NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483103 |
1vd4   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vd4
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 883
_Distance_constraint_stats_list.Viol_count 392
_Distance_constraint_stats_list.Viol_total 2067.507
_Distance_constraint_stats_list.Viol_max 1.592
_Distance_constraint_stats_list.Viol_rms 0.0627
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.2637
_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 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 38.780 1.592 18 20 [-****************+**]
1 14 SER 7.242 0.555 6 2 "[ .+ 1 . - 2]"
1 15 PHE 21.838 1.592 18 19 "[ ****************+**]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 1.740 0.105 16 0 "[ . 1 . 2]"
1 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 9.001 0.383 4 0 "[ . 1 . 2]"
1 20 CYS 23.823 0.909 5 20 [****+**-************]
1 21 SER 19.335 0.909 5 20 [****+**-************]
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 9.242 0.512 1 4 "[+ -.* 1 * . 2]"
1 24 PHE 9.329 0.512 1 4 "[+ -.* 1 * . 2]"
1 25 THR 23.598 1.065 15 19 "[ *********-***+*****]"
1 26 ASP 0.494 0.065 11 0 "[ . 1 . 2]"
1 27 LEU 3.896 0.778 13 3 "[ .-* 1 + . 2]"
1 28 GLU 0.800 0.142 5 0 "[ . 1 . 2]"
1 29 ALA 0.113 0.059 9 0 "[ . 1 . 2]"
1 30 ASN 2.397 0.778 13 3 "[ .-* 1 + . 2]"
1 31 GLN 0.742 0.267 3 0 "[ . 1 . 2]"
1 32 LEU 2.307 0.218 16 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 1.859 0.295 19 0 "[ . 1 . 2]"
1 37 THR 0.033 0.033 19 0 "[ . 1 . 2]"
1 38 GLY 1.893 0.295 19 0 "[ . 1 . 2]"
1 39 THR 0.003 0.003 19 0 "[ . 1 . 2]"
1 40 PHE 0.036 0.022 14 0 "[ . 1 . 2]"
1 41 ARG 8.260 0.494 19 0 "[ . 1 . 2]"
1 42 CYS 1.475 0.085 3 0 "[ . 1 . 2]"
1 43 THR 2.506 0.218 16 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 CYS 1.153 0.561 2 1 "[ + . 1 . 2]"
1 46 HIS 1.320 0.561 2 1 "[ + . 1 . 2]"
1 47 THR 12.352 0.494 19 0 "[ . 1 . 2]"
1 48 GLU 0.003 0.003 19 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 19 0 "[ . 1 . 2]"
1 50 GLU 0.008 0.003 9 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 1.125 0.560 1 1 "[+ . 1 . 2]"
1 53 GLU 0.000 0.000 15 0 "[ . 1 . 2]"
1 54 SER 0.001 0.001 16 0 "[ . 1 . 2]"
1 55 ALA 0.013 0.013 18 0 "[ . 1 . 2]"
1 56 MET 0.012 0.012 6 0 "[ . 1 . 2]"
1 57 PRO 0.012 0.012 6 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 2 ILE H 1 3 GLU H 3.400 . 5.000 3.571 1.947 4.666 . 0 0 "[ . 1 . 2]" 1
2 1 7 ARG QB 1 8 ASP H 2.900 . 5.000 2.800 1.833 3.915 . 0 0 "[ . 1 . 2]" 1
3 1 7 ARG QG 1 8 ASP H 2.900 . 5.000 3.267 1.888 3.926 . 0 0 "[ . 1 . 2]" 1
4 1 7 ARG HA 1 9 SER H 3.400 . 5.000 4.348 3.647 4.909 . 0 0 "[ . 1 . 2]" 1
5 1 8 ASP QB 1 9 SER H 3.400 . 6.000 3.222 1.804 4.063 . 0 0 "[ . 1 . 2]" 1
6 1 9 SER H 1 10 THR MG 3.400 . 6.500 4.599 2.901 5.409 . 0 0 "[ . 1 . 2]" 1
7 1 9 SER HA 1 10 THR H 2.900 . 4.000 2.583 2.214 3.521 . 0 0 "[ . 1 . 2]" 1
8 1 9 SER QB 1 10 THR H 3.400 . 6.000 3.524 2.345 4.079 . 0 0 "[ . 1 . 2]" 1
9 1 9 SER HA 1 11 ASN H 3.400 . 5.000 4.104 3.056 4.998 . 0 0 "[ . 1 . 2]" 1
10 1 10 THR MG 1 11 ASN H 3.400 . 6.500 3.418 1.949 4.321 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG H 1 13 ALA H 3.400 . 5.000 4.011 2.227 4.705 . 0 0 "[ . 1 . 2]" 1
12 1 11 ASN QB 1 12 ARG H 3.400 . 6.000 3.274 1.842 4.069 . 0 0 "[ . 1 . 2]" 1
13 1 10 THR HG1 1 12 ARG H 3.400 . 6.500 4.322 3.018 5.134 . 0 0 "[ . 1 . 2]" 1
14 1 12 ARG HA 1 13 ALA MB 3.400 . 6.500 4.027 3.598 4.752 . 0 0 "[ . 1 . 2]" 1
15 1 12 ARG HA 1 13 ALA H 2.900 . 4.000 2.595 2.209 3.572 . 0 0 "[ . 1 . 2]" 1
16 1 12 ARG QD 1 13 ALA H 3.400 . 6.000 4.386 1.841 5.408 . 0 0 "[ . 1 . 2]" 1
17 1 12 ARG QB 1 13 ALA H 2.900 . 5.000 3.030 1.884 4.013 . 0 0 "[ . 1 . 2]" 1
18 1 12 ARG QG 1 13 ALA H 3.400 . 6.000 3.385 2.080 4.382 . 0 0 "[ . 1 . 2]" 1
19 1 13 ALA H 1 14 SER H 3.400 . 5.000 4.344 2.583 4.649 . 0 0 "[ . 1 . 2]" 1
20 1 13 ALA H 1 26 ASP HB2 3.400 . 5.000 4.229 3.580 5.019 0.019 1 0 "[ . 1 . 2]" 1
21 1 13 ALA H 1 26 ASP HB3 3.400 . 5.000 2.632 1.887 3.562 . 0 0 "[ . 1 . 2]" 1
22 1 13 ALA HA 1 25 THR HA 2.900 . 4.000 4.930 3.533 5.065 1.065 15 19 "[ *********-***+*****]" 1
23 1 13 ALA MB 1 25 THR HA 3.400 . 6.500 3.795 3.222 5.169 . 0 0 "[ . 1 . 2]" 1
24 1 13 ALA MB 1 26 ASP HB3 3.400 . 6.000 2.510 1.735 4.653 0.065 11 0 "[ . 1 . 2]" 1
25 1 13 ALA MB 1 14 SER HA 3.400 . 6.500 4.028 3.832 4.402 . 0 0 "[ . 1 . 2]" 1
26 1 13 ALA HA 1 14 SER H 2.400 . 3.000 2.406 2.195 3.001 0.001 1 0 "[ . 1 . 2]" 1
27 1 13 ALA MB 1 14 SER H 2.900 . 5.500 2.844 1.841 3.534 . 0 0 "[ . 1 . 2]" 1
28 1 14 SER H 1 15 PHE H 2.900 . 4.000 4.052 3.097 4.555 0.555 6 2 "[ .+ 1 . - 2]" 1
29 1 14 SER H 1 25 THR HA 2.900 . 4.000 4.197 3.767 4.472 0.472 6 0 "[ . 1 . 2]" 1
30 1 14 SER HA 1 25 THR MG 2.900 . 5.500 2.533 2.087 3.110 . 0 0 "[ . 1 . 2]" 1
31 1 14 SER HA 1 25 THR HA 2.900 . 4.000 2.011 1.856 2.321 . 0 0 "[ . 1 . 2]" 1
32 1 14 SER HA 1 52 ASP HB3 3.400 . 5.000 4.755 4.270 5.001 0.001 11 0 "[ . 1 . 2]" 1
33 1 14 SER QB 1 23 THR MG 3.400 . 7.500 3.739 2.673 4.439 . 0 0 "[ . 1 . 2]" 1
34 1 14 SER QB 1 25 THR HA 2.900 . 5.000 3.611 2.599 3.910 . 0 0 "[ . 1 . 2]" 1
35 1 14 SER QB 1 52 ASP HB2 3.400 . 6.000 4.133 3.281 4.950 . 0 0 "[ . 1 . 2]" 1
36 1 14 SER QB 1 52 ASP HB3 3.400 . 6.000 2.905 2.030 3.596 . 0 0 "[ . 1 . 2]" 1
37 1 15 PHE H 1 15 PHE QE 3.400 . 7.000 4.156 3.793 4.537 . 0 0 "[ . 1 . 2]" 1
38 1 13 ALA HA 1 15 PHE H 3.400 . 5.000 5.917 4.748 6.592 1.592 18 19 "[ ****************+-*]" 1
39 1 13 ALA MB 1 15 PHE H 3.400 . 6.500 4.792 3.911 5.472 . 0 0 "[ . 1 . 2]" 1
40 1 14 SER HA 1 15 PHE H 2.400 . 3.000 2.248 2.206 2.458 . 0 0 "[ . 1 . 2]" 1
41 1 14 SER QB 1 15 PHE H 2.900 . 5.000 3.658 2.910 4.009 . 0 0 "[ . 1 . 2]" 1
42 1 15 PHE H 1 16 LYS H 3.400 . 5.000 4.546 4.466 4.610 . 0 0 "[ . 1 . 2]" 1
43 1 15 PHE H 1 25 THR HA 3.400 . 5.000 3.135 2.980 3.483 . 0 0 "[ . 1 . 2]" 1
44 1 15 PHE H 1 25 THR MG 3.400 . 6.500 4.000 3.515 4.516 . 0 0 "[ . 1 . 2]" 1
45 1 14 SER QB 1 15 PHE HA 3.400 . 6.000 4.594 4.156 4.956 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE HA 1 16 LYS HB2 3.400 . 5.000 4.584 4.297 4.711 . 0 0 "[ . 1 . 2]" 1
47 1 15 PHE HA 1 23 THR MG 3.400 . 6.500 4.316 4.190 4.566 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE HA 1 49 VAL HB 3.400 . 5.000 4.504 4.107 4.902 . 0 0 "[ . 1 . 2]" 1
49 1 15 PHE HA 1 49 VAL MG2 3.400 . 6.500 4.397 4.022 4.761 . 0 0 "[ . 1 . 2]" 1
50 1 15 PHE HA 1 52 ASP HA 3.400 . 5.000 4.612 4.149 5.097 0.097 3 0 "[ . 1 . 2]" 1
51 1 15 PHE HA 1 52 ASP HB3 3.400 . 5.000 4.052 3.263 4.602 . 0 0 "[ . 1 . 2]" 1
52 1 15 PHE HA 1 52 ASP HB2 3.400 . 5.000 3.495 2.612 3.908 . 0 0 "[ . 1 . 2]" 1
53 1 15 PHE QB 1 16 LYS HB3 3.400 . 6.000 5.014 4.787 5.165 . 0 0 "[ . 1 . 2]" 1
54 1 15 PHE QB 1 16 LYS HB2 3.400 . 6.000 5.259 4.958 5.443 . 0 0 "[ . 1 . 2]" 1
55 1 15 PHE QB 1 29 ALA MB 3.400 . 7.500 4.847 4.614 5.135 . 0 0 "[ . 1 . 2]" 1
56 1 15 PHE QB 1 32 LEU QD 2.900 . 8.900 3.956 3.500 4.168 . 0 0 "[ . 1 . 2]" 1
57 1 15 PHE QB 1 49 VAL MG1 3.400 . 7.500 3.616 3.308 3.869 . 0 0 "[ . 1 . 2]" 1
58 1 15 PHE QB 1 49 VAL MG2 2.900 . 6.500 2.179 1.817 2.509 . 0 0 "[ . 1 . 2]" 1
59 1 15 PHE QB 1 51 GLU HA 3.400 . 6.000 3.616 3.245 4.244 . 0 0 "[ . 1 . 2]" 1
60 1 15 PHE HA 1 15 PHE QD 2.900 . 6.000 2.851 1.924 3.097 . 0 0 "[ . 1 . 2]" 1
61 1 15 PHE QB 1 15 PHE QD 2.400 . 6.000 2.155 2.146 2.273 . 0 0 "[ . 1 . 2]" 1
62 1 15 PHE QD 1 24 PHE QD 2.900 . 8.000 4.255 4.042 4.410 . 0 0 "[ . 1 . 2]" 1
63 1 15 PHE QD 1 24 PHE QE 3.400 . 9.000 6.184 5.869 6.318 . 0 0 "[ . 1 . 2]" 1
64 1 15 PHE QD 1 40 PHE QD 3.400 . 9.000 3.511 2.601 4.158 . 0 0 "[ . 1 . 2]" 1
65 1 15 PHE QD 1 40 PHE QE 3.400 . 9.000 4.224 3.491 4.741 . 0 0 "[ . 1 . 2]" 1
66 1 14 SER H 1 15 PHE QD 3.400 . 7.000 4.357 3.371 5.079 . 0 0 "[ . 1 . 2]" 1
67 1 15 PHE QD 1 16 LYS H 3.400 . 7.000 4.273 4.011 4.453 . 0 0 "[ . 1 . 2]" 1
68 1 15 PHE QD 1 29 ALA H 3.400 . 7.000 4.522 3.876 5.008 . 0 0 "[ . 1 . 2]" 1
69 1 15 PHE QD 1 50 GLU H 3.400 . 7.000 4.834 4.238 5.367 . 0 0 "[ . 1 . 2]" 1
70 1 15 PHE QD 1 51 GLU H 3.400 . 7.000 3.372 2.790 4.161 . 0 0 "[ . 1 . 2]" 1
71 1 15 PHE QD 1 52 ASP H 3.400 . 7.000 4.341 3.275 4.886 . 0 0 "[ . 1 . 2]" 1
72 1 13 ALA MB 1 15 PHE QD 3.400 . 8.500 4.035 3.547 5.427 . 0 0 "[ . 1 . 2]" 1
73 1 14 SER HA 1 15 PHE QD 3.400 . 7.000 3.524 2.826 4.370 . 0 0 "[ . 1 . 2]" 1
74 1 15 PHE QD 1 24 PHE HB3 3.400 . 7.000 3.728 3.451 3.981 . 0 0 "[ . 1 . 2]" 1
75 1 15 PHE QD 1 24 PHE HB2 3.400 . 7.000 2.668 2.437 2.965 . 0 0 "[ . 1 . 2]" 1
76 1 15 PHE QD 1 25 THR HA 3.400 . 7.000 3.373 2.814 4.998 . 0 0 "[ . 1 . 2]" 1
77 1 15 PHE QD 1 26 ASP HA 3.400 . 7.000 4.725 4.339 5.664 . 0 0 "[ . 1 . 2]" 1
78 1 15 PHE QD 1 28 GLU HB2 3.400 . 7.000 4.013 3.761 4.725 . 0 0 "[ . 1 . 2]" 1
79 1 15 PHE QD 1 29 ALA HA 2.900 . 6.000 4.188 3.143 4.710 . 0 0 "[ . 1 . 2]" 1
80 1 15 PHE QD 1 29 ALA MB 2.900 . 7.500 3.494 3.134 3.735 . 0 0 "[ . 1 . 2]" 1
81 1 15 PHE QD 1 32 LEU QD 2.900 . 9.900 4.177 3.618 4.695 . 0 0 "[ . 1 . 2]" 1
82 1 15 PHE QD 1 40 PHE HB3 3.400 . 7.000 4.611 2.875 5.039 . 0 0 "[ . 1 . 2]" 1
83 1 15 PHE QD 1 49 VAL HB 3.400 . 7.000 4.623 4.074 5.054 . 0 0 "[ . 1 . 2]" 1
84 1 15 PHE QD 1 49 VAL MG1 3.400 . 8.500 5.161 4.665 5.443 . 0 0 "[ . 1 . 2]" 1
85 1 15 PHE QD 1 49 VAL MG2 2.400 . 6.500 3.388 2.954 3.834 . 0 0 "[ . 1 . 2]" 1
86 1 15 PHE QD 1 50 GLU HA 3.400 . 7.000 4.019 3.289 4.996 . 0 0 "[ . 1 . 2]" 1
87 1 15 PHE QD 1 51 GLU HA 2.900 . 6.000 2.596 1.916 3.291 . 0 0 "[ . 1 . 2]" 1
88 1 15 PHE QD 1 51 GLU QG 3.400 . 8.000 2.577 1.932 3.768 . 0 0 "[ . 1 . 2]" 1
89 1 15 PHE QE 1 40 PHE QE 3.400 . 9.000 2.898 1.939 3.703 . 0 0 "[ . 1 . 2]" 1
90 1 15 PHE QE 1 40 PHE QD 3.400 . 9.000 3.561 2.739 4.482 . 0 0 "[ . 1 . 2]" 1
91 1 14 SER H 1 15 PHE QE 3.400 . 7.000 4.160 3.195 5.174 . 0 0 "[ . 1 . 2]" 1
