2 . ]" 1
570 1 50 ALA MB 1 77 LEU HA 3.500 3.500 5.500 4.574 3.869 5.338 . 0 0 "[ . 1 . 2 . ]" 1
571 1 50 ALA MB 1 77 LEU HB3 1.800 . 5.500 3.379 2.221 4.548 . 0 0 "[ . 1 . 2 . ]" 1
572 1 50 ALA MB 1 77 LEU HB2 1.800 . 5.500 3.018 2.247 3.915 . 0 0 "[ . 1 . 2 . ]" 1
573 1 50 ALA MB 1 77 LEU MD2 1.800 . 4.800 3.404 1.782 4.805 0.018 14 0 "[ . 1 . 2 . ]" 1
574 1 50 ALA H 1 51 ASP H 1.800 . 5.500 4.074 3.654 4.282 . 0 0 "[ . 1 . 2 . ]" 1
575 1 50 ALA H 1 65 GLY HA3 1.800 . 5.500 3.955 3.194 4.901 . 0 0 "[ . 1 . 2 . ]" 1
576 1 50 ALA H 1 65 GLY H 1.800 . 4.300 3.261 2.898 3.934 . 0 0 "[ . 1 . 2 . ]" 1
577 1 50 ALA H 1 66 LYS HA 1.800 . 4.300 3.334 2.741 3.745 . 0 0 "[ . 1 . 2 . ]" 1
578 1 50 ALA H 1 66 LYS H 3.000 3.000 5.500 4.752 4.350 5.137 . 0 0 "[ . 1 . 2 . ]" 1
579 1 50 ALA H 1 67 HIS H 2.500 2.500 5.500 4.725 4.462 4.987 . 0 0 "[ . 1 . 2 . ]" 1
580 1 50 ALA H 1 73 ALA MB 1.800 . 5.500 3.677 2.965 4.440 . 0 0 "[ . 1 . 2 . ]" 1
581 1 51 ASP HA 1 52 ALA H 1.800 . 4.800 2.251 2.160 2.365 . 0 0 "[ . 1 . 2 . ]" 1
582 1 51 ASP HA 1 63 ALA MB 2.500 2.500 5.500 4.673 4.157 5.314 . 0 0 "[ . 1 . 2 . ]" 1
583 1 51 ASP HA 1 63 ALA H 1.800 . 5.500 5.005 4.467 5.497 . 0 0 "[ . 1 . 2 . ]" 1
584 1 51 ASP HA 1 64 SER HA 1.800 . 3.300 2.597 2.007 3.075 . 0 0 "[ . 1 . 2 . ]" 1
585 1 51 ASP HA 1 64 SER QB 1.800 . 4.300 3.844 3.166 4.307 0.007 8 0 "[ . 1 . 2 . ]" 1
586 1 51 ASP HA 1 64 SER H 3.500 3.500 5.500 4.939 4.360 5.508 0.008 20 0 "[ . 1 . 2 . ]" 1
587 1 51 ASP HA 1 65 GLY H 1.800 . 4.300 3.696 3.190 4.151 . 0 0 "[ . 1 . 2 . ]" 1
588 1 51 ASP HB3 1 52 ALA H 1.800 . 4.800 4.076 3.727 4.285 . 0 0 "[ . 1 . 2 . ]" 1
589 1 51 ASP HB2 1 52 ALA H 1.800 . 5.500 4.600 4.414 4.670 . 0 0 "[ . 1 . 2 . ]" 1
590 1 51 ASP H 1 51 ASP HB2 1.800 . 3.800 2.343 2.168 2.692 . 0 0 "[ . 1 . 2 . ]" 1
591 1 51 ASP H 1 52 ALA H 1.800 . 5.500 3.990 3.808 4.200 . 0 0 "[ . 1 . 2 . ]" 1
592 1 51 ASP H 1 64 SER HA 3.500 3.500 5.500 4.860 4.188 5.264 . 0 0 "[ . 1 . 2 . ]" 1
593 1 51 ASP H 1 65 GLY H 1.800 . 5.500 4.701 4.230 5.104 . 0 0 "[ . 1 . 2 . ]" 1
594 1 52 ALA HA 1 53 THR H 1.800 . 3.800 2.228 2.140 2.521 . 0 0 "[ . 1 . 2 . ]" 1
595 1 52 ALA MB 1 53 THR H 1.800 . 4.800 3.085 2.336 3.547 . 0 0 "[ . 1 . 2 . ]" 1
596 1 52 ALA MB 1 63 ALA MB 1.800 . 5.500 1.978 1.777 3.130 0.023 8 0 "[ . 1 . 2 . ]" 1
597 1 52 ALA MB 1 63 ALA H 1.800 . 4.800 3.011 2.217 3.990 . 0 0 "[ . 1 . 2 . ]" 1
598 1 52 ALA MB 1 77 LEU MD1 1.800 . 4.800 2.298 1.789 3.780 0.011 3 0 "[ . 1 . 2 . ]" 1
599 1 52 ALA H 1 53 THR H 1.800 . 5.500 4.379 4.055 4.603 . 0 0 "[ . 1 . 2 . ]" 1
600 1 52 ALA H 1 62 VAL HA 1.800 . 5.500 4.913 4.369 5.343 . 0 0 "[ . 1 . 2 . ]" 1
601 1 52 ALA H 1 63 ALA H 1.800 . 4.800 3.472 2.931 3.862 . 0 0 "[ . 1 . 2 . ]" 1
602 1 52 ALA H 1 64 SER HA 1.800 . 4.800 3.429 2.800 3.726 . 0 0 "[ . 1 . 2 . ]" 1
603 1 52 ALA H 1 64 SER HB3 3.500 3.500 5.500 5.365 4.740 5.519 0.019 6 0 "[ . 1 . 2 . ]" 1
604 1 52 ALA H 1 65 GLY H 1.800 . 5.500 4.360 3.677 4.885 . 0 0 "[ . 1 . 2 . ]" 1
605 1 52 ALA H 1 77 LEU MD1 1.800 . 5.500 3.293 1.955 5.404 . 0 0 "[ . 1 . 2 . ]" 1
606 1 53 THR HA 1 54 ILE HG13 1.800 . 5.500 3.889 3.467 5.478 . 0 0 "[ . 1 . 2 . ]" 1
607 1 53 THR HA 1 54 ILE H 1.800 . 3.800 2.166 2.135 2.198 . 0 0 "[ . 1 . 2 . ]" 1
608 1 53 THR HA 1 60 VAL MG1 1.800 . 5.500 3.410 2.690 4.442 . 0 0 "[ . 1 . 2 . ]" 1
609 1 53 THR HA 1 61 LEU H 1.800 . 5.500 4.835 3.989 5.509 0.009 20 0 "[ . 1 . 2 . ]" 1
610 1 53 THR HA 1 62 VAL HA 1.800 . 2.700 2.284 1.951 2.723 0.023 4 0 "[ . 1 . 2 . ]" 1
611 1 53 THR HA 1 62 VAL H 3.500 3.500 5.500 4.634 4.137 5.168 . 0 0 "[ . 1 . 2 . ]" 1
612 1 53 THR HA 1 63 ALA H 1.800 . 4.800 3.195 2.592 3.699 . 0 0 "[ . 1 . 2 . ]" 1
613 1 53 THR HB 1 54 ILE H 1.800 . 4.800 4.127 3.502 4.452 . 0 0 "[ . 1 . 2 . ]" 1
614 1 53 THR HB 1 60 VAL MG1 1.800 . 5.500 3.587 1.861 5.501 0.001 29 0 "[ . 1 . 2 . ]" 1
615 1 53 THR MG 1 54 ILE H 1.800 . 4.300 3.595 2.717 4.307 0.007 23 0 "[ . 1 . 2 . ]" 1
616 1 53 THR MG 1 62 VAL HA 1.800 . 5.500 3.240 2.277 4.992 . 0 0 "[ . 1 . 2 . ]" 1
617 1 53 THR H 1 54 ILE MD 2.500 2.500 5.500 5.227 3.980 5.540 0.040 7 0 "[ . 1 . 2 . ]" 1
618 1 53 THR H 1 54 ILE H 1.800 . 5.500 4.069 3.615 4.452 . 0 0 "[ . 1 . 2 . ]" 1
619 1 53 THR H 1 62 VAL MG2 1.800 . 5.500 5.200 4.053 5.537 0.037 18 0 "[ . 1 . 2 . ]" 1
620 1 54 ILE HA 1 55 ASN QB 3.500 3.500 5.500 4.019 3.958 4.078 . 0 0 "[ . 1 . 2 . ]" 1
621 1 54 ILE HA 1 55 ASN H 1.800 . 3.300 2.180 2.120 2.234 . 0 0 "[ . 1 . 2 . ]" 1
622 1 54 ILE HA 1 61 LEU H 3.500 3.500 5.500 4.800 4.529 5.259 . 0 0 "[ . 1 . 2 . ]" 1
623 1 54 ILE HB 1 54 ILE HG13 1.800 . 3.000 2.435 2.280 2.733 . 0 0 "[ . 1 . 2 . ]" 1
624 1 54 ILE HB 1 55 ASN H 1.800 . 5.500 3.698 3.013 4.121 . 0 0 "[ . 1 . 2 . ]" 1
625 1 54 ILE HB 1 56 THR H 1.800 . 4.800 4.287 3.551 4.687 . 0 0 "[ . 1 . 2 . ]" 1
626 1 54 ILE HB 1 60 VAL HA 1.800 . 4.800 4.771 4.537 4.842 0.042 9 0 "[ . 1 . 2 . ]" 1
627 1 54 ILE HB 1 61 LEU H 1.800 . 3.800 3.409 2.775 3.833 0.033 2 0 "[ . 1 . 2 . ]" 1
628 1 54 ILE HA 1 54 ILE MD 3.500 3.500 5.500 3.874 3.422 4.054 0.078 2 0 "[ . 1 . 2 . ]" 1
629 1 54 ILE H 1 54 ILE MD 1.800 . 5.500 3.530 2.068 3.964 . 0 0 "[ . 1 . 2 . ]" 1
630 1 54 ILE MD 1 81 LEU MD1 1.800 . 4.300 2.299 1.776 3.658 0.024 28 0 "[ . 1 . 2 . ]" 1
631 1 54 ILE HG13 1 55 ASN H 1.800 . 5.500 5.198 4.842 5.515 0.015 2 0 "[ . 1 . 2 . ]" 1
632 1 54 ILE HG13 1 61 LEU H 1.800 . 4.800 4.256 3.289 4.813 0.013 5 0 "[ . 1 . 2 . ]" 1
633 1 54 ILE HG12 1 55 ASN H 1.800 . 5.500 4.825 4.502 5.216 . 0 0 "[ . 1 . 2 . ]" 1
634 1 54 ILE H 1 54 ILE MG 1.800 . 4.800 3.752 3.041 3.900 . 0 0 "[ . 1 . 2 . ]" 1
635 1 54 ILE MG 1 55 ASN H 1.800 . 4.300 2.577 1.947 3.671 . 0 0 "[ . 1 . 2 . ]" 1
636 1 54 ILE MG 1 56 THR MG 1.800 . 5.500 3.364 2.047 4.781 . 0 0 "[ . 1 . 2 . ]" 1
637 1 54 ILE H 1 54 ILE HG13 1.800 . 4.300 2.262 1.943 3.525 . 0 0 "[ . 1 . 2 . ]" 1
638 1 54 ILE H 1 54 ILE HG12 1.800 . 4.300 2.889 1.854 3.937 . 0 0 "[ . 1 . 2 . ]" 1
639 1 54 ILE H 1 55 ASN H 1.800 . 5.500 4.469 4.292 4.547 . 0 0 "[ . 1 . 2 . ]" 1
640 1 54 ILE H 1 60 VAL HA 1.800 . 5.500 4.663 4.060 4.979 . 0 0 "[ . 1 . 2 . ]" 1
641 1 54 ILE H 1 60 VAL MG1 1.800 . 4.800 3.239 2.480 4.295 . 0 0 "[ . 1 . 2 . ]" 1
642 1 54 ILE H 1 61 LEU HB3 1.800 . 4.800 4.265 3.262 4.821 0.021 22 0 "[ . 1 . 2 . ]" 1
643 1 54 ILE H 1 61 LEU H 1.800 . 5.500 3.340 2.812 4.004 . 0 0 "[ . 1 . 2 . ]" 1
644 1 54 ILE H 1 62 VAL HA 1.800 . 5.500 3.495 2.629 3.966 . 0 0 "[ . 1 . 2 . ]" 1
645 1 54 ILE H 1 62 VAL MG2 2.500 2.500 5.500 4.616 3.594 5.377 . 0 0 "[ . 1 . 2 . ]" 1
646 1 54 ILE H 1 62 VAL H 1.800 . 5.500 4.813 4.318 5.147 . 0 0 "[ . 1 . 2 . ]" 1
647 1 54 ILE H 1 63 ALA H 3.000 3.000 5.500 4.039 3.619 4.581 . 0 0 "[ . 1 . 2 . ]" 1
648 1 55 ASN HA 1 56 THR H 1.800 . 2.700 2.225 2.163 2.420 . 0 0 "[ . 1 . 2 . ]" 1
649 1 55 ASN HA 1 60 VAL HA 1.800 . 2.700 2.399 1.963 2.718 0.018 26 0 "[ . 1 . 2 . ]" 1
650 1 55 ASN HA 1 60 VAL MG1 1.800 . 5.500 2.958 1.900 4.659 . 0 0 "[ . 1 . 2 . ]" 1
651 1 55 ASN HA 1 60 VAL MG2 1.800 . 4.800 2.443 1.893 2.916 . 0 0 "[ . 1 . 2 . ]" 1
