NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517014 |
2jmp   |
15055 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jmp
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 656
_Distance_constraint_stats_list.Viol_count 807
_Distance_constraint_stats_list.Viol_total 713.667
_Distance_constraint_stats_list.Viol_max 0.267
_Distance_constraint_stats_list.Viol_rms 0.0155
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0027
_Distance_constraint_stats_list.Viol_average_violations_only 0.0442
_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 9 GLU 0.426 0.046 8 0 "[ . 1 . 2]"
1 10 GLN 1.430 0.130 13 0 "[ . 1 . 2]"
1 11 PHE 2.089 0.130 13 0 "[ . 1 . 2]"
1 12 ASN 0.550 0.078 14 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 1.241 0.073 6 0 "[ . 1 . 2]"
1 15 LYS 0.259 0.102 19 0 "[ . 1 . 2]"
1 16 SER 0.073 0.062 10 0 "[ . 1 . 2]"
1 17 LEU 0.168 0.041 9 0 "[ . 1 . 2]"
1 18 LEU 0.229 0.102 19 0 "[ . 1 . 2]"
1 19 LYS 0.181 0.181 16 0 "[ . 1 . 2]"
1 20 LYS 0.606 0.091 18 0 "[ . 1 . 2]"
1 21 HIS 0.481 0.091 18 0 "[ . 1 . 2]"
1 22 TYR 0.789 0.058 8 0 "[ . 1 . 2]"
1 23 GLU 0.769 0.058 8 0 "[ . 1 . 2]"
1 24 LYS 0.092 0.092 17 0 "[ . 1 . 2]"
1 25 THR 0.083 0.019 6 0 "[ . 1 . 2]"
1 26 ILE 4.747 0.267 1 0 "[ . 1 . 2]"
1 27 GLY 4.373 0.267 1 0 "[ . 1 . 2]"
1 28 PHE 0.669 0.099 19 0 "[ . 1 . 2]"
1 29 HIS 0.891 0.060 19 0 "[ . 1 . 2]"
1 30 ASP 0.289 0.038 18 0 "[ . 1 . 2]"
1 31 LYS 1.198 0.060 18 0 "[ . 1 . 2]"
1 32 TYR 0.595 0.063 18 0 "[ . 1 . 2]"
1 33 ILE 0.985 0.077 5 0 "[ . 1 . 2]"
1 34 LYS 1.288 0.148 8 0 "[ . 1 . 2]"
1 35 ASP 0.723 0.148 8 0 "[ . 1 . 2]"
1 36 ILE 1.358 0.164 19 0 "[ . 1 . 2]"
1 37 ASN 1.390 0.164 19 0 "[ . 1 . 2]"
1 38 ARG 0.312 0.057 6 0 "[ . 1 . 2]"
1 39 PHE 0.883 0.083 20 0 "[ . 1 . 2]"
1 40 VAL 0.430 0.203 19 0 "[ . 1 . 2]"
1 41 PHE 0.806 0.203 19 0 "[ . 1 . 2]"
1 42 LYS 0.559 0.099 17 0 "[ . 1 . 2]"
1 43 ASN 0.093 0.082 11 0 "[ . 1 . 2]"
1 44 ASN 0.395 0.148 6 0 "[ . 1 . 2]"
1 45 VAL 1.786 0.208 17 0 "[ . 1 . 2]"
1 46 LEU 1.284 0.208 17 0 "[ . 1 . 2]"
1 47 LEU 0.064 0.026 5 0 "[ . 1 . 2]"
1 48 ILE 0.868 0.083 20 0 "[ . 1 . 2]"
1 49 LEU 0.094 0.040 19 0 "[ . 1 . 2]"
1 50 LEU 1.209 0.089 1 0 "[ . 1 . 2]"
1 51 GLU 0.227 0.037 19 0 "[ . 1 . 2]"
1 52 ASN 0.118 0.023 19 0 "[ . 1 . 2]"
1 53 GLU 0.324 0.195 16 0 "[ . 1 . 2]"
1 54 PHE 0.902 0.080 14 0 "[ . 1 . 2]"
1 55 ALA 0.849 0.080 14 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASN 0.135 0.055 18 0 "[ . 1 . 2]"
1 58 SER 1.113 0.196 6 0 "[ . 1 . 2]"
1 59 LEU 0.461 0.154 6 0 "[ . 1 . 2]"
1 60 ASN 0.011 0.011 20 0 "[ . 1 . 2]"