92 1 15 PHE QE 1 16 LYS H 3.400 . 7.000 6.378 6.147 6.510 . 0 0 "[ . 1 . 2]" 1
93 1 15 PHE QE 1 26 ASP H 3.400 . 7.000 4.082 3.367 6.134 . 0 0 "[ . 1 . 2]" 1
94 1 15 PHE QE 1 29 ALA H 3.400 . 7.000 3.696 3.213 4.412 . 0 0 "[ . 1 . 2]" 1
95 1 15 PHE QE 1 51 GLU H 3.400 . 7.000 4.764 4.204 5.290 . 0 0 "[ . 1 . 2]" 1
96 1 15 PHE QE 1 52 ASP H 3.400 . 7.000 5.622 5.026 5.995 . 0 0 "[ . 1 . 2]" 1
97 1 13 ALA MB 1 15 PHE QE 2.900 . 7.500 2.668 1.978 4.195 . 0 0 "[ . 1 . 2]" 1
98 1 14 SER HA 1 15 PHE QE 3.400 . 7.000 4.371 3.526 5.196 . 0 0 "[ . 1 . 2]" 1
99 1 15 PHE QE 1 24 PHE HB2 3.400 . 7.000 4.828 4.543 5.093 . 0 0 "[ . 1 . 2]" 1
100 1 15 PHE QE 1 25 THR HA 3.400 . 7.000 3.850 3.206 5.416 . 0 0 "[ . 1 . 2]" 1
101 1 15 PHE QE 1 26 ASP HA 2.900 . 6.000 2.776 2.124 4.455 . 0 0 "[ . 1 . 2]" 1
102 1 15 PHE QE 1 29 ALA HA 3.400 . 7.000 3.705 2.535 4.288 . 0 0 "[ . 1 . 2]" 1
103 1 15 PHE QE 1 29 ALA MB 2.900 . 7.500 1.994 1.741 2.402 0.059 9 0 "[ . 1 . 2]" 1
104 1 15 PHE QE 1 32 LEU QD 2.900 . 9.900 5.244 4.658 5.632 . 0 0 "[ . 1 . 2]" 1
105 1 15 PHE QE 1 40 PHE HB3 3.400 . 7.000 5.241 3.857 5.619 . 0 0 "[ . 1 . 2]" 1
106 1 15 PHE QE 1 49 VAL MG2 2.900 . 7.500 4.801 4.350 5.183 . 0 0 "[ . 1 . 2]" 1
107 1 15 PHE QE 1 51 GLU HA 3.400 . 7.000 4.008 3.619 4.411 . 0 0 "[ . 1 . 2]" 1
108 1 15 PHE QE 1 51 GLU QG 3.400 . 8.000 2.586 1.962 3.699 . 0 0 "[ . 1 . 2]" 1
109 1 15 PHE HZ 1 40 PHE QD 3.400 . 7.000 4.715 4.267 5.464 . 0 0 "[ . 1 . 2]" 1
110 1 15 PHE HZ 1 40 PHE QE 3.400 . 7.000 3.742 3.317 4.669 . 0 0 "[ . 1 . 2]" 1
111 1 13 ALA MB 1 15 PHE HZ 2.900 . 5.500 2.665 1.821 4.045 . 0 0 "[ . 1 . 2]" 1
112 1 15 PHE HZ 1 26 ASP HA 3.400 . 5.000 4.145 2.988 4.944 . 0 0 "[ . 1 . 2]" 1
113 1 15 PHE HZ 1 29 ALA HA 3.400 . 5.000 4.879 4.488 5.012 0.012 2 0 "[ . 1 . 2]" 1
114 1 15 PHE HZ 1 29 ALA MB 2.900 . 5.500 2.770 2.295 3.070 . 0 0 "[ . 1 . 2]" 1
115 1 15 PHE HZ 1 51 GLU QG 3.400 . 6.000 4.330 3.676 5.064 . 0 0 "[ . 1 . 2]" 1
116 1 16 LYS H 1 16 LYS HA 2.400 . 3.000 2.982 2.957 2.990 . 0 0 "[ . 1 . 2]" 1
117 1 16 LYS H 1 16 LYS HB3 2.400 . 3.000 2.463 2.297 2.702 . 0 0 "[ . 1 . 2]" 1
118 1 16 LYS H 1 16 LYS HB2 2.900 . 4.000 3.286 3.115 3.404 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS H 1 16 LYS QG 3.400 . 6.000 3.851 3.751 4.104 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS HA 1 16 LYS HB3 2.900 . 4.000 3.013 2.999 3.027 . 0 0 "[ . 1 . 2]" 1
121 1 16 LYS HA 1 16 LYS HB2 2.400 . 3.000 2.366 2.333 2.455 . 0 0 "[ . 1 . 2]" 1
122 1 15 PHE QB 1 16 LYS H 2.900 . 5.000 2.847 2.423 3.134 . 0 0 "[ . 1 . 2]" 1
123 1 16 LYS H 1 49 VAL HA 3.400 . 5.000 4.537 4.187 4.777 . 0 0 "[ . 1 . 2]" 1
124 1 16 LYS H 1 49 VAL HB 2.900 . 4.000 3.346 2.949 3.520 . 0 0 "[ . 1 . 2]" 1
125 1 16 LYS H 1 49 VAL MG1 3.400 . 6.500 4.691 4.385 4.926 . 0 0 "[ . 1 . 2]" 1
126 1 16 LYS H 1 49 VAL MG2 3.400 . 6.500 4.222 3.860 4.486 . 0 0 "[ . 1 . 2]" 1
127 1 16 LYS H 1 50 GLU H 2.900 . 4.000 2.503 2.167 2.811 . 0 0 "[ . 1 . 2]" 1
128 1 16 LYS H 1 50 GLU HB2 3.400 . 5.000 3.988 3.587 4.211 . 0 0 "[ . 1 . 2]" 1
129 1 16 LYS H 1 51 GLU HA 3.400 . 5.000 3.788 3.344 3.991 . 0 0 "[ . 1 . 2]" 1
130 1 16 LYS H 1 52 ASP HB2 3.400 . 5.000 3.374 2.952 3.803 . 0 0 "[ . 1 . 2]" 1
131 1 15 PHE QB 1 16 LYS HA 3.400 . 6.000 4.159 4.013 4.265 . 0 0 "[ . 1 . 2]" 1
132 1 16 LYS HA 1 17 CYS HA 3.400 . 5.000 4.443 4.430 4.452 . 0 0 "[ . 1 . 2]" 1
133 1 16 LYS HA 1 17 CYS HB3 3.400 . 5.000 4.597 4.548 4.650 . 0 0 "[ . 1 . 2]" 1
134 1 16 LYS HA 1 23 THR HA 2.400 . 3.000 1.853 1.811 1.904 . 0 0 "[ . 1 . 2]" 1
135 1 16 LYS HA 1 23 THR HB 3.400 . 5.000 4.470 4.377 4.596 . 0 0 "[ . 1 . 2]" 1
136 1 16 LYS HA 1 49 VAL HB 3.400 . 5.000 4.155 3.955 4.339 . 0 0 "[ . 1 . 2]" 1
137 1 16 LYS HA 1 49 VAL MG1 3.400 . 6.500 4.440 4.138 4.661 . 0 0 "[ . 1 . 2]" 1
138 1 16 LYS HA 1 52 ASP HB2 3.400 . 5.000 4.042 3.616 4.469 . 0 0 "[ . 1 . 2]" 1
139 1 16 LYS HB3 1 23 THR HA 3.400 . 5.000 4.771 4.689 4.853 . 0 0 "[ . 1 . 2]" 1
140 1 16 LYS HB2 1 23 THR HA 3.400 . 5.000 3.705 3.514 3.869 . 0 0 "[ . 1 . 2]" 1
141 1 16 LYS QG 1 18 PRO HA 3.400 . 6.000 3.927 3.722 4.574 . 0 0 "[ . 1 . 2]" 1
142 1 16 LYS QG 1 21 SER HA 2.900 . 5.000 3.366 3.214 3.554 . 0 0 "[ . 1 . 2]" 1
143 1 16 LYS QG 1 23 THR HA 3.400 . 6.000 3.921 3.417 4.345 . 0 0 "[ . 1 . 2]" 1
144 1 16 LYS QD 1 21 SER HA 3.400 . 6.000 4.008 3.093 4.386 . 0 0 "[ . 1 . 2]" 1
145 1 16 LYS QD 1 21 SER HB2 3.400 . 6.000 4.791 4.099 5.172 . 0 0 "[ . 1 . 2]" 1
146 1 16 LYS QD 1 23 THR HA 3.400 . 6.000 4.372 3.155 5.326 . 0 0 "[ . 1 . 2]" 1
147 1 16 LYS QD 1 52 ASP HA 3.400 . 6.000 4.660 3.954 5.208 . 0 0 "[ . 1 . 2]" 1
148 1 16 LYS QE 1 21 SER HA 3.400 . 5.000 2.936 2.088 4.184 . 0 0 "[ . 1 . 2]" 1
149 1 16 LYS QE 1 21 SER HB2 3.400 . 6.000 3.481 2.841 4.654 . 0 0 "[ . 1 . 2]" 1
150 1 17 CYS H 1 17 CYS HA 2.400 . 3.000 2.956 2.942 2.972 . 0 0 "[ . 1 . 2]" 1
151 1 17 CYS H 1 17 CYS HB3 2.400 . 3.000 2.385 2.345 2.428 . 0 0 "[ . 1 . 2]" 1
152 1 17 CYS H 1 17 CYS HB2 2.400 . 3.000 2.632 2.582 2.737 . 0 0 "[ . 1 . 2]" 1
153 1 17 CYS HA 1 17 CYS HB3 2.900 . 4.000 3.032 3.030 3.034 . 0 0 "[ . 1 . 2]" 1
154 1 17 CYS HA 1 17 CYS HB2 2.400 . 3.000 2.482 2.467 2.502 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS HA 1 17 CYS H 2.400 . 3.000 2.272 2.235 2.321 . 0 0 "[ . 1 . 2]" 1
156 1 16 LYS HB3 1 17 CYS H 3.400 . 5.000 4.195 3.993 4.321 . 0 0 "[ . 1 . 2]" 1
157 1 16 LYS HB2 1 17 CYS H 3.400 . 5.000 3.992 3.866 4.116 . 0 0 "[ . 1 . 2]" 1
158 1 16 LYS QG 1 17 CYS H 2.900 . 5.000 2.174 1.980 2.608 . 0 0 "[ . 1 . 2]" 1
159 1 17 CYS H 1 18 PRO QD 3.400 . 6.000 4.296 4.224 4.332 . 0 0 "[ . 1 . 2]" 1
160 1 17 CYS H 1 21 SER H 3.400 . 5.000 4.987 4.925 5.024 0.024 7 0 "[ . 1 . 2]" 1
161 1 17 CYS H 1 21 SER HA 3.400 . 5.000 3.950 3.829 4.021 . 0 0 "[ . 1 . 2]" 1
162 1 17 CYS H 1 22 SER H 2.900 . 4.000 3.374 3.256 3.493 . 0 0 "[ . 1 . 2]" 1
163 1 17 CYS H 1 22 SER HB2 3.400 . 5.000 3.843 3.738 4.025 . 0 0 "[ . 1 . 2]" 1
164 1 17 CYS H 1 23 THR HA 2.900 . 4.000 3.007 2.902 3.079 . 0 0 "[ . 1 . 2]" 1
165 1 17 CYS H 1 49 VAL MG1 3.400 . 6.500 3.780 3.593 3.958 . 0 0 "[ . 1 . 2]" 1
166 1 17 CYS H 1 49 VAL HB 3.400 . 5.000 4.348 4.103 4.626 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS QG 1 17 CYS HA 3.400 . 6.000 3.846 3.732 4.050 . 0 0 "[ . 1 . 2]" 1
168 1 17 CYS HA 1 18 PRO QB 3.400 . 6.000 4.552 4.519 4.580 . 0 0 "[ . 1 . 2]" 1
169 1 17 CYS HA 1 18 PRO QG 3.400 . 6.000 3.844 3.827 3.853 . 0 0 "[ . 1 . 2]" 1
170 1 17 CYS HA 1 18 PRO QD 2.400 . 4.000 1.926 1.885 1.943 . 0 0 "[ . 1 . 2]" 1
171 1 17 CYS HA 1 42 CYS QB 3.400 . 6.000 4.628 4.534 4.672 . 0 0 "[ . 1 . 2]" 1
172 1 17 CYS HA 1 47 THR MG 3.400 . 6.500 3.728 3.537 3.862 . 0 0 "[ . 1 . 2]" 1
173 1 17 CYS HA 1 49 VAL HA 2.900 . 4.000 2.096 1.878 2.335 . 0 0 "[ . 1 . 2]" 1
174 1 17 CYS HA 1 49 VAL HB 3.400 . 5.000 3.449 3.109 3.813 . 0 0 "[ . 1 . 2]" 1
175 1 16 LYS QG 1 17 CYS HB3 3.400 . 6.000 3.931 3.745 4.249 . 0 0 "[ . 1 . 2]" 1
176 1 17 CYS HB3 1 22 SER HB2 3.400 . 5.000 2.485 2.424 2.555 . 0 0 "[ . 1 . 2]" 1
177 1 17 CYS HB3 1 42 CYS QB 3.400 . 6.000 4.734 4.708 4.763 . 0 0 "[ . 1 . 2]" 1
178 1 16 LYS HA 1 17 CYS HB2 3.400 . 5.000 4.372 4.318 4.417 . 0 0 "[ . 1 . 2]" 1
179 1 16 LYS QG 1 17 CYS HB2 3.400 . 6.000 4.525 4.399 4.815 . 0 0 "[ . 1 . 2]" 1
180 1 17 CYS HB2 1 18 PRO QD 3.400 . 6.000 3.776 3.663 3.895 . 0 0 "[ . 1 . 2]" 1
181 1 17 CYS HB2 1 22 SER HB2 3.400 . 5.000 2.971 2.846 3.091 . 0 0 "[ . 1 . 2]" 1
182 1 17 CYS HB2 1 42 CYS QB 2.900 . 5.000 3.613 3.594 3.641 . 0 0 "[ . 1 . 2]" 1
183 1 16 LYS QE 1 18 PRO HA 3.400 . 6.000 5.018 4.541 5.406 . 0 0 "[ . 1 . 2]" 1
184 1 18 PRO HA 1 19 VAL MG2 3.400 . 6.500 4.899 4.810 5.000 . 0 0 "[ . 1 . 2]" 1
185 1 18 PRO HA 1 21 SER HA 3.400 . 5.000 3.909 3.807 4.184 . 0 0 "[ . 1 . 2]" 1
186 1 18 PRO QB 1 19 VAL MG2 3.400 . 7.500 3.498 3.385 3.652 . 0 0 "[ . 1 . 2]" 1
187 1 18 PRO QG 1 47 THR MG 2.900 . 6.500 2.286 2.071 2.602 . 0 0 "[ . 1 . 2]" 1
188 1 17 CYS HB3 1 18 PRO QD 3.400 . 6.000 4.006 3.900 4.105 . 0 0 "[ . 1 . 2]" 1
189 1 18 PRO QD 1 19 VAL MG2 3.400 . 7.500 3.609 3.455 3.787 . 0 0 "[ . 1 . 2]" 1
190 1 18 PRO QD 1 47 THR MG 3.400 . 7.500 2.033 1.850 2.319 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL H 1 19 VAL HA 2.400 . 3.000 2.944 2.929 2.971 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL H 1 19 VAL HB 2.400 . 3.000 2.186 2.148 2.234 . 0 0 "[ . 1 . 2]" 1
193 1 19 VAL H 1 19 VAL MG1 2.900 . 5.500 3.635 3.607 3.667 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL H 1 19 VAL MG2 2.400 . 4.500 2.661 2.518 2.826 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL HA 1 19 VAL MG1 2.400 . 4.500 2.542 2.490 2.597 . 0 0 "[ . 1 . 2]" 1
196 1 19 VAL HA 1 19 VAL MG2 2.400 . 4.500 2.232 2.154 2.265 . 0 0 "[ . 1 . 2]" 1
197 1 16 LYS QG 1 19 VAL H 3.400 . 6.000 5.617 5.340 5.902 . 0 0 "[ . 1 . 2]" 1
198 1 17 CYS HA 1 19 VAL H 3.400 . 5.000 3.762 3.605 3.884 . 0 0 "[ . 1 . 2]" 1
199 1 17 CYS HB3 1 19 VAL H 3.400 . 5.000 3.956 3.696 4.080 . 0 0 "[ . 1 . 2]" 1
200 1 17 CYS HB2 1 19 VAL H 3.400 . 5.000 4.621 4.443 4.711 . 0 0 "[ . 1 . 2]" 1
201 1 18 PRO HA 1 19 VAL H 2.900 . 4.000 3.492 3.435 3.521 . 0 0 "[ . 1 . 2]" 1
202 1 18 PRO QB 1 19 VAL H 3.400 . 6.000 3.448 3.354 3.598 . 0 0 "[ . 1 . 2]" 1
203 1 18 PRO QG 1 19 VAL H 2.900 . 5.000 2.865 2.730 3.144 . 0 0 "[ . 1 . 2]" 1
204 1 18 PRO QD 1 19 VAL H 2.900 . 5.000 2.430 2.249 2.643 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL H 1 20 CYS HB3 3.400 . 5.000 5.311 5.192 5.383 0.383 4 0 "[ . 1 . 2]" 1
206 1 19 VAL H 1 21 SER H 2.900 . 4.000 3.350 3.214 3.435 . 0 0 "[ . 1 . 2]" 1
207 1 19 VAL H 1 21 SER HA 3.400 . 5.000 4.788 4.628 4.878 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL H 1 47 THR MG 2.900 . 5.500 1.958 1.845 2.263 . 0 0 "[ . 1 . 2]" 1