652 1 55 ASN HA 1 61 LEU H 1.800 . 5.500 3.753 3.435 4.174 . 0 0 "[ . 1 . 2 . ]" 1
653 1 55 ASN QB 1 55 ASN HD22 1.800 . 3.800 3.390 3.228 3.463 . 0 0 "[ . 1 . 2 . ]" 1
654 1 55 ASN QB 1 56 THR HA 1.800 . 4.800 4.561 4.398 4.801 0.001 7 0 "[ . 1 . 2 . ]" 1
655 1 55 ASN QB 1 56 THR H 1.800 . 4.300 3.942 3.819 4.022 . 0 0 "[ . 1 . 2 . ]" 1
656 1 55 ASN HD22 1 59 GLY HA2 1.800 . 5.500 4.930 3.854 5.513 0.013 29 0 "[ . 1 . 2 . ]" 1
657 1 55 ASN H 1 56 THR H 3.500 3.500 5.500 4.104 3.799 4.255 . 0 0 "[ . 1 . 2 . ]" 1
658 1 55 ASN H 1 60 VAL MG2 1.800 . 5.500 4.589 3.415 5.282 . 0 0 "[ . 1 . 2 . ]" 1
659 1 55 ASN H 1 61 LEU H 2.500 2.500 5.500 4.934 4.715 5.335 . 0 0 "[ . 1 . 2 . ]" 1
660 1 56 THR HA 1 57 PRO HD3 1.800 . 4.300 2.561 2.429 2.654 . 0 0 "[ . 1 . 2 . ]" 1
661 1 56 THR HA 1 57 PRO HD2 1.800 . 4.800 2.448 2.111 2.781 . 0 0 "[ . 1 . 2 . ]" 1
662 1 56 THR HB 1 57 PRO HD3 1.800 . 4.800 3.532 3.011 4.742 . 0 0 "[ . 1 . 2 . ]" 1
663 1 56 THR HB 1 57 PRO HD2 1.800 . 5.500 2.084 1.794 3.380 0.006 9 0 "[ . 1 . 2 . ]" 1
664 1 56 THR MG 1 57 PRO HD3 1.800 . 5.500 4.291 2.975 4.867 . 0 0 "[ . 1 . 2 . ]" 1
665 1 56 THR MG 1 57 PRO HD2 1.800 . 4.800 3.338 1.903 3.864 . 0 0 "[ . 1 . 2 . ]" 1
666 1 56 THR MG 1 85 LEU MD1 1.800 . 4.800 3.548 2.128 4.767 . 0 0 "[ . 1 . 2 . ]" 1
667 1 56 THR H 1 58 ASN H 2.500 2.500 5.500 4.718 4.463 5.431 . 0 0 "[ . 1 . 2 . ]" 1
668 1 56 THR H 1 59 GLY H 1.800 . 5.500 3.922 3.365 4.757 . 0 0 "[ . 1 . 2 . ]" 1
669 1 56 THR H 1 60 VAL HA 1.800 . 3.300 2.371 1.984 2.940 . 0 0 "[ . 1 . 2 . ]" 1
670 1 56 THR H 1 60 VAL HB 2.500 2.500 5.500 5.234 4.609 5.514 0.014 22 0 "[ . 1 . 2 . ]" 1
671 1 56 THR H 1 60 VAL H 3.000 3.000 5.500 4.418 2.972 4.901 0.028 29 0 "[ . 1 . 2 . ]" 1
672 1 56 THR H 1 61 LEU H 1.800 . 5.500 3.192 2.692 3.992 . 0 0 "[ . 1 . 2 . ]" 1
673 1 57 PRO HA 1 58 ASN H 1.800 . 5.500 3.479 3.404 3.552 . 0 0 "[ . 1 . 2 . ]" 1
674 1 57 PRO HB3 1 58 ASN H 1.800 . 4.800 4.291 4.047 4.415 . 0 0 "[ . 1 . 2 . ]" 1
675 1 57 PRO HB2 1 58 ASN H 1.800 . 5.500 3.467 3.105 3.798 . 0 0 "[ . 1 . 2 . ]" 1
676 1 57 PRO HD3 1 58 ASN H 1.800 . 5.500 4.033 3.828 4.187 . 0 0 "[ . 1 . 2 . ]" 1
677 1 57 PRO HD2 1 58 ASN H 1.800 . 5.500 3.000 2.616 3.300 . 0 0 "[ . 1 . 2 . ]" 1
678 1 57 PRO QG 1 58 ASN H 1.800 . 5.500 2.746 2.216 3.010 . 0 0 "[ . 1 . 2 . ]" 1
679 1 58 ASN HA 1 59 GLY H 1.800 . 4.300 3.209 2.834 3.502 . 0 0 "[ . 1 . 2 . ]" 1
680 1 58 ASN HB3 1 59 GLY H 2.500 2.500 5.500 4.105 2.934 4.683 . 0 0 "[ . 1 . 2 . ]" 1
681 1 58 ASN HB3 1 88 LEU HB3 1.800 . 5.500 4.224 2.465 5.532 0.032 8 0 "[ . 1 . 2 . ]" 1
682 1 58 ASN HB3 1 88 LEU MD1 1.800 . 4.800 3.536 1.935 4.821 0.021 25 0 "[ . 1 . 2 . ]" 1
683 1 58 ASN HB2 1 59 GLY H 3.500 3.500 5.500 4.048 3.488 4.423 0.012 16 0 "[ . 1 . 2 . ]" 1
684 1 58 ASN HB2 1 88 LEU HB3 1.800 . 5.500 4.046 1.974 5.509 0.009 19 0 "[ . 1 . 2 . ]" 1
685 1 58 ASN HB2 1 88 LEU MD1 1.800 . 5.500 3.448 1.943 5.362 . 0 0 "[ . 1 . 2 . ]" 1
686 1 58 ASN HB2 1 58 ASN HD22 1.800 . 4.300 3.742 3.432 4.096 . 0 0 "[ . 1 . 2 . ]" 1
687 1 58 ASN H 1 58 ASN HB2 1.800 . 3.800 2.915 2.189 3.691 . 0 0 "[ . 1 . 2 . ]" 1
688 1 58 ASN H 1 59 GLY HA3 1.800 . 5.500 4.890 4.722 5.225 . 0 0 "[ . 1 . 2 . ]" 1
689 1 58 ASN H 1 59 GLY H 1.800 . 3.300 2.479 2.135 3.013 . 0 0 "[ . 1 . 2 . ]" 1
690 1 58 ASN H 1 88 LEU MD1 1.800 . 5.500 4.795 2.866 5.523 0.023 6 0 "[ . 1 . 2 . ]" 1
691 1 59 GLY HA3 1 60 VAL H 1.800 . 3.300 2.419 2.136 3.451 0.151 29 0 "[ . 1 . 2 . ]" 1
692 1 59 GLY HA3 1 88 LEU MD2 1.800 . 4.800 4.055 2.106 4.804 0.004 20 0 "[ . 1 . 2 . ]" 1
693 1 59 GLY HA2 1 60 VAL HB 2.500 2.500 5.500 4.887 3.824 5.408 . 0 0 "[ . 1 . 2 . ]" 1
694 1 59 GLY HA2 1 60 VAL MG2 1.800 . 4.800 3.555 3.063 4.829 0.029 29 0 "[ . 1 . 2 . ]" 1
695 1 59 GLY HA2 1 60 VAL H 1.800 . 3.800 2.853 2.166 3.349 . 0 0 "[ . 1 . 2 . ]" 1
696 1 59 GLY H 1 60 VAL H 1.800 . 4.800 4.211 1.878 4.491 . 0 0 "[ . 1 . 2 . ]" 1
697 1 59 GLY H 1 88 LEU MD1 1.800 . 4.800 4.495 3.563 4.823 0.023 4 0 "[ . 1 . 2 . ]" 1
698 1 6 THR HA 1 7 SER H 1.800 . 3.300 2.276 2.130 2.681 . 0 0 "[ . 1 . 2 . ]" 1
699 1 6 THR HB 1 40 ILE MD 2.500 2.500 5.500 4.195 3.154 5.506 0.006 22 0 "[ . 1 . 2 . ]" 1
700 1 6 THR HB 1 40 ILE HG12 1.800 . 4.800 3.444 2.077 4.822 0.022 26 0 "[ . 1 . 2 . ]" 1
701 1 6 THR HB 1 7 SER H 1.800 . 5.500 4.321 3.827 4.620 . 0 0 "[ . 1 . 2 . ]" 1
702 1 6 THR MG 1 38 HIS HD2 1.800 . 4.800 3.873 1.897 4.813 0.013 4 0 "[ . 1 . 2 . ]" 1
703 1 6 THR MG 1 40 ILE MD 1.800 . 4.800 4.109 2.783 4.843 0.043 6 0 "[ . 1 . 2 . ]" 1
704 1 6 THR H 1 38 HIS HD2 3.000 3.000 5.500 3.438 2.993 4.063 0.007 23 0 "[ . 1 . 2 . ]" 1
705 1 6 THR H 1 40 ILE HA 1.800 . 4.300 2.944 2.684 3.416 . 0 0 "[ . 1 . 2 . ]" 1
706 1 6 THR H 1 7 SER H 1.800 . 4.800 3.640 2.669 4.213 . 0 0 "[ . 1 . 2 . ]" 1
707 1 60 VAL HA 1 61 LEU H 1.800 . 3.300 2.155 2.134 2.220 . 0 0 "[ . 1 . 2 . ]" 1
708 1 60 VAL HB 1 61 LEU H 1.800 . 5.500 4.245 3.870 4.526 . 0 0 "[ . 1 . 2 . ]" 1
709 1 60 VAL MG1 1 61 LEU H 1.800 . 4.800 2.841 2.171 3.325 . 0 0 "[ . 1 . 2 . ]" 1
710 1 60 VAL MG1 1 62 VAL HA 1.800 . 5.500 3.946 3.481 4.335 . 0 0 "[ . 1 . 2 . ]" 1
711 1 60 VAL H 1 60 VAL MG1 1.800 . 4.800 3.775 2.950 4.014 . 0 0 "[ . 1 . 2 . ]" 1
712 1 60 VAL H 1 60 VAL MG2 1.800 . 5.500 2.796 1.920 3.906 . 0 0 "[ . 1 . 2 . ]" 1
713 1 60 VAL H 1 61 LEU H 1.800 . 5.500 4.235 3.908 4.529 . 0 0 "[ . 1 . 2 . ]" 1
714 1 61 LEU HA 1 62 VAL H 1.800 . 4.800 2.169 2.137 2.260 . 0 0 "[ . 1 . 2 . ]" 1
715 1 61 LEU HB3 1 61 LEU MD1 1.800 . 4.800 2.513 2.030 3.184 . 0 0 "[ . 1 . 2 . ]" 1
716 1 61 LEU HB3 1 61 LEU MD2 1.800 . 4.800 2.550 1.905 3.193 . 0 0 "[ . 1 . 2 . ]" 1
717 1 61 LEU HB3 1 62 VAL H 2.500 2.500 5.500 3.756 3.255 4.238 . 0 0 "[ . 1 . 2 . ]" 1
718 1 61 LEU HB3 1 81 LEU MD1 1.800 . 5.500 3.355 1.871 5.398 . 0 0 "[ . 1 . 2 . ]" 1
719 1 61 LEU HB3 1 81 LEU MD2 1.800 . 4.300 2.067 1.805 3.301 . 0 0 "[ . 1 . 2 . ]" 1
720 1 61 LEU HB2 1 61 LEU MD1 1.800 . 5.500 2.531 1.982 3.186 . 0 0 "[ . 1 . 2 . ]" 1
721 1 61 LEU HB2 1 61 LEU MD2 1.800 . 5.500 2.839 2.039 3.197 . 0 0 "[ . 1 . 2 . ]" 1
722 1 61 LEU HB2 1 62 VAL H 2.000 . 5.500 4.414 4.043 4.590 . 0 0 "[ . 1 . 2 . ]" 1
723 1 61 LEU HB2 1 81 LEU MD1 1.800 . 5.500 3.931 2.478 5.632 0.132 4 0 "[ . 1 . 2 . ]" 1
724 1 61 LEU HB2 1 81 LEU MD2 1.800 . 4.800 2.855 1.938 3.839 . 0 0 "[ . 1 . 2 . ]" 1
725 1 61 LEU MD1 1 85 LEU HG 1.800 . 4.800 2.765 1.803 4.784 . 0 0 "[ . 1 . 2 . ]" 1
726 1 61 LEU MD2 1 62 VAL H 1.800 . 4.800 3.999 3.193 4.799 . 0 0 "[ . 1 . 2 . ]" 1
727 1 61 LEU MD2 1 84 GLN QB 1.800 . 4.800 3.040 1.837 4.793 . 0 0 "[ . 1 . 2 . ]" 1
728 1 61 LEU MD2 1 84 GLN HE21 1.800 . 4.800 3.575 1.874 4.810 0.010 23 0 "[ . 1 . 2 . ]" 1
729 1 61 LEU MD2 1 85 LEU HA 1.800 . 3.800 2.688 1.910 3.803 0.003 11 0 "[ . 1 . 2 . ]" 1
730 1 61 LEU MD2 1 85 LEU HG 1.800 . 4.300 2.902 1.859 4.283 . 0 0 "[ . 1 . 2 . ]" 1
731 1 61 LEU H 1 61 LEU HB3 1.800 . 4.300 3.476 2.304 3.738 . 0 0 "[ . 1 . 2 . ]" 1
732 1 61 LEU H 1 61 LEU MD1 1.800 . 4.800 3.763 2.624 4.416 . 0 0 "[ . 1 . 2 . ]" 1
