NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
484183 |
2ge9   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ge9
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 760
_Distance_constraint_stats_list.Viol_count 1266
_Distance_constraint_stats_list.Viol_total 1705.913
_Distance_constraint_stats_list.Viol_max 0.234
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.158 0.077 9 0 "[ . 1 . 2]"
1 5 GLU 0.158 0.077 9 0 "[ . 1 . 2]"
1 6 ASP 1.196 0.090 16 0 "[ . 1 . 2]"
1 7 SER 0.023 0.022 4 0 "[ . 1 . 2]"
1 8 ILE 0.156 0.060 6 0 "[ . 1 . 2]"
1 9 GLU 0.907 0.147 6 0 "[ . 1 . 2]"
1 10 MET 1.596 0.179 16 0 "[ . 1 . 2]"
1 11 TYR 0.983 0.178 10 0 "[ . 1 . 2]"
1 12 GLU 0.028 0.027 20 0 "[ . 1 . 2]"
1 13 TRP 1.834 0.175 5 0 "[ . 1 . 2]"
1 14 TYR 1.691 0.175 5 0 "[ . 1 . 2]"
1 15 SER 1.399 0.074 18 0 "[ . 1 . 2]"
1 16 LYS 0.669 0.069 4 0 "[ . 1 . 2]"
1 17 HIS 1.847 0.166 3 0 "[ . 1 . 2]"
1 18 MET 2.542 0.166 3 0 "[ . 1 . 2]"
1 19 THR 0.018 0.012 2 0 "[ . 1 . 2]"
1 20 ARG 0.422 0.054 13 0 "[ . 1 . 2]"
1 21 SER 0.422 0.054 13 0 "[ . 1 . 2]"
1 22 GLN 4.469 0.168 14 0 "[ . 1 . 2]"
1 23 ALA 4.218 0.116 12 0 "[ . 1 . 2]"
1 24 GLU 1.919 0.078 5 0 "[ . 1 . 2]"
1 25 GLN 3.497 0.108 6 0 "[ . 1 . 2]"
1 26 LEU 9.499 0.168 14 0 "[ . 1 . 2]"
1 27 LEU 1.649 0.096 13 0 "[ . 1 . 2]"
1 28 LYS 2.168 0.108 6 0 "[ . 1 . 2]"
1 29 GLN 0.732 0.057 16 0 "[ . 1 . 2]"
1 30 GLU 7.012 0.194 17 0 "[ . 1 . 2]"
1 31 GLY 5.005 0.194 17 0 "[ . 1 . 2]"
1 32 LYS 0.215 0.091 16 0 "[ . 1 . 2]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 3.021 0.166 8 0 "[ . 1 . 2]"
1 35 GLY 3.508 0.222 2 0 "[ . 1 . 2]"
1 36 PHE 1.673 0.148 14 0 "[ . 1 . 2]"
1 37 ILE 0.765 0.148 14 0 "[ . 1 . 2]"
1 38 VAL 0.148 0.051 7 0 "[ . 1 . 2]"
1 39 ARG 0.037 0.016 3 0 "[ . 1 . 2]"
1 40 ASP 1.154 0.142 15 0 "[ . 1 . 2]"
1 41 SER 0.076 0.013 10 0 "[ . 1 . 2]"
1 42 SER 0.507 0.036 20 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ALA 0.507 0.036 20 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 TYR 0.076 0.013 10 0 "[ . 1 . 2]"
1 48 THR 0.191 0.028 7 0 "[ . 1 . 2]"
1 49 VAL 2.306 0.158 5 0 "[ . 1 . 2]"
1 50 SER 0.024 0.023 17 0 "[ . 1 . 2]"
1 51 VAL 0.032 0.016 6 0 "[ . 1 . 2]"
1 52 PHE 3.284 0.222 2 0 "[ . 1 . 2]"
1 53 ALA 0.805 0.062 19 0 "[ . 1 . 2]"
1 54 LYS 1.315 0.096 12 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 1.740 0.164 19 0 "[ . 1 . 2]"
1 57 GLY 0.429 0.102 19 0 "[ . 1 . 2]"
1 58 ASP 3.404 0.142 10 0 "[ . 1 . 2]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 1.315 0.096 12 0 "[ . 1 . 2]"
1 61 GLY 2.126 0.134 11 0 "[ . 1 . 2]"
1 62 VAL 1.310 0.100 10 0 "[ . 1 . 2]"
1 63 ILE 5.173 0.234 20 0 "[ . 1 . 2]"
1 64 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 HIS 0.163 0.024 5 0 "[ . 1 . 2]"
1 66 TYR 0.024 0.023 17 0 "[ . 1 . 2]"
1 67 VAL 3.328 0.158 5 0 "[ . 1 . 2]"
1 68 VAL 0.008 0.008 19 0 "[ . 1 . 2]"
1 69 CYS 0.025 0.013 16 0 "[ . 1 . 2]"
1 70 SER 0.786 0.115 18 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 TYR 6.541 0.214 18 0 "[ . 1 . 2]"
1 77 TYR 2.154 0.130 3 0 "[ . 1 . 2]"
1 78 LEU 0.839 0.059 13 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLU 1.362 0.072 15 0 "[ . 1 . 2]"
1 81 LYS 1.362 0.072 15 0 "[ . 1 . 2]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 7.594 0.214 18 0 "[ . 1 . 2]"
1 84 PHE 0.165 0.029 10 0 "[ . 1 . 2]"
1 85 SER 1.050 0.067 5 0 "[ . 1 . 2]"
1 86 THR 0.130 0.050 5 0 "[ . 1 . 2]"
1 87 ILE 0.154 0.099 8 0 "[ . 1 . 2]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.030 0.010 13 0 "[ . 1 . 2]"
1 90 LEU 1.124 0.130 3 0 "[ . 1 . 2]"
1 91 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 0.030 0.010 13 0 "[ . 1 . 2]"
1 93 TYR 0.000 0.000 17 0 "[ . 1 . 2]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 HIS 0.155 0.059 19 0 "[ . 1 . 2]"
1 97 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 TYR 1.113 0.087 2 0 "[ . 1 . 2]"
1 108 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 VAL 1.582 0.164 5 0 "[ . 1 . 2]"
1 110 SER 0.150 0.043 19 0 "[ . 1 . 2]"
1 111 GLN 1.981 0.163 8 0 "[ . 1 . 2]"
1 112 GLN 1.198 0.151 18 0 "[ . 1 . 2]"
1 113 ASN 2.619 0.176 13 0 "[ . 1 . 2]"
1 114 LYS 2.255 0.130 18 0 "[ . 1 . 2]"
1 115 ASN 1.606 0.111 8 0 "[ . 1 . 2]"
1 116 ALA 0.259 0.064 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR HA 1 2 THR MG 2.800 . 2.800 2.176 1.999 2.286 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLU H 1 3 GLU QG 5.000 . 5.000 3.383 2.018 4.218 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLU H 1 5 GLU QG 5.000 . 5.000 2.220 1.933 2.446 . 0 0 "[ . 1 . 2]" 1
4 1 6 ASP HA 1 6 ASP HB3 2.800 . 2.800 2.680 2.425 2.890 0.090 16 0 "[ . 1 . 2]" 1
5 1 6 ASP HA 1 6 ASP HB2 2.800 . 2.800 2.688 2.460 2.872 0.072 18 0 "[ . 1 . 2]" 1
6 1 7 SER HA 1 7 SER HB3 2.800 . 2.800 2.536 2.306 2.801 0.001 1 0 "[ . 1 . 2]" 1
7 1 8 ILE H 1 8 ILE HB 2.800 . 2.800 2.573 2.205 2.860 0.060 6 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 9 GLU HA 2.800 . 2.800 2.732 2.352 2.947 0.147 6 0 "[ . 1 . 2]" 1
9 1 9 GLU H 1 9 GLU QG 2.800 . 2.800 2.313 1.984 2.640 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLU HA 1 9 GLU QG 2.800 . 2.800 2.288 2.135 2.420 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLU HB3 1 9 GLU QG 2.800 . 2.800 2.411 2.197 2.541 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLU HB2 1 9 GLU QG 2.800 . 2.800 2.320 2.188 2.531 . 0 0 "[ . 1 . 2]" 1
13 1 10 MET H 1 10 MET HA 2.800 . 2.800 2.747 2.354 2.979 0.179 16 0 "[ . 1 . 2]" 1
14 1 10 MET H 1 10 MET QB 3.600 . 3.600 3.178 2.366 3.352 . 0 0 "[ . 1 . 2]" 1
15 1 10 MET H 1 10 MET ME 2.800 . 2.800 1.958 1.823 2.138 . 0 0 "[ . 1 . 2]" 1
16 1 10 MET H 1 10 MET QG 5.000 . 5.000 2.415 2.058 3.271 . 0 0 "[ . 1 . 2]" 1
17 1 10 MET HA 1 10 MET QB 2.800 . 2.800 2.274 2.182 2.453 . 0 0 "[ . 1 . 2]" 1
18 1 10 MET HA 1 10 MET ME 5.000 . 5.000 3.313 1.930 4.068 . 0 0 "[ . 1 . 2]" 1
19 1 11 TYR H 1 11 TYR HA 2.800 . 2.800 2.824 2.339 2.978 0.178 10 0 "[ . 1 . 2]" 1
20 1 11 TYR H 1 11 TYR QD 3.600 . 3.600 2.504 1.956 3.335 . 0 0 "[ . 1 . 2]" 1
21 1 11 TYR H 1 11 TYR QE 5.000 . 5.000 4.389 4.007 4.815 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLU H 1 12 GLU QB 3.600 . 3.600 2.623 2.068 2.677 . 0 0 "[ . 1 . 2]" 1
23 1 12 GLU H 1 12 GLU QG 5.000 . 5.000 4.258 4.006 4.335 . 0 0 "[ . 1 . 2]" 1
24 1 12 GLU HA 1 12 GLU QG 3.600 . 3.600 2.333 2.003 2.642 . 0 0 "[ . 1 . 2]" 1
25 1 13 TRP H 1 13 TRP QB 3.600 . 3.600 2.392 2.314 2.440 . 0 0 "[ . 1 . 2]" 1
26 1 13 TRP H 1 13 TRP HD1 3.600 . 3.600 2.217 2.048 2.535 . 0 0 "[ . 1 . 2]" 1
27 1 13 TRP H 1 13 TRP HE1 5.000 . 5.000 4.218 4.133 4.507 . 0 0 "[ . 1 . 2]" 1
28 1 13 TRP HA 1 13 TRP HD1 5.000 . 5.000 4.373 4.295 4.541 . 0 0 "[ . 1 . 2]" 1
29 1 14 TYR HA 1 14 TYR QE 5.000 . 5.000 4.302 4.147 4.583 . 0 0 "[ . 1 . 2]" 1
30 1 16 LYS H 1 16 LYS QB 2.800 . 2.800 2.052 1.951 2.252 . 0 0 "[ . 1 . 2]" 1
31 1 16 LYS H 1 16 LYS QG 5.000 . 5.000 3.592 3.247 3.867 . 0 0 "[ . 1 . 2]" 1
32 1 16 LYS H 1 16 LYS QD 3.600 . 3.600 2.333 1.746 2.786 0.054 15 0 "[ . 1 . 2]" 1
33 1 16 LYS H 1 16 LYS QZ 5.000 . 5.000 3.636 3.399 4.053 . 0 0 "[ . 1 . 2]" 1
34 1 16 LYS H 1 16 LYS QE 5.000 . 5.000 4.290 3.769 4.539 . 0 0 "[ . 1 . 2]" 1
35 1 16 LYS HA 1 16 LYS QB 2.800 . 2.800 2.432 2.179 2.548 . 0 0 "[ . 1 . 2]" 1
36 1 16 LYS HA 1 16 LYS QD 3.600 . 3.600 2.576 2.136 3.378 . 0 0 "[ . 1 . 2]" 1
37 1 17 HIS H 1 17 HIS HA 2.800 . 2.800 2.374 2.345 2.856 0.056 15 0 "[ . 1 . 2]" 1
38 1 17 HIS H 1 17 HIS QB 3.600 . 3.600 3.243 3.141 3.306 . 0 0 "[ . 1 . 2]" 1
39 1 17 HIS H 1 17 HIS HD1 3.600 . 3.600 2.940 1.969 3.544 . 0 0 "[ . 1 . 2]" 1
40 1 17 HIS HA 1 17 HIS QB 2.800 . 2.800 2.393 2.197 2.467 . 0 0 "[ . 1 . 2]" 1
41 1 18 MET H 1 18 MET QG 5.000 . 5.000 3.868 2.236 4.016 . 0 0 "[ . 1 . 2]" 1
42 1 18 MET H 1 18 MET ME 5.000 . 5.000 3.891 3.673 4.091 . 0 0 "[ . 1 . 2]" 1
43 1 19 THR H 1 19 THR HB 2.800 . 2.800 2.656 2.551 2.778 . 0 0 "[ . 1 . 2]" 1
44 1 19 THR HA 1 19 THR MG 2.800 . 2.800 2.184 2.090 2.306 . 0 0 "[ . 1 . 2]" 1
45 1 20 ARG H 1 20 ARG QG 5.000 . 5.000 2.181 2.065 2.255 . 0 0 "[ . 1 . 2]" 1
46 1 20 ARG H 1 20 ARG QD 5.000 . 5.000 3.558 3.332 3.974 . 0 0 "[ . 1 . 2]" 1
47 1 20 ARG HA 1 20 ARG QG 3.600 . 3.600 3.319 3.317 3.323 . 0 0 "[ . 1 . 2]" 1
48 1 20 ARG HA 1 20 ARG QD 5.000 . 5.000 4.317 4.290 4.397 . 0 0 "[ . 1 . 2]" 1
49 1 21 SER H 1 21 SER QB 2.800 . 2.800 1.874 1.863 1.891 . 0 0 "[ . 1 . 2]" 1
50 1 21 SER HA 1 21 SER QB 2.800 . 2.800 2.185 2.181 2.191 . 0 0 "[ . 1 . 2]" 1
51 1 22 GLN H 1 22 GLN HA 2.800 . 2.800 2.859 2.844 2.871 0.071 4 0 "[ . 1 . 2]" 1
52 1 22 GLN H 1 22 GLN QB 3.600 . 3.600 2.198 2.166 2.242 . 0 0 "[ . 1 . 2]" 1
53 1 22 GLN H 1 22 GLN HG3 3.600 . 3.600 3.321 3.125 3.534 . 0 0 "[ . 1 . 2]" 1
54 1 22 GLN H 1 22 GLN HG2 2.800 . 2.800 2.476 2.275 2.566 . 0 0 "[ . 1 . 2]" 1
55 1 22 GLN H 1 22 GLN QE 5.000 . 5.000 4.236 4.211 4.316 . 0 0 "[ . 1 . 2]" 1
56 1 22 GLN HA 1 22 GLN QB 2.800 . 2.800 2.451 2.435 2.463 . 0 0 "[ . 1 . 2]" 1
57 1 22 GLN HA 1 22 GLN HG3 3.600 . 3.600 3.639 3.622 3.665 0.065 18 0 "[ . 1 . 2]" 1
