NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403967 |
1wtu   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wtu
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 709
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 23.931
_Distance_constraint_stats_list.Viol_max 5.758
_Distance_constraint_stats_list.Viol_rms 0.3170
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0338
_Distance_constraint_stats_list.Viol_average_violations_only 0.4198
_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 4 THR 0.000 0.000 . 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.118 0.118 1 0 "[ ]"
1 7 ILE 0.208 0.134 1 0 "[ ]"
1 8 LYS 0.054 0.054 1 0 "[ ]"
1 9 ALA 0.045 0.025 1 0 "[ ]"
1 10 ILE 0.025 0.025 1 0 "[ ]"
1 11 ALA 5.064 4.680 1 1 [+]
1 12 GLN 0.000 0.000 . 0 "[ ]"
1 13 ASP 0.000 0.000 . 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 GLU 0.351 0.351 1 0 "[ ]"
1 16 LEU 0.267 0.267 1 0 "[ ]"
1 17 THR 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 SER 0.000 0.000 . 0 "[ ]"
1 21 VAL 0.162 0.162 1 0 "[ ]"
1 22 SER 0.485 0.351 1 0 "[ ]"
1 23 LYS 0.000 0.000 . 0 "[ ]"
1 24 MET 0.000 0.000 . 0 "[ ]"
1 25 LEU 4.680 4.680 1 1 [+]
1 26 ALA 0.000 0.000 . 0 "[ ]"
1 27 SER 0.384 0.355 1 0 "[ ]"
1 28 PHE 0.000 0.000 . 0 "[ ]"
1 29 GLU 0.000 0.000 . 0 "[ ]"
1 30 LYS 0.000 0.000 . 0 "[ ]"
1 31 ILE 0.021 0.021 1 0 "[ ]"
1 32 THR 6.183 5.758 1 1 [+]
1 33 THR 0.181 0.170 1 0 "[ ]"
1 34 GLU 0.032 0.021 1 0 "[ ]"
1 35 THR 0.775 0.424 1 0 "[ ]"
1 36 VAL 0.440 0.170 1 0 "[ ]"
1 37 ALA 0.089 0.089 1 0 "[ ]"
1 38 LYS 0.173 0.128 1 0 "[ ]"
1 39 GLY 0.142 0.142 1 0 "[ ]"
1 40 ASP 0.089 0.089 1 0 "[ ]"
1 41 LYS 0.014 0.014 1 0 "[ ]"
1 42 VAL 0.025 0.025 1 0 "[ ]"
1 43 GLN 0.082 0.082 1 0 "[ ]"
1 44 LEU 3.722 3.637 1 1 [+]
1 45 THR 0.000 0.000 . 0 "[ ]"
1 47 PHE 6.064 5.758 1 1 [+]
1 48 LEU 0.000 0.000 . 0 "[ ]"
1 49 ASN 0.025 0.025 1 0 "[ ]"
1 50 ILE 0.106 0.082 1 0 "[ ]"
1 51 LYS 0.124 0.109 1 0 "[ ]"
1 52 PRO 0.000 0.000 . 0 "[ ]"
1 53 VAL 0.126 0.126 1 0 "[ ]"
1 54 ALA 0.514 0.514 1 1 [+]
1 55 ARG 0.807 0.734 1 1 [+]
1 56 GLN 0.389 0.389 1 0 "[ ]"
1 57 ALA 0.000 0.000 . 0 "[ ]"
1 58 ARG 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 60 GLY 0.185 0.185 1 0 "[ ]"
1 61 PHE 1.625 0.694 1 1 [+]
1 62 ASN 0.143 0.143 1 0 "[ ]"
1 63 PRO 0.000 0.000 . 0 "[ ]"
1 64 GLN 1.201 0.694 1 1 [+]
1 65 THR 0.929 0.693 1 1 [+]
1 66 GLN 0.649 0.507 1 1 [+]
1 67 GLU 0.065 0.065 1 0 "[ ]"
1 68 ALA 0.290 0.290 1 0 "[ ]"
1 69 LEU 0.878 0.693 1 1 [+]
1 70 GLU 0.000 0.000 . 0 "[ ]"
1 71 ILE 0.255 0.255 1 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 73 PRO 0.000 0.000 . 0 "[ ]"
1 74 SER 1.638 0.734 1 1 [+]
1 75 VAL 0.073 0.073 1 0 "[ ]"
1 76 GLY 0.126 0.126 1 0 "[ ]"
1 77 VAL 0.000 0.000 . 0 "[ ]"
1 78 SER 0.109 0.109 1 0 "[ ]"
1 79 VAL 0.000 0.000 . 0 "[ ]"
1 80 LYS 0.025 0.025 1 0 "[ ]"
1 81 PRO 0.000 0.000 . 0 "[ ]"
1 82 GLY 0.000 0.000 . 0 "[ ]"
1 83 GLU 0.003 0.003 1 0 "[ ]"
1 84 SER 0.223 0.221 1 0 "[ ]"
1 85 LEU 0.050 0.045 1 0 "[ ]"
1 86 LYS 0.005 0.005 1 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 ALA 0.000 0.000 . 0 "[ ]"
1 90 GLU 0.081 0.081 1 0 "[ ]"
1 91 GLY 0.000 0.000 . 0 "[ ]"
1 92 LEU 0.293 0.213 1 0 "[ ]"
1 93 LYS 0.001 0.001 1 0 "[ ]"
1 94 TYR 0.469 0.209 1 0 "[ ]"
1 95 GLU 0.000 0.000 . 0 "[ ]"
1 96 ASP 0.053 0.053 1 0 "[ ]"
1 97 PHE 0.327 0.292 1 0 "[ ]"
1 98 ALA 0.209 0.209 1 0 "[ ]"
1 99 LYS 0.000 0.000 . 0 "[ ]"
2 10 ILE 0.355 0.355 1 0 "[ ]"
2 14 THR 0.000 0.000 . 0 "[ ]"
2 28 PHE 3.637 3.637 1 1 [+]
2 33 THR 0.000 0.000 . 0 "[ ]"
2 37 ALA 0.000 0.000 . 0 "[ ]"
2 38 LYS 0.213 0.213 1 0 "[ ]"
2 47 PHE 0.000 0.000 . 0 "[ ]"
2 54 ALA 0.000 0.000 . 0 "[ ]"
2 57 ALA 0.000 0.000 . 0 "[ ]"
2 71 ILE 0.000 0.000 . 0 "[ ]"
2 72 ALA 0.000 0.000 . 0 "[ ]"
2 75 VAL 0.170 0.170 1 0 "[ ]"
2 76 GLY 0.000 0.000 . 0 "[ ]"
2 80 LYS 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
2 89 ALA 0.000 0.000 . 0 "[ ]"
2 92 LEU 0.000 0.000 . 0 "[ ]"
2 94 TYR 0.000 0.000 . 0 "[ ]"
2 97 PHE 0.000 0.000 . 0 "[ ]"
2 98 ALA 0.000 0.000 . 0 "[ ]"
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 4 THR HA 1 4 THR MG 2.700 . 3.880 2.360 2.360 2.360 . 0 0 "[ ]" 1
2 1 4 THR H 1 4 THR HB 3.300 . 3.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
3 1 4 THR H 1 4 THR MG 3.300 . 4.770 3.754 3.754 3.754 . 0 0 "[ ]" 1
4 1 5 GLU HA 1 5 GLU QG 3.300 . 3.950 2.628 2.628 2.628 . 0 0 "[ ]" 1
5 1 4 THR HA 1 5 GLU H 3.600 . 3.600 3.546 3.546 3.546 . 0 0 "[ ]" 1
6 1 4 THR HB 1 5 GLU H 4.700 . 4.700 2.520 2.520 2.520 . 0 0 "[ ]" 1
7 1 4 THR MG 1 5 GLU H 3.300 . 4.770 3.567 3.567 3.567 . 0 0 "[ ]" 1
8 1 4 THR H 1 5 GLU H 3.300 . 3.300 2.826 2.826 2.826 . 0 0 "[ ]" 1
9 1 5 GLU H 1 5 GLU QB 3.300 . 3.920 2.203 2.203 2.203 . 0 0 "[ ]" 1
10 1 5 GLU H 1 5 GLU QG 3.300 . 4.170 3.987 3.987 3.987 . 0 0 "[ ]" 1
11 1 6 LEU HA 1 6 LEU QD 3.300 . 6.110 2.022 2.022 2.022 . 0 0 "[ ]" 1
12 1 6 LEU HA 1 6 LEU HG 3.300 . 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 1
13 1 6 LEU HA 1 11 ALA H 5.000 . 5.000 5.118 5.118 5.118 0.118 1 0 "[ ]" 1
14 1 4 THR H 1 6 LEU H 5.000 . 5.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
15 1 5 GLU HA 1 6 LEU H 3.600 . 3.600 3.582 3.582 3.582 . 0 0 "[ ]" 1
16 1 5 GLU QB 1 6 LEU H 3.300 . 4.160 1.987 1.987 1.987 . 0 0 "[ ]" 1
17 1 5 GLU QG 1 6 LEU H 5.000 . 5.880 3.043 3.043 3.043 . 0 0 "[ ]" 1
18 1 5 GLU H 1 6 LEU H 3.300 . 3.300 3.075 3.075 3.075 . 0 0 "[ ]" 1
19 1 6 LEU H 1 6 LEU QB 2.700 . 3.320 2.244 2.244 2.244 . 0 0 "[ ]" 1
20 1 6 LEU H 1 6 LEU QD 3.300 . 6.110 3.330 3.330 3.330 . 0 0 "[ ]" 1
21 1 6 LEU H 1 6 LEU HG 3.300 . 3.300 2.686 2.686 2.686 . 0 0 "[ ]" 1
22 1 6 LEU H 1 7 ILE H 3.300 . 3.300 3.081 3.081 3.081 . 0 0 "[ ]" 1
23 1 6 LEU H 1 8 LYS H 5.000 . 5.000 4.860 4.860 4.860 . 0 0 "[ ]" 1
24 1 7 ILE HA 1 7 ILE MD 3.300 . 4.830 3.636 3.636 3.636 . 0 0 "[ ]" 1
25 1 7 ILE HA 1 7 ILE QG 3.300 . 4.830 2.127 2.127 2.127 . 0 0 "[ ]" 1
26 1 7 ILE HA 1 7 ILE MG 2.700 . 3.890 3.145 3.145 3.145 . 0 0 "[ ]" 1
27 1 7 ILE HA 1 10 ILE MG 5.000 . 6.530 3.337 3.337 3.337 . 0 0 "[ ]" 1
28 1 7 ILE HA 1 21 VAL MG2 5.000 . 7.810 2.075 2.075 2.075 . 0 0 "[ ]" 1
29 1 7 ILE HB 1 7 ILE MD 2.700 . 4.180 2.302 2.302 2.302 . 0 0 "[ ]" 1
30 1 7 ILE HB 1 22 SER HA 5.000 . 5.000 5.134 5.134 5.134 0.134 1 0 "[ ]" 1
31 1 7 ILE MD 1 22 SER H 5.000 . 6.530 3.732 3.732 3.732 . 0 0 "[ ]" 1
32 1 7 ILE MG 1 22 SER H 5.000 . 6.510 5.610 5.610 5.610 . 0 0 "[ ]" 1
33 1 4 THR HA 1 7 ILE H 5.000 . 5.000 4.554 4.554 4.554 . 0 0 "[ ]" 1
34 1 5 GLU H 1 7 ILE H 5.000 . 5.000 4.815 4.815 4.815 . 0 0 "[ ]" 1
35 1 6 LEU HA 1 7 ILE H 3.600 . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 1
36 1 6 LEU QB 1 7 ILE H 3.300 . 4.160 2.274 2.274 2.274 . 0 0 "[ ]" 1
37 1 6 LEU QD 1 7 ILE H 3.300 . 6.110 3.839 3.839 3.839 . 0 0 "[ ]" 1
38 1 6 LEU HG 1 7 ILE H 5.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 1
39 1 7 ILE H 1 7 ILE HB 3.300 . 3.300 2.101 2.101 2.101 . 0 0 "[ ]" 1
40 1 7 ILE H 1 7 ILE MD 3.300 . 4.830 4.005 4.005 4.005 . 0 0 "[ ]" 1
41 1 7 ILE H 1 7 ILE QG 3.300 . 4.180 3.629 3.629 3.629 . 0 0 "[ ]" 1
42 1 7 ILE H 1 7 ILE MG 3.300 . 4.830 3.108 3.108 3.108 . 0 0 "[ ]" 1
43 1 7 ILE H 1 8 LYS H 3.300 . 3.300 3.354 3.354 3.354 0.054 1 0 "[ ]" 1
44 1 7 ILE H 1 9 ALA H 5.000 . 5.000 5.020 5.020 5.020 0.020 1 0 "[ ]" 1
45 1 8 LYS HA 1 12 GLN QG 5.000 . 5.880 4.539 4.539 4.539 . 0 0 "[ ]" 1
46 1 7 ILE HA 1 8 LYS H 3.600 . 3.600 3.595 3.595 3.595 . 0 0 "[ ]" 1
47 1 7 ILE HB 1 8 LYS H 4.700 . 4.700 3.510 3.510 3.510 . 0 0 "[ ]" 1
48 1 7 ILE QG 1 8 LYS H 5.000 . 6.530 4.051 4.051 4.051 . 0 0 "[ ]" 1
49 1 7 ILE MG 1 8 LYS H 3.300 . 4.830 1.915 1.915 1.915 . 0 0 "[ ]" 1
50 1 8 LYS H 1 8 LYS QB 3.300 . 3.920 2.246 2.246 2.246 . 0 0 "[ ]" 1
51 1 8 LYS H 1 8 LYS QD 5.000 . 5.880 4.481 4.481 4.481 . 0 0 "[ ]" 1
52 1 6 LEU MD2 1 9 ALA HA 5.000 . 7.810 6.407 6.407 6.407 . 0 0 "[ ]" 1
53 1 9 ALA HA 1 10 ILE MG 5.000 . 6.530 5.085 5.085 5.085 . 0 0 "[ ]" 1
54 1 6 LEU HA 1 9 ALA H 5.000 . 5.000 4.396 4.396 4.396 . 0 0 "[ ]" 1
55 1 8 LYS QB 1 9 ALA H 3.300 . 4.160 1.988 1.988 1.988 . 0 0 "[ ]" 1
56 1 8 LYS QD 1 9 ALA H 3.300 . 4.180 3.722 3.722 3.722 . 0 0 "[ ]" 1
57 1 8 LYS H 1 9 ALA H 3.300 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 1
58 1 9 ALA H 1 9 ALA MB 2.700 . 3.890 2.234 2.234 2.234 . 0 0 "[ ]" 1
59 1 10 ILE HA 1 10 ILE MD 2.700 . 4.230 2.000 2.000 2.000 . 0 0 "[ ]" 1
60 1 10 ILE HA 1 10 ILE QG 3.300 . 3.950 2.784 2.784 2.784 . 0 0 "[ ]" 1
61 1 10 ILE HA 1 10 ILE MG 3.300 . 4.490 3.200 3.200 3.200 . 0 0 "[ ]" 1
62 1 10 ILE HB 1 10 ILE MD 2.700 . 4.180 2.201 2.201 2.201 . 0 0 "[ ]" 1
63 1 8 LYS H 1 10 ILE H 5.000 . 5.000 4.897 4.897 4.897 . 0 0 "[ ]" 1
64 1 9 ALA HA 1 10 ILE H 3.600 . 3.600 3.573 3.573 3.573 . 0 0 "[ ]" 1
65 1 9 ALA MB 1 10 ILE H 3.300 . 4.770 1.967 1.967 1.967 . 0 0 "[ ]" 1
66 1 9 ALA H 1 10 ILE H 3.300 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
67 1 10 ILE H 1 10 ILE HB 3.300 . 3.300 2.578 2.578 2.578 . 0 0 "[ ]" 1
68 1 10 ILE H 1 10 ILE MD 3.300 . 4.830 4.034 4.034 4.034 . 0 0 "[ ]" 1
69 1 10 ILE H 1 10 ILE MG 3.300 . 4.780 2.207 2.207 2.207 . 0 0 "[ ]" 1
70 1 10 ILE H 1 11 ALA H 3.300 . 3.300 2.742 2.742 2.742 . 0 0 "[ ]" 1
71 1 10 ILE H 1 12 GLN H 5.000 . 5.000 4.291 4.291 4.291 . 0 0 "[ ]" 1
72 1 10 ILE H 1 25 LEU QD 5.000 . 7.810 7.184 7.184 7.184 . 0 0 "[ ]" 1
73 1 11 ALA HA 1 16 LEU H 3.300 . 3.300 3.567 3.567 3.567 0.267 1 0 "[ ]" 1
74 1 11 ALA HA 1 21 VAL H 5.000 . 5.000 4.881 4.881 4.881 . 0 0 "[ ]" 1
75 1 11 ALA MB 1 15 GLU QB 3.300 . 5.710 2.148 2.148 2.148 . 0 0 "[ ]" 1
76 1 11 ALA MB 1 15 GLU QG 3.300 . 5.710 3.632 3.632 3.632 . 0 0 "[ ]" 1
77 1 11 ALA MB 1 16 LEU H 3.300 . 4.830 4.015 4.015 4.015 . 0 0 "[ ]" 1
78 1 11 ALA MB 1 17 THR H 3.300 . 4.830 3.831 3.831 3.831 . 0 0 "[ ]" 1
79 1 11 ALA MB 1 21 VAL H 3.300 . 4.830 3.840 3.840 3.840 . 0 0 "[ ]" 1
80 1 8 LYS HA 1 11 ALA H 5.000 . 5.000 3.966 3.966 3.966 . 0 0 "[ ]" 1
81 1 9 ALA H 1 11 ALA H 5.000 . 5.000 4.184 4.184 4.184 . 0 0 "[ ]" 1
82 1 10 ILE HA 1 11 ALA H 3.600 . 3.600 3.519 3.519 3.519 . 0 0 "[ ]" 1
83 1 10 ILE HB 1 11 ALA H 4.700 . 4.700 4.228 4.228 4.228 . 0 0 "[ ]" 1
84 1 10 ILE MD 1 11 ALA H 5.000 . 6.530 4.725 4.725 4.725 . 0 0 "[ ]" 1
85 1 10 ILE QG 1 11 ALA H 5.000 . 5.880 3.923 3.923 3.923 . 0 0 "[ ]" 1
86 1 11 ALA H 1 11 ALA MB 2.700 . 3.890 2.319 2.319 2.319 . 0 0 "[ ]" 1
87 1 11 ALA H 1 12 GLN H 3.300 . 3.300 2.669 2.669 2.669 . 0 0 "[ ]" 1
88 1 11 ALA H 1 13 ASP H 5.000 . 5.000 4.752 4.752 4.752 . 0 0 "[ ]" 1
89 1 11 ALA MB 1 12 GLN HA 3.300 . 4.830 3.956 3.956 3.956 . 0 0 "[ ]" 1
90 1 12 GLN HA 1 12 GLN QG 3.300 . 3.950 2.160 2.160 2.160 . 0 0 "[ ]" 1
91 1 12 GLN HA 1 13 ASP QB 5.000 . 5.880 5.174 5.174 5.174 . 0 0 "[ ]" 1
92 1 9 ALA HA 1 12 GLN H 5.000 . 5.000 4.005 4.005 4.005 . 0 0 "[ ]" 1
93 1 9 ALA MB 1 12 GLN H 5.000 . 6.530 4.724 4.724 4.724 . 0 0 "[ ]" 1
94 1 11 ALA HA 1 12 GLN H 3.600 . 3.600 3.461 3.461 3.461 . 0 0 "[ ]" 1
95 1 11 ALA MB 1 12 GLN H 2.700 . 4.230 2.915 2.915 2.915 . 0 0 "[ ]" 1
96 1 12 GLN H 1 12 GLN QB 3.300 . 3.920 2.467 2.467 2.467 . 0 0 "[ ]" 1
97 1 12 GLN H 1 12 GLN QG 3.300 . 4.170 2.243 2.243 2.243 . 0 0 "[ ]" 1
98 1 12 GLN H 1 13 ASP H 3.300 . 3.300 3.037 3.037 3.037 . 0 0 "[ ]" 1
99 1 10 ILE MD 1 13 ASP QB 3.300 . 5.710 4.016 4.016 4.016 . 0 0 "[ ]" 1
100 1 10 ILE QG 1 13 ASP QB 5.000 . 7.410 4.767 4.767 4.767 . 0 0 "[ ]" 1
101 1 10 ILE MD 1 13 ASP H 5.000 . 6.530 4.355 4.355 4.355 . 0 0 "[ ]" 1
102 1 10 ILE QG 1 13 ASP H 5.000 . 5.880 4.494 4.494 4.494 . 0 0 "[ ]" 1
103 1 12 GLN HA 1 13 ASP H 3.600 . 3.600 3.560 3.560 3.560 . 0 0 "[ ]" 1
104 1 12 GLN QB 1 13 ASP H 3.300 . 4.160 2.660 2.660 2.660 . 0 0 "[ ]" 1
105 1 12 GLN QG 1 13 ASP H 5.000 . 5.880 4.189 4.189 4.189 . 0 0 "[ ]" 1
106 1 13 ASP H 1 13 ASP QB 2.700 . 3.320 2.338 2.338 2.338 . 0 0 "[ ]" 1
107 1 14 THR HA 1 14 THR MG 2.700 . 3.880 2.186 2.186 2.186 . 0 0 "[ ]" 1
108 1 14 THR MG 1 20 SER HA 5.000 . 6.530 5.596 5.596 5.596 . 0 0 "[ ]" 1
109 1 14 THR MG 1 20 SER QB 5.000 . 7.620 3.875 3.875 3.875 . 0 0 "[ ]" 1
110 1 11 ALA HA 1 14 THR H 5.000 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
111 1 14 THR H 1 14 THR HB 3.300 . 3.300 2.591 2.591 2.591 . 0 0 "[ ]" 1
112 1 14 THR H 1 14 THR MG 3.300 . 4.830 3.764 3.764 3.764 . 0 0 "[ ]" 1
113 1 11 ALA MB 1 15 GLU HA 3.300 . 4.830 4.030 4.030 4.030 . 0 0 "[ ]" 1
114 1 15 GLU HA 1 15 GLU QG 3.300 . 3.950 3.215 3.215 3.215 . 0 0 "[ ]" 1
115 1 15 GLU HA 1 21 VAL MG1 5.000 . 6.530 3.770 3.770 3.770 . 0 0 "[ ]" 1
116 1 15 GLU HA 1 21 VAL MG2 3.300 . 4.830 3.136 3.136 3.136 . 0 0 "[ ]" 1
117 1 15 GLU HA 1 21 VAL H 3.300 . 3.300 2.730 2.730 2.730 . 0 0 "[ ]" 1
118 1 14 THR HA 1 15 GLU H 3.600 . 3.600 2.734 2.734 2.734 . 0 0 "[ ]" 1
119 1 14 THR HB 1 15 GLU H 4.700 . 4.700 3.058 3.058 3.058 . 0 0 "[ ]" 1
120 1 14 THR HG1 1 15 GLU H 5.000 . 6.530 4.724 4.724 4.724 . 0 0 "[ ]" 1
121 1 15 GLU H 1 15 GLU QB 3.300 . 3.920 3.370 3.370 3.370 . 0 0 "[ ]" 1
122 1 16 LEU HA 1 16 LEU MD1 3.300 . 4.830 3.769 3.769 3.769 . 0 0 "[ ]" 1
123 1 16 LEU HA 1 16 LEU MD2 3.300 . 4.830 2.127 2.127 2.127 . 0 0 "[ ]" 1
124 1 16 LEU HA 1 16 LEU HG 3.300 . 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 1
125 1 16 LEU H 1 16 LEU QB 3.300 . 3.920 2.640 2.640 2.640 . 0 0 "[ ]" 1
126 1 16 LEU H 1 16 LEU MD1 3.300 . 4.830 3.528 3.528 3.528 . 0 0 "[ ]" 1
127 1 16 LEU H 1 16 LEU MD2 2.700 . 4.230 3.306 3.306 3.306 . 0 0 "[ ]" 1
128 1 16 LEU H 1 16 LEU HG 3.300 . 3.300 2.090 2.090 2.090 . 0 0 "[ ]" 1
129 1 19 VAL HA 1 19 VAL QG 2.700 . 5.510 2.100 2.100 2.100 . 0 0 "[ ]" 1
130 1 19 VAL HA 1 20 SER H 3.600 . 3.600 3.535 3.535 3.535 . 0 0 "[ ]" 1
131 1 19 VAL HB 1 20 SER H 4.700 . 4.700 2.119 2.119 2.119 . 0 0 "[ ]" 1
132 1 19 VAL QG 1 20 SER H 2.700 . 5.530 2.950 2.950 2.950 . 0 0 "[ ]" 1
133 1 21 VAL HA 1 21 VAL QG 2.700 . 5.510 1.915 1.915 1.915 . 0 0 "[ ]" 1
134 1 20 SER H 1 21 VAL H 3.300 . 3.300 3.294 3.294 3.294 . 0 0 "[ ]" 1
135 1 21 VAL H 1 21 VAL HB 3.300 . 3.300 3.462 3.462 3.462 0.162 1 0 "[ ]" 1
136 1 21 VAL H 1 21 VAL MG1 3.300 . 4.830 3.501 3.501 3.501 . 0 0 "[ ]" 1
137 1 21 VAL H 1 21 VAL MG2 2.700 . 4.230 1.884 1.884 1.884 . 0 0 "[ ]" 1
138 1 7 ILE QG 1 22 SER H 3.300 . 4.180 3.078 3.078 3.078 . 0 0 "[ ]" 1
139 1 15 GLU HA 1 22 SER H 5.000 . 5.000 5.351 5.351 5.351 0.351 1 0 "[ ]" 1
140 1 15 GLU QB 1 22 SER H 5.000 . 5.880 4.329 4.329 4.329 . 0 0 "[ ]" 1
141 1 20 SER H 1 22 SER H 5.000 . 5.000 4.486 4.486 4.486 . 0 0 "[ ]" 1
142 1 21 VAL HA 1 22 SER H 3.600 . 3.600 3.480 3.480 3.480 . 0 0 "[ ]" 1
143 1 21 VAL HB 1 22 SER H 4.700 . 4.700 2.730 2.730 2.730 . 0 0 "[ ]" 1
144 1 21 VAL QG 1 22 SER H 5.000 . 7.810 2.532 2.532 2.532 . 0 0 "[ ]" 1
145 1 21 VAL H 1 22 SER H 3.300 . 3.300 2.785 2.785 2.785 . 0 0 "[ ]" 1
146 1 22 SER H 1 22 SER QB 2.700 . 3.320 2.340 2.340 2.340 . 0 0 "[ ]" 1
147 1 22 SER H 1 23 LYS H 3.300 . 3.300 2.983 2.983 2.983 . 0 0 "[ ]" 1
148 1 22 SER H 1 24 MET H 5.000 . 5.000 4.139 4.139 4.139 . 0 0 "[ ]" 1
149 1 23 LYS HA 1 23 LYS QD 3.300 . 4.150 3.899 3.899 3.899 . 0 0 "[ ]" 1
150 1 23 LYS HA 1 23 LYS QG 3.300 . 3.950 2.253 2.253 2.253 . 0 0 "[ ]" 1
151 1 23 LYS H 1 23 LYS QB 3.300 . 3.920 2.132 2.132 2.132 . 0 0 "[ ]" 1
152 1 23 LYS H 1 23 LYS QD 3.300 . 4.180 3.788 3.788 3.788 . 0 0 "[ ]" 1
153 1 23 LYS H 1 23 LYS QG 3.300 . 4.170 2.756 2.756 2.756 . 0 0 "[ ]" 1
154 1 23 LYS H 2 14 THR HG1 5.000 . 6.590 3.275 3.275 3.275 . 0 0 "[ ]" 1
155 1 21 VAL HA 1 24 MET H 5.000 . 5.000 3.111 3.111 3.111 . 0 0 "[ ]" 1
156 1 23 LYS HA 1 24 MET H 3.600 . 3.600 3.536 3.536 3.536 . 0 0 "[ ]" 1
157 1 23 LYS QD 1 24 MET H 5.000 . 5.880 4.482 4.482 4.482 . 0 0 "[ ]" 1
158 1 23 LYS QE 1 24 MET H 6.000 3.000 6.880 5.985 5.985 5.985 . 0 0 "[ ]" 1
159 1 23 LYS QG 1 24 MET H 5.000 . 5.880 4.229 4.229 4.229 . 0 0 "[ ]" 1
160 1 23 LYS H 1 24 MET H 3.300 . 3.300 2.603 2.603 2.603 . 0 0 "[ ]" 1
161 1 24 MET H 1 24 MET QB 3.300 . 3.920 2.255 2.255 2.255 . 0 0 "[ ]" 1
162 1 24 MET H 1 26 ALA H 5.000 . 5.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
163 1 25 LEU HA 1 25 LEU QD 2.700 . 5.510 2.535 2.535 2.535 . 0 0 "[ ]" 1