733 1 61 LEU H 1 61 LEU MD2 1.800 . 5.500 3.401 2.156 4.507 . 0 0 "[ . 1 . 2 . ]" 1
734 1 61 LEU H 1 62 VAL H 1.800 . 5.500 4.300 3.975 4.531 . 0 0 "[ . 1 . 2 . ]" 1
735 1 62 VAL HA 1 63 ALA H 1.800 . 4.300 2.166 2.123 2.212 . 0 0 "[ . 1 . 2 . ]" 1
736 1 62 VAL HB 1 63 ALA H 1.800 . 5.500 4.386 3.553 4.605 . 0 0 "[ . 1 . 2 . ]" 1
737 1 62 VAL MG1 1 84 GLN HE22 3.000 3.000 5.500 4.043 2.970 5.226 0.030 15 0 "[ . 1 . 2 . ]" 1
738 1 62 VAL H 1 81 LEU HA 1.800 . 5.500 5.508 5.148 5.577 0.077 7 0 "[ . 1 . 2 . ]" 1
739 1 62 VAL H 1 81 LEU MD2 1.800 . 4.800 3.906 2.377 4.842 0.042 4 0 "[ . 1 . 2 . ]" 1
740 1 62 VAL H 1 84 GLN HE22 1.800 . 4.800 2.948 1.975 4.547 . 0 0 "[ . 1 . 2 . ]" 1
741 1 63 ALA MB 1 64 SER H 1.800 . 3.800 3.469 3.083 3.702 . 0 0 "[ . 1 . 2 . ]" 1
742 1 63 ALA MB 1 77 LEU HA 1.800 . 5.500 3.524 1.908 4.384 . 0 0 "[ . 1 . 2 . ]" 1
743 1 63 ALA MB 1 77 LEU MD1 1.800 . 4.300 2.192 1.764 3.764 0.036 9 0 "[ . 1 . 2 . ]" 1
744 1 63 ALA MB 1 81 LEU HB3 1.800 . 4.800 3.667 2.663 4.790 . 0 0 "[ . 1 . 2 . ]" 1
745 1 63 ALA MB 1 81 LEU MD2 1.800 . 3.800 2.787 1.783 3.725 0.017 27 0 "[ . 1 . 2 . ]" 1
746 1 63 ALA MB 1 81 LEU HG 1.800 . 4.800 2.230 1.788 3.860 0.012 7 0 "[ . 1 . 2 . ]" 1
747 1 63 ALA MB 1 81 LEU H 1.800 . 4.300 3.481 2.321 4.454 0.154 4 0 "[ . 1 . 2 . ]" 1
748 1 63 ALA H 1 64 SER H 1.800 . 5.500 4.184 3.688 4.494 . 0 0 "[ . 1 . 2 . ]" 1
749 1 63 ALA H 1 81 LEU MD2 1.800 . 4.800 3.689 2.439 4.831 0.031 14 0 "[ . 1 . 2 . ]" 1
750 1 64 SER HA 1 65 GLY H 1.800 . 4.300 2.151 2.138 2.169 . 0 0 "[ . 1 . 2 . ]" 1
751 1 64 SER HB3 1 65 GLY H 1.800 . 3.800 3.706 3.304 3.826 0.026 13 0 "[ . 1 . 2 . ]" 1
752 1 64 SER HB2 1 65 GLY H 1.800 . 4.300 3.965 3.370 4.283 . 0 0 "[ . 1 . 2 . ]" 1
753 1 64 SER H 1 65 GLY H 1.800 . 5.500 4.341 4.169 4.526 . 0 0 "[ . 1 . 2 . ]" 1
754 1 64 SER H 1 77 LEU HA 1.800 . 4.800 4.122 3.272 4.805 0.005 16 0 "[ . 1 . 2 . ]" 1
755 1 64 SER H 1 80 LYS HB3 1.800 . 5.500 3.860 2.676 5.522 0.022 6 0 "[ . 1 . 2 . ]" 1
756 1 64 SER H 1 80 LYS HB2 1.800 . 5.500 4.180 2.999 5.463 . 0 0 "[ . 1 . 2 . ]" 1
757 1 65 GLY HA3 1 66 LYS H 1.800 . 4.800 3.333 2.886 3.532 . 0 0 "[ . 1 . 2 . ]" 1
758 1 65 GLY HA3 1 77 LEU HB3 1.800 . 4.800 3.169 1.913 4.225 . 0 0 "[ . 1 . 2 . ]" 1
759 1 65 GLY HA3 1 77 LEU HB2 1.800 . 3.800 2.755 1.846 3.806 0.006 7 0 "[ . 1 . 2 . ]" 1
760 1 65 GLY HA3 1 77 LEU MD1 1.800 . 5.500 3.860 2.368 5.074 . 0 0 "[ . 1 . 2 . ]" 1
761 1 65 GLY HA3 1 77 LEU H 1.800 . 4.800 3.277 2.753 3.760 . 0 0 "[ . 1 . 2 . ]" 1
762 1 65 GLY HA2 1 66 LYS H 1.800 . 3.800 2.206 2.141 2.360 . 0 0 "[ . 1 . 2 . ]" 1
763 1 65 GLY HA2 1 76 GLU HB3 1.800 . 4.800 3.059 1.953 4.481 . 0 0 "[ . 1 . 2 . ]" 1
764 1 65 GLY H 1 66 LYS H 1.800 . 5.500 4.084 3.701 4.571 . 0 0 "[ . 1 . 2 . ]" 1
765 1 65 GLY H 1 77 LEU HB3 1.800 . 5.500 4.479 2.739 5.508 0.008 27 0 "[ . 1 . 2 . ]" 1
766 1 65 GLY H 1 77 LEU HB2 1.800 . 4.800 3.531 2.902 4.804 0.004 12 0 "[ . 1 . 2 . ]" 1
767 1 65 GLY H 1 77 LEU MD1 1.800 . 5.500 3.802 2.544 5.524 0.024 7 0 "[ . 1 . 2 . ]" 1
768 1 65 GLY H 1 77 LEU H 3.000 3.000 5.500 5.376 4.692 5.526 0.026 13 0 "[ . 1 . 2 . ]" 1
769 1 66 LYS HA 1 67 HIS H 1.800 . 3.800 2.175 2.142 2.268 . 0 0 "[ . 1 . 2 . ]" 1
770 1 66 LYS QB 1 67 HIS H 1.800 . 4.300 3.415 2.716 3.912 . 0 0 "[ . 1 . 2 . ]" 1
771 1 67 HIS HA 1 68 GLU H 1.800 . 3.800 2.251 2.147 2.383 . 0 0 "[ . 1 . 2 . ]" 1
772 1 67 HIS HB3 1 68 GLU H 1.800 . 4.300 3.386 2.801 3.923 . 0 0 "[ . 1 . 2 . ]" 1
773 1 67 HIS HB3 1 73 ALA HA 1.800 . 4.800 3.073 2.270 3.814 . 0 0 "[ . 1 . 2 . ]" 1
774 1 67 HIS HB3 1 73 ALA H 1.800 . 4.800 3.291 2.728 3.820 . 0 0 "[ . 1 . 2 . ]" 1
775 1 67 HIS HB2 1 68 GLU H 1.800 . 4.800 4.224 4.049 4.469 . 0 0 "[ . 1 . 2 . ]" 1
776 1 67 HIS HB2 1 73 ALA HA 1.800 . 4.800 2.501 1.940 3.155 . 0 0 "[ . 1 . 2 . ]" 1
777 1 67 HIS HB2 1 73 ALA MB 1.800 . 4.800 3.230 2.664 3.875 . 0 0 "[ . 1 . 2 . ]" 1
778 1 67 HIS HB2 1 73 ALA H 1.800 . 4.800 4.090 3.470 4.783 . 0 0 "[ . 1 . 2 . ]" 1
779 1 67 HIS HD2 1 68 GLU H 1.800 . 5.500 3.752 2.180 5.539 0.039 28 0 "[ . 1 . 2 . ]" 1
780 1 67 HIS HD2 1 69 ASP H 1.800 . 5.500 3.189 1.956 5.508 0.008 23 0 "[ . 1 . 2 . ]" 1
781 1 67 HIS HD2 1 72 THR MG 1.800 . 4.300 2.672 1.827 4.192 . 0 0 "[ . 1 . 2 . ]" 1
782 1 67 HIS HD2 1 72 THR H 3.000 3.000 5.500 5.092 4.300 5.525 0.025 28 0 "[ . 1 . 2 . ]" 1
783 1 67 HIS HD2 1 73 ALA H 2.500 2.500 5.500 4.846 3.914 5.504 0.004 17 0 "[ . 1 . 2 . ]" 1
784 1 67 HIS H 1 67 HIS HB3 1.800 . 4.300 3.519 3.234 3.770 . 0 0 "[ . 1 . 2 . ]" 1
785 1 67 HIS H 1 68 GLU H 1.800 . 5.500 4.227 3.972 4.380 . 0 0 "[ . 1 . 2 . ]" 1
786 1 67 HIS H 1 69 ASP H 3.000 3.000 5.500 5.360 4.184 5.553 0.053 27 0 "[ . 1 . 2 . ]" 1
787 1 67 HIS H 1 73 ALA MB 1.800 . 4.300 3.135 2.482 3.528 . 0 0 "[ . 1 . 2 . ]" 1
788 1 68 GLU HA 1 69 ASP H 1.800 . 5.500 3.502 2.575 3.579 . 0 0 "[ . 1 . 2 . ]" 1
789 1 68 GLU HB3 1 69 ASP H 1.800 . 4.800 3.249 2.327 4.394 . 0 0 "[ . 1 . 2 . ]" 1
790 1 68 GLU H 1 69 ASP H 1.800 . 4.300 2.801 2.580 3.643 . 0 0 "[ . 1 . 2 . ]" 1
791 1 68 GLU H 1 72 THR MG 2.500 2.500 5.500 5.131 3.748 5.503 0.003 28 0 "[ . 1 . 2 . ]" 1
792 1 69 ASP HA 1 70 MET H 1.800 . 3.800 2.229 2.140 2.386 . 0 0 "[ . 1 . 2 . ]" 1
793 1 69 ASP HA 1 71 TYR H 1.800 . 5.500 4.544 4.036 4.895 . 0 0 "[ . 1 . 2 . ]" 1
794 1 69 ASP HB3 1 71 TYR H 1.800 . 4.800 3.501 2.888 4.168 . 0 0 "[ . 1 . 2 . ]" 1
795 1 69 ASP HB3 1 72 THR HB 1.800 . 4.800 3.243 1.936 4.443 . 0 0 "[ . 1 . 2 . ]" 1
796 1 69 ASP HB3 1 72 THR MG 2.500 2.500 5.500 3.475 2.469 4.413 0.031 19 0 "[ . 1 . 2 . ]" 1
797 1 69 ASP HB2 1 70 MET H 1.800 . 4.800 4.231 3.863 4.518 . 0 0 "[ . 1 . 2 . ]" 1
798 1 69 ASP HB2 1 72 THR HB 1.800 . 4.800 3.052 1.912 4.214 . 0 0 "[ . 1 . 2 . ]" 1
799 1 69 ASP HB2 1 72 THR MG 2.500 2.500 5.500 3.152 2.467 4.279 0.033 19 0 "[ . 1 . 2 . ]" 1
800 1 69 ASP H 1 69 ASP HB3 1.800 . 4.300 3.339 2.710 3.894 . 0 0 "[ . 1 . 2 . ]" 1
801 1 69 ASP H 1 70 MET H 2.500 2.500 5.500 4.561 4.236 4.614 . 0 0 "[ . 1 . 2 . ]" 1
802 1 69 ASP H 1 72 THR MG 1.800 . 5.500 4.082 2.544 5.310 . 0 0 "[ . 1 . 2 . ]" 1
803 1 69 ASP H 1 72 THR H 2.500 2.500 5.500 4.844 4.321 5.307 . 0 0 "[ . 1 . 2 . ]" 1
804 1 69 ASP H 1 73 ALA MB 1.800 . 5.500 4.653 3.517 5.239 . 0 0 "[ . 1 . 2 . ]" 1
805 1 69 ASP H 1 73 ALA H 2.500 2.500 5.500 4.776 4.295 5.083 . 0 0 "[ . 1 . 2 . ]" 1
806 1 7 SER HA 1 40 ILE HA 3.000 3.000 5.500 3.025 2.963 3.190 0.037 4 0 "[ . 1 . 2 . ]" 1
807 1 7 SER HA 1 40 ILE MG 1.800 . 4.800 2.541 2.101 2.974 . 0 0 "[ . 1 . 2 . ]" 1
808 1 7 SER HA 1 41 LEU MD2 1.800 . 4.800 4.808 4.649 4.830 0.030 21 0 "[ . 1 . 2 . ]" 1
809 1 7 SER HA 1 41 LEU H 1.800 . 5.500 2.776 2.280 3.275 . 0 0 "[ . 1 . 2 . ]" 1
810 1 7 SER HB3 1 10 MET H 1.800 . 4.800 3.637 2.659 4.413 . 0 0 "[ . 1 . 2 . ]" 1
811 1 7 SER HB3 1 11 GLU HA 1.800 . 4.800 3.787 2.676 4.444 . 0 0 "[ . 1 . 2 . ]" 1
812 1 7 SER HB3 1 11 GLU H 2.500 2.500 5.500 4.782 2.652 5.506 0.006 13 0 "[ . 1 . 2 . ]" 1
813 1 7 SER HB3 1 12 ILE MD 1.800 . 3.800 3.483 2.905 3.812 0.012 27 0 "[ . 1 . 2 . ]" 1