58 1 22 GLN HA 1 22 GLN HG2 3.600 . 3.600 2.495 2.380 2.809 . 0 0 "[ . 1 . 2]" 1
59 1 22 GLN HA 1 22 GLN QE 5.000 . 5.000 2.521 1.909 3.375 . 0 0 "[ . 1 . 2]" 1
60 1 23 ALA H 1 23 ALA HA 2.800 . 2.800 2.861 2.843 2.888 0.088 20 0 "[ . 1 . 2]" 1
61 1 23 ALA H 1 23 ALA MB 2.800 . 2.800 1.990 1.938 2.104 . 0 0 "[ . 1 . 2]" 1
62 1 24 GLU H 1 24 GLU HB3 3.600 . 3.600 3.517 3.476 3.545 . 0 0 "[ . 1 . 2]" 1
63 1 24 GLU H 1 24 GLU HB2 3.600 . 3.600 2.288 2.146 2.447 . 0 0 "[ . 1 . 2]" 1
64 1 24 GLU H 1 24 GLU QG 5.000 . 5.000 2.300 1.937 2.652 . 0 0 "[ . 1 . 2]" 1
65 1 25 GLN H 1 25 GLN HA 2.800 . 2.800 2.858 2.846 2.871 0.071 19 0 "[ . 1 . 2]" 1
66 1 25 GLN H 1 25 GLN QB 3.600 . 3.600 2.453 2.238 2.559 . 0 0 "[ . 1 . 2]" 1
67 1 25 GLN H 1 25 GLN QG 3.600 . 3.600 1.931 1.847 2.423 . 0 0 "[ . 1 . 2]" 1
68 1 25 GLN HA 1 25 GLN QB 2.800 . 2.800 2.196 2.185 2.199 . 0 0 "[ . 1 . 2]" 1
69 1 26 LEU H 1 26 LEU HA 2.800 . 2.800 2.888 2.876 2.895 0.095 10 0 "[ . 1 . 2]" 1
70 1 26 LEU H 1 26 LEU QB 3.600 . 3.600 2.438 2.222 2.531 . 0 0 "[ . 1 . 2]" 1
71 1 26 LEU H 1 26 LEU HG 2.800 . 2.800 2.112 1.934 2.594 . 0 0 "[ . 1 . 2]" 1
72 1 26 LEU H 1 26 LEU QD 5.000 . 5.000 2.949 2.858 3.083 . 0 0 "[ . 1 . 2]" 1
73 1 28 LYS H 1 28 LYS QB 3.600 . 3.600 1.971 1.917 2.156 . 0 0 "[ . 1 . 2]" 1
74 1 28 LYS H 1 28 LYS QD 5.000 . 5.000 4.381 3.817 4.542 . 0 0 "[ . 1 . 2]" 1
75 1 28 LYS HA 1 28 LYS QD 5.000 . 5.000 3.257 2.069 3.891 . 0 0 "[ . 1 . 2]" 1
76 1 29 GLN H 1 29 GLN HG3 5.000 . 5.000 4.371 4.182 4.470 . 0 0 "[ . 1 . 2]" 1
77 1 29 GLN H 1 29 GLN HG2 5.000 . 5.000 4.555 4.467 4.616 . 0 0 "[ . 1 . 2]" 1
78 1 30 GLU H 1 30 GLU QG 5.000 . 5.000 3.907 3.595 4.049 . 0 0 "[ . 1 . 2]" 1
79 1 31 GLY H 1 31 GLY HA3 2.800 . 2.800 2.891 2.860 2.937 0.137 3 0 "[ . 1 . 2]" 1
80 1 31 GLY H 1 31 GLY HA2 2.800 . 2.800 2.355 2.339 2.412 . 0 0 "[ . 1 . 2]" 1
81 1 32 LYS H 1 32 LYS QB 3.600 . 3.600 2.474 2.396 2.574 . 0 0 "[ . 1 . 2]" 1
82 1 32 LYS H 1 32 LYS QG 2.800 . 2.800 2.094 2.009 2.153 . 0 0 "[ . 1 . 2]" 1
83 1 32 LYS HA 1 32 LYS QG 3.600 . 3.600 3.089 2.983 3.186 . 0 0 "[ . 1 . 2]" 1
84 1 32 LYS HA 1 32 LYS QD 3.600 . 3.600 2.004 1.897 2.185 . 0 0 "[ . 1 . 2]" 1
85 1 33 GLU H 1 33 GLU QB 3.600 . 3.600 2.692 2.550 3.063 . 0 0 "[ . 1 . 2]" 1
86 1 34 GLY H 1 34 GLY HA3 2.800 . 2.800 2.951 2.903 2.966 0.166 8 0 "[ . 1 . 2]" 1
87 1 34 GLY H 1 34 GLY HA2 2.800 . 2.800 2.447 2.348 2.508 . 0 0 "[ . 1 . 2]" 1
88 1 36 PHE H 1 36 PHE QB 2.800 . 2.800 2.402 2.167 2.508 . 0 0 "[ . 1 . 2]" 1
89 1 36 PHE H 1 36 PHE QD 5.000 . 5.000 4.173 3.931 4.304 . 0 0 "[ . 1 . 2]" 1
90 1 37 ILE H 1 37 ILE MD 5.000 . 5.000 4.071 3.966 4.163 . 0 0 "[ . 1 . 2]" 1
91 1 37 ILE HA 1 37 ILE HG13 3.600 . 3.600 3.134 2.965 3.386 . 0 0 "[ . 1 . 2]" 1
92 1 37 ILE HA 1 37 ILE HG12 3.600 . 3.600 2.540 2.431 2.658 . 0 0 "[ . 1 . 2]" 1
93 1 37 ILE HA 1 37 ILE MG 3.600 . 3.600 2.333 2.240 2.452 . 0 0 "[ . 1 . 2]" 1
94 1 39 ARG H 1 39 ARG QB 3.600 . 3.600 3.159 3.095 3.261 . 0 0 "[ . 1 . 2]" 1
95 1 40 ASP H 1 40 ASP HB3 2.800 . 2.800 2.602 2.418 2.802 0.002 6 0 "[ . 1 . 2]" 1
96 1 40 ASP H 1 40 ASP HB2 2.800 . 2.800 2.341 2.157 2.680 . 0 0 "[ . 1 . 2]" 1
97 1 43 LYS H 1 43 LYS QB 3.600 . 3.600 2.300 2.144 2.424 . 0 0 "[ . 1 . 2]" 1
98 1 43 LYS H 1 43 LYS QG 2.800 . 2.800 2.177 1.972 2.625 . 0 0 "[ . 1 . 2]" 1
99 1 43 LYS HA 1 43 LYS QG 2.800 . 2.800 2.289 2.109 2.428 . 0 0 "[ . 1 . 2]" 1
100 1 44 ALA H 1 44 ALA MB 3.600 . 3.600 2.000 1.973 2.038 . 0 0 "[ . 1 . 2]" 1
101 1 46 LYS H 1 46 LYS QB 3.600 . 3.600 2.544 2.499 2.905 . 0 0 "[ . 1 . 2]" 1
102 1 46 LYS H 1 46 LYS QD 3.600 . 3.600 2.513 1.952 3.064 . 0 0 "[ . 1 . 2]" 1
103 1 46 LYS HA 1 46 LYS QD 5.000 . 5.000 4.032 3.655 4.163 . 0 0 "[ . 1 . 2]" 1
104 1 47 TYR H 1 47 TYR QD 5.000 . 5.000 2.893 2.110 3.237 . 0 0 "[ . 1 . 2]" 1
105 1 50 SER H 1 50 SER QB 2.800 . 2.800 2.094 2.024 2.186 . 0 0 "[ . 1 . 2]" 1
106 1 51 VAL H 1 51 VAL MG1 3.600 . 3.600 2.722 2.514 2.872 . 0 0 "[ . 1 . 2]" 1
107 1 51 VAL H 1 51 VAL MG2 3.600 . 3.600 2.065 1.966 2.154 . 0 0 "[ . 1 . 2]" 1
108 1 54 LYS H 1 54 LYS QB 2.800 . 2.800 2.245 2.071 2.336 . 0 0 "[ . 1 . 2]" 1
109 1 54 LYS H 1 54 LYS QG 3.600 . 3.600 3.076 2.635 3.484 . 0 0 "[ . 1 . 2]" 1
110 1 54 LYS H 1 54 LYS QD 5.000 . 5.000 4.441 4.312 4.546 . 0 0 "[ . 1 . 2]" 1
111 1 54 LYS HA 1 54 LYS QG 3.600 . 3.600 2.242 2.040 2.816 . 0 0 "[ . 1 . 2]" 1
112 1 54 LYS HA 1 54 LYS QD 5.000 . 5.000 3.315 2.060 4.073 . 0 0 "[ . 1 . 2]" 1
113 1 56 THR HA 1 56 THR HB 2.800 . 2.800 2.748 2.407 2.964 0.164 19 0 "[ . 1 . 2]" 1
114 1 57 GLY H 1 57 GLY HA3 2.800 . 2.800 2.443 2.359 2.902 0.102 19 0 "[ . 1 . 2]" 1
115 1 57 GLY H 1 57 GLY HA2 2.800 . 2.800 2.740 2.360 2.815 0.015 10 0 "[ . 1 . 2]" 1
116 1 58 ASP H 1 58 ASP HB3 2.800 . 2.800 2.905 2.878 2.942 0.142 10 0 "[ . 1 . 2]" 1
117 1 58 ASP H 1 58 ASP HB2 2.800 . 2.800 2.500 2.357 2.677 . 0 0 "[ . 1 . 2]" 1
118 1 60 GLN H 1 60 GLN QB 3.600 . 3.600 2.902 2.858 2.947 . 0 0 "[ . 1 . 2]" 1
119 1 60 GLN H 1 60 GLN QG 2.800 . 2.800 1.922 1.862 1.986 . 0 0 "[ . 1 . 2]" 1
120 1 60 GLN H 1 60 GLN QE 5.000 . 5.000 4.180 4.076 4.318 . 0 0 "[ . 1 . 2]" 1
121 1 60 GLN HA 1 60 GLN QG 3.600 . 3.600 3.284 3.279 3.288 . 0 0 "[ . 1 . 2]" 1
122 1 61 GLY H 1 61 GLY HA3 2.800 . 2.800 2.906 2.861 2.934 0.134 11 0 "[ . 1 . 2]" 1
123 1 61 GLY H 1 61 GLY HA2 2.800 . 2.800 2.735 2.680 2.802 0.002 7 0 "[ . 1 . 2]" 1
124 1 62 VAL H 1 62 VAL HB 3.600 . 3.600 2.580 2.492 2.689 . 0 0 "[ . 1 . 2]" 1
125 1 62 VAL H 1 62 VAL MG2 3.600 . 3.600 2.535 2.239 2.778 . 0 0 "[ . 1 . 2]" 1
126 1 63 ILE H 1 63 ILE HG13 2.800 . 2.800 2.239 2.179 2.271 . 0 0 "[ . 1 . 2]" 1
127 1 63 ILE H 1 63 ILE HG12 2.800 . 2.800 3.014 2.986 3.034 0.234 20 0 "[ . 1 . 2]" 1
128 1 63 ILE H 1 63 ILE MD 5.000 . 5.000 3.892 3.844 3.917 . 0 0 "[ . 1 . 2]" 1
129 1 66 TYR H 1 66 TYR QD 5.000 . 5.000 2.966 2.907 3.056 . 0 0 "[ . 1 . 2]" 1
130 1 66 TYR H 1 66 TYR QE 5.000 . 5.000 4.212 4.116 4.327 . 0 0 "[ . 1 . 2]" 1
131 1 66 TYR HA 1 66 TYR QE 5.000 . 5.000 4.462 4.391 4.515 . 0 0 "[ . 1 . 2]" 1
132 1 67 VAL H 1 67 VAL HB 3.600 . 3.600 2.545 2.489 2.605 . 0 0 "[ . 1 . 2]" 1
133 1 68 VAL H 1 68 VAL HB 3.600 . 3.600 2.441 2.401 2.485 . 0 0 "[ . 1 . 2]" 1
134 1 70 SER H 1 70 SER HB3 3.600 . 3.600 3.416 2.727 3.715 0.115 18 0 "[ . 1 . 2]" 1
135 1 70 SER H 1 70 SER HB2 3.600 . 3.600 3.393 2.413 3.673 0.073 19 0 "[ . 1 . 2]" 1
136 1 71 THR HA 1 71 THR HB 2.800 . 2.800 2.508 2.482 2.523 . 0 0 "[ . 1 . 2]" 1
137 1 73 GLN H 1 73 GLN QB 2.800 . 2.800 2.218 2.207 2.240 . 0 0 "[ . 1 . 2]" 1
138 1 73 GLN H 1 73 GLN QG 5.000 . 5.000 3.975 3.951 3.986 . 0 0 "[ . 1 . 2]" 1
139 1 73 GLN HA 1 73 GLN QB 2.800 . 2.800 2.361 2.355 2.379 . 0 0 "[ . 1 . 2]" 1
140 1 74 SER H 1 74 SER HA 2.800 . 2.800 2.361 2.353 2.363 . 0 0 "[ . 1 . 2]" 1
141 1 74 SER H 1 74 SER QB 3.600 . 3.600 2.941 2.894 3.363 . 0 0 "[ . 1 . 2]" 1
142 1 75 GLN H 1 75 GLN QG 5.000 . 5.000 2.248 2.222 2.270 . 0 0 "[ . 1 . 2]" 1
143 1 75 GLN HA 1 75 GLN QG 3.600 . 3.600 2.733 2.708 2.766 . 0 0 "[ . 1 . 2]" 1
144 1 76 TYR H 1 76 TYR HB2 2.800 . 2.800 2.824 2.807 2.835 0.035 11 0 "[ . 1 . 2]" 1
145 1 76 TYR H 1 76 TYR QD 3.600 . 3.600 2.478 2.417 2.513 . 0 0 "[ . 1 . 2]" 1
146 1 76 TYR H 1 76 TYR QE 5.000 . 5.000 4.500 4.477 4.516 . 0 0 "[ . 1 . 2]" 1
147 1 77 TYR H 1 77 TYR QD 3.600 . 3.600 3.351 3.310 3.391 . 0 0 "[ . 1 . 2]" 1
148 1 79 ALA H 1 79 ALA MB 3.600 . 3.600 2.606 2.481 2.692 . 0 0 "[ . 1 . 2]" 1
149 1 80 GLU H 1 80 GLU QB 2.800 . 2.800 2.143 2.129 2.162 . 0 0 "[ . 1 . 2]" 1
150 1 80 GLU H 1 80 GLU QG 3.600 . 3.600 2.526 2.488 2.559 . 0 0 "[ . 1 . 2]" 1
151 1 81 LYS H 1 81 LYS QB 2.800 . 2.800 2.044 1.968 2.162 . 0 0 "[ . 1 . 2]" 1
152 1 81 LYS H 1 81 LYS QG 3.600 . 3.600 2.943 2.682 3.205 . 0 0 "[ . 1 . 2]" 1
153 1 81 LYS HA 1 81 LYS QB 2.800 . 2.800 2.532 2.495 2.553 . 0 0 "[ . 1 . 2]" 1
154 1 81 LYS HA 1 81 LYS QG 3.600 . 3.600 2.082 1.956 2.237 . 0 0 "[ . 1 . 2]" 1
155 1 83 LEU H 1 83 LEU HG 2.800 . 2.800 2.963 2.947 2.982 0.182 20 0 "[ . 1 . 2]" 1
156 1 83 LEU H 1 83 LEU MD2 2.800 . 2.800 1.847 1.829 1.862 . 0 0 "[ . 1 . 2]" 1
157 1 83 LEU HA 1 83 LEU HG 3.600 . 3.600 3.614 3.608 3.621 0.021 2 0 "[ . 1 . 2]" 1
158 1 84 PHE H 1 84 PHE QD 3.600 . 3.600 2.900 2.349 3.495 . 0 0 "[ . 1 . 2]" 1
159 1 85 SER HA 1 85 SER QB 2.800 . 2.800 2.354 2.195 2.551 . 0 0 "[ . 1 . 2]" 1
160 1 86 THR HA 1 86 THR MG 2.800 . 2.800 2.114 2.073 2.189 . 0 0 "[ . 1 . 2]" 1
161 1 87 ILE H 1 87 ILE HB 2.800 . 2.800 2.146 2.015 2.856 0.056 8 0 "[ . 1 . 2]" 1
162 1 87 ILE H 1 87 ILE MD 2.800 . 2.800 2.074 1.903 2.356 . 0 0 "[ . 1 . 2]" 1
163 1 87 ILE H 1 87 ILE QG 5.000 . 5.000 3.141 1.701 3.499 0.099 8 0 "[ . 1 . 2]" 1
164 1 89 GLU H 1 89 GLU QB 2.800 . 2.800 2.137 2.029 2.317 . 0 0 "[ . 1 . 2]" 1
165 1 89 GLU H 1 89 GLU QG 5.000 . 5.000 3.715 2.088 4.013 . 0 0 "[ . 1 . 2]" 1
166 1 89 GLU HA 1 89 GLU QB 2.800 . 2.800 2.418 2.199 2.512 . 0 0 "[ . 1 . 2]" 1
167 1 89 GLU HA 1 89 GLU QG 3.600 . 3.600 2.622 2.199 3.315 . 0 0 "[ . 1 . 2]" 1
168 1 90 LEU H 1 90 LEU QB 3.600 . 3.600 2.009 1.927 2.146 . 0 0 "[ . 1 . 2]" 1