1 61 ASP 0.282 0.048 8 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.346 0.066 12 0 "[ . 1 . 2]"
1 64 GLU 0.473 0.067 17 0 "[ . 1 . 2]"
1 65 ILE 0.127 0.067 17 0 "[ . 1 . 2]"
1 66 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 HIS 0.055 0.055 17 0 "[ . 1 . 2]"
1 68 LEU 2.044 0.190 18 0 "[ . 1 . 2]"
1 69 ALA 0.129 0.062 7 0 "[ . 1 . 2]"
1 70 GLU 0.923 0.149 17 0 "[ . 1 . 2]"
1 71 SER 0.251 0.149 17 0 "[ . 1 . 2]"
1 72 LEU 0.357 0.072 5 0 "[ . 1 . 2]"
1 73 TYR 1.162 0.073 6 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.082 0.048 11 0 "[ . 1 . 2]"
1 76 ILE 0.543 0.095 10 0 "[ . 1 . 2]"
1 77 LYS 0.112 0.065 4 0 "[ . 1 . 2]"
1 78 SER 0.112 0.065 4 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.258 0.044 13 0 "[ . 1 . 2]"
1 81 PHE 0.938 0.089 1 0 "[ . 1 . 2]"
1 82 VAL 0.613 0.068 12 0 "[ . 1 . 2]"
1 83 ASN 1.741 0.211 15 0 "[ . 1 . 2]"
1 84 GLU 2.639 0.211 15 0 "[ . 1 . 2]"
1 85 GLN 2.082 0.168 7 0 "[ . 1 . 2]"
1 86 ASP 1.087 0.103 17 0 "[ . 1 . 2]"
1 87 PHE 0.152 0.059 10 0 "[ . 1 . 2]"
1 88 PHE 0.078 0.037 1 0 "[ . 1 . 2]"
1 89 PHE 0.224 0.042 5 0 "[ . 1 . 2]"
1 90 ASN 0.143 0.088 4 0 "[ . 1 . 2]"
1 91 LEU 0.966 0.140 9 0 "[ . 1 . 2]"
1 92 ALA 1.035 0.140 9 0 "[ . 1 . 2]"
1 93 LYS 0.490 0.107 15 0 "[ . 1 . 2]"
1 94 LEU 0.693 0.186 3 0 "[ . 1 . 2]"
1 95 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.036 0.019 14 0 "[ . 1 . 2]"
1 97 ASN 0.048 0.019 14 0 "[ . 1 . 2]"
1 98 SER 0.107 0.051 15 0 "[ . 1 . 2]"
1 99 ARG 0.095 0.051 15 0 "[ . 1 . 2]"
1 100 ASP 0.070 0.066 10 0 "[ . 1 . 2]"
1 101 THR 0.232 0.066 10 0 "[ . 1 . 2]"
1 102 LEU 0.986 0.223 4 0 "[ . 1 . 2]"
1 103 TYR 0.421 0.220 5 0 "[ . 1 . 2]"
1 104 GLN 0.260 0.220 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 PHE HA 1 14 PHE QD 3.300 . 5.300 2.932 2.272 3.367 . 0 0 "[ . 1 . 2]" 1
2 1 9 GLU H 1 9 GLU HA 2.900 . 2.900 2.892 2.831 2.920 0.020 8 0 "[ . 1 . 2]" 1
3 1 9 GLU H 1 9 GLU QB 3.300 . 4.000 2.527 2.109 2.874 . 0 0 "[ . 1 . 2]" 1
4 1 9 GLU H 1 9 GLU QG 3.300 . 4.000 2.211 1.754 3.174 0.046 8 0 "[ . 1 . 2]" 1
5 1 10 GLN H 1 10 GLN HA 2.900 . 2.900 2.723 2.681 2.802 . 0 0 "[ . 1 . 2]" 1
6 1 10 GLN H 1 10 GLN QB 2.900 . 3.600 2.221 2.092 2.427 . 0 0 "[ . 1 . 2]" 1
7 1 10 GLN H 1 10 GLN HG2 5.000 . 5.000 4.430 3.375 4.651 . 0 0 "[ . 1 . 2]" 1
8 1 10 GLN H 1 10 GLN HG3 5.000 . 5.000 4.306 3.286 4.654 . 0 0 "[ . 1 . 2]" 1
9 1 11 PHE H 1 11 PHE QB 3.300 . 5.300 2.463 2.061 2.923 . 0 0 "[ . 1 . 2]" 1
10 1 11 PHE HA 1 11 PHE QD 3.300 . 5.300 2.920 2.313 3.692 . 0 0 "[ . 1 . 2]" 1
11 1 12 ASN H 1 12 ASN HB2 3.300 . 3.300 2.306 2.063 2.425 . 0 0 "[ . 1 . 2]" 1