164 1 11 ALA HA 1 25 LEU H 5.000 . 5.000 9.680 9.680 9.680 4.680 1 1 [+] 1
165 1 22 SER HA 1 25 LEU H 5.000 . 5.000 3.443 3.443 3.443 . 0 0 "[ ]" 1
166 1 22 SER QB 1 25 LEU H 5.000 . 5.880 4.978 4.978 4.978 . 0 0 "[ ]" 1
167 1 24 MET HA 1 25 LEU H 3.600 . 3.600 3.478 3.478 3.478 . 0 0 "[ ]" 1
168 1 24 MET QB 1 25 LEU H 5.000 . 5.880 2.961 2.961 2.961 . 0 0 "[ ]" 1
169 1 24 MET H 1 25 LEU H 3.300 . 3.300 2.783 2.783 2.783 . 0 0 "[ ]" 1
170 1 25 LEU H 1 25 LEU QB 2.700 . 3.320 2.297 2.297 2.297 . 0 0 "[ ]" 1
171 1 25 LEU H 1 25 LEU QD 3.300 . 6.110 3.750 3.750 3.750 . 0 0 "[ ]" 1
172 1 25 LEU H 1 25 LEU HG 5.000 . 5.000 4.408 4.408 4.408 . 0 0 "[ ]" 1
173 1 25 LEU H 1 26 ALA H 3.300 . 3.300 2.580 2.580 2.580 . 0 0 "[ ]" 1
174 1 25 LEU H 1 27 SER H 5.000 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
175 1 25 LEU MD1 1 26 ALA HA 5.000 . 6.530 5.309 5.309 5.309 . 0 0 "[ ]" 1
176 1 25 LEU MD2 1 26 ALA HA 3.300 . 4.830 3.873 3.873 3.873 . 0 0 "[ ]" 1
177 1 23 LYS HA 1 26 ALA H 5.000 . 5.000 4.177 4.177 4.177 . 0 0 "[ ]" 1
178 1 25 LEU QB 1 26 ALA H 3.300 . 4.180 2.007 2.007 2.007 . 0 0 "[ ]" 1
179 1 25 LEU QD 1 26 ALA H 3.300 . 6.110 3.086 3.086 3.086 . 0 0 "[ ]" 1
180 1 26 ALA H 1 26 ALA MB 2.700 . 3.890 2.172 2.172 2.172 . 0 0 "[ ]" 1
181 1 26 ALA H 1 27 SER H 3.300 . 3.300 2.695 2.695 2.695 . 0 0 "[ ]" 1
182 1 27 SER H 2 10 ILE MG 6.000 3.000 7.530 7.885 7.885 7.885 0.355 1 0 "[ ]" 1
183 1 26 ALA HA 1 27 SER H 3.600 . 3.600 3.485 3.485 3.485 . 0 0 "[ ]" 1
184 1 26 ALA MB 1 27 SER H 3.300 . 4.830 2.917 2.917 2.917 . 0 0 "[ ]" 1
185 1 27 SER H 1 27 SER HB3 3.300 . 3.300 2.500 2.500 2.500 . 0 0 "[ ]" 1
186 1 27 SER H 1 27 SER HB2 2.700 . 2.700 2.729 2.729 2.729 0.029 1 0 "[ ]" 1
187 1 28 PHE QB 2 10 ILE MG 5.000 . 7.410 6.649 6.649 6.649 . 0 0 "[ ]" 1
188 1 28 PHE QD 2 10 ILE MD 5.000 . 6.530 3.492 3.492 3.492 . 0 0 "[ ]" 1
189 1 28 PHE QD 2 47 PHE HZ 5.000 . 6.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
190 1 28 PHE HA 1 28 PHE QD 3.300 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 1
191 1 28 PHE QD 1 32 THR HA 6.000 3.000 6.000 5.713 5.713 5.713 . 0 0 "[ ]" 1
192 1 28 PHE QE 2 10 ILE MD 5.000 . 6.510 5.122 5.122 5.122 . 0 0 "[ ]" 1
193 1 28 PHE QE 2 47 PHE HZ 5.000 . 6.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
194 1 28 PHE HA 1 28 PHE QE 5.000 . 5.000 4.403 4.403 4.403 . 0 0 "[ ]" 1
195 1 28 PHE QE 1 32 THR HA 6.000 3.000 6.000 4.938 4.938 4.938 . 0 0 "[ ]" 1
196 1 28 PHE H 2 10 ILE QG 5.000 . 5.880 5.715 5.715 5.715 . 0 0 "[ ]" 1
197 1 25 LEU HA 1 28 PHE H 5.000 . 5.000 3.316 3.316 3.316 . 0 0 "[ ]" 1
198 1 26 ALA H 1 28 PHE H 5.000 . 5.000 4.312 4.312 4.312 . 0 0 "[ ]" 1
199 1 27 SER HA 1 28 PHE H 3.600 . 3.600 3.567 3.567 3.567 . 0 0 "[ ]" 1
200 1 27 SER QB 1 28 PHE H 5.000 . 5.860 2.811 2.811 2.811 . 0 0 "[ ]" 1
201 1 27 SER H 1 28 PHE H 3.300 . 3.300 2.437 2.437 2.437 . 0 0 "[ ]" 1
202 1 28 PHE H 1 28 PHE QB 3.300 . 3.920 2.382 2.382 2.382 . 0 0 "[ ]" 1
203 1 28 PHE H 1 28 PHE QD 5.000 . 5.000 4.235 4.235 4.235 . 0 0 "[ ]" 1
204 1 28 PHE H 1 29 GLU H 3.300 . 3.300 2.571 2.571 2.571 . 0 0 "[ ]" 1
205 1 28 PHE H 1 30 LYS H 5.000 . 5.000 4.013 4.013 4.013 . 0 0 "[ ]" 1
206 1 26 ALA HA 1 29 GLU H 5.000 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
207 1 28 PHE HA 1 29 GLU H 3.600 . 3.600 3.485 3.485 3.485 . 0 0 "[ ]" 1
208 1 28 PHE QB 1 29 GLU H 5.000 . 5.880 2.983 2.983 2.983 . 0 0 "[ ]" 1
209 1 29 GLU H 1 29 GLU QG 3.300 . 4.170 3.672 3.672 3.672 . 0 0 "[ ]" 1
210 1 29 GLU QB 1 30 LYS H 5.000 . 5.860 2.525 2.525 2.525 . 0 0 "[ ]" 1
211 1 29 GLU QG 1 30 LYS H 5.000 . 5.880 4.397 4.397 4.397 . 0 0 "[ ]" 1
212 1 29 GLU H 1 30 LYS H 3.300 . 3.300 2.488 2.488 2.488 . 0 0 "[ ]" 1
213 1 30 LYS H 1 30 LYS QB 3.300 . 3.920 2.502 2.502 2.502 . 0 0 "[ ]" 1
214 1 30 LYS H 1 30 LYS QD 5.000 . 5.880 3.460 3.460 3.460 . 0 0 "[ ]" 1
215 1 31 ILE HA 1 31 ILE MD 2.700 . 4.230 3.455 3.455 3.455 . 0 0 "[ ]" 1
216 1 31 ILE HA 1 31 ILE QG 3.300 . 3.950 2.001 2.001 2.001 . 0 0 "[ ]" 1
217 1 31 ILE HA 1 31 ILE MG 2.700 . 3.890 3.239 3.239 3.239 . 0 0 "[ ]" 1
218 1 31 ILE HB 1 31 ILE MD 2.700 . 2.700 2.134 2.134 2.134 . 0 0 "[ ]" 1
219 1 28 PHE HA 1 31 ILE H 5.000 . 5.000 2.756 2.756 2.756 . 0 0 "[ ]" 1
220 1 29 GLU H 1 31 ILE H 5.000 . 5.000 3.689 3.689 3.689 . 0 0 "[ ]" 1
221 1 30 LYS HA 1 31 ILE H 3.600 . 3.600 3.374 3.374 3.374 . 0 0 "[ ]" 1
222 1 30 LYS QG 1 31 ILE H 5.000 . 5.880 4.251 4.251 4.251 . 0 0 "[ ]" 1
223 1 30 LYS H 1 31 ILE H 3.300 . 3.300 2.678 2.678 2.678 . 0 0 "[ ]" 1
224 1 31 ILE H 1 31 ILE MD 5.000 . 6.530 4.323 4.323 4.323 . 0 0 "[ ]" 1
225 1 31 ILE H 1 32 THR H 3.300 . 3.300 2.305 2.305 2.305 . 0 0 "[ ]" 1
226 1 32 THR HA 1 32 THR MG 2.700 . 3.880 2.333 2.333 2.333 . 0 0 "[ ]" 1
227 1 31 ILE HA 1 32 THR H 3.600 . 3.600 3.531 3.531 3.531 . 0 0 "[ ]" 1
228 1 31 ILE HB 1 32 THR H 5.000 . 5.000 3.601 3.601 3.601 . 0 0 "[ ]" 1
229 1 31 ILE QG 1 32 THR H 5.000 . 5.870 4.057 4.057 4.057 . 0 0 "[ ]" 1
230 1 32 THR H 1 32 THR HG1 2.700 . 3.880 3.571 3.571 3.571 . 0 0 "[ ]" 1
231 1 32 THR H 1 33 THR H 3.300 . 3.300 2.725 2.725 2.725 . 0 0 "[ ]" 1
232 1 32 THR MG 1 33 THR HA 5.000 . 6.530 5.346 5.346 5.346 . 0 0 "[ ]" 1
233 1 33 THR HA 1 33 THR MG 2.700 . 3.880 2.343 2.343 2.343 . 0 0 "[ ]" 1
234 1 33 THR HA 1 34 GLU QB 5.000 . 5.880 5.180 5.180 5.180 . 0 0 "[ ]" 1
235 1 33 THR HA 2 88 ALA MB 5.000 . 6.530 2.129 2.129 2.129 . 0 0 "[ ]" 1
236 1 32 THR MG 1 33 THR HB 5.000 . 6.530 6.060 6.060 6.060 . 0 0 "[ ]" 1
237 1 33 THR H 1 33 THR HB 3.300 . 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 1
238 1 33 THR H 1 33 THR MG 2.700 . 4.170 3.718 3.718 3.718 . 0 0 "[ ]" 1
239 1 33 THR MG 1 34 GLU HA 3.300 . 4.830 3.587 3.587 3.587 . 0 0 "[ ]" 1
240 1 34 GLU HA 1 34 GLU QG 3.300 . 3.950 2.222 2.222 2.222 . 0 0 "[ ]" 1
241 1 31 ILE HA 1 34 GLU H 5.000 . 5.000 5.021 5.021 5.021 0.021 1 0 "[ ]" 1
242 1 33 THR HA 1 34 GLU H 3.600 . 3.600 3.560 3.560 3.560 . 0 0 "[ ]" 1
243 1 33 THR HB 1 34 GLU H 5.000 . 5.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
244 1 33 THR MG 1 34 GLU H 5.000 . 6.530 3.217 3.217 3.217 . 0 0 "[ ]" 1
245 1 33 THR H 1 34 GLU H 3.300 . 3.300 3.311 3.311 3.311 0.011 1 0 "[ ]" 1
246 1 34 GLU H 1 34 GLU QB 3.300 . 3.920 2.061 2.061 2.061 . 0 0 "[ ]" 1
247 1 34 GLU H 1 34 GLU QG 3.300 . 4.170 3.950 3.950 3.950 . 0 0 "[ ]" 1
248 1 34 GLU H 1 35 THR H 3.300 . 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 1
249 1 32 THR HB 1 35 THR HA 6.000 3.000 6.000 6.424 6.424 6.424 0.424 1 0 "[ ]" 1
250 1 35 THR HA 1 35 THR MG 2.700 . 3.880 2.307 2.307 2.307 . 0 0 "[ ]" 1
251 1 35 THR HB 1 41 LYS QD 5.000 . 6.090 5.528 5.528 5.528 . 0 0 "[ ]" 1
252 1 35 THR HB 1 41 LYS QG 5.000 . 6.090 5.145 5.145 5.145 . 0 0 "[ ]" 1
253 1 35 THR HG1 1 40 ASP QB 5.000 . 7.410 5.039 5.039 5.039 . 0 0 "[ ]" 1
254 1 34 GLU QB 1 35 THR H 3.300 . 4.160 1.992 1.992 1.992 . 0 0 "[ ]" 1
255 1 34 GLU QG 1 35 THR H 3.300 . 4.180 3.694 3.694 3.694 . 0 0 "[ ]" 1
256 1 35 THR H 1 35 THR HB 3.300 . 3.300 3.606 3.606 3.606 0.306 1 0 "[ ]" 1
257 1 35 THR H 1 35 THR MG 3.300 . 4.770 2.060 2.060 2.060 . 0 0 "[ ]" 1
258 1 36 VAL HA 1 36 VAL QG 2.700 . 5.510 2.064 2.064 2.064 . 0 0 "[ ]" 1
259 1 36 VAL QG 1 50 ILE HA 5.000 . 7.810 4.989 4.989 4.989 . 0 0 "[ ]" 1
260 1 33 THR HA 1 36 VAL H 5.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 1
261 1 33 THR HB 1 36 VAL H 6.000 3.000 6.000 6.170 6.170 6.170 0.170 1 0 "[ ]" 1
262 1 36 VAL H 1 36 VAL MG2 3.300 . 4.770 1.906 1.906 1.906 . 0 0 "[ ]" 1
263 1 36 VAL H 1 38 LYS H 5.000 . 5.000 5.128 5.128 5.128 0.128 1 0 "[ ]" 1
264 1 37 ALA HA 2 89 ALA MB 5.000 . 6.530 3.828 3.828 3.828 . 0 0 "[ ]" 1
265 1 37 ALA HA 2 92 LEU QD 5.000 . 7.810 3.932 3.932 3.932 . 0 0 "[ ]" 1
266 1 34 GLU HA 1 37 ALA H 5.000 . 5.000 4.870 4.870 4.870 . 0 0 "[ ]" 1
267 1 36 VAL HA 1 37 ALA H 3.600 . 3.600 3.539 3.539 3.539 . 0 0 "[ ]" 1
268 1 36 VAL HB 1 37 ALA H 5.000 . 5.000 2.532 2.532 2.532 . 0 0 "[ ]" 1
269 1 36 VAL QG 1 37 ALA H 5.000 . 7.810 3.106 3.106 3.106 . 0 0 "[ ]" 1
270 1 36 VAL H 1 37 ALA H 3.300 . 3.300 3.163 3.163 3.163 . 0 0 "[ ]" 1
271 1 37 ALA H 1 37 ALA MB 2.700 . 3.890 2.204 2.204 2.204 . 0 0 "[ ]" 1
272 1 37 ALA H 1 38 LYS H 3.300 . 3.300 3.233 3.233 3.233 . 0 0 "[ ]" 1
273 1 38 LYS HA 1 38 LYS QD 3.300 . 4.150 3.802 3.802 3.802 . 0 0 "[ ]" 1
274 1 35 THR HB 1 38 LYS H 6.000 3.000 6.000 6.045 6.045 6.045 0.045 1 0 "[ ]" 1
275 1 37 ALA HA 1 38 LYS H 3.600 . 3.600 3.517 3.517 3.517 . 0 0 "[ ]" 1
276 1 37 ALA MB 1 38 LYS H 3.300 . 4.830 1.941 1.941 1.941 . 0 0 "[ ]" 1
277 1 38 LYS H 1 38 LYS QB 3.300 . 3.920 2.353 2.353 2.353 . 0 0 "[ ]" 1
278 1 38 LYS H 1 38 LYS QD 5.000 . 5.850 4.482 4.482 4.482 . 0 0 "[ ]" 1
279 1 38 LYS H 2 89 ALA MB 6.000 3.000 7.530 6.122 6.122 6.122 . 0 0 "[ ]" 1
280 1 38 LYS H 2 92 LEU HG 5.000 . 5.000 4.774 4.774 4.774 . 0 0 "[ ]" 1
281 1 36 VAL HA 1 39 GLY H 5.000 . 5.000 5.142 5.142 5.142 0.142 1 0 "[ ]" 1
282 1 37 ALA H 1 39 GLY H 5.000 . 5.000 4.566 4.566 4.566 . 0 0 "[ ]" 1
283 1 38 LYS HA 1 39 GLY H 3.600 . 3.600 3.530 3.530 3.530 . 0 0 "[ ]" 1
284 1 38 LYS QB 1 39 GLY H 5.000 . 5.860 2.306 2.306 2.306 . 0 0 "[ ]" 1
285 1 38 LYS QD 1 39 GLY H 5.000 . 5.850 4.518 4.518 4.518 . 0 0 "[ ]" 1
286 1 38 LYS H 1 39 GLY H 3.300 . 3.300 2.362 2.362 2.362 . 0 0 "[ ]" 1
287 1 39 GLY H 1 40 ASP H 3.300 . 3.300 2.829 2.829 2.829 . 0 0 "[ ]" 1
288 1 39 GLY H 2 92 LEU QD 5.000 . 7.810 4.324 4.324 4.324 . 0 0 "[ ]" 1
289 1 35 THR MG 1 40 ASP HA 6.000 3.000 7.530 4.912 4.912 4.912 . 0 0 "[ ]" 1
290 1 37 ALA HA 1 40 ASP H 5.000 . 5.000 5.089 5.089 5.089 0.089 1 0 "[ ]" 1
291 1 38 LYS H 1 40 ASP H 5.000 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 1
292 1 39 GLY QA 1 40 ASP H 3.600 . 4.120 2.981 2.981 2.981 . 0 0 "[ ]" 1
293 1 40 ASP H 1 40 ASP QB 3.300 . 4.160 2.037 2.037 2.037 . 0 0 "[ ]" 1
294 1 40 ASP H 2 89 ALA MB 5.000 . 6.530 5.248 5.248 5.248 . 0 0 "[ ]" 1
295 1 41 LYS HA 1 51 LYS HA 3.300 . 3.300 3.314 3.314 3.314 0.014 1 0 "[ ]" 1
296 1 41 LYS HA 1 51 LYS QB 5.000 . 5.880 4.847 4.847 4.847 . 0 0 "[ ]" 1
297 1 41 LYS HA 1 52 PRO QD 5.000 . 5.880 3.677 3.677 3.677 . 0 0 "[ ]" 1
298 1 40 ASP HA 1 41 LYS H 3.600 . 3.600 3.517 3.517 3.517 . 0 0 "[ ]" 1
299 1 40 ASP QB 1 41 LYS H 3.300 . 4.160 2.128 2.128 2.128 . 0 0 "[ ]" 1
300 1 40 ASP H 1 41 LYS H 5.000 . 5.000 3.338 3.338 3.338 . 0 0 "[ ]" 1
301 1 41 LYS H 1 41 LYS QB 3.300 . 3.920 2.562 2.562 2.562 . 0 0 "[ ]" 1
302 1 41 LYS H 1 41 LYS QD 5.000 . 5.880 3.881 3.881 3.881 . 0 0 "[ ]" 1
303 1 41 LYS H 2 89 ALA MB 6.000 3.000 7.530 6.319 6.319 6.319 . 0 0 "[ ]" 1
304 1 42 VAL HA 1 42 VAL QG 2.700 . 5.510 2.230 2.230 2.230 . 0 0 "[ ]" 1
305 1 41 LYS HA 1 42 VAL H 3.600 . 3.600 2.285 2.285 2.285 . 0 0 "[ ]" 1
306 1 41 LYS QB 1 42 VAL H 5.000 . 5.860 3.639 3.639 3.639 . 0 0 "[ ]" 1
307 1 41 LYS QG 1 42 VAL H 5.000 . 5.880 4.532 4.532 4.532 . 0 0 "[ ]" 1
308 1 41 LYS H 1 42 VAL H 5.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 1
309 1 42 VAL H 1 42 VAL QG 3.300 . 6.110 2.437 2.437 2.437 . 0 0 "[ ]" 1
310 1 42 VAL H 1 50 ILE HB 5.000 . 5.000 3.181 3.181 3.181 . 0 0 "[ ]" 1
311 1 42 VAL H 1 50 ILE QG 5.000 . 5.880 4.379 4.379 4.379 . 0 0 "[ ]" 1
312 1 42 VAL H 1 50 ILE H 3.300 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
313 1 42 VAL H 1 51 LYS HA 5.000 . 5.000 4.433 4.433 4.433 . 0 0 "[ ]" 1
314 1 43 GLN HA 1 43 GLN QG 3.300 . 3.950 2.372 2.372 2.372 . 0 0 "[ ]" 1
315 1 43 GLN HA 1 49 ASN HA 3.300 . 3.300 2.006 2.006 2.006 . 0 0 "[ ]" 1
316 1 43 GLN HA 1 49 ASN QB 5.000 . 5.880 3.491 3.491 3.491 . 0 0 "[ ]" 1
317 1 42 VAL HA 1 43 GLN H 3.600 . 3.600 2.347 2.347 2.347 . 0 0 "[ ]" 1
318 1 43 GLN H 1 43 GLN QB 3.300 . 3.920 2.616 2.616 2.616 . 0 0 "[ ]" 1
319 1 43 GLN H 1 43 GLN HG3 3.300 . 3.300 3.026 3.026 3.026 . 0 0 "[ ]" 1
320 1 43 GLN H 1 43 GLN HG2 5.000 . 5.000 4.021 4.021 4.021 . 0 0 "[ ]" 1
321 1 43 GLN HA 1 44 LEU H 3.600 . 3.600 2.308 2.308 2.308 . 0 0 "[ ]" 1
322 1 44 LEU H 1 44 LEU QD 3.300 . 6.110 3.884 3.884 3.884 . 0 0 "[ ]" 1
323 1 44 LEU H 1 44 LEU HG 5.000 . 5.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
324 1 44 LEU H 1 48 LEU QD 5.000 . 7.810 4.583 4.583 4.583 . 0 0 "[ ]" 1
325 1 44 LEU H 1 48 LEU H 3.300 . 3.300 2.801 2.801 2.801 . 0 0 "[ ]" 1
326 1 44 LEU H 2 28 PHE QD 5.000 . 5.000 8.637 8.637 8.637 3.637 1 1 [+] 1
327 1 45 THR HA 1 45 THR MG 2.700 . 3.880 2.274 2.274 2.274 . 0 0 "[ ]" 1
328 1 45 THR H 1 45 THR MG 3.300 . 4.770 3.898 3.898 3.898 . 0 0 "[ ]" 1
329 1 47 PHE HA 1 85 LEU QB 5.000 . 5.880 4.660 4.660 4.660 . 0 0 "[ ]" 1
330 1 47 PHE HA 1 85 LEU QD 5.000 . 7.810 2.422 2.422 2.422 . 0 0 "[ ]" 1
331 1 44 LEU QD 1 47 PHE QD 3.300 . 6.130 1.915 1.915 1.915 . 0 0 "[ ]" 1
332 1 47 PHE HA 1 47 PHE QD 3.300 . 3.300 2.223 2.223 2.223 . 0 0 "[ ]" 1
333 1 47 PHE QB 1 47 PHE QD 2.700 . 3.580 2.166 2.166 2.166 . 0 0 "[ ]" 1
334 1 32 THR HA 1 47 PHE QE 6.000 3.000 6.000 11.758 11.758 11.758 5.758 1 1 [+] 1
335 1 44 LEU QD 1 47 PHE QE 3.300 . 6.130 3.007 3.007 3.007 . 0 0 "[ ]" 1
336 1 47 PHE HA 1 47 PHE QE 5.000 . 5.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
337 1 47 PHE QB 1 47 PHE QE 3.300 . 4.180 3.920 3.920 3.920 . 0 0 "[ ]" 1
338 1 44 LEU H 1 47 PHE H 3.300 . 3.300 3.385 3.385 3.385 0.085 1 0 "[ ]" 1
339 1 47 PHE H 1 47 PHE QB 3.300 . 4.170 2.819 2.819 2.819 . 0 0 "[ ]" 1
340 1 47 PHE H 1 47 PHE QD 5.000 . 5.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
341 1 48 LEU HA 1 48 LEU MD2 3.300 . 4.780 3.806 3.806 3.806 . 0 0 "[ ]" 1
342 1 44 LEU QD 1 48 LEU H 5.000 . 7.830 3.499 3.499 3.499 . 0 0 "[ ]" 1
343 1 47 PHE H 1 48 LEU H 5.000 . 5.000 1.976 1.976 1.976 . 0 0 "[ ]" 1
344 1 48 LEU H 1 48 LEU QB 3.300 . 3.920 2.529 2.529 2.529 . 0 0 "[ ]" 1
345 1 48 LEU H 1 48 LEU QD 3.300 . 6.110 3.917 3.917 3.917 . 0 0 "[ ]" 1
346 1 48 LEU H 1 48 LEU HG 5.000 . 5.000 4.490 4.490 4.490 . 0 0 "[ ]" 1
347 1 43 GLN QB 1 49 ASN HA 5.000 . 5.880 3.961 3.961 3.961 . 0 0 "[ ]" 1
348 1 43 GLN QG 1 49 ASN HA 5.000 . 5.880 3.146 3.146 3.146 . 0 0 "[ ]" 1
349 1 44 LEU QD 1 49 ASN H 5.000 . 7.810 5.651 5.651 5.651 . 0 0 "[ ]" 1
350 1 49 ASN H 1 49 ASN QB 2.700 . 3.320 2.623 2.623 2.623 . 0 0 "[ ]" 1
351 1 49 ASN H 1 79 VAL QG 5.000 . 7.810 2.255 2.255 2.255 . 0 0 "[ ]" 1
352 1 49 ASN H 1 80 LYS H 3.300 . 3.300 3.325 3.325 3.325 0.025 1 0 "[ ]" 1
353 1 49 ASN H 1 81 PRO HA 5.000 . 5.000 2.786 2.786 2.786 . 0 0 "[ ]" 1
354 1 42 VAL MG1 1 50 ILE HA 3.300 . 4.830 3.848 3.848 3.848 . 0 0 "[ ]" 1
355 1 42 VAL MG2 1 50 ILE HA 6.000 3.000 7.530 6.276 6.276 6.276 . 0 0 "[ ]" 1
356 1 50 ILE HA 1 50 ILE MD 3.300 . 4.830 3.886 3.886 3.886 . 0 0 "[ ]" 1
357 1 50 ILE HA 1 79 VAL HA 3.300 . 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 1
358 1 42 VAL HB 1 50 ILE H 5.000 . 5.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
359 1 43 GLN HA 1 50 ILE H 3.300 . 3.300 3.382 3.382 3.382 0.082 1 0 "[ ]" 1
360 1 49 ASN HA 1 50 ILE H 2.700 . 2.700 2.192 2.192 2.192 . 0 0 "[ ]" 1
361 1 49 ASN QB 1 50 ILE H 3.300 . 4.180 3.544 3.544 3.544 . 0 0 "[ ]" 1
362 1 50 ILE H 1 50 ILE HB 3.300 . 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 1
363 1 50 ILE H 1 50 ILE MD 2.700 . 4.230 3.567 3.567 3.567 . 0 0 "[ ]" 1
364 1 50 ILE H 1 50 ILE MG 3.300 . 4.780 3.810 3.810 3.810 . 0 0 "[ ]" 1
365 1 50 ILE H 1 79 VAL QG 5.000 . 7.810 3.331 3.331 3.331 . 0 0 "[ ]" 1
366 1 41 LYS QB 1 51 LYS HA 5.000 . 5.880 4.509 4.509 4.509 . 0 0 "[ ]" 1
367 1 51 LYS HA 1 52 PRO QD 5.000 . 5.880 2.040 2.040 2.040 . 0 0 "[ ]" 1
368 1 50 ILE HA 1 51 LYS H 3.300 . 3.300 2.223 2.223 2.223 . 0 0 "[ ]" 1
369 1 51 LYS H 1 51 LYS QB 3.300 . 3.920 2.824 2.824 2.824 . 0 0 "[ ]" 1
370 1 51 LYS H 1 51 LYS QD 5.000 . 5.880 3.968 3.968 3.968 . 0 0 "[ ]" 1
371 1 51 LYS H 1 52 PRO QD 3.300 . 4.180 3.741 3.741 3.741 . 0 0 "[ ]" 1
372 1 51 LYS H 1 78 SER QB 5.000 . 5.880 4.252 4.252 4.252 . 0 0 "[ ]" 1
373 1 51 LYS H 1 78 SER H 3.300 . 3.300 3.409 3.409 3.409 0.109 1 0 "[ ]" 1
374 1 51 LYS H 1 79 VAL HA 5.000 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
375 1 52 PRO HA 1 53 VAL H 3.600 . 3.600 2.326 2.326 2.326 . 0 0 "[ ]" 1
376 1 53 VAL H 1 53 VAL HB 3.300 . 3.300 2.738 2.738 2.738 . 0 0 "[ ]" 1