169 1 90 LEU H 1 90 LEU QD 5.000 . 5.000 3.343 3.023 3.673 . 0 0 "[ . 1 . 2]" 1
170 1 90 LEU HA 1 90 LEU HG 2.800 . 2.800 2.234 2.055 2.455 . 0 0 "[ . 1 . 2]" 1
171 1 91 ILE H 1 91 ILE HB 2.800 . 2.800 2.470 2.412 2.507 . 0 0 "[ . 1 . 2]" 1
172 1 91 ILE H 1 91 ILE QG 2.800 . 2.800 1.917 1.865 2.018 . 0 0 "[ . 1 . 2]" 1
173 1 91 ILE H 1 91 ILE MD 3.600 . 3.600 2.883 2.676 2.954 . 0 0 "[ . 1 . 2]" 1
174 1 91 ILE HA 1 91 ILE QG 3.600 . 3.600 2.754 2.418 2.996 . 0 0 "[ . 1 . 2]" 1
175 1 91 ILE HA 1 91 ILE MG 3.600 . 3.600 2.350 2.280 2.452 . 0 0 "[ . 1 . 2]" 1
176 1 96 HIS H 1 96 HIS HE1 5.000 . 5.000 4.749 3.948 5.059 0.059 19 0 "[ . 1 . 2]" 1
177 1 106 LYS HA 1 106 LYS QG 3.600 . 3.600 2.300 1.996 2.990 . 0 0 "[ . 1 . 2]" 1
178 1 106 LYS HA 1 106 LYS QD 5.000 . 5.000 3.124 1.923 4.035 . 0 0 "[ . 1 . 2]" 1
179 1 107 TYR H 1 107 TYR QD 5.000 . 5.000 4.234 4.115 4.376 . 0 0 "[ . 1 . 2]" 1
180 1 107 TYR HA 1 107 TYR QD 3.600 . 3.600 2.834 2.339 3.081 . 0 0 "[ . 1 . 2]" 1
181 1 109 VAL H 1 109 VAL HB 2.800 . 2.800 2.816 2.293 2.964 0.164 5 0 "[ . 1 . 2]" 1
182 1 110 SER H 1 110 SER QB 3.600 . 3.600 2.386 2.148 2.845 . 0 0 "[ . 1 . 2]" 1
183 1 110 SER HA 1 110 SER HB3 2.800 . 2.800 2.507 2.309 2.690 . 0 0 "[ . 1 . 2]" 1
184 1 111 GLN H 1 111 GLN HA 2.800 . 2.800 2.762 2.341 2.963 0.163 8 0 "[ . 1 . 2]" 1
185 1 111 GLN H 1 111 GLN QB 3.600 . 3.600 2.766 2.378 3.339 . 0 0 "[ . 1 . 2]" 1
186 1 111 GLN H 1 111 GLN QG 3.600 . 3.600 2.267 1.890 2.777 . 0 0 "[ . 1 . 2]" 1
187 1 111 GLN HA 1 111 GLN HB3 2.800 . 2.800 2.395 2.296 2.432 . 0 0 "[ . 1 . 2]" 1
188 1 111 GLN HA 1 111 GLN QG 3.600 . 3.600 2.916 2.457 3.307 . 0 0 "[ . 1 . 2]" 1
189 1 112 GLN H 1 112 GLN HA 2.800 . 2.800 2.724 2.354 2.951 0.151 18 0 "[ . 1 . 2]" 1
190 1 112 GLN H 1 112 GLN QB 3.600 . 3.600 2.756 2.169 3.196 . 0 0 "[ . 1 . 2]" 1
191 1 112 GLN H 1 112 GLN QG 2.800 . 2.800 2.220 1.965 2.653 . 0 0 "[ . 1 . 2]" 1
192 1 113 ASN H 1 113 ASN HA 2.800 . 2.800 2.824 2.357 2.976 0.176 13 0 "[ . 1 . 2]" 1
193 1 113 ASN H 1 113 ASN QB 3.600 . 3.600 2.598 2.188 2.965 . 0 0 "[ . 1 . 2]" 1
194 1 113 ASN HA 1 113 ASN QB 2.800 . 2.800 2.471 2.202 2.556 . 0 0 "[ . 1 . 2]" 1
195 1 114 LYS H 1 114 LYS QG 5.000 . 5.000 2.402 1.829 2.735 . 0 0 "[ . 1 . 2]" 1
196 1 114 LYS HA 1 114 LYS QB 2.800 . 2.800 2.310 2.272 2.355 . 0 0 "[ . 1 . 2]" 1
197 1 114 LYS HA 1 114 LYS QG 3.600 . 3.600 3.095 2.931 3.207 . 0 0 "[ . 1 . 2]" 1
198 1 114 LYS HA 1 114 LYS HD3 2.800 . 2.800 1.958 1.875 2.105 . 0 0 "[ . 1 . 2]" 1
199 1 114 LYS HA 1 114 LYS HD2 3.600 . 3.600 3.505 3.050 3.653 0.053 13 0 "[ . 1 . 2]" 1
200 1 114 LYS HA 1 114 LYS QE 5.000 . 5.000 3.356 2.883 4.003 . 0 0 "[ . 1 . 2]" 1
201 1 115 ASN H 1 115 ASN HB3 3.600 . 3.600 3.379 2.819 3.615 0.015 19 0 "[ . 1 . 2]" 1
202 1 115 ASN HA 1 115 ASN HB3 2.800 . 2.800 2.702 2.425 2.911 0.111 8 0 "[ . 1 . 2]" 1
203 1 115 ASN HA 1 115 ASN HB2 2.800 . 2.800 2.702 2.467 2.879 0.079 12 0 "[ . 1 . 2]" 1
204 1 2 THR HA 1 3 GLU H 5.000 . 5.000 2.418 2.209 3.561 . 0 0 "[ . 1 . 2]" 1
205 1 2 THR HA 1 3 GLU QB 5.000 . 5.000 4.108 3.681 4.361 . 0 0 "[ . 1 . 2]" 1
206 1 2 THR HB 1 3 GLU H 5.000 . 5.000 3.474 2.247 4.404 . 0 0 "[ . 1 . 2]" 1
207 1 2 THR MG 1 3 GLU H 5.000 . 5.000 3.227 1.982 4.039 . 0 0 "[ . 1 . 2]" 1
208 1 3 GLU HA 1 4 ALA H 5.000 . 5.000 2.509 2.214 3.591 . 0 0 "[ . 1 . 2]" 1
209 1 3 GLU HB3 1 4 ALA H 5.000 . 5.000 3.531 2.205 4.523 . 0 0 "[ . 1 . 2]" 1
210 1 3 GLU HB2 1 4 ALA H 5.000 . 5.000 4.109 2.388 4.698 . 0 0 "[ . 1 . 2]" 1
211 1 3 GLU QG 1 4 ALA H 5.000 . 5.000 3.494 1.981 4.230 . 0 0 "[ . 1 . 2]" 1
212 1 4 ALA H 1 5 GLU HA 5.000 . 5.000 4.858 4.621 5.077 0.077 9 0 "[ . 1 . 2]" 1
213 1 4 ALA MB 1 5 GLU H 5.000 . 5.000 2.266 1.960 3.600 . 0 0 "[ . 1 . 2]" 1
214 1 4 ALA HA 1 5 GLU QG 3.600 . 3.600 3.261 2.934 3.357 . 0 0 "[ . 1 . 2]" 1
215 1 4 ALA HA 1 5 GLU QB 5.000 . 5.000 4.209 4.075 4.501 . 0 0 "[ . 1 . 2]" 1
216 1 5 GLU HA 1 6 ASP H 5.000 . 5.000 2.879 2.220 3.566 . 0 0 "[ . 1 . 2]" 1
217 1 5 GLU HB3 1 6 ASP H 5.000 . 5.000 4.138 3.392 4.687 . 0 0 "[ . 1 . 2]" 1
218 1 5 GLU HB2 1 6 ASP H 5.000 . 5.000 3.400 1.825 4.455 . 0 0 "[ . 1 . 2]" 1
219 1 5 GLU QG 1 6 ASP HA 5.000 . 5.000 4.128 3.820 4.346 . 0 0 "[ . 1 . 2]" 1
220 1 6 ASP H 1 7 SER H 5.000 . 5.000 3.392 2.169 4.580 . 0 0 "[ . 1 . 2]" 1
221 1 6 ASP HB3 1 7 SER H 5.000 . 5.000 3.920 2.209 4.651 . 0 0 "[ . 1 . 2]" 1
222 1 6 ASP HB2 1 7 SER H 5.000 . 5.000 3.850 1.955 4.684 . 0 0 "[ . 1 . 2]" 1
223 1 7 SER HA 1 8 ILE H 2.800 . 2.800 2.555 2.213 2.822 0.022 4 0 "[ . 1 . 2]" 1
224 1 8 ILE H 1 9 GLU H 3.600 . 3.600 2.451 1.991 3.005 . 0 0 "[ . 1 . 2]" 1
225 1 7 SER QB 1 8 ILE H 5.000 . 5.000 2.817 1.946 3.946 . 0 0 "[ . 1 . 2]" 1
226 1 8 ILE QG 1 9 GLU H 5.000 . 5.000 3.977 3.660 4.545 . 0 0 "[ . 1 . 2]" 1
227 1 8 ILE MG 1 9 GLU H 3.600 . 3.600 2.439 1.907 2.881 . 0 0 "[ . 1 . 2]" 1
228 1 9 GLU H 1 10 MET QG 5.000 . 5.000 4.130 3.501 4.554 . 0 0 "[ . 1 . 2]" 1
229 1 9 GLU HA 1 10 MET H 5.000 . 5.000 2.679 2.217 3.571 . 0 0 "[ . 1 . 2]" 1
230 1 10 MET H 1 11 TYR H 5.000 . 5.000 3.268 2.097 4.640 . 0 0 "[ . 1 . 2]" 1
231 1 10 MET ME 1 11 TYR H 5.000 . 5.000 3.602 2.604 4.089 . 0 0 "[ . 1 . 2]" 1
232 1 11 TYR H 1 12 GLU H 3.600 . 3.600 3.114 1.872 3.627 0.027 20 0 "[ . 1 . 2]" 1
233 1 10 MET HA 1 11 TYR H 5.000 . 5.000 2.747 2.286 3.071 . 0 0 "[ . 1 . 2]" 1
234 1 10 MET QB 1 11 TYR H 5.000 . 5.000 3.293 1.903 4.047 . 0 0 "[ . 1 . 2]" 1
235 1 12 GLU H 1 13 TRP H 5.000 . 5.000 2.120 1.984 2.710 . 0 0 "[ . 1 . 2]" 1
236 1 12 GLU H 1 13 TRP HD1 5.000 . 5.000 2.826 2.344 3.675 . 0 0 "[ . 1 . 2]" 1
237 1 12 GLU HA 1 13 TRP H 3.600 . 3.600 3.569 3.556 3.586 . 0 0 "[ . 1 . 2]" 1
238 1 12 GLU QB 1 13 TRP H 5.000 . 5.000 2.289 1.930 2.393 . 0 0 "[ . 1 . 2]" 1
239 1 12 GLU QG 1 13 TRP H 5.000 . 5.000 3.941 3.747 4.030 . 0 0 "[ . 1 . 2]" 1
240 1 12 GLU QG 1 13 TRP HA 5.000 . 5.000 4.473 4.341 4.594 . 0 0 "[ . 1 . 2]" 1
241 1 13 TRP H 1 14 TYR H 2.800 . 2.800 2.863 2.685 2.975 0.175 5 0 "[ . 1 . 2]" 1
242 1 13 TRP HE3 1 14 TYR HA 3.600 . 3.600 2.755 2.476 2.968 . 0 0 "[ . 1 . 2]" 1
243 1 13 TRP HZ3 1 14 TYR HA 3.600 . 3.600 3.376 3.010 3.617 0.017 4 0 "[ . 1 . 2]" 1
244 1 14 TYR HA 1 15 SER H 3.600 . 3.600 2.225 2.193 2.281 . 0 0 "[ . 1 . 2]" 1
245 1 15 SER H 1 16 LYS H 5.000 . 5.000 4.254 3.990 4.339 . 0 0 "[ . 1 . 2]" 1
246 1 14 TYR QB 1 15 SER H 5.000 . 5.000 3.730 3.596 3.844 . 0 0 "[ . 1 . 2]" 1
247 1 14 TYR QD 1 15 SER H 3.600 . 3.600 3.176 2.514 3.669 0.069 6 0 "[ . 1 . 2]" 1
248 1 15 SER HA 1 16 LYS H 2.800 . 2.800 2.206 2.177 2.227 . 0 0 "[ . 1 . 2]" 1
249 1 15 SER QB 1 16 LYS H 3.600 . 3.600 3.241 3.151 3.423 . 0 0 "[ . 1 . 2]" 1
250 1 16 LYS H 1 17 HIS H 5.000 . 5.000 4.305 3.429 4.443 . 0 0 "[ . 1 . 2]" 1
251 1 16 LYS HA 1 17 HIS H 2.800 . 2.800 2.244 2.169 2.811 0.011 15 0 "[ . 1 . 2]" 1
252 1 16 LYS QB 1 17 HIS H 5.000 . 5.000 3.759 3.651 4.108 . 0 0 "[ . 1 . 2]" 1
253 1 16 LYS QG 1 17 HIS H 5.000 . 5.000 4.039 3.676 4.356 . 0 0 "[ . 1 . 2]" 1
254 1 16 LYS QD 1 17 HIS H 5.000 . 5.000 4.172 3.165 4.373 . 0 0 "[ . 1 . 2]" 1
255 1 17 HIS H 1 18 MET H 2.800 . 2.800 2.830 1.800 2.966 0.166 3 0 "[ . 1 . 2]" 1
256 1 16 LYS QZ 1 17 HIS H 5.000 . 5.000 3.561 2.741 4.139 . 0 0 "[ . 1 . 2]" 1
257 1 17 HIS HA 1 18 MET H 3.600 . 3.600 2.777 2.616 3.149 . 0 0 "[ . 1 . 2]" 1
258 1 17 HIS QB 1 18 MET H 5.000 . 5.000 3.902 3.862 4.036 . 0 0 "[ . 1 . 2]" 1
259 1 18 MET H 1 19 THR H 5.000 . 5.000 4.573 4.472 4.658 . 0 0 "[ . 1 . 2]" 1
260 1 18 MET HA 1 19 THR H 2.800 . 2.800 2.282 2.200 2.806 0.006 12 0 "[ . 1 . 2]" 1
261 1 18 MET QG 1 19 THR H 3.600 . 3.600 2.536 1.941 2.996 . 0 0 "[ . 1 . 2]" 1
262 1 19 THR HA 1 20 ARG H 2.800 . 2.800 2.222 2.195 2.306 . 0 0 "[ . 1 . 2]" 1
263 1 19 THR MG 1 20 ARG H 5.000 . 5.000 2.533 2.286 2.766 . 0 0 "[ . 1 . 2]" 1
264 1 20 ARG H 1 21 SER H 5.000 . 5.000 2.788 2.669 2.851 . 0 0 "[ . 1 . 2]" 1
265 1 20 ARG QB 1 21 SER H 5.000 . 5.000 3.295 3.264 3.315 . 0 0 "[ . 1 . 2]" 1
266 1 20 ARG QG 1 21 SER H 5.000 . 5.000 1.779 1.746 1.811 0.054 13 0 "[ . 1 . 2]" 1
267 1 20 ARG QD 1 21 SER H 5.000 . 5.000 3.845 3.710 3.924 . 0 0 "[ . 1 . 2]" 1
268 1 20 ARG QG 1 21 SER HB3 2.800 . 2.800 2.755 2.733 2.768 . 0 0 "[ . 1 . 2]" 1
269 1 20 ARG QG 1 21 SER HB2 3.600 . 3.600 3.278 3.236 3.299 . 0 0 "[ . 1 . 2]" 1
270 1 21 SER H 1 22 GLN H 5.000 . 5.000 2.591 2.548 2.647 . 0 0 "[ . 1 . 2]" 1
271 1 21 SER H 1 22 GLN QG 5.000 . 5.000 4.414 4.258 4.481 . 0 0 "[ . 1 . 2]" 1
272 1 21 SER QB 1 22 GLN H 5.000 . 5.000 2.955 2.871 3.008 . 0 0 "[ . 1 . 2]" 1
273 1 22 GLN H 1 23 ALA H 2.800 . 2.800 2.669 2.577 2.730 . 0 0 "[ . 1 . 2]" 1
274 1 22 GLN QB 1 23 ALA H 5.000 . 5.000 2.530 2.433 2.688 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLN QB 1 23 ALA HA 5.000 . 5.000 3.959 3.937 3.993 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLN QG 1 23 ALA H 5.000 . 5.000 4.142 4.083 4.214 . 0 0 "[ . 1 . 2]" 1
277 1 23 ALA H 1 24 GLU H 5.000 . 5.000 2.691 2.561 2.759 . 0 0 "[ . 1 . 2]" 1
278 1 23 ALA HA 1 24 GLU H 3.600 . 3.600 3.563 3.545 3.573 . 0 0 "[ . 1 . 2]" 1