209 1 18 PRO QG 1 19 VAL HA 3.400 . 6.000 4.417 4.365 4.545 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL HB 1 47 THR MG 2.900 . 5.500 1.828 1.807 1.900 . 0 0 "[ . 1 . 2]" 1
211 1 18 PRO QG 1 19 VAL MG2 2.400 . 5.500 2.741 2.631 2.937 . 0 0 "[ . 1 . 2]" 1
212 1 19 VAL MG2 1 47 THR HB 2.900 . 5.500 3.229 3.175 3.310 . 0 0 "[ . 1 . 2]" 1
213 1 19 VAL MG2 1 47 THR MG 2.400 . 6.000 1.661 1.595 1.736 0.205 8 0 "[ . 1 . 2]" 1
214 1 19 VAL MG1 1 20 CYS HA 2.900 . 5.500 3.139 3.046 3.277 . 0 0 "[ . 1 . 2]" 1
215 1 19 VAL MG1 1 20 CYS HB3 3.400 . 6.500 2.516 2.392 2.781 . 0 0 "[ . 1 . 2]" 1
216 1 19 VAL MG1 1 20 CYS HB2 3.400 . 6.500 3.935 3.856 4.153 . 0 0 "[ . 1 . 2]" 1
217 1 19 VAL MG1 1 45 CYS HB3 3.400 . 6.500 3.720 3.572 3.893 . 0 0 "[ . 1 . 2]" 1
218 1 19 VAL MG1 1 45 CYS HB2 3.400 . 6.500 3.067 2.966 3.204 . 0 0 "[ . 1 . 2]" 1
219 1 20 CYS H 1 20 CYS HA 2.400 . 3.000 2.945 2.941 2.950 . 0 0 "[ . 1 . 2]" 1
220 1 20 CYS H 1 20 CYS HB3 2.900 . 4.000 2.451 2.431 2.475 . 0 0 "[ . 1 . 2]" 1
221 1 20 CYS H 1 20 CYS HB2 3.400 . 5.000 3.595 3.588 3.602 . 0 0 "[ . 1 . 2]" 1
222 1 20 CYS HA 1 20 CYS HB3 2.400 . 3.000 2.557 2.549 2.567 . 0 0 "[ . 1 . 2]" 1
223 1 20 CYS HA 1 20 CYS HB2 2.400 . 3.000 2.385 2.376 2.392 . 0 0 "[ . 1 . 2]" 1
224 1 17 CYS HB3 1 20 CYS H 3.400 . 5.000 3.706 3.630 3.760 . 0 0 "[ . 1 . 2]" 1
225 1 17 CYS HB2 1 20 CYS H 3.400 . 5.000 4.725 4.668 4.757 . 0 0 "[ . 1 . 2]" 1
226 1 19 VAL HA 1 20 CYS H 3.400 . 5.000 3.575 3.570 3.579 . 0 0 "[ . 1 . 2]" 1
227 1 19 VAL HB 1 20 CYS H 2.400 . 3.000 2.196 2.120 2.248 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL MG1 1 20 CYS H 2.900 . 5.500 2.180 2.042 2.468 . 0 0 "[ . 1 . 2]" 1
229 1 19 VAL MG2 1 20 CYS H 3.400 . 6.500 3.777 3.744 3.804 . 0 0 "[ . 1 . 2]" 1
230 1 20 CYS H 1 21 SER H 2.400 . 3.000 2.724 2.686 2.770 . 0 0 "[ . 1 . 2]" 1
231 1 20 CYS H 1 21 SER HA 2.900 . 4.000 4.880 4.839 4.909 0.909 5 20 [****+**-************] 1
232 1 20 CYS H 1 47 THR MG 3.400 . 6.500 3.570 3.505 3.643 . 0 0 "[ . 1 . 2]" 1
233 1 19 VAL HA 1 20 CYS HA 3.400 . 5.000 4.592 4.583 4.602 . 0 0 "[ . 1 . 2]" 1
234 1 20 CYS HA 1 21 SER HB3 3.400 . 5.000 4.893 4.744 5.004 0.004 2 0 "[ . 1 . 2]" 1
235 1 21 SER H 1 21 SER HA 2.400 . 3.000 2.355 2.347 2.361 . 0 0 "[ . 1 . 2]" 1
236 1 21 SER H 1 21 SER HB3 2.900 . 4.000 3.172 3.078 3.236 . 0 0 "[ . 1 . 2]" 1
237 1 21 SER H 1 21 SER HB2 3.400 . 5.000 4.020 4.009 4.034 . 0 0 "[ . 1 . 2]" 1
238 1 21 SER HA 1 21 SER HB3 2.400 . 3.000 2.317 2.292 2.360 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER HA 1 21 SER HB2 2.400 . 3.000 2.641 2.578 2.679 . 0 0 "[ . 1 . 2]" 1
240 1 16 LYS QG 1 21 SER H 3.400 . 6.000 5.022 4.904 5.202 . 0 0 "[ . 1 . 2]" 1
241 1 17 CYS HB3 1 21 SER H 2.900 . 4.000 3.443 3.406 3.477 . 0 0 "[ . 1 . 2]" 1
242 1 17 CYS HB2 1 21 SER H 3.400 . 5.000 5.080 5.055 5.105 0.105 16 0 "[ . 1 . 2]" 1
243 1 18 PRO HA 1 21 SER H 3.400 . 5.000 4.153 4.078 4.333 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HB 1 21 SER H 3.400 . 5.000 4.255 4.174 4.325 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL MG1 1 21 SER H 3.400 . 6.500 4.117 4.072 4.186 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL MG2 1 21 SER H 3.400 . 6.500 4.944 4.892 4.980 . 0 0 "[ . 1 . 2]" 1
247 1 20 CYS HA 1 21 SER H 3.400 . 5.000 3.132 3.112 3.145 . 0 0 "[ . 1 . 2]" 1
248 1 20 CYS HB3 1 21 SER H 3.400 . 5.000 4.379 4.359 4.403 . 0 0 "[ . 1 . 2]" 1
249 1 21 SER H 1 22 SER H 2.900 . 4.000 2.948 2.923 2.972 . 0 0 "[ . 1 . 2]" 1
250 1 17 CYS HB3 1 21 SER HA 3.400 . 5.000 3.629 3.560 3.697 . 0 0 "[ . 1 . 2]" 1
251 1 16 LYS QG 1 21 SER HB3 3.400 . 6.000 5.135 4.958 5.277 . 0 0 "[ . 1 . 2]" 1
252 1 16 LYS QD 1 21 SER HB3 3.400 . 6.000 5.175 4.820 5.372 . 0 0 "[ . 1 . 2]" 1
253 1 16 LYS QE 1 21 SER HB3 3.400 . 6.000 4.019 3.407 4.991 . 0 0 "[ . 1 . 2]" 1
254 1 16 LYS QG 1 21 SER HB2 3.400 . 6.000 5.020 4.716 5.251 . 0 0 "[ . 1 . 2]" 1
255 1 22 SER H 1 22 SER HA 2.400 . 3.000 2.929 2.912 2.944 . 0 0 "[ . 1 . 2]" 1
256 1 22 SER H 1 22 SER HB3 2.900 . 4.000 3.472 3.423 3.506 . 0 0 "[ . 1 . 2]" 1
257 1 22 SER H 1 22 SER HB2 2.400 . 3.000 2.128 2.064 2.186 . 0 0 "[ . 1 . 2]" 1
258 1 22 SER HA 1 22 SER HB3 2.400 . 3.000 2.631 2.583 2.683 . 0 0 "[ . 1 . 2]" 1
259 1 22 SER HA 1 22 SER HB2 2.900 . 4.000 3.004 2.983 3.017 . 0 0 "[ . 1 . 2]" 1
260 1 16 LYS QG 1 22 SER H 3.400 . 6.000 4.433 4.102 4.877 . 0 0 "[ . 1 . 2]" 1
261 1 17 CYS HB3 1 22 SER H 2.900 . 4.000 1.864 1.835 1.913 . 0 0 "[ . 1 . 2]" 1
262 1 17 CYS HB2 1 22 SER H 2.900 . 4.000 3.437 3.374 3.499 . 0 0 "[ . 1 . 2]" 1
263 1 20 CYS H 1 22 SER H 3.400 . 5.000 3.796 3.755 3.867 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS HB3 1 22 SER H 3.400 . 5.000 4.628 4.496 4.753 . 0 0 "[ . 1 . 2]" 1
265 1 22 SER HA 1 23 THR HA 3.400 . 5.000 4.660 4.607 4.691 . 0 0 "[ . 1 . 2]" 1
266 1 22 SER H 1 23 THR H 3.400 . 5.000 4.505 4.443 4.564 . 0 0 "[ . 1 . 2]" 1
267 1 22 SER HA 1 23 THR H 2.400 . 3.000 2.750 2.657 2.835 . 0 0 "[ . 1 . 2]" 1
268 1 22 SER HB3 1 23 THR H 2.900 . 4.000 2.035 1.888 2.183 . 0 0 "[ . 1 . 2]" 1
269 1 22 SER HB2 1 23 THR H 3.400 . 5.000 3.436 3.283 3.512 . 0 0 "[ . 1 . 2]" 1
270 1 23 THR H 1 24 PHE H 3.400 . 5.000 4.419 4.392 4.445 . 0 0 "[ . 1 . 2]" 1
271 1 15 PHE QB 1 23 THR HA 3.400 . 6.000 4.417 4.281 4.656 . 0 0 "[ . 1 . 2]" 1
272 1 22 SER HB3 1 23 THR HA 3.400 . 6.000 4.249 4.159 4.347 . 0 0 "[ . 1 . 2]" 1
273 1 22 SER HB2 1 23 THR HA 3.400 . 6.000 4.776 4.659 4.859 . 0 0 "[ . 1 . 2]" 1
274 1 14 SER HA 1 23 THR MG 3.400 . 6.500 4.072 3.840 4.521 . 0 0 "[ . 1 . 2]" 1
275 1 16 LYS HA 1 23 THR MG 2.400 . 4.500 2.344 2.187 2.536 . 0 0 "[ . 1 . 2]" 1
276 1 16 LYS HB3 1 23 THR MG 2.900 . 5.500 3.742 3.714 3.875 . 0 0 "[ . 1 . 2]" 1
277 1 16 LYS HB2 1 23 THR MG 2.400 . 4.500 2.315 2.207 2.570 . 0 0 "[ . 1 . 2]" 1
278 1 16 LYS QE 1 23 THR MG 2.900 . 6.500 3.745 3.223 4.229 . 0 0 "[ . 1 . 2]" 1
279 1 24 PHE H 1 24 PHE HA 2.400 . 3.000 2.969 2.961 2.981 . 0 0 "[ . 1 . 2]" 1
280 1 24 PHE H 1 24 PHE HB3 2.900 . 4.000 3.909 3.876 3.929 . 0 0 "[ . 1 . 2]" 1
281 1 24 PHE H 1 24 PHE HB2 2.400 . 3.000 2.876 2.804 2.915 . 0 0 "[ . 1 . 2]" 1
282 1 24 PHE H 1 24 PHE QD 2.900 . 6.000 2.918 2.559 3.336 . 0 0 "[ . 1 . 2]" 1
283 1 24 PHE HA 1 24 PHE HB3 2.400 . 3.000 2.410 2.396 2.437 . 0 0 "[ . 1 . 2]" 1
284 1 24 PHE HA 1 24 PHE HB2 2.900 . 4.000 3.030 3.026 3.035 . 0 0 "[ . 1 . 2]" 1
285 1 24 PHE H 1 24 PHE QE 3.400 . 7.000 4.679 4.484 4.919 . 0 0 "[ . 1 . 2]" 1
286 1 24 PHE HA 1 24 PHE QD 2.900 . 6.000 2.805 2.432 3.039 . 0 0 "[ . 1 . 2]" 1
287 1 24 PHE HB3 1 24 PHE QD 2.400 . 5.000 2.460 2.377 2.592 . 0 0 "[ . 1 . 2]" 1
288 1 24 PHE HB2 1 24 PHE QD 2.400 . 5.000 2.376 2.308 2.450 . 0 0 "[ . 1 . 2]" 1
289 1 23 THR HA 1 24 PHE H 2.400 . 3.000 2.397 2.350 2.438 . 0 0 "[ . 1 . 2]" 1
290 1 23 THR HB 1 24 PHE H 2.400 . 3.000 3.462 3.386 3.512 0.512 1 4 "[+ -.* 1 * . 2]" 1
291 1 23 THR MG 1 24 PHE H 2.900 . 5.500 1.990 1.845 2.222 . 0 0 "[ . 1 . 2]" 1
292 1 24 PHE H 1 25 THR H 3.400 . 5.000 4.424 4.407 4.437 . 0 0 "[ . 1 . 2]" 1
293 1 23 THR HB 1 24 PHE HA 3.400 . 5.000 4.337 4.297 4.377 . 0 0 "[ . 1 . 2]" 1
294 1 24 PHE HA 1 25 THR MG 2.900 . 5.500 4.120 3.710 4.352 . 0 0 "[ . 1 . 2]" 1
295 1 24 PHE HA 1 28 GLU HB3 3.400 . 5.000 3.931 3.751 4.109 . 0 0 "[ . 1 . 2]" 1
296 1 24 PHE HA 1 28 GLU HB2 3.400 . 5.000 3.425 3.213 3.681 . 0 0 "[ . 1 . 2]" 1
297 1 24 PHE HA 1 32 LEU QD 3.400 . 8.900 3.976 3.549 4.257 . 0 0 "[ . 1 . 2]" 1
298 1 24 PHE HB3 1 25 THR MG 3.400 . 6.500 5.259 4.954 5.394 . 0 0 "[ . 1 . 2]" 1
299 1 24 PHE HB3 1 28 GLU HB3 2.900 . 4.000 2.168 2.003 2.421 . 0 0 "[ . 1 . 2]" 1
300 1 24 PHE HB3 1 28 GLU HB2 2.900 . 4.000 1.961 1.833 2.123 . 0 0 "[ . 1 . 2]" 1
301 1 24 PHE HB3 1 32 LEU QD 2.900 . 7.900 2.242 1.838 2.585 . 0 0 "[ . 1 . 2]" 1
302 1 24 PHE HB3 1 49 VAL MG1 3.400 . 6.500 5.198 5.114 5.277 . 0 0 "[ . 1 . 2]" 1
303 1 24 PHE HB2 1 28 GLU HB3 3.400 . 5.000 3.781 3.456 4.082 . 0 0 "[ . 1 . 2]" 1
304 1 24 PHE HB2 1 28 GLU HB2 2.900 . 4.000 3.284 3.111 3.334 . 0 0 "[ . 1 . 2]" 1
305 1 24 PHE HB2 1 32 LEU QD 2.900 . 7.900 2.837 2.389 3.216 . 0 0 "[ . 1 . 2]" 1
306 1 24 PHE HB2 1 49 VAL MG1 3.400 . 6.500 4.370 4.222 4.505 . 0 0 "[ . 1 . 2]" 1
307 1 17 CYS H 1 24 PHE QD 3.400 . 7.000 4.342 4.064 4.583 . 0 0 "[ . 1 . 2]" 1
308 1 24 PHE QD 1 25 THR H 3.400 . 7.000 4.140 3.973 4.268 . 0 0 "[ . 1 . 2]" 1
309 1 24 PHE QD 1 43 THR H 3.400 . 7.000 5.106 4.892 5.340 . 0 0 "[ . 1 . 2]" 1
310 1 17 CYS H 1 24 PHE QE 3.400 . 7.000 3.473 3.116 3.929 . 0 0 "[ . 1 . 2]" 1
311 1 22 SER H 1 24 PHE QE 3.400 . 7.000 4.733 4.445 4.974 . 0 0 "[ . 1 . 2]" 1
312 1 24 PHE QE 1 42 CYS H 3.400 . 7.000 4.960 4.540 5.304 . 0 0 "[ . 1 . 2]" 1
313 1 24 PHE QE 1 43 THR H 3.400 . 7.000 3.306 2.960 3.662 . 0 0 "[ . 1 . 2]" 1
314 1 24 PHE QE 1 44 PHE H 3.400 . 7.000 4.447 4.171 4.734 . 0 0 "[ . 1 . 2]" 1
315 1 24 PHE HZ 1 43 THR H 3.400 . 5.000 2.709 2.535 2.892 . 0 0 "[ . 1 . 2]" 1
316 1 24 PHE HZ 1 44 PHE H 3.400 . 5.000 3.885 3.737 4.026 . 0 0 "[ . 1 . 2]" 1
317 1 15 PHE QB 1 24 PHE QD 2.900 . 7.000 2.562 2.371 2.808 . 0 0 "[ . 1 . 2]" 1
318 1 16 LYS HA 1 24 PHE QD 2.900 . 6.000 3.654 3.458 4.089 . 0 0 "[ . 1 . 2]" 1
319 1 17 CYS HB3 1 24 PHE QD 3.400 . 7.000 5.452 5.306 5.624 . 0 0 "[ . 1 . 2]" 1
320 1 17 CYS HB2 1 24 PHE QD 3.400 . 7.000 4.207 4.084 4.417 . 0 0 "[ . 1 . 2]" 1
321 1 22 SER HB3 1 24 PHE QD 3.400 . 7.000 4.715 4.559 4.888 . 0 0 "[ . 1 . 2]" 1
322 1 22 SER HB2 1 24 PHE QD 3.400 . 7.000 5.287 5.182 5.469 . 0 0 "[ . 1 . 2]" 1
323 1 23 THR HA 1 24 PHE QD 2.900 . 6.000 3.142 2.753 3.641 . 0 0 "[ . 1 . 2]" 1
324 1 23 THR HB 1 24 PHE QD 3.400 . 7.000 5.147 5.007 5.239 . 0 0 "[ . 1 . 2]" 1
325 1 23 THR MG 1 24 PHE QD 3.400 . 8.500 4.118 3.715 4.432 . 0 0 "[ . 1 . 2]" 1
326 1 24 PHE QD 1 28 GLU HA 3.400 . 7.000 5.103 4.825 5.438 . 0 0 "[ . 1 . 2]" 1