377 1 53 VAL H 1 53 VAL MG2 3.300 . 4.770 2.900 2.900 2.900 . 0 0 "[ ]" 1
378 1 53 VAL H 1 75 VAL MG2 5.000 . 6.530 5.053 5.053 5.053 . 0 0 "[ ]" 1
379 1 53 VAL H 1 76 GLY QA 5.000 . 5.800 4.388 4.388 4.388 . 0 0 "[ ]" 1
380 1 53 VAL H 2 89 ALA MB 6.000 3.000 7.530 4.094 4.094 4.094 . 0 0 "[ ]" 1
381 1 54 ALA HA 1 75 VAL QG 5.000 . 7.810 1.865 1.865 1.865 . 0 0 "[ ]" 1
382 1 54 ALA MB 2 98 ALA HA 3.300 . 4.830 4.669 4.669 4.669 . 0 0 "[ ]" 1
383 1 53 VAL QG 1 54 ALA H 5.000 . 7.810 3.465 3.465 3.465 . 0 0 "[ ]" 1
384 1 53 VAL H 1 54 ALA H 5.000 . 5.000 3.634 3.634 3.634 . 0 0 "[ ]" 1
385 1 54 ALA H 1 54 ALA MB 2.700 . 3.890 2.140 2.140 2.140 . 0 0 "[ ]" 1
386 1 54 ALA H 2 94 TYR QE 6.000 3.000 6.000 4.531 4.531 4.531 . 0 0 "[ ]" 1
387 1 54 ALA H 2 98 ALA MB 6.000 3.000 7.530 6.141 6.141 6.141 . 0 0 "[ ]" 1
388 1 54 ALA MB 1 55 ARG HA 5.000 . 6.530 4.066 4.066 4.066 . 0 0 "[ ]" 1
389 1 55 ARG HA 1 55 ARG QG 3.300 . 3.950 3.302 3.302 3.302 . 0 0 "[ ]" 1
390 1 54 ALA HA 1 55 ARG H 3.300 . 3.300 2.100 2.100 2.100 . 0 0 "[ ]" 1
391 1 54 ALA MB 1 55 ARG H 2.700 . 4.170 2.808 2.808 2.808 . 0 0 "[ ]" 1
392 1 54 ALA H 1 55 ARG H 5.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
393 1 55 ARG H 1 55 ARG QD 5.000 . 5.500 4.214 4.214 4.214 . 0 0 "[ ]" 1
394 1 55 ARG H 1 56 GLN H 5.000 . 5.000 3.230 3.230 3.230 . 0 0 "[ ]" 1
395 1 55 ARG H 1 74 SER HA 5.000 . 5.000 2.734 2.734 2.734 . 0 0 "[ ]" 1
396 1 55 ARG H 1 74 SER H 3.300 . 3.300 4.034 4.034 4.034 0.734 1 1 [+] 1
397 1 55 ARG H 2 94 TYR QE 5.000 . 6.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
398 1 56 GLN HA 1 73 PRO QD 6.000 3.000 6.850 6.043 6.043 6.043 . 0 0 "[ ]" 1
399 1 56 GLN H 1 56 GLN QB 3.300 . 3.920 2.616 2.616 2.616 . 0 0 "[ ]" 1
400 1 56 GLN H 1 56 GLN QG 3.300 . 4.170 3.659 3.659 3.659 . 0 0 "[ ]" 1
401 1 56 GLN H 1 74 SER HA 2.700 . 2.700 3.089 3.089 3.089 0.389 1 0 "[ ]" 1
402 1 56 GLN H 1 74 SER QB 3.300 . 4.180 1.880 1.880 1.880 . 0 0 "[ ]" 1
403 1 57 ALA H 1 57 ALA MB 2.700 . 3.890 2.760 2.760 2.760 . 0 0 "[ ]" 1
404 1 57 ALA H 2 94 TYR QE 5.000 . 5.000 4.861 4.861 4.861 . 0 0 "[ ]" 1
405 1 57 ALA H 1 72 ALA HA 5.000 . 5.000 4.682 4.682 4.682 . 0 0 "[ ]" 1
406 1 57 ALA HA 1 58 ARG HA 5.000 . 5.000 4.369 4.369 4.369 . 0 0 "[ ]" 1
407 1 57 ALA MB 1 58 ARG HA 5.000 . 6.530 4.206 4.206 4.206 . 0 0 "[ ]" 1
408 1 58 ARG HA 1 58 ARG QG 3.300 . 3.950 3.041 3.041 3.041 . 0 0 "[ ]" 1
409 1 57 ALA HA 1 58 ARG H 3.300 . 3.300 2.156 2.156 2.156 . 0 0 "[ ]" 1
410 1 57 ALA MB 1 58 ARG H 2.700 . 4.190 3.463 3.463 3.463 . 0 0 "[ ]" 1
411 1 58 ARG H 1 58 ARG QB 3.300 . 4.180 3.026 3.026 3.026 . 0 0 "[ ]" 1
412 1 58 ARG H 1 58 ARG QG 3.300 . 4.170 3.828 3.828 3.828 . 0 0 "[ ]" 1
413 1 58 ARG H 1 71 ILE HB 5.000 . 5.000 4.663 4.663 4.663 . 0 0 "[ ]" 1
414 1 58 ARG H 1 71 ILE MD 3.300 . 4.830 4.281 4.281 4.281 . 0 0 "[ ]" 1
415 1 58 ARG H 1 71 ILE MG 5.000 . 6.530 4.678 4.678 4.678 . 0 0 "[ ]" 1
416 1 58 ARG QB 1 59 LYS H 5.000 . 5.860 3.929 3.929 3.929 . 0 0 "[ ]" 1
417 1 58 ARG QG 1 59 LYS H 5.000 . 5.880 3.807 3.807 3.807 . 0 0 "[ ]" 1
418 1 60 GLY H 1 69 LEU QB 3.300 . 4.180 2.780 2.780 2.780 . 0 0 "[ ]" 1
419 1 60 GLY H 1 69 LEU QD 3.300 . 6.110 3.721 3.721 3.721 . 0 0 "[ ]" 1
420 1 60 GLY H 1 69 LEU HG 5.000 . 5.000 5.185 5.185 5.185 0.185 1 0 "[ ]" 1
421 1 61 PHE HA 1 61 PHE QD 3.300 . 3.300 3.733 3.733 3.733 0.433 1 0 "[ ]" 1
422 1 61 PHE H 1 61 PHE QD 5.000 . 5.000 2.850 2.850 2.850 . 0 0 "[ ]" 1
423 1 61 PHE QD 1 64 GLN HA 5.000 . 6.500 5.430 5.430 5.430 . 0 0 "[ ]" 1
424 1 61 PHE QD 1 64 GLN QB 5.000 . 7.380 3.399 3.399 3.399 . 0 0 "[ ]" 1
425 1 61 PHE QD 1 66 GLN HA 5.000 . 6.500 6.117 6.117 6.117 . 0 0 "[ ]" 1
426 1 61 PHE QD 1 66 GLN QB 5.000 . 5.880 5.379 5.379 5.379 . 0 0 "[ ]" 1
427 1 61 PHE QD 1 68 ALA HA 5.000 . 6.500 4.642 4.642 4.642 . 0 0 "[ ]" 1
428 1 61 PHE QD 1 68 ALA MB 5.000 . 6.370 3.788 3.788 3.788 . 0 0 "[ ]" 1
429 1 61 PHE H 1 67 GLU HA 3.300 . 3.300 3.300 3.300 3.300 . 0 0 "[ ]" 1
430 1 61 PHE H 1 67 GLU QB 5.000 . 5.880 5.135 5.135 5.135 . 0 0 "[ ]" 1
431 1 61 PHE H 1 67 GLU QG 5.000 . 5.880 4.139 4.139 4.139 . 0 0 "[ ]" 1
432 1 61 PHE H 1 67 GLU H 5.000 . 5.000 5.065 5.065 5.065 0.065 1 0 "[ ]" 1
433 1 61 PHE H 1 68 ALA HA 3.300 . 3.300 3.590 3.590 3.590 0.290 1 0 "[ ]" 1
434 1 61 PHE H 1 68 ALA MB 3.300 . 4.830 4.133 4.133 4.133 . 0 0 "[ ]" 1
435 1 61 PHE H 1 68 ALA H 5.000 . 5.000 1.940 1.940 1.940 . 0 0 "[ ]" 1
436 1 61 PHE HZ 1 64 GLN HA 5.000 . 5.000 5.694 5.694 5.694 0.694 1 1 [+] 1
437 1 61 PHE HZ 1 66 GLN HA 5.000 . 5.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
438 1 61 PHE HZ 1 66 GLN QB 3.300 . 4.180 2.576 2.576 2.576 . 0 0 "[ ]" 1
439 1 61 PHE HZ 1 67 GLU HA 6.000 3.000 6.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
440 1 61 PHE HZ 1 67 GLU H 3.300 . 3.300 2.457 2.457 2.457 . 0 0 "[ ]" 1
441 1 61 PHE HZ 1 68 ALA MB 5.000 . 5.880 3.055 3.055 3.055 . 0 0 "[ ]" 1
442 1 62 ASN HA 1 63 PRO QD 2.700 . 3.550 2.174 2.174 2.174 . 0 0 "[ ]" 1
443 1 62 ASN QD 1 65 THR MG 3.300 . 5.710 4.361 4.361 4.361 . 0 0 "[ ]" 1
444 1 61 PHE HA 1 62 ASN H 3.300 . 3.300 3.443 3.443 3.443 0.143 1 0 "[ ]" 1
445 1 61 PHE QB 1 62 ASN H 5.000 . 5.880 3.352 3.352 3.352 . 0 0 "[ ]" 1
446 1 62 ASN H 1 62 ASN QB 3.300 . 3.920 3.578 3.578 3.578 . 0 0 "[ ]" 1
447 1 62 ASN H 1 67 GLU QB 5.000 . 5.880 4.372 4.372 4.372 . 0 0 "[ ]" 1
448 1 62 ASN H 1 67 GLU QG 3.300 . 4.180 3.012 3.012 3.012 . 0 0 "[ ]" 1
449 1 62 ASN H 1 67 GLU H 5.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
450 1 62 ASN H 1 68 ALA H 5.000 . 5.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
451 1 64 GLN HA 1 64 GLN HG3 3.300 . 3.300 2.495 2.495 2.495 . 0 0 "[ ]" 1
452 1 62 ASN HA 1 64 GLN H 5.000 . 5.000 4.971 4.971 4.971 . 0 0 "[ ]" 1
453 1 63 PRO QB 1 64 GLN H 5.000 . 5.860 3.899 3.899 3.899 . 0 0 "[ ]" 1
454 1 63 PRO QD 1 64 GLN H 3.300 . 4.180 4.157 4.157 4.157 . 0 0 "[ ]" 1
455 1 64 GLN H 1 64 GLN QB 2.700 . 3.320 2.954 2.954 2.954 . 0 0 "[ ]" 1
456 1 64 GLN H 1 65 THR HG1 5.000 . 6.830 5.003 5.003 5.003 . 0 0 "[ ]" 1
457 1 64 GLN H 1 65 THR H 3.300 . 3.300 3.040 3.040 3.040 . 0 0 "[ ]" 1
458 1 64 GLN H 1 66 GLN HA 3.300 . 3.300 3.807 3.807 3.807 0.507 1 1 [+] 1
459 1 65 THR HA 1 65 THR MG 2.700 . 3.890 2.139 2.139 2.139 . 0 0 "[ ]" 1
460 1 62 ASN HB2 1 65 THR H 6.000 3.000 6.000 4.904 4.904 4.904 . 0 0 "[ ]" 1
461 1 64 GLN HA 1 65 THR H 5.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
462 1 64 GLN HB3 1 65 THR H 3.300 . 3.300 1.964 1.964 1.964 . 0 0 "[ ]" 1
463 1 64 GLN HB2 1 65 THR H 5.000 . 5.000 3.321 3.321 3.321 . 0 0 "[ ]" 1
464 1 65 THR H 1 65 THR HB 3.300 . 3.300 3.394 3.394 3.394 0.094 1 0 "[ ]" 1
465 1 65 THR H 1 65 THR MG 3.300 . 4.490 3.280 3.280 3.280 . 0 0 "[ ]" 1
466 1 65 THR H 1 66 GLN HA 5.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
467 1 66 GLN HA 1 66 GLN QG 3.300 . 3.950 2.264 2.264 2.264 . 0 0 "[ ]" 1
468 1 64 GLN HA 1 66 GLN H 5.000 . 5.000 3.832 3.832 3.832 . 0 0 "[ ]" 1
469 1 65 THR HA 1 66 GLN H 3.300 . 3.300 3.413 3.413 3.413 0.113 1 0 "[ ]" 1
470 1 65 THR HG1 1 66 GLN H 3.300 . 4.830 3.922 3.922 3.922 . 0 0 "[ ]" 1
471 1 65 THR H 1 66 GLN H 3.300 . 3.300 2.619 2.619 2.619 . 0 0 "[ ]" 1
472 1 66 GLN H 1 66 GLN QB 2.700 . 3.320 3.171 3.171 3.171 . 0 0 "[ ]" 1
473 1 66 GLN H 1 66 GLN QG 3.300 . 4.170 3.628 3.628 3.628 . 0 0 "[ ]" 1
474 1 66 GLN H 1 67 GLU H 5.000 . 5.000 1.968 1.968 1.968 . 0 0 "[ ]" 1
475 1 67 GLU HA 1 67 GLU QG 3.300 . 3.950 2.147 2.147 2.147 . 0 0 "[ ]" 1
476 1 62 ASN QB 1 67 GLU H 5.000 . 5.880 5.196 5.196 5.196 . 0 0 "[ ]" 1
477 1 66 GLN HA 1 67 GLU H 3.300 . 3.300 2.933 2.933 2.933 . 0 0 "[ ]" 1
478 1 67 GLU H 1 67 GLU QB 3.300 . 3.920 2.719 2.719 2.719 . 0 0 "[ ]" 1
479 1 67 GLU H 1 67 GLU QG 3.300 . 4.170 3.675 3.675 3.675 . 0 0 "[ ]" 1
480 1 61 PHE HA 1 68 ALA H 5.000 . 5.000 4.653 4.653 4.653 . 0 0 "[ ]" 1
481 1 67 GLU H 1 68 ALA H 5.000 . 5.000 3.624 3.624 3.624 . 0 0 "[ ]" 1
482 1 68 ALA H 1 68 ALA MB 2.700 . 3.890 2.829 2.829 2.829 . 0 0 "[ ]" 1
483 1 69 LEU HA 1 69 LEU MD1 3.300 . 4.680 3.714 3.714 3.714 . 0 0 "[ ]" 1
484 1 69 LEU HA 1 69 LEU MD2 2.700 . 4.080 2.090 2.090 2.090 . 0 0 "[ ]" 1
485 1 69 LEU HA 1 69 LEU HG 3.300 . 3.300 2.507 2.507 2.507 . 0 0 "[ ]" 1
486 1 69 LEU H 1 69 LEU QD 3.300 . 6.110 3.871 3.871 3.871 . 0 0 "[ ]" 1
487 1 69 LEU H 1 69 LEU HG 5.000 . 5.000 3.935 3.935 3.935 . 0 0 "[ ]" 1
488 1 65 THR HB 1 69 LEU H 3.300 . 3.300 3.993 3.993 3.993 0.693 1 1 [+] 1
489 1 70 GLU H 1 70 GLU QB 3.300 . 3.920 2.378 2.378 2.378 . 0 0 "[ ]" 1
490 1 71 ILE HA 1 71 ILE MD 3.300 . 4.780 3.152 3.152 3.152 . 0 0 "[ ]" 1
491 1 71 ILE HA 1 71 ILE QG 3.300 . 3.950 3.436 3.436 3.436 . 0 0 "[ ]" 1
492 1 71 ILE HA 1 71 ILE MG 3.300 . 4.490 2.704 2.704 2.704 . 0 0 "[ ]" 1
493 1 71 ILE H 1 71 ILE HB 3.300 . 3.300 3.555 3.555 3.555 0.255 1 0 "[ ]" 1
494 1 71 ILE H 1 71 ILE MD 3.300 . 4.830 4.083 4.083 4.083 . 0 0 "[ ]" 1
495 1 71 ILE H 1 71 ILE MG 3.300 . 4.780 1.942 1.942 1.942 . 0 0 "[ ]" 1
496 1 57 ALA HA 1 72 ALA HA 5.000 . 5.000 4.360 4.360 4.360 . 0 0 "[ ]" 1
497 1 57 ALA MB 1 72 ALA HA 5.000 . 6.530 5.666 5.666 5.666 . 0 0 "[ ]" 1
498 1 72 ALA HA 1 73 PRO QB 5.000 . 5.880 5.005 5.005 5.005 . 0 0 "[ ]" 1
499 1 72 ALA HA 1 73 PRO QD 3.300 . 4.180 2.334 2.334 2.334 . 0 0 "[ ]" 1
500 1 72 ALA MB 1 73 PRO HA 5.000 . 6.530 4.193 4.193 4.193 . 0 0 "[ ]" 1
501 1 72 ALA MB 1 73 PRO HD3 3.300 . 4.830 2.635 2.635 2.635 . 0 0 "[ ]" 1
502 1 72 ALA MB 1 73 PRO HD2 5.000 . 6.530 1.870 1.870 1.870 . 0 0 "[ ]" 1
503 1 71 ILE HA 1 72 ALA H 2.700 . 2.700 2.254 2.254 2.254 . 0 0 "[ ]" 1
504 1 71 ILE HB 1 72 ALA H 5.000 . 5.000 3.138 3.138 3.138 . 0 0 "[ ]" 1
505 1 71 ILE MG 1 72 ALA H 5.000 . 6.530 4.304 4.304 4.304 . 0 0 "[ ]" 1
506 1 72 ALA H 1 72 ALA MB 2.700 . 3.890 2.359 2.359 2.359 . 0 0 "[ ]" 1
507 1 73 PRO QB 1 73 PRO HD3 3.300 . 3.950 3.517 3.517 3.517 . 0 0 "[ ]" 1
508 1 74 SER HA 1 75 VAL QG 5.000 . 7.880 3.699 3.699 3.699 . 0 0 "[ ]" 1
509 1 54 ALA HA 1 74 SER H 5.000 . 5.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
510 1 54 ALA H 1 74 SER H 6.000 3.000 6.000 6.514 6.514 6.514 0.514 1 1 [+] 1
511 1 74 SER H 2 94 TYR QD 5.000 . 5.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
512 1 74 SER H 2 94 TYR QE 5.000 . 5.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
513 1 73 PRO HA 1 74 SER H 3.300 . 3.300 2.308 2.308 2.308 . 0 0 "[ ]" 1
514 1 74 SER H 1 74 SER QB 3.300 . 3.920 2.134 2.134 2.134 . 0 0 "[ ]" 1
515 1 75 VAL HA 1 75 VAL QG 2.700 . 4.930 1.963 1.963 1.963 . 0 0 "[ ]" 1
516 1 75 VAL HA 2 89 ALA MB 6.000 3.000 7.530 4.166 4.166 4.166 . 0 0 "[ ]" 1
517 1 75 VAL QG 2 94 TYR QD 5.000 . 7.810 2.999 2.999 2.999 . 0 0 "[ ]" 1
518 1 75 VAL QG 2 97 PHE QD 5.000 . 7.810 3.883 3.883 3.883 . 0 0 "[ ]" 1
519 1 75 VAL QG 2 97 PHE QE 5.000 . 7.810 4.622 4.622 4.622 . 0 0 "[ ]" 1
520 1 55 ARG HA 1 75 VAL H 5.000 . 5.000 5.073 5.073 5.073 0.073 1 0 "[ ]" 1
521 1 75 VAL H 2 89 ALA MB 6.000 3.000 7.530 5.405 5.405 5.405 . 0 0 "[ ]" 1
522 1 74 SER QB 1 75 VAL H 3.300 . 4.160 3.633 3.633 3.633 . 0 0 "[ ]" 1
523 1 75 VAL H 1 76 GLY QA 5.000 . 5.800 4.741 4.741 4.741 . 0 0 "[ ]" 1
524 1 54 ALA MB 1 76 GLY H 5.000 . 6.530 4.793 4.793 4.793 . 0 0 "[ ]" 1
525 1 76 GLY H 2 89 ALA MB 3.300 . 4.830 4.057 4.057 4.057 . 0 0 "[ ]" 1
526 1 53 VAL HB 1 76 GLY H 3.300 . 3.300 3.426 3.426 3.426 0.126 1 0 "[ ]" 1
527 1 53 VAL QG 1 77 VAL HA 5.000 . 7.810 4.180 4.180 4.180 . 0 0 "[ ]" 1
528 1 77 VAL HA 1 77 VAL QG 2.700 . 5.510 2.157 2.157 2.157 . 0 0 "[ ]" 1
529 1 36 VAL QG 1 77 VAL HA 3.300 . 6.110 4.109 4.109 4.109 . 0 0 "[ ]" 1
530 1 77 VAL H 1 77 VAL QG 3.300 . 6.110 2.194 2.194 2.194 . 0 0 "[ ]" 1
531 1 77 VAL QG 1 78 SER HA 3.300 . 6.110 3.637 3.637 3.637 . 0 0 "[ ]" 1
532 1 52 PRO HA 1 78 SER H 5.000 . 5.000 2.676 2.676 2.676 . 0 0 "[ ]" 1
533 1 53 VAL H 1 78 SER H 5.000 . 5.000 3.949 3.949 3.949 . 0 0 "[ ]" 1
534 1 77 VAL HA 1 78 SER H 3.600 . 3.600 2.149 2.149 2.149 . 0 0 "[ ]" 1
535 1 77 VAL QG 1 78 SER H 3.300 . 6.110 2.521 2.521 2.521 . 0 0 "[ ]" 1
536 1 77 VAL H 1 78 SER H 5.000 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
537 1 78 SER H 1 78 SER QB 2.700 . 3.320 2.437 2.437 2.437 . 0 0 "[ ]" 1
538 1 78 SER H 1 79 VAL H 5.000 . 5.000 4.413 4.413 4.413 . 0 0 "[ ]" 1
539 1 79 VAL HA 1 79 VAL QG 2.700 . 5.510 2.110 2.110 2.110 . 0 0 "[ ]" 1
540 1 78 SER HA 1 79 VAL H 3.600 . 3.600 2.204 2.204 2.204 . 0 0 "[ ]" 1
541 1 78 SER QB 1 79 VAL H 5.000 . 5.860 3.520 3.520 3.520 . 0 0 "[ ]" 1
542 1 79 VAL H 1 79 VAL MG1 3.300 . 4.780 3.940 3.940 3.940 . 0 0 "[ ]" 1
543 1 79 VAL H 1 80 LYS H 5.000 . 5.000 4.368 4.368 4.368 . 0 0 "[ ]" 1
544 1 79 VAL H 2 80 LYS QD 5.000 . 5.880 3.732 3.732 3.732 . 0 0 "[ ]" 1
545 1 79 VAL H 2 80 LYS QG 5.000 . 5.880 4.022 4.022 4.022 . 0 0 "[ ]" 1
546 1 80 LYS HA 1 81 PRO QD 3.300 . 4.180 2.084 2.084 2.084 . 0 0 "[ ]" 1
547 1 49 ASN QB 1 80 LYS H 3.300 . 4.180 2.625 2.625 2.625 . 0 0 "[ ]" 1
548 1 79 VAL HA 1 80 LYS H 3.600 . 3.600 2.147 2.147 2.147 . 0 0 "[ ]" 1
549 1 79 VAL HB 1 80 LYS H 5.000 . 5.000 3.915 3.915 3.915 . 0 0 "[ ]" 1
550 1 79 VAL MG1 1 80 LYS H 2.700 . 4.230 2.078 2.078 2.078 . 0 0 "[ ]" 1
551 1 79 VAL MG2 1 80 LYS H 5.000 . 6.530 3.945 3.945 3.945 . 0 0 "[ ]" 1
552 1 80 LYS H 1 80 LYS QB 3.300 . 3.920 2.460 2.460 2.460 . 0 0 "[ ]" 1
553 1 80 LYS H 1 80 LYS QD 5.000 . 5.880 4.680 4.680 4.680 . 0 0 "[ ]" 1
554 1 80 LYS H 1 80 LYS QG 3.300 . 4.170 3.402 3.402 3.402 . 0 0 "[ ]" 1
555 1 81 PRO HA 1 81 PRO QG 3.300 . 3.950 3.209 3.209 3.209 . 0 0 "[ ]" 1
556 1 47 PHE HA 1 82 GLY H 5.000 . 5.000 3.902 3.902 3.902 . 0 0 "[ ]" 1
557 1 47 PHE QB 1 82 GLY H 5.000 . 5.880 5.453 5.453 5.453 . 0 0 "[ ]" 1
558 1 81 PRO HA 1 82 GLY H 3.600 . 3.600 2.697 2.697 2.697 . 0 0 "[ ]" 1
559 1 81 PRO QB 1 82 GLY H 5.000 . 5.860 2.293 2.293 2.293 . 0 0 "[ ]" 1
560 1 81 PRO QG 1 82 GLY H 5.000 . 5.880 4.206 4.206 4.206 . 0 0 "[ ]" 1
561 1 83 GLU HA 1 83 GLU QG 3.300 . 3.950 3.303 3.303 3.303 . 0 0 "[ ]" 1
562 1 82 GLY QA 1 83 GLU H 3.600 . 4.220 2.172 2.172 2.172 . 0 0 "[ ]" 1
563 1 82 GLY H 1 83 GLU H 5.000 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
564 1 83 GLU H 1 83 GLU QB 3.300 . 3.920 2.442 2.442 2.442 . 0 0 "[ ]" 1
565 1 83 GLU H 1 83 GLU QG 3.300 . 4.170 2.285 2.285 2.285 . 0 0 "[ ]" 1
566 1 83 GLU H 1 84 SER H 3.300 . 3.300 3.303 3.303 3.303 0.003 1 0 "[ ]" 1
567 1 83 GLU H 2 76 GLY QA 5.000 . 5.880 5.489 5.489 5.489 . 0 0 "[ ]" 1
568 1 83 GLU HA 1 84 SER H 3.600 . 3.600 3.582 3.582 3.582 . 0 0 "[ ]" 1
569 1 83 GLU QB 1 84 SER H 3.300 . 4.160 3.656 3.656 3.656 . 0 0 "[ ]" 1
570 1 83 GLU HG3 1 84 SER H 3.300 . 3.300 2.359 2.359 2.359 . 0 0 "[ ]" 1
571 1 83 GLU HG2 1 84 SER H 5.000 . 5.000 3.252 3.252 3.252 . 0 0 "[ ]" 1
572 1 84 SER H 1 84 SER QB 3.300 . 3.920 2.727 2.727 2.727 . 0 0 "[ ]" 1
573 1 84 SER H 1 85 LEU H 3.300 . 3.300 2.606 2.606 2.606 . 0 0 "[ ]" 1
574 1 84 SER H 1 86 LYS H 5.000 . 5.000 4.115 4.115 4.115 . 0 0 "[ ]" 1
575 1 47 PHE HA 1 84 SER H 6.000 3.000 6.000 6.221 6.221 6.221 0.221 1 0 "[ ]" 1
576 1 85 LEU HA 1 85 LEU QD 3.300 . 6.110 1.975 1.975 1.975 . 0 0 "[ ]" 1
577 1 85 LEU HA 1 85 LEU HG 3.300 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 1
578 1 84 SER HA 1 85 LEU H 3.600 . 3.600 3.558 3.558 3.558 . 0 0 "[ ]" 1
579 1 84 SER QB 1 85 LEU H 5.000 . 5.860 3.105 3.105 3.105 . 0 0 "[ ]" 1
580 1 85 LEU H 1 85 LEU QB 3.300 . 3.920 2.474 2.474 2.474 . 0 0 "[ ]" 1
581 1 85 LEU H 1 85 LEU HG 5.000 . 5.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
582 1 47 PHE HA 1 85 LEU H 5.000 . 5.000 4.829 4.829 4.829 . 0 0 "[ ]" 1
583 1 86 LYS HA 1 86 LYS QD 3.300 . 4.150 3.614 3.614 3.614 . 0 0 "[ ]" 1
584 1 86 LYS HA 1 86 LYS QG 3.300 . 3.950 3.378 3.378 3.378 . 0 0 "[ ]" 1
585 1 85 LEU HA 1 86 LYS H 3.600 . 3.600 3.575 3.575 3.575 . 0 0 "[ ]" 1
586 1 85 LEU HB3 1 86 LYS H 3.300 . 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 1
587 1 85 LEU HB2 1 86 LYS H 5.000 . 5.000 2.289 2.289 2.289 . 0 0 "[ ]" 1
588 1 85 LEU QD 1 86 LYS H 5.000 . 7.810 3.963 3.963 3.963 . 0 0 "[ ]" 1
589 1 85 LEU HG 1 86 LYS H 5.000 . 5.000 4.234 4.234 4.234 . 0 0 "[ ]" 1