279 1 23 ALA MB 1 24 GLU H 3.600 . 3.600 2.451 2.322 2.568 . 0 0 "[ . 1 . 2]" 1
280 1 24 GLU H 1 25 GLN H 3.600 . 3.600 2.926 2.839 2.973 . 0 0 "[ . 1 . 2]" 1
281 1 23 ALA MB 1 24 GLU QG 5.000 . 5.000 3.286 3.028 3.614 . 0 0 "[ . 1 . 2]" 1
282 1 25 GLN H 1 26 LEU H 3.600 . 3.600 2.827 2.761 2.885 . 0 0 "[ . 1 . 2]" 1
283 1 24 GLU QB 1 25 GLN H 2.800 . 2.800 2.305 2.244 2.418 . 0 0 "[ . 1 . 2]" 1
284 1 25 GLN QB 1 26 LEU H 3.600 . 3.600 3.317 3.279 3.338 . 0 0 "[ . 1 . 2]" 1
285 1 25 GLN QB 1 26 LEU HA 5.000 . 5.000 4.320 4.260 4.513 . 0 0 "[ . 1 . 2]" 1
286 1 25 GLN QG 1 26 LEU H 5.000 . 5.000 1.830 1.786 1.852 0.014 20 0 "[ . 1 . 2]" 1
287 1 25 GLN QG 1 26 LEU HA 5.000 . 5.000 3.451 3.075 4.241 . 0 0 "[ . 1 . 2]" 1
288 1 26 LEU H 1 27 LEU H 3.600 . 3.600 2.565 2.529 2.597 . 0 0 "[ . 1 . 2]" 1
289 1 26 LEU QD 1 27 LEU H 5.000 . 5.000 2.720 2.557 2.889 . 0 0 "[ . 1 . 2]" 1
290 1 27 LEU QB 1 28 LYS HA 5.000 . 5.000 3.833 3.802 3.864 . 0 0 "[ . 1 . 2]" 1
291 1 27 LEU H 1 28 LYS H 5.000 . 5.000 2.682 2.566 2.830 . 0 0 "[ . 1 . 2]" 1
292 1 28 LYS H 1 29 GLN H 5.000 . 5.000 2.794 2.709 2.904 . 0 0 "[ . 1 . 2]" 1
293 1 28 LYS QB 1 29 GLN H 2.800 . 2.800 2.489 2.178 2.638 . 0 0 "[ . 1 . 2]" 1
294 1 28 LYS QD 1 29 GLN H 5.000 . 5.000 4.261 3.771 4.556 . 0 0 "[ . 1 . 2]" 1
295 1 29 GLN QG 1 30 GLU HA 5.000 . 5.000 3.980 3.598 4.439 . 0 0 "[ . 1 . 2]" 1
296 1 29 GLN H 1 30 GLU H 5.000 . 5.000 2.808 2.645 2.943 . 0 0 "[ . 1 . 2]" 1
297 1 30 GLU H 1 31 GLY H 3.600 . 3.600 2.664 2.543 2.787 . 0 0 "[ . 1 . 2]" 1
298 1 30 GLU H 1 31 GLY HA3 5.000 . 5.000 5.158 5.102 5.194 0.194 17 0 "[ . 1 . 2]" 1
299 1 30 GLU H 1 31 GLY HA2 5.000 . 5.000 4.924 4.814 5.006 0.006 17 0 "[ . 1 . 2]" 1
300 1 30 GLU HA 1 31 GLY H 3.600 . 3.600 3.545 3.532 3.586 . 0 0 "[ . 1 . 2]" 1
301 1 30 GLU QB 1 31 GLY H 3.600 . 3.600 2.590 2.293 2.714 . 0 0 "[ . 1 . 2]" 1
302 1 31 GLY H 1 32 LYS QB 6.000 . 6.000 4.631 4.380 4.744 . 0 0 "[ . 1 . 2]" 1
303 1 31 GLY HA3 1 32 LYS H 5.000 . 5.000 3.479 3.415 3.551 . 0 0 "[ . 1 . 2]" 1
304 1 31 GLY HA2 1 32 LYS H 5.000 . 5.000 3.049 2.896 3.187 . 0 0 "[ . 1 . 2]" 1
305 1 31 GLY QA 1 32 LYS HA 5.000 . 5.000 4.113 4.078 4.139 . 0 0 "[ . 1 . 2]" 1
306 1 31 GLY H 1 32 LYS H 5.000 . 5.000 2.512 2.276 2.597 . 0 0 "[ . 1 . 2]" 1
307 1 32 LYS HA 1 33 GLU H 2.800 . 2.800 2.313 2.239 2.545 . 0 0 "[ . 1 . 2]" 1
308 1 32 LYS HA 1 33 GLU QG 5.000 . 5.000 3.725 3.427 4.048 . 0 0 "[ . 1 . 2]" 1
309 1 32 LYS QB 1 33 GLU H 5.000 . 5.000 3.421 2.376 3.782 . 0 0 "[ . 1 . 2]" 1
310 1 32 LYS QG 1 33 GLU H 6.000 . 6.000 4.846 4.317 5.016 . 0 0 "[ . 1 . 2]" 1
311 1 33 GLU HA 1 34 GLY H 3.600 . 3.600 2.248 2.153 2.342 . 0 0 "[ . 1 . 2]" 1
312 1 34 GLY H 1 35 GLY H 5.000 . 5.000 2.100 1.903 2.458 . 0 0 "[ . 1 . 2]" 1
313 1 34 GLY HA3 1 35 GLY H 5.000 . 5.000 3.489 3.438 3.550 . 0 0 "[ . 1 . 2]" 1
314 1 35 GLY HA3 1 36 PHE H 3.600 . 3.600 3.076 2.867 3.433 . 0 0 "[ . 1 . 2]" 1
315 1 35 GLY HA2 1 36 PHE H 3.600 . 3.600 2.291 2.188 2.396 . 0 0 "[ . 1 . 2]" 1
316 1 36 PHE QD 1 37 ILE H 3.600 . 3.600 3.608 3.521 3.748 0.148 14 0 "[ . 1 . 2]" 1
317 1 37 ILE HA 1 38 VAL H 5.000 . 5.000 2.424 2.210 2.466 . 0 0 "[ . 1 . 2]" 1
318 1 37 ILE MG 1 38 VAL H 3.600 . 3.600 2.017 1.889 2.866 . 0 0 "[ . 1 . 2]" 1
319 1 37 ILE QG 1 38 VAL H 5.000 . 5.000 4.099 3.942 4.417 . 0 0 "[ . 1 . 2]" 1
320 1 38 VAL HA 1 39 ARG H 3.600 . 3.600 2.336 2.260 2.416 . 0 0 "[ . 1 . 2]" 1
321 1 38 VAL MG1 1 39 ARG H 5.000 . 5.000 2.157 1.937 2.380 . 0 0 "[ . 1 . 2]" 1
322 1 38 VAL MG1 1 39 ARG HA 5.000 . 5.000 3.496 3.385 3.690 . 0 0 "[ . 1 . 2]" 1
323 1 39 ARG HA 1 40 ASP H 2.800 . 2.800 2.382 2.321 2.527 . 0 0 "[ . 1 . 2]" 1
324 1 39 ARG QG 1 40 ASP H 5.000 . 5.000 4.182 3.990 4.287 . 0 0 "[ . 1 . 2]" 1
325 1 40 ASP HB3 1 41 SER H 5.000 . 5.000 3.572 3.217 3.881 . 0 0 "[ . 1 . 2]" 1
326 1 40 ASP HB2 1 41 SER H 5.000 . 5.000 4.081 3.964 4.237 . 0 0 "[ . 1 . 2]" 1
327 1 40 ASP HA 1 41 SER H 5.000 . 5.000 2.396 2.292 2.496 . 0 0 "[ . 1 . 2]" 1
328 1 42 SER HA 1 43 LYS H 5.000 . 5.000 3.593 3.578 3.598 . 0 0 "[ . 1 . 2]" 1
329 1 42 SER QB 1 43 LYS H 3.600 . 3.600 2.374 2.073 3.160 . 0 0 "[ . 1 . 2]" 1
330 1 43 LYS HA 1 44 ALA H 5.000 . 5.000 3.580 3.576 3.589 . 0 0 "[ . 1 . 2]" 1
331 1 43 LYS QB 1 44 ALA H 5.000 . 5.000 2.034 1.954 2.132 . 0 0 "[ . 1 . 2]" 1
332 1 43 LYS QG 1 44 ALA H 6.000 . 6.000 3.958 3.817 4.019 . 0 0 "[ . 1 . 2]" 1
333 1 44 ALA H 1 45 GLY H 2.800 . 2.800 2.339 2.284 2.378 . 0 0 "[ . 1 . 2]" 1
334 1 44 ALA HA 1 45 GLY H 3.600 . 3.600 3.442 3.426 3.470 . 0 0 "[ . 1 . 2]" 1
335 1 44 ALA MB 1 45 GLY H 3.600 . 3.600 3.010 2.962 3.036 . 0 0 "[ . 1 . 2]" 1
336 1 45 GLY H 1 46 LYS H 2.800 . 2.800 2.362 2.320 2.404 . 0 0 "[ . 1 . 2]" 1
337 1 45 GLY H 1 46 LYS QD 5.000 . 5.000 3.563 2.811 4.284 . 0 0 "[ . 1 . 2]" 1
338 1 45 GLY HA3 1 46 LYS H 5.000 . 5.000 3.482 3.466 3.493 . 0 0 "[ . 1 . 2]" 1
339 1 45 GLY HA2 1 46 LYS H 3.600 . 3.600 2.975 2.950 3.001 . 0 0 "[ . 1 . 2]" 1
340 1 46 LYS HA 1 47 TYR H 5.000 . 5.000 2.669 2.599 2.794 . 0 0 "[ . 1 . 2]" 1
341 1 47 TYR HA 1 48 THR H 3.600 . 3.600 2.387 2.336 2.462 . 0 0 "[ . 1 . 2]" 1
342 1 47 TYR HB3 1 48 THR H 5.000 . 5.000 2.748 2.507 2.890 . 0 0 "[ . 1 . 2]" 1
343 1 47 TYR HB2 1 48 THR H 5.000 . 5.000 3.732 3.612 3.949 . 0 0 "[ . 1 . 2]" 1
344 1 48 THR HA 1 49 VAL H 3.600 . 3.600 2.223 2.198 2.253 . 0 0 "[ . 1 . 2]" 1
345 1 48 THR MG 1 49 VAL H 5.000 . 5.000 2.554 2.400 2.749 . 0 0 "[ . 1 . 2]" 1
346 1 49 VAL HA 1 50 SER H 5.000 . 5.000 2.221 2.193 2.250 . 0 0 "[ . 1 . 2]" 1
347 1 49 VAL MG1 1 50 SER H 6.000 . 6.000 3.192 2.980 3.364 . 0 0 "[ . 1 . 2]" 1
348 1 50 SER HA 1 51 VAL H 3.600 . 3.600 2.258 2.242 2.282 . 0 0 "[ . 1 . 2]" 1
349 1 50 SER QB 1 51 VAL H 5.000 . 5.000 3.662 3.558 3.752 . 0 0 "[ . 1 . 2]" 1
350 1 50 SER HA 1 51 VAL MG2 5.000 . 5.000 3.800 3.698 3.912 . 0 0 "[ . 1 . 2]" 1
351 1 51 VAL HA 1 52 PHE H 5.000 . 5.000 2.289 2.234 2.336 . 0 0 "[ . 1 . 2]" 1
352 1 52 PHE HA 1 53 ALA H 2.800 . 2.800 2.473 2.324 2.555 . 0 0 "[ . 1 . 2]" 1
353 1 52 PHE QD 1 53 ALA H 3.600 . 3.600 2.716 2.391 3.381 . 0 0 "[ . 1 . 2]" 1
354 1 53 ALA HA 1 54 LYS H 2.800 . 2.800 2.453 2.331 2.670 . 0 0 "[ . 1 . 2]" 1
355 1 53 ALA MB 1 54 LYS H 5.000 . 5.000 2.487 2.091 2.753 . 0 0 "[ . 1 . 2]" 1
356 1 55 SER HA 1 56 THR H 2.800 . 2.800 2.533 2.397 2.616 . 0 0 "[ . 1 . 2]" 1
357 1 57 GLY H 1 58 ASP H 5.000 . 5.000 2.857 2.701 3.643 . 0 0 "[ . 1 . 2]" 1
358 1 57 GLY QA 1 58 ASP H 3.600 . 3.600 2.729 2.491 2.786 . 0 0 "[ . 1 . 2]" 1
359 1 57 GLY HA3 1 58 ASP HA 5.000 . 5.000 4.542 4.488 4.590 . 0 0 "[ . 1 . 2]" 1
360 1 57 GLY HA2 1 58 ASP HA 5.000 . 5.000 4.618 4.600 4.635 . 0 0 "[ . 1 . 2]" 1
361 1 58 ASP H 1 59 PRO QD 5.000 . 5.000 3.404 3.247 3.623 . 0 0 "[ . 1 . 2]" 1
362 1 58 ASP HA 1 59 PRO QG 5.000 . 5.000 3.836 3.809 3.855 . 0 0 "[ . 1 . 2]" 1
363 1 58 ASP HA 1 59 PRO QD 2.800 . 2.800 1.877 1.857 1.907 . 0 0 "[ . 1 . 2]" 1
364 1 58 ASP HB3 1 59 PRO HD3 5.000 . 5.000 4.901 4.863 4.940 . 0 0 "[ . 1 . 2]" 1
365 1 58 ASP HB3 1 59 PRO HD2 5.000 . 5.000 4.516 4.394 4.566 . 0 0 "[ . 1 . 2]" 1
366 1 58 ASP HB2 1 59 PRO HD3 5.000 . 5.000 4.858 4.832 4.889 . 0 0 "[ . 1 . 2]" 1
367 1 58 ASP HB2 1 59 PRO HD2 5.000 . 5.000 4.607 4.563 4.639 . 0 0 "[ . 1 . 2]" 1
368 1 60 GLN H 1 61 GLY H 2.800 . 2.800 2.515 2.342 2.722 . 0 0 "[ . 1 . 2]" 1
369 1 59 PRO QB 1 60 GLN H 3.600 . 3.600 3.160 3.106 3.196 . 0 0 "[ . 1 . 2]" 1
370 1 60 GLN HA 1 61 GLY H 3.600 . 3.600 3.189 3.036 3.321 . 0 0 "[ . 1 . 2]" 1
371 1 60 GLN QG 1 61 GLY H 5.000 . 5.000 3.151 2.833 3.516 . 0 0 "[ . 1 . 2]" 1
372 1 60 GLN QG 1 61 GLY QA 5.000 . 5.000 3.618 3.588 3.652 . 0 0 "[ . 1 . 2]" 1
373 1 59 PRO QB 1 60 GLN QG 5.000 . 5.000 3.646 3.518 3.740 . 0 0 "[ . 1 . 2]" 1
374 1 61 GLY H 1 62 VAL QG 5.000 . 5.000 2.655 2.512 2.856 . 0 0 "[ . 1 . 2]" 1
375 1 61 GLY HA3 1 62 VAL H 3.600 . 3.600 3.446 3.386 3.511 . 0 0 "[ . 1 . 2]" 1
376 1 61 GLY HA2 1 62 VAL H 2.800 . 2.800 2.247 2.198 2.318 . 0 0 "[ . 1 . 2]" 1
377 1 62 VAL HA 1 63 ILE H 2.800 . 2.800 2.220 2.177 2.269 . 0 0 "[ . 1 . 2]" 1
378 1 62 VAL HA 1 63 ILE QG 5.000 . 5.000 2.853 2.842 2.866 . 0 0 "[ . 1 . 2]" 1
379 1 62 VAL HA 1 63 ILE MD 5.000 . 5.000 4.371 4.347 4.398 . 0 0 "[ . 1 . 2]" 1
380 1 62 VAL HB 1 63 ILE H 5.000 . 5.000 3.966 3.857 4.120 . 0 0 "[ . 1 . 2]" 1
381 1 62 VAL QG 1 63 ILE H 3.600 . 3.600 2.216 2.063 2.378 . 0 0 "[ . 1 . 2]" 1
382 1 65 HIS HA 1 66 TYR H 5.000 . 5.000 2.232 2.214 2.253 . 0 0 "[ . 1 . 2]" 1
383 1 65 HIS QB 1 66 TYR H 5.000 . 5.000 3.638 3.614 3.670 . 0 0 "[ . 1 . 2]" 1
384 1 66 TYR QB 1 67 VAL H 3.600 . 3.600 3.362 3.316 3.395 . 0 0 "[ . 1 . 2]" 1
385 1 66 TYR QD 1 67 VAL H 5.000 . 5.000 4.209 4.097 4.289 . 0 0 "[ . 1 . 2]" 1
386 1 67 VAL HA 1 68 VAL H 3.600 . 3.600 2.443 2.389 2.498 . 0 0 "[ . 1 . 2]" 1
387 1 67 VAL QG 1 68 VAL H 5.000 . 5.000 1.895 1.844 2.011 . 0 0 "[ . 1 . 2]" 1
388 1 68 VAL HA 1 69 CYS H 3.600 . 3.600 2.194 2.175 2.240 . 0 0 "[ . 1 . 2]" 1
389 1 68 VAL MG1 1 69 CYS H 3.600 . 3.600 2.558 2.236 2.746 . 0 0 "[ . 1 . 2]" 1
390 1 68 VAL MG1 1 69 CYS HA 5.000 . 5.000 4.051 3.949 4.102 . 0 0 "[ . 1 . 2]" 1