814 1 7 SER HB3 1 41 LEU MD2 1.800 . 3.800 3.544 3.357 3.812 0.012 27 0 "[ . 1 . 2 . ]" 1
815 1 7 SER HB3 1 41 LEU H 1.800 . 5.500 3.988 3.747 4.297 . 0 0 "[ . 1 . 2 . ]" 1
816 1 7 SER HA 1 7 SER HB3 1.800 . 2.700 2.566 2.499 2.637 . 0 0 "[ . 1 . 2 . ]" 1
817 1 7 SER HB3 1 9 GLN H 1.800 . 5.500 4.719 2.525 5.642 0.142 9 0 "[ . 1 . 2 . ]" 1
818 1 7 SER HB2 1 11 GLU HA 1.800 . 4.800 3.053 1.974 4.012 . 0 0 "[ . 1 . 2 . ]" 1
819 1 7 SER HB2 1 11 GLU H 2.500 2.500 5.500 4.976 3.364 5.512 0.012 24 0 "[ . 1 . 2 . ]" 1
820 1 7 SER HB2 1 12 ILE MD 1.800 . 3.800 2.482 1.935 3.329 . 0 0 "[ . 1 . 2 . ]" 1
821 1 7 SER HB2 1 12 ILE HG13 1.800 . 5.500 4.582 2.007 5.512 0.012 17 0 "[ . 1 . 2 . ]" 1
822 1 7 SER HB2 1 12 ILE H 1.800 . 5.500 4.350 3.363 5.303 . 0 0 "[ . 1 . 2 . ]" 1
823 1 7 SER HB2 1 41 LEU H 1.800 . 5.500 4.314 4.153 4.451 . 0 0 "[ . 1 . 2 . ]" 1
824 1 7 SER H 1 12 ILE MD 1.800 . 4.800 3.171 2.415 4.125 . 0 0 "[ . 1 . 2 . ]" 1
825 1 7 SER H 1 41 LEU H 3.000 3.000 5.500 4.322 3.878 4.802 . 0 0 "[ . 1 . 2 . ]" 1
826 1 7 SER H 1 8 LYS H 1.800 . 5.500 4.583 4.519 4.633 . 0 0 "[ . 1 . 2 . ]" 1
827 1 70 MET HA 1 71 TYR H 1.800 . 4.800 3.566 3.535 3.586 . 0 0 "[ . 1 . 2 . ]" 1
828 1 70 MET HA 1 73 ALA MB 1.800 . 4.800 2.708 2.372 3.029 . 0 0 "[ . 1 . 2 . ]" 1
829 1 70 MET HA 1 73 ALA H 1.800 . 4.800 3.556 3.255 3.894 . 0 0 "[ . 1 . 2 . ]" 1
830 1 70 MET HB3 1 71 TYR H 1.800 . 4.300 3.009 2.048 3.789 . 0 0 "[ . 1 . 2 . ]" 1
831 1 70 MET HB3 1 72 THR H 3.500 3.500 5.500 5.199 4.631 5.543 0.043 7 0 "[ . 1 . 2 . ]" 1
832 1 70 MET HB2 1 71 TYR QD 3.500 3.500 5.500 4.838 3.936 5.530 0.030 19 0 "[ . 1 . 2 . ]" 1
833 1 70 MET HB2 1 71 TYR H 1.800 . 4.800 3.768 3.485 3.982 . 0 0 "[ . 1 . 2 . ]" 1
834 1 70 MET H 1 70 MET ME 1.800 . 5.500 3.787 2.598 5.149 . 0 0 "[ . 1 . 2 . ]" 1
835 1 70 MET HG3 1 71 TYR QD 2.500 2.500 5.500 3.695 2.474 4.849 0.026 26 0 "[ . 1 . 2 . ]" 1
836 1 70 MET HG3 1 71 TYR QE 1.800 . 5.500 4.421 3.480 5.506 0.006 16 0 "[ . 1 . 2 . ]" 1
837 1 70 MET HG3 1 71 TYR H 1.800 . 5.500 3.631 2.167 4.483 . 0 0 "[ . 1 . 2 . ]" 1
838 1 70 MET HG3 1 74 ILE MD 1.800 . 5.500 3.550 2.335 4.869 . 0 0 "[ . 1 . 2 . ]" 1
839 1 70 MET HG2 1 71 TYR QD 1.800 . 5.500 2.859 1.928 3.980 . 0 0 "[ . 1 . 2 . ]" 1
840 1 70 MET HG2 1 71 TYR QE 1.800 . 4.800 4.140 3.408 4.825 0.025 26 0 "[ . 1 . 2 . ]" 1
841 1 70 MET HG2 1 71 TYR H 1.800 . 5.500 2.544 1.838 4.112 . 0 0 "[ . 1 . 2 . ]" 1
842 1 70 MET HG2 1 74 ILE MD 1.800 . 4.800 3.174 1.880 4.808 0.008 4 0 "[ . 1 . 2 . ]" 1
843 1 70 MET H 1 71 TYR HA 3.000 3.000 5.500 5.368 5.186 5.513 0.013 11 0 "[ . 1 . 2 . ]" 1
844 1 70 MET H 1 71 TYR H 1.800 . 4.800 2.820 2.560 3.013 . 0 0 "[ . 1 . 2 . ]" 1
845 1 70 MET H 1 72 THR H 1.800 . 4.800 4.015 3.813 4.389 . 0 0 "[ . 1 . 2 . ]" 1
846 1 71 TYR HA 1 74 ILE HB 1.800 . 4.800 3.992 3.331 4.811 0.011 23 0 "[ . 1 . 2 . ]" 1
847 1 71 TYR HA 1 74 ILE H 1.800 . 4.800 3.372 3.154 3.701 . 0 0 "[ . 1 . 2 . ]" 1
848 1 71 TYR HA 1 75 ASN HD21 1.800 . 4.800 4.198 3.374 4.830 0.030 24 0 "[ . 1 . 2 . ]" 1
849 1 71 TYR HA 1 75 ASN HD22 1.800 . 4.800 4.508 3.820 4.807 0.007 8 0 "[ . 1 . 2 . ]" 1
850 1 71 TYR HA 1 75 ASN H 1.800 . 5.500 4.265 3.881 4.488 . 0 0 "[ . 1 . 2 . ]" 1
851 1 71 TYR HB2 1 72 THR H 1.800 . 4.800 2.898 2.585 3.197 . 0 0 "[ . 1 . 2 . ]" 1
852 1 71 TYR QD 1 72 THR H 3.500 3.500 5.500 4.571 4.437 4.681 . 0 0 "[ . 1 . 2 . ]" 1
853 1 71 TYR QD 1 74 ILE MD 1.800 . 5.500 3.054 1.904 3.535 . 0 0 "[ . 1 . 2 . ]" 1
854 1 71 TYR QD 1 74 ILE HG13 2.500 2.500 5.500 2.829 2.491 3.264 0.009 22 0 "[ . 1 . 2 . ]" 1
855 1 71 TYR QD 1 74 ILE HG12 2.500 2.500 5.500 3.338 3.052 3.719 . 0 0 "[ . 1 . 2 . ]" 1
856 1 71 TYR QD 1 74 ILE MG 1.800 . 5.500 4.696 4.452 4.985 . 0 0 "[ . 1 . 2 . ]" 1
857 1 71 TYR QD 1 74 ILE H 2.500 2.500 5.500 4.803 4.607 5.066 . 0 0 "[ . 1 . 2 . ]" 1
858 1 71 TYR QE 1 74 ILE MD 1.800 . 4.300 4.236 2.874 4.369 0.069 11 0 "[ . 1 . 2 . ]" 1
859 1 71 TYR QE 1 74 ILE HG13 1.800 . 4.800 4.261 4.042 4.831 0.031 5 0 "[ . 1 . 2 . ]" 1
860 1 71 TYR QE 1 74 ILE HG12 1.800 . 5.500 5.320 5.140 5.521 0.021 23 0 "[ . 1 . 2 . ]" 1
861 1 71 TYR QE 1 74 ILE MG 1.800 . 5.500 5.419 5.066 5.532 0.032 27 0 "[ . 1 . 2 . ]" 1
862 1 71 TYR H 1 71 TYR HB2 1.800 . 4.300 2.256 2.131 2.379 . 0 0 "[ . 1 . 2 . ]" 1
863 1 72 THR HA 1 73 ALA H 2.500 2.500 5.500 3.491 3.447 3.533 . 0 0 "[ . 1 . 2 . ]" 1
864 1 72 THR HA 1 75 ASN HB3 1.800 . 5.500 4.094 3.237 4.832 . 0 0 "[ . 1 . 2 . ]" 1
865 1 72 THR HA 1 75 ASN HB2 1.800 . 4.300 2.593 1.959 3.280 . 0 0 "[ . 1 . 2 . ]" 1
866 1 72 THR HA 1 75 ASN H 1.800 . 4.800 3.441 3.091 3.773 . 0 0 "[ . 1 . 2 . ]" 1
867 1 72 THR HA 1 76 GLU H 2.500 2.500 5.500 4.046 3.488 4.351 . 0 0 "[ . 1 . 2 . ]" 1
868 1 72 THR HB 1 73 ALA H 1.800 . 5.500 3.118 2.672 3.889 . 0 0 "[ . 1 . 2 . ]" 1
869 1 72 THR HB 1 76 GLU H 2.500 2.500 5.500 5.300 4.561 5.547 0.047 21 0 "[ . 1 . 2 . ]" 1
870 1 72 THR MG 1 73 ALA H 1.800 . 5.500 3.949 2.202 4.271 . 0 0 "[ . 1 . 2 . ]" 1
871 1 72 THR MG 1 76 GLU H 2.500 2.500 5.500 4.457 3.618 5.537 0.037 28 0 "[ . 1 . 2 . ]" 1
872 1 72 THR H 1 73 ALA MB 1.800 . 5.500 4.195 3.970 4.479 . 0 0 "[ . 1 . 2 . ]" 1
873 1 72 THR H 1 73 ALA H 1.800 . 5.500 2.565 2.354 2.801 . 0 0 "[ . 1 . 2 . ]" 1
874 1 72 THR H 1 74 ILE H 3.500 3.500 5.500 4.273 3.898 4.824 . 0 0 "[ . 1 . 2 . ]" 1
875 1 73 ALA HA 1 74 ILE HA 3.500 3.500 5.500 4.765 4.692 4.841 . 0 0 "[ . 1 . 2 . ]" 1
876 1 73 ALA HA 1 74 ILE H 2.500 2.500 5.500 3.534 3.476 3.576 . 0 0 "[ . 1 . 2 . ]" 1
877 1 73 ALA HA 1 76 GLU QB 1.800 . 4.800 3.004 2.518 3.700 . 0 0 "[ . 1 . 2 . ]" 1
878 1 73 ALA HA 1 76 GLU QG 2.500 2.500 5.500 4.498 3.461 5.501 0.001 19 0 "[ . 1 . 2 . ]" 1
879 1 73 ALA HA 1 76 GLU H 1.800 . 5.500 3.716 3.377 4.215 . 0 0 "[ . 1 . 2 . ]" 1
880 1 73 ALA HA 1 77 LEU H 3.500 3.500 5.500 4.248 3.867 4.613 . 0 0 "[ . 1 . 2 . ]" 1
881 1 73 ALA MB 1 74 ILE H 1.800 . 4.800 2.541 2.098 2.817 . 0 0 "[ . 1 . 2 . ]" 1
882 1 73 ALA H 1 74 ILE H 1.800 . 4.800 2.655 2.476 2.966 . 0 0 "[ . 1 . 2 . ]" 1
883 1 74 ILE HA 1 75 ASN H 1.800 . 5.500 3.513 3.398 3.567 . 0 0 "[ . 1 . 2 . ]" 1
884 1 74 ILE HA 1 76 GLU H 3.000 3.000 5.500 4.668 4.067 5.266 . 0 0 "[ . 1 . 2 . ]" 1
885 1 74 ILE HA 1 77 LEU HA 3.500 3.500 5.500 5.386 4.877 5.550 0.050 21 0 "[ . 1 . 2 . ]" 1
886 1 74 ILE HA 1 77 LEU HB3 1.800 . 4.800 2.898 2.152 4.648 . 0 0 "[ . 1 . 2 . ]" 1
887 1 74 ILE HA 1 77 LEU HB2 2.500 2.500 5.500 3.861 2.510 4.757 . 0 0 "[ . 1 . 2 . ]" 1
888 1 74 ILE HA 1 77 LEU MD2 1.800 . 5.500 2.905 1.854 5.041 . 0 0 "[ . 1 . 2 . ]" 1
889 1 74 ILE HA 1 77 LEU H 2.500 2.500 5.500 3.544 3.311 3.842 . 0 0 "[ . 1 . 2 . ]" 1
890 1 74 ILE HA 1 78 ILE H 1.800 . 5.500 4.217 3.625 4.665 . 0 0 "[ . 1 . 2 . ]" 1
891 1 74 ILE HG13 1 75 ASN H 1.800 . 5.500 4.208 2.984 4.541 . 0 0 "[ . 1 . 2 . ]" 1
892 1 74 ILE MG 1 75 ASN H 1.800 . 4.800 4.091 3.441 4.377 . 0 0 "[ . 1 . 2 . ]" 1
893 1 74 ILE H 1 75 ASN HB2 1.800 . 5.500 4.655 4.341 5.056 . 0 0 "[ . 1 . 2 . ]" 1
894 1 74 ILE H 1 75 ASN H 1.800 . 4.800 2.638 2.469 2.915 . 0 0 "[ . 1 . 2 . ]" 1