590 1 85 LEU H 1 86 LYS H 3.300 . 3.300 2.847 2.847 2.847 . 0 0 "[ ]" 1
591 1 86 LYS H 1 86 LYS QB 3.300 . 3.920 2.600 2.600 2.600 . 0 0 "[ ]" 1
592 1 86 LYS H 1 86 LYS QD 3.300 . 4.170 3.796 3.796 3.796 . 0 0 "[ ]" 1
593 1 86 LYS H 1 87 LYS H 3.300 . 3.300 2.646 2.646 2.646 . 0 0 "[ ]" 1
594 1 86 LYS H 1 88 ALA H 5.000 . 5.000 4.244 4.244 4.244 . 0 0 "[ ]" 1
595 1 87 LYS HA 1 87 LYS QD 3.300 . 4.150 2.184 2.184 2.184 . 0 0 "[ ]" 1
596 1 87 LYS HA 1 87 LYS QG 3.300 . 3.950 2.308 2.308 2.308 . 0 0 "[ ]" 1
597 1 85 LEU H 1 87 LYS H 5.000 . 5.000 3.820 3.820 3.820 . 0 0 "[ ]" 1
598 1 86 LYS HA 1 87 LYS H 3.600 . 3.600 3.433 3.433 3.433 . 0 0 "[ ]" 1
599 1 87 LYS H 1 87 LYS QB 3.300 . 3.920 2.125 2.125 2.125 . 0 0 "[ ]" 1
600 1 87 LYS H 1 87 LYS QD 5.000 . 5.880 4.385 4.385 4.385 . 0 0 "[ ]" 1
601 1 87 LYS H 1 87 LYS QG 3.300 . 4.170 3.285 3.285 3.285 . 0 0 "[ ]" 1
602 1 87 LYS H 1 88 ALA H 3.300 . 3.300 2.460 2.460 2.460 . 0 0 "[ ]" 1
603 1 87 LYS H 1 89 ALA H 5.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 1
604 1 88 ALA MB 2 33 THR MG 3.300 . 6.360 4.031 4.031 4.031 . 0 0 "[ ]" 1
605 1 84 SER HA 1 88 ALA H 5.000 . 5.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
606 1 85 LEU HA 1 88 ALA H 5.000 . 5.000 3.731 3.731 3.731 . 0 0 "[ ]" 1
607 1 87 LYS HA 1 88 ALA H 3.600 . 3.600 3.508 3.508 3.508 . 0 0 "[ ]" 1
608 1 87 LYS QB 1 88 ALA H 5.000 . 5.860 2.718 2.718 2.718 . 0 0 "[ ]" 1
609 1 88 ALA H 1 88 ALA MB 2.700 . 3.890 2.029 2.029 2.029 . 0 0 "[ ]" 1
610 1 88 ALA H 1 89 ALA H 3.300 . 3.300 2.583 2.583 2.583 . 0 0 "[ ]" 1
611 1 89 ALA HA 2 54 ALA MB 5.000 . 6.530 5.710 5.710 5.710 . 0 0 "[ ]" 1
612 1 86 LYS HA 1 89 ALA H 5.000 . 5.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
613 1 86 LYS QB 1 89 ALA H 5.000 . 5.880 4.130 4.130 4.130 . 0 0 "[ ]" 1
614 1 86 LYS QG 1 89 ALA H 5.000 . 5.880 5.043 5.043 5.043 . 0 0 "[ ]" 1
615 1 88 ALA MB 1 89 ALA H 3.300 . 4.770 2.683 2.683 2.683 . 0 0 "[ ]" 1
616 1 89 ALA H 1 89 ALA MB 2.700 . 3.890 2.176 2.176 2.176 . 0 0 "[ ]" 1
617 1 90 GLU HA 1 90 GLU QG 3.300 . 3.950 3.341 3.341 3.341 . 0 0 "[ ]" 1
618 1 87 LYS HA 1 90 GLU H 5.000 . 5.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
619 1 88 ALA H 1 90 GLU H 5.000 . 5.000 4.151 4.151 4.151 . 0 0 "[ ]" 1
620 1 89 ALA HA 1 90 GLU H 3.600 . 3.600 3.214 3.214 3.214 . 0 0 "[ ]" 1
621 1 89 ALA MB 1 90 GLU H 3.300 . 4.770 3.579 3.579 3.579 . 0 0 "[ ]" 1
622 1 89 ALA H 1 90 GLU H 3.300 . 3.300 2.989 2.989 2.989 . 0 0 "[ ]" 1
623 1 90 GLU H 1 90 GLU QB 3.300 . 3.920 2.581 2.581 2.581 . 0 0 "[ ]" 1
624 1 90 GLU H 1 92 LEU H 5.000 . 5.000 5.081 5.081 5.081 0.081 1 0 "[ ]" 1
625 1 88 ALA HA 1 91 GLY H 5.000 . 5.000 4.695 4.695 4.695 . 0 0 "[ ]" 1
626 1 90 GLU HA 1 91 GLY H 3.600 . 3.600 3.185 3.185 3.185 . 0 0 "[ ]" 1
627 1 90 GLU QB 1 91 GLY H 3.300 . 4.160 3.957 3.957 3.957 . 0 0 "[ ]" 1
628 1 90 GLU QG 1 91 GLY H 3.300 . 4.180 3.263 3.263 3.263 . 0 0 "[ ]" 1
629 1 90 GLU H 1 91 GLY H 3.300 . 3.300 2.544 2.544 2.544 . 0 0 "[ ]" 1
630 1 91 GLY H 1 92 LEU H 3.300 . 3.300 2.698 2.698 2.698 . 0 0 "[ ]" 1
631 1 92 LEU HA 1 92 LEU QD 2.700 . 5.510 2.020 2.020 2.020 . 0 0 "[ ]" 1
632 1 92 LEU H 2 37 ALA HA 5.000 . 5.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
633 1 92 LEU H 2 38 LYS H 5.000 . 5.000 5.213 5.213 5.213 0.213 1 0 "[ ]" 1
634 1 89 ALA HA 1 92 LEU H 5.000 . 5.000 3.778 3.778 3.778 . 0 0 "[ ]" 1
635 1 89 ALA MB 1 92 LEU H 5.000 . 6.470 5.031 5.031 5.031 . 0 0 "[ ]" 1
636 1 91 GLY QA 1 92 LEU H 3.600 . 4.400 2.422 2.422 2.422 . 0 0 "[ ]" 1
637 1 92 LEU HA 1 93 LYS H 3.600 . 3.600 3.496 3.496 3.496 . 0 0 "[ ]" 1
638 1 92 LEU QB 1 93 LYS H 3.300 . 4.160 2.927 2.927 2.927 . 0 0 "[ ]" 1
639 1 92 LEU QD 1 93 LYS H 3.300 . 6.130 4.220 4.220 4.220 . 0 0 "[ ]" 1
640 1 92 LEU HG 1 93 LYS H 5.000 . 5.000 4.326 4.326 4.326 . 0 0 "[ ]" 1
641 1 92 LEU H 1 93 LYS H 5.000 . 5.000 2.283 2.283 2.283 . 0 0 "[ ]" 1
642 1 93 LYS H 1 93 LYS QB 3.300 . 3.920 2.277 2.277 2.277 . 0 0 "[ ]" 1
643 1 93 LYS H 1 93 LYS QD 5.000 . 5.880 4.434 4.434 4.434 . 0 0 "[ ]" 1
644 1 93 LYS H 1 93 LYS QG 3.300 . 4.170 3.904 3.904 3.904 . 0 0 "[ ]" 1
645 1 93 LYS H 1 96 ASP H 6.000 3.000 6.000 5.095 5.095 5.095 . 0 0 "[ ]" 1
646 1 93 LYS H 1 97 PHE QB 5.000 . 5.880 5.591 5.591 5.591 . 0 0 "[ ]" 1
647 1 94 TYR HA 2 75 VAL MG2 3.300 . 4.830 5.000 5.000 5.000 0.170 1 0 "[ ]" 1
648 1 94 TYR HA 2 75 VAL MG1 5.000 . 6.530 5.666 5.666 5.666 . 0 0 "[ ]" 1
649 1 94 TYR QD 2 54 ALA MB 5.000 . 6.530 1.985 1.985 1.985 . 0 0 "[ ]" 1
650 1 94 TYR HA 1 94 TYR QD 3.300 . 3.300 2.455 2.455 2.455 . 0 0 "[ ]" 1
651 1 94 TYR QD 1 95 GLU HA 5.000 . 5.000 2.948 2.948 2.948 . 0 0 "[ ]" 1
652 1 92 LEU H 1 94 TYR QD 5.000 . 5.000 4.777 4.777 4.777 . 0 0 "[ ]" 1
653 1 93 LYS H 1 94 TYR QD 5.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
654 1 94 TYR QD 1 95 GLU QG 5.000 . 5.880 1.813 1.813 1.813 . 0 0 "[ ]" 1
655 1 94 TYR QD 1 95 GLU H 3.300 . 3.300 2.857 2.857 2.857 . 0 0 "[ ]" 1
656 1 94 TYR QE 2 54 ALA HA 6.000 3.000 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
657 1 94 TYR QE 2 54 ALA MB 3.300 . 4.830 2.515 2.515 2.515 . 0 0 "[ ]" 1
658 1 94 TYR QE 2 57 ALA HA 5.000 . 6.500 5.527 5.527 5.527 . 0 0 "[ ]" 1
659 1 94 TYR QE 2 72 ALA HA 5.000 . 6.500 4.843 4.843 4.843 . 0 0 "[ ]" 1
660 1 94 TYR HA 1 94 TYR QE 5.000 . 6.500 3.983 3.983 3.983 . 0 0 "[ ]" 1
661 1 94 TYR QE 1 95 GLU HA 5.000 . 5.000 2.083 2.083 2.083 . 0 0 "[ ]" 1
662 1 94 TYR QE 1 95 GLU QB 5.000 . 5.880 3.494 3.494 3.494 . 0 0 "[ ]" 1
663 1 94 TYR QE 1 95 GLU QG 5.000 . 5.880 2.569 2.569 2.569 . 0 0 "[ ]" 1
664 1 94 TYR QE 1 98 ALA HA 6.000 3.000 6.000 6.209 6.209 6.209 0.209 1 0 "[ ]" 1
665 1 94 TYR QE 1 98 ALA MB 6.000 3.000 7.530 4.660 4.660 4.660 . 0 0 "[ ]" 1
666 1 93 LYS HA 1 94 TYR H 3.600 . 3.600 3.525 3.525 3.525 . 0 0 "[ ]" 1
667 1 93 LYS QG 1 94 TYR H 3.300 . 4.170 3.545 3.545 3.545 . 0 0 "[ ]" 1
668 1 93 LYS H 1 94 TYR H 3.300 . 3.300 1.850 1.850 1.850 . 0 0 "[ ]" 1
669 1 94 TYR H 1 94 TYR QD 5.000 . 5.000 4.016 4.016 4.016 . 0 0 "[ ]" 1
670 1 94 TYR H 1 96 ASP H 5.000 . 5.000 5.053 5.053 5.053 0.053 1 0 "[ ]" 1
671 1 95 GLU HA 1 95 GLU QG 3.300 . 3.950 2.503 2.503 2.503 . 0 0 "[ ]" 1
672 1 95 GLU HA 1 98 ALA MB 5.000 . 6.530 3.973 3.973 3.973 . 0 0 "[ ]" 1
673 1 93 LYS H 1 95 GLU H 5.000 . 5.000 3.455 3.455 3.455 . 0 0 "[ ]" 1
674 1 94 TYR HA 1 95 GLU H 3.600 . 3.600 3.520 3.520 3.520 . 0 0 "[ ]" 1
675 1 94 TYR H 1 95 GLU H 3.300 . 3.300 2.946 2.946 2.946 . 0 0 "[ ]" 1
676 1 95 GLU H 1 95 GLU QB 3.300 . 3.920 2.617 2.617 2.617 . 0 0 "[ ]" 1
677 1 95 GLU H 1 95 GLU QG 3.300 . 4.170 1.950 1.950 1.950 . 0 0 "[ ]" 1
678 1 95 GLU H 1 96 ASP H 3.300 . 3.300 2.772 2.772 2.772 . 0 0 "[ ]" 1
679 1 95 GLU H 1 97 PHE H 5.000 . 5.000 4.015 4.015 4.015 . 0 0 "[ ]" 1
680 1 95 GLU HA 1 96 ASP H 3.600 . 3.600 3.555 3.555 3.555 . 0 0 "[ ]" 1
681 1 95 GLU QB 1 96 ASP H 3.300 . 4.180 2.119 2.119 2.119 . 0 0 "[ ]" 1
682 1 95 GLU QG 1 96 ASP H 3.300 . 4.180 3.700 3.700 3.700 . 0 0 "[ ]" 1
683 1 96 ASP H 1 96 ASP QB 3.300 . 3.920 2.148 2.148 2.148 . 0 0 "[ ]" 1
684 1 97 PHE QB 2 54 ALA MB 5.000 . 7.410 2.699 2.699 2.699 . 0 0 "[ ]" 1
685 1 97 PHE QD 2 71 ILE MD 6.000 3.000 7.530 5.655 5.655 5.655 . 0 0 "[ ]" 1
686 1 94 TYR HA 1 97 PHE QD 5.000 . 5.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
687 1 96 ASP HA 1 97 PHE QD 5.000 . 5.000 3.890 3.890 3.890 . 0 0 "[ ]" 1
688 1 96 ASP QB 1 97 PHE QD 5.000 . 5.880 4.368 4.368 4.368 . 0 0 "[ ]" 1
689 1 97 PHE HA 1 97 PHE QD 3.300 . 3.300 3.592 3.592 3.592 0.292 1 0 "[ ]" 1
690 1 96 ASP HA 1 97 PHE QE 5.000 . 5.000 4.275 4.275 4.275 . 0 0 "[ ]" 1
691 1 94 TYR HA 1 97 PHE H 5.000 . 5.000 5.035 5.035 5.035 0.035 1 0 "[ ]" 1
692 1 95 GLU HA 1 97 PHE H 5.000 . 5.000 4.598 4.598 4.598 . 0 0 "[ ]" 1
693 1 96 ASP HA 1 97 PHE H 3.600 . 3.600 3.286 3.286 3.286 . 0 0 "[ ]" 1
694 1 96 ASP QB 1 97 PHE H 5.000 . 5.860 3.151 3.151 3.151 . 0 0 "[ ]" 1
695 1 96 ASP H 1 97 PHE H 3.300 . 3.300 2.469 2.469 2.469 . 0 0 "[ ]" 1
696 1 97 PHE H 1 97 PHE QB 3.300 . 3.920 2.021 2.021 2.021 . 0 0 "[ ]" 1
697 1 97 PHE H 1 98 ALA MB 5.000 . 6.530 4.159 4.159 4.159 . 0 0 "[ ]" 1
698 1 97 PHE H 1 98 ALA H 3.300 . 3.300 2.664 2.664 2.664 . 0 0 "[ ]" 1
699 1 98 ALA HA 2 54 ALA MB 3.300 . 4.830 4.548 4.548 4.548 . 0 0 "[ ]" 1
700 1 98 ALA MB 2 54 ALA MB 3.300 . 6.360 4.339 4.339 4.339 . 0 0 "[ ]" 1
701 1 95 GLU HA 1 98 ALA H 5.000 . 5.000 4.546 4.546 4.546 . 0 0 "[ ]" 1
702 1 97 PHE HA 1 98 ALA H 3.600 . 3.600 3.499 3.499 3.499 . 0 0 "[ ]" 1
703 1 98 ALA H 1 98 ALA MB 2.700 . 3.890 2.065 2.065 2.065 . 0 0 "[ ]" 1
704 1 99 LYS H 2 54 ALA MB 6.000 3.000 7.530 6.371 6.371 6.371 . 0 0 "[ ]" 1
705 1 96 ASP HA 1 99 LYS H 5.000 . 5.000 3.637 3.637 3.637 . 0 0 "[ ]" 1
706 1 98 ALA HA 1 99 LYS H 3.600 . 3.600 3.467 3.467 3.467 . 0 0 "[ ]" 1
707 1 98 ALA MB 1 99 LYS H 3.300 . 4.770 2.820 2.820 2.820 . 0 0 "[ ]" 1
708 1 98 ALA H 1 99 LYS H 3.300 . 3.300 2.776 2.776 2.776 . 0 0 "[ ]" 1
709 1 99 LYS H 1 99 LYS QD 5.000 . 5.880 4.731 4.731 4.731 . 0 0 "[ ]" 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 705
_Distance_constraint_stats_list.Viol_count 50
_Distance_constraint_stats_list.Viol_total 19.399
_Distance_constraint_stats_list.Viol_max 3.780
_Distance_constraint_stats_list.Viol_rms 0.2291
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0275
_Distance_constraint_stats_list.Viol_average_violations_only 0.3880
_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 10 ILE 0.145 0.145 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 28 PHE 3.780 3.780 1 1 [+]
1 33 THR 0.000 0.000 . 0 "[ ]"
1 37 ALA 0.000 0.000 . 0 "[ ]"
1 38 LYS 0.404 0.404 1 0 "[ ]"
1 47 PHE 0.000 0.000 . 0 "[ ]"
1 54 ALA 0.003 0.003 1 0 "[ ]"
1 57 ALA 0.000 0.000 . 0 "[ ]"
1 71 ILE 0.000 0.000 . 0 "[ ]"
1 72 ALA 0.000 0.000 . 0 "[ ]"
1 75 VAL 0.000 0.000 . 0 "[ ]"
1 76 GLY 0.000 0.000 . 0 "[ ]"
1 80 LYS 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.000 0.000 . 0 "[ ]"
1 89 ALA 0.000 0.000 . 0 "[ ]"
1 92 LEU 0.038 0.038 1 0 "[ ]"
1 94 TYR 0.000 0.000 . 0 "[ ]"
1 97 PHE 0.000 0.000 . 0 "[ ]"
1 98 ALA 0.000 0.000 . 0 "[ ]"
2 4 THR 0.000 0.000 . 0 "[ ]"
2 5 GLU 0.013 0.013 1 0 "[ ]"
2 6 LEU 0.617 0.308 1 0 "[ ]"
2 7 ILE 0.294 0.294 1 0 "[ ]"
2 8 LYS 0.000 0.000 . 0 "[ ]"
2 9 ALA 0.000 0.000 . 0 "[ ]"
2 10 ILE 0.000 0.000 . 0 "[ ]"
2 11 ALA 4.005 3.691 1 1 [+]
2 12 GLN 0.000 0.000 . 0 "[ ]"
2 13 ASP 0.000 0.000 . 0 "[ ]"
2 14 THR 0.000 0.000 . 0 "[ ]"
2 15 GLU 0.107 0.107 1 0 "[ ]"
2 16 LEU 0.163 0.163 1 0 "[ ]"
2 17 THR 0.000 0.000 . 0 "[ ]"
2 19 VAL 0.000 0.000 . 0 "[ ]"
2 20 SER 0.000 0.000 . 0 "[ ]"
2 21 VAL 0.000 0.000 . 0 "[ ]"
2 22 SER 0.401 0.294 1 0 "[ ]"
2 23 LYS 0.000 0.000 . 0 "[ ]"
2 24 MET 0.000 0.000 . 0 "[ ]"
2 25 LEU 3.691 3.691 1 1 [+]
2 26 ALA 0.000 0.000 . 0 "[ ]"
2 27 SER 0.151 0.145 1 0 "[ ]"
2 28 PHE 0.000 0.000 . 0 "[ ]"
2 29 GLU 0.000 0.000 . 0 "[ ]"
2 30 LYS 0.000 0.000 . 0 "[ ]"
2 31 ILE 0.057 0.057 1 0 "[ ]"
2 32 THR 2.878 2.485 1 1 [+]
2 33 THR 0.235 0.235 1 0 "[ ]"
2 34 GLU 0.057 0.057 1 0 "[ ]"
2 35 THR 0.714 0.393 1 0 "[ ]"
2 36 VAL 0.539 0.235 1 0 "[ ]"
2 37 ALA 0.072 0.057 1 0 "[ ]"
2 38 LYS 0.123 0.085 1 0 "[ ]"
2 39 GLY 0.204 0.204 1 0 "[ ]"
2 40 ASP 0.057 0.057 1 0 "[ ]"
2 41 LYS 0.024 0.024 1 0 "[ ]"
2 42 VAL 0.000 0.000 . 0 "[ ]"
2 43 GLN 0.140 0.140 1 0 "[ ]"
2 44 LEU 3.942 3.780 1 1 [+]
2 45 THR 0.000 0.000 . 0 "[ ]"
2 47 PHE 3.157 2.485 1 1 [+]
2 48 LEU 0.000 0.000 . 0 "[ ]"
2 49 ASN 0.000 0.000 . 0 "[ ]"
2 50 ILE 0.140 0.140 1 0 "[ ]"
2 51 LYS 0.069 0.045 1 0 "[ ]"
2 52 PRO 0.000 0.000 . 0 "[ ]"
2 53 VAL 0.262 0.262 1 0 "[ ]"
2 54 ALA 0.520 0.520 1 1 [+]
2 55 ARG 0.716 0.590 1 1 [+]
2 56 GLN 0.369 0.369 1 0 "[ ]"
2 57 ALA 0.000 0.000 . 0 "[ ]"
2 58 ARG 0.076 0.076 1 0 "[ ]"
2 59 LYS 0.000 0.000 . 0 "[ ]"
2 60 GLY 0.000 0.000 . 0 "[ ]"
2 61 PHE 1.684 0.654 1 1 [+]
2 62 ASN 0.285 0.252 1 0 "[ ]"
2 63 PRO 0.000 0.000 . 0 "[ ]"
2 64 GLN 0.447 0.430 1 0 "[ ]"
2 65 THR 0.436 0.310 1 0 "[ ]"
2 66 GLN 0.484 0.430 1 0 "[ ]"
2 67 GLU 0.252 0.236 1 0 "[ ]"
2 68 ALA 0.948 0.654 1 1 [+]
2 69 LEU 0.310 0.310 1 0 "[ ]"
2 70 GLU 0.000 0.000 . 0 "[ ]"
2 71 ILE 0.076 0.076 1 0 "[ ]"
2 72 ALA 0.000 0.000 . 0 "[ ]"
2 73 PRO 0.000 0.000 . 0 "[ ]"
2 74 SER 1.015 0.520 1 1 [+]
2 75 VAL 0.590 0.590 1 1 [+]
2 76 GLY 0.262 0.262 1 0 "[ ]"
2 77 VAL 0.000 0.000 . 0 "[ ]"
2 78 SER 0.045 0.045 1 0 "[ ]"
2 79 VAL 0.000 0.000 . 0 "[ ]"
2 80 LYS 0.000 0.000 . 0 "[ ]"
2 81 PRO 0.000 0.000 . 0 "[ ]"
2 82 GLY 0.000 0.000 . 0 "[ ]"
2 83 GLU 0.619 0.619 1 1 [+]
2 84 SER 0.660 0.619 1 1 [+]
2 85 LEU 0.007 0.007 1 0 "[ ]"
2 86 LYS 0.007 0.007 1 0 "[ ]"
2 87 LYS 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.000 0.000 . 0 "[ ]"
2 89 ALA 0.000 0.000 . 0 "[ ]"
2 90 GLU 0.000 0.000 . 0 "[ ]"
2 91 GLY 0.000 0.000 . 0 "[ ]"
2 92 LEU 0.404 0.404 1 0 "[ ]"
2 93 LYS 0.000 0.000 . 0 "[ ]"
2 94 TYR 0.269 0.248 1 0 "[ ]"
2 95 GLU 0.017 0.017 1 0 "[ ]"
2 96 ASP 0.000 0.000 . 0 "[ ]"
2 97 PHE 0.000 0.000 . 0 "[ ]"
2 98 ALA 0.248 0.248 1 0 "[ ]"
2 99 LYS 0.000 0.000 . 0 "[ ]"
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 2 4 THR HA 2 4 THR MG 2.700 . 3.880 2.372 2.372 2.372 . 0 0 "[ ]" 2
2 2 4 THR H 2 4 THR HB 3.300 . 3.300 2.576 2.576 2.576 . 0 0 "[ ]" 2
3 2 4 THR H 2 4 THR MG 3.300 . 4.770 3.774 3.774 3.774 . 0 0 "[ ]" 2
4 2 5 GLU HA 2 5 GLU QG 3.300 . 3.950 2.293 2.293 2.293 . 0 0 "[ ]" 2
5 2 4 THR HA 2 5 GLU H 3.600 . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 2
6 2 4 THR HB 2 5 GLU H 3.300 . 3.300 2.329 2.329 2.329 . 0 0 "[ ]" 2
7 2 4 THR MG 2 5 GLU H 3.300 . 4.770 3.451 3.451 3.451 . 0 0 "[ ]" 2
8 2 4 THR H 2 5 GLU H 3.300 . 3.300 2.605 2.605 2.605 . 0 0 "[ ]" 2
9 2 5 GLU H 2 5 GLU QB 3.300 . 3.920 2.200 2.200 2.200 . 0 0 "[ ]" 2
10 2 5 GLU H 2 5 GLU QG 3.300 . 4.170 3.938 3.938 3.938 . 0 0 "[ ]" 2
11 2 6 LEU HA 2 6 LEU QD 3.300 . 6.110 2.530 2.530 2.530 . 0 0 "[ ]" 2
12 2 6 LEU HA 2 6 LEU HG 3.300 . 3.300 3.446 3.446 3.446 0.146 1 0 "[ ]" 2
13 2 6 LEU HA 2 11 ALA H 5.000 . 5.000 5.150 5.150 5.150 0.150 1 0 "[ ]" 2
14 2 4 THR H 2 6 LEU H 5.000 . 5.000 4.721 4.721 4.721 . 0 0 "[ ]" 2
15 2 5 GLU HA 2 6 LEU H 3.600 . 3.600 3.613 3.613 3.613 0.013 1 0 "[ ]" 2
16 2 5 GLU QB 2 6 LEU H 3.300 . 4.160 2.142 2.142 2.142 . 0 0 "[ ]" 2
17 2 5 GLU QG 2 6 LEU H 5.000 . 5.880 3.128 3.128 3.128 . 0 0 "[ ]" 2
18 2 5 GLU H 2 6 LEU H 3.300 . 3.300 3.197 3.197 3.197 . 0 0 "[ ]" 2
19 2 6 LEU H 2 6 LEU QB 2.700 . 3.320 2.078 2.078 2.078 . 0 0 "[ ]" 2
20 2 6 LEU H 2 6 LEU QD 3.300 . 6.110 3.569 3.569 3.569 . 0 0 "[ ]" 2
21 2 6 LEU H 2 6 LEU HG 3.300 . 3.300 3.608 3.608 3.608 0.308 1 0 "[ ]" 2
22 2 6 LEU H 2 7 ILE H 3.300 . 3.300 2.471 2.471 2.471 . 0 0 "[ ]" 2
23 2 6 LEU H 2 8 LYS H 5.000 . 5.000 4.123 4.123 4.123 . 0 0 "[ ]" 2
24 2 7 ILE HA 2 7 ILE MD 3.300 . 4.830 3.590 3.590 3.590 . 0 0 "[ ]" 2
25 2 7 ILE HA 2 7 ILE QG 3.300 . 4.830 2.055 2.055 2.055 . 0 0 "[ ]" 2
26 2 7 ILE HA 2 7 ILE MG 2.700 . 3.890 3.109 3.109 3.109 . 0 0 "[ ]" 2
27 2 7 ILE HA 2 10 ILE MG 5.000 . 6.530 2.859 2.859 2.859 . 0 0 "[ ]" 2
28 2 7 ILE HA 2 21 VAL MG2 5.000 . 7.810 1.904 1.904 1.904 . 0 0 "[ ]" 2
29 2 7 ILE HB 2 7 ILE MD 2.700 . 4.180 1.998 1.998 1.998 . 0 0 "[ ]" 2
30 2 7 ILE HB 2 22 SER HA 5.000 . 5.000 5.294 5.294 5.294 0.294 1 0 "[ ]" 2
31 2 7 ILE MD 2 22 SER H 5.000 . 6.530 4.105 4.105 4.105 . 0 0 "[ ]" 2
32 2 7 ILE MG 2 22 SER H 5.000 . 6.510 5.339 5.339 5.339 . 0 0 "[ ]" 2
33 2 4 THR HA 2 7 ILE H 5.000 . 5.000 4.349 4.349 4.349 . 0 0 "[ ]" 2
34 2 5 GLU H 2 7 ILE H 5.000 . 5.000 4.453 4.453 4.453 . 0 0 "[ ]" 2
35 2 6 LEU HA 2 7 ILE H 3.600 . 3.600 3.520 3.520 3.520 . 0 0 "[ ]" 2
36 2 6 LEU QB 2 7 ILE H 3.300 . 4.160 3.471 3.471 3.471 . 0 0 "[ ]" 2
37 2 6 LEU QD 2 7 ILE H 3.300 . 6.110 3.828 3.828 3.828 . 0 0 "[ ]" 2
38 2 6 LEU HG 2 7 ILE H 5.000 . 5.000 3.213 3.213 3.213 . 0 0 "[ ]" 2
39 2 7 ILE H 2 7 ILE HB 3.300 . 3.300 2.218 2.218 2.218 . 0 0 "[ ]" 2
40 2 7 ILE H 2 7 ILE MD 3.300 . 4.830 3.917 3.917 3.917 . 0 0 "[ ]" 2
41 2 7 ILE H 2 7 ILE QG 3.300 . 4.180 3.764 3.764 3.764 . 0 0 "[ ]" 2
42 2 7 ILE H 2 7 ILE MG 3.300 . 4.830 3.039 3.039 3.039 . 0 0 "[ ]" 2