327 1 24 PHE QD 1 28 GLU HB3 3.400 . 7.000 2.889 2.529 3.267 . 0 0 "[ . 1 . 2]" 1
328 1 24 PHE QD 1 28 GLU HB2 2.900 . 6.000 3.719 3.381 3.982 . 0 0 "[ . 1 . 2]" 1
329 1 24 PHE QD 1 29 ALA HA 3.400 . 7.000 6.109 5.805 6.374 . 0 0 "[ . 1 . 2]" 1
330 1 24 PHE QD 1 29 ALA MB 3.400 . 8.500 6.147 5.939 6.353 . 0 0 "[ . 1 . 2]" 1
331 1 24 PHE QD 1 32 LEU HG 3.400 . 7.000 4.565 4.128 5.103 . 0 0 "[ . 1 . 2]" 1
332 1 24 PHE QD 1 32 LEU QD 2.400 . 8.900 2.263 1.938 2.786 . 0 0 "[ . 1 . 2]" 1
333 1 24 PHE QD 1 42 CYS HA 3.400 . 7.000 4.388 4.061 4.533 . 0 0 "[ . 1 . 2]" 1
334 1 24 PHE QD 1 43 THR MG 3.400 . 8.500 4.585 4.278 5.042 . 0 0 "[ . 1 . 2]" 1
335 1 24 PHE QD 1 49 VAL HB 3.400 . 7.000 3.070 2.846 3.463 . 0 0 "[ . 1 . 2]" 1
336 1 24 PHE QD 1 49 VAL MG1 2.900 . 7.500 2.685 2.509 2.960 . 0 0 "[ . 1 . 2]" 1
337 1 24 PHE QD 1 49 VAL MG2 3.400 . 8.500 3.502 3.090 3.912 . 0 0 "[ . 1 . 2]" 1
338 1 15 PHE QB 1 24 PHE QE 3.400 . 8.000 4.524 4.295 4.787 . 0 0 "[ . 1 . 2]" 1
339 1 16 LYS HA 1 24 PHE QE 3.400 . 7.000 4.174 3.946 4.657 . 0 0 "[ . 1 . 2]" 1
340 1 17 CYS HA 1 24 PHE QE 3.400 . 7.000 3.936 3.710 4.182 . 0 0 "[ . 1 . 2]" 1
341 1 17 CYS HB3 1 24 PHE QE 3.400 . 7.000 3.562 3.325 3.801 . 0 0 "[ . 1 . 2]" 1
342 1 17 CYS HB2 1 24 PHE QE 2.900 . 6.000 2.104 1.971 2.279 . 0 0 "[ . 1 . 2]" 1
343 1 22 SER HA 1 24 PHE QE 3.400 . 7.000 5.316 5.095 5.459 . 0 0 "[ . 1 . 2]" 1
344 1 22 SER HB3 1 24 PHE QE 3.400 . 7.000 3.418 3.175 3.700 . 0 0 "[ . 1 . 2]" 1
345 1 22 SER HB2 1 24 PHE QE 2.900 . 6.000 3.471 3.253 3.705 . 0 0 "[ . 1 . 2]" 1
346 1 23 THR HA 1 24 PHE QE 3.400 . 7.000 3.725 3.383 4.223 . 0 0 "[ . 1 . 2]" 1
347 1 23 THR MG 1 24 PHE QE 3.400 . 8.500 5.115 4.871 5.394 . 0 0 "[ . 1 . 2]" 1
348 1 24 PHE QE 1 28 GLU HB3 3.400 . 7.000 4.891 4.563 5.147 . 0 0 "[ . 1 . 2]" 1
349 1 24 PHE QE 1 28 GLU HB2 3.400 . 7.000 5.874 5.595 6.098 . 0 0 "[ . 1 . 2]" 1
350 1 24 PHE QE 1 32 LEU QD 2.900 . 9.900 2.955 2.673 3.215 . 0 0 "[ . 1 . 2]" 1
351 1 24 PHE QE 1 42 CYS HA 2.900 . 6.000 3.032 2.515 3.291 . 0 0 "[ . 1 . 2]" 1
352 1 24 PHE QE 1 42 CYS QB 3.400 . 8.000 3.924 3.562 4.133 . 0 0 "[ . 1 . 2]" 1
353 1 24 PHE QE 1 43 THR HB 3.400 . 7.000 3.792 3.514 4.193 . 0 0 "[ . 1 . 2]" 1
354 1 24 PHE QE 1 43 THR MG 2.900 . 7.500 4.044 3.778 4.463 . 0 0 "[ . 1 . 2]" 1
355 1 24 PHE QE 1 49 VAL HB 3.400 . 7.000 3.529 3.138 3.927 . 0 0 "[ . 1 . 2]" 1
356 1 24 PHE QE 1 49 VAL MG1 2.900 . 7.500 1.955 1.805 2.243 . 0 0 "[ . 1 . 2]" 1
357 1 24 PHE QE 1 49 VAL MG2 3.400 . 8.500 4.107 3.803 4.435 . 0 0 "[ . 1 . 2]" 1
358 1 17 CYS HB2 1 24 PHE HZ 3.400 . 5.000 3.536 3.298 3.864 . 0 0 "[ . 1 . 2]" 1
359 1 22 SER HB3 1 24 PHE HZ 3.400 . 5.000 2.897 2.534 3.299 . 0 0 "[ . 1 . 2]" 1
360 1 22 SER HB2 1 24 PHE HZ 3.400 . 5.000 3.039 2.911 3.206 . 0 0 "[ . 1 . 2]" 1
361 1 24 PHE HZ 1 32 LEU QD 2.900 . 7.900 3.750 3.478 3.916 . 0 0 "[ . 1 . 2]" 1
362 1 24 PHE HZ 1 42 CYS HA 2.900 . 4.000 2.915 2.578 3.220 . 0 0 "[ . 1 . 2]" 1
363 1 24 PHE HZ 1 42 CYS QB 3.400 . 6.000 3.976 3.695 4.309 . 0 0 "[ . 1 . 2]" 1
364 1 24 PHE HZ 1 43 THR HB 3.400 . 5.000 4.960 4.824 5.030 0.030 8 0 "[ . 1 . 2]" 1
365 1 24 PHE HZ 1 43 THR MG 3.400 . 6.500 5.212 4.875 5.389 . 0 0 "[ . 1 . 2]" 1
366 1 24 PHE HZ 1 49 VAL MG1 3.400 . 6.500 3.593 3.335 3.861 . 0 0 "[ . 1 . 2]" 1
367 1 23 THR MG 1 25 THR H 3.400 . 6.500 5.200 5.167 5.296 . 0 0 "[ . 1 . 2]" 1
368 1 24 PHE HA 1 25 THR H 2.400 . 3.000 2.466 2.408 2.557 . 0 0 "[ . 1 . 2]" 1
369 1 24 PHE HB3 1 25 THR H 2.900 . 4.000 2.600 2.413 2.708 . 0 0 "[ . 1 . 2]" 1
370 1 24 PHE HB2 1 25 THR H 3.400 . 5.000 3.458 3.324 3.524 . 0 0 "[ . 1 . 2]" 1
371 1 25 THR H 1 26 ASP H 3.400 . 5.000 4.374 4.282 4.464 . 0 0 "[ . 1 . 2]" 1
372 1 25 THR H 1 28 GLU H 3.400 . 5.000 3.016 2.787 3.226 . 0 0 "[ . 1 . 2]" 1
373 1 25 THR H 1 28 GLU HB3 3.400 . 5.000 3.424 3.268 3.585 . 0 0 "[ . 1 . 2]" 1
374 1 25 THR H 1 28 GLU HB2 2.900 . 4.000 1.972 1.889 2.163 . 0 0 "[ . 1 . 2]" 1
375 1 25 THR HB 1 26 ASP HA 3.400 . 5.000 4.553 4.442 4.715 . 0 0 "[ . 1 . 2]" 1
376 1 25 THR HB 1 27 LEU QB 3.400 . 6.000 4.025 3.475 4.408 . 0 0 "[ . 1 . 2]" 1
377 1 13 ALA HA 1 25 THR MG 3.400 . 6.500 5.041 4.396 5.294 . 0 0 "[ . 1 . 2]" 1
378 1 14 SER QB 1 25 THR MG 3.400 . 7.500 2.791 2.034 3.304 . 0 0 "[ . 1 . 2]" 1
379 1 25 THR HA 1 26 ASP HB3 3.400 . 5.000 5.014 4.986 5.050 0.050 17 0 "[ . 1 . 2]" 1
380 1 26 ASP H 1 26 ASP HA 2.400 . 3.000 2.832 2.798 2.873 . 0 0 "[ . 1 . 2]" 1
381 1 26 ASP H 1 26 ASP HB3 2.400 . 3.000 2.614 2.533 2.684 . 0 0 "[ . 1 . 2]" 1
382 1 26 ASP H 1 26 ASP HB2 2.900 . 4.000 3.520 3.512 3.529 . 0 0 "[ . 1 . 2]" 1
383 1 26 ASP HA 1 26 ASP HB3 2.400 . 3.000 2.382 2.359 2.415 . 0 0 "[ . 1 . 2]" 1
384 1 26 ASP HA 1 26 ASP HB2 2.400 . 3.000 2.573 2.541 2.600 . 0 0 "[ . 1 . 2]" 1
385 1 14 SER QB 1 26 ASP H 3.400 . 6.000 5.167 4.471 5.609 . 0 0 "[ . 1 . 2]" 1
386 1 25 THR HA 1 26 ASP H 2.400 . 3.000 2.738 2.589 2.870 . 0 0 "[ . 1 . 2]" 1
387 1 25 THR HB 1 26 ASP H 2.400 . 3.000 2.039 1.853 2.308 . 0 0 "[ . 1 . 2]" 1
388 1 25 THR MG 1 26 ASP H 2.900 . 5.500 3.122 2.929 3.380 . 0 0 "[ . 1 . 2]" 1
389 1 26 ASP H 1 27 LEU H 2.900 . 4.000 2.843 2.681 2.916 . 0 0 "[ . 1 . 2]" 1
390 1 26 ASP H 1 27 LEU HG 3.400 . 5.000 4.667 4.317 5.032 0.032 14 0 "[ . 1 . 2]" 1
391 1 26 ASP H 1 27 LEU QD 3.400 . 8.900 4.326 3.112 5.122 . 0 0 "[ . 1 . 2]" 1
392 1 26 ASP HA 1 29 ALA MB 2.900 . 5.500 1.931 1.827 2.062 . 0 0 "[ . 1 . 2]" 1
393 1 13 ALA MB 1 26 ASP HB2 3.400 . 6.500 3.809 3.043 6.044 . 0 0 "[ . 1 . 2]" 1
394 1 25 THR HA 1 27 LEU H 3.400 . 5.000 4.806 4.607 5.008 0.008 7 0 "[ . 1 . 2]" 1
395 1 25 THR HB 1 27 LEU H 2.900 . 4.000 2.926 2.711 3.277 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR HG1 1 27 LEU H 3.400 . 6.500 3.748 3.060 4.260 . 0 0 "[ . 1 . 2]" 1
397 1 26 ASP HA 1 27 LEU H 2.900 . 4.000 3.585 3.570 3.597 . 0 0 "[ . 1 . 2]" 1
398 1 26 ASP HB3 1 27 LEU H 2.900 . 4.000 3.894 3.840 3.969 . 0 0 "[ . 1 . 2]" 1
399 1 26 ASP HB2 1 27 LEU H 2.900 . 4.000 3.345 3.214 3.480 . 0 0 "[ . 1 . 2]" 1
400 1 27 LEU H 1 28 GLU HB2 3.400 . 5.000 4.903 4.708 5.029 0.029 20 0 "[ . 1 . 2]" 1
401 1 27 LEU HA 1 30 ASN QB 3.400 . 6.000 4.207 3.354 4.794 . 0 0 "[ . 1 . 2]" 1
402 1 25 THR HB 1 27 LEU QD 3.400 . 8.900 3.217 1.852 4.856 . 0 0 "[ . 1 . 2]" 1
403 1 26 ASP HB2 1 27 LEU QD 2.900 . 7.900 4.992 4.063 5.381 . 0 0 "[ . 1 . 2]" 1
404 1 27 LEU QD 1 28 GLU HA 2.900 . 7.900 3.542 2.621 5.058 . 0 0 "[ . 1 . 2]" 1
405 1 27 LEU QD 1 28 GLU QG 2.900 . 8.900 2.457 1.658 4.191 0.142 5 0 "[ . 1 . 2]" 1
406 1 27 LEU QD 1 31 GLN QB 2.900 . 8.900 4.856 4.644 5.097 . 0 0 "[ . 1 . 2]" 1
407 1 27 LEU QB 1 28 GLU HA 3.400 . 6.000 4.452 3.938 4.708 . 0 0 "[ . 1 . 2]" 1
408 1 28 GLU H 1 28 GLU HA 2.400 . 3.000 2.965 2.927 2.995 . 0 0 "[ . 1 . 2]" 1
409 1 28 GLU H 1 28 GLU HB3 2.900 . 4.000 3.581 3.544 3.666 . 0 0 "[ . 1 . 2]" 1
410 1 28 GLU H 1 28 GLU HB2 2.400 . 3.000 2.387 2.254 2.542 . 0 0 "[ . 1 . 2]" 1
411 1 25 THR HG1 1 28 GLU H 3.400 . 6.500 3.810 2.686 4.385 . 0 0 "[ . 1 . 2]" 1
412 1 26 ASP H 1 28 GLU H 3.400 . 5.000 4.060 3.911 4.306 . 0 0 "[ . 1 . 2]" 1
413 1 27 LEU H 1 28 GLU H 2.900 . 4.000 2.742 2.656 2.835 . 0 0 "[ . 1 . 2]" 1
414 1 27 LEU HA 1 28 GLU H 2.900 . 4.000 3.504 3.459 3.570 . 0 0 "[ . 1 . 2]" 1
415 1 27 LEU QB 1 28 GLU H 2.900 . 5.000 3.268 2.516 3.613 . 0 0 "[ . 1 . 2]" 1
416 1 27 LEU QD 1 28 GLU H 3.400 . 8.900 3.312 2.842 4.185 . 0 0 "[ . 1 . 2]" 1
417 1 28 GLU H 1 29 ALA MB 3.400 . 6.500 3.717 3.533 3.993 . 0 0 "[ . 1 . 2]" 1
418 1 28 GLU H 1 32 LEU QD 3.400 . 8.900 4.601 3.999 5.020 . 0 0 "[ . 1 . 2]" 1
419 1 24 PHE HB3 1 28 GLU HA 3.400 . 5.000 4.462 4.354 4.576 . 0 0 "[ . 1 . 2]" 1
420 1 28 GLU HA 1 32 LEU QD 3.400 . 8.900 3.501 3.213 3.838 . 0 0 "[ . 1 . 2]" 1
421 1 28 GLU HA 1 31 GLN QB 3.400 . 6.000 3.504 2.289 3.926 . 0 0 "[ . 1 . 2]" 1
422 1 28 GLU HB3 1 32 LEU QD 3.400 . 8.900 1.923 1.756 2.298 0.044 20 0 "[ . 1 . 2]" 1
423 1 28 GLU HB2 1 32 LEU QD 3.400 . 8.900 2.899 2.078 3.366 . 0 0 "[ . 1 . 2]" 1
424 1 24 PHE HA 1 28 GLU QG 3.400 . 6.000 3.111 2.666 3.666 . 0 0 "[ . 1 . 2]" 1
425 1 24 PHE HB3 1 28 GLU QG 3.400 . 6.000 3.110 2.635 3.483 . 0 0 "[ . 1 . 2]" 1
426 1 25 THR MG 1 28 GLU QG 3.400 . 7.500 4.369 3.869 4.855 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU HA 1 28 GLU QG 3.400 . 6.000 4.714 4.464 4.931 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU QB 1 28 GLU QG 3.400 . 7.000 3.484 2.793 3.904 . 0 0 "[ . 1 . 2]" 1
429 1 28 GLU QG 1 32 LEU QD 3.400 . 9.900 3.618 3.242 4.046 . 0 0 "[ . 1 . 2]" 1
430 1 25 THR MG 1 28 GLU HB2 3.400 . 6.500 4.971 4.789 5.152 . 0 0 "[ . 1 . 2]" 1
431 1 24 PHE HB3 1 29 ALA H 3.400 . 5.000 4.678 4.139 4.890 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU HA 1 29 ALA H 3.400 . 5.000 4.165 3.859 4.697 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU QB 1 29 ALA H 3.400 . 6.000 4.795 4.239 5.215 . 0 0 "[ . 1 . 2]" 1
434 1 28 GLU HA 1 29 ALA H 2.900 . 4.000 3.443 3.361 3.533 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLU HB3 1 29 ALA H 3.400 . 5.000 4.050 3.849 4.215 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLU HB2 1 29 ALA H 2.900 . 4.000 3.071 2.715 3.341 . 0 0 "[ . 1 . 2]" 1
437 1 29 ALA H 1 30 ASN H 2.900 . 4.000 2.610 2.437 2.806 . 0 0 "[ . 1 . 2]" 1
438 1 29 ALA H 1 30 ASN QB 3.400 . 6.000 4.606 4.227 4.880 . 0 0 "[ . 1 . 2]" 1
439 1 29 ALA H 1 32 LEU QD 3.400 . 8.900 4.320 3.642 4.694 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLU HA 1 29 ALA HA 3.400 . 5.000 4.857 4.791 4.964 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLU HB3 1 29 ALA HA 3.400 . 5.000 4.720 4.478 4.939 . 0 0 "[ . 1 . 2]" 1
442 1 28 GLU HB2 1 29 ALA HA 3.400 . 5.000 4.376 4.207 4.591 . 0 0 "[ . 1 . 2]" 1
443 1 29 ALA HA 1 32 LEU QB 2.900 . 4.000 2.796 2.299 3.126 . 0 0 "[ . 1 . 2]" 1