895 1 74 ILE H 1 76 GLU H 3.500 3.500 5.500 4.372 3.907 4.848 . 0 0 "[ . 1 . 2 . ]" 1
896 1 75 ASN HA 1 76 GLU H 1.800 . 5.500 3.549 3.486 3.578 . 0 0 "[ . 1 . 2 . ]" 1
897 1 75 ASN HA 1 78 ILE HB 1.800 . 4.800 3.860 2.782 4.819 0.019 25 0 "[ . 1 . 2 . ]" 1
898 1 75 ASN HA 1 78 ILE H 1.800 . 5.500 3.601 3.315 4.063 . 0 0 "[ . 1 . 2 . ]" 1
899 1 75 ASN HA 1 79 ASN H 2.500 2.500 5.500 4.352 3.828 4.716 . 0 0 "[ . 1 . 2 . ]" 1
900 1 75 ASN HB3 1 76 GLU H 1.800 . 5.500 3.249 2.523 4.029 . 0 0 "[ . 1 . 2 . ]" 1
901 1 75 ASN HB2 1 76 GLU H 1.800 . 5.500 2.565 2.191 2.990 . 0 0 "[ . 1 . 2 . ]" 1
902 1 75 ASN HA 1 75 ASN HD21 1.800 . 5.500 3.415 2.135 4.379 . 0 0 "[ . 1 . 2 . ]" 1
903 1 75 ASN HA 1 75 ASN HD22 1.800 . 5.500 4.061 3.344 4.651 . 0 0 "[ . 1 . 2 . ]" 1
904 1 75 ASN H 1 76 GLU H 1.800 . 4.800 2.772 2.393 3.039 . 0 0 "[ . 1 . 2 . ]" 1
905 1 75 ASN H 1 77 LEU H 2.500 2.500 5.500 4.017 3.645 4.514 . 0 0 "[ . 1 . 2 . ]" 1
906 1 76 GLU HA 1 77 LEU H 3.500 3.500 5.500 3.516 3.471 3.568 0.029 17 0 "[ . 1 . 2 . ]" 1
907 1 76 GLU HA 1 79 ASN HB3 1.800 . 4.800 3.758 2.405 4.640 . 0 0 "[ . 1 . 2 . ]" 1
908 1 76 GLU HA 1 79 ASN HB2 2.500 2.500 5.500 3.863 2.488 5.235 0.012 13 0 "[ . 1 . 2 . ]" 1
909 1 76 GLU HA 1 79 ASN HD21 1.800 . 5.500 2.600 1.947 4.724 . 0 0 "[ . 1 . 2 . ]" 1
910 1 76 GLU HA 1 79 ASN HD22 1.800 . 5.500 3.168 1.925 4.647 . 0 0 "[ . 1 . 2 . ]" 1
911 1 76 GLU HA 1 79 ASN H 1.800 . 5.500 3.593 3.333 3.877 . 0 0 "[ . 1 . 2 . ]" 1
912 1 76 GLU QB 1 77 LEU H 1.800 . 4.800 2.721 2.416 2.982 . 0 0 "[ . 1 . 2 . ]" 1
913 1 76 GLU HG3 1 79 ASN HD21 1.800 . 5.500 4.412 2.164 5.503 0.003 6 0 "[ . 1 . 2 . ]" 1
914 1 76 GLU HG2 1 79 ASN HD22 1.800 . 5.500 4.411 2.223 5.518 0.018 4 0 "[ . 1 . 2 . ]" 1
915 1 76 GLU H 1 77 LEU H 1.800 . 4.800 2.694 2.471 2.857 . 0 0 "[ . 1 . 2 . ]" 1
916 1 76 GLU H 1 78 ILE MG 1.800 . 5.500 4.570 3.897 5.521 0.021 12 0 "[ . 1 . 2 . ]" 1
917 1 76 GLU H 1 78 ILE H 3.500 3.500 5.500 4.375 3.799 4.970 . 0 0 "[ . 1 . 2 . ]" 1
918 1 77 LEU HA 1 78 ILE H 1.800 . 5.500 3.547 3.436 3.578 . 0 0 "[ . 1 . 2 . ]" 1
919 1 77 LEU HA 1 79 ASN H 3.000 3.000 5.500 4.412 4.020 4.909 . 0 0 "[ . 1 . 2 . ]" 1
920 1 77 LEU HA 1 80 LYS HB2 1.800 . 5.500 3.482 2.790 5.505 0.005 13 0 "[ . 1 . 2 . ]" 1
921 1 77 LEU HA 1 80 LYS H 1.800 . 5.500 3.744 3.422 4.289 . 0 0 "[ . 1 . 2 . ]" 1
922 1 77 LEU HB3 1 78 ILE H 1.800 . 5.500 3.010 2.086 4.437 . 0 0 "[ . 1 . 2 . ]" 1
923 1 77 LEU H 1 78 ILE H 1.800 . 5.500 2.728 2.499 3.024 . 0 0 "[ . 1 . 2 . ]" 1
924 1 77 LEU H 1 79 ASN H 1.800 . 5.500 4.139 3.836 4.528 . 0 0 "[ . 1 . 2 . ]" 1
925 1 78 ILE HA 1 79 ASN H 1.800 . 4.800 3.532 3.456 3.590 . 0 0 "[ . 1 . 2 . ]" 1
926 1 78 ILE HA 1 81 LEU HB3 1.800 . 4.800 3.597 2.327 4.812 0.012 7 0 "[ . 1 . 2 . ]" 1
927 1 78 ILE HA 1 81 LEU HB2 1.800 . 5.500 3.022 2.365 4.223 . 0 0 "[ . 1 . 2 . ]" 1
928 1 78 ILE HA 1 81 LEU H 1.800 . 4.800 3.622 3.346 3.993 . 0 0 "[ . 1 . 2 . ]" 1
929 1 78 ILE HB 1 79 ASN H 1.800 . 4.800 3.793 3.093 4.117 . 0 0 "[ . 1 . 2 . ]" 1
930 1 78 ILE HG13 1 79 ASN H 1.800 . 5.500 4.514 1.930 5.249 . 0 0 "[ . 1 . 2 . ]" 1
931 1 78 ILE H 1 79 ASN H 1.800 . 4.300 2.686 2.533 2.819 . 0 0 "[ . 1 . 2 . ]" 1
932 1 79 ASN HA 1 80 LYS H 1.800 . 5.500 3.554 3.497 3.577 . 0 0 "[ . 1 . 2 . ]" 1
933 1 79 ASN HA 1 82 GLU HB3 1.800 . 4.800 3.606 2.333 4.764 . 0 0 "[ . 1 . 2 . ]" 1
934 1 79 ASN HA 1 82 GLU HB2 1.800 . 5.500 2.970 2.168 3.945 . 0 0 "[ . 1 . 2 . ]" 1
935 1 79 ASN HA 1 82 GLU H 1.800 . 5.500 3.603 3.351 3.966 . 0 0 "[ . 1 . 2 . ]" 1
936 1 79 ASN HA 1 83 ARG H 1.800 . 5.500 4.340 4.040 4.589 . 0 0 "[ . 1 . 2 . ]" 1
937 1 79 ASN HB3 1 80 LYS H 1.800 . 5.500 3.427 2.827 4.099 . 0 0 "[ . 1 . 2 . ]" 1
938 1 79 ASN HB2 1 80 LYS H 1.800 . 5.500 3.261 2.023 4.142 . 0 0 "[ . 1 . 2 . ]" 1
939 1 79 ASN HB3 1 79 ASN HD22 1.800 . 4.300 3.663 3.434 4.083 . 0 0 "[ . 1 . 2 . ]" 1
940 1 79 ASN HB2 1 79 ASN HD22 1.800 . 4.300 3.716 3.432 4.055 . 0 0 "[ . 1 . 2 . ]" 1
941 1 79 ASN H 1 79 ASN HD21 1.800 . 5.500 3.618 2.890 4.455 . 0 0 "[ . 1 . 2 . ]" 1
942 1 79 ASN H 1 79 ASN HD22 1.800 . 4.800 4.325 3.675 4.820 0.020 8 0 "[ . 1 . 2 . ]" 1
943 1 79 ASN H 1 80 LYS H 1.800 . 4.300 2.764 2.573 3.140 . 0 0 "[ . 1 . 2 . ]" 1
944 1 8 LYS HA 1 9 GLN H 1.800 . 4.300 3.079 2.128 3.565 . 0 0 "[ . 1 . 2 . ]" 1
945 1 8 LYS QB 1 42 SER HB3 1.800 . 4.300 2.330 1.946 3.325 . 0 0 "[ . 1 . 2 . ]" 1
946 1 8 LYS QB 1 42 SER HB2 1.800 . 4.800 3.430 3.064 3.882 . 0 0 "[ . 1 . 2 . ]" 1
947 1 8 LYS QB 1 43 LYS H 1.800 . 4.300 4.016 3.257 4.363 0.063 9 0 "[ . 1 . 2 . ]" 1
948 1 8 LYS QD 1 9 GLN HE21 1.800 . 5.500 4.612 3.216 5.506 0.006 15 0 "[ . 1 . 2 . ]" 1
949 1 8 LYS QD 1 9 GLN HE22 1.800 . 5.500 4.240 2.418 5.518 0.018 6 0 "[ . 1 . 2 . ]" 1
950 1 8 LYS H 1 40 ILE MG 1.800 . 5.500 3.312 2.673 4.120 . 0 0 "[ . 1 . 2 . ]" 1
951 1 8 LYS H 1 42 SER H 2.500 2.500 5.500 4.458 4.108 4.861 . 0 0 "[ . 1 . 2 . ]" 1
952 1 80 LYS HA 1 81 LEU H 1.800 . 5.500 3.545 3.480 3.582 . 0 0 "[ . 1 . 2 . ]" 1
953 1 80 LYS HA 1 83 ARG QB 1.800 . 4.800 3.459 2.720 4.550 . 0 0 "[ . 1 . 2 . ]" 1
954 1 80 LYS HA 1 83 ARG H 1.800 . 4.800 3.844 3.522 4.315 . 0 0 "[ . 1 . 2 . ]" 1
955 1 80 LYS HA 1 84 GLN H 1.800 . 4.800 4.296 3.899 4.648 . 0 0 "[ . 1 . 2 . ]" 1
956 1 80 LYS H 1 81 LEU H 1.800 . 4.300 2.764 2.525 3.005 . 0 0 "[ . 1 . 2 . ]" 1
957 1 80 LYS H 1 82 GLU H 1.800 . 5.500 4.202 3.884 4.596 . 0 0 "[ . 1 . 2 . ]" 1
958 1 81 LEU HA 1 82 GLU H 1.800 . 5.500 3.535 3.473 3.570 . 0 0 "[ . 1 . 2 . ]" 1
959 1 81 LEU HA 1 84 GLN HB3 1.800 . 4.300 3.442 2.441 4.311 0.011 25 0 "[ . 1 . 2 . ]" 1
960 1 81 LEU HA 1 84 GLN HE22 1.800 . 4.800 3.645 2.277 4.657 . 0 0 "[ . 1 . 2 . ]" 1
961 1 81 LEU HA 1 84 GLN H 1.800 . 5.500 3.629 3.086 3.928 . 0 0 "[ . 1 . 2 . ]" 1
962 1 81 LEU HA 1 85 LEU H 2.500 2.500 5.500 4.041 3.565 4.566 . 0 0 "[ . 1 . 2 . ]" 1
963 1 81 LEU HB3 1 82 GLU H 1.800 . 3.800 2.918 2.229 3.727 . 0 0 "[ . 1 . 2 . ]" 1
964 1 81 LEU HB2 1 82 GLU H 1.800 . 4.800 3.217 2.438 3.949 . 0 0 "[ . 1 . 2 . ]" 1
965 1 81 LEU MD2 1 84 GLN HE22 1.800 . 4.300 3.277 1.911 4.402 0.102 4 0 "[ . 1 . 2 . ]" 1
966 1 81 LEU HG 1 84 GLN HE22 1.800 . 4.800 4.484 3.230 4.819 0.019 7 0 "[ . 1 . 2 . ]" 1
967 1 81 LEU H 1 81 LEU HB3 1.800 . 4.300 3.147 2.579 3.588 . 0 0 "[ . 1 . 2 . ]" 1
968 1 81 LEU H 1 81 LEU HG 1.800 . 4.800 3.689 2.357 4.637 . 0 0 "[ . 1 . 2 . ]" 1
969 1 81 LEU H 1 82 GLU H 1.800 . 4.300 2.729 2.538 2.956 . 0 0 "[ . 1 . 2 . ]" 1
970 1 81 LEU H 1 83 ARG H 3.500 3.500 5.500 4.625 4.103 5.143 . 0 0 "[ . 1 . 2 . ]" 1
971 1 82 GLU HA 1 83 ARG H 2.500 2.500 5.500 3.568 3.535 3.580 . 0 0 "[ . 1 . 2 . ]" 1
972 1 82 GLU HA 1 84 GLN H 1.800 . 5.500 4.554 4.250 5.083 . 0 0 "[ . 1 . 2 . ]" 1
973 1 82 GLU HA 1 85 LEU HB3 1.800 . 4.800 3.490 2.089 4.702 . 0 0 "[ . 1 . 2 . ]" 1
974 1 82 GLU HA 1 85 LEU HB2 1.800 . 5.500 2.946 2.182 4.387 . 0 0 "[ . 1 . 2 . ]" 1
975 1 82 GLU HA 1 85 LEU H 1.800 . 4.800 3.562 3.253 4.072 . 0 0 "[ . 1 . 2 . ]" 1
976 1 82 GLU HA 1 86 ASN H 1.800 . 5.500 4.154 3.345 4.497 . 0 0 "[ . 1 . 2 . ]" 1