43 2 7 ILE H 2 8 LYS H 3.300 . 3.300 2.554 2.554 2.554 . 0 0 "[ ]" 2
44 2 7 ILE H 2 9 ALA H 5.000 . 5.000 4.219 4.219 4.219 . 0 0 "[ ]" 2
45 2 8 LYS HA 2 12 GLN QG 5.000 . 5.880 4.458 4.458 4.458 . 0 0 "[ ]" 2
46 2 7 ILE HA 2 8 LYS H 3.600 . 3.600 3.554 3.554 3.554 . 0 0 "[ ]" 2
47 2 7 ILE HB 2 8 LYS H 4.700 . 4.700 3.477 3.477 3.477 . 0 0 "[ ]" 2
48 2 7 ILE QG 2 8 LYS H 5.000 . 6.530 4.391 4.391 4.391 . 0 0 "[ ]" 2
49 2 7 ILE MG 2 8 LYS H 3.300 . 4.830 2.365 2.365 2.365 . 0 0 "[ ]" 2
50 2 8 LYS H 2 8 LYS QB 3.300 . 3.920 2.243 2.243 2.243 . 0 0 "[ ]" 2
51 2 8 LYS H 2 8 LYS QD 5.000 . 5.880 4.493 4.493 4.493 . 0 0 "[ ]" 2
52 2 6 LEU QD 2 9 ALA HA 5.000 . 7.830 5.385 5.385 5.385 . 0 0 "[ ]" 2
53 2 9 ALA HA 2 10 ILE MG 5.000 . 6.530 5.370 5.370 5.370 . 0 0 "[ ]" 2
54 2 6 LEU HA 2 9 ALA H 5.000 . 5.000 3.021 3.021 3.021 . 0 0 "[ ]" 2
55 2 8 LYS QB 2 9 ALA H 3.300 . 4.160 1.989 1.989 1.989 . 0 0 "[ ]" 2
56 2 8 LYS QD 2 9 ALA H 3.300 . 4.180 3.374 3.374 3.374 . 0 0 "[ ]" 2
57 2 8 LYS H 2 9 ALA H 3.300 . 3.300 2.843 2.843 2.843 . 0 0 "[ ]" 2
58 2 9 ALA H 2 9 ALA MB 2.700 . 3.890 2.268 2.268 2.268 . 0 0 "[ ]" 2
59 2 10 ILE HA 2 10 ILE MD 3.300 . 4.830 1.924 1.924 1.924 . 0 0 "[ ]" 2
60 2 10 ILE HA 2 10 ILE QG 3.300 . 3.950 2.579 2.579 2.579 . 0 0 "[ ]" 2
61 2 10 ILE HA 2 10 ILE MG 3.300 . 4.490 3.217 3.217 3.217 . 0 0 "[ ]" 2
62 2 10 ILE HB 2 10 ILE MD 2.700 . 4.180 2.241 2.241 2.241 . 0 0 "[ ]" 2
63 2 8 LYS H 2 10 ILE H 5.000 . 5.000 4.810 4.810 4.810 . 0 0 "[ ]" 2
64 2 9 ALA HA 2 10 ILE H 3.600 . 3.600 3.534 3.534 3.534 . 0 0 "[ ]" 2
65 2 9 ALA MB 2 10 ILE H 3.300 . 4.770 1.958 1.958 1.958 . 0 0 "[ ]" 2
66 2 9 ALA H 2 10 ILE H 3.300 . 3.300 3.262 3.262 3.262 . 0 0 "[ ]" 2
67 2 10 ILE H 2 10 ILE MD 3.300 . 4.830 3.672 3.672 3.672 . 0 0 "[ ]" 2
68 2 10 ILE H 2 10 ILE MG 3.300 . 4.780 2.601 2.601 2.601 . 0 0 "[ ]" 2
69 2 10 ILE H 2 11 ALA H 3.300 . 3.300 2.787 2.787 2.787 . 0 0 "[ ]" 2
70 2 10 ILE H 2 12 GLN H 5.000 . 5.000 4.210 4.210 4.210 . 0 0 "[ ]" 2
71 2 10 ILE H 2 25 LEU QD 5.000 . 7.810 7.560 7.560 7.560 . 0 0 "[ ]" 2
72 2 11 ALA HA 2 16 LEU H 3.300 . 3.300 3.463 3.463 3.463 0.163 1 0 "[ ]" 2
73 2 11 ALA HA 2 21 VAL H 5.000 . 5.000 4.923 4.923 4.923 . 0 0 "[ ]" 2
74 2 11 ALA MB 2 15 GLU QB 3.300 . 5.710 2.345 2.345 2.345 . 0 0 "[ ]" 2
75 2 11 ALA MB 2 15 GLU QG 3.300 . 5.710 3.966 3.966 3.966 . 0 0 "[ ]" 2
76 2 11 ALA MB 2 16 LEU H 3.300 . 4.830 4.090 4.090 4.090 . 0 0 "[ ]" 2
77 2 11 ALA MB 2 17 THR H 3.300 . 4.830 3.856 3.856 3.856 . 0 0 "[ ]" 2
78 2 11 ALA MB 2 21 VAL H 3.300 . 4.830 3.963 3.963 3.963 . 0 0 "[ ]" 2
79 2 8 LYS HA 2 11 ALA H 5.000 . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 2
80 2 9 ALA H 2 11 ALA H 5.000 . 5.000 4.236 4.236 4.236 . 0 0 "[ ]" 2
81 2 10 ILE HA 2 11 ALA H 3.600 . 3.600 3.489 3.489 3.489 . 0 0 "[ ]" 2
82 2 10 ILE HB 2 11 ALA H 4.700 . 4.700 4.081 4.081 4.081 . 0 0 "[ ]" 2
83 2 10 ILE MD 2 11 ALA H 5.000 . 6.530 4.763 4.763 4.763 . 0 0 "[ ]" 2
84 2 10 ILE QG 2 11 ALA H 5.000 . 5.880 4.174 4.174 4.174 . 0 0 "[ ]" 2
85 2 11 ALA H 2 11 ALA MB 2.700 . 3.890 2.360 2.360 2.360 . 0 0 "[ ]" 2
86 2 11 ALA H 2 12 GLN H 3.300 . 3.300 2.578 2.578 2.578 . 0 0 "[ ]" 2
87 2 11 ALA H 2 13 ASP H 5.000 . 5.000 4.411 4.411 4.411 . 0 0 "[ ]" 2
88 2 11 ALA MB 2 12 GLN HA 3.300 . 4.830 4.065 4.065 4.065 . 0 0 "[ ]" 2
89 2 12 GLN HA 2 12 GLN QG 3.300 . 3.950 2.341 2.341 2.341 . 0 0 "[ ]" 2
90 2 12 GLN HA 2 13 ASP QB 5.000 . 5.880 5.214 5.214 5.214 . 0 0 "[ ]" 2
91 2 9 ALA HA 2 12 GLN H 5.000 . 5.000 3.908 3.908 3.908 . 0 0 "[ ]" 2
92 2 9 ALA MB 2 12 GLN H 5.000 . 6.530 4.630 4.630 4.630 . 0 0 "[ ]" 2
93 2 11 ALA HA 2 12 GLN H 3.600 . 3.600 3.438 3.438 3.438 . 0 0 "[ ]" 2
94 2 11 ALA MB 2 12 GLN H 2.700 . 4.230 2.955 2.955 2.955 . 0 0 "[ ]" 2
95 2 12 GLN H 2 12 GLN QB 3.300 . 3.920 2.526 2.526 2.526 . 0 0 "[ ]" 2
96 2 12 GLN H 2 12 GLN QG 3.300 . 4.170 1.988 1.988 1.988 . 0 0 "[ ]" 2
97 2 12 GLN H 2 13 ASP H 3.300 . 3.300 2.895 2.895 2.895 . 0 0 "[ ]" 2
98 2 10 ILE MD 2 13 ASP QB 3.300 . 5.710 3.369 3.369 3.369 . 0 0 "[ ]" 2
99 2 10 ILE QG 2 13 ASP QB 5.000 . 7.410 3.978 3.978 3.978 . 0 0 "[ ]" 2
100 2 10 ILE MD 2 13 ASP H 5.000 . 6.530 4.205 4.205 4.205 . 0 0 "[ ]" 2
101 2 10 ILE QG 2 13 ASP H 5.000 . 5.880 4.120 4.120 4.120 . 0 0 "[ ]" 2
102 2 12 GLN HA 2 13 ASP H 3.600 . 3.600 3.560 3.560 3.560 . 0 0 "[ ]" 2
103 2 12 GLN QB 2 13 ASP H 3.300 . 4.160 2.638 2.638 2.638 . 0 0 "[ ]" 2
104 2 12 GLN QG 2 13 ASP H 5.000 . 5.880 4.053 4.053 4.053 . 0 0 "[ ]" 2
105 2 13 ASP H 2 13 ASP QB 2.700 . 3.320 2.264 2.264 2.264 . 0 0 "[ ]" 2
106 2 14 THR HA 2 14 THR MG 2.700 . 3.880 2.034 2.034 2.034 . 0 0 "[ ]" 2
107 2 14 THR MG 2 20 SER HA 5.000 . 6.530 5.401 5.401 5.401 . 0 0 "[ ]" 2
108 2 14 THR MG 2 20 SER QB 5.000 . 7.620 4.426 4.426 4.426 . 0 0 "[ ]" 2
109 2 11 ALA HA 2 14 THR H 5.000 . 5.000 4.577 4.577 4.577 . 0 0 "[ ]" 2
110 2 14 THR H 2 14 THR HB 3.300 . 3.300 2.987 2.987 2.987 . 0 0 "[ ]" 2
111 2 14 THR H 2 14 THR MG 3.300 . 4.830 3.789 3.789 3.789 . 0 0 "[ ]" 2
112 2 11 ALA MB 2 15 GLU HA 3.300 . 4.830 4.017 4.017 4.017 . 0 0 "[ ]" 2
113 2 15 GLU HA 2 15 GLU QG 3.300 . 3.950 3.109 3.109 3.109 . 0 0 "[ ]" 2
114 2 15 GLU HA 2 21 VAL MG1 5.000 . 6.530 4.431 4.431 4.431 . 0 0 "[ ]" 2
115 2 15 GLU HA 2 21 VAL MG2 3.300 . 4.830 3.974 3.974 3.974 . 0 0 "[ ]" 2
116 2 15 GLU HA 2 21 VAL H 3.300 . 3.300 2.488 2.488 2.488 . 0 0 "[ ]" 2
117 2 14 THR HA 2 15 GLU H 3.600 . 3.600 2.826 2.826 2.826 . 0 0 "[ ]" 2
118 2 14 THR HB 2 15 GLU H 4.700 . 4.700 2.406 2.406 2.406 . 0 0 "[ ]" 2
119 2 14 THR HG1 2 15 GLU H 5.000 . 6.530 4.388 4.388 4.388 . 0 0 "[ ]" 2
120 2 15 GLU H 2 15 GLU QB 3.300 . 3.920 3.120 3.120 3.120 . 0 0 "[ ]" 2
121 2 16 LEU HA 2 16 LEU MD1 3.300 . 4.830 3.760 3.760 3.760 . 0 0 "[ ]" 2
122 2 16 LEU HA 2 16 LEU MD2 3.300 . 4.830 1.968 1.968 1.968 . 0 0 "[ ]" 2
123 2 16 LEU HA 2 16 LEU HG 3.300 . 3.300 2.563 2.563 2.563 . 0 0 "[ ]" 2
124 2 16 LEU H 2 16 LEU QB 3.300 . 3.920 2.506 2.506 2.506 . 0 0 "[ ]" 2
125 2 16 LEU H 2 16 LEU MD1 3.300 . 4.830 3.353 3.353 3.353 . 0 0 "[ ]" 2
126 2 16 LEU H 2 16 LEU MD2 2.700 . 4.230 3.514 3.514 3.514 . 0 0 "[ ]" 2
127 2 16 LEU H 2 16 LEU HG 3.300 . 3.300 2.122 2.122 2.122 . 0 0 "[ ]" 2
128 2 19 VAL HA 2 19 VAL QG 2.700 . 5.510 2.259 2.259 2.259 . 0 0 "[ ]" 2
129 2 19 VAL HA 2 20 SER H 3.600 . 3.600 3.589 3.589 3.589 . 0 0 "[ ]" 2
130 2 19 VAL HB 2 20 SER H 4.700 . 4.700 3.883 3.883 3.883 . 0 0 "[ ]" 2
131 2 19 VAL QG 2 20 SER H 2.700 . 5.530 1.879 1.879 1.879 . 0 0 "[ ]" 2
132 2 21 VAL HA 2 21 VAL QG 2.700 . 5.510 2.191 2.191 2.191 . 0 0 "[ ]" 2
133 2 20 SER H 2 21 VAL H 3.300 . 3.300 2.913 2.913 2.913 . 0 0 "[ ]" 2
134 2 21 VAL H 2 21 VAL HB 3.300 . 3.300 2.214 2.214 2.214 . 0 0 "[ ]" 2
135 2 21 VAL H 2 21 VAL MG1 3.300 . 4.830 2.530 2.530 2.530 . 0 0 "[ ]" 2
136 2 21 VAL H 2 21 VAL MG2 2.700 . 4.230 3.632 3.632 3.632 . 0 0 "[ ]" 2
137 2 7 ILE QG 2 22 SER H 3.300 . 4.180 3.725 3.725 3.725 . 0 0 "[ ]" 2
138 2 15 GLU HA 2 22 SER H 5.000 . 5.000 5.107 5.107 5.107 0.107 1 0 "[ ]" 2
139 2 15 GLU QB 2 22 SER H 5.000 . 5.880 4.827 4.827 4.827 . 0 0 "[ ]" 2
140 2 20 SER H 2 22 SER H 5.000 . 5.000 4.390 4.390 4.390 . 0 0 "[ ]" 2
141 2 21 VAL HA 2 22 SER H 3.600 . 3.600 3.529 3.529 3.529 . 0 0 "[ ]" 2
142 2 21 VAL HB 2 22 SER H 4.700 . 4.700 3.699 3.699 3.699 . 0 0 "[ ]" 2
143 2 21 VAL QG 2 22 SER H 5.000 . 7.810 1.928 1.928 1.928 . 0 0 "[ ]" 2
144 2 21 VAL H 2 22 SER H 3.300 . 3.300 3.021 3.021 3.021 . 0 0 "[ ]" 2
145 2 22 SER H 2 22 SER QB 2.700 . 3.320 2.183 2.183 2.183 . 0 0 "[ ]" 2
146 2 22 SER H 2 23 LYS H 3.300 . 3.300 2.773 2.773 2.773 . 0 0 "[ ]" 2
147 2 22 SER H 2 24 MET H 5.000 . 5.000 4.241 4.241 4.241 . 0 0 "[ ]" 2
148 2 23 LYS HA 2 23 LYS QD 3.300 . 4.150 3.880 3.880 3.880 . 0 0 "[ ]" 2
149 2 23 LYS HA 2 23 LYS QG 3.300 . 3.950 2.387 2.387 2.387 . 0 0 "[ ]" 2
150 2 23 LYS H 2 23 LYS QB 3.300 . 3.920 2.499 2.499 2.499 . 0 0 "[ ]" 2
151 2 23 LYS H 2 23 LYS QD 3.300 . 4.180 3.871 3.871 3.871 . 0 0 "[ ]" 2
152 2 23 LYS H 2 23 LYS QG 3.300 . 4.170 2.155 2.155 2.155 . 0 0 "[ ]" 2
153 1 14 THR HG1 2 23 LYS H 5.000 . 6.590 4.124 4.124 4.124 . 0 0 "[ ]" 2
154 2 21 VAL HA 2 24 MET H 5.000 . 5.000 3.417 3.417 3.417 . 0 0 "[ ]" 2
155 2 23 LYS HA 2 24 MET H 3.600 . 3.600 3.538 3.538 3.538 . 0 0 "[ ]" 2
156 2 23 LYS QD 2 24 MET H 5.000 . 5.880 4.331 4.331 4.331 . 0 0 "[ ]" 2
157 2 23 LYS QE 2 24 MET H 6.000 3.000 6.880 5.713 5.713 5.713 . 0 0 "[ ]" 2
158 2 23 LYS QG 2 24 MET H 5.000 . 5.880 3.873 3.873 3.873 . 0 0 "[ ]" 2
159 2 23 LYS H 2 24 MET H 3.300 . 3.300 2.758 2.758 2.758 . 0 0 "[ ]" 2
160 2 24 MET H 2 24 MET QB 3.300 . 3.920 2.088 2.088 2.088 . 0 0 "[ ]" 2
161 2 24 MET H 2 26 ALA H 5.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 2
162 2 25 LEU HA 2 25 LEU QD 2.700 . 5.510 3.032 3.032 3.032 . 0 0 "[ ]" 2
163 2 11 ALA HA 2 25 LEU H 5.000 . 5.000 8.691 8.691 8.691 3.691 1 1 [+] 2
164 2 22 SER HA 2 25 LEU H 5.000 . 5.000 3.628 3.628 3.628 . 0 0 "[ ]" 2
165 2 22 SER QB 2 25 LEU H 5.000 . 5.880 5.237 5.237 5.237 . 0 0 "[ ]" 2
166 2 24 MET HA 2 25 LEU H 3.600 . 3.600 3.567 3.567 3.567 . 0 0 "[ ]" 2
167 2 24 MET QB 2 25 LEU H 5.000 . 5.880 2.336 2.336 2.336 . 0 0 "[ ]" 2
168 2 24 MET H 2 25 LEU H 3.300 . 3.300 3.036 3.036 3.036 . 0 0 "[ ]" 2
169 2 25 LEU H 2 25 LEU QB 2.700 . 3.320 2.250 2.250 2.250 . 0 0 "[ ]" 2
170 2 25 LEU H 2 25 LEU QD 3.300 . 6.110 3.745 3.745 3.745 . 0 0 "[ ]" 2
171 2 25 LEU H 2 25 LEU HG 5.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 2
172 2 25 LEU H 2 26 ALA H 3.300 . 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
173 2 25 LEU H 2 27 SER H 5.000 . 5.000 3.822 3.822 3.822 . 0 0 "[ ]" 2
174 2 25 LEU MD1 2 26 ALA HA 5.000 . 6.530 5.314 5.314 5.314 . 0 0 "[ ]" 2
175 2 25 LEU MD2 2 26 ALA HA 3.300 . 4.830 2.630 2.630 2.630 . 0 0 "[ ]" 2
176 2 23 LYS HA 2 26 ALA H 5.000 . 5.000 3.960 3.960 3.960 . 0 0 "[ ]" 2
177 2 25 LEU QB 2 26 ALA H 3.300 . 4.180 2.143 2.143 2.143 . 0 0 "[ ]" 2
178 2 25 LEU QD 2 26 ALA H 3.300 . 6.110 2.750 2.750 2.750 . 0 0 "[ ]" 2
179 2 26 ALA H 2 26 ALA MB 2.700 . 3.890 2.242 2.242 2.242 . 0 0 "[ ]" 2
180 2 26 ALA H 2 27 SER H 3.300 . 3.300 2.756 2.756 2.756 . 0 0 "[ ]" 2
181 1 10 ILE MG 2 27 SER H 6.000 3.000 7.530 7.675 7.675 7.675 0.145 1 0 "[ ]" 2
182 2 26 ALA HA 2 27 SER H 3.600 . 3.600 3.414 3.414 3.414 . 0 0 "[ ]" 2
183 2 26 ALA MB 2 27 SER H 3.300 . 4.830 3.145 3.145 3.145 . 0 0 "[ ]" 2
184 2 27 SER H 2 27 SER HB3 3.300 . 3.300 2.598 2.598 2.598 . 0 0 "[ ]" 2
185 2 27 SER H 2 27 SER HB2 2.700 . 2.700 2.706 2.706 2.706 0.006 1 0 "[ ]" 2
186 1 10 ILE MG 2 28 PHE QB 5.000 . 7.410 6.132 6.132 6.132 . 0 0 "[ ]" 2
187 1 10 ILE MD 2 28 PHE QD 5.000 . 6.530 3.393 3.393 3.393 . 0 0 "[ ]" 2
188 1 47 PHE HZ 2 28 PHE QD 5.000 . 6.500 3.713 3.713 3.713 . 0 0 "[ ]" 2
189 2 28 PHE HA 2 28 PHE QD 3.300 . 3.300 2.908 2.908 2.908 . 0 0 "[ ]" 2
190 2 28 PHE QD 2 32 THR HA 6.000 3.000 6.000 5.810 5.810 5.810 . 0 0 "[ ]" 2
191 1 10 ILE MD 2 28 PHE QE 5.000 . 6.510 5.093 5.093 5.093 . 0 0 "[ ]" 2
192 1 47 PHE HZ 2 28 PHE QE 5.000 . 6.500 5.550 5.550 5.550 . 0 0 "[ ]" 2
193 2 28 PHE HA 2 28 PHE QE 5.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 2
194 2 28 PHE QE 2 32 THR HA 6.000 3.000 6.000 5.186 5.186 5.186 . 0 0 "[ ]" 2
195 1 10 ILE QG 2 28 PHE H 5.000 . 5.880 5.481 5.481 5.481 . 0 0 "[ ]" 2
196 2 25 LEU HA 2 28 PHE H 5.000 . 5.000 3.640 3.640 3.640 . 0 0 "[ ]" 2
197 2 26 ALA H 2 28 PHE H 5.000 . 5.000 4.377 4.377 4.377 . 0 0 "[ ]" 2
198 2 27 SER HA 2 28 PHE H 3.600 . 3.600 3.489 3.489 3.489 . 0 0 "[ ]" 2
199 2 27 SER QB 2 28 PHE H 5.000 . 5.860 3.011 3.011 3.011 . 0 0 "[ ]" 2
200 2 27 SER H 2 28 PHE H 3.300 . 3.300 2.229 2.229 2.229 . 0 0 "[ ]" 2
201 2 28 PHE H 2 28 PHE QB 3.300 . 3.920 2.434 2.434 2.434 . 0 0 "[ ]" 2
202 2 28 PHE H 2 28 PHE QD 5.000 . 5.000 4.302 4.302 4.302 . 0 0 "[ ]" 2
203 2 28 PHE H 2 29 GLU H 3.300 . 3.300 2.293 2.293 2.293 . 0 0 "[ ]" 2
204 2 28 PHE H 2 30 LYS H 5.000 . 5.000 3.691 3.691 3.691 . 0 0 "[ ]" 2
205 2 26 ALA HA 2 29 GLU H 5.000 . 5.000 3.706 3.706 3.706 . 0 0 "[ ]" 2
206 2 28 PHE HA 2 29 GLU H 3.600 . 3.600 3.514 3.514 3.514 . 0 0 "[ ]" 2
207 2 28 PHE QB 2 29 GLU H 5.000 . 5.880 2.824 2.824 2.824 . 0 0 "[ ]" 2
208 2 29 GLU H 2 29 GLU QG 3.300 . 4.170 2.951 2.951 2.951 . 0 0 "[ ]" 2
209 2 29 GLU QB 2 30 LYS H 5.000 . 5.860 2.723 2.723 2.723 . 0 0 "[ ]" 2
210 2 29 GLU QG 2 30 LYS H 5.000 . 5.880 4.358 4.358 4.358 . 0 0 "[ ]" 2
211 2 29 GLU H 2 30 LYS H 3.300 . 3.300 2.566 2.566 2.566 . 0 0 "[ ]" 2
212 2 30 LYS H 2 30 LYS QB 3.300 . 3.920 2.215 2.215 2.215 . 0 0 "[ ]" 2
213 2 30 LYS H 2 30 LYS QD 5.000 . 5.880 3.905 3.905 3.905 . 0 0 "[ ]" 2
214 2 31 ILE HA 2 31 ILE MD 2.700 . 4.230 3.593 3.593 3.593 . 0 0 "[ ]" 2
215 2 31 ILE HA 2 31 ILE QG 3.300 . 3.950 2.085 2.085 2.085 . 0 0 "[ ]" 2
216 2 31 ILE HA 2 31 ILE MG 2.700 . 3.890 3.241 3.241 3.241 . 0 0 "[ ]" 2
217 2 31 ILE HB 2 31 ILE MD 2.700 . 2.700 2.083 2.083 2.083 . 0 0 "[ ]" 2
218 2 28 PHE HA 2 31 ILE H 5.000 . 5.000 2.499 2.499 2.499 . 0 0 "[ ]" 2
219 2 29 GLU H 2 31 ILE H 5.000 . 5.000 3.873 3.873 3.873 . 0 0 "[ ]" 2
220 2 30 LYS HA 2 31 ILE H 3.600 . 3.600 3.530 3.530 3.530 . 0 0 "[ ]" 2
221 2 30 LYS QG 2 31 ILE H 5.000 . 5.880 4.249 4.249 4.249 . 0 0 "[ ]" 2
222 2 30 LYS H 2 31 ILE H 3.300 . 3.300 2.457 2.457 2.457 . 0 0 "[ ]" 2
223 2 31 ILE H 2 31 ILE MD 5.000 . 6.530 4.125 4.125 4.125 . 0 0 "[ ]" 2
224 2 31 ILE H 2 32 THR H 3.300 . 3.300 2.680 2.680 2.680 . 0 0 "[ ]" 2
225 2 32 THR HA 2 32 THR MG 2.700 . 3.880 2.278 2.278 2.278 . 0 0 "[ ]" 2
226 2 31 ILE HA 2 32 THR H 3.600 . 3.600 3.511 3.511 3.511 . 0 0 "[ ]" 2
227 2 31 ILE HB 2 32 THR H 5.000 . 5.000 3.450 3.450 3.450 . 0 0 "[ ]" 2
228 2 31 ILE QG 2 32 THR H 5.000 . 5.870 3.993 3.993 3.993 . 0 0 "[ ]" 2
229 2 32 THR H 2 32 THR HG1 2.700 . 3.880 2.023 2.023 2.023 . 0 0 "[ ]" 2
230 2 32 THR H 2 33 THR H 3.300 . 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 2
231 2 32 THR MG 2 33 THR HA 5.000 . 6.530 5.174 5.174 5.174 . 0 0 "[ ]" 2
232 2 33 THR HA 2 33 THR MG 2.700 . 3.880 3.198 3.198 3.198 . 0 0 "[ ]" 2
233 2 33 THR HA 2 34 GLU QB 5.000 . 5.880 5.300 5.300 5.300 . 0 0 "[ ]" 2
234 1 88 ALA MB 2 33 THR HA 5.000 . 6.530 2.257 2.257 2.257 . 0 0 "[ ]" 2
235 2 32 THR MG 2 33 THR HB 5.000 . 6.530 5.491 5.491 5.491 . 0 0 "[ ]" 2
236 2 33 THR H 2 33 THR HB 3.300 . 3.300 2.358 2.358 2.358 . 0 0 "[ ]" 2
237 2 33 THR H 2 33 THR MG 2.700 . 4.170 2.315 2.315 2.315 . 0 0 "[ ]" 2
238 2 33 THR MG 2 34 GLU HA 3.300 . 4.830 3.494 3.494 3.494 . 0 0 "[ ]" 2
239 2 34 GLU HA 2 34 GLU QG 3.300 . 3.950 2.263 2.263 2.263 . 0 0 "[ ]" 2
240 2 31 ILE HA 2 34 GLU H 5.000 . 5.000 5.057 5.057 5.057 0.057 1 0 "[ ]" 2
241 2 33 THR HA 2 34 GLU H 3.600 . 3.600 3.482 3.482 3.482 . 0 0 "[ ]" 2
242 2 33 THR HB 2 34 GLU H 5.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 2
243 2 33 THR MG 2 34 GLU H 5.000 . 6.530 2.031 2.031 2.031 . 0 0 "[ ]" 2
244 2 33 THR H 2 34 GLU H 3.300 . 3.300 3.002 3.002 3.002 . 0 0 "[ ]" 2
245 2 34 GLU H 2 34 GLU QB 3.300 . 3.920 2.371 2.371 2.371 . 0 0 "[ ]" 2
246 2 34 GLU H 2 34 GLU QG 3.300 . 4.170 2.278 2.278 2.278 . 0 0 "[ ]" 2
247 2 34 GLU H 2 35 THR H 3.300 . 3.300 2.775 2.775 2.775 . 0 0 "[ ]" 2
248 2 32 THR HB 2 35 THR HA 6.000 3.000 6.000 6.393 6.393 6.393 0.393 1 0 "[ ]" 2
249 2 35 THR HA 2 35 THR MG 2.700 . 3.880 2.178 2.178 2.178 . 0 0 "[ ]" 2
250 2 35 THR HB 2 41 LYS QD 5.000 . 6.090 5.410 5.410 5.410 . 0 0 "[ ]" 2
251 2 35 THR HB 2 41 LYS QG 5.000 . 6.090 5.150 5.150 5.150 . 0 0 "[ ]" 2
252 2 35 THR HG1 2 40 ASP QB 5.000 . 7.410 4.892 4.892 4.892 . 0 0 "[ ]" 2
253 2 34 GLU QB 2 35 THR H 3.300 . 4.160 2.039 2.039 2.039 . 0 0 "[ ]" 2
254 2 34 GLU QG 2 35 THR H 3.300 . 4.180 3.796 3.796 3.796 . 0 0 "[ ]" 2
255 2 35 THR H 2 35 THR HB 3.300 . 3.300 3.621 3.621 3.621 0.321 1 0 "[ ]" 2
256 2 35 THR H 2 35 THR MG 3.300 . 4.770 2.298 2.298 2.298 . 0 0 "[ ]" 2
257 2 36 VAL HA 2 36 VAL QG 2.700 . 5.510 1.974 1.974 1.974 . 0 0 "[ ]" 2
258 2 36 VAL QG 2 50 ILE HA 5.000 . 7.810 5.250 5.250 5.250 . 0 0 "[ ]" 2
259 2 33 THR HA 2 36 VAL H 5.000 . 5.000 4.080 4.080 4.080 . 0 0 "[ ]" 2
260 2 33 THR HB 2 36 VAL H 6.000 3.000 6.000 6.235 6.235 6.235 0.235 1 0 "[ ]" 2