444 1 29 ALA HA 1 32 LEU HG 3.400 . 5.000 4.457 4.149 4.693 . 0 0 "[ . 1 . 2]" 1
445 1 26 ASP HB3 1 29 ALA MB 2.900 . 5.500 3.944 3.899 3.989 . 0 0 "[ . 1 . 2]" 1
446 1 29 ALA MB 1 30 ASN HA 3.400 . 6.500 3.842 3.725 3.998 . 0 0 "[ . 1 . 2]" 1
447 1 29 ALA MB 1 32 LEU QD 2.900 . 9.400 4.475 3.983 4.660 . 0 0 "[ . 1 . 2]" 1
448 1 29 ALA MB 1 49 VAL MG2 3.400 . 8.000 5.324 5.143 5.449 . 0 0 "[ . 1 . 2]" 1
449 1 26 ASP HA 1 30 ASN H 3.400 . 5.000 4.447 3.988 4.910 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU HA 1 30 ASN H 3.400 . 5.000 4.131 3.831 4.468 . 0 0 "[ . 1 . 2]" 1
451 1 29 ALA HA 1 30 ASN H 2.900 . 4.000 3.532 3.429 3.586 . 0 0 "[ . 1 . 2]" 1
452 1 29 ALA MB 1 30 ASN H 2.400 . 4.500 2.673 2.393 3.063 . 0 0 "[ . 1 . 2]" 1
453 1 30 ASN H 1 31 GLN H 2.400 . 3.000 2.501 2.288 2.680 . 0 0 "[ . 1 . 2]" 1
454 1 30 ASN H 1 31 GLN QB 3.400 . 6.000 4.418 3.807 4.800 . 0 0 "[ . 1 . 2]" 1
455 1 30 ASN H 1 31 GLN QG 3.400 . 6.000 3.911 3.402 5.366 . 0 0 "[ . 1 . 2]" 1
456 1 29 ALA HA 1 30 ASN HA 3.400 . 5.000 4.769 4.708 4.853 . 0 0 "[ . 1 . 2]" 1
457 1 29 ALA MB 1 30 ASN QB 3.400 . 7.500 4.047 3.629 4.470 . 0 0 "[ . 1 . 2]" 1
458 1 30 ASN QB 1 31 GLN QG 3.400 . 7.000 4.558 3.648 5.439 . 0 0 "[ . 1 . 2]" 1
459 1 29 ALA MB 1 30 ASN HD21 3.400 . 6.500 4.565 3.092 5.984 . 0 0 "[ . 1 . 2]" 1
460 1 27 LEU QB 1 30 ASN HD22 3.400 . 6.000 5.322 3.557 6.778 0.778 13 3 "[ .-* 1 + . 2]" 1
461 1 29 ALA MB 1 30 ASN HD22 3.400 . 6.500 4.577 3.372 6.016 . 0 0 "[ . 1 . 2]" 1
462 1 29 ALA HA 1 31 GLN H 3.400 . 5.000 3.969 3.667 4.596 . 0 0 "[ . 1 . 2]" 1
463 1 29 ALA MB 1 31 GLN H 3.400 . 6.500 4.313 4.099 4.640 . 0 0 "[ . 1 . 2]" 1
464 1 30 ASN HA 1 31 GLN H 2.900 . 4.000 3.440 3.295 3.571 . 0 0 "[ . 1 . 2]" 1
465 1 30 ASN QB 1 31 GLN H 2.900 . 5.000 3.234 2.443 3.856 . 0 0 "[ . 1 . 2]" 1
466 1 31 GLN H 1 32 LEU H 2.400 . 3.000 2.086 1.867 2.465 . 0 0 "[ . 1 . 2]" 1
467 1 31 GLN H 1 32 LEU QB 3.400 . 5.000 4.006 3.847 4.348 . 0 0 "[ . 1 . 2]" 1
468 1 31 GLN H 1 32 LEU HG 3.400 . 5.000 3.749 3.305 4.173 . 0 0 "[ . 1 . 2]" 1
469 1 31 GLN H 1 32 LEU QD 3.400 . 8.900 4.256 3.979 4.555 . 0 0 "[ . 1 . 2]" 1
470 1 31 GLN HA 1 32 LEU QD 3.400 . 8.900 4.747 4.403 5.267 . 0 0 "[ . 1 . 2]" 1
471 1 31 GLN QB 1 32 LEU HG 3.400 . 6.000 3.911 3.229 4.171 . 0 0 "[ . 1 . 2]" 1
472 1 31 GLN QB 1 32 LEU QD 3.400 . 9.900 3.806 3.395 4.259 . 0 0 "[ . 1 . 2]" 1
473 1 31 GLN QB 1 43 THR MG 3.400 . 7.500 4.464 4.015 5.132 . 0 0 "[ . 1 . 2]" 1
474 1 31 GLN QG 1 32 LEU QB 3.400 . 6.000 3.377 3.157 4.009 . 0 0 "[ . 1 . 2]" 1
475 1 31 GLN QG 1 32 LEU HG 3.400 . 6.000 1.881 1.765 2.158 0.035 15 0 "[ . 1 . 2]" 1
476 1 31 GLN QG 1 32 LEU QD 3.400 . 9.900 2.343 1.915 2.959 . 0 0 "[ . 1 . 2]" 1
477 1 31 GLN QG 1 43 THR MG 3.400 . 7.500 3.427 2.643 4.187 . 0 0 "[ . 1 . 2]" 1
478 1 27 LEU QB 1 31 GLN HE21 3.400 . 6.000 4.841 3.740 6.267 0.267 3 0 "[ . 1 . 2]" 1
479 1 27 LEU QB 1 31 GLN HE22 3.400 . 6.000 5.118 4.125 6.168 0.168 9 0 "[ . 1 . 2]" 1
480 1 32 LEU H 1 32 LEU HA 2.400 . 3.000 2.975 2.944 3.003 0.003 11 0 "[ . 1 . 2]" 1
481 1 32 LEU H 1 32 LEU QB 2.900 . 3.000 2.309 2.161 2.493 . 0 0 "[ . 1 . 2]" 1
482 1 32 LEU H 1 32 LEU HG 2.900 . 4.000 2.531 2.217 2.931 . 0 0 "[ . 1 . 2]" 1
483 1 32 LEU H 1 32 LEU QD 2.900 . 7.900 3.230 3.063 3.432 . 0 0 "[ . 1 . 2]" 1
484 1 32 LEU HA 1 32 LEU QB 2.400 . 3.000 2.403 2.330 2.448 . 0 0 "[ . 1 . 2]" 1
485 1 29 ALA HA 1 32 LEU H 3.400 . 5.000 3.413 3.228 3.522 . 0 0 "[ . 1 . 2]" 1
486 1 30 ASN H 1 32 LEU H 3.400 . 5.000 3.945 3.711 4.189 . 0 0 "[ . 1 . 2]" 1
487 1 30 ASN HA 1 32 LEU H 3.400 . 5.000 4.415 3.962 4.701 . 0 0 "[ . 1 . 2]" 1
488 1 31 GLN HA 1 32 LEU H 2.900 . 4.000 3.471 3.349 3.542 . 0 0 "[ . 1 . 2]" 1
489 1 31 GLN QB 1 32 LEU H 2.900 . 5.000 3.576 3.293 3.789 . 0 0 "[ . 1 . 2]" 1
490 1 31 GLN QG 1 32 LEU H 3.400 . 6.000 2.366 1.961 3.392 . 0 0 "[ . 1 . 2]" 1
491 1 32 LEU H 1 33 PHE H 2.900 . 4.000 2.210 1.904 2.404 . 0 0 "[ . 1 . 2]" 1
492 1 32 LEU H 1 33 PHE HB3 3.400 . 5.000 4.458 3.999 4.814 . 0 0 "[ . 1 . 2]" 1
493 1 32 LEU H 1 33 PHE HB2 3.400 . 5.000 4.240 3.938 4.507 . 0 0 "[ . 1 . 2]" 1
494 1 32 LEU H 1 43 THR MG 3.400 . 6.500 5.225 5.076 5.366 . 0 0 "[ . 1 . 2]" 1
495 1 31 GLN QB 1 32 LEU HA 3.400 . 6.000 4.632 4.411 4.849 . 0 0 "[ . 1 . 2]" 1
496 1 32 LEU HA 1 43 THR MG 2.900 . 5.500 3.767 3.582 3.902 . 0 0 "[ . 1 . 2]" 1
497 1 32 LEU QB 1 40 PHE HA 3.400 . 5.000 3.322 3.034 3.702 . 0 0 "[ . 1 . 2]" 1
498 1 32 LEU QB 1 40 PHE HB3 3.400 . 4.000 2.394 2.140 2.663 . 0 0 "[ . 1 . 2]" 1
499 1 32 LEU QB 1 40 PHE HB2 3.400 . 5.000 3.837 3.554 4.151 . 0 0 "[ . 1 . 2]" 1
500 1 28 GLU HB2 1 32 LEU HG 3.400 . 5.000 4.333 3.985 4.683 . 0 0 "[ . 1 . 2]" 1
501 1 32 LEU HG 1 43 THR MG 3.400 . 6.500 3.505 3.057 3.971 . 0 0 "[ . 1 . 2]" 1
502 1 29 ALA HA 1 32 LEU QD 2.900 . 7.900 3.651 3.136 3.935 . 0 0 "[ . 1 . 2]" 1
503 1 32 LEU QD 1 40 PHE HB3 3.400 . 8.900 3.430 3.158 3.712 . 0 0 "[ . 1 . 2]" 1
504 1 32 LEU QD 1 42 CYS HA 3.400 . 8.900 3.006 2.601 3.425 . 0 0 "[ . 1 . 2]" 1
505 1 32 LEU QD 1 43 THR MG 3.400 . 10.400 1.717 1.582 2.204 0.218 16 0 "[ . 1 . 2]" 1
506 1 33 PHE H 1 33 PHE HA 2.400 . 3.000 2.865 2.781 2.928 . 0 0 "[ . 1 . 2]" 1
507 1 33 PHE H 1 33 PHE HB3 2.400 . 3.000 2.486 2.228 2.701 . 0 0 "[ . 1 . 2]" 1
508 1 33 PHE H 1 33 PHE HB2 2.400 . 3.000 2.393 2.214 2.671 . 0 0 "[ . 1 . 2]" 1
509 1 33 PHE H 1 33 PHE QD 3.400 . 7.000 4.093 4.000 4.134 . 0 0 "[ . 1 . 2]" 1
510 1 33 PHE HA 1 33 PHE QD 2.400 . 5.000 2.558 1.958 3.177 . 0 0 "[ . 1 . 2]" 1
511 1 33 PHE HA 1 33 PHE QE 2.400 . 5.000 4.458 4.190 4.790 . 0 0 "[ . 1 . 2]" 1
512 1 33 PHE HB3 1 33 PHE QD 2.400 . 5.000 2.380 2.302 2.570 . 0 0 "[ . 1 . 2]" 1
513 1 33 PHE HB2 1 33 PHE QD 2.900 . 6.000 2.529 2.307 2.737 . 0 0 "[ . 1 . 2]" 1
514 1 30 ASN HA 1 33 PHE H 3.400 . 5.000 3.991 3.574 4.220 . 0 0 "[ . 1 . 2]" 1
515 1 31 GLN H 1 33 PHE H 3.400 . 5.000 3.544 3.224 4.002 . 0 0 "[ . 1 . 2]" 1
516 1 32 LEU HA 1 33 PHE H 2.900 . 4.000 3.449 3.317 3.525 . 0 0 "[ . 1 . 2]" 1
517 1 32 LEU QB 1 33 PHE H 3.400 . 4.000 2.978 2.700 3.338 . 0 0 "[ . 1 . 2]" 1
518 1 32 LEU QD 1 33 PHE H 3.400 . 8.900 4.211 4.126 4.347 . 0 0 "[ . 1 . 2]" 1
519 1 33 PHE H 1 34 ASP H 3.400 . 5.000 4.638 4.561 4.686 . 0 0 "[ . 1 . 2]" 1
520 1 33 PHE HA 1 40 PHE HA 2.400 . 3.000 1.874 1.838 1.951 . 0 0 "[ . 1 . 2]" 1
521 1 33 PHE HA 1 40 PHE HB3 3.400 . 5.000 3.743 3.507 3.992 . 0 0 "[ . 1 . 2]" 1
522 1 30 ASN HA 1 33 PHE HB3 3.400 . 5.000 3.506 2.856 3.987 . 0 0 "[ . 1 . 2]" 1
523 1 30 ASN HA 1 33 PHE HB2 3.400 . 5.000 3.682 3.321 3.949 . 0 0 "[ . 1 . 2]" 1
524 1 33 PHE QD 1 40 PHE QD 3.400 . 9.000 3.133 2.703 3.634 . 0 0 "[ . 1 . 2]" 1
525 1 33 PHE QD 1 40 PHE QE 3.400 . 9.000 2.858 2.390 3.261 . 0 0 "[ . 1 . 2]" 1
526 1 33 PHE QD 1 40 PHE HZ 3.400 . 7.000 3.376 2.809 4.193 . 0 0 "[ . 1 . 2]" 1
527 1 33 PHE QD 1 34 ASP H 3.400 . 7.000 3.232 2.718 3.735 . 0 0 "[ . 1 . 2]" 1
528 1 29 ALA MB 1 33 PHE QD 3.400 . 8.500 4.700 4.191 5.084 . 0 0 "[ . 1 . 2]" 1
529 1 30 ASN HA 1 33 PHE QD 3.400 . 7.000 4.757 4.263 4.988 . 0 0 "[ . 1 . 2]" 1
530 1 32 LEU QD 1 33 PHE QD 3.400 . 10.900 6.171 6.001 6.354 . 0 0 "[ . 1 . 2]" 1
531 1 33 PHE QD 1 34 ASP HA 3.400 . 7.000 4.038 3.120 4.946 . 0 0 "[ . 1 . 2]" 1
532 1 33 PHE QD 1 35 PRO QB 3.400 . 8.000 4.922 4.372 5.359 . 0 0 "[ . 1 . 2]" 1
533 1 33 PHE QD 1 35 PRO QG 3.400 . 8.000 5.357 4.676 5.914 . 0 0 "[ . 1 . 2]" 1
534 1 33 PHE QD 1 35 PRO QD 3.400 . 7.000 3.905 2.978 4.554 . 0 0 "[ . 1 . 2]" 1
535 1 33 PHE QD 1 38 GLY QA 3.400 . 8.000 4.702 4.427 5.139 . 0 0 "[ . 1 . 2]" 1
536 1 33 PHE QD 1 39 THR HA 3.400 . 7.000 3.458 3.020 4.408 . 0 0 "[ . 1 . 2]" 1
537 1 33 PHE QD 1 39 THR MG 3.400 . 8.500 4.747 4.154 5.481 . 0 0 "[ . 1 . 2]" 1
538 1 33 PHE QD 1 40 PHE HA 3.400 . 7.000 3.572 2.912 4.501 . 0 0 "[ . 1 . 2]" 1
539 1 33 PHE QD 1 40 PHE HB3 3.400 . 7.000 4.732 4.271 5.413 . 0 0 "[ . 1 . 2]" 1
540 1 29 ALA MB 1 33 PHE QE 3.400 . 8.500 6.134 5.759 6.328 . 0 0 "[ . 1 . 2]" 1
541 1 33 PHE QE 1 35 PRO QB 3.400 . 8.000 4.036 2.940 4.804 . 0 0 "[ . 1 . 2]" 1
542 1 33 PHE QE 1 35 PRO QG 3.400 . 8.000 5.268 4.183 6.128 . 0 0 "[ . 1 . 2]" 1
543 1 33 PHE QE 1 35 PRO QD 3.400 . 8.000 4.449 3.346 5.404 . 0 0 "[ . 1 . 2]" 1
544 1 33 PHE QE 1 38 GLY QA 2.900 . 7.000 3.305 2.721 3.793 . 0 0 "[ . 1 . 2]" 1
545 1 33 PHE QE 1 39 THR HA 3.400 . 7.000 2.999 2.004 4.397 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE QE 1 39 THR MG 3.400 . 8.500 4.348 3.396 5.488 . 0 0 "[ . 1 . 2]" 1
547 1 33 PHE HZ 1 38 GLY QA 2.900 . 5.000 2.896 2.380 3.407 . 0 0 "[ . 1 . 2]" 1
548 1 33 PHE HA 1 34 ASP H 2.400 . 3.000 2.255 2.203 2.331 . 0 0 "[ . 1 . 2]" 1
549 1 33 PHE HB2 1 34 ASP H 3.400 . 5.000 4.249 4.125 4.429 . 0 0 "[ . 1 . 2]" 1
550 1 34 ASP H 1 37 THR HG1 3.400 . 6.500 3.279 2.861 3.862 . 0 0 "[ . 1 . 2]" 1
551 1 34 ASP H 1 39 THR H 2.900 . 4.000 3.172 2.665 3.457 . 0 0 "[ . 1 . 2]" 1
552 1 34 ASP H 1 40 PHE HA 2.900 . 4.000 3.263 2.788 3.494 . 0 0 "[ . 1 . 2]" 1
553 1 34 ASP HA 1 35 PRO QG 3.400 . 6.000 3.855 3.827 3.886 . 0 0 "[ . 1 . 2]" 1
554 1 34 ASP HA 1 35 PRO QD 2.400 . 4.000 1.949 1.928 1.973 . 0 0 "[ . 1 . 2]" 1
555 1 34 ASP QB 1 35 PRO QD 3.400 . 7.000 2.950 2.541 3.385 . 0 0 "[ . 1 . 2]" 1
556 1 34 ASP QB 1 41 ARG QG 3.400 . 7.000 2.935 2.233 3.845 . 0 0 "[ . 1 . 2]" 1
557 1 34 ASP QB 1 41 ARG QD 3.400 . 7.000 3.543 2.084 5.452 . 0 0 "[ . 1 . 2]" 1
558 1 36 MET H 1 36 MET HA 2.400 . 3.000 2.899 2.804 2.984 . 0 0 "[ . 1 . 2]" 1
559 1 36 MET H 1 36 MET QB 2.400 . 4.000 2.430 2.217 2.615 . 0 0 "[ . 1 . 2]" 1
560 1 36 MET HA 1 36 MET QB 2.400 . 3.000 2.202 2.199 2.205 . 0 0 "[ . 1 . 2]" 1
561 1 34 ASP HA 1 36 MET H 3.400 . 5.000 3.742 3.550 4.065 . 0 0 "[ . 1 . 2]" 1
562 1 34 ASP QB 1 36 MET H 3.400 . 6.000 2.664 2.212 3.265 . 0 0 "[ . 1 . 2]" 1