391 1 68 VAL MG2 1 69 CYS H 5.000 . 5.000 4.060 3.989 4.116 . 0 0 "[ . 1 . 2]" 1
392 1 69 CYS HA 1 70 SER H 2.800 . 2.800 2.380 2.225 2.494 . 0 0 "[ . 1 . 2]" 1
393 1 69 CYS QB 1 70 SER H 5.000 . 5.000 3.510 3.325 3.765 . 0 0 "[ . 1 . 2]" 1
394 1 70 SER HA 1 71 THR H 2.800 . 2.800 2.197 2.182 2.227 . 0 0 "[ . 1 . 2]" 1
395 1 70 SER QB 1 71 THR H 3.600 . 3.600 3.181 3.044 3.280 . 0 0 "[ . 1 . 2]" 1
396 1 71 THR HA 1 72 PRO QD 5.000 . 5.000 1.940 1.925 1.970 . 0 0 "[ . 1 . 2]" 1
397 1 71 THR HB 1 72 PRO QD 5.000 . 5.000 3.437 3.393 3.470 . 0 0 "[ . 1 . 2]" 1
398 1 72 PRO QD 1 73 GLN H 3.600 . 3.600 3.105 3.091 3.130 . 0 0 "[ . 1 . 2]" 1
399 1 73 GLN H 1 74 SER H 2.800 . 2.800 2.743 2.688 2.788 . 0 0 "[ . 1 . 2]" 1
400 1 72 PRO QB 1 73 GLN H 5.000 . 5.000 3.612 3.570 3.674 . 0 0 "[ . 1 . 2]" 1
401 1 73 GLN HA 1 74 SER H 3.600 . 3.600 3.066 3.044 3.073 . 0 0 "[ . 1 . 2]" 1
402 1 73 GLN QB 1 74 SER H 5.000 . 5.000 3.718 3.699 3.735 . 0 0 "[ . 1 . 2]" 1
403 1 74 SER H 1 75 GLN H 2.800 . 2.800 2.732 2.710 2.779 . 0 0 "[ . 1 . 2]" 1
404 1 74 SER HA 1 75 GLN H 3.600 . 3.600 2.776 2.756 2.788 . 0 0 "[ . 1 . 2]" 1
405 1 75 GLN HA 1 76 TYR H 2.800 . 2.800 2.479 2.438 2.498 . 0 0 "[ . 1 . 2]" 1
406 1 75 GLN QB 1 76 TYR H 3.600 . 3.600 2.646 2.612 2.719 . 0 0 "[ . 1 . 2]" 1
407 1 75 GLN H 1 76 TYR H 5.000 . 5.000 4.488 4.484 4.492 . 0 0 "[ . 1 . 2]" 1
408 1 76 TYR HA 1 77 TYR H 2.800 . 2.800 2.382 2.367 2.398 . 0 0 "[ . 1 . 2]" 1
409 1 76 TYR HB3 1 77 TYR H 3.600 . 3.600 2.718 2.687 2.750 . 0 0 "[ . 1 . 2]" 1
410 1 76 TYR HB2 1 77 TYR H 3.600 . 3.600 3.650 3.635 3.666 0.066 6 0 "[ . 1 . 2]" 1
411 1 77 TYR HA 1 78 LEU QB 5.000 . 5.000 4.032 3.999 4.082 . 0 0 "[ . 1 . 2]" 1
412 1 78 LEU QB 1 79 ALA H 3.600 . 3.600 3.083 2.934 3.165 . 0 0 "[ . 1 . 2]" 1
413 1 79 ALA HA 1 80 GLU H 2.800 . 2.800 2.239 2.231 2.243 . 0 0 "[ . 1 . 2]" 1
414 1 79 ALA HA 1 80 GLU QG 5.000 . 5.000 4.360 4.338 4.394 . 0 0 "[ . 1 . 2]" 1
415 1 80 GLU H 1 81 LYS H 2.800 . 2.800 2.868 2.862 2.872 0.072 15 0 "[ . 1 . 2]" 1
416 1 80 GLU HA 1 81 LYS H 3.600 . 3.600 3.448 3.436 3.454 . 0 0 "[ . 1 . 2]" 1
417 1 80 GLU QB 1 81 LYS H 3.600 . 3.600 3.007 2.974 3.052 . 0 0 "[ . 1 . 2]" 1
418 1 81 LYS HA 1 82 HIS H 3.600 . 3.600 3.560 3.555 3.566 . 0 0 "[ . 1 . 2]" 1
419 1 81 LYS QB 1 82 HIS H 2.800 . 2.800 2.653 2.592 2.675 . 0 0 "[ . 1 . 2]" 1
420 1 82 HIS H 1 83 LEU QD 6.000 . 6.000 3.725 3.675 3.756 . 0 0 "[ . 1 . 2]" 1
421 1 82 HIS QB 1 83 LEU H 3.600 . 3.600 3.125 3.082 3.175 . 0 0 "[ . 1 . 2]" 1
422 1 83 LEU H 1 84 PHE H 5.000 . 5.000 4.362 4.336 4.384 . 0 0 "[ . 1 . 2]" 1
423 1 83 LEU HA 1 84 PHE H 5.000 . 5.000 2.254 2.226 2.281 . 0 0 "[ . 1 . 2]" 1
424 1 83 LEU HG 1 84 PHE H 5.000 . 5.000 3.987 3.911 4.070 . 0 0 "[ . 1 . 2]" 1
425 1 83 LEU HG 1 84 PHE HA 5.000 . 5.000 3.976 3.902 4.067 . 0 0 "[ . 1 . 2]" 1
426 1 83 LEU QB 1 84 PHE H 5.000 . 5.000 3.058 2.989 3.134 . 0 0 "[ . 1 . 2]" 1
427 1 84 PHE HB3 1 85 SER H 3.600 . 3.600 1.827 1.771 1.904 0.029 10 0 "[ . 1 . 2]" 1
428 1 84 PHE HB2 1 85 SER H 3.600 . 3.600 3.143 2.794 3.384 . 0 0 "[ . 1 . 2]" 1
429 1 84 PHE QD 1 85 SER H 6.000 . 6.000 3.428 2.970 3.756 . 0 0 "[ . 1 . 2]" 1
430 1 85 SER H 1 86 THR H 5.000 . 5.000 2.395 2.242 2.520 . 0 0 "[ . 1 . 2]" 1
431 1 85 SER H 1 86 THR HB 6.000 . 6.000 4.749 4.603 4.939 . 0 0 "[ . 1 . 2]" 1
432 1 86 THR H 1 87 ILE H 5.000 . 5.000 4.402 4.383 4.419 . 0 0 "[ . 1 . 2]" 1
433 1 86 THR HA 1 87 ILE H 2.800 . 2.800 2.424 2.381 2.473 . 0 0 "[ . 1 . 2]" 1
434 1 86 THR HA 1 87 ILE HA 6.000 . 6.000 4.411 4.400 4.421 . 0 0 "[ . 1 . 2]" 1
435 1 86 THR HB 1 87 ILE H 5.000 . 5.000 3.439 3.199 3.613 . 0 0 "[ . 1 . 2]" 1
436 1 86 THR MG 1 87 ILE H 2.800 . 2.800 1.959 1.930 2.011 . 0 0 "[ . 1 . 2]" 1
437 1 88 PRO HA 1 89 GLU H 5.000 . 5.000 3.564 3.521 3.610 . 0 0 "[ . 1 . 2]" 1
438 1 89 GLU QG 1 90 LEU HA 5.000 . 5.000 4.031 3.087 4.520 . 0 0 "[ . 1 . 2]" 1
439 1 88 PRO QG 1 89 GLU H 5.000 . 5.000 3.060 2.807 3.202 . 0 0 "[ . 1 . 2]" 1
440 1 90 LEU H 1 91 ILE H 5.000 . 5.000 2.913 2.766 3.043 . 0 0 "[ . 1 . 2]" 1
441 1 91 ILE H 1 92 ASN H 5.000 . 5.000 2.843 2.640 3.079 . 0 0 "[ . 1 . 2]" 1
442 1 90 LEU QB 1 91 ILE H 3.600 . 3.600 2.295 2.050 2.395 . 0 0 "[ . 1 . 2]" 1
443 1 91 ILE MG 1 92 ASN H 5.000 . 5.000 3.385 2.983 3.615 . 0 0 "[ . 1 . 2]" 1
444 1 91 ILE HB 1 92 ASN H 2.800 . 2.800 2.478 2.109 2.691 . 0 0 "[ . 1 . 2]" 1
445 1 92 ASN HB3 1 93 TYR H 3.600 . 3.600 2.642 1.979 3.037 . 0 0 "[ . 1 . 2]" 1
446 1 92 ASN HB2 1 93 TYR H 3.600 . 3.600 3.302 2.512 3.551 . 0 0 "[ . 1 . 2]" 1
447 1 92 ASN QB 1 93 TYR HA 5.000 . 5.000 3.887 3.815 4.144 . 0 0 "[ . 1 . 2]" 1
448 1 95 GLN QB 1 96 HIS H 5.000 . 5.000 2.181 1.929 2.560 . 0 0 "[ . 1 . 2]" 1
449 1 96 HIS H 1 97 ASN H 5.000 . 5.000 3.363 1.940 4.619 . 0 0 "[ . 1 . 2]" 1
450 1 96 HIS H 1 97 ASN QB 5.000 . 5.000 4.406 4.137 4.583 . 0 0 "[ . 1 . 2]" 1
451 1 98 SER QB 1 99 ALA H 5.000 . 5.000 2.897 1.979 4.056 . 0 0 "[ . 1 . 2]" 1
452 1 106 LYS H 1 107 TYR H 3.600 . 3.600 2.888 1.806 3.429 . 0 0 "[ . 1 . 2]" 1
453 1 106 LYS QG 1 107 TYR H 5.000 . 5.000 4.018 3.871 4.345 . 0 0 "[ . 1 . 2]" 1
454 1 106 LYS QD 1 107 TYR H 5.000 . 5.000 4.133 3.866 4.560 . 0 0 "[ . 1 . 2]" 1
455 1 107 TYR HA 1 108 PRO QD 5.000 . 5.000 1.866 1.837 1.900 . 0 0 "[ . 1 . 2]" 1
456 1 108 PRO HA 1 109 VAL H 2.800 . 2.800 2.332 2.175 2.525 . 0 0 "[ . 1 . 2]" 1
457 1 109 VAL HA 1 110 SER H 3.600 . 3.600 2.333 2.241 2.449 . 0 0 "[ . 1 . 2]" 1
458 1 109 VAL HB 1 110 SER H 5.000 . 5.000 4.362 4.084 4.654 . 0 0 "[ . 1 . 2]" 1
459 1 110 SER H 1 111 GLN QG 5.000 . 5.000 4.485 4.255 4.646 . 0 0 "[ . 1 . 2]" 1
460 1 110 SER HA 1 111 GLN H 5.000 . 5.000 3.110 2.196 3.575 . 0 0 "[ . 1 . 2]" 1
461 1 110 SER QB 1 111 GLN H 5.000 . 5.000 2.098 1.778 3.465 0.022 4 0 "[ . 1 . 2]" 1
462 1 110 SER HB3 1 111 GLN QB 5.000 . 5.000 3.977 3.605 4.401 . 0 0 "[ . 1 . 2]" 1
463 1 110 SER HB2 1 111 GLN QB 5.000 . 5.000 4.360 4.152 4.512 . 0 0 "[ . 1 . 2]" 1
464 1 111 GLN QB 1 112 GLN H 5.000 . 5.000 2.507 1.743 3.298 0.057 15 0 "[ . 1 . 2]" 1
465 1 111 GLN QG 1 112 GLN H 5.000 . 5.000 2.967 1.809 4.159 . 0 0 "[ . 1 . 2]" 1
466 1 112 GLN HA 1 113 ASN H 5.000 . 5.000 2.666 2.189 3.135 . 0 0 "[ . 1 . 2]" 1
467 1 112 GLN HA 1 113 ASN QB 5.000 . 5.000 4.251 3.897 4.590 . 0 0 "[ . 1 . 2]" 1
468 1 112 GLN HB3 1 113 ASN H 5.000 . 5.000 3.484 1.857 4.683 . 0 0 "[ . 1 . 2]" 1
469 1 112 GLN HB2 1 113 ASN H 5.000 . 5.000 3.511 1.888 4.557 . 0 0 "[ . 1 . 2]" 1
470 1 112 GLN QG 1 113 ASN H 5.000 . 5.000 3.780 2.409 4.453 . 0 0 "[ . 1 . 2]" 1
471 1 113 ASN H 1 114 LYS HA 5.000 . 5.000 4.511 4.014 5.101 0.101 3 0 "[ . 1 . 2]" 1
472 1 114 LYS HA 1 115 ASN H 2.800 . 2.800 2.556 2.206 2.813 0.013 4 0 "[ . 1 . 2]" 1
473 1 114 LYS HA 1 115 ASN QB 5.000 . 5.000 4.168 3.644 4.435 . 0 0 "[ . 1 . 2]" 1
474 1 114 LYS QB 1 115 ASN H 5.000 . 5.000 3.100 2.011 3.934 . 0 0 "[ . 1 . 2]" 1
475 1 115 ASN H 1 116 ALA MB 5.000 . 5.000 3.742 3.178 4.111 . 0 0 "[ . 1 . 2]" 1
476 1 115 ASN HB3 1 116 ALA H 3.600 . 3.600 2.840 1.980 3.664 0.064 18 0 "[ . 1 . 2]" 1
477 1 115 ASN HB2 1 116 ALA H 3.600 . 3.600 2.721 1.908 3.649 0.049 19 0 "[ . 1 . 2]" 1
478 1 11 TYR H 1 14 TYR QB 5.000 . 5.000 3.989 3.404 4.679 . 0 0 "[ . 1 . 2]" 1
479 1 15 SER QB 1 18 MET QB 3.600 . 3.600 1.769 1.726 2.029 0.074 18 0 "[ . 1 . 2]" 1
480 1 15 SER QB 1 18 MET H 3.600 . 3.600 3.174 2.890 3.303 . 0 0 "[ . 1 . 2]" 1
481 1 14 TYR QE 1 16 LYS H 6.000 . 6.000 5.034 3.782 5.616 . 0 0 "[ . 1 . 2]" 1
482 1 14 TYR QD 1 16 LYS H 6.000 . 6.000 4.848 3.663 5.403 . 0 0 "[ . 1 . 2]" 1
483 1 19 THR H 1 23 ALA H 5.000 . 5.000 4.659 3.608 5.012 0.012 2 0 "[ . 1 . 2]" 1
484 1 20 ARG HA 1 23 ALA H 5.000 . 5.000 3.633 3.509 3.759 . 0 0 "[ . 1 . 2]" 1
485 1 21 SER HA 1 24 GLU H 3.600 . 3.600 3.329 3.212 3.437 . 0 0 "[ . 1 . 2]" 1
486 1 22 GLN HA 1 25 GLN H 3.600 . 3.600 3.611 3.509 3.643 0.043 20 0 "[ . 1 . 2]" 1
487 1 22 GLN HA 1 26 LEU H 3.600 . 3.600 3.710 3.646 3.768 0.168 14 0 "[ . 1 . 2]" 1
488 1 23 ALA HA 1 26 LEU H 3.600 . 3.600 3.698 3.671 3.716 0.116 12 0 "[ . 1 . 2]" 1
489 1 24 GLU HA 1 27 LEU H 3.600 . 3.600 3.653 3.629 3.678 0.078 5 0 "[ . 1 . 2]" 1
490 1 24 GLU HA 1 28 LYS H 3.600 . 3.600 3.631 3.577 3.665 0.065 12 0 "[ . 1 . 2]" 1
491 1 25 GLN HA 1 28 LYS H 3.600 . 3.600 3.676 3.653 3.708 0.108 6 0 "[ . 1 . 2]" 1
492 1 25 GLN HA 1 29 GLN H 3.600 . 3.600 3.607 3.489 3.657 0.057 16 0 "[ . 1 . 2]" 1
493 1 26 LEU HA 1 29 GLN H 3.600 . 3.600 3.535 3.314 3.655 0.055 2 0 "[ . 1 . 2]" 1
494 1 26 LEU HA 1 30 GLU H 3.600 . 3.600 3.673 3.438 3.759 0.159 11 0 "[ . 1 . 2]" 1
495 1 27 LEU HA 1 30 GLU H 3.600 . 3.600 3.602 3.473 3.696 0.096 13 0 "[ . 1 . 2]" 1
496 1 28 LYS HA 1 31 GLY QA 5.000 . 5.000 3.905 3.496 4.202 . 0 0 "[ . 1 . 2]" 1
497 1 28 LYS HA 1 31 GLY H 5.000 . 5.000 3.697 3.500 3.899 . 0 0 "[ . 1 . 2]" 1
498 1 19 THR H 1 22 GLN QG 5.000 . 5.000 2.973 2.718 3.420 . 0 0 "[ . 1 . 2]" 1
499 1 19 THR MG 1 22 GLN H 3.600 . 3.600 2.807 2.721 2.929 . 0 0 "[ . 1 . 2]" 1
500 1 20 ARG HA 1 23 ALA MB 5.000 . 5.000 2.791 2.606 3.036 . 0 0 "[ . 1 . 2]" 1