261 2 36 VAL H 2 36 VAL MG2 3.300 . 4.770 2.006 2.006 2.006 . 0 0 "[ ]" 2
262 2 36 VAL H 2 38 LYS H 5.000 . 5.000 5.085 5.085 5.085 0.085 1 0 "[ ]" 2
263 1 89 ALA MB 2 37 ALA HA 5.000 . 6.530 3.993 3.993 3.993 . 0 0 "[ ]" 2
264 1 92 LEU QD 2 37 ALA HA 5.000 . 7.810 4.510 4.510 4.510 . 0 0 "[ ]" 2
265 2 34 GLU HA 2 37 ALA H 5.000 . 5.000 4.714 4.714 4.714 . 0 0 "[ ]" 2
266 2 36 VAL HA 2 37 ALA H 3.600 . 3.600 3.551 3.551 3.551 . 0 0 "[ ]" 2
267 2 36 VAL HB 2 37 ALA H 5.000 . 5.000 2.376 2.376 2.376 . 0 0 "[ ]" 2
268 2 36 VAL QG 2 37 ALA H 5.000 . 7.810 3.135 3.135 3.135 . 0 0 "[ ]" 2
269 2 36 VAL H 2 37 ALA H 3.300 . 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 2
270 2 37 ALA H 2 37 ALA MB 2.700 . 3.890 2.080 2.080 2.080 . 0 0 "[ ]" 2
271 2 37 ALA H 2 38 LYS H 3.300 . 3.300 3.077 3.077 3.077 . 0 0 "[ ]" 2
272 2 38 LYS HA 2 38 LYS QD 3.300 . 4.150 3.577 3.577 3.577 . 0 0 "[ ]" 2
273 2 35 THR HB 2 38 LYS H 6.000 3.000 6.000 5.938 5.938 5.938 . 0 0 "[ ]" 2
274 2 37 ALA HA 2 38 LYS H 3.600 . 3.600 3.529 3.529 3.529 . 0 0 "[ ]" 2
275 2 37 ALA MB 2 38 LYS H 3.300 . 4.830 2.041 2.041 2.041 . 0 0 "[ ]" 2
276 2 38 LYS H 2 38 LYS QB 3.300 . 3.920 2.381 2.381 2.381 . 0 0 "[ ]" 2
277 2 38 LYS H 2 38 LYS QD 5.000 . 5.850 4.588 4.588 4.588 . 0 0 "[ ]" 2
278 1 89 ALA MB 2 38 LYS H 6.000 3.000 7.530 6.286 6.286 6.286 . 0 0 "[ ]" 2
279 1 92 LEU HG 2 38 LYS H 5.000 . 5.000 5.038 5.038 5.038 0.038 1 0 "[ ]" 2
280 2 36 VAL HA 2 39 GLY H 5.000 . 5.000 5.204 5.204 5.204 0.204 1 0 "[ ]" 2
281 2 37 ALA H 2 39 GLY H 5.000 . 5.000 4.568 4.568 4.568 . 0 0 "[ ]" 2
282 2 38 LYS HA 2 39 GLY H 3.600 . 3.600 3.517 3.517 3.517 . 0 0 "[ ]" 2
283 2 38 LYS QB 2 39 GLY H 5.000 . 5.860 2.142 2.142 2.142 . 0 0 "[ ]" 2
284 2 38 LYS QD 2 39 GLY H 5.000 . 5.850 4.576 4.576 4.576 . 0 0 "[ ]" 2
285 2 38 LYS H 2 39 GLY H 3.300 . 3.300 2.310 2.310 2.310 . 0 0 "[ ]" 2
286 2 39 GLY H 2 40 ASP H 3.300 . 3.300 2.849 2.849 2.849 . 0 0 "[ ]" 2
287 1 92 LEU QD 2 39 GLY H 5.000 . 7.810 4.426 4.426 4.426 . 0 0 "[ ]" 2
288 2 35 THR MG 2 40 ASP HA 6.000 3.000 7.530 4.616 4.616 4.616 . 0 0 "[ ]" 2
289 2 37 ALA HA 2 40 ASP H 5.000 . 5.000 5.057 5.057 5.057 0.057 1 0 "[ ]" 2
290 2 38 LYS H 2 40 ASP H 5.000 . 5.000 3.648 3.648 3.648 . 0 0 "[ ]" 2
291 2 39 GLY QA 2 40 ASP H 3.600 . 4.120 2.998 2.998 2.998 . 0 0 "[ ]" 2
292 2 40 ASP H 2 40 ASP QB 3.300 . 4.160 2.752 2.752 2.752 . 0 0 "[ ]" 2
293 1 89 ALA MB 2 40 ASP H 5.000 . 6.530 5.476 5.476 5.476 . 0 0 "[ ]" 2
294 2 41 LYS HA 2 51 LYS HA 3.300 . 3.300 3.324 3.324 3.324 0.024 1 0 "[ ]" 2
295 2 41 LYS HA 2 51 LYS QB 5.000 . 5.880 4.486 4.486 4.486 . 0 0 "[ ]" 2
296 2 41 LYS HA 2 52 PRO QD 5.000 . 5.880 3.693 3.693 3.693 . 0 0 "[ ]" 2
297 2 40 ASP HA 2 41 LYS H 3.600 . 3.600 3.500 3.500 3.500 . 0 0 "[ ]" 2
298 2 40 ASP QB 2 41 LYS H 3.300 . 4.160 2.369 2.369 2.369 . 0 0 "[ ]" 2
299 2 40 ASP H 2 41 LYS H 5.000 . 5.000 3.657 3.657 3.657 . 0 0 "[ ]" 2
300 2 41 LYS H 2 41 LYS QB 3.300 . 3.920 2.496 2.496 2.496 . 0 0 "[ ]" 2
301 2 41 LYS H 2 41 LYS QD 5.000 . 5.880 1.912 1.912 1.912 . 0 0 "[ ]" 2
302 1 89 ALA MB 2 41 LYS H 6.000 3.000 7.530 6.367 6.367 6.367 . 0 0 "[ ]" 2
303 2 42 VAL HA 2 42 VAL QG 2.700 . 5.510 2.097 2.097 2.097 . 0 0 "[ ]" 2
304 2 41 LYS HA 2 42 VAL H 3.600 . 3.600 2.233 2.233 2.233 . 0 0 "[ ]" 2
305 2 41 LYS QB 2 42 VAL H 5.000 . 5.860 3.497 3.497 3.497 . 0 0 "[ ]" 2
306 2 41 LYS QG 2 42 VAL H 5.000 . 5.880 4.358 4.358 4.358 . 0 0 "[ ]" 2
307 2 41 LYS H 2 42 VAL H 5.000 . 5.000 4.489 4.489 4.489 . 0 0 "[ ]" 2
308 2 42 VAL H 2 42 VAL QG 3.300 . 6.110 2.763 2.763 2.763 . 0 0 "[ ]" 2
309 2 42 VAL H 2 50 ILE HB 5.000 . 5.000 3.167 3.167 3.167 . 0 0 "[ ]" 2
310 2 42 VAL H 2 50 ILE QG 5.000 . 5.880 4.379 4.379 4.379 . 0 0 "[ ]" 2
311 2 42 VAL H 2 50 ILE H 3.300 . 3.300 3.198 3.198 3.198 . 0 0 "[ ]" 2
312 2 42 VAL H 2 51 LYS HA 5.000 . 5.000 4.531 4.531 4.531 . 0 0 "[ ]" 2
313 2 43 GLN HA 2 43 GLN QG 3.300 . 3.950 3.317 3.317 3.317 . 0 0 "[ ]" 2
314 2 43 GLN HA 2 49 ASN HA 3.300 . 3.300 1.895 1.895 1.895 . 0 0 "[ ]" 2
315 2 43 GLN HA 2 49 ASN QB 5.000 . 5.880 3.610 3.610 3.610 . 0 0 "[ ]" 2
316 2 42 VAL HA 2 43 GLN H 3.600 . 3.600 2.365 2.365 2.365 . 0 0 "[ ]" 2
317 2 43 GLN H 2 43 GLN QB 3.300 . 3.920 3.203 3.203 3.203 . 0 0 "[ ]" 2
318 2 43 GLN H 2 43 GLN HG3 3.300 . 3.300 3.058 3.058 3.058 . 0 0 "[ ]" 2
319 2 43 GLN H 2 43 GLN HG2 5.000 . 5.000 2.419 2.419 2.419 . 0 0 "[ ]" 2
320 2 43 GLN HA 2 44 LEU H 3.600 . 3.600 2.298 2.298 2.298 . 0 0 "[ ]" 2
321 2 44 LEU H 2 44 LEU QD 3.300 . 6.110 3.305 3.305 3.305 . 0 0 "[ ]" 2
322 2 44 LEU H 2 44 LEU HG 5.000 . 5.000 4.422 4.422 4.422 . 0 0 "[ ]" 2
323 2 44 LEU H 2 48 LEU QD 5.000 . 7.810 4.861 4.861 4.861 . 0 0 "[ ]" 2
324 2 44 LEU H 2 48 LEU H 3.300 . 3.300 2.687 2.687 2.687 . 0 0 "[ ]" 2
325 1 28 PHE QD 2 44 LEU H 5.000 . 5.000 8.780 8.780 8.780 3.780 1 1 [+] 2
326 2 45 THR HA 2 45 THR MG 2.700 . 3.880 3.202 3.202 3.202 . 0 0 "[ ]" 2
327 2 45 THR H 2 45 THR MG 3.300 . 4.770 3.232 3.232 3.232 . 0 0 "[ ]" 2
328 2 47 PHE HA 2 85 LEU QB 5.000 . 5.880 4.629 4.629 4.629 . 0 0 "[ ]" 2
329 2 47 PHE HA 2 85 LEU QD 5.000 . 7.810 2.214 2.214 2.214 . 0 0 "[ ]" 2
330 2 44 LEU QD 2 47 PHE QD 3.300 . 6.130 3.307 3.307 3.307 . 0 0 "[ ]" 2
331 2 47 PHE HA 2 47 PHE QD 3.300 . 3.300 2.663 2.663 2.663 . 0 0 "[ ]" 2
332 2 47 PHE QB 2 47 PHE QD 2.700 . 3.580 2.141 2.141 2.141 . 0 0 "[ ]" 2
333 2 32 THR HA 2 47 PHE QE 6.000 3.000 6.000 8.485 8.485 8.485 2.485 1 1 [+] 2
334 2 44 LEU QD 2 47 PHE QE 3.300 . 6.130 2.596 2.596 2.596 . 0 0 "[ ]" 2
335 2 47 PHE HA 2 47 PHE QE 5.000 . 5.000 4.942 4.942 4.942 . 0 0 "[ ]" 2
336 2 47 PHE QB 2 47 PHE QE 3.300 . 4.180 3.871 3.871 3.871 . 0 0 "[ ]" 2
337 2 44 LEU H 2 47 PHE H 3.300 . 3.300 3.462 3.462 3.462 0.162 1 0 "[ ]" 2
338 2 47 PHE H 2 47 PHE QB 3.300 . 4.170 2.330 2.330 2.330 . 0 0 "[ ]" 2
339 2 47 PHE H 2 47 PHE QD 3.300 . 3.300 3.769 3.769 3.769 0.469 1 0 "[ ]" 2
340 2 48 LEU HA 2 48 LEU MD2 3.300 . 4.780 2.500 2.500 2.500 . 0 0 "[ ]" 2
341 2 44 LEU QD 2 48 LEU H 5.000 . 7.830 3.949 3.949 3.949 . 0 0 "[ ]" 2
342 2 47 PHE H 2 48 LEU H 5.000 . 5.000 1.903 1.903 1.903 . 0 0 "[ ]" 2
343 2 48 LEU H 2 48 LEU QB 3.300 . 3.920 2.557 2.557 2.557 . 0 0 "[ ]" 2
344 2 48 LEU H 2 48 LEU QD 3.300 . 6.110 3.875 3.875 3.875 . 0 0 "[ ]" 2
345 2 48 LEU H 2 48 LEU HG 5.000 . 5.000 4.049 4.049 4.049 . 0 0 "[ ]" 2
346 2 43 GLN QB 2 49 ASN HA 5.000 . 5.880 3.380 3.380 3.380 . 0 0 "[ ]" 2
347 2 43 GLN QG 2 49 ASN HA 5.000 . 5.880 4.845 4.845 4.845 . 0 0 "[ ]" 2
348 2 44 LEU QD 2 49 ASN H 5.000 . 7.810 5.336 5.336 5.336 . 0 0 "[ ]" 2
349 2 49 ASN H 2 49 ASN QB 2.700 . 3.320 2.484 2.484 2.484 . 0 0 "[ ]" 2
350 2 49 ASN H 2 79 VAL QG 5.000 . 7.810 2.441 2.441 2.441 . 0 0 "[ ]" 2
351 2 49 ASN H 2 80 LYS H 3.300 . 3.300 3.108 3.108 3.108 . 0 0 "[ ]" 2
352 2 49 ASN H 2 81 PRO HA 5.000 . 5.000 3.406 3.406 3.406 . 0 0 "[ ]" 2
353 2 42 VAL MG1 2 50 ILE HA 3.300 . 4.830 3.764 3.764 3.764 . 0 0 "[ ]" 2
354 2 42 VAL MG2 2 50 ILE HA 6.000 3.000 7.530 6.409 6.409 6.409 . 0 0 "[ ]" 2
355 2 50 ILE HA 2 50 ILE MD 3.300 . 4.830 3.829 3.829 3.829 . 0 0 "[ ]" 2
356 2 50 ILE HA 2 79 VAL HA 3.300 . 3.300 2.978 2.978 2.978 . 0 0 "[ ]" 2
357 2 42 VAL HB 2 50 ILE H 5.000 . 5.000 4.336 4.336 4.336 . 0 0 "[ ]" 2
358 2 43 GLN HA 2 50 ILE H 3.300 . 3.300 3.440 3.440 3.440 0.140 1 0 "[ ]" 2
359 2 49 ASN HA 2 50 ILE H 2.700 . 2.700 2.173 2.173 2.173 . 0 0 "[ ]" 2
360 2 49 ASN QB 2 50 ILE H 3.300 . 4.180 3.639 3.639 3.639 . 0 0 "[ ]" 2
361 2 50 ILE H 2 50 ILE HB 3.300 . 3.300 2.728 2.728 2.728 . 0 0 "[ ]" 2
362 2 50 ILE H 2 50 ILE MD 2.700 . 4.230 3.580 3.580 3.580 . 0 0 "[ ]" 2
363 2 50 ILE H 2 50 ILE MG 3.300 . 4.780 3.831 3.831 3.831 . 0 0 "[ ]" 2
364 2 50 ILE H 2 79 VAL QG 5.000 . 7.810 3.427 3.427 3.427 . 0 0 "[ ]" 2
365 2 41 LYS QB 2 51 LYS HA 5.000 . 5.880 4.415 4.415 4.415 . 0 0 "[ ]" 2
366 2 51 LYS HA 2 52 PRO QD 5.000 . 5.880 2.150 2.150 2.150 . 0 0 "[ ]" 2
367 2 50 ILE HA 2 51 LYS H 3.300 . 3.300 2.168 2.168 2.168 . 0 0 "[ ]" 2
368 2 51 LYS H 2 51 LYS QB 3.300 . 3.920 2.853 2.853 2.853 . 0 0 "[ ]" 2
369 2 51 LYS H 2 51 LYS QD 5.000 . 5.880 4.386 4.386 4.386 . 0 0 "[ ]" 2
370 2 51 LYS H 2 52 PRO QD 3.300 . 4.180 2.748 2.748 2.748 . 0 0 "[ ]" 2
371 2 51 LYS H 2 78 SER QB 5.000 . 5.880 4.266 4.266 4.266 . 0 0 "[ ]" 2
372 2 51 LYS H 2 78 SER H 3.300 . 3.300 3.345 3.345 3.345 0.045 1 0 "[ ]" 2
373 2 51 LYS H 2 79 VAL HA 5.000 . 5.000 3.259 3.259 3.259 . 0 0 "[ ]" 2
374 2 52 PRO HA 2 53 VAL H 3.600 . 3.600 2.689 2.689 2.689 . 0 0 "[ ]" 2
375 2 53 VAL H 2 53 VAL HB 3.300 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 2
376 2 53 VAL H 2 53 VAL MG2 3.300 . 4.770 2.901 2.901 2.901 . 0 0 "[ ]" 2
377 2 53 VAL H 2 75 VAL MG1 5.000 . 6.530 5.723 5.723 5.723 . 0 0 "[ ]" 2
378 2 53 VAL H 2 76 GLY QA 5.000 . 5.800 4.640 4.640 4.640 . 0 0 "[ ]" 2
379 1 89 ALA MB 2 53 VAL H 6.000 3.000 7.530 3.419 3.419 3.419 . 0 0 "[ ]" 2
380 2 54 ALA HA 2 75 VAL QG 5.000 . 7.810 2.105 2.105 2.105 . 0 0 "[ ]" 2
381 2 53 VAL QG 2 54 ALA H 5.000 . 7.810 2.069 2.069 2.069 . 0 0 "[ ]" 2
382 2 53 VAL H 2 54 ALA H 5.000 . 5.000 4.441 4.441 4.441 . 0 0 "[ ]" 2
383 2 54 ALA H 2 54 ALA MB 2.700 . 3.890 2.120 2.120 2.120 . 0 0 "[ ]" 2
384 1 94 TYR QE 2 54 ALA H 6.000 3.000 6.000 5.723 5.723 5.723 . 0 0 "[ ]" 2
385 1 98 ALA MB 2 54 ALA H 6.000 3.000 7.530 6.147 6.147 6.147 . 0 0 "[ ]" 2
386 2 54 ALA MB 2 55 ARG HA 5.000 . 6.530 2.562 2.562 2.562 . 0 0 "[ ]" 2
387 2 55 ARG HA 2 55 ARG QG 3.300 . 3.950 2.062 2.062 2.062 . 0 0 "[ ]" 2
388 2 54 ALA HA 2 55 ARG H 3.300 . 3.300 2.407 2.407 2.407 . 0 0 "[ ]" 2
389 2 54 ALA MB 2 55 ARG H 2.700 . 4.170 2.541 2.541 2.541 . 0 0 "[ ]" 2
390 2 54 ALA H 2 55 ARG H 5.000 . 5.000 4.410 4.410 4.410 . 0 0 "[ ]" 2
391 2 55 ARG H 2 55 ARG QD 5.000 . 5.500 4.925 4.925 4.925 . 0 0 "[ ]" 2
392 2 55 ARG H 2 56 GLN H 5.000 . 5.000 2.505 2.505 2.505 . 0 0 "[ ]" 2
393 2 55 ARG H 2 74 SER HA 5.000 . 5.000 1.834 1.834 1.834 . 0 0 "[ ]" 2
394 2 55 ARG H 2 74 SER H 3.300 . 3.300 3.426 3.426 3.426 0.126 1 0 "[ ]" 2
395 1 94 TYR QE 2 55 ARG H 5.000 . 6.500 3.275 3.275 3.275 . 0 0 "[ ]" 2
396 2 56 GLN HA 2 73 PRO QD 6.000 3.000 6.880 6.262 6.262 6.262 . 0 0 "[ ]" 2
397 2 56 GLN H 2 56 GLN QB 3.300 . 3.920 2.648 2.648 2.648 . 0 0 "[ ]" 2
398 2 56 GLN H 2 56 GLN QG 3.300 . 4.170 3.196 3.196 3.196 . 0 0 "[ ]" 2
399 2 56 GLN H 2 74 SER HA 3.300 . 3.300 3.101 3.101 3.101 . 0 0 "[ ]" 2
400 2 56 GLN H 2 74 SER QB 3.300 . 4.180 4.549 4.549 4.549 0.369 1 0 "[ ]" 2
401 2 57 ALA H 2 57 ALA MB 2.700 . 3.890 2.140 2.140 2.140 . 0 0 "[ ]" 2
402 2 57 ALA H 2 72 ALA HA 5.000 . 5.000 3.976 3.976 3.976 . 0 0 "[ ]" 2
403 1 94 TYR QE 2 57 ALA H 5.000 . 5.000 4.487 4.487 4.487 . 0 0 "[ ]" 2
404 2 57 ALA HA 2 58 ARG HA 5.000 . 5.000 4.563 4.563 4.563 . 0 0 "[ ]" 2
405 2 57 ALA MB 2 58 ARG HA 5.000 . 6.530 4.338 4.338 4.338 . 0 0 "[ ]" 2
406 2 58 ARG HA 2 58 ARG QG 3.300 . 3.950 2.196 2.196 2.196 . 0 0 "[ ]" 2
407 2 57 ALA HA 2 58 ARG H 3.300 . 3.300 2.420 2.420 2.420 . 0 0 "[ ]" 2
408 2 57 ALA MB 2 58 ARG H 3.300 . 4.790 3.720 3.720 3.720 . 0 0 "[ ]" 2
409 2 58 ARG H 2 58 ARG QB 3.300 . 4.180 2.206 2.206 2.206 . 0 0 "[ ]" 2
410 2 58 ARG H 2 58 ARG QG 3.300 . 4.170 3.822 3.822 3.822 . 0 0 "[ ]" 2
411 2 58 ARG H 2 71 ILE HB 5.000 . 5.000 5.076 5.076 5.076 0.076 1 0 "[ ]" 2
412 2 58 ARG H 2 71 ILE MD 3.300 . 4.830 4.100 4.100 4.100 . 0 0 "[ ]" 2
413 2 58 ARG H 2 71 ILE MG 5.000 . 6.530 2.906 2.906 2.906 . 0 0 "[ ]" 2
414 2 58 ARG QB 2 59 LYS H 5.000 . 5.860 2.664 2.664 2.664 . 0 0 "[ ]" 2
415 2 58 ARG QG 2 59 LYS H 5.000 . 5.880 4.505 4.505 4.505 . 0 0 "[ ]" 2
416 2 60 GLY H 2 69 LEU QB 3.300 . 4.180 3.327 3.327 3.327 . 0 0 "[ ]" 2
417 2 60 GLY H 2 69 LEU QD 3.300 . 6.110 3.886 3.886 3.886 . 0 0 "[ ]" 2
418 2 60 GLY H 2 69 LEU HG 5.000 . 6.530 5.652 5.652 5.652 . 0 0 "[ ]" 2
419 2 61 PHE HA 2 61 PHE QD 3.300 . 3.300 3.547 3.547 3.547 0.247 1 0 "[ ]" 2
420 2 61 PHE H 2 61 PHE QD 5.000 . 5.000 2.146 2.146 2.146 . 0 0 "[ ]" 2
421 2 61 PHE QD 2 64 GLN HA 5.000 . 6.500 5.461 5.461 5.461 . 0 0 "[ ]" 2
422 2 61 PHE QD 2 64 GLN QB 5.000 . 7.380 4.123 4.123 4.123 . 0 0 "[ ]" 2
423 2 61 PHE QD 2 66 GLN HA 5.000 . 5.000 3.982 3.982 3.982 . 0 0 "[ ]" 2
424 2 61 PHE QD 2 66 GLN QB 5.000 . 5.880 5.056 5.056 5.056 . 0 0 "[ ]" 2
425 2 61 PHE QD 2 68 ALA HA 5.000 . 5.000 4.860 4.860 4.860 . 0 0 "[ ]" 2
426 2 61 PHE QD 2 68 ALA MB 5.000 . 6.370 3.042 3.042 3.042 . 0 0 "[ ]" 2
427 2 61 PHE H 2 67 GLU HA 3.300 . 3.300 2.926 2.926 2.926 . 0 0 "[ ]" 2
428 2 61 PHE H 2 67 GLU QB 5.000 . 5.880 4.404 4.404 4.404 . 0 0 "[ ]" 2
429 2 61 PHE H 2 67 GLU QG 5.000 . 5.880 3.902 3.902 3.902 . 0 0 "[ ]" 2
430 2 61 PHE H 2 67 GLU H 5.000 . 5.000 5.236 5.236 5.236 0.236 1 0 "[ ]" 2
431 2 61 PHE H 2 68 ALA HA 3.300 . 3.300 3.954 3.954 3.954 0.654 1 1 [+] 2
432 2 61 PHE H 2 68 ALA MB 3.300 . 4.830 3.894 3.894 3.894 . 0 0 "[ ]" 2
433 2 61 PHE H 2 68 ALA H 5.000 . 5.000 1.865 1.865 1.865 . 0 0 "[ ]" 2
434 2 61 PHE HZ 2 64 GLN HA 5.000 . 5.000 4.999 4.999 4.999 . 0 0 "[ ]" 2
435 2 61 PHE HZ 2 66 GLN HA 5.000 . 5.000 2.066 2.066 2.066 . 0 0 "[ ]" 2
436 2 61 PHE HZ 2 66 GLN QB 3.300 . 4.180 3.778 3.778 3.778 . 0 0 "[ ]" 2
437 2 61 PHE HZ 2 67 GLU HA 6.000 3.000 6.000 4.030 4.030 4.030 . 0 0 "[ ]" 2
438 2 61 PHE HZ 2 67 GLU H 5.000 . 5.000 2.300 2.300 2.300 . 0 0 "[ ]" 2
439 2 61 PHE HZ 2 68 ALA MB 5.000 . 5.880 5.154 5.154 5.154 . 0 0 "[ ]" 2
440 2 62 ASN HA 2 63 PRO QD 2.700 . 3.550 2.109 2.109 2.109 . 0 0 "[ ]" 2
441 2 62 ASN QD 2 65 THR MG 3.300 . 5.710 4.045 4.045 4.045 . 0 0 "[ ]" 2
442 2 61 PHE HA 2 62 ASN H 3.300 . 3.300 3.552 3.552 3.552 0.252 1 0 "[ ]" 2
443 2 61 PHE QB 2 62 ASN H 5.000 . 5.880 3.321 3.321 3.321 . 0 0 "[ ]" 2
444 2 62 ASN H 2 62 ASN QB 3.300 . 3.920 2.858 2.858 2.858 . 0 0 "[ ]" 2
445 2 62 ASN H 2 67 GLU QB 5.000 . 5.880 5.667 5.667 5.667 . 0 0 "[ ]" 2
446 2 62 ASN H 2 67 GLU QG 3.300 . 4.180 4.104 4.104 4.104 . 0 0 "[ ]" 2
447 2 62 ASN H 2 67 GLU H 5.000 . 5.000 5.015 5.015 5.015 0.015 1 0 "[ ]" 2
448 2 62 ASN H 2 68 ALA H 5.000 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 2
449 2 64 GLN HA 2 64 GLN HG3 3.300 . 3.300 2.549 2.549 2.549 . 0 0 "[ ]" 2
450 2 62 ASN HA 2 64 GLN H 5.000 . 5.000 5.017 5.017 5.017 0.017 1 0 "[ ]" 2
451 2 63 PRO QB 2 64 GLN H 5.000 . 5.860 3.953 3.953 3.953 . 0 0 "[ ]" 2
452 2 63 PRO QD 2 64 GLN H 3.300 . 4.180 3.862 3.862 3.862 . 0 0 "[ ]" 2
453 2 64 GLN H 2 64 GLN QB 2.700 . 3.320 2.965 2.965 2.965 . 0 0 "[ ]" 2
454 2 64 GLN H 2 65 THR HG1 5.000 . 6.830 4.606 4.606 4.606 . 0 0 "[ ]" 2
455 2 64 GLN H 2 65 THR H 3.300 . 3.300 2.666 2.666 2.666 . 0 0 "[ ]" 2
456 2 64 GLN H 2 66 GLN HA 3.300 . 3.300 3.730 3.730 3.730 0.430 1 0 "[ ]" 2
457 2 65 THR HA 2 65 THR MG 2.700 . 3.890 2.123 2.123 2.123 . 0 0 "[ ]" 2
458 2 62 ASN HB2 2 65 THR H 6.000 3.000 6.000 3.260 3.260 3.260 . 0 0 "[ ]" 2
459 2 64 GLN HA 2 65 THR H 5.000 . 5.000 3.600 3.600 3.600 . 0 0 "[ ]" 2
460 2 64 GLN HB3 2 65 THR H 3.300 . 3.300 2.185 2.185 2.185 . 0 0 "[ ]" 2
461 2 64 GLN HB2 2 65 THR H 5.000 . 5.000 3.547 3.547 3.547 . 0 0 "[ ]" 2
462 2 65 THR H 2 65 THR HB 3.300 . 3.300 3.372 3.372 3.372 0.072 1 0 "[ ]" 2
463 2 65 THR H 2 65 THR MG 3.300 . 4.490 3.350 3.350 3.350 . 0 0 "[ ]" 2
464 2 65 THR H 2 66 GLN HA 5.000 . 5.000 4.535 4.535 4.535 . 0 0 "[ ]" 2
465 2 66 GLN HA 2 66 GLN QG 3.300 . 3.950 3.288 3.288 3.288 . 0 0 "[ ]" 2
466 2 64 GLN HA 2 66 GLN H 5.000 . 5.000 4.033 4.033 4.033 . 0 0 "[ ]" 2
467 2 65 THR HA 2 66 GLN H 3.300 . 3.300 2.592 2.592 2.592 . 0 0 "[ ]" 2
468 2 65 THR HG1 2 66 GLN H 3.300 . 4.830 4.050 4.050 4.050 . 0 0 "[ ]" 2
469 2 65 THR H 2 66 GLN H 3.300 . 3.300 3.353 3.353 3.353 0.053 1 0 "[ ]" 2
470 2 66 GLN H 2 66 GLN QB 2.700 . 3.320 2.705 2.705 2.705 . 0 0 "[ ]" 2
471 2 66 GLN H 2 66 GLN QG 3.300 . 4.170 2.653 2.653 2.653 . 0 0 "[ ]" 2
472 2 66 GLN H 2 67 GLU H 5.000 . 5.000 4.321 4.321 4.321 . 0 0 "[ ]" 2
473 2 67 GLU HA 2 67 GLU QG 3.300 . 3.950 2.099 2.099 2.099 . 0 0 "[ ]" 2
474 2 62 ASN QB 2 67 GLU H 5.000 . 5.880 5.397 5.397 5.397 . 0 0 "[ ]" 2
475 2 66 GLN HA 2 67 GLU H 3.300 . 3.300 2.116 2.116 2.116 . 0 0 "[ ]" 2
476 2 67 GLU H 2 67 GLU QB 3.300 . 3.920 2.601 2.601 2.601 . 0 0 "[ ]" 2