563 1 35 PRO HA 1 36 MET H 3.400 . 5.000 3.431 3.320 3.566 . 0 0 "[ . 1 . 2]" 1
564 1 35 PRO QB 1 36 MET H 3.400 . 6.000 3.493 3.093 3.731 . 0 0 "[ . 1 . 2]" 1
565 1 35 PRO QD 1 36 MET H 2.900 . 5.000 2.631 2.378 2.859 . 0 0 "[ . 1 . 2]" 1
566 1 36 MET H 1 37 THR MG 3.400 . 6.500 3.546 3.189 3.984 . 0 0 "[ . 1 . 2]" 1
567 1 36 MET H 1 38 GLY H 3.400 . 5.000 3.743 3.323 4.151 . 0 0 "[ . 1 . 2]" 1
568 1 36 MET HA 1 37 THR MG 3.400 . 6.500 4.760 4.519 4.910 . 0 0 "[ . 1 . 2]" 1
569 1 36 MET QB 1 37 THR MG 3.400 . 5.500 4.043 3.811 4.240 . 0 0 "[ . 1 . 2]" 1
570 1 34 ASP QB 1 37 THR H 3.400 . 6.000 2.964 2.346 4.052 . 0 0 "[ . 1 . 2]" 1
571 1 36 MET H 1 37 THR H 2.900 . 4.000 2.530 2.137 2.799 . 0 0 "[ . 1 . 2]" 1
572 1 36 MET HA 1 37 THR H 3.400 . 5.000 3.488 3.384 3.576 . 0 0 "[ . 1 . 2]" 1
573 1 36 MET QB 1 37 THR H 2.900 . 4.000 3.565 3.326 3.758 . 0 0 "[ . 1 . 2]" 1
574 1 37 THR H 1 38 GLY H 2.400 . 3.000 1.938 1.843 2.136 . 0 0 "[ . 1 . 2]" 1
575 1 37 THR H 1 38 GLY QA 3.400 . 6.000 3.906 3.658 4.131 . 0 0 "[ . 1 . 2]" 1
576 1 36 MET QB 1 37 THR HA 3.400 . 5.000 4.662 4.480 4.939 . 0 0 "[ . 1 . 2]" 1
577 1 34 ASP QB 1 38 GLY H 3.400 . 6.000 3.839 3.410 4.657 . 0 0 "[ . 1 . 2]" 1
578 1 36 MET QB 1 38 GLY H 3.400 . 5.000 5.074 4.844 5.295 0.295 19 0 "[ . 1 . 2]" 1
579 1 37 THR HA 1 38 GLY H 2.900 . 4.000 3.446 3.319 3.566 . 0 0 "[ . 1 . 2]" 1
580 1 37 THR HB 1 38 GLY H 3.400 . 5.000 4.176 3.825 4.366 . 0 0 "[ . 1 . 2]" 1
581 1 37 THR MG 1 38 GLY H 2.900 . 5.500 2.169 1.767 2.689 0.033 19 0 "[ . 1 . 2]" 1
582 1 38 GLY H 1 39 THR H 2.400 . 3.000 2.451 1.890 2.785 . 0 0 "[ . 1 . 2]" 1
583 1 34 ASP QB 1 39 THR H 3.400 . 6.000 3.725 2.877 4.907 . 0 0 "[ . 1 . 2]" 1
584 1 37 THR HB 1 39 THR H 3.400 . 5.000 4.563 4.200 4.939 . 0 0 "[ . 1 . 2]" 1
585 1 38 GLY QA 1 39 THR H 2.900 . 5.000 2.848 2.767 2.930 . 0 0 "[ . 1 . 2]" 1
586 1 39 THR H 1 40 PHE H 3.400 . 5.000 4.380 4.244 4.447 . 0 0 "[ . 1 . 2]" 1
587 1 37 THR MG 1 39 THR MG 2.900 . 7.000 4.043 3.563 4.269 . 0 0 "[ . 1 . 2]" 1
588 1 39 THR MG 1 48 GLU QG 2.900 . 6.500 3.544 2.908 4.078 . 0 0 "[ . 1 . 2]" 1
589 1 39 THR MG 1 50 GLU HA 3.400 . 6.500 4.534 3.648 5.199 . 0 0 "[ . 1 . 2]" 1
590 1 40 PHE H 1 40 PHE HB3 2.900 . 4.000 3.629 3.586 3.680 . 0 0 "[ . 1 . 2]" 1
591 1 40 PHE H 1 40 PHE HB2 2.400 . 3.000 2.490 2.408 2.571 . 0 0 "[ . 1 . 2]" 1
592 1 40 PHE H 1 40 PHE QD 2.900 . 6.000 2.191 1.879 2.719 . 0 0 "[ . 1 . 2]" 1
593 1 40 PHE H 1 40 PHE QE 3.400 . 7.000 4.123 3.813 4.377 . 0 0 "[ . 1 . 2]" 1
594 1 40 PHE HA 1 40 PHE QD 2.900 . 6.000 2.870 2.552 3.102 . 0 0 "[ . 1 . 2]" 1
595 1 40 PHE HB2 1 40 PHE QD 2.900 . 6.000 2.410 2.323 2.520 . 0 0 "[ . 1 . 2]" 1
596 1 40 PHE HB3 1 40 PHE QD 2.900 . 6.000 2.429 2.335 2.548 . 0 0 "[ . 1 . 2]" 1
597 1 39 THR HA 1 40 PHE H 2.400 . 3.000 2.688 2.517 2.888 . 0 0 "[ . 1 . 2]" 1
598 1 39 THR HB 1 40 PHE H 2.400 . 3.000 2.416 1.865 2.865 . 0 0 "[ . 1 . 2]" 1
599 1 39 THR MG 1 40 PHE H 2.900 . 5.500 2.468 1.861 3.187 . 0 0 "[ . 1 . 2]" 1
600 1 40 PHE H 1 48 GLU QG 3.400 . 6.000 4.491 4.099 5.110 . 0 0 "[ . 1 . 2]" 1
601 1 40 PHE H 1 49 VAL MG1 3.400 . 6.500 5.349 5.297 5.381 . 0 0 "[ . 1 . 2]" 1
602 1 40 PHE H 1 49 VAL MG2 3.400 . 6.500 3.121 3.018 3.245 . 0 0 "[ . 1 . 2]" 1
603 1 32 LEU QD 1 40 PHE HA 3.400 . 8.900 4.556 4.325 4.812 . 0 0 "[ . 1 . 2]" 1
604 1 40 PHE HA 1 49 VAL MG2 3.400 . 6.500 3.778 3.666 3.912 . 0 0 "[ . 1 . 2]" 1
605 1 32 LEU HA 1 40 PHE HB3 3.400 . 5.000 4.824 4.516 5.022 0.022 14 0 "[ . 1 . 2]" 1
606 1 40 PHE HB3 1 49 VAL MG2 2.900 . 5.500 2.619 2.303 2.852 . 0 0 "[ . 1 . 2]" 1
607 1 32 LEU QD 1 40 PHE HB2 3.400 . 8.900 4.435 4.120 4.792 . 0 0 "[ . 1 . 2]" 1
608 1 40 PHE HB2 1 49 VAL MG2 2.900 . 5.500 1.860 1.804 1.991 . 0 0 "[ . 1 . 2]" 1
609 1 32 LEU H 1 40 PHE QD 3.400 . 7.000 3.720 3.532 4.052 . 0 0 "[ . 1 . 2]" 1
610 1 33 PHE H 1 40 PHE QD 3.400 . 7.000 2.728 2.352 3.049 . 0 0 "[ . 1 . 2]" 1
611 1 34 ASP H 1 40 PHE QD 3.400 . 7.000 4.804 4.287 5.294 . 0 0 "[ . 1 . 2]" 1
612 1 32 LEU H 1 40 PHE QE 3.400 . 7.000 5.120 4.588 5.583 . 0 0 "[ . 1 . 2]" 1
613 1 33 PHE H 1 40 PHE QE 3.400 . 7.000 4.027 3.687 4.455 . 0 0 "[ . 1 . 2]" 1
614 1 29 ALA HA 1 40 PHE QD 3.400 . 7.000 2.266 1.872 3.023 . 0 0 "[ . 1 . 2]" 1
615 1 29 ALA MB 1 40 PHE QD 2.900 . 7.500 3.214 2.822 3.546 . 0 0 "[ . 1 . 2]" 1
616 1 30 ASN HA 1 40 PHE QD 3.400 . 7.000 4.999 4.678 5.380 . 0 0 "[ . 1 . 2]" 1
617 1 32 LEU HA 1 40 PHE QD 3.400 . 7.000 4.965 4.485 5.325 . 0 0 "[ . 1 . 2]" 1
618 1 32 LEU QB 1 40 PHE QD 2.900 . 6.000 2.825 2.213 3.269 . 0 0 "[ . 1 . 2]" 1
619 1 32 LEU HG 1 40 PHE QD 3.400 . 7.000 5.135 4.818 5.692 . 0 0 "[ . 1 . 2]" 1
620 1 32 LEU QD 1 40 PHE QD 2.400 . 8.900 4.186 3.611 4.556 . 0 0 "[ . 1 . 2]" 1
621 1 33 PHE HA 1 40 PHE QD 2.900 . 6.000 2.786 2.115 3.390 . 0 0 "[ . 1 . 2]" 1
622 1 33 PHE HB2 1 40 PHE QD 3.400 . 7.000 2.390 1.855 2.907 . 0 0 "[ . 1 . 2]" 1
623 1 39 THR MG 1 40 PHE QD 3.400 . 8.500 3.071 2.090 3.850 . 0 0 "[ . 1 . 2]" 1
624 1 40 PHE QD 1 49 VAL MG1 3.400 . 8.500 5.325 5.205 5.426 . 0 0 "[ . 1 . 2]" 1
625 1 40 PHE QD 1 49 VAL MG2 2.900 . 7.500 3.208 2.949 3.499 . 0 0 "[ . 1 . 2]" 1
626 1 29 ALA HA 1 40 PHE QE 3.400 . 7.000 3.095 2.491 3.869 . 0 0 "[ . 1 . 2]" 1
627 1 29 ALA MB 1 40 PHE QE 2.900 . 6.500 2.336 1.912 3.028 . 0 0 "[ . 1 . 2]" 1
628 1 30 ASN HA 1 40 PHE QE 3.400 . 7.000 4.103 3.427 4.403 . 0 0 "[ . 1 . 2]" 1
629 1 32 LEU QB 1 40 PHE QE 3.400 . 7.000 4.792 4.071 5.123 . 0 0 "[ . 1 . 2]" 1
630 1 32 LEU QD 1 40 PHE QE 3.400 . 10.900 5.643 4.979 5.972 . 0 0 "[ . 1 . 2]" 1
631 1 33 PHE HA 1 40 PHE QE 3.400 . 7.000 4.043 3.706 4.563 . 0 0 "[ . 1 . 2]" 1
632 1 33 PHE HB3 1 40 PHE QE 3.400 . 7.000 3.836 3.396 4.445 . 0 0 "[ . 1 . 2]" 1
633 1 33 PHE HB2 1 40 PHE QE 2.900 . 6.000 2.279 1.869 2.761 . 0 0 "[ . 1 . 2]" 1
634 1 40 PHE QE 1 49 VAL MG2 3.400 . 8.500 4.968 4.785 5.165 . 0 0 "[ . 1 . 2]" 1
635 1 33 PHE HB2 1 40 PHE HZ 3.400 . 5.000 4.235 3.629 4.845 . 0 0 "[ . 1 . 2]" 1
636 1 41 ARG H 1 41 ARG HB3 2.900 . 4.000 3.491 3.448 3.564 . 0 0 "[ . 1 . 2]" 1
637 1 41 ARG H 1 41 ARG HB2 2.400 . 3.000 2.194 2.130 2.292 . 0 0 "[ . 1 . 2]" 1
638 1 41 ARG H 1 41 ARG QG 3.400 . 6.000 3.139 3.060 3.257 . 0 0 "[ . 1 . 2]" 1
639 1 41 ARG H 1 41 ARG QD 3.400 . 6.000 4.427 3.734 4.809 . 0 0 "[ . 1 . 2]" 1
640 1 41 ARG HB3 1 41 ARG HE 3.400 . 5.000 3.724 2.412 4.503 . 0 0 "[ . 1 . 2]" 1
641 1 41 ARG HB2 1 41 ARG HE 3.400 . 5.000 4.252 2.477 4.686 . 0 0 "[ . 1 . 2]" 1
642 1 41 ARG HE 1 41 ARG QG 3.400 . 6.000 2.228 1.960 2.884 . 0 0 "[ . 1 . 2]" 1
643 1 32 LEU HA 1 41 ARG H 3.400 . 5.000 3.596 3.298 3.801 . 0 0 "[ . 1 . 2]" 1
644 1 32 LEU QB 1 41 ARG H 2.900 . 4.000 2.793 2.326 3.400 . 0 0 "[ . 1 . 2]" 1
645 1 32 LEU QD 1 41 ARG H 3.400 . 8.900 3.692 3.381 3.956 . 0 0 "[ . 1 . 2]" 1
646 1 33 PHE HA 1 41 ARG H 3.400 . 5.000 3.495 3.360 3.552 . 0 0 "[ . 1 . 2]" 1
647 1 40 PHE H 1 41 ARG H 3.400 . 5.000 4.511 4.438 4.555 . 0 0 "[ . 1 . 2]" 1
648 1 40 PHE HA 1 41 ARG H 2.400 . 3.000 2.228 2.194 2.271 . 0 0 "[ . 1 . 2]" 1
649 1 40 PHE HB3 1 41 ARG H 3.400 . 5.000 3.397 3.176 3.529 . 0 0 "[ . 1 . 2]" 1
650 1 40 PHE HB2 1 41 ARG H 3.400 . 5.000 4.152 4.022 4.296 . 0 0 "[ . 1 . 2]" 1
651 1 40 PHE QD 1 41 ARG H 3.400 . 7.000 4.419 4.229 4.581 . 0 0 "[ . 1 . 2]" 1
652 1 41 ARG H 1 42 CYS H 3.400 . 5.000 4.541 4.484 4.567 . 0 0 "[ . 1 . 2]" 1
653 1 41 ARG H 1 49 VAL MG1 3.400 . 6.500 4.573 4.369 4.730 . 0 0 "[ . 1 . 2]" 1
654 1 41 ARG H 1 49 VAL MG2 3.400 . 6.500 3.831 3.604 4.045 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU QD 1 41 ARG HA 3.400 . 8.900 4.666 4.421 5.055 . 0 0 "[ . 1 . 2]" 1
656 1 41 ARG HA 1 46 HIS HA 3.400 . 5.000 4.773 4.658 4.909 . 0 0 "[ . 1 . 2]" 1
657 1 41 ARG HA 1 48 GLU QB 3.400 . 6.000 4.697 4.444 4.864 . 0 0 "[ . 1 . 2]" 1
658 1 41 ARG HA 1 48 GLU QG 3.400 . 6.000 3.926 3.430 4.494 . 0 0 "[ . 1 . 2]" 1
659 1 41 ARG HB3 1 46 HIS HA 2.900 . 4.000 3.325 3.307 3.343 . 0 0 "[ . 1 . 2]" 1
660 1 32 LEU QD 1 41 ARG HB2 3.400 . 8.900 4.188 3.700 4.575 . 0 0 "[ . 1 . 2]" 1
661 1 41 ARG HB2 1 46 HIS HA 3.400 . 5.000 4.998 4.935 5.015 0.015 16 0 "[ . 1 . 2]" 1
662 1 41 ARG QG 1 46 HIS HA 3.400 . 6.000 4.881 4.565 5.161 . 0 0 "[ . 1 . 2]" 1
663 1 41 ARG QG 1 46 HIS HB3 3.400 . 6.000 5.176 4.815 5.396 . 0 0 "[ . 1 . 2]" 1
664 1 41 ARG QG 1 48 GLU HA 3.400 . 6.000 2.969 2.644 3.301 . 0 0 "[ . 1 . 2]" 1
665 1 41 ARG QD 1 48 GLU HA 3.400 . 6.000 4.596 2.917 5.364 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU QD 1 42 CYS H 3.400 . 8.900 4.376 4.025 4.787 . 0 0 "[ . 1 . 2]" 1
667 1 41 ARG HA 1 42 CYS H 2.400 . 3.000 2.237 2.212 2.268 . 0 0 "[ . 1 . 2]" 1
668 1 41 ARG HB3 1 42 CYS H 2.900 . 4.000 3.196 3.021 3.275 . 0 0 "[ . 1 . 2]" 1
669 1 41 ARG QG 1 42 CYS H 2.900 . 5.000 3.707 3.570 3.960 . 0 0 "[ . 1 . 2]" 1
670 1 42 CYS H 1 43 THR H 3.400 . 5.000 4.686 4.670 4.699 . 0 0 "[ . 1 . 2]" 1
671 1 42 CYS H 1 46 HIS H 3.400 . 5.000 4.971 4.826 5.017 0.017 1 0 "[ . 1 . 2]" 1
672 1 42 CYS H 1 46 HIS HA 2.900 . 4.000 3.392 3.294 3.523 . 0 0 "[ . 1 . 2]" 1
673 1 42 CYS H 1 49 VAL MG1 2.400 . 4.500 2.454 2.189 2.751 . 0 0 "[ . 1 . 2]" 1
674 1 42 CYS H 1 49 VAL MG2 3.400 . 6.500 3.877 3.718 4.056 . 0 0 "[ . 1 . 2]" 1
675 1 17 CYS HB2 1 42 CYS HA 3.400 . 5.000 4.062 3.973 4.135 . 0 0 "[ . 1 . 2]" 1
676 1 42 CYS QB 1 46 HIS HA 3.400 . 6.000 2.246 2.147 2.384 . 0 0 "[ . 1 . 2]" 1
677 1 42 CYS QB 1 47 THR HB 3.400 . 6.000 2.760 2.657 2.847 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU QD 1 43 THR H 2.900 . 7.900 3.315 3.003 3.691 . 0 0 "[ . 1 . 2]" 1
679 1 42 CYS HA 1 43 THR H 2.400 . 3.000 2.555 2.505 2.582 . 0 0 "[ . 1 . 2]" 1
680 1 42 CYS QB 1 43 THR H 3.400 . 6.000 3.165 3.105 3.222 . 0 0 "[ . 1 . 2]" 1
681 1 43 THR H 1 45 CYS H 3.400 . 5.000 3.479 3.381 3.589 . 0 0 "[ . 1 . 2]" 1