501 1 19 THR MG 1 21 SER H 3.600 . 3.600 2.216 2.027 2.380 . 0 0 "[ . 1 . 2]" 1
502 1 22 GLN HA 1 25 GLN QE 5.000 . 5.000 2.884 2.164 3.414 . 0 0 "[ . 1 . 2]" 1
503 1 23 ALA HA 1 26 LEU HG 1.800 . 2.800 2.078 1.996 2.172 . 0 0 "[ . 1 . 2]" 1
504 1 23 ALA HA 1 26 LEU QD 1.800 . 2.800 1.754 1.694 1.847 0.106 5 0 "[ . 1 . 2]" 1
505 1 23 ALA MB 1 26 LEU QD 6.000 . 6.000 2.890 2.816 2.975 . 0 0 "[ . 1 . 2]" 1
506 1 23 ALA MB 1 27 LEU QD 6.000 . 6.000 2.415 2.146 2.621 . 0 0 "[ . 1 . 2]" 1
507 1 24 GLU H 1 27 LEU QD 6.000 . 6.000 3.869 3.828 3.902 . 0 0 "[ . 1 . 2]" 1
508 1 27 LEU HA 1 30 GLU QB 5.000 . 5.000 3.004 2.675 3.228 . 0 0 "[ . 1 . 2]" 1
509 1 30 GLU HA 1 32 LYS QD 5.000 . 5.000 4.406 4.097 4.587 . 0 0 "[ . 1 . 2]" 1
510 1 30 GLU HA 1 32 LYS QG 5.000 . 5.000 3.956 3.500 4.238 . 0 0 "[ . 1 . 2]" 1
511 1 30 GLU QB 1 32 LYS H 6.000 . 6.000 2.608 2.360 2.979 . 0 0 "[ . 1 . 2]" 1
512 1 30 GLU QG 1 32 LYS H 6.000 . 6.000 3.847 3.416 4.457 . 0 0 "[ . 1 . 2]" 1
513 1 32 LYS QB 1 35 GLY H 3.600 . 3.600 3.238 3.120 3.338 . 0 0 "[ . 1 . 2]" 1
514 1 43 LYS H 1 46 LYS QE 5.000 . 5.000 4.129 3.748 4.472 . 0 0 "[ . 1 . 2]" 1
515 1 42 SER H 1 44 ALA H 3.600 . 3.600 3.625 3.615 3.636 0.036 20 0 "[ . 1 . 2]" 1
516 1 44 ALA H 1 46 LYS QE 5.000 . 5.000 2.625 1.968 3.182 . 0 0 "[ . 1 . 2]" 1
517 1 41 SER QB 1 45 GLY H 3.600 . 3.600 2.749 2.675 2.808 . 0 0 "[ . 1 . 2]" 1
518 1 44 ALA MB 1 46 LYS H 5.000 . 5.000 2.658 2.604 2.748 . 0 0 "[ . 1 . 2]" 1
519 1 44 ALA MB 1 46 LYS HA 5.000 . 5.000 3.996 3.962 4.052 . 0 0 "[ . 1 . 2]" 1
520 1 52 PHE QE 1 54 LYS H 5.000 . 5.000 4.566 4.236 4.844 . 0 0 "[ . 1 . 2]" 1
521 1 56 THR H 1 58 ASP QB 5.000 . 5.000 4.478 4.425 4.512 . 0 0 "[ . 1 . 2]" 1
522 1 56 THR H 1 59 PRO QG 5.000 . 5.000 4.477 4.445 4.514 . 0 0 "[ . 1 . 2]" 1
523 1 56 THR MG 1 58 ASP H 5.000 . 5.000 3.191 1.910 4.191 . 0 0 "[ . 1 . 2]" 1
524 1 58 ASP H 1 62 VAL QG 3.600 . 3.600 1.871 1.786 1.948 0.014 12 0 "[ . 1 . 2]" 1
525 1 58 ASP QB 1 61 GLY H 3.600 . 3.600 2.733 2.583 2.806 . 0 0 "[ . 1 . 2]" 1
526 1 58 ASP HB3 1 62 VAL HB 5.000 . 5.000 4.202 4.104 4.280 . 0 0 "[ . 1 . 2]" 1
527 1 58 ASP HB3 1 62 VAL QG 3.600 . 3.600 1.791 1.700 1.899 0.100 10 0 "[ . 1 . 2]" 1
528 1 58 ASP HB2 1 62 VAL HB 5.000 . 5.000 5.033 5.000 5.060 0.060 5 0 "[ . 1 . 2]" 1
529 1 58 ASP HB2 1 62 VAL QG 3.600 . 3.600 2.264 2.104 2.406 . 0 0 "[ . 1 . 2]" 1
530 1 58 ASP HA 1 60 GLN H 3.600 . 3.600 3.415 3.344 3.513 . 0 0 "[ . 1 . 2]" 1
531 1 60 GLN H 1 62 VAL MG2 6.000 . 6.000 4.116 4.053 4.181 . 0 0 "[ . 1 . 2]" 1
532 1 58 ASP HA 1 61 GLY H 5.000 . 5.000 4.358 4.103 4.727 . 0 0 "[ . 1 . 2]" 1
533 1 71 THR H 1 75 GLN QB 5.000 . 5.000 3.251 3.076 3.410 . 0 0 "[ . 1 . 2]" 1
534 1 72 PRO HA 1 75 GLN QG 6.000 . 6.000 5.392 5.368 5.416 . 0 0 "[ . 1 . 2]" 1
535 1 71 THR MG 1 73 GLN H 2.800 . 2.800 1.981 1.919 2.142 . 0 0 "[ . 1 . 2]" 1
536 1 73 GLN H 1 75 GLN H 5.000 . 5.000 3.509 3.450 3.567 . 0 0 "[ . 1 . 2]" 1
537 1 73 GLN H 1 75 GLN QB 5.000 . 5.000 4.347 4.334 4.370 . 0 0 "[ . 1 . 2]" 1
538 1 73 GLN QB 1 75 GLN QB 5.000 . 5.000 3.534 3.488 3.553 . 0 0 "[ . 1 . 2]" 1
539 1 73 GLN QG 1 75 GLN QB 5.000 . 5.000 4.045 4.020 4.128 . 0 0 "[ . 1 . 2]" 1
540 1 71 THR H 1 75 GLN H 3.600 . 3.600 3.125 2.957 3.218 . 0 0 "[ . 1 . 2]" 1
541 1 71 THR MG 1 75 GLN H 5.000 . 5.000 2.277 2.217 2.380 . 0 0 "[ . 1 . 2]" 1
542 1 77 TYR QD 1 79 ALA H 5.000 . 5.000 2.027 1.969 2.174 . 0 0 "[ . 1 . 2]" 1
543 1 79 ALA HA 1 81 LYS H 5.000 . 5.000 3.685 3.667 3.708 . 0 0 "[ . 1 . 2]" 1
544 1 77 TYR QB 1 80 GLU HA 3.600 . 3.600 3.379 3.371 3.390 . 0 0 "[ . 1 . 2]" 1
545 1 77 TYR QD 1 80 GLU HA 5.000 . 5.000 3.139 3.121 3.164 . 0 0 "[ . 1 . 2]" 1
546 1 77 TYR QE 1 80 GLU HA 5.000 . 5.000 3.298 3.270 3.330 . 0 0 "[ . 1 . 2]" 1
547 1 80 GLU HA 1 83 LEU QD 6.000 . 6.000 3.493 3.463 3.519 . 0 0 "[ . 1 . 2]" 1
548 1 77 TYR QE 1 80 GLU QG 5.000 . 5.000 2.201 2.154 2.229 . 0 0 "[ . 1 . 2]" 1
549 1 80 GLU QG 1 83 LEU QD 6.000 . 6.000 3.763 3.750 3.771 . 0 0 "[ . 1 . 2]" 1
550 1 77 TYR QE 1 81 LYS H 6.000 . 6.000 5.259 5.230 5.285 . 0 0 "[ . 1 . 2]" 1
551 1 77 TYR QD 1 81 LYS H 6.000 . 6.000 4.603 4.577 4.628 . 0 0 "[ . 1 . 2]" 1
552 1 85 SER H 1 89 GLU QB 5.000 . 5.000 3.358 2.593 4.525 . 0 0 "[ . 1 . 2]" 1
553 1 85 SER H 1 89 GLU QG 3.600 . 3.600 2.797 2.179 3.118 . 0 0 "[ . 1 . 2]" 1
554 1 84 PHE HB3 1 86 THR H 5.000 . 5.000 2.884 2.576 3.217 . 0 0 "[ . 1 . 2]" 1
555 1 84 PHE HB2 1 86 THR H 5.000 . 5.000 3.141 2.898 3.319 . 0 0 "[ . 1 . 2]" 1
556 1 86 THR MG 1 89 GLU H 5.000 . 5.000 3.347 2.833 4.075 . 0 0 "[ . 1 . 2]" 1
557 1 87 ILE H 1 89 GLU H 5.000 . 5.000 4.142 3.842 4.721 . 0 0 "[ . 1 . 2]" 1
558 1 89 GLU H 1 91 ILE H 5.000 . 5.000 4.433 4.254 4.786 . 0 0 "[ . 1 . 2]" 1
559 1 89 GLU HA 1 93 TYR H 5.000 . 5.000 4.043 3.733 4.436 . 0 0 "[ . 1 . 2]" 1
560 1 87 ILE HA 1 90 LEU H 5.000 . 5.000 3.537 3.308 3.866 . 0 0 "[ . 1 . 2]" 1
561 1 90 LEU HA 1 93 TYR H 5.000 . 5.000 3.614 3.363 4.087 . 0 0 "[ . 1 . 2]" 1
562 1 90 LEU HA 1 93 TYR QB 5.000 . 5.000 2.826 2.239 4.032 . 0 0 "[ . 1 . 2]" 1
563 1 90 LEU HA 1 93 TYR QD 3.600 . 3.600 1.900 1.800 2.091 0.000 17 0 "[ . 1 . 2]" 1
564 1 90 LEU HA 1 93 TYR QE 5.000 . 5.000 3.584 1.933 4.176 . 0 0 "[ . 1 . 2]" 1
565 1 88 PRO HA 1 92 ASN H 5.000 . 5.000 3.945 3.686 4.319 . 0 0 "[ . 1 . 2]" 1
566 1 89 GLU HA 1 92 ASN HB3 3.600 . 3.600 3.230 2.523 3.610 0.010 13 0 "[ . 1 . 2]" 1
567 1 89 GLU HA 1 92 ASN HB2 3.600 . 3.600 3.025 2.170 3.604 0.004 5 0 "[ . 1 . 2]" 1
568 1 107 TYR QE 1 109 VAL H 6.000 . 6.000 4.861 4.471 5.553 . 0 0 "[ . 1 . 2]" 1
569 1 112 GLN HA 1 114 LYS QE 5.000 . 5.000 2.826 1.844 4.512 . 0 0 "[ . 1 . 2]" 1
570 1 20 ARG H 1 39 ARG QG 6.000 . 6.000 5.141 5.083 5.242 . 0 0 "[ . 1 . 2]" 1
571 1 23 ALA MB 1 37 ILE HB 5.000 . 5.000 3.122 2.910 3.269 . 0 0 "[ . 1 . 2]" 1
572 1 23 ALA MB 1 37 ILE MD 5.000 . 5.000 2.405 1.959 2.815 . 0 0 "[ . 1 . 2]" 1
573 1 27 LEU QD 1 35 GLY H 1.800 . 7.000 3.200 3.110 3.343 . 0 0 "[ . 1 . 2]" 1
574 1 27 LEU QD 1 36 PHE H 7.000 . 7.000 3.669 3.216 4.072 . 0 0 "[ . 1 . 2]" 1
575 1 23 ALA MB 1 50 SER QB 2.800 . 2.800 1.999 1.903 2.097 . 0 0 "[ . 1 . 2]" 1
576 1 27 LEU QD 1 52 PHE H 2.800 . 2.800 1.958 1.882 2.145 . 0 0 "[ . 1 . 2]" 1
577 1 20 ARG HA 1 65 HIS QB 5.000 . 5.000 4.082 3.767 4.404 . 0 0 "[ . 1 . 2]" 1
578 1 23 ALA MB 1 65 HIS HD1 6.000 . 6.000 2.962 2.602 3.254 . 0 0 "[ . 1 . 2]" 1
579 1 24 GLU H 1 63 ILE MG 5.000 . 5.000 3.725 3.484 3.922 . 0 0 "[ . 1 . 2]" 1
580 1 24 GLU H 1 63 ILE HB 6.000 . 6.000 5.757 5.466 6.025 0.025 17 0 "[ . 1 . 2]" 1
581 1 24 GLU HA 1 63 ILE HB 5.000 . 5.000 3.826 3.692 4.009 . 0 0 "[ . 1 . 2]" 1
582 1 24 GLU HA 1 63 ILE MG 3.600 . 3.600 1.842 1.781 1.951 0.019 6 0 "[ . 1 . 2]" 1
583 1 24 GLU H 1 65 HIS HE1 3.600 . 3.600 2.846 2.545 3.295 . 0 0 "[ . 1 . 2]" 1
584 1 24 GLU H 1 65 HIS HD1 5.000 . 5.000 4.845 4.459 5.024 0.024 5 0 "[ . 1 . 2]" 1
585 1 28 LYS H 1 63 ILE QG 5.000 . 5.000 4.368 4.319 4.413 . 0 0 "[ . 1 . 2]" 1
586 1 28 LYS QE 1 61 GLY H 5.000 . 5.000 4.225 4.109 4.307 . 0 0 "[ . 1 . 2]" 1
587 1 28 LYS QZ 1 61 GLY H 5.000 . 5.000 3.873 3.502 4.038 . 0 0 "[ . 1 . 2]" 1
588 1 35 GLY H 1 52 PHE H 2.800 . 2.800 2.953 2.887 3.022 0.222 2 0 "[ . 1 . 2]" 1
589 1 35 GLY H 1 52 PHE QD 5.000 . 5.000 2.527 2.198 2.696 . 0 0 "[ . 1 . 2]" 1
590 1 36 PHE QB 1 51 VAL HA 5.000 . 5.000 4.171 3.806 4.391 . 0 0 "[ . 1 . 2]" 1
591 1 36 PHE QB 1 51 VAL MG1 5.000 . 5.000 2.723 2.005 3.207 . 0 0 "[ . 1 . 2]" 1
592 1 37 ILE H 1 50 SER H 3.600 . 3.600 3.043 2.850 3.233 . 0 0 "[ . 1 . 2]" 1
593 1 37 ILE H 1 50 SER QB 3.600 . 3.600 3.314 3.217 3.387 . 0 0 "[ . 1 . 2]" 1
594 1 37 ILE H 1 49 VAL MG1 5.000 . 5.000 3.377 3.167 3.503 . 0 0 "[ . 1 . 2]" 1
595 1 37 ILE H 1 51 VAL MG1 5.000 . 5.000 2.594 2.444 2.752 . 0 0 "[ . 1 . 2]" 1
596 1 38 VAL HA 1 49 VAL HA 2.800 . 2.800 2.335 2.099 2.486 . 0 0 "[ . 1 . 2]" 1
597 1 38 VAL HA 1 49 VAL MG2 6.000 . 6.000 3.557 3.342 3.791 . 0 0 "[ . 1 . 2]" 1
598 1 38 VAL QG 1 49 VAL HA 3.600 . 3.600 1.985 1.861 2.430 . 0 0 "[ . 1 . 2]" 1
599 1 38 VAL MG1 1 48 THR H 3.600 . 3.600 2.866 2.727 2.932 . 0 0 "[ . 1 . 2]" 1
600 1 39 ARG QG 1 48 THR HB 3.600 . 3.600 2.084 1.927 2.373 . 0 0 "[ . 1 . 2]" 1
601 1 39 ARG QG 1 48 THR H 5.000 . 5.000 2.934 2.694 3.247 . 0 0 "[ . 1 . 2]" 1
602 1 40 ASP HA 1 47 TYR HA 3.600 . 3.600 2.627 2.017 2.896 . 0 0 "[ . 1 . 2]" 1
603 1 37 ILE MG 1 50 SER H 6.000 . 6.000 3.768 3.429 4.257 . 0 0 "[ . 1 . 2]" 1
604 1 36 PHE QD 1 51 VAL HA 5.000 . 5.000 4.547 4.327 4.686 . 0 0 "[ . 1 . 2]" 1
605 1 37 ILE H 1 51 VAL HA 3.600 . 3.600 3.266 3.082 3.381 . 0 0 "[ . 1 . 2]" 1
606 1 37 ILE MD 1 51 VAL HA 6.000 . 6.000 4.854 4.637 4.963 . 0 0 "[ . 1 . 2]" 1
607 1 36 PHE QB 1 52 PHE H 6.000 . 6.000 5.160 4.819 5.314 . 0 0 "[ . 1 . 2]" 1
608 1 47 TYR H 1 67 VAL MG1 5.000 . 5.000 4.085 4.053 4.111 . 0 0 "[ . 1 . 2]" 1
609 1 48 THR HA 1 67 VAL HA 2.800 . 2.800 1.798 1.772 1.853 0.028 7 0 "[ . 1 . 2]" 1
610 1 48 THR HA 1 67 VAL HB 5.000 . 5.000 4.533 4.489 4.605 . 0 0 "[ . 1 . 2]" 1
611 1 48 THR HA 1 67 VAL MG2 3.600 . 3.600 2.811 2.653 2.871 . 0 0 "[ . 1 . 2]" 1