977 1 82 GLU QB 1 83 ARG H 1.800 . 4.800 2.304 1.964 2.630 . 0 0 "[ . 1 . 2 . ]" 1
978 1 82 GLU QB 1 86 ASN HD21 1.800 . 4.800 4.200 3.477 4.786 . 0 0 "[ . 1 . 2 . ]" 1
979 1 82 GLU QB 1 86 ASN HD22 1.800 . 4.800 3.843 2.764 4.859 0.059 17 0 "[ . 1 . 2 . ]" 1
980 1 82 GLU QG 1 83 ARG H 1.800 . 5.500 3.881 2.175 4.411 . 0 0 "[ . 1 . 2 . ]" 1
981 1 82 GLU H 1 83 ARG H 1.800 . 4.800 2.952 2.790 3.274 . 0 0 "[ . 1 . 2 . ]" 1
982 1 83 ARG HA 1 86 ASN QB 1.800 . 4.300 3.364 2.233 4.348 0.048 4 0 "[ . 1 . 2 . ]" 1
983 1 83 ARG HA 1 86 ASN HD21 1.800 . 5.500 2.704 2.000 3.669 . 0 0 "[ . 1 . 2 . ]" 1
984 1 83 ARG HA 1 86 ASN HD22 1.800 . 4.800 3.074 1.779 4.030 0.021 17 0 "[ . 1 . 2 . ]" 1
985 1 83 ARG HA 1 86 ASN H 1.800 . 5.500 3.730 3.354 4.149 . 0 0 "[ . 1 . 2 . ]" 1
986 1 83 ARG QB 1 86 ASN HD21 1.800 . 5.500 4.608 3.849 5.523 0.023 12 0 "[ . 1 . 2 . ]" 1
987 1 83 ARG QB 1 86 ASN HD22 1.800 . 5.500 4.831 3.236 5.514 0.014 21 0 "[ . 1 . 2 . ]" 1
988 1 83 ARG HB3 1 84 GLN H 1.800 . 5.500 3.090 2.350 4.128 . 0 0 "[ . 1 . 2 . ]" 1
989 1 83 ARG HB2 1 84 GLN H 1.800 . 4.800 3.424 2.222 4.137 . 0 0 "[ . 1 . 2 . ]" 1
990 1 83 ARG QG 1 84 GLN H 1.800 . 5.500 3.436 1.949 4.579 . 0 0 "[ . 1 . 2 . ]" 1
991 1 83 ARG H 1 83 ARG HB3 1.800 . 4.300 2.866 2.055 3.596 . 0 0 "[ . 1 . 2 . ]" 1
992 1 83 ARG H 1 83 ARG QD 1.800 . 5.500 4.000 2.284 4.881 . 0 0 "[ . 1 . 2 . ]" 1
993 1 83 ARG H 1 84 GLN H 1.800 . 4.800 2.815 2.519 3.001 . 0 0 "[ . 1 . 2 . ]" 1
994 1 83 ARG H 1 85 LEU H 2.500 2.500 5.500 4.178 3.820 4.773 . 0 0 "[ . 1 . 2 . ]" 1
995 1 84 GLN HA 1 85 LEU H 1.800 . 4.800 3.515 3.446 3.578 . 0 0 "[ . 1 . 2 . ]" 1
996 1 84 GLN HA 1 86 ASN H 1.800 . 5.500 4.732 4.036 5.318 . 0 0 "[ . 1 . 2 . ]" 1
997 1 84 GLN HA 1 87 LYS HB3 1.800 . 4.800 3.452 2.607 4.808 0.008 26 0 "[ . 1 . 2 . ]" 1
998 1 84 GLN HA 1 87 LYS QG 1.800 . 4.800 3.665 2.057 4.802 0.002 29 0 "[ . 1 . 2 . ]" 1
999 1 84 GLN HA 1 87 LYS H 1.800 . 5.500 3.776 3.521 4.110 . 0 0 "[ . 1 . 2 . ]" 1
1000 1 84 GLN QB 1 85 LEU H 1.800 . 3.800 2.648 2.143 3.018 . 0 0 "[ . 1 . 2 . ]" 1
1001 1 84 GLN QG 1 85 LEU H 3.500 3.500 5.500 4.101 3.642 4.525 . 0 0 "[ . 1 . 2 . ]" 1
1002 1 84 GLN H 1 85 LEU H 1.800 . 4.300 2.676 2.491 2.968 . 0 0 "[ . 1 . 2 . ]" 1
1003 1 85 LEU HA 1 86 ASN H 1.800 . 5.500 3.545 3.476 3.578 . 0 0 "[ . 1 . 2 . ]" 1
1004 1 85 LEU HA 1 88 LEU QB 1.800 . 4.800 3.095 2.389 4.821 0.021 19 0 "[ . 1 . 2 . ]" 1
1005 1 85 LEU HA 1 88 LEU HB3 1.800 . 5.500 3.684 2.509 5.378 . 0 0 "[ . 1 . 2 . ]" 1
1006 1 85 LEU HA 1 88 LEU H 1.800 . 4.800 3.729 3.503 4.192 . 0 0 "[ . 1 . 2 . ]" 1
1007 1 85 LEU HA 1 89 GLN H 3.500 3.500 5.500 4.032 3.494 4.596 0.006 26 0 "[ . 1 . 2 . ]" 1
1008 1 85 LEU QB 1 86 ASN H 1.800 . 5.500 2.420 1.958 2.947 . 0 0 "[ . 1 . 2 . ]" 1
1009 1 85 LEU MD1 1 86 ASN H 1.800 . 5.500 4.512 3.867 4.950 . 0 0 "[ . 1 . 2 . ]" 1
1010 1 85 LEU MD2 1 86 ASN H 1.800 . 5.500 3.836 2.767 4.805 . 0 0 "[ . 1 . 2 . ]" 1
1011 1 85 LEU MD2 1 89 GLN HE21 2.500 2.500 5.500 3.789 2.485 5.383 0.015 4 0 "[ . 1 . 2 . ]" 1
1012 1 85 LEU MD2 1 89 GLN HE22 2.500 2.500 5.500 4.305 2.774 5.508 0.008 6 0 "[ . 1 . 2 . ]" 1
1013 1 85 LEU HG 1 86 ASN H 1.800 . 5.500 4.650 3.027 5.120 . 0 0 "[ . 1 . 2 . ]" 1
1014 1 85 LEU H 1 86 ASN QB 3.500 3.500 5.500 4.806 4.336 5.357 . 0 0 "[ . 1 . 2 . ]" 1
1015 1 85 LEU H 1 86 ASN H 1.800 . 4.300 2.785 2.503 3.037 . 0 0 "[ . 1 . 2 . ]" 1
1016 1 85 LEU H 1 87 LYS H 2.500 2.500 5.500 4.242 3.785 4.938 . 0 0 "[ . 1 . 2 . ]" 1
1017 1 86 ASN HA 1 87 LYS H 1.800 . 5.500 3.544 3.476 3.579 . 0 0 "[ . 1 . 2 . ]" 1
1018 1 86 ASN HA 1 89 GLN QB 1.800 . 5.500 2.588 1.985 3.282 . 0 0 "[ . 1 . 2 . ]" 1
1019 1 86 ASN HA 1 89 GLN QG 1.800 . 5.500 3.946 2.722 4.887 . 0 0 "[ . 1 . 2 . ]" 1
1020 1 86 ASN HA 1 89 GLN H 1.800 . 4.800 3.624 3.244 4.092 . 0 0 "[ . 1 . 2 . ]" 1
1021 1 86 ASN HA 1 90 HIS H 1.800 . 4.800 4.145 3.499 4.610 . 0 0 "[ . 1 . 2 . ]" 1
1022 1 86 ASN QB 1 87 LYS H 1.800 . 4.800 2.734 2.228 3.562 . 0 0 "[ . 1 . 2 . ]" 1
1023 1 86 ASN HA 1 86 ASN HD21 3.000 3.000 5.500 4.019 3.494 4.460 . 0 0 "[ . 1 . 2 . ]" 1
1024 1 86 ASN HA 1 86 ASN HD22 1.800 . 4.800 4.610 4.023 4.931 0.131 17 0 "[ . 1 . 2 . ]" 1
1025 1 86 ASN H 1 86 ASN HD21 1.800 . 4.800 2.904 1.831 4.287 . 0 0 "[ . 1 . 2 . ]" 1
1026 1 86 ASN H 1 86 ASN HD22 1.800 . 4.800 3.679 2.829 4.770 . 0 0 "[ . 1 . 2 . ]" 1
1027 1 86 ASN H 1 87 LYS H 1.800 . 3.800 2.857 2.670 3.110 . 0 0 "[ . 1 . 2 . ]" 1
1028 1 87 LYS HA 1 89 GLN H 1.800 . 5.500 4.146 3.703 4.961 . 0 0 "[ . 1 . 2 . ]" 1
1029 1 87 LYS HA 1 90 HIS HB3 2.500 2.500 5.500 4.016 2.488 5.500 0.012 27 0 "[ . 1 . 2 . ]" 1
1030 1 87 LYS HA 1 90 HIS HB2 1.800 . 4.800 3.364 2.061 4.820 0.020 23 0 "[ . 1 . 2 . ]" 1
1031 1 87 LYS HA 1 90 HIS HD2 1.800 . 5.500 4.589 2.401 5.519 0.019 15 0 "[ . 1 . 2 . ]" 1
1032 1 87 LYS HA 1 90 HIS H 1.800 . 5.500 3.608 3.222 3.985 . 0 0 "[ . 1 . 2 . ]" 1
1033 1 87 LYS QB 1 88 LEU H 1.800 . 4.800 2.615 1.919 3.503 . 0 0 "[ . 1 . 2 . ]" 1
1034 1 87 LYS HD2 1 89 GLN H 1.800 . 4.800 4.775 4.590 4.914 0.114 14 0 "[ . 1 . 2 . ]" 1
1035 1 87 LYS HD2 1 90 HIS H 1.800 . 5.500 5.071 4.105 5.511 0.011 25 0 "[ . 1 . 2 . ]" 1
1036 1 87 LYS QG 1 88 LEU H 1.800 . 5.500 3.007 1.842 4.206 . 0 0 "[ . 1 . 2 . ]" 1
1037 1 87 LYS QG 1 89 GLN H 1.800 . 5.500 4.914 4.176 5.541 0.041 2 0 "[ . 1 . 2 . ]" 1
1038 1 87 LYS H 1 87 LYS QG 1.800 . 4.800 3.394 2.115 4.046 . 0 0 "[ . 1 . 2 . ]" 1
1039 1 87 LYS H 1 88 LEU H 1.800 . 4.800 2.815 2.569 3.116 . 0 0 "[ . 1 . 2 . ]" 1
1040 1 88 LEU HA 1 89 GLN H 1.800 . 4.800 3.459 3.327 3.558 . 0 0 "[ . 1 . 2 . ]" 1
1041 1 88 LEU HA 1 90 HIS H 1.800 . 5.500 4.345 3.750 5.438 . 0 0 "[ . 1 . 2 . ]" 1
1042 1 88 LEU QB 1 89 GLN H 1.800 . 4.800 2.947 2.257 3.845 . 0 0 "[ . 1 . 2 . ]" 1
1043 1 88 LEU H 1 89 GLN H 1.800 . 5.500 2.633 2.344 2.828 . 0 0 "[ . 1 . 2 . ]" 1
1044 1 89 GLN HA 1 90 HIS H 1.800 . 4.800 3.494 3.200 3.572 . 0 0 "[ . 1 . 2 . ]" 1
1045 1 89 GLN HB3 1 90 HIS QB 1.800 . 4.800 4.568 3.884 4.855 0.055 4 0 "[ . 1 . 2 . ]" 1
1046 1 89 GLN QB 1 90 HIS H 1.800 . 4.800 2.778 2.220 3.509 . 0 0 "[ . 1 . 2 . ]" 1
1047 1 89 GLN H 1 90 HIS H 1.800 . 4.800 2.497 2.279 2.759 . 0 0 "[ . 1 . 2 . ]" 1
1048 1 9 GLN HA 1 10 MET H 1.800 . 5.500 3.284 2.587 3.584 . 0 0 "[ . 1 . 2 . ]" 1
1049 1 9 GLN HA 1 9 GLN QG 1.800 . 4.300 3.165 2.572 3.479 . 0 0 "[ . 1 . 2 . ]" 1
1050 1 9 GLN HE21 1 10 MET HB3 1.800 . 4.800 3.880 2.749 4.818 0.018 4 0 "[ . 1 . 2 . ]" 1
1051 1 9 GLN HE21 1 10 MET HB2 1.800 . 4.800 3.468 1.980 4.581 . 0 0 "[ . 1 . 2 . ]" 1
1052 1 9 GLN HE21 1 42 SER HB3 1.800 . 4.800 3.218 1.959 4.838 0.038 9 0 "[ . 1 . 2 . ]" 1
1053 1 9 GLN HE21 1 43 LYS HA 3.000 3.000 5.500 4.942 4.075 5.516 0.016 9 0 "[ . 1 . 2 . ]" 1
1054 1 9 GLN HE21 1 43 LYS HB3 1.800 . 5.500 3.382 2.138 4.496 . 0 0 "[ . 1 . 2 . ]" 1
1055 1 9 GLN HE21 1 43 LYS H 1.800 . 4.800 2.465 1.953 3.498 . 0 0 "[ . 1 . 2 . ]" 1
1056 1 9 GLN HE22 1 10 MET HB3 1.800 . 5.500 4.944 3.469 5.525 0.025 11 0 "[ . 1 . 2 . ]" 1
1057 1 9 GLN HE22 1 10 MET HB2 1.800 . 5.500 4.596 3.009 5.520 0.020 7 0 "[ . 1 . 2 . ]" 1