477 2 67 GLU H 2 67 GLU QG 3.300 . 4.170 2.290 2.290 2.290 . 0 0 "[ ]" 2
478 2 61 PHE HA 2 68 ALA H 3.300 . 3.300 3.594 3.594 3.594 0.294 1 0 "[ ]" 2
479 2 67 GLU H 2 68 ALA H 5.000 . 5.000 3.941 3.941 3.941 . 0 0 "[ ]" 2
480 2 68 ALA H 2 68 ALA MB 2.700 . 3.890 2.462 2.462 2.462 . 0 0 "[ ]" 2
481 2 69 LEU HA 2 69 LEU MD1 3.300 . 4.680 3.729 3.729 3.729 . 0 0 "[ ]" 2
482 2 69 LEU HA 2 69 LEU MD2 2.700 . 4.080 1.957 1.957 1.957 . 0 0 "[ ]" 2
483 2 69 LEU HA 2 69 LEU HG 3.300 . 3.300 2.463 2.463 2.463 . 0 0 "[ ]" 2
484 2 69 LEU H 2 69 LEU QD 3.300 . 6.110 3.706 3.706 3.706 . 0 0 "[ ]" 2
485 2 69 LEU H 2 69 LEU HG 5.000 . 5.000 3.355 3.355 3.355 . 0 0 "[ ]" 2
486 2 65 THR HB 2 69 LEU H 3.300 . 3.300 3.610 3.610 3.610 0.310 1 0 "[ ]" 2
487 2 70 GLU H 2 70 GLU QB 3.300 . 3.920 2.317 2.317 2.317 . 0 0 "[ ]" 2
488 2 71 ILE HA 2 71 ILE MD 3.300 . 4.780 2.032 2.032 2.032 . 0 0 "[ ]" 2
489 2 71 ILE HA 2 71 ILE QG 3.300 . 3.950 2.644 2.644 2.644 . 0 0 "[ ]" 2
490 2 71 ILE HA 2 71 ILE MG 3.300 . 4.490 3.221 3.221 3.221 . 0 0 "[ ]" 2
491 2 71 ILE H 2 71 ILE HB 3.300 . 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 2
492 2 71 ILE H 2 71 ILE MD 3.300 . 4.830 4.097 4.097 4.097 . 0 0 "[ ]" 2
493 2 71 ILE H 2 71 ILE MG 3.300 . 4.780 2.314 2.314 2.314 . 0 0 "[ ]" 2
494 2 57 ALA HA 2 72 ALA HA 5.000 . 5.000 1.915 1.915 1.915 . 0 0 "[ ]" 2
495 2 57 ALA MB 2 72 ALA HA 5.000 . 6.530 2.917 2.917 2.917 . 0 0 "[ ]" 2
496 2 72 ALA HA 2 73 PRO QB 5.000 . 5.880 5.475 5.475 5.475 . 0 0 "[ ]" 2
497 2 72 ALA HA 2 73 PRO QD 3.300 . 4.180 3.510 3.510 3.510 . 0 0 "[ ]" 2
498 2 72 ALA MB 2 73 PRO HA 5.000 . 6.530 4.218 4.218 4.218 . 0 0 "[ ]" 2
499 2 72 ALA MB 2 73 PRO HD3 3.300 . 4.830 1.912 1.912 1.912 . 0 0 "[ ]" 2
500 2 72 ALA MB 2 73 PRO HD2 5.000 . 6.530 2.334 2.334 2.334 . 0 0 "[ ]" 2
501 2 71 ILE HA 2 72 ALA H 3.300 . 3.300 2.154 2.154 2.154 . 0 0 "[ ]" 2
502 2 71 ILE HB 2 72 ALA H 5.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 2
503 2 71 ILE MG 2 72 ALA H 5.000 . 6.530 4.139 4.139 4.139 . 0 0 "[ ]" 2
504 2 72 ALA H 2 72 ALA MB 2.700 . 3.890 2.933 2.933 2.933 . 0 0 "[ ]" 2
505 2 73 PRO QB 2 73 PRO HD3 3.300 . 3.950 3.224 3.224 3.224 . 0 0 "[ ]" 2
506 2 74 SER HA 2 75 VAL QG 5.000 . 7.880 3.028 3.028 3.028 . 0 0 "[ ]" 2
507 2 54 ALA HA 2 74 SER H 5.000 . 5.000 4.137 4.137 4.137 . 0 0 "[ ]" 2
508 2 54 ALA H 2 74 SER H 6.000 3.000 6.000 6.520 6.520 6.520 0.520 1 1 [+] 2
509 1 94 TYR QD 2 74 SER H 5.000 . 5.000 2.048 2.048 2.048 . 0 0 "[ ]" 2
510 1 94 TYR QE 2 74 SER H 5.000 . 5.000 2.384 2.384 2.384 . 0 0 "[ ]" 2
511 2 73 PRO HA 2 74 SER H 3.300 . 3.300 2.434 2.434 2.434 . 0 0 "[ ]" 2
512 2 74 SER H 2 74 SER QB 3.300 . 3.920 2.840 2.840 2.840 . 0 0 "[ ]" 2
513 2 75 VAL HA 2 75 VAL QG 2.700 . 4.930 2.231 2.231 2.231 . 0 0 "[ ]" 2
514 1 89 ALA MB 2 75 VAL HA 6.000 3.000 7.530 6.291 6.291 6.291 . 0 0 "[ ]" 2
515 1 94 TYR QD 2 75 VAL QG 5.000 . 7.810 4.649 4.649 4.649 . 0 0 "[ ]" 2
516 1 97 PHE QD 2 75 VAL QG 5.000 . 7.810 3.961 3.961 3.961 . 0 0 "[ ]" 2
517 1 97 PHE QE 2 75 VAL QG 5.000 . 7.810 4.503 4.503 4.503 . 0 0 "[ ]" 2
518 2 55 ARG HA 2 75 VAL H 5.000 . 5.000 5.590 5.590 5.590 0.590 1 1 [+] 2
519 1 89 ALA MB 2 76 GLY H 3.300 . 4.830 4.017 4.017 4.017 . 0 0 "[ ]" 2
520 2 74 SER QB 2 75 VAL H 3.300 . 4.160 2.091 2.091 2.091 . 0 0 "[ ]" 2
521 2 75 VAL H 2 76 GLY QA 5.000 . 5.800 4.359 4.359 4.359 . 0 0 "[ ]" 2
522 2 54 ALA MB 2 76 GLY H 5.000 . 6.530 5.284 5.284 5.284 . 0 0 "[ ]" 2
523 2 53 VAL HB 2 76 GLY H 3.300 . 3.300 3.562 3.562 3.562 0.262 1 0 "[ ]" 2
524 2 53 VAL QG 2 77 VAL HA 5.000 . 7.810 4.078 4.078 4.078 . 0 0 "[ ]" 2
525 2 77 VAL HA 2 77 VAL QG 2.700 . 5.510 2.059 2.059 2.059 . 0 0 "[ ]" 2
526 2 36 VAL QG 2 77 VAL HA 3.300 . 6.110 4.462 4.462 4.462 . 0 0 "[ ]" 2
527 2 77 VAL H 2 77 VAL QG 3.300 . 6.110 2.724 2.724 2.724 . 0 0 "[ ]" 2
528 2 77 VAL QG 2 78 SER HA 3.300 . 6.110 3.712 3.712 3.712 . 0 0 "[ ]" 2
529 2 52 PRO HA 2 78 SER H 5.000 . 5.000 2.095 2.095 2.095 . 0 0 "[ ]" 2
530 2 53 VAL H 2 78 SER H 5.000 . 5.000 4.615 4.615 4.615 . 0 0 "[ ]" 2
531 2 77 VAL HA 2 78 SER H 3.600 . 3.600 2.212 2.212 2.212 . 0 0 "[ ]" 2
532 2 77 VAL QG 2 78 SER H 3.300 . 6.110 2.181 2.181 2.181 . 0 0 "[ ]" 2
533 2 77 VAL H 2 78 SER H 5.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 2
534 2 78 SER H 2 78 SER QB 2.700 . 3.320 2.451 2.451 2.451 . 0 0 "[ ]" 2
535 2 78 SER H 2 79 VAL H 5.000 . 5.000 4.204 4.204 4.204 . 0 0 "[ ]" 2
536 2 79 VAL HA 2 79 VAL QG 2.700 . 5.510 2.086 2.086 2.086 . 0 0 "[ ]" 2
537 2 78 SER HA 2 79 VAL H 3.600 . 3.600 2.165 2.165 2.165 . 0 0 "[ ]" 2
538 2 78 SER QB 2 79 VAL H 5.000 . 5.860 3.447 3.447 3.447 . 0 0 "[ ]" 2
539 2 79 VAL H 2 79 VAL MG1 3.300 . 4.780 3.881 3.881 3.881 . 0 0 "[ ]" 2
540 2 79 VAL H 2 80 LYS H 5.000 . 5.000 4.435 4.435 4.435 . 0 0 "[ ]" 2
541 1 80 LYS QD 2 79 VAL H 5.000 . 5.880 3.930 3.930 3.930 . 0 0 "[ ]" 2
542 1 80 LYS QG 2 79 VAL H 5.000 . 5.880 3.855 3.855 3.855 . 0 0 "[ ]" 2
543 2 80 LYS HA 2 81 PRO QD 3.300 . 4.180 2.180 2.180 2.180 . 0 0 "[ ]" 2
544 2 49 ASN QB 2 80 LYS H 3.300 . 4.180 2.795 2.795 2.795 . 0 0 "[ ]" 2
545 2 79 VAL HA 2 80 LYS H 3.600 . 3.600 2.187 2.187 2.187 . 0 0 "[ ]" 2
546 2 79 VAL HB 2 80 LYS H 5.000 . 5.000 3.963 3.963 3.963 . 0 0 "[ ]" 2
547 2 79 VAL MG1 2 80 LYS H 2.700 . 4.230 2.124 2.124 2.124 . 0 0 "[ ]" 2
548 2 79 VAL MG2 2 80 LYS H 5.000 . 6.530 3.871 3.871 3.871 . 0 0 "[ ]" 2
549 2 80 LYS H 2 80 LYS QB 3.300 . 3.920 2.454 2.454 2.454 . 0 0 "[ ]" 2
550 2 80 LYS H 2 80 LYS QD 5.000 . 5.880 4.603 4.603 4.603 . 0 0 "[ ]" 2
551 2 80 LYS H 2 80 LYS QG 3.300 . 4.170 3.294 3.294 3.294 . 0 0 "[ ]" 2
552 2 81 PRO HA 2 81 PRO QG 3.300 . 3.950 3.342 3.342 3.342 . 0 0 "[ ]" 2
553 2 47 PHE HA 2 82 GLY H 5.000 . 5.000 3.943 3.943 3.943 . 0 0 "[ ]" 2
554 2 47 PHE QB 2 82 GLY H 5.000 . 5.880 5.410 5.410 5.410 . 0 0 "[ ]" 2
555 2 81 PRO HA 2 82 GLY H 3.600 . 3.600 2.861 2.861 2.861 . 0 0 "[ ]" 2
556 2 81 PRO QB 2 82 GLY H 5.000 . 5.860 2.008 2.008 2.008 . 0 0 "[ ]" 2
557 2 81 PRO QG 2 82 GLY H 5.000 . 5.880 3.975 3.975 3.975 . 0 0 "[ ]" 2
558 2 83 GLU HA 2 83 GLU QG 3.300 . 3.950 3.223 3.223 3.223 . 0 0 "[ ]" 2
559 2 82 GLY QA 2 83 GLU H 3.600 . 4.220 2.108 2.108 2.108 . 0 0 "[ ]" 2
560 2 82 GLY H 2 83 GLU H 5.000 . 5.000 4.303 4.303 4.303 . 0 0 "[ ]" 2
561 2 83 GLU H 2 83 GLU QB 3.300 . 3.920 3.182 3.182 3.182 . 0 0 "[ ]" 2
562 2 83 GLU H 2 83 GLU QG 3.300 . 4.170 2.764 2.764 2.764 . 0 0 "[ ]" 2
563 2 83 GLU H 2 84 SER H 3.300 . 3.300 3.919 3.919 3.919 0.619 1 1 [+] 2
564 1 76 GLY QA 2 83 GLU H 5.000 . 5.880 5.224 5.224 5.224 . 0 0 "[ ]" 2
565 2 83 GLU HA 2 84 SER H 3.600 . 3.600 3.469 3.469 3.469 . 0 0 "[ ]" 2
566 2 83 GLU QB 2 84 SER H 3.300 . 4.160 2.264 2.264 2.264 . 0 0 "[ ]" 2
567 2 83 GLU HG3 2 84 SER H 3.300 . 3.300 1.985 1.985 1.985 . 0 0 "[ ]" 2
568 2 83 GLU HG2 2 84 SER H 5.000 . 5.000 3.468 3.468 3.468 . 0 0 "[ ]" 2
569 2 84 SER H 2 84 SER QB 3.300 . 3.920 2.323 2.323 2.323 . 0 0 "[ ]" 2
570 2 84 SER H 2 85 LEU H 3.300 . 3.300 2.797 2.797 2.797 . 0 0 "[ ]" 2
571 2 84 SER H 2 86 LYS H 5.000 . 5.000 3.835 3.835 3.835 . 0 0 "[ ]" 2
572 2 47 PHE HA 2 84 SER H 6.000 3.000 6.000 6.041 6.041 6.041 0.041 1 0 "[ ]" 2
573 2 85 LEU HA 2 85 LEU QD 3.300 . 6.110 2.910 2.910 2.910 . 0 0 "[ ]" 2
574 2 85 LEU HA 2 85 LEU HG 3.300 . 3.300 2.213 2.213 2.213 . 0 0 "[ ]" 2
575 2 84 SER HA 2 85 LEU H 3.600 . 3.600 3.540 3.540 3.540 . 0 0 "[ ]" 2
576 2 84 SER QB 2 85 LEU H 5.000 . 5.860 2.042 2.042 2.042 . 0 0 "[ ]" 2
577 2 85 LEU H 2 85 LEU QB 3.300 . 3.920 2.336 2.336 2.336 . 0 0 "[ ]" 2
578 2 85 LEU H 2 85 LEU HG 5.000 . 5.000 3.229 3.229 3.229 . 0 0 "[ ]" 2
579 2 47 PHE HA 2 85 LEU H 5.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 2
580 2 86 LYS HA 2 86 LYS QD 3.300 . 4.150 3.299 3.299 3.299 . 0 0 "[ ]" 2
581 2 86 LYS HA 2 86 LYS QG 3.300 . 3.950 2.012 2.012 2.012 . 0 0 "[ ]" 2
582 2 85 LEU HA 2 86 LYS H 3.600 . 3.600 3.561 3.561 3.561 . 0 0 "[ ]" 2
583 2 85 LEU HB3 2 86 LYS H 3.300 . 3.300 3.307 3.307 3.307 0.007 1 0 "[ ]" 2
584 2 85 LEU HB2 2 86 LYS H 5.000 . 5.000 2.513 2.513 2.513 . 0 0 "[ ]" 2
585 2 85 LEU QD 2 86 LYS H 5.000 . 7.810 3.665 3.665 3.665 . 0 0 "[ ]" 2
586 2 85 LEU HG 2 86 LYS H 5.000 . 5.000 4.831 4.831 4.831 . 0 0 "[ ]" 2
587 2 85 LEU H 2 86 LYS H 3.300 . 3.300 2.889 2.889 2.889 . 0 0 "[ ]" 2
588 2 86 LYS H 2 86 LYS QB 3.300 . 3.920 2.100 2.100 2.100 . 0 0 "[ ]" 2
589 2 86 LYS H 2 86 LYS QD 3.300 . 4.170 3.839 3.839 3.839 . 0 0 "[ ]" 2
590 2 86 LYS H 2 87 LYS H 3.300 . 3.300 3.150 3.150 3.150 . 0 0 "[ ]" 2
591 2 86 LYS H 2 88 ALA H 5.000 . 5.000 4.058 4.058 4.058 . 0 0 "[ ]" 2
592 2 87 LYS HA 2 87 LYS QD 3.300 . 4.150 3.794 3.794 3.794 . 0 0 "[ ]" 2
593 2 87 LYS HA 2 87 LYS QG 3.300 . 3.950 2.085 2.085 2.085 . 0 0 "[ ]" 2
594 2 85 LEU H 2 87 LYS H 5.000 . 5.000 4.893 4.893 4.893 . 0 0 "[ ]" 2
595 2 86 LYS HA 2 87 LYS H 3.600 . 3.600 3.567 3.567 3.567 . 0 0 "[ ]" 2
596 2 87 LYS H 2 87 LYS QB 3.300 . 3.920 2.107 2.107 2.107 . 0 0 "[ ]" 2
597 2 87 LYS H 2 87 LYS QD 5.000 . 5.880 3.326 3.326 3.326 . 0 0 "[ ]" 2
598 2 87 LYS H 2 87 LYS QG 3.300 . 4.170 3.107 3.107 3.107 . 0 0 "[ ]" 2
599 2 87 LYS H 2 88 ALA H 3.300 . 3.300 2.777 2.777 2.777 . 0 0 "[ ]" 2
600 2 87 LYS H 2 89 ALA H 5.000 . 5.000 4.908 4.908 4.908 . 0 0 "[ ]" 2
601 1 33 THR MG 2 88 ALA MB 3.300 . 6.360 3.055 3.055 3.055 . 0 0 "[ ]" 2
602 2 84 SER HA 2 88 ALA H 5.000 . 5.000 4.790 4.790 4.790 . 0 0 "[ ]" 2
603 2 85 LEU HA 2 88 ALA H 5.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 2
604 2 87 LYS HA 2 88 ALA H 3.600 . 3.600 3.495 3.495 3.495 . 0 0 "[ ]" 2
605 2 87 LYS QB 2 88 ALA H 5.000 . 5.860 2.855 2.855 2.855 . 0 0 "[ ]" 2
606 2 88 ALA H 2 88 ALA MB 2.700 . 3.890 2.019 2.019 2.019 . 0 0 "[ ]" 2
607 2 88 ALA H 2 89 ALA H 3.300 . 3.300 2.941 2.941 2.941 . 0 0 "[ ]" 2
608 1 54 ALA MB 2 89 ALA HA 5.000 . 6.530 5.604 5.604 5.604 . 0 0 "[ ]" 2
609 2 86 LYS HA 2 89 ALA H 5.000 . 5.000 3.894 3.894 3.894 . 0 0 "[ ]" 2
610 2 86 LYS QB 2 89 ALA H 5.000 . 5.880 5.322 5.322 5.322 . 0 0 "[ ]" 2
611 2 86 LYS QG 2 89 ALA H 5.000 . 5.880 5.232 5.232 5.232 . 0 0 "[ ]" 2
612 2 88 ALA MB 2 89 ALA H 3.300 . 4.770 2.351 2.351 2.351 . 0 0 "[ ]" 2
613 2 89 ALA H 2 89 ALA MB 2.700 . 3.890 2.184 2.184 2.184 . 0 0 "[ ]" 2
614 2 90 GLU HA 2 90 GLU QG 3.300 . 3.950 2.270 2.270 2.270 . 0 0 "[ ]" 2
615 2 87 LYS HA 2 90 GLU H 5.000 . 5.000 3.914 3.914 3.914 . 0 0 "[ ]" 2
616 2 88 ALA H 2 90 GLU H 5.000 . 5.000 4.086 4.086 4.086 . 0 0 "[ ]" 2
617 2 89 ALA HA 2 90 GLU H 3.600 . 3.600 3.415 3.415 3.415 . 0 0 "[ ]" 2
618 2 89 ALA MB 2 90 GLU H 5.000 . 6.470 3.140 3.140 3.140 . 0 0 "[ ]" 2
619 2 89 ALA H 2 90 GLU H 3.300 . 3.300 2.837 2.837 2.837 . 0 0 "[ ]" 2
620 2 90 GLU H 2 90 GLU QB 3.300 . 3.920 2.500 2.500 2.500 . 0 0 "[ ]" 2
621 2 90 GLU H 2 92 LEU H 5.000 . 5.000 4.798 4.798 4.798 . 0 0 "[ ]" 2
622 2 88 ALA HA 2 91 GLY H 5.000 . 5.000 4.894 4.894 4.894 . 0 0 "[ ]" 2
623 2 90 GLU HA 2 91 GLY H 3.600 . 3.600 3.547 3.547 3.547 . 0 0 "[ ]" 2
624 2 90 GLU QB 2 91 GLY H 3.300 . 4.160 1.960 1.960 1.960 . 0 0 "[ ]" 2
625 2 90 GLU QG 2 91 GLY H 3.300 . 4.180 3.852 3.852 3.852 . 0 0 "[ ]" 2
626 2 90 GLU H 2 91 GLY H 3.300 . 3.300 3.287 3.287 3.287 . 0 0 "[ ]" 2
627 2 91 GLY H 2 92 LEU H 3.300 . 3.300 2.909 2.909 2.909 . 0 0 "[ ]" 2
628 2 92 LEU HA 2 92 LEU QD 2.700 . 5.510 1.986 1.986 1.986 . 0 0 "[ ]" 2
629 1 37 ALA HA 2 92 LEU H 5.000 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 2
630 1 38 LYS H 2 92 LEU H 5.000 . 5.000 5.404 5.404 5.404 0.404 1 0 "[ ]" 2
631 2 89 ALA HA 2 92 LEU H 5.000 . 5.000 4.001 4.001 4.001 . 0 0 "[ ]" 2
632 2 89 ALA MB 2 92 LEU H 5.000 . 6.530 5.134 5.134 5.134 . 0 0 "[ ]" 2
633 2 91 GLY QA 2 92 LEU H 3.600 . 4.400 3.078 3.078 3.078 . 0 0 "[ ]" 2
634 2 92 LEU HA 2 93 LYS H 3.600 . 3.600 3.580 3.580 3.580 . 0 0 "[ ]" 2
635 2 92 LEU QB 2 93 LYS H 3.300 . 4.160 2.996 2.996 2.996 . 0 0 "[ ]" 2
636 2 92 LEU QD 2 93 LYS H 3.300 . 6.130 4.285 4.285 4.285 . 0 0 "[ ]" 2
637 2 92 LEU HG 2 93 LYS H 5.000 . 5.000 4.968 4.968 4.968 . 0 0 "[ ]" 2
638 2 92 LEU H 2 93 LYS H 5.000 . 5.000 2.529 2.529 2.529 . 0 0 "[ ]" 2
639 2 93 LYS H 2 93 LYS QB 3.300 . 3.920 2.420 2.420 2.420 . 0 0 "[ ]" 2
640 2 93 LYS H 2 93 LYS QD 5.000 . 5.880 4.970 4.970 4.970 . 0 0 "[ ]" 2
641 2 93 LYS H 2 93 LYS QG 3.300 . 4.170 3.850 3.850 3.850 . 0 0 "[ ]" 2
642 2 93 LYS H 2 96 ASP H 6.000 3.000 6.000 5.714 5.714 5.714 . 0 0 "[ ]" 2
643 2 93 LYS H 2 97 PHE QB 5.000 . 5.880 5.746 5.746 5.746 . 0 0 "[ ]" 2
644 1 75 VAL MG1 2 94 TYR HA 3.300 . 4.830 4.477 4.477 4.477 . 0 0 "[ ]" 2
645 1 75 VAL MG2 2 94 TYR HA 5.000 . 6.530 5.283 5.283 5.283 . 0 0 "[ ]" 2
646 1 54 ALA MB 2 94 TYR QD 5.000 . 6.530 1.888 1.888 1.888 . 0 0 "[ ]" 2
647 2 94 TYR HA 2 94 TYR QD 3.300 . 3.300 2.294 2.294 2.294 . 0 0 "[ ]" 2
648 2 94 TYR QD 2 95 GLU HA 5.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 2
649 2 92 LEU H 2 94 TYR QD 5.000 . 5.000 4.902 4.902 4.902 . 0 0 "[ ]" 2
650 2 93 LYS H 2 94 TYR QD 5.000 . 5.000 4.968 4.968 4.968 . 0 0 "[ ]" 2
651 2 94 TYR QD 2 95 GLU QG 5.000 . 5.880 2.954 2.954 2.954 . 0 0 "[ ]" 2
652 2 94 TYR QD 2 95 GLU H 3.300 . 3.300 3.317 3.317 3.317 0.017 1 0 "[ ]" 2
653 1 54 ALA HA 2 94 TYR QE 6.000 3.000 6.000 4.202 4.202 4.202 . 0 0 "[ ]" 2
654 1 54 ALA MB 2 94 TYR QE 3.300 . 4.830 1.797 1.797 1.797 0.003 1 0 "[ ]" 2
655 1 57 ALA HA 2 94 TYR QE 5.000 . 6.500 5.243 5.243 5.243 . 0 0 "[ ]" 2
656 1 72 ALA HA 2 94 TYR QE 5.000 . 6.500 3.828 3.828 3.828 . 0 0 "[ ]" 2
657 2 94 TYR HA 2 94 TYR QE 5.000 . 6.500 4.235 4.235 4.235 . 0 0 "[ ]" 2
658 2 94 TYR QE 2 95 GLU HA 5.000 . 5.000 3.666 3.666 3.666 . 0 0 "[ ]" 2
659 2 94 TYR QE 2 95 GLU QB 5.000 . 5.880 4.625 4.625 4.625 . 0 0 "[ ]" 2
660 2 94 TYR QE 2 95 GLU QG 5.000 . 5.880 4.129 4.129 4.129 . 0 0 "[ ]" 2
661 2 94 TYR QE 2 98 ALA HA 6.000 3.000 6.000 4.324 4.324 4.324 . 0 0 "[ ]" 2
662 2 94 TYR QE 2 98 ALA MB 6.000 3.000 7.530 2.752 2.752 2.752 0.248 1 0 "[ ]" 2
663 2 93 LYS HA 2 94 TYR H 3.600 . 3.600 3.087 3.087 3.087 . 0 0 "[ ]" 2
664 2 93 LYS QG 2 94 TYR H 3.300 . 4.170 4.126 4.126 4.126 . 0 0 "[ ]" 2
665 2 93 LYS H 2 94 TYR H 3.300 . 3.300 1.930 1.930 1.930 . 0 0 "[ ]" 2
666 2 94 TYR H 2 94 TYR QD 5.000 . 5.000 3.895 3.895 3.895 . 0 0 "[ ]" 2
667 2 94 TYR H 2 96 ASP H 5.000 . 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 2
668 2 95 GLU HA 2 95 GLU QG 3.300 . 3.950 2.763 2.763 2.763 . 0 0 "[ ]" 2
669 2 95 GLU HA 2 98 ALA MB 5.000 . 6.530 4.089 4.089 4.089 . 0 0 "[ ]" 2
670 2 93 LYS H 2 95 GLU H 5.000 . 5.000 4.532 4.532 4.532 . 0 0 "[ ]" 2
671 2 94 TYR HA 2 95 GLU H 3.600 . 3.600 3.533 3.533 3.533 . 0 0 "[ ]" 2
672 2 94 TYR H 2 95 GLU H 3.300 . 3.300 2.616 2.616 2.616 . 0 0 "[ ]" 2
673 2 95 GLU H 2 95 GLU QB 3.300 . 3.920 3.050 3.050 3.050 . 0 0 "[ ]" 2
674 2 95 GLU H 2 95 GLU QG 3.300 . 4.170 1.909 1.909 1.909 . 0 0 "[ ]" 2
675 2 95 GLU H 2 96 ASP H 3.300 . 3.300 2.805 2.805 2.805 . 0 0 "[ ]" 2
676 2 95 GLU H 2 97 PHE H 5.000 . 5.000 4.272 4.272 4.272 . 0 0 "[ ]" 2
677 2 95 GLU HA 2 96 ASP H 3.600 . 3.600 3.394 3.394 3.394 . 0 0 "[ ]" 2
678 2 95 GLU QB 2 96 ASP H 3.300 . 4.180 3.433 3.433 3.433 . 0 0 "[ ]" 2
679 2 95 GLU QG 2 96 ASP H 3.300 . 4.180 3.783 3.783 3.783 . 0 0 "[ ]" 2
680 2 96 ASP H 2 96 ASP QB 3.300 . 3.920 2.116 2.116 2.116 . 0 0 "[ ]" 2
681 1 54 ALA MB 2 97 PHE QB 5.000 . 7.410 1.888 1.888 1.888 . 0 0 "[ ]" 2
682 1 71 ILE MD 2 97 PHE QD 6.000 3.000 7.530 5.947 5.947 5.947 . 0 0 "[ ]" 2
683 2 94 TYR HA 2 97 PHE QD 5.000 . 5.000 2.971 2.971 2.971 . 0 0 "[ ]" 2
684 2 96 ASP HA 2 97 PHE QD 5.000 . 5.000 3.834 3.834 3.834 . 0 0 "[ ]" 2
685 2 96 ASP QB 2 97 PHE QD 5.000 . 5.880 2.416 2.416 2.416 . 0 0 "[ ]" 2
686 2 97 PHE HA 2 97 PHE QD 3.300 . 3.300 2.869 2.869 2.869 . 0 0 "[ ]" 2
687 2 96 ASP HA 2 97 PHE QE 5.000 . 6.500 5.302 5.302 5.302 . 0 0 "[ ]" 2
688 2 94 TYR HA 2 97 PHE H 5.000 . 5.000 3.728 3.728 3.728 . 0 0 "[ ]" 2
689 2 95 GLU HA 2 97 PHE H 5.000 . 5.000 3.236 3.236 3.236 . 0 0 "[ ]" 2
690 2 96 ASP HA 2 97 PHE H 3.600 . 3.600 3.108 3.108 3.108 . 0 0 "[ ]" 2
691 2 96 ASP QB 2 97 PHE H 5.000 . 5.860 3.551 3.551 3.551 . 0 0 "[ ]" 2
692 2 96 ASP H 2 97 PHE H 3.300 . 3.300 2.610 2.610 2.610 . 0 0 "[ ]" 2