612 1 48 THR HA 1 68 VAL H 3.600 . 3.600 3.477 3.362 3.608 0.008 19 0 "[ . 1 . 2]" 1
613 1 48 THR HA 1 68 VAL MG2 5.000 . 5.000 3.967 3.869 4.031 . 0 0 "[ . 1 . 2]" 1
614 1 48 THR MG 1 65 HIS HA 5.000 . 5.000 3.474 3.369 3.570 . 0 0 "[ . 1 . 2]" 1
615 1 48 THR MG 1 65 HIS QB 2.800 . 2.800 2.139 2.055 2.265 . 0 0 "[ . 1 . 2]" 1
616 1 48 THR MG 1 66 TYR H 5.000 . 5.000 3.764 3.648 3.906 . 0 0 "[ . 1 . 2]" 1
617 1 49 VAL H 1 67 VAL HA 2.800 . 2.800 2.915 2.878 2.958 0.158 5 0 "[ . 1 . 2]" 1
618 1 49 VAL H 1 65 HIS QB 5.000 . 5.000 4.401 4.361 4.479 . 0 0 "[ . 1 . 2]" 1
619 1 49 VAL H 1 66 TYR QB 3.600 . 3.600 3.037 2.997 3.096 . 0 0 "[ . 1 . 2]" 1
620 1 49 VAL MG1 1 66 TYR H 5.000 . 5.000 3.413 3.068 3.643 . 0 0 "[ . 1 . 2]" 1
621 1 50 SER HA 1 65 HIS HA 2.800 . 2.800 1.901 1.807 2.054 . 0 0 "[ . 1 . 2]" 1
622 1 50 SER HA 1 65 HIS QB 5.000 . 5.000 3.173 2.944 3.386 . 0 0 "[ . 1 . 2]" 1
623 1 50 SER QB 1 65 HIS HA 5.000 . 5.000 4.021 3.923 4.172 . 0 0 "[ . 1 . 2]" 1
624 1 51 VAL H 1 64 ARG H 3.600 . 3.600 3.057 2.896 3.186 . 0 0 "[ . 1 . 2]" 1
625 1 51 VAL H 1 65 HIS HD1 5.000 . 5.000 3.978 3.279 5.016 0.016 6 0 "[ . 1 . 2]" 1
626 1 51 VAL H 1 66 TYR QD 5.000 . 5.000 4.871 4.719 4.949 . 0 0 "[ . 1 . 2]" 1
627 1 51 VAL H 1 63 ILE MG 5.000 . 5.000 4.034 3.965 4.081 . 0 0 "[ . 1 . 2]" 1
628 1 52 PHE HA 1 63 ILE HA 1.800 . 2.800 1.897 1.833 1.959 . 0 0 "[ . 1 . 2]" 1
629 1 50 SER HA 1 66 TYR H 3.600 . 3.600 3.492 3.377 3.623 0.023 17 0 "[ . 1 . 2]" 1
630 1 32 LYS H 1 52 PHE QE 5.000 . 5.000 1.904 1.709 2.426 0.091 16 0 "[ . 1 . 2]" 1
631 1 32 LYS H 1 52 PHE HZ 5.000 . 5.000 2.946 1.981 4.077 . 0 0 "[ . 1 . 2]" 1
632 1 33 GLU HA 1 52 PHE QE 5.000 . 5.000 3.984 3.051 4.467 . 0 0 "[ . 1 . 2]" 1
633 1 41 SER H 1 47 TYR HA 3.600 . 3.600 3.520 3.172 3.613 0.013 10 0 "[ . 1 . 2]" 1
634 1 41 SER H 1 47 TYR QE 6.000 . 6.000 4.499 3.833 5.509 . 0 0 "[ . 1 . 2]" 1
635 1 52 PHE QD 1 62 VAL H 6.000 . 6.000 2.566 2.200 3.169 . 0 0 "[ . 1 . 2]" 1
636 1 52 PHE QE 1 62 VAL H 6.000 . 6.000 2.971 2.642 3.287 . 0 0 "[ . 1 . 2]" 1
637 1 47 TYR H 1 87 ILE MD 2.800 . 2.800 2.014 1.924 2.150 . 0 0 "[ . 1 . 2]" 1
638 1 47 TYR QD 1 87 ILE H 5.000 . 5.000 3.969 3.700 4.421 . 0 0 "[ . 1 . 2]" 1
639 1 47 TYR QE 1 87 ILE H 5.000 . 5.000 3.800 3.491 4.383 . 0 0 "[ . 1 . 2]" 1
640 1 68 VAL MG1 1 77 TYR H 3.600 . 3.600 2.098 1.947 2.299 . 0 0 "[ . 1 . 2]" 1
641 1 68 VAL MG2 1 77 TYR H 6.000 . 6.000 4.508 4.399 4.611 . 0 0 "[ . 1 . 2]" 1
642 1 53 ALA H 1 63 ILE HA 3.600 . 3.600 3.639 3.570 3.662 0.062 19 0 "[ . 1 . 2]" 1
643 1 66 TYR HA 1 78 LEU QD 3.600 . 3.600 2.463 2.199 2.744 . 0 0 "[ . 1 . 2]" 1
644 1 67 VAL HB 1 78 LEU HA 5.000 . 5.000 5.042 5.012 5.059 0.059 13 0 "[ . 1 . 2]" 1
645 1 44 ALA MB 1 69 CYS HA 5.000 . 5.000 3.660 3.381 3.904 . 0 0 "[ . 1 . 2]" 1
646 1 69 CYS H 1 77 TYR QD 5.000 . 5.000 3.983 3.896 4.084 . 0 0 "[ . 1 . 2]" 1
647 1 70 SER HA 1 76 TYR HA 2.800 . 2.800 2.021 1.879 2.226 . 0 0 "[ . 1 . 2]" 1
648 1 70 SER QB 1 76 TYR HA 5.000 . 5.000 3.470 3.139 4.199 . 0 0 "[ . 1 . 2]" 1
649 1 70 SER H 1 77 TYR QD 6.000 . 6.000 5.650 5.614 5.692 . 0 0 "[ . 1 . 2]" 1
650 1 70 SER H 1 77 TYR QE 6.000 . 6.000 4.897 4.809 4.992 . 0 0 "[ . 1 . 2]" 1
651 1 69 CYS H 1 77 TYR H 2.800 . 2.800 2.676 2.310 2.813 0.013 16 0 "[ . 1 . 2]" 1
652 1 70 SER QB 1 77 TYR H 6.000 . 6.000 4.817 4.513 5.419 . 0 0 "[ . 1 . 2]" 1
653 1 46 LYS QZ 1 70 SER H 5.000 . 5.000 3.827 3.602 4.083 . 0 0 "[ . 1 . 2]" 1
654 1 44 ALA MB 1 70 SER H 3.600 . 3.600 3.007 2.941 3.034 . 0 0 "[ . 1 . 2]" 1
655 1 69 CYS QB 1 78 LEU HA 3.600 . 3.600 3.288 3.168 3.357 . 0 0 "[ . 1 . 2]" 1
656 1 76 TYR H 1 83 LEU HG 3.600 . 3.600 3.802 3.788 3.814 0.214 18 0 "[ . 1 . 2]" 1
657 1 76 TYR H 1 85 SER HA 3.600 . 3.600 3.644 3.617 3.667 0.067 5 0 "[ . 1 . 2]" 1
658 1 77 TYR QB 1 83 LEU HA 2.800 . 2.800 1.961 1.932 2.017 . 0 0 "[ . 1 . 2]" 1
659 1 77 TYR H 1 90 LEU MD1 3.600 . 3.600 3.067 2.876 3.194 . 0 0 "[ . 1 . 2]" 1
660 1 77 TYR HA 1 90 LEU HG 5.000 . 5.000 4.021 3.608 4.222 . 0 0 "[ . 1 . 2]" 1
661 1 77 TYR HA 1 90 LEU QD 2.800 . 2.800 1.744 1.670 1.813 0.130 3 0 "[ . 1 . 2]" 1
662 1 71 THR H 1 76 TYR QD 5.000 . 5.000 4.793 4.649 4.887 . 0 0 "[ . 1 . 2]" 1
663 1 71 THR H 1 77 TYR QD 6.000 . 6.000 4.180 3.995 4.470 . 0 0 "[ . 1 . 2]" 1
664 1 71 THR MG 1 76 TYR H 5.000 . 5.000 4.103 4.026 4.130 . 0 0 "[ . 1 . 2]" 1
665 1 77 TYR QB 1 82 HIS H 3.600 . 3.600 3.297 3.284 3.311 . 0 0 "[ . 1 . 2]" 1
666 1 77 TYR QD 1 82 HIS H 6.000 . 6.000 4.596 4.562 4.626 . 0 0 "[ . 1 . 2]" 1
667 1 76 TYR QD 1 86 THR H 5.000 . 5.000 2.824 2.713 3.044 . 0 0 "[ . 1 . 2]" 1
668 1 76 TYR QD 1 86 THR HA 3.600 . 3.600 3.354 3.281 3.427 . 0 0 "[ . 1 . 2]" 1
669 1 76 TYR QE 1 86 THR HA 3.600 . 3.600 3.529 3.488 3.650 0.050 5 0 "[ . 1 . 2]" 1
670 1 76 TYR QE 1 87 ILE H 3.600 . 6.400 5.220 5.122 5.433 . 0 0 "[ . 1 . 2]" 1
671 1 76 TYR QD 1 87 ILE H 3.600 . 6.400 4.690 4.548 4.917 . 0 0 "[ . 1 . 2]" 1
672 1 83 LEU HA 1 90 LEU HG 5.000 . 5.000 3.668 3.416 3.929 . 0 0 "[ . 1 . 2]" 1
673 1 84 PHE H 1 90 LEU QD 3.600 . 3.600 2.236 1.909 2.554 . 0 0 "[ . 1 . 2]" 1
674 1 84 PHE QB 1 90 LEU H 3.600 . 3.600 3.222 3.052 3.301 . 0 0 "[ . 1 . 2]" 1
675 1 33 GLU HA 1 53 ALA MB 5.000 . 5.000 2.289 1.931 2.911 . 0 0 "[ . 1 . 2]" 1
676 1 33 GLU HA 1 54 LYS QB 5.000 . 5.000 3.724 3.491 4.147 . 0 0 "[ . 1 . 2]" 1
677 1 34 GLY QA 1 53 ALA MB 5.000 . 5.000 2.538 2.353 2.758 . 0 0 "[ . 1 . 2]" 1
678 1 33 GLU QB 1 53 ALA MB 3.600 . 3.600 2.413 2.321 2.657 . 0 0 "[ . 1 . 2]" 1
679 1 34 GLY H 1 53 ALA MB 2.800 . 2.800 2.127 1.954 2.264 . 0 0 "[ . 1 . 2]" 1
680 1 34 GLY H 1 53 ALA HA 3.600 . 3.600 1.950 1.879 1.982 . 0 0 "[ . 1 . 2]" 1
681 1 33 GLU HA 1 54 LYS H 2.800 . 2.800 2.189 1.837 2.708 . 0 0 "[ . 1 . 2]" 1
682 1 33 GLU QB 1 54 LYS H 3.600 . 3.600 2.200 1.892 2.489 . 0 0 "[ . 1 . 2]" 1
683 1 34 GLY QA 1 54 LYS H 6.000 . 6.000 5.436 5.397 5.473 . 0 0 "[ . 1 . 2]" 1
684 1 41 SER H 1 46 LYS QG 5.000 . 5.000 3.982 3.640 4.295 . 0 0 "[ . 1 . 2]" 1
685 1 41 SER QB 1 46 LYS QE 5.000 . 5.000 2.914 2.041 3.255 . 0 0 "[ . 1 . 2]" 1
686 1 41 SER HB3 1 46 LYS QB 5.000 . 5.000 4.084 3.972 4.378 . 0 0 "[ . 1 . 2]" 1
687 1 41 SER HB2 1 46 LYS QB 5.000 . 5.000 4.172 4.083 4.465 . 0 0 "[ . 1 . 2]" 1
688 1 41 SER QB 1 46 LYS H 2.800 . 2.800 2.042 1.915 2.263 . 0 0 "[ . 1 . 2]" 1
689 1 53 ALA H 1 62 VAL H 3.600 . 3.600 2.498 2.382 2.599 . 0 0 "[ . 1 . 2]" 1
690 1 53 ALA H 1 62 VAL QG 5.000 . 5.000 3.211 3.062 3.362 . 0 0 "[ . 1 . 2]" 1
691 1 53 ALA MB 1 62 VAL HB 3.600 . 3.600 2.637 2.496 2.770 . 0 0 "[ . 1 . 2]" 1
692 1 53 ALA MB 1 62 VAL QG 5.000 . 5.000 2.998 2.927 3.049 . 0 0 "[ . 1 . 2]" 1
693 1 53 ALA MB 1 62 VAL H 5.000 . 5.000 3.993 3.757 4.137 . 0 0 "[ . 1 . 2]" 1
694 1 54 LYS HA 1 60 GLN HA 3.600 . 3.600 3.666 3.628 3.696 0.096 12 0 "[ . 1 . 2]" 1
695 1 54 LYS HA 1 61 GLY QA 3.600 . 3.600 3.031 2.966 3.143 . 0 0 "[ . 1 . 2]" 1
696 1 54 LYS HA 1 62 VAL H 3.600 . 3.600 3.131 2.830 3.287 . 0 0 "[ . 1 . 2]" 1
697 1 55 SER HA 1 59 PRO HA 2.800 . 2.800 2.247 1.970 2.486 . 0 0 "[ . 1 . 2]" 1
698 1 54 LYS HA 1 61 GLY H 3.600 . 3.600 2.450 2.033 2.718 . 0 0 "[ . 1 . 2]" 1
699 1 54 LYS QB 1 61 GLY H 5.000 . 5.000 4.017 3.463 4.422 . 0 0 "[ . 1 . 2]" 1
700 1 54 LYS QD 1 61 GLY H 5.000 . 5.000 3.864 2.676 4.557 . 0 0 "[ . 1 . 2]" 1
701 1 54 LYS QE 1 61 GLY H 5.000 . 5.000 4.328 3.606 4.564 . 0 0 "[ . 1 . 2]" 1
702 1 54 LYS QG 1 61 GLY H 5.000 . 5.000 3.296 2.474 4.357 . 0 0 "[ . 1 . 2]" 1
703 1 75 GLN QG 1 85 SER HA 5.000 . 5.000 4.346 4.307 4.373 . 0 0 "[ . 1 . 2]" 1
704 1 12 GLU QB 1 108 PRO HA 3.600 . 3.600 2.928 2.862 2.998 . 0 0 "[ . 1 . 2]" 1
705 1 12 GLU QB 1 109 VAL HA 3.600 . 3.600 3.208 3.113 3.325 . 0 0 "[ . 1 . 2]" 1
706 1 12 GLU QG 1 108 PRO HA 5.000 . 5.000 4.484 4.294 4.596 . 0 0 "[ . 1 . 2]" 1
707 1 12 GLU QG 1 109 VAL H 5.000 . 5.000 3.883 3.409 4.414 . 0 0 "[ . 1 . 2]" 1
708 1 12 GLU QG 1 109 VAL HA 3.600 . 3.600 2.212 1.873 2.622 . 0 0 "[ . 1 . 2]" 1
709 1 13 TRP H 1 36 PHE HD1 5.000 . 5.000 5.004 4.893 5.058 0.058 11 0 "[ . 1 . 2]" 1
710 1 13 TRP H 1 108 PRO HA 5.000 . 5.000 2.682 2.519 2.975 . 0 0 "[ . 1 . 2]" 1
711 1 13 TRP H 1 108 PRO QB 5.000 . 5.000 2.477 2.326 2.677 . 0 0 "[ . 1 . 2]" 1
712 1 13 TRP HA 1 108 PRO QB 5.000 . 5.000 4.495 4.370 4.543 . 0 0 "[ . 1 . 2]" 1
713 1 13 TRP HA 1 108 PRO HA 5.000 . 5.000 3.458 3.307 3.590 . 0 0 "[ . 1 . 2]" 1
714 1 13 TRP HA 1 37 ILE HA 5.000 . 5.000 2.106 1.872 2.513 . 0 0 "[ . 1 . 2]" 1
715 1 13 TRP HA 1 37 ILE MG 5.000 . 5.000 2.824 2.163 3.314 . 0 0 "[ . 1 . 2]" 1
716 1 14 TYR HA 1 38 VAL HB 2.800 . 2.800 2.741 2.519 2.851 0.051 7 0 "[ . 1 . 2]" 1
717 1 15 SER QB 1 37 ILE MG 5.000 . 5.000 3.068 2.921 3.616 . 0 0 "[ . 1 . 2]" 1
718 1 15 SER H 1 37 ILE MG 5.000 . 5.000 3.933 3.554 4.089 . 0 0 "[ . 1 . 2]" 1
719 1 15 SER H 1 40 ASP H 5.000 . 5.000 5.003 4.627 5.046 0.046 7 0 "[ . 1 . 2]" 1
720 1 15 SER H 1 38 VAL HB 5.000 . 5.000 3.921 3.806 4.006 . 0 0 "[ . 1 . 2]" 1
721 1 16 LYS HA 1 39 ARG QB 5.000 . 5.000 4.219 3.740 4.469 . 0 0 "[ . 1 . 2]" 1