1058 1 9 GLN HE22 1 43 LYS HB3 1.800 . 5.500 3.721 2.011 5.473 . 0 0 "[ . 1 . 2 . ]" 1
1059 1 9 GLN HE22 1 43 LYS H 1.800 . 3.800 2.870 1.960 3.811 0.011 27 0 "[ . 1 . 2 . ]" 1
1060 1 9 GLN QG 1 10 MET H 1.800 . 5.500 3.255 1.978 4.560 . 0 0 "[ . 1 . 2 . ]" 1
1061 1 9 GLN QG 1 43 LYS H 2.500 2.500 5.500 4.224 3.053 5.454 . 0 0 "[ . 1 . 2 . ]" 1
1062 1 9 GLN H 1 10 MET H 1.800 . 4.300 2.671 1.819 3.884 . 0 0 "[ . 1 . 2 . ]" 1
1063 1 9 GLN H 1 42 SER HB3 1.800 . 5.500 4.212 2.788 5.523 0.023 25 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 118
_Distance_constraint_stats_list.Viol_count 524
_Distance_constraint_stats_list.Viol_total 282.391
_Distance_constraint_stats_list.Viol_max 0.115
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0186
_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 1 MET 0.097 0.035 10 0 "[ . 1 . 2 . ]"
1 2 THR 0.368 0.040 22 0 "[ . 1 . 2 . ]"
1 4 ASN 0.039 0.010 2 0 "[ . 1 . 2 . ]"
1 6 THR 0.007 0.007 13 0 "[ . 1 . 2 . ]"
1 7 SER 0.508 0.057 9 0 "[ . 1 . 2 . ]"
1 8 LYS 0.350 0.052 9 0 "[ . 1 . 2 . ]"
1 13 THR 0.030 0.022 28 0 "[ . 1 . 2 . ]"
1 14 PRO 0.299 0.024 15 0 "[ . 1 . 2 . ]"
1 15 ALA 0.067 0.028 6 0 "[ . 1 . 2 . ]"
1 16 ILE 0.030 0.022 28 0 "[ . 1 . 2 . ]"
1 17 ARG 0.054 0.012 29 0 "[ . 1 . 2 . ]"
1 18 GLN 0.311 0.024 15 0 "[ . 1 . 2 . ]"
1 19 HIS 0.200 0.042 2 0 "[ . 1 . 2 . ]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 21 ALA 0.087 0.012 29 0 "[ . 1 . 2 . ]"
1 22 ASP 0.070 0.022 25 0 "[ . 1 . 2 . ]"
1 23 ARG 0.171 0.042 2 0 "[ . 1 . 2 . ]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 25 ALA 0.081 0.011 5 0 "[ . 1 . 2 . ]"
1 26 LYS 0.094 0.022 25 0 "[ . 1 . 2 . ]"
1 27 LEU 0.092 0.014 27 0 "[ . 1 . 2 . ]"
1 28 GLU 0.049 0.011 6 0 "[ . 1 . 2 . ]"
1 29 LYS 0.035 0.010 28 0 "[ . 1 . 2 . ]"
1 30 TRP 1.195 0.080 13 0 "[ . 1 . 2 . ]"
1 32 THR 1.141 0.080 13 0 "[ . 1 . 2 . ]"
1 34 LEU 0.097 0.035 10 0 "[ . 1 . 2 . ]"
1 35 ILE 0.931 0.063 19 0 "[ . 1 . 2 . ]"
1 37 PRO 0.036 0.010 2 0 "[ . 1 . 2 . ]"
1 38 HIS 0.006 0.006 6 0 "[ . 1 . 2 . ]"
1 39 ILE 0.010 0.007 13 0 "[ . 1 . 2 . ]"
1 40 ILE 0.014 0.010 15 0 "[ . 1 . 2 . ]"
1 41 LEU 0.508 0.057 9 0 "[ . 1 . 2 . ]"
1 42 SER 0.455 0.052 9 0 "[ . 1 . 2 . ]"
1 44 GLU 0.061 0.019 21 0 "[ . 1 . 2 . ]"
1 47 GLY 0.061 0.019 21 0 "[ . 1 . 2 . ]"
1 48 PHE 1.948 0.115 9 0 "[ . 1 . 2 . ]"
1 49 VAL 0.105 0.031 8 0 "[ . 1 . 2 . ]"
1 50 ALA 0.036 0.010 22 0 "[ . 1 . 2 . ]"
1 51 ASP 0.014 0.010 15 0 "[ . 1 . 2 . ]"
1 52 ALA 0.037 0.010 15 0 "[ . 1 . 2 . ]"
1 53 THR 0.006 0.006 6 0 "[ . 1 . 2 . ]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 55 ASN 0.564 0.063 19 0 "[ . 1 . 2 . ]"
1 56 THR 0.089 0.022 23 0 "[ . 1 . 2 . ]"
1 59 GLY 0.089 0.022 23 0 "[ . 1 . 2 . ]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2 . ]"
1 63 ALA 0.037 0.010 15 0 "[ . 1 . 2 . ]"
1 65 GLY 0.036 0.010 22 0 "[ . 1 . 2 . ]"
1 67 HIS 1.948 0.115 9 0 "[ . 1 . 2 . ]"
1 69 ASP 0.278 0.040 20 0 "[ . 1 . 2 . ]"
1 70 MET 0.455 0.057 13 0 "[ . 1 . 2 . ]"
1 71 TYR 0.102 0.031 22 0 "[ . 1 . 2 . ]"
1 72 THR 0.007 0.005 26 0 "[ . 1 . 2 . ]"
1 73 ALA 0.482 0.040 20 0 "[ . 1 . 2 . ]"
1 74 ILE 0.593 0.057 13 0 "[ . 1 . 2 . ]"
1 75 ASN 0.506 0.060 22 0 "[ . 1 . 2 . ]"
1 76 GLU 0.369 0.043 21 0 "[ . 1 . 2 . ]"
1 77 LEU 0.352 0.045 4 0 "[ . 1 . 2 . ]"
1 78 ILE 0.158 0.036 11 0 "[ . 1 . 2 . ]"
1 79 ASN 0.850 0.060 22 0 "[ . 1 . 2 . ]"
1 80 LYS 0.548 0.043 21 0 "[ . 1 . 2 . ]"
1 81 LEU 0.147 0.045 4 0 "[ . 1 . 2 . ]"
1 82 GLU 0.060 0.019 23 0 "[ . 1 . 2 . ]"
1 83 ARG 0.797 0.050 23 0 "[ . 1 . 2 . ]"
1 84 GLN 0.345 0.042 6 0 "[ . 1 . 2 . ]"
1 85 LEU 0.022 0.022 21 0 "[ . 1 . 2 . ]"
1 86 ASN 0.225 0.042 23 0 "[ . 1 . 2 . ]"
1 87 LYS 0.351 0.049 17 0 "[ . 1 . 2 . ]"
1 88 LEU 0.159 0.036 22 0 "[ . 1 . 2 . ]"
1 89 GLN 0.022 0.022 21 0 "[ . 1 . 2 . ]"
1 90 HIS 0.184 0.042 23 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 85 LEU O 1 89 GLN N 2.850 2.400 3.300 2.748 2.503 3.098 . 0 0 "[ . 1 . 2 . ]" 2
2 1 85 LEU O 1 89 GLN H 1.800 . 2.300 1.964 1.616 2.322 0.022 21 0 "[ . 1 . 2 . ]" 2
3 1 84 GLN O 1 88 LEU N 2.850 2.400 3.300 3.087 2.594 3.286 . 0 0 "[ . 1 . 2 . ]" 2
4 1 84 GLN O 1 88 LEU H 1.800 . 2.300 2.154 1.636 2.336 0.036 22 0 "[ . 1 . 2 . ]" 2
5 1 83 ARG O 1 87 LYS N 2.850 2.400 3.300 3.221 2.909 3.311 0.011 24 0 "[ . 1 . 2 . ]" 2
6 1 83 ARG O 1 87 LYS H 1.800 . 2.300 2.288 1.941 2.349 0.049 17 0 "[ . 1 . 2 . ]" 2
7 1 82 GLU O 1 86 ASN N 2.850 2.400 3.300 3.014 2.655 3.293 . 0 0 "[ . 1 . 2 . ]" 2
8 1 82 GLU O 1 86 ASN H 1.800 . 2.300 2.111 1.773 2.319 0.019 23 0 "[ . 1 . 2 . ]" 2
9 1 81 LEU O 1 85 LEU N 2.850 2.400 3.300 2.767 2.512 3.255 . 0 0 "[ . 1 . 2 . ]" 2
10 1 81 LEU O 1 85 LEU H 1.800 . 2.300 1.920 1.619 2.279 . 0 0 "[ . 1 . 2 . ]" 2
11 1 80 LYS O 1 84 GLN N 2.850 2.400 3.300 3.125 2.817 3.302 0.002 6 0 "[ . 1 . 2 . ]" 2
12 1 80 LYS O 1 84 GLN H 1.800 . 2.300 2.187 1.882 2.342 0.042 6 0 "[ . 1 . 2 . ]" 2
13 1 79 ASN O 1 83 ARG N 2.850 2.400 3.300 3.259 3.173 3.301 0.001 17 0 "[ . 1 . 2 . ]" 2
14 1 79 ASN O 1 83 ARG H 1.800 . 2.300 2.304 2.202 2.350 0.050 23 0 "[ . 1 . 2 . ]" 2
15 1 78 ILE O 1 82 GLU N 2.850 2.400 3.300 2.964 2.622 3.241 . 0 0 "[ . 1 . 2 . ]" 2
16 1 78 ILE O 1 82 GLU H 1.800 . 2.300 2.071 1.679 2.313 0.013 17 0 "[ . 1 . 2 . ]" 2
17 1 77 LEU O 1 81 LEU N 2.850 2.400 3.300 3.136 2.859 3.304 0.004 20 0 "[ . 1 . 2 . ]" 2
18 1 77 LEU O 1 81 LEU H 1.800 . 2.300 2.200 1.905 2.345 0.045 4 0 "[ . 1 . 2 . ]" 2
19 1 76 GLU O 1 80 LYS N 2.850 2.400 3.300 3.210 2.950 3.300 . 0 0 "[ . 1 . 2 . ]" 2
20 1 76 GLU O 1 80 LYS H 1.800 . 2.300 2.264 1.970 2.343 0.043 21 0 "[ . 1 . 2 . ]" 2
21 1 75 ASN O 1 79 ASN N 2.850 2.400 3.300 3.159 2.736 3.306 0.006 24 0 "[ . 1 . 2 . ]" 2
22 1 75 ASN O 1 79 ASN H 1.800 . 2.300 2.239 1.789 2.360 0.060 22 0 "[ . 1 . 2 . ]" 2
23 1 74 ILE O 1 78 ILE N 2.850 2.400 3.300 3.086 2.734 3.272 . 0 0 "[ . 1 . 2 . ]" 2
24 1 74 ILE O 1 78 ILE H 1.800 . 2.300 2.179 1.781 2.336 0.036 11 0 "[ . 1 . 2 . ]" 2
25 1 73 ALA O 1 77 LEU N 2.850 2.400 3.300 3.092 2.885 3.232 . 0 0 "[ . 1 . 2 . ]" 2
26 1 73 ALA O 1 77 LEU H 1.800 . 2.300 2.225 1.944 2.331 0.031 5 0 "[ . 1 . 2 . ]" 2
27 1 20 VAL O 1 24 LEU N 2.850 2.400 3.300 2.765 2.567 3.224 . 0 0 "[ . 1 . 2 . ]" 2
28 1 20 VAL O 1 24 LEU H 1.800 . 2.300 1.835 1.648 2.289 . 0 0 "[ . 1 . 2 . ]" 2
29 1 19 HIS O 1 23 ARG N 2.850 2.400 3.300 3.158 2.906 3.282 . 0 0 "[ . 1 . 2 . ]" 2
30 1 19 HIS O 1 23 ARG H 1.800 . 2.300 2.227 1.943 2.342 0.042 2 0 "[ . 1 . 2 . ]" 2
31 1 18 GLN O 1 22 ASP N 2.850 2.400 3.300 3.006 2.737 3.276 . 0 0 "[ . 1 . 2 . ]" 2
32 1 18 GLN O 1 22 ASP H 1.800 . 2.300 2.095 1.898 2.308 0.008 6 0 "[ . 1 . 2 . ]" 2
33 1 17 ARG O 1 21 ALA N 2.850 2.400 3.300 3.049 2.830 3.217 . 0 0 "[ . 1 . 2 . ]" 2
34 1 17 ARG O 1 21 ALA H 1.800 . 2.300 2.203 1.902 2.312 0.012 29 0 "[ . 1 . 2 . ]" 2
35 1 16 ILE O 1 20 VAL N 2.850 2.400 3.300 3.020 2.622 3.256 . 0 0 "[ . 1 . 2 . ]" 2
36 1 16 ILE O 1 20 VAL H 1.800 . 2.300 2.067 1.694 2.290 . 0 0 "[ . 1 . 2 . ]" 2
37 1 15 ALA O 1 19 HIS N 2.850 2.400 3.300 3.097 2.640 3.279 . 0 0 "[ . 1 . 2 . ]" 2