693 2 97 PHE H 2 97 PHE QB 3.300 . 3.920 2.227 2.227 2.227 . 0 0 "[ ]" 2
694 2 97 PHE H 2 98 ALA MB 5.000 . 6.530 4.098 4.098 4.098 . 0 0 "[ ]" 2
695 2 97 PHE H 2 98 ALA H 3.300 . 3.300 2.177 2.177 2.177 . 0 0 "[ ]" 2
696 1 54 ALA MB 2 98 ALA MB 3.300 . 6.360 3.701 3.701 3.701 . 0 0 "[ ]" 2
697 2 95 GLU HA 2 98 ALA H 5.000 . 5.000 3.688 3.688 3.688 . 0 0 "[ ]" 2
698 2 97 PHE HA 2 98 ALA H 3.600 . 3.600 3.481 3.481 3.481 . 0 0 "[ ]" 2
699 2 98 ALA H 2 98 ALA MB 2.700 . 3.890 2.378 2.378 2.378 . 0 0 "[ ]" 2
700 1 54 ALA MB 2 99 LYS H 6.000 3.000 7.530 6.054 6.054 6.054 . 0 0 "[ ]" 2
701 2 96 ASP HA 2 99 LYS H 5.000 . 5.000 4.479 4.479 4.479 . 0 0 "[ ]" 2
702 2 98 ALA HA 2 99 LYS H 3.600 . 3.600 3.549 3.549 3.549 . 0 0 "[ ]" 2
703 2 98 ALA MB 2 99 LYS H 3.300 . 4.770 2.504 2.504 2.504 . 0 0 "[ ]" 2
704 2 98 ALA H 2 99 LYS H 3.300 . 3.300 2.088 2.088 2.088 . 0 0 "[ ]" 2
705 2 99 LYS H 2 99 LYS QD 5.000 . 5.880 5.318 5.318 5.318 . 0 0 "[ ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 3.189
_Distance_constraint_stats_list.Viol_max 0.343
_Distance_constraint_stats_list.Viol_rms 0.0717
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0443
_Distance_constraint_stats_list.Viol_average_violations_only 0.0966
_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 2 ASN 0.135 0.085 1 0 "[ ]"
1 3 LYS 0.000 0.000 . 0 "[ ]"
1 4 THR 0.071 0.071 1 0 "[ ]"
1 5 GLU 0.000 0.000 . 0 "[ ]"
1 6 LEU 0.135 0.085 1 0 "[ ]"
1 7 ILE 0.153 0.153 1 0 "[ ]"
1 8 LYS 0.217 0.146 1 0 "[ ]"
1 9 ALA 0.000 0.000 . 0 "[ ]"
1 10 ILE 0.000 0.000 . 0 "[ ]"
1 11 ALA 0.153 0.153 1 0 "[ ]"
1 12 GLN 0.146 0.146 1 0 "[ ]"
1 17 THR 0.136 0.108 1 0 "[ ]"
1 18 GLN 0.000 0.000 . 0 "[ ]"
1 19 VAL 0.000 0.000 . 0 "[ ]"
1 20 SER 0.117 0.089 1 0 "[ ]"
1 21 VAL 0.136 0.108 1 0 "[ ]"
1 22 SER 0.028 0.028 1 0 "[ ]"
1 23 LYS 0.000 0.000 . 0 "[ ]"
1 24 MET 0.130 0.089 1 0 "[ ]"
1 25 LEU 0.177 0.157 1 0 "[ ]"
1 26 ALA 0.028 0.028 1 0 "[ ]"
1 27 SER 0.000 0.000 . 0 "[ ]"
1 28 PHE 0.017 0.012 1 0 "[ ]"
1 29 GLU 0.314 0.157 1 0 "[ ]"
1 31 ILE 0.000 0.000 . 0 "[ ]"
1 32 THR 0.005 0.005 1 0 "[ ]"
1 33 THR 0.221 0.121 1 0 "[ ]"
1 34 GLU 0.164 0.130 1 0 "[ ]"
1 35 THR 0.000 0.000 . 0 "[ ]"
1 36 VAL 0.365 0.343 1 0 "[ ]"
1 37 ALA 0.084 0.084 1 0 "[ ]"
1 38 LYS 0.164 0.130 1 0 "[ ]"
1 39 GLY 0.000 0.000 . 0 "[ ]"
1 40 ASP 0.365 0.343 1 0 "[ ]"
1 42 VAL 0.129 0.089 1 0 "[ ]"
1 44 LEU 0.246 0.157 1 0 "[ ]"
1 48 LEU 0.246 0.157 1 0 "[ ]"
1 49 ASN 0.127 0.127 1 0 "[ ]"
1 50 ILE 0.129 0.089 1 0 "[ ]"
1 51 LYS 0.000 0.000 . 0 "[ ]"
1 53 VAL 0.156 0.156 1 0 "[ ]"
1 55 ARG 0.454 0.325 1 0 "[ ]"
1 74 SER 0.454 0.325 1 0 "[ ]"
1 76 GLY 0.156 0.156 1 0 "[ ]"
1 78 SER 0.000 0.000 . 0 "[ ]"
1 80 LYS 0.127 0.127 1 0 "[ ]"
1 82 GLY 0.160 0.108 1 0 "[ ]"
1 83 GLU 0.000 0.000 . 0 "[ ]"
1 84 SER 0.128 0.128 1 0 "[ ]"
1 85 LEU 0.057 0.057 1 0 "[ ]"
1 86 LYS 0.160 0.108 1 0 "[ ]"
1 87 LYS 0.000 0.000 . 0 "[ ]"
1 88 ALA 0.128 0.128 1 0 "[ ]"
1 89 ALA 0.057 0.057 1 0 "[ ]"
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 ASN O 1 6 LEU H 2.300 . 2.300 2.385 2.385 2.385 0.085 1 0 "[ ]" 3
2 1 2 ASN O 1 6 LEU N 3.300 2.400 3.300 3.350 3.350 3.350 0.050 1 0 "[ ]" 3
3 1 3 LYS O 1 7 ILE H 2.300 . 2.300 2.227 2.227 2.227 . 0 0 "[ ]" 3
4 1 3 LYS O 1 7 ILE N 3.300 2.400 3.300 2.959 2.959 2.959 . 0 0 "[ ]" 3
5 1 4 THR O 1 8 LYS H 2.300 . 2.300 2.371 2.371 2.371 0.071 1 0 "[ ]" 3
6 1 4 THR O 1 8 LYS N 3.300 2.400 3.300 3.260 3.260 3.260 . 0 0 "[ ]" 3
7 1 5 GLU O 1 9 ALA H 2.300 . 2.300 2.295 2.295 2.295 . 0 0 "[ ]" 3
8 1 5 GLU O 1 9 ALA N 3.300 2.400 3.300 3.002 3.002 3.002 . 0 0 "[ ]" 3
9 1 6 LEU O 1 10 ILE H 2.300 . 2.300 2.233 2.233 2.233 . 0 0 "[ ]" 3
10 1 6 LEU O 1 10 ILE N 3.300 2.400 3.300 2.990 2.990 2.990 . 0 0 "[ ]" 3
11 1 7 ILE O 1 11 ALA H 2.300 . 2.300 2.453 2.453 2.453 0.153 1 0 "[ ]" 3
12 1 7 ILE O 1 11 ALA N 3.300 2.400 3.300 3.204 3.204 3.204 . 0 0 "[ ]" 3
13 1 8 LYS O 1 12 GLN H 2.300 . 2.300 2.446 2.446 2.446 0.146 1 0 "[ ]" 3
14 1 8 LYS O 1 12 GLN N 3.300 2.400 3.300 3.218 3.218 3.218 . 0 0 "[ ]" 3
15 1 17 THR O 1 21 VAL H 2.300 . 2.300 2.408 2.408 2.408 0.108 1 0 "[ ]" 3
16 1 17 THR O 1 21 VAL N 3.300 2.400 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 3
17 1 18 GLN O 1 22 SER H 2.300 . 2.300 2.187 2.187 2.187 . 0 0 "[ ]" 3
18 1 18 GLN O 1 22 SER N 3.300 2.400 3.300 2.992 2.992 2.992 . 0 0 "[ ]" 3
19 1 19 VAL O 1 23 LYS H 2.300 . 2.300 2.243 2.243 2.243 . 0 0 "[ ]" 3
20 1 19 VAL O 1 23 LYS N 3.300 2.400 3.300 3.154 3.154 3.154 . 0 0 "[ ]" 3
21 1 20 SER O 1 24 MET H 2.300 . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3
22 1 20 SER O 1 24 MET N 3.300 2.400 3.300 3.329 3.329 3.329 0.029 1 0 "[ ]" 3
23 1 21 VAL O 1 25 LEU H 2.300 . 2.300 2.203 2.203 2.203 . 0 0 "[ ]" 3
24 1 21 VAL O 1 25 LEU N 3.300 2.400 3.300 2.922 2.922 2.922 . 0 0 "[ ]" 3
25 1 22 SER O 1 26 ALA H 2.300 . 2.300 2.328 2.328 2.328 0.028 1 0 "[ ]" 3
26 1 22 SER O 1 26 ALA N 3.300 2.400 3.300 3.277 3.277 3.277 . 0 0 "[ ]" 3
27 1 23 LYS O 1 27 SER H 2.300 . 2.300 2.212 2.212 2.212 . 0 0 "[ ]" 3
28 1 23 LYS O 1 27 SER N 3.300 2.400 3.300 2.897 2.897 2.897 . 0 0 "[ ]" 3
29 1 24 MET O 1 28 PHE H 2.300 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 3
30 1 24 MET O 1 28 PHE N 3.300 2.400 3.300 3.080 3.080 3.080 . 0 0 "[ ]" 3
31 1 25 LEU O 1 29 GLU H 2.300 . 2.300 2.457 2.457 2.457 0.157 1 0 "[ ]" 3
32 1 25 LEU O 1 29 GLU N 3.300 2.400 3.300 3.320 3.320 3.320 0.020 1 0 "[ ]" 3
33 1 27 SER O 1 31 ILE H 2.300 . 2.300 2.211 2.211 2.211 . 0 0 "[ ]" 3
34 1 27 SER O 1 31 ILE N 3.300 2.400 3.300 2.575 2.575 2.575 . 0 0 "[ ]" 3
35 1 28 PHE O 1 32 THR H 2.300 . 2.300 2.305 2.305 2.305 0.005 1 0 "[ ]" 3
36 1 28 PHE O 1 32 THR N 3.300 2.400 3.300 3.273 3.273 3.273 . 0 0 "[ ]" 3
37 1 29 GLU O 1 33 THR H 2.300 . 2.300 2.421 2.421 2.421 0.121 1 0 "[ ]" 3
38 1 29 GLU O 1 33 THR N 3.300 2.400 3.300 3.316 3.316 3.316 0.016 1 0 "[ ]" 3
39 1 32 THR O 1 36 VAL H 2.300 . 2.300 2.117 2.117 2.117 . 0 0 "[ ]" 3
40 1 32 THR O 1 36 VAL N 3.300 2.400 3.300 2.826 2.826 2.826 . 0 0 "[ ]" 3
41 1 33 THR O 1 37 ALA H 2.300 . 2.300 2.384 2.384 2.384 0.084 1 0 "[ ]" 3
42 1 33 THR O 1 37 ALA N 3.300 2.400 3.300 3.249 3.249 3.249 . 0 0 "[ ]" 3
43 1 34 GLU O 1 38 LYS H 2.300 . 2.300 2.430 2.430 2.430 0.130 1 0 "[ ]" 3
44 1 34 GLU O 1 38 LYS N 3.300 2.400 3.300 3.334 3.334 3.334 0.034 1 0 "[ ]" 3
45 1 35 THR O 1 39 GLY H 2.300 . 2.300 2.146 2.146 2.146 . 0 0 "[ ]" 3
46 1 35 THR O 1 39 GLY N 3.300 2.400 3.300 2.529 2.529 2.529 . 0 0 "[ ]" 3
47 1 36 VAL O 1 40 ASP H 2.300 . 2.300 2.643 2.643 2.643 0.343 1 0 "[ ]" 3
48 1 36 VAL O 1 40 ASP N 3.300 2.400 3.300 3.322 3.322 3.322 0.022 1 0 "[ ]" 3
49 1 42 VAL H 1 50 ILE O 2.300 . 2.300 2.389 2.389 2.389 0.089 1 0 "[ ]" 3
50 1 42 VAL N 1 50 ILE O 3.300 2.400 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 3
51 1 44 LEU O 1 48 LEU H 2.300 . 2.300 2.457 2.457 2.457 0.157 1 0 "[ ]" 3
52 1 44 LEU O 1 48 LEU N 3.300 2.400 3.300 3.389 3.389 3.389 0.089 1 0 "[ ]" 3
53 1 49 ASN H 1 80 LYS O 2.300 . 2.300 2.427 2.427 2.427 0.127 1 0 "[ ]" 3
54 1 49 ASN N 1 80 LYS O 3.300 2.400 3.300 3.204 3.204 3.204 . 0 0 "[ ]" 3
55 1 51 LYS H 1 78 SER O 2.300 . 2.300 2.259 2.259 2.259 . 0 0 "[ ]" 3
56 1 51 LYS N 1 78 SER O 3.300 2.400 3.300 2.957 2.957 2.957 . 0 0 "[ ]" 3
57 1 53 VAL H 1 76 GLY O 2.300 . 2.300 2.456 2.456 2.456 0.156 1 0 "[ ]" 3
58 1 53 VAL N 1 76 GLY O 3.300 2.400 3.300 3.241 3.241 3.241 . 0 0 "[ ]" 3
59 1 55 ARG H 1 74 SER O 2.300 . 2.300 2.625 2.625 2.625 0.325 1 0 "[ ]" 3
60 1 55 ARG N 1 74 SER O 3.300 2.400 3.300 3.430 3.430 3.430 0.130 1 0 "[ ]" 3
61 1 51 LYS O 1 78 SER H 2.300 . 2.300 2.245 2.245 2.245 . 0 0 "[ ]" 3
62 1 51 LYS O 1 78 SER N 3.300 2.400 3.300 3.088 3.088 3.088 . 0 0 "[ ]" 3
63 1 49 ASN O 1 80 LYS H 2.300 . 2.300 2.249 2.249 2.249 . 0 0 "[ ]" 3
64 1 49 ASN O 1 80 LYS N 3.300 2.400 3.300 3.152 3.152 3.152 . 0 0 "[ ]" 3
65 1 82 GLY O 1 86 LYS H 2.300 . 2.300 2.408 2.408 2.408 0.108 1 0 "[ ]" 3
66 1 82 GLY O 1 86 LYS N 3.300 2.400 3.300 3.352 3.352 3.352 0.052 1 0 "[ ]" 3
67 1 83 GLU O 1 87 LYS H 2.300 . 2.300 2.220 2.220 2.220 . 0 0 "[ ]" 3
68 1 83 GLU O 1 87 LYS N 3.300 2.400 3.300 2.766 2.766 2.766 . 0 0 "[ ]" 3
69 1 84 SER O 1 88 ALA H 2.300 . 2.300 2.428 2.428 2.428 0.128 1 0 "[ ]" 3
70 1 84 SER O 1 88 ALA N 3.300 2.400 3.300 3.293 3.293 3.293 . 0 0 "[ ]" 3
71 1 85 LEU O 1 89 ALA H 2.300 . 2.300 2.357 2.357 2.357 0.057 1 0 "[ ]" 3
72 1 85 LEU O 1 89 ALA N 3.300 2.400 3.300 3.255 3.255 3.255 . 0 0 "[ ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 33
_Distance_constraint_stats_list.Viol_total 2.946
_Distance_constraint_stats_list.Viol_max 0.380
_Distance_constraint_stats_list.Viol_rms 0.0695
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0409
_Distance_constraint_stats_list.Viol_average_violations_only 0.0893
_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
2 2 ASN 0.100 0.069 1 0 "[ ]"
2 3 LYS 0.000 0.000 . 0 "[ ]"
2 4 THR 0.085 0.085 1 0 "[ ]"
2 5 GLU 0.000 0.000 . 0 "[ ]"
2 6 LEU 0.100 0.069 1 0 "[ ]"
2 7 ILE 0.078 0.078 1 0 "[ ]"
2 8 LYS 0.263 0.178 1 0 "[ ]"
2 9 ALA 0.000 0.000 . 0 "[ ]"
2 10 ILE 0.000 0.000 . 0 "[ ]"
2 11 ALA 0.078 0.078 1 0 "[ ]"
2 12 GLN 0.178 0.178 1 0 "[ ]"
2 17 THR 0.000 0.000 . 0 "[ ]"
2 18 GLN 0.000 0.000 . 0 "[ ]"
2 19 VAL 0.118 0.086 1 0 "[ ]"
2 20 SER 0.059 0.054 1 0 "[ ]"
2 21 VAL 0.145 0.105 1 0 "[ ]"
2 22 SER 0.111 0.067 1 0 "[ ]"
2 23 LYS 0.118 0.086 1 0 "[ ]"
2 24 MET 0.059 0.054 1 0 "[ ]"
2 25 LEU 0.383 0.151 1 0 "[ ]"
2 26 ALA 0.111 0.067 1 0 "[ ]"
2 27 SER 0.000 0.000 . 0 "[ ]"
2 28 PHE 0.000 0.000 . 0 "[ ]"
2 29 GLU 0.375 0.151 1 0 "[ ]"
2 31 ILE 0.000 0.000 . 0 "[ ]"
2 32 THR 0.000 0.000 . 0 "[ ]"
2 33 THR 0.269 0.137 1 0 "[ ]"
2 34 GLU 0.202 0.124 1 0 "[ ]"
2 35 THR 0.000 0.000 . 0 "[ ]"
2 36 VAL 0.286 0.270 1 0 "[ ]"
2 37 ALA 0.132 0.109 1 0 "[ ]"
2 38 LYS 0.202 0.124 1 0 "[ ]"
2 39 GLY 0.000 0.000 . 0 "[ ]"
2 40 ASP 0.286 0.270 1 0 "[ ]"
2 42 VAL 0.029 0.029 1 0 "[ ]"
2 44 LEU 0.117 0.112 1 0 "[ ]"
2 48 LEU 0.117 0.112 1 0 "[ ]"
2 49 ASN 0.159 0.159 1 0 "[ ]"
2 50 ILE 0.029 0.029 1 0 "[ ]"
2 51 LYS 0.000 0.000 . 0 "[ ]"
2 53 VAL 0.027 0.027 1 0 "[ ]"
2 55 ARG 0.516 0.380 1 0 "[ ]"
2 74 SER 0.516 0.380 1 0 "[ ]"
2 76 GLY 0.027 0.027 1 0 "[ ]"
2 78 SER 0.000 0.000 . 0 "[ ]"
2 80 LYS 0.159 0.159 1 0 "[ ]"
2 82 GLY 0.102 0.074 1 0 "[ ]"
2 83 GLU 0.000 0.000 . 0 "[ ]"
2 84 SER 0.126 0.122 1 0 "[ ]"
2 85 LEU 0.000 0.000 . 0 "[ ]"
2 86 LYS 0.102 0.074 1 0 "[ ]"
2 87 LYS 0.000 0.000 . 0 "[ ]"
2 88 ALA 0.126 0.122 1 0 "[ ]"
2 89 ALA 0.000 0.000 . 0 "[ ]"
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 2 2 ASN O 2 6 LEU H 2.300 . 2.300 2.369 2.369 2.369 0.069 1 0 "[ ]" 4
2 2 2 ASN O 2 6 LEU N 3.300 2.400 3.300 3.331 3.331 3.331 0.031 1 0 "[ ]" 4
3 2 3 LYS O 2 7 ILE H 2.300 . 2.300 2.240 2.240 2.240 . 0 0 "[ ]" 4
4 2 3 LYS O 2 7 ILE N 3.300 2.400 3.300 3.097 3.097 3.097 . 0 0 "[ ]" 4
5 2 4 THR O 2 8 LYS H 2.300 . 2.300 2.385 2.385 2.385 0.085 1 0 "[ ]" 4
6 2 4 THR O 2 8 LYS N 3.300 2.400 3.300 3.255 3.255 3.255 . 0 0 "[ ]" 4
7 2 5 GLU O 2 9 ALA H 2.300 . 2.300 2.244 2.244 2.244 . 0 0 "[ ]" 4
8 2 5 GLU O 2 9 ALA N 3.300 2.400 3.300 3.118 3.118 3.118 . 0 0 "[ ]" 4
9 2 6 LEU O 2 10 ILE H 2.300 . 2.300 2.158 2.158 2.158 . 0 0 "[ ]" 4
10 2 6 LEU O 2 10 ILE N 3.300 2.400 3.300 2.971 2.971 2.971 . 0 0 "[ ]" 4
11 2 7 ILE O 2 11 ALA H 2.300 . 2.300 2.378 2.378 2.378 0.078 1 0 "[ ]" 4
12 2 7 ILE O 2 11 ALA N 3.300 2.400 3.300 3.176 3.176 3.176 . 0 0 "[ ]" 4
13 2 8 LYS O 2 12 GLN H 2.300 . 2.300 2.478 2.478 2.478 0.178 1 0 "[ ]" 4
14 2 8 LYS O 2 12 GLN N 3.300 2.400 3.300 3.273 3.273 3.273 . 0 0 "[ ]" 4
15 2 17 THR O 2 21 VAL H 2.300 . 2.300 2.228 2.228 2.228 . 0 0 "[ ]" 4
16 2 17 THR O 2 21 VAL N 3.300 2.400 3.300 3.113 3.113 3.113 . 0 0 "[ ]" 4
17 2 18 GLN O 2 22 SER H 2.300 . 2.300 2.219 2.219 2.219 . 0 0 "[ ]" 4
18 2 18 GLN O 2 22 SER N 3.300 2.400 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 4
19 2 19 VAL O 2 23 LYS H 2.300 . 2.300 2.386 2.386 2.386 0.086 1 0 "[ ]" 4
20 2 19 VAL O 2 23 LYS N 3.300 2.400 3.300 3.333 3.333 3.333 0.033 1 0 "[ ]" 4
21 2 20 SER O 2 24 MET H 2.300 . 2.300 2.354 2.354 2.354 0.054 1 0 "[ ]" 4
22 2 20 SER O 2 24 MET N 3.300 2.400 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 4
23 2 21 VAL O 2 25 LEU H 2.300 . 2.300 2.405 2.405 2.405 0.105 1 0 "[ ]" 4
24 2 21 VAL O 2 25 LEU N 3.300 2.400 3.300 3.340 3.340 3.340 0.040 1 0 "[ ]" 4
25 2 22 SER O 2 26 ALA H 2.300 . 2.300 2.367 2.367 2.367 0.067 1 0 "[ ]" 4
26 2 22 SER O 2 26 ALA N 3.300 2.400 3.300 3.344 3.344 3.344 0.044 1 0 "[ ]" 4
27 2 23 LYS O 2 27 SER H 2.300 . 2.300 2.189 2.189 2.189 . 0 0 "[ ]" 4
28 2 23 LYS O 2 27 SER N 3.300 2.400 3.300 2.711 2.711 2.711 . 0 0 "[ ]" 4
29 2 24 MET O 2 28 PHE H 2.300 . 2.300 2.242 2.242 2.242 . 0 0 "[ ]" 4
30 2 24 MET O 2 28 PHE N 3.300 2.400 3.300 2.950 2.950 2.950 . 0 0 "[ ]" 4
31 2 25 LEU O 2 29 GLU H 2.300 . 2.300 2.451 2.451 2.451 0.151 1 0 "[ ]" 4
32 2 25 LEU O 2 29 GLU N 3.300 2.400 3.300 3.387 3.387 3.387 0.087 1 0 "[ ]" 4
33 2 27 SER O 2 31 ILE H 2.300 . 2.300 2.212 2.212 2.212 . 0 0 "[ ]" 4
34 2 27 SER O 2 31 ILE N 3.300 2.400 3.300 2.867 2.867 2.867 . 0 0 "[ ]" 4
35 2 28 PHE O 2 32 THR H 2.300 . 2.300 2.226 2.226 2.226 . 0 0 "[ ]" 4
36 2 28 PHE O 2 32 THR N 3.300 2.400 3.300 3.196 3.196 3.196 . 0 0 "[ ]" 4
37 2 29 GLU O 2 33 THR H 2.300 . 2.300 2.437 2.437 2.437 0.137 1 0 "[ ]" 4
38 2 29 GLU O 2 33 THR N 3.300 2.400 3.300 3.278 3.278 3.278 . 0 0 "[ ]" 4
39 2 32 THR O 2 36 VAL H 2.300 . 2.300 2.143 2.143 2.143 . 0 0 "[ ]" 4
40 2 32 THR O 2 36 VAL N 3.300 2.400 3.300 2.809 2.809 2.809 . 0 0 "[ ]" 4
41 2 33 THR O 2 37 ALA H 2.300 . 2.300 2.409 2.409 2.409 0.109 1 0 "[ ]" 4
42 2 33 THR O 2 37 ALA N 3.300 2.400 3.300 3.323 3.323 3.323 0.023 1 0 "[ ]" 4
43 2 34 GLU O 2 38 LYS H 2.300 . 2.300 2.424 2.424 2.424 0.124 1 0 "[ ]" 4
44 2 34 GLU O 2 38 LYS N 3.300 2.400 3.300 3.378 3.378 3.378 0.078 1 0 "[ ]" 4
45 2 35 THR O 2 39 GLY H 2.300 . 2.300 2.157 2.157 2.157 . 0 0 "[ ]" 4
46 2 35 THR O 2 39 GLY N 3.300 2.400 3.300 2.548 2.548 2.548 . 0 0 "[ ]" 4
47 2 36 VAL O 2 40 ASP H 2.300 . 2.300 2.570 2.570 2.570 0.270 1 0 "[ ]" 4
48 2 36 VAL O 2 40 ASP N 3.300 2.400 3.300 3.315 3.315 3.315 0.015 1 0 "[ ]" 4
49 2 42 VAL H 2 50 ILE O 2.300 . 2.300 2.329 2.329 2.329 0.029 1 0 "[ ]" 4
50 2 42 VAL N 2 50 ILE O 3.300 2.400 3.300 3.239 3.239 3.239 . 0 0 "[ ]" 4
51 2 44 LEU O 2 48 LEU H 2.300 . 2.300 2.412 2.412 2.412 0.112 1 0 "[ ]" 4
52 2 44 LEU O 2 48 LEU N 3.300 2.400 3.300 3.305 3.305 3.305 0.005 1 0 "[ ]" 4
53 2 49 ASN H 2 80 LYS O 2.300 . 2.300 2.459 2.459 2.459 0.159 1 0 "[ ]" 4
54 2 49 ASN N 2 80 LYS O 3.300 2.400 3.300 3.207 3.207 3.207 . 0 0 "[ ]" 4
55 2 51 LYS H 2 78 SER O 2.300 . 2.300 2.241 2.241 2.241 . 0 0 "[ ]" 4
56 2 51 LYS N 2 78 SER O 3.300 2.400 3.300 2.881 2.881 2.881 . 0 0 "[ ]" 4
57 2 53 VAL H 2 76 GLY O 2.300 . 2.300 2.327 2.327 2.327 0.027 1 0 "[ ]" 4
58 2 53 VAL N 2 76 GLY O 3.300 2.400 3.300 3.264 3.264 3.264 . 0 0 "[ ]" 4
59 2 55 ARG H 2 74 SER O 2.300 . 2.300 2.680 2.680 2.680 0.380 1 0 "[ ]" 4
60 2 55 ARG N 2 74 SER O 3.300 2.400 3.300 3.436 3.436 3.436 0.136 1 0 "[ ]" 4
61 2 51 LYS O 2 78 SER H 2.300 . 2.300 2.229 2.229 2.229 . 0 0 "[ ]" 4
62 2 51 LYS O 2 78 SER N 3.300 2.400 3.300 2.993 2.993 2.993 . 0 0 "[ ]" 4
63 2 49 ASN O 2 80 LYS H 2.300 . 2.300 2.219 2.219 2.219 . 0 0 "[ ]" 4
64 2 49 ASN O 2 80 LYS N 3.300 2.400 3.300 3.155 3.155 3.155 . 0 0 "[ ]" 4
65 2 82 GLY O 2 86 LYS H 2.300 . 2.300 2.374 2.374 2.374 0.074 1 0 "[ ]" 4
66 2 82 GLY O 2 86 LYS N 3.300 2.400 3.300 3.328 3.328 3.328 0.028 1 0 "[ ]" 4
67 2 83 GLU O 2 87 LYS H 2.300 . 2.300 2.232 2.232 2.232 . 0 0 "[ ]" 4
68 2 83 GLU O 2 87 LYS N 3.300 2.400 3.300 3.207 3.207 3.207 . 0 0 "[ ]" 4
69 2 84 SER O 2 88 ALA H 2.300 . 2.300 2.422 2.422 2.422 0.122 1 0 "[ ]" 4
70 2 84 SER O 2 88 ALA N 3.300 2.400 3.300 3.304 3.304 3.304 0.004 1 0 "[ ]" 4
71 2 85 LEU O 2 89 ALA H 2.300 . 2.300 2.288 2.288 2.288 . 0 0 "[ ]" 4
72 2 85 LEU O 2 89 ALA N 3.300 2.400 3.300 3.219 3.219 3.219 . 0 0 "[ ]" 4
stop_
save_
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