682 1 43 THR H 1 49 VAL MG1 3.400 . 6.500 4.415 4.201 4.564 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU QD 1 43 THR HA 3.400 . 8.900 3.004 2.703 3.305 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU QD 1 43 THR HB 3.400 . 8.900 3.447 3.344 3.642 . 0 0 "[ . 1 . 2]" 1
685 1 42 CYS HA 1 43 THR MG 3.400 . 6.500 4.716 4.526 4.878 . 0 0 "[ . 1 . 2]" 1
686 1 44 PHE H 1 44 PHE HA 2.400 . 3.000 2.984 2.981 2.986 . 0 0 "[ . 1 . 2]" 1
687 1 44 PHE H 1 44 PHE HB3 2.900 . 4.000 3.541 3.518 3.573 . 0 0 "[ . 1 . 2]" 1
688 1 44 PHE H 1 44 PHE HB2 3.400 . 5.000 3.349 3.262 3.388 . 0 0 "[ . 1 . 2]" 1
689 1 44 PHE H 1 44 PHE QD 2.900 . 6.000 2.439 2.376 2.539 . 0 0 "[ . 1 . 2]" 1
690 1 44 PHE HA 1 44 PHE HB3 2.400 . 3.000 2.248 2.242 2.254 . 0 0 "[ . 1 . 2]" 1
691 1 44 PHE HA 1 44 PHE HB2 2.400 . 3.000 2.803 2.786 2.836 . 0 0 "[ . 1 . 2]" 1
692 1 44 PHE HA 1 44 PHE QD 2.900 . 6.000 3.552 3.478 3.584 . 0 0 "[ . 1 . 2]" 1
693 1 44 PHE HA 1 44 PHE QE 2.900 . 6.000 5.400 5.335 5.429 . 0 0 "[ . 1 . 2]" 1
694 1 44 PHE HB3 1 44 PHE QD 2.900 . 6.000 2.328 2.320 2.345 . 0 0 "[ . 1 . 2]" 1
695 1 44 PHE HB2 1 44 PHE QD 2.900 . 6.000 2.529 2.495 2.549 . 0 0 "[ . 1 . 2]" 1
696 1 42 CYS HA 1 44 PHE H 3.400 . 5.000 4.265 4.193 4.302 . 0 0 "[ . 1 . 2]" 1
697 1 42 CYS QB 1 44 PHE H 3.400 . 6.000 3.559 3.484 3.650 . 0 0 "[ . 1 . 2]" 1
698 1 43 THR H 1 44 PHE H 2.900 . 4.000 1.966 1.884 2.029 . 0 0 "[ . 1 . 2]" 1
699 1 43 THR HA 1 44 PHE H 2.900 . 4.000 3.473 3.453 3.488 . 0 0 "[ . 1 . 2]" 1
700 1 43 THR HB 1 44 PHE H 3.400 . 5.000 3.367 3.286 3.454 . 0 0 "[ . 1 . 2]" 1
701 1 43 THR MG 1 44 PHE H 3.400 . 6.500 4.350 4.328 4.373 . 0 0 "[ . 1 . 2]" 1
702 1 44 PHE H 1 45 CYS H 2.400 . 3.000 2.070 2.030 2.121 . 0 0 "[ . 1 . 2]" 1
703 1 44 PHE H 1 45 CYS HB3 3.400 . 5.000 4.333 4.285 4.404 . 0 0 "[ . 1 . 2]" 1
704 1 44 PHE H 1 46 HIS H 2.900 . 4.000 3.157 3.041 3.235 . 0 0 "[ . 1 . 2]" 1
705 1 24 PHE HZ 1 44 PHE QD 3.400 . 7.000 3.838 3.600 4.061 . 0 0 "[ . 1 . 2]" 1
706 1 24 PHE HZ 1 44 PHE QE 2.900 . 6.000 2.067 1.870 2.414 . 0 0 "[ . 1 . 2]" 1
707 1 24 PHE HZ 1 44 PHE HZ 3.400 . 5.000 2.390 2.090 2.746 . 0 0 "[ . 1 . 2]" 1
708 1 22 SER H 1 44 PHE QE 3.400 . 7.000 3.814 3.701 4.029 . 0 0 "[ . 1 . 2]" 1
709 1 43 THR H 1 44 PHE QE 3.400 . 7.000 3.483 3.365 3.579 . 0 0 "[ . 1 . 2]" 1
710 1 44 PHE QE 1 45 CYS H 3.400 . 7.000 3.960 3.834 4.194 . 0 0 "[ . 1 . 2]" 1
711 1 20 CYS HB3 1 44 PHE QE 3.400 . 7.000 4.907 4.641 5.369 . 0 0 "[ . 1 . 2]" 1
712 1 22 SER HA 1 44 PHE QE 3.400 . 7.000 4.350 4.300 4.385 . 0 0 "[ . 1 . 2]" 1
713 1 22 SER HB3 1 44 PHE QE 2.900 . 6.000 2.330 2.126 2.453 . 0 0 "[ . 1 . 2]" 1
714 1 22 SER HB2 1 44 PHE QE 2.900 . 6.000 1.857 1.823 1.915 . 0 0 "[ . 1 . 2]" 1
715 1 43 THR HB 1 44 PHE QE 3.400 . 7.000 3.821 3.627 3.966 . 0 0 "[ . 1 . 2]" 1
716 1 43 THR MG 1 44 PHE QE 3.400 . 8.500 4.778 4.681 4.855 . 0 0 "[ . 1 . 2]" 1
717 1 44 PHE QE 1 45 CYS HB3 3.400 . 7.000 4.615 4.384 4.978 . 0 0 "[ . 1 . 2]" 1
718 1 20 CYS HB3 1 44 PHE QD 3.400 . 7.000 4.012 3.874 4.194 . 0 0 "[ . 1 . 2]" 1
719 1 22 SER HB3 1 44 PHE QD 3.400 . 7.000 4.474 4.199 4.652 . 0 0 "[ . 1 . 2]" 1
720 1 22 SER HB2 1 44 PHE QD 3.400 . 7.000 3.930 3.662 4.088 . 0 0 "[ . 1 . 2]" 1
721 1 44 PHE QD 1 45 CYS HB3 3.400 . 7.000 2.651 2.482 2.902 . 0 0 "[ . 1 . 2]" 1
722 1 22 SER HB3 1 44 PHE HZ 3.400 . 5.000 2.017 1.856 2.379 . 0 0 "[ . 1 . 2]" 1
723 1 22 SER HB2 1 44 PHE HZ 3.400 . 5.000 3.271 3.047 3.668 . 0 0 "[ . 1 . 2]" 1
724 1 45 CYS H 1 45 CYS HA 2.400 . 3.000 2.991 2.989 2.993 . 0 0 "[ . 1 . 2]" 1
725 1 45 CYS H 1 45 CYS HB3 2.900 . 4.000 2.464 2.419 2.524 . 0 0 "[ . 1 . 2]" 1
726 1 42 CYS HA 1 45 CYS H 3.400 . 5.000 4.962 4.892 5.003 0.003 5 0 "[ . 1 . 2]" 1
727 1 42 CYS QB 1 45 CYS H 2.900 . 5.000 3.091 3.005 3.152 . 0 0 "[ . 1 . 2]" 1
728 1 43 THR HA 1 45 CYS H 3.400 . 5.000 4.974 4.857 5.033 0.033 2 0 "[ . 1 . 2]" 1
729 1 44 PHE HA 1 45 CYS H 3.400 2.300 5.000 3.539 3.526 3.547 . 0 0 "[ . 1 . 2]" 1
730 1 44 PHE HB2 1 45 CYS H 2.900 . 4.000 3.072 2.901 3.217 . 0 0 "[ . 1 . 2]" 1
731 1 45 CYS HA 1 45 CYS HB3 2.400 . 3.000 2.733 2.722 2.745 . 0 0 "[ . 1 . 2]" 1
732 1 45 CYS HA 1 45 CYS HB2 2.400 . 3.000 2.279 2.273 2.285 . 0 0 "[ . 1 . 2]" 1
733 1 45 CYS H 1 46 HIS H 2.400 . 3.000 2.321 2.241 2.380 . 0 0 "[ . 1 . 2]" 1
734 1 45 CYS H 1 46 HIS HA 3.400 2.300 5.000 4.351 4.285 4.399 . 0 0 "[ . 1 . 2]" 1
735 1 45 CYS H 1 47 THR H 3.400 . 5.000 3.698 3.642 3.756 . 0 0 "[ . 1 . 2]" 1
736 1 46 HIS H 1 46 HIS HA 2.400 . 3.000 2.377 2.360 2.389 . 0 0 "[ . 1 . 2]" 1
737 1 46 HIS H 1 46 HIS HB3 2.900 . 4.000 3.926 3.885 3.976 . 0 0 "[ . 1 . 2]" 1
738 1 46 HIS H 1 46 HIS HB2 2.900 . 4.000 3.072 2.926 3.233 . 0 0 "[ . 1 . 2]" 1
739 1 46 HIS HA 1 46 HIS HB3 2.400 . 3.000 2.604 2.530 2.679 . 0 0 "[ . 1 . 2]" 1
740 1 46 HIS HA 1 46 HIS HB2 2.900 . 4.000 3.003 2.972 3.023 . 0 0 "[ . 1 . 2]" 1
741 1 42 CYS QB 1 46 HIS H 2.900 . 5.000 2.517 2.390 2.589 . 0 0 "[ . 1 . 2]" 1
742 1 43 THR HA 1 46 HIS H 3.400 . 5.000 4.207 4.104 4.303 . 0 0 "[ . 1 . 2]" 1
743 1 45 CYS HB3 1 46 HIS H 3.400 . 5.000 4.188 4.146 4.208 . 0 0 "[ . 1 . 2]" 1
744 1 45 CYS HB2 1 46 HIS H 3.400 . 5.000 4.624 4.607 4.631 . 0 0 "[ . 1 . 2]" 1
745 1 46 HIS H 1 47 THR H 2.900 . 4.000 3.167 3.079 3.225 . 0 0 "[ . 1 . 2]" 1
746 1 45 CYS HA 1 46 HIS H 3.400 . 5.000 3.076 3.040 3.151 . 0 0 "[ . 1 . 2]" 1
747 1 43 THR HA 1 46 HIS HD2 3.400 . 5.000 4.927 4.485 5.034 0.034 1 0 "[ . 1 . 2]" 1
748 1 45 CYS HA 1 46 HIS HD2 2.900 . 4.000 3.857 3.310 4.561 0.561 2 1 "[ + . 1 . 2]" 1
749 1 43 THR HA 1 46 HIS HE1 3.400 . 5.000 4.792 4.616 4.886 . 0 0 "[ . 1 . 2]" 1
750 1 43 THR MG 1 46 HIS HE1 3.400 . 6.500 5.238 5.138 5.293 . 0 0 "[ . 1 . 2]" 1
751 1 41 ARG HA 1 47 THR H 3.400 . 5.000 5.408 5.340 5.494 0.494 19 0 "[ . 1 . 2]" 1
752 1 42 CYS H 1 47 THR H 3.400 . 5.000 3.431 3.379 3.505 . 0 0 "[ . 1 . 2]" 1
753 1 42 CYS QB 1 47 THR H 2.900 . 4.000 1.729 1.715 1.750 0.085 3 0 "[ . 1 . 2]" 1
754 1 45 CYS HB2 1 47 THR H 3.400 . 5.000 4.570 4.480 4.630 . 0 0 "[ . 1 . 2]" 1
755 1 46 HIS HA 1 47 THR H 2.900 . 4.000 3.036 2.990 3.089 . 0 0 "[ . 1 . 2]" 1
756 1 46 HIS HB3 1 47 THR H 3.400 . 5.000 4.387 4.326 4.461 . 0 0 "[ . 1 . 2]" 1
757 1 46 HIS HB2 1 47 THR H 3.400 . 5.000 4.126 4.043 4.183 . 0 0 "[ . 1 . 2]" 1
758 1 47 THR H 1 49 VAL MG1 3.400 . 6.500 4.410 4.187 4.599 . 0 0 "[ . 1 . 2]" 1
759 1 17 CYS HB2 1 47 THR HB 3.400 . 5.000 4.497 4.460 4.554 . 0 0 "[ . 1 . 2]" 1
760 1 19 VAL HB 1 47 THR HB 3.400 . 5.000 2.348 2.257 2.546 . 0 0 "[ . 1 . 2]" 1
761 1 47 THR HB 1 49 VAL MG1 3.400 . 6.500 4.214 4.013 4.437 . 0 0 "[ . 1 . 2]" 1
762 1 47 THR MG 1 49 VAL MG1 3.400 . 8.000 3.845 3.614 4.063 . 0 0 "[ . 1 . 2]" 1
763 1 47 THR MG 1 49 VAL MG2 3.400 . 8.000 5.340 5.217 5.413 . 0 0 "[ . 1 . 2]" 1
764 1 41 ARG QG 1 48 GLU H 3.400 . 6.000 4.575 4.185 5.206 . 0 0 "[ . 1 . 2]" 1
765 1 47 THR HA 1 48 GLU H 2.400 . 3.000 2.290 2.233 2.374 . 0 0 "[ . 1 . 2]" 1
766 1 47 THR MG 1 48 GLU H 2.400 . 4.500 2.465 2.145 2.780 . 0 0 "[ . 1 . 2]" 1
767 1 48 GLU H 1 49 VAL H 3.400 . 5.000 4.589 4.479 4.684 . 0 0 "[ . 1 . 2]" 1
768 1 48 GLU H 1 49 VAL MG1 3.400 . 6.500 4.867 4.673 5.078 . 0 0 "[ . 1 . 2]" 1
769 1 39 THR HB 1 48 GLU HA 3.400 . 5.000 4.852 4.570 5.003 0.003 19 0 "[ . 1 . 2]" 1
770 1 48 GLU HA 1 49 VAL MG1 3.400 . 6.500 3.525 3.325 3.805 . 0 0 "[ . 1 . 2]" 1
771 1 48 GLU HA 1 49 VAL MG2 3.400 . 6.500 3.729 3.601 3.944 . 0 0 "[ . 1 . 2]" 1
772 1 39 THR HB 1 48 GLU QB 3.400 . 6.000 5.208 4.967 5.378 . 0 0 "[ . 1 . 2]" 1
773 1 39 THR MG 1 48 GLU QB 3.400 . 7.500 5.015 4.459 5.503 . 0 0 "[ . 1 . 2]" 1
774 1 47 THR MG 1 48 GLU QB 3.400 . 7.500 3.280 3.132 3.404 . 0 0 "[ . 1 . 2]" 1
775 1 39 THR HB 1 48 GLU QG 2.900 . 5.000 3.258 2.786 3.635 . 0 0 "[ . 1 . 2]" 1
776 1 41 ARG QG 1 48 GLU QG 3.400 . 7.000 3.498 2.536 4.480 . 0 0 "[ . 1 . 2]" 1
777 1 49 VAL H 1 49 VAL HA 2.400 . 3.000 2.969 2.943 3.000 0.000 19 0 "[ . 1 . 2]" 1
778 1 49 VAL H 1 49 VAL HB 2.900 . 4.000 3.596 3.561 3.650 . 0 0 "[ . 1 . 2]" 1
779 1 49 VAL H 1 49 VAL MG1 2.900 . 5.500 2.297 1.987 2.647 . 0 0 "[ . 1 . 2]" 1
780 1 49 VAL H 1 49 VAL MG2 2.900 . 5.500 1.932 1.810 2.122 . 0 0 "[ . 1 . 2]" 1
781 1 49 VAL HA 1 49 VAL MG1 2.400 . 4.500 2.353 2.201 2.500 . 0 0 "[ . 1 . 2]" 1
782 1 49 VAL HA 1 49 VAL MG2 2.900 . 5.500 3.178 3.174 3.182 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU QD 1 49 VAL H 3.400 . 8.900 5.514 5.157 5.953 . 0 0 "[ . 1 . 2]" 1
784 1 40 PHE HB2 1 49 VAL H 3.400 . 5.000 4.033 3.908 4.222 . 0 0 "[ . 1 . 2]" 1
785 1 41 ARG QG 1 49 VAL H 3.400 . 6.000 4.224 3.978 4.486 . 0 0 "[ . 1 . 2]" 1
786 1 48 GLU HA 1 49 VAL H 2.400 . 3.000 2.223 2.209 2.291 . 0 0 "[ . 1 . 2]" 1
787 1 48 GLU QB 1 49 VAL H 3.400 . 6.000 3.720 3.574 3.956 . 0 0 "[ . 1 . 2]" 1
788 1 48 GLU QG 1 49 VAL H 2.900 . 5.000 2.987 2.497 3.874 . 0 0 "[ . 1 . 2]" 1
789 1 41 ARG HA 1 49 VAL H 3.400 . 5.000 2.994 2.772 3.343 . 0 0 "[ . 1 . 2]" 1
790 1 49 VAL H 1 50 GLU H 3.400 . 5.000 4.588 4.479 4.644 . 0 0 "[ . 1 . 2]" 1
791 1 15 PHE QB 1 49 VAL HA 3.400 . 6.000 4.641 4.417 4.946 . 0 0 "[ . 1 . 2]" 1
792 1 18 PRO QD 1 49 VAL HA 2.900 . 5.000 2.190 1.937 2.500 . 0 0 "[ . 1 . 2]" 1
793 1 47 THR MG 1 49 VAL HA 3.400 . 6.500 3.974 3.794 4.199 . 0 0 "[ . 1 . 2]" 1
794 1 15 PHE QB 1 49 VAL HB 2.900 . 5.000 2.625 2.317 3.013 . 0 0 "[ . 1 . 2]" 1
795 1 17 CYS HA 1 49 VAL MG1 2.400 . 4.500 2.542 2.364 2.807 . 0 0 "[ . 1 . 2]" 1
796 1 17 CYS HB3 1 49 VAL MG1 2.900 . 5.500 3.751 3.672 3.844 . 0 0 "[ . 1 . 2]" 1
797 1 17 CYS HB2 1 49 VAL MG1 2.400 . 4.500 2.241 2.094 2.422 . 0 0 "[ . 1 . 2]" 1
798 1 18 PRO QD 1 49 VAL MG1 2.900 . 6.500 3.341 3.149 3.585 . 0 0 "[ . 1 . 2]" 1
799 1 32 LEU QD 1 49 VAL MG1 2.400 . 8.400 3.228 2.922 3.599 . 0 0 "[ . 1 . 2]" 1
800 1 41 ARG HA 1 49 VAL MG1 2.900 . 5.500 3.150 2.913 3.437 . 0 0 "[ . 1 . 2]" 1