722 1 16 LYS HA 1 40 ASP H 3.600 . 3.600 3.510 2.223 3.669 0.069 4 0 "[ . 1 . 2]" 1
723 1 17 HIS H 1 39 ARG QB 3.600 . 3.600 2.851 2.536 2.983 . 0 0 "[ . 1 . 2]" 1
724 1 17 HIS H 1 40 ASP H 2.800 . 2.800 2.557 2.131 2.942 0.142 15 0 "[ . 1 . 2]" 1
725 1 18 MET H 1 39 ARG QB 2.800 . 2.800 1.909 1.784 2.165 0.016 3 0 "[ . 1 . 2]" 1
726 1 18 MET QB 1 111 GLN QE 5.000 . 5.000 3.519 2.915 3.931 . 0 0 "[ . 1 . 2]" 1
727 1 18 MET QG 1 23 ALA H 5.000 . 5.000 3.435 2.842 4.095 . 0 0 "[ . 1 . 2]" 1
728 1 18 MET QG 1 23 ALA MB 5.000 . 5.000 3.128 2.412 3.597 . 0 0 "[ . 1 . 2]" 1
729 1 26 LEU QB 1 112 GLN QB 5.000 . 5.000 3.736 3.025 4.070 . 0 0 "[ . 1 . 2]" 1
730 1 26 LEU HB3 1 114 LYS QE 3.600 . 3.600 3.048 2.498 3.297 . 0 0 "[ . 1 . 2]" 1
731 1 26 LEU HB2 1 114 LYS QE 2.800 . 2.800 2.103 1.791 2.478 0.009 3 0 "[ . 1 . 2]" 1
732 1 27 LEU HA 1 109 VAL QG 5.000 . 5.000 2.979 2.760 3.156 . 0 0 "[ . 1 . 2]" 1
733 1 30 GLU HB3 1 114 LYS HA 5.000 . 5.000 4.774 4.245 5.062 0.062 13 0 "[ . 1 . 2]" 1
734 1 30 GLU QB 1 109 VAL HA 6.000 . 6.000 5.464 5.404 5.522 . 0 0 "[ . 1 . 2]" 1
735 1 30 GLU QG 1 109 VAL HA 5.000 . 5.000 4.286 4.084 4.381 . 0 0 "[ . 1 . 2]" 1
736 1 30 GLU QG 1 114 LYS HA 5.000 . 5.000 2.988 1.741 4.546 0.059 1 0 "[ . 1 . 2]" 1
737 1 30 GLU HB2 1 114 LYS HA 3.600 . 3.600 3.663 3.612 3.730 0.130 18 0 "[ . 1 . 2]" 1
738 1 33 GLU H 1 107 TYR QB 6.000 . 6.000 5.254 4.508 5.444 . 0 0 "[ . 1 . 2]" 1
739 1 35 GLY H 1 107 TYR HB2 5.000 . 5.000 4.959 4.722 5.087 0.087 2 0 "[ . 1 . 2]" 1
740 1 35 GLY H 1 107 TYR QD 6.000 . 6.000 5.207 3.896 5.697 . 0 0 "[ . 1 . 2]" 1
741 1 36 PHE H 1 107 TYR H 2.800 . 2.800 2.690 2.032 2.879 0.079 8 0 "[ . 1 . 2]" 1
742 1 36 PHE H 1 107 TYR HB2 5.000 . 5.000 4.625 4.405 4.952 . 0 0 "[ . 1 . 2]" 1
743 1 36 PHE H 1 107 TYR QD 5.000 . 5.000 3.919 3.524 4.192 . 0 0 "[ . 1 . 2]" 1
744 1 36 PHE H 1 109 VAL H 5.000 . 5.000 3.544 2.604 4.583 . 0 0 "[ . 1 . 2]" 1
745 1 36 PHE H 1 109 VAL QG 6.000 . 6.000 2.914 2.356 4.006 . 0 0 "[ . 1 . 2]" 1
746 1 36 PHE QB 1 105 LEU HG 3.600 . 3.600 2.397 1.863 2.753 . 0 0 "[ . 1 . 2]" 1
747 1 36 PHE QB 1 105 LEU QD 3.600 . 3.600 1.984 1.819 2.446 . 0 0 "[ . 1 . 2]" 1
748 1 36 PHE QB 1 107 TYR H 2.800 . 2.800 2.588 2.382 2.707 . 0 0 "[ . 1 . 2]" 1
749 1 13 TRP QB 1 37 ILE HA 2.800 . 2.800 2.302 1.992 2.555 . 0 0 "[ . 1 . 2]" 1
750 1 14 TYR QE 1 39 ARG HA 5.000 . 5.000 4.292 3.797 4.863 . 0 0 "[ . 1 . 2]" 1
751 1 5 GLU QG 1 87 ILE H 5.000 . 5.000 4.316 4.177 4.525 . 0 0 "[ . 1 . 2]" 1
752 1 3 GLU QB 1 89 GLU QB 5.000 . 5.000 3.504 2.830 3.903 . 0 0 "[ . 1 . 2]" 1
753 1 96 HIS H 1 104 ARG QD 5.000 . 5.000 4.090 2.638 4.528 . 0 0 "[ . 1 . 2]" 1
754 1 35 GLY QA 1 107 TYR H 3.600 . 3.600 2.849 2.787 2.951 . 0 0 "[ . 1 . 2]" 1
755 1 37 ILE MD 1 110 SER HA 5.000 . 5.000 2.917 1.757 3.948 0.043 19 0 "[ . 1 . 2]" 1
756 1 26 LEU QD 1 110 SER HA 6.000 . 6.000 3.260 2.204 4.202 . 0 0 "[ . 1 . 2]" 1
757 1 26 LEU QD 1 111 GLN H 6.000 . 6.000 3.088 1.864 3.742 . 0 0 "[ . 1 . 2]" 1
758 1 26 LEU QD 1 111 GLN HA 6.000 . 6.000 1.787 1.679 1.907 0.121 15 0 "[ . 1 . 2]" 1
759 1 37 ILE MD 1 111 GLN HA 5.000 . 5.000 4.112 3.514 4.273 . 0 0 "[ . 1 . 2]" 1
760 1 26 LEU QD 1 111 GLN QG 6.000 . 6.000 3.431 2.895 3.801 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 227
_Distance_constraint_stats_list.Viol_total 146.569
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0070
_Distance_constraint_stats_list.Viol_average_violations_only 0.0323
_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 19 THR 0.219 0.056 5 0 "[ . 1 . 2]"
1 20 ARG 1.517 0.097 9 0 "[ . 1 . 2]"
1 21 SER 0.021 0.013 9 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.219 0.056 5 0 "[ . 1 . 2]"
1 24 GLU 1.517 0.097 9 0 "[ . 1 . 2]"
1 25 GLN 0.021 0.013 9 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 1.267 0.068 6 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 1.390 0.066 8 0 "[ . 1 . 2]"
1 47 TYR 0.653 0.042 15 0 "[ . 1 . 2]"
1 48 THR 1.390 0.066 8 0 "[ . 1 . 2]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.906 0.046 6 0 "[ . 1 . 2]"
1 52 PHE 1.267 0.068 6 0 "[ . 1 . 2]"
1 64 ARG 0.906 0.046 6 0 "[ . 1 . 2]"
1 66 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.653 0.042 15 0 "[ . 1 . 2]"
1 69 CYS 0.001 0.001 12 0 "[ . 1 . 2]"
1 76 TYR 0.126 0.024 18 0 "[ . 1 . 2]"
1 77 TYR 0.001 0.001 12 0 "[ . 1 . 2]"
1 84 PHE 0.126 0.024 18 0 "[ . 1 . 2]"
1 86 THR 0.925 0.099 3 0 "[ . 1 . 2]"
1 87 ILE 0.022 0.013 6 0 "[ . 1 . 2]"
1 88 PRO 0.096 0.017 15 0 "[ . 1 . 2]"
1 89 GLU 0.187 0.050 7 0 "[ . 1 . 2]"
1 90 LEU 0.925 0.099 3 0 "[ . 1 . 2]"
1 91 ILE 0.022 0.013 6 0 "[ . 1 . 2]"
1 92 ASN 0.096 0.017 15 0 "[ . 1 . 2]"
1 93 TYR 0.187 0.050 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 19 THR O 1 23 ALA H 1.900 . 2.200 2.039 1.728 2.141 . 0 0 "[ . 1 . 2]" 2
2 1 19 THR O 1 23 ALA N 2.700 2.100 3.000 2.974 2.699 3.056 0.056 5 0 "[ . 1 . 2]" 2
3 1 20 ARG O 1 24 GLU H 1.900 . 2.200 2.130 2.104 2.155 . 0 0 "[ . 1 . 2]" 2
4 1 20 ARG O 1 24 GLU N 2.700 2.100 3.000 3.076 3.052 3.097 0.097 9 0 "[ . 1 . 2]" 2
5 1 21 SER O 1 25 GLN H 1.900 . 2.200 1.956 1.873 2.036 . 0 0 "[ . 1 . 2]" 2
6 1 21 SER O 1 25 GLN N 2.700 2.100 3.000 2.931 2.847 3.013 0.013 9 0 "[ . 1 . 2]" 2
7 1 22 GLN O 1 26 LEU H 1.900 . 2.200 1.823 1.762 1.903 . 0 0 "[ . 1 . 2]" 2
8 1 22 GLN O 1 26 LEU N 2.700 2.100 3.000 2.789 2.727 2.846 . 0 0 "[ . 1 . 2]" 2
9 1 23 ALA O 1 27 LEU H 1.900 . 2.200 1.774 1.721 1.847 . 0 0 "[ . 1 . 2]" 2
10 1 23 ALA O 1 27 LEU N 2.700 2.100 3.000 2.554 2.518 2.595 . 0 0 "[ . 1 . 2]" 2
11 1 24 GLU O 1 28 LYS H 1.900 . 2.200 1.788 1.724 1.844 . 0 0 "[ . 1 . 2]" 2
12 1 24 GLU O 1 28 LYS N 2.700 2.100 3.000 2.757 2.696 2.811 . 0 0 "[ . 1 . 2]" 2
13 1 25 GLN O 1 29 GLN H 1.900 . 2.200 1.826 1.705 1.912 . 0 0 "[ . 1 . 2]" 2
14 1 25 GLN O 1 29 GLN N 2.700 2.100 3.000 2.738 2.603 2.854 . 0 0 "[ . 1 . 2]" 2
15 1 35 GLY H 1 52 PHE O 1.900 . 2.200 2.018 1.789 2.211 0.011 2 0 "[ . 1 . 2]" 2
16 1 35 GLY N 1 52 PHE O 2.700 2.100 3.000 2.687 2.504 2.850 . 0 0 "[ . 1 . 2]" 2
17 1 37 ILE H 1 50 SER O 1.900 . 2.200 1.790 1.697 2.004 . 0 0 "[ . 1 . 2]" 2
18 1 37 ILE N 1 50 SER O 2.700 2.100 3.000 2.584 2.515 2.766 . 0 0 "[ . 1 . 2]" 2
19 1 39 ARG H 1 48 THR O 1.900 . 2.200 2.223 2.186 2.245 0.045 9 0 "[ . 1 . 2]" 2
20 1 39 ARG N 1 48 THR O 2.700 2.100 3.000 3.039 3.012 3.066 0.066 8 0 "[ . 1 . 2]" 2
21 1 39 ARG O 1 48 THR H 1.900 . 2.200 2.055 1.850 2.172 . 0 0 "[ . 1 . 2]" 2
22 1 39 ARG O 1 48 THR N 2.700 2.100 3.000 2.939 2.736 3.040 0.040 15 0 "[ . 1 . 2]" 2
23 1 49 VAL H 1 66 TYR O 1.900 . 2.200 1.387 1.337 1.408 . 0 0 "[ . 1 . 2]" 2
24 1 49 VAL N 1 66 TYR O 2.700 2.100 3.000 2.371 2.323 2.392 . 0 0 "[ . 1 . 2]" 2
25 1 37 ILE O 1 50 SER H 1.900 . 2.200 1.736 1.563 1.804 . 0 0 "[ . 1 . 2]" 2
26 1 37 ILE O 1 50 SER N 2.700 2.100 3.000 2.551 2.489 2.597 . 0 0 "[ . 1 . 2]" 2
27 1 51 VAL H 1 64 ARG O 1.900 . 2.200 2.034 1.969 2.060 . 0 0 "[ . 1 . 2]" 2
28 1 51 VAL N 1 64 ARG O 2.700 2.100 3.000 3.014 2.952 3.043 0.043 11 0 "[ . 1 . 2]" 2
29 1 35 GLY O 1 52 PHE H 1.900 . 2.200 2.230 2.157 2.268 0.068 6 0 "[ . 1 . 2]" 2
30 1 35 GLY O 1 52 PHE N 2.700 2.100 3.000 3.025 2.982 3.058 0.058 7 0 "[ . 1 . 2]" 2
31 1 51 VAL O 1 64 ARG H 1.900 . 2.200 2.228 2.208 2.246 0.046 6 0 "[ . 1 . 2]" 2
32 1 51 VAL O 1 64 ARG N 2.700 2.100 3.000 2.889 2.830 2.963 . 0 0 "[ . 1 . 2]" 2
33 1 49 VAL O 1 66 TYR H 1.900 . 2.200 1.734 1.650 1.814 . 0 0 "[ . 1 . 2]" 2
34 1 49 VAL O 1 66 TYR N 2.700 2.100 3.000 2.562 2.494 2.656 . 0 0 "[ . 1 . 2]" 2
35 1 47 TYR O 1 68 VAL H 1.900 . 2.200 2.203 2.138 2.239 0.039 9 0 "[ . 1 . 2]" 2
36 1 47 TYR O 1 68 VAL N 2.700 2.100 3.000 3.007 2.895 3.042 0.042 15 0 "[ . 1 . 2]" 2
37 1 69 CYS H 1 77 TYR O 1.900 . 2.200 1.481 1.428 1.558 . 0 0 "[ . 1 . 2]" 2
38 1 69 CYS N 1 77 TYR O 2.700 2.100 3.000 2.386 2.339 2.448 . 0 0 "[ . 1 . 2]" 2
39 1 76 TYR H 1 84 PHE O 1.900 . 2.200 1.935 1.792 2.201 0.001 10 0 "[ . 1 . 2]" 2
40 1 76 TYR N 1 84 PHE O 2.700 2.100 3.000 2.746 2.601 3.014 0.014 20 0 "[ . 1 . 2]" 2
41 1 69 CYS O 1 77 TYR H 1.900 . 2.200 1.866 1.756 2.135 . 0 0 "[ . 1 . 2]" 2
42 1 69 CYS O 1 77 TYR N 2.700 2.100 3.000 2.710 2.553 3.001 0.001 12 0 "[ . 1 . 2]" 2
43 1 76 TYR O 1 84 PHE H 1.900 . 2.200 2.179 2.086 2.224 0.024 18 0 "[ . 1 . 2]" 2
44 1 76 TYR O 1 84 PHE N 2.700 2.100 3.000 2.884 2.816 2.951 . 0 0 "[ . 1 . 2]" 2
45 1 86 THR O 1 90 LEU H 1.900 . 2.200 2.102 1.721 2.192 . 0 0 "[ . 1 . 2]" 2
46 1 86 THR O 1 90 LEU N 2.700 2.100 3.000 3.027 2.633 3.099 0.099 3 0 "[ . 1 . 2]" 2
47 1 87 ILE O 1 91 ILE H 1.900 . 2.200 1.949 1.700 2.054 . 0 0 "[ . 1 . 2]" 2
48 1 87 ILE O 1 91 ILE N 2.700 2.100 3.000 2.915 2.646 3.013 0.013 6 0 "[ . 1 . 2]" 2
49 1 88 PRO O 1 92 ASN H 1.900 . 2.200 2.011 1.710 2.130 . 0 0 "[ . 1 . 2]" 2
50 1 88 PRO O 1 92 ASN N 2.700 2.100 3.000 2.928 2.580 3.017 0.017 15 0 "[ . 1 . 2]" 2
51 1 89 GLU O 1 93 TYR H 1.900 . 2.200 1.961 1.650 2.169 . 0 0 "[ . 1 . 2]" 2
52 1 89 GLU O 1 93 TYR N 2.700 2.100 3.000 2.877 2.567 3.050 0.050 7 0 "[ . 1 . 2]" 2
stop_
save_
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