38 1 15 ALA O 1 19 HIS H 1.800 . 2.300 2.187 1.691 2.328 0.028 6 0 "[ . 1 . 2 . ]" 2
39 1 40 ILE N 1 51 ASP O 2.850 2.400 3.300 2.861 2.588 3.148 . 0 0 "[ . 1 . 2 . ]" 2
40 1 40 ILE O 1 51 ASP N 2.850 2.400 3.300 2.718 2.553 3.078 . 0 0 "[ . 1 . 2 . ]" 2
41 1 40 ILE H 1 51 ASP O 1.800 . 2.300 2.005 1.658 2.310 0.010 15 0 "[ . 1 . 2 . ]" 2
42 1 40 ILE O 1 51 ASP H 1.800 . 2.300 1.810 1.632 2.149 . 0 0 "[ . 1 . 2 . ]" 2
43 1 42 SER N 1 49 VAL O 2.850 2.400 3.300 3.094 2.716 3.307 0.007 8 0 "[ . 1 . 2 . ]" 2
44 1 42 SER O 1 49 VAL N 2.850 2.400 3.300 2.757 2.561 3.064 . 0 0 "[ . 1 . 2 . ]" 2
45 1 42 SER H 1 49 VAL O 1.800 . 2.300 2.134 1.737 2.331 0.031 8 0 "[ . 1 . 2 . ]" 2
46 1 42 SER O 1 49 VAL H 1.800 . 2.300 1.808 1.592 2.133 . 0 0 "[ . 1 . 2 . ]" 2
47 1 48 PHE O 1 67 HIS N 2.850 2.400 3.300 3.262 3.203 3.305 0.005 2 0 "[ . 1 . 2 . ]" 2
48 1 48 PHE N 1 67 HIS O 2.850 2.400 3.300 2.659 2.535 3.139 . 0 0 "[ . 1 . 2 . ]" 2
49 1 48 PHE O 1 67 HIS H 1.800 . 2.300 2.367 2.327 2.415 0.115 9 0 "[ . 1 . 2 . ]" 2
50 1 48 PHE H 1 67 HIS O 1.800 . 2.300 1.723 1.577 2.302 0.002 18 0 "[ . 1 . 2 . ]" 2
51 1 50 ALA O 1 65 GLY N 2.850 2.400 3.300 2.774 2.551 3.117 . 0 0 "[ . 1 . 2 . ]" 2
52 1 50 ALA N 1 65 GLY O 2.850 2.400 3.300 2.922 2.575 3.256 . 0 0 "[ . 1 . 2 . ]" 2
53 1 50 ALA O 1 65 GLY H 1.800 . 2.300 1.885 1.626 2.238 . 0 0 "[ . 1 . 2 . ]" 2
54 1 50 ALA H 1 65 GLY O 1.800 . 2.300 2.032 1.659 2.310 0.010 22 0 "[ . 1 . 2 . ]" 2
55 1 52 ALA O 1 63 ALA N 2.850 2.400 3.300 2.685 2.512 3.015 . 0 0 "[ . 1 . 2 . ]" 2
56 1 52 ALA N 1 63 ALA O 2.850 2.400 3.300 2.836 2.557 3.284 . 0 0 "[ . 1 . 2 . ]" 2
57 1 52 ALA O 1 63 ALA H 1.800 . 2.300 1.841 1.579 2.310 0.010 15 0 "[ . 1 . 2 . ]" 2
58 1 52 ALA H 1 63 ALA O 1.800 . 2.300 1.895 1.638 2.306 0.006 28 0 "[ . 1 . 2 . ]" 2
59 1 54 ILE O 1 61 LEU N 2.850 2.400 3.300 2.734 2.550 3.040 . 0 0 "[ . 1 . 2 . ]" 2
60 1 54 ILE N 1 61 LEU O 2.850 2.400 3.300 2.917 2.595 3.183 . 0 0 "[ . 1 . 2 . ]" 2
61 1 54 ILE O 1 61 LEU H 1.800 . 2.300 1.916 1.618 2.233 . 0 0 "[ . 1 . 2 . ]" 2
62 1 54 ILE H 1 61 LEU O 1.800 . 2.300 1.965 1.620 2.281 . 0 0 "[ . 1 . 2 . ]" 2
63 1 38 HIS N 1 53 THR O 2.850 2.400 3.300 2.695 2.555 3.027 . 0 0 "[ . 1 . 2 . ]" 2
64 1 38 HIS O 1 53 THR N 2.850 2.400 3.300 2.679 2.521 2.988 . 0 0 "[ . 1 . 2 . ]" 2
65 1 38 HIS H 1 53 THR O 1.800 . 2.300 1.804 1.653 2.121 . 0 0 "[ . 1 . 2 . ]" 2
66 1 38 HIS O 1 53 THR H 1.800 . 2.300 1.879 1.632 2.306 0.006 6 0 "[ . 1 . 2 . ]" 2
67 1 72 THR O 1 76 GLU N 2.850 2.400 3.300 3.037 2.572 3.279 . 0 0 "[ . 1 . 2 . ]" 2
68 1 72 THR O 1 76 GLU H 1.800 . 2.300 2.120 1.631 2.305 0.005 26 0 "[ . 1 . 2 . ]" 2
69 1 71 TYR O 1 75 ASN N 2.850 2.400 3.300 3.063 2.587 3.295 . 0 0 "[ . 1 . 2 . ]" 2
70 1 71 TYR O 1 75 ASN H 1.800 . 2.300 2.164 1.814 2.331 0.031 22 0 "[ . 1 . 2 . ]" 2
71 1 70 MET O 1 74 ILE N 2.850 2.400 3.300 3.194 3.069 3.287 . 0 0 "[ . 1 . 2 . ]" 2
72 1 70 MET O 1 74 ILE H 1.800 . 2.300 2.306 2.184 2.357 0.057 13 0 "[ . 1 . 2 . ]" 2
73 1 69 ASP O 1 73 ALA N 2.850 2.400 3.300 3.043 2.866 3.222 . 0 0 "[ . 1 . 2 . ]" 2
74 1 69 ASP O 1 73 ALA H 1.800 . 2.300 2.271 2.034 2.340 0.040 20 0 "[ . 1 . 2 . ]" 2
75 1 14 PRO O 1 18 GLN N 2.850 2.400 3.300 3.123 2.950 3.245 . 0 0 "[ . 1 . 2 . ]" 2
76 1 14 PRO O 1 18 GLN H 1.800 . 2.300 2.304 2.154 2.324 0.024 15 0 "[ . 1 . 2 . ]" 2
77 1 4 ASN H 1 37 PRO O 1.800 . 2.300 2.079 1.696 2.310 0.010 2 0 "[ . 1 . 2 . ]" 2
78 1 4 ASN N 1 37 PRO O 2.850 2.400 3.300 2.887 2.595 3.166 . 0 0 "[ . 1 . 2 . ]" 2
79 1 4 ASN O 1 39 ILE H 1.800 . 2.300 1.954 1.615 2.302 0.002 15 0 "[ . 1 . 2 . ]" 2
80 1 4 ASN O 1 39 ILE N 2.850 2.400 3.300 2.713 2.582 3.090 . 0 0 "[ . 1 . 2 . ]" 2
81 1 6 THR H 1 39 ILE O 1.800 . 2.300 2.010 1.681 2.307 0.007 13 0 "[ . 1 . 2 . ]" 2
82 1 6 THR N 1 39 ILE O 2.850 2.400 3.300 2.853 2.575 3.163 . 0 0 "[ . 1 . 2 . ]" 2
83 1 44 GLU O 1 47 GLY N 2.850 2.400 3.300 2.787 2.558 2.963 . 0 0 "[ . 1 . 2 . ]" 2
84 1 44 GLU H 1 47 GLY O 1.800 . 2.300 2.149 1.875 2.319 0.019 21 0 "[ . 1 . 2 . ]" 2
85 1 44 GLU O 1 47 GLY H 1.800 . 2.300 2.086 1.681 2.304 0.004 14 0 "[ . 1 . 2 . ]" 2
86 1 44 GLU N 1 47 GLY O 2.850 2.400 3.300 2.839 2.611 3.014 . 0 0 "[ . 1 . 2 . ]" 2
87 1 13 THR O 1 17 ARG N 2.850 2.400 3.300 2.768 2.548 3.033 . 0 0 "[ . 1 . 2 . ]" 2
88 1 13 THR O 1 17 ARG H 1.800 . 2.300 1.802 1.613 2.059 . 0 0 "[ . 1 . 2 . ]" 2
89 1 30 TRP O 1 32 THR H 1.800 . 2.300 2.227 1.679 2.380 0.080 13 0 "[ . 1 . 2 . ]" 2
90 1 30 TRP O 1 32 THR N 2.850 2.400 3.300 2.687 2.524 3.082 . 0 0 "[ . 1 . 2 . ]" 2
91 1 35 ILE N 1 55 ASN O 2.850 2.400 3.300 3.190 2.860 3.280 . 0 0 "[ . 1 . 2 . ]" 2
92 1 35 ILE H 1 55 ASN O 1.800 . 2.300 2.296 1.887 2.363 0.063 19 0 "[ . 1 . 2 . ]" 2
93 1 21 ALA O 1 25 ALA N 2.850 2.400 3.300 2.987 2.617 3.281 . 0 0 "[ . 1 . 2 . ]" 2
94 1 21 ALA O 1 25 ALA H 1.800 . 2.300 2.128 1.711 2.311 0.011 5 0 "[ . 1 . 2 . ]" 2
95 1 22 ASP O 1 26 LYS N 2.850 2.400 3.300 3.102 2.733 3.278 . 0 0 "[ . 1 . 2 . ]" 2
96 1 22 ASP O 1 26 LYS H 1.800 . 2.300 2.168 1.815 2.322 0.022 25 0 "[ . 1 . 2 . ]" 2
97 1 23 ARG O 1 27 LEU N 2.850 2.400 3.300 2.935 2.581 3.272 . 0 0 "[ . 1 . 2 . ]" 2
98 1 23 ARG O 1 27 LEU H 1.800 . 2.300 2.066 1.696 2.314 0.014 27 0 "[ . 1 . 2 . ]" 2
99 1 25 ALA O 1 28 GLU N 2.850 2.400 3.300 3.062 2.722 3.234 . 0 0 "[ . 1 . 2 . ]" 2
100 1 25 ALA O 1 28 GLU H 1.800 . 2.300 2.203 1.774 2.311 0.011 6 0 "[ . 1 . 2 . ]" 2
101 1 26 LYS O 1 29 LYS H 1.800 . 2.300 2.118 1.811 2.310 0.010 28 0 "[ . 1 . 2 . ]" 2
102 1 26 LYS O 1 29 LYS N 2.850 2.400 3.300 3.061 2.765 3.280 . 0 0 "[ . 1 . 2 . ]" 2
103 1 27 LEU O 1 30 TRP H 1.800 . 2.300 2.146 1.721 2.312 0.012 8 0 "[ . 1 . 2 . ]" 2
104 1 27 LEU O 1 30 TRP N 2.850 2.400 3.300 2.945 2.661 3.156 . 0 0 "[ . 1 . 2 . ]" 2
105 1 8 LYS N 1 42 SER OG 2.850 2.400 3.300 3.088 2.700 3.220 . 0 0 "[ . 1 . 2 . ]" 2
106 1 8 LYS H 1 42 SER OG 1.800 . 2.300 2.261 1.786 2.352 0.052 9 0 "[ . 1 . 2 . ]" 2
107 1 56 THR O 1 59 GLY N 2.850 2.400 3.300 2.949 2.539 3.263 . 0 0 "[ . 1 . 2 . ]" 2
108 1 56 THR O 1 59 GLY H 1.800 . 2.300 2.144 1.713 2.322 0.022 23 0 "[ . 1 . 2 . ]" 2
109 1 2 THR N 1 35 ILE O 2.850 2.400 3.300 3.180 2.702 3.311 0.011 2 0 "[ . 1 . 2 . ]" 2
110 1 2 THR H 1 35 ILE O 1.800 . 2.300 2.249 1.756 2.340 0.040 22 0 "[ . 1 . 2 . ]" 2
111 1 13 THR OG1 1 16 ILE N 3.000 2.550 3.450 3.277 3.079 3.472 0.022 28 0 "[ . 1 . 2 . ]" 2
112 1 13 THR OG1 1 16 ILE H 1.800 . 2.500 2.334 2.131 2.508 0.008 19 0 "[ . 1 . 2 . ]" 2
113 1 7 SER OG 1 41 LEU H 1.800 . 2.500 2.514 2.424 2.557 0.057 9 0 "[ . 1 . 2 . ]" 2
114 1 7 SER OG 1 41 LEU N 3.000 2.550 3.450 3.210 3.089 3.316 . 0 0 "[ . 1 . 2 . ]" 2
115 1 1 MET H1 1 34 LEU O 1.800 . 2.300 2.087 1.654 2.335 0.035 10 0 "[ . 1 . 2 . ]" 2
116 1 1 MET N 1 34 LEU O 2.850 2.400 3.300 2.831 2.464 3.235 . 0 0 "[ . 1 . 2 . ]" 2
117 1 86 ASN O 1 90 HIS H 1.800 . 2.300 2.130 1.743 2.342 0.042 23 0 "[ . 1 . 2 . ]" 2
118 1 86 ASN O 1 90 HIS N 2.850 2.400 3.300 2.928 2.635 3.271 . 0 0 "[ . 1 . 2 . ]" 2
stop_
save_
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