801 1 42 CYS HA 1 49 VAL MG1 2.400 . 4.500 2.401 2.200 2.552 . 0 0 "[ . 1 . 2]" 1
802 1 42 CYS QB 1 49 VAL MG1 2.400 . 5.500 2.631 2.462 2.793 . 0 0 "[ . 1 . 2]" 1
803 1 32 LEU QD 1 49 VAL MG2 2.400 . 8.400 3.516 3.178 3.931 . 0 0 "[ . 1 . 2]" 1
804 1 41 ARG HA 1 49 VAL MG2 2.900 . 5.500 3.351 3.156 3.578 . 0 0 "[ . 1 . 2]" 1
805 1 18 PRO QD 1 49 VAL HB 3.400 . 6.000 4.217 3.977 4.530 . 0 0 "[ . 1 . 2]" 1
806 1 50 GLU H 1 50 GLU HA 2.400 . 3.000 2.987 2.951 3.003 0.003 9 0 "[ . 1 . 2]" 1
807 1 50 GLU H 1 50 GLU HB2 2.400 . 3.000 2.579 2.389 2.731 . 0 0 "[ . 1 . 2]" 1
808 1 50 GLU H 1 50 GLU QG 2.900 . 5.000 3.198 2.570 3.546 . 0 0 "[ . 1 . 2]" 1
809 1 50 GLU HA 1 50 GLU HB3 2.400 . 3.000 2.584 2.420 2.683 . 0 0 "[ . 1 . 2]" 1
810 1 50 GLU HA 1 50 GLU HB2 2.900 . 4.000 3.016 2.989 3.038 . 0 0 "[ . 1 . 2]" 1
811 1 15 PHE QB 1 50 GLU H 3.400 . 6.000 3.477 2.993 3.975 . 0 0 "[ . 1 . 2]" 1
812 1 16 LYS HA 1 50 GLU H 3.400 . 5.000 4.437 4.123 4.740 . 0 0 "[ . 1 . 2]" 1
813 1 16 LYS HB3 1 50 GLU H 3.400 . 5.000 3.921 3.757 4.189 . 0 0 "[ . 1 . 2]" 1
814 1 16 LYS QG 1 50 GLU H 3.400 . 6.000 4.365 4.063 4.847 . 0 0 "[ . 1 . 2]" 1
815 1 17 CYS HA 1 50 GLU H 3.400 . 5.000 3.523 3.086 3.823 . 0 0 "[ . 1 . 2]" 1
816 1 18 PRO QD 1 50 GLU H 3.400 . 6.000 3.359 2.973 3.808 . 0 0 "[ . 1 . 2]" 1
817 1 49 VAL HA 1 50 GLU H 2.400 . 3.000 2.471 2.337 2.671 . 0 0 "[ . 1 . 2]" 1
818 1 49 VAL HB 1 50 GLU H 2.900 . 4.000 2.554 2.153 2.887 . 0 0 "[ . 1 . 2]" 1
819 1 49 VAL MG1 1 50 GLU H 2.900 . 5.500 3.834 3.688 4.026 . 0 0 "[ . 1 . 2]" 1
820 1 49 VAL MG2 1 50 GLU H 2.900 . 5.500 3.436 3.036 3.752 . 0 0 "[ . 1 . 2]" 1
821 1 49 VAL MG2 1 50 GLU HA 3.400 . 6.500 3.757 3.584 3.924 . 0 0 "[ . 1 . 2]" 1
822 1 50 GLU HA 1 51 GLU HA 3.400 . 5.000 4.426 4.404 4.461 . 0 0 "[ . 1 . 2]" 1
823 1 18 PRO QD 1 50 GLU QG 3.400 . 7.000 3.426 2.818 4.302 . 0 0 "[ . 1 . 2]" 1
824 1 49 VAL HA 1 50 GLU QG 3.400 . 6.000 3.673 2.966 4.275 . 0 0 "[ . 1 . 2]" 1
825 1 50 GLU H 1 51 GLU H 3.400 . 5.000 4.417 4.268 4.513 . 0 0 "[ . 1 . 2]" 1
826 1 50 GLU HA 1 51 GLU H 2.400 . 3.000 2.313 2.230 2.404 . 0 0 "[ . 1 . 2]" 1
827 1 50 GLU HB3 1 51 GLU H 2.900 . 4.000 3.028 2.724 3.377 . 0 0 "[ . 1 . 2]" 1
828 1 50 GLU QG 1 51 GLU H 3.400 . 6.000 3.963 3.627 4.660 . 0 0 "[ . 1 . 2]" 1
829 1 51 GLU H 1 52 ASP H 3.400 . 5.000 4.609 4.486 4.660 . 0 0 "[ . 1 . 2]" 1
830 1 15 PHE HA 1 51 GLU HA 2.400 . 3.000 2.180 1.907 2.572 . 0 0 "[ . 1 . 2]" 1
831 1 13 ALA MB 1 51 GLU QG 3.400 . 7.500 4.453 2.675 6.184 . 0 0 "[ . 1 . 2]" 1
832 1 52 ASP H 1 52 ASP HA 2.400 . 3.000 2.957 2.928 2.993 . 0 0 "[ . 1 . 2]" 1
833 1 52 ASP H 1 52 ASP HB3 2.400 . 3.000 2.425 2.211 2.775 . 0 0 "[ . 1 . 2]" 1
834 1 52 ASP H 1 52 ASP HB2 2.400 . 3.000 2.614 2.431 2.849 . 0 0 "[ . 1 . 2]" 1
835 1 52 ASP HA 1 52 ASP HB3 2.900 . 4.000 3.030 2.998 3.038 . 0 0 "[ . 1 . 2]" 1
836 1 52 ASP HA 1 52 ASP HB2 2.400 . 3.000 2.495 2.387 2.662 . 0 0 "[ . 1 . 2]" 1
837 1 13 ALA MB 1 52 ASP H 3.400 . 6.500 5.906 4.077 7.060 0.560 1 1 "[+ . 1 . 2]" 1
838 1 15 PHE HA 1 52 ASP H 2.900 . 4.000 2.425 1.973 2.903 . 0 0 "[ . 1 . 2]" 1
839 1 15 PHE QB 1 52 ASP H 3.400 . 6.000 4.468 4.065 4.930 . 0 0 "[ . 1 . 2]" 1
840 1 16 LYS H 1 52 ASP H 3.400 . 5.000 3.735 3.079 4.133 . 0 0 "[ . 1 . 2]" 1
841 1 16 LYS HB3 1 52 ASP H 3.400 . 5.000 4.376 3.801 4.756 . 0 0 "[ . 1 . 2]" 1
842 1 16 LYS HB2 1 52 ASP H 3.400 . 5.000 4.683 4.201 4.995 . 0 0 "[ . 1 . 2]" 1
843 1 51 GLU HA 1 52 ASP H 2.400 . 3.000 2.223 2.209 2.246 . 0 0 "[ . 1 . 2]" 1
844 1 51 GLU QB 1 52 ASP H 2.900 . 5.000 3.384 3.177 3.807 . 0 0 "[ . 1 . 2]" 1
845 1 52 ASP H 1 55 ALA MB 3.400 . 6.500 5.011 4.105 6.286 . 0 0 "[ . 1 . 2]" 1
846 1 16 LYS HB3 1 52 ASP HA 3.400 . 5.000 3.350 2.869 3.752 . 0 0 "[ . 1 . 2]" 1
847 1 16 LYS HB2 1 52 ASP HA 3.400 . 5.000 4.001 3.296 4.527 . 0 0 "[ . 1 . 2]" 1
848 1 51 GLU HA 1 52 ASP HA 3.400 . 5.000 4.476 4.455 4.504 . 0 0 "[ . 1 . 2]" 1
849 1 16 LYS HB3 1 52 ASP HB2 3.400 . 5.000 2.691 1.974 3.271 . 0 0 "[ . 1 . 2]" 1
850 1 16 LYS HB2 1 52 ASP HB2 3.400 . 5.000 2.357 1.897 2.827 . 0 0 "[ . 1 . 2]" 1
851 1 16 LYS HB3 1 52 ASP HB3 3.400 . 5.000 4.387 3.704 4.921 . 0 0 "[ . 1 . 2]" 1
852 1 16 LYS HB2 1 52 ASP HB3 3.400 . 5.000 3.885 3.206 4.479 . 0 0 "[ . 1 . 2]" 1
853 1 53 GLU H 1 53 GLU HA 2.400 . 3.000 2.953 2.889 3.000 0.000 15 0 "[ . 1 . 2]" 1
854 1 53 GLU H 1 53 GLU HB3 3.400 . 5.000 3.114 2.406 3.575 . 0 0 "[ . 1 . 2]" 1
855 1 53 GLU H 1 53 GLU HB2 2.900 . 4.000 2.488 2.034 3.677 . 0 0 "[ . 1 . 2]" 1
856 1 53 GLU HA 1 53 GLU HB3 2.400 . 4.000 2.712 2.419 3.036 . 0 0 "[ . 1 . 2]" 1
857 1 53 GLU HA 1 53 GLU HB2 2.900 . 4.000 2.801 2.392 3.039 . 0 0 "[ . 1 . 2]" 1
858 1 52 ASP HA 1 53 GLU H 2.400 . 3.000 2.242 2.206 2.342 . 0 0 "[ . 1 . 2]" 1
859 1 52 ASP HB3 1 53 GLU H 3.400 . 5.000 4.391 4.169 4.516 . 0 0 "[ . 1 . 2]" 1
860 1 52 ASP HB2 1 53 GLU H 3.400 . 5.000 4.515 4.340 4.693 . 0 0 "[ . 1 . 2]" 1
861 1 53 GLU H 1 54 SER H 2.900 . 4.000 2.498 2.169 2.843 . 0 0 "[ . 1 . 2]" 1
862 1 52 ASP HA 1 54 SER H 3.400 2.300 5.000 3.397 3.184 3.509 . 0 0 "[ . 1 . 2]" 1
863 1 52 ASP HB3 1 54 SER H 3.400 . 5.000 4.193 3.475 4.855 . 0 0 "[ . 1 . 2]" 1
864 1 52 ASP HB2 1 54 SER H 3.400 . 5.000 4.694 4.335 5.001 0.001 16 0 "[ . 1 . 2]" 1
865 1 53 GLU HB3 1 54 SER H 3.400 . 5.000 3.961 3.188 4.370 . 0 0 "[ . 1 . 2]" 1
866 1 53 GLU HB2 1 54 SER H 3.400 . 5.000 3.867 3.009 4.514 . 0 0 "[ . 1 . 2]" 1
867 1 53 GLU QG 1 54 SER H 3.400 . 6.000 4.167 2.279 4.855 . 0 0 "[ . 1 . 2]" 1
868 1 54 SER H 1 55 ALA H 2.900 . 4.000 2.680 2.047 3.172 . 0 0 "[ . 1 . 2]" 1
869 1 54 SER H 1 55 ALA MB 3.400 . 6.500 3.737 3.258 4.086 . 0 0 "[ . 1 . 2]" 1
870 1 53 GLU QG 1 54 SER QB 3.400 . 7.000 5.151 2.810 6.175 . 0 0 "[ . 1 . 2]" 1
871 1 52 ASP HB3 1 55 ALA H 3.400 . 5.000 4.440 3.910 5.013 0.013 18 0 "[ . 1 . 2]" 1
872 1 54 SER QB 1 55 ALA H 3.400 . 6.000 3.392 1.870 4.050 . 0 0 "[ . 1 . 2]" 1
873 1 55 ALA H 1 56 MET HB2 3.400 . 5.000 4.456 3.482 4.971 . 0 0 "[ . 1 . 2]" 1
874 1 56 MET H 1 56 MET HB3 3.400 . 5.000 3.692 3.424 4.058 . 0 0 "[ . 1 . 2]" 1
875 1 56 MET H 1 56 MET HB2 2.900 . 4.000 2.597 2.054 3.435 . 0 0 "[ . 1 . 2]" 1
876 1 56 MET H 1 56 MET QG 3.400 . 6.000 3.185 2.411 3.987 . 0 0 "[ . 1 . 2]" 1
877 1 56 MET HA 1 56 MET HB3 2.400 . 3.000 2.626 2.408 2.767 . 0 0 "[ . 1 . 2]" 1
878 1 56 MET HA 1 56 MET HB2 2.900 . 4.000 3.000 2.928 3.038 . 0 0 "[ . 1 . 2]" 1
879 1 55 ALA HA 1 56 MET H 2.900 . 4.000 2.757 2.239 3.565 . 0 0 "[ . 1 . 2]" 1
880 1 55 ALA MB 1 56 MET H 2.900 . 5.500 3.374 1.854 3.736 . 0 0 "[ . 1 . 2]" 1
881 1 56 MET HA 1 57 PRO QD 2.400 . 4.000 2.167 1.910 3.465 . 0 0 "[ . 1 . 2]" 1
882 1 56 MET HB3 1 57 PRO QD 3.400 . 6.000 3.350 1.948 4.343 . 0 0 "[ . 1 . 2]" 1
883 1 56 MET HB2 1 57 PRO QD 3.400 . 6.000 3.962 1.788 4.385 0.012 6 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 24
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 61.912
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0424
_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 15 PHE 0.046 0.030 11 0 "[ . 1 . 2]"
1 16 LYS 0.033 0.022 19 0 "[ . 1 . 2]"
1 17 CYS 0.917 0.061 6 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.917 0.061 6 0 "[ . 1 . 2]"
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PHE 0.046 0.030 11 0 "[ . 1 . 2]"
1 32 LEU 0.018 0.011 1 0 "[ . 1 . 2]"
1 34 ASP 0.014 0.014 14 0 "[ . 1 . 2]"
1 39 THR 0.014 0.014 14 0 "[ . 1 . 2]"
1 41 ARG 0.018 0.011 1 0 "[ . 1 . 2]"
1 42 CYS 2.067 0.081 17 0 "[ . 1 . 2]"
1 44 PHE 2.058 0.081 17 0 "[ . 1 . 2]"
1 45 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.009 0.009 13 0 "[ . 1 . 2]"
1 50 GLU 0.033 0.022 19 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 17 CYS H 1 22 SER O 2.000 . 2.300 1.951 1.719 2.148 . 0 0 "[ . 1 . 2]" 2
2 1 17 CYS N 1 22 SER O 3.000 2.500 3.300 2.908 2.688 3.100 . 0 0 "[ . 1 . 2]" 2
3 1 15 PHE H 1 24 PHE O 2.000 . 2.300 1.799 1.557 2.302 0.002 20 0 "[ . 1 . 2]" 2
4 1 15 PHE N 1 24 PHE O 3.000 2.500 3.300 2.649 2.470 2.894 0.030 11 0 "[ . 1 . 2]" 2
5 1 15 PHE O 1 24 PHE H 2.000 . 2.300 1.729 1.594 2.078 . 0 0 "[ . 1 . 2]" 2
6 1 15 PHE O 1 24 PHE N 3.000 2.500 3.300 2.627 2.503 3.042 . 0 0 "[ . 1 . 2]" 2
7 1 42 CYS H 1 47 THR O 2.000 . 2.300 2.040 1.781 2.309 0.009 13 0 "[ . 1 . 2]" 2
8 1 42 CYS N 1 47 THR O 3.000 2.500 3.300 2.942 2.721 3.211 . 0 0 "[ . 1 . 2]" 2
9 1 34 ASP H 1 39 THR O 2.000 . 2.300 1.889 1.569 2.171 . 0 0 "[ . 1 . 2]" 2
10 1 34 ASP N 1 39 THR O 3.000 2.500 3.300 2.779 2.486 3.033 0.014 14 0 "[ . 1 . 2]" 2
11 1 16 LYS O 1 50 GLU H 2.000 . 2.300 1.808 1.567 2.187 . 0 0 "[ . 1 . 2]" 2
12 1 16 LYS O 1 50 GLU N 3.000 2.500 3.300 2.722 2.506 2.997 . 0 0 "[ . 1 . 2]" 2
13 1 16 LYS H 1 50 GLU O 2.000 . 2.300 1.684 1.531 1.921 . 0 0 "[ . 1 . 2]" 2
14 1 16 LYS N 1 50 GLU O 3.000 2.500 3.300 2.618 2.478 2.886 0.022 19 0 "[ . 1 . 2]" 2
15 1 32 LEU O 1 41 ARG H 2.000 . 2.300 1.759 1.555 2.148 . 0 0 "[ . 1 . 2]" 2
16 1 32 LEU O 1 41 ARG N 3.000 2.500 3.300 2.710 2.489 3.109 0.011 1 0 "[ . 1 . 2]" 2
17 1 17 CYS SG 1 19 VAL H 2.500 2.200 2.800 2.665 2.511 2.751 . 0 0 "[ . 1 . 2]" 2
18 1 17 CYS SG 1 19 VAL N 3.400 3.100 3.700 3.513 3.434 3.599 . 0 0 "[ . 1 . 2]" 2
19 1 17 CYS SG 1 20 CYS H 2.500 2.200 2.800 2.844 2.823 2.861 0.061 6 0 "[ . 1 . 2]" 2
20 1 17 CYS SG 1 20 CYS N 3.400 3.100 3.700 3.683 3.656 3.715 0.015 6 0 "[ . 1 . 2]" 2
21 1 42 CYS SG 1 44 PHE H 2.500 2.200 2.800 2.841 2.831 2.855 0.055 17 0 "[ . 1 . 2]" 2
22 1 42 CYS SG 1 44 PHE N 3.400 3.100 3.700 3.762 3.749 3.781 0.081 17 0 "[ . 1 . 2]" 2
23 1 42 CYS SG 1 45 CYS H 2.500 2.200 2.800 2.636 2.592 2.688 . 0 0 "[ . 1 . 2]" 2
24 1 42 CYS SG 1 45 CYS N 3.400 3.100 3.700 3.571 3.521 3.623 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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