12 1 12 ASN H 1 12 ASN HB3 3.300 . 3.300 2.819 2.656 3.305 0.005 20 0 "[ . 1 . 2]" 1
13 1 13 ALA H 1 13 ALA MB 2.900 . 3.600 2.234 2.174 2.283 . 0 0 "[ . 1 . 2]" 1
14 1 14 PHE H 1 14 PHE QB 3.500 . 4.200 2.106 2.058 2.207 . 0 0 "[ . 1 . 2]" 1
15 1 15 LYS H 1 15 LYS HB2 3.300 . 3.300 2.360 2.210 2.492 . 0 0 "[ . 1 . 2]" 1
16 1 15 LYS H 1 15 LYS HB3 3.300 . 3.300 2.711 2.534 2.881 . 0 0 "[ . 1 . 2]" 1
17 1 15 LYS H 1 15 LYS HG2 5.000 . 5.000 4.526 4.443 4.589 . 0 0 "[ . 1 . 2]" 1
18 1 15 LYS H 1 15 LYS HG3 5.000 . 5.000 4.301 4.130 4.408 . 0 0 "[ . 1 . 2]" 1
19 1 15 LYS HA 1 15 LYS HG2 3.300 . 3.300 2.959 2.627 3.149 . 0 0 "[ . 1 . 2]" 1
20 1 15 LYS HA 1 15 LYS HG3 3.300 . 3.300 2.311 2.138 2.602 . 0 0 "[ . 1 . 2]" 1
21 1 15 LYS QE 1 15 LYS QG 3.300 . 4.700 2.502 2.202 2.909 . 0 0 "[ . 1 . 2]" 1
22 1 16 SER H 1 16 SER QB 3.300 . 4.000 2.414 2.243 2.682 . 0 0 "[ . 1 . 2]" 1
23 1 17 LEU H 1 17 LEU QB 3.300 . 4.000 2.141 2.032 2.207 . 0 0 "[ . 1 . 2]" 1
24 1 17 LEU H 1 17 LEU HG 5.000 . 5.000 4.136 3.434 4.447 . 0 0 "[ . 1 . 2]" 1
25 1 17 LEU H 1 17 LEU MD1 5.000 . 5.400 4.296 4.050 4.429 . 0 0 "[ . 1 . 2]" 1
26 1 17 LEU H 1 17 LEU MD2 5.000 . 5.400 3.979 3.131 4.166 . 0 0 "[ . 1 . 2]" 1
27 1 18 LEU H 1 18 LEU HG 5.000 . 5.000 2.752 2.295 3.114 . 0 0 "[ . 1 . 2]" 1
28 1 18 LEU H 1 18 LEU MD1 5.000 . 5.400 3.298 3.191 3.491 . 0 0 "[ . 1 . 2]" 1
29 1 18 LEU H 1 18 LEU MD2 5.000 . 5.400 4.019 3.638 4.186 . 0 0 "[ . 1 . 2]" 1
30 1 18 LEU HA 1 18 LEU MD2 3.300 . 3.700 2.281 2.164 2.393 . 0 0 "[ . 1 . 2]" 1
31 1 19 LYS H 1 19 LYS HG2 5.000 . 5.000 4.144 2.940 4.595 . 0 0 "[ . 1 . 2]" 1
32 1 19 LYS H 1 19 LYS HG3 5.000 . 5.000 3.643 1.969 4.382 . 0 0 "[ . 1 . 2]" 1
33 1 19 LYS HA 1 19 LYS HG2 3.300 . 3.300 2.678 2.227 3.243 . 0 0 "[ . 1 . 2]" 1
34 1 19 LYS HA 1 19 LYS HG3 3.300 . 3.300 2.601 2.305 3.481 0.181 16 0 "[ . 1 . 2]" 1
35 1 19 LYS QB 1 19 LYS QD 3.300 . 4.700 2.189 2.113 2.333 . 0 0 "[ . 1 . 2]" 1
36 1 19 LYS QB 1 19 LYS QE 3.300 . 4.700 3.044 2.032 3.803 . 0 0 "[ . 1 . 2]" 1
37 1 19 LYS QE 1 19 LYS QG 3.300 . 4.700 2.284 2.127 2.489 . 0 0 "[ . 1 . 2]" 1
38 1 20 LYS H 1 20 LYS QB 3.300 . 4.000 2.168 2.043 2.452 . 0 0 "[ . 1 . 2]" 1
39 1 20 LYS HA 1 20 LYS QG 2.500 . 3.200 2.331 2.073 2.590 . 0 0 "[ . 1 . 2]" 1
40 1 20 LYS HA 1 20 LYS QE 3.300 . 4.000 3.300 2.036 3.679 . 0 0 "[ . 1 . 2]" 1
41 1 21 HIS H 1 21 HIS QB 2.900 . 3.600 2.205 2.057 2.349 . 0 0 "[ . 1 . 2]" 1
42 1 22 TYR H 1 22 TYR QB 3.300 . 4.000 2.154 2.071 2.203 . 0 0 "[ . 1 . 2]" 1
43 1 22 TYR H 1 22 TYR QD 3.300 . 5.300 2.566 2.237 3.323 . 0 0 "[ . 1 . 2]" 1
44 1 22 TYR HA 1 22 TYR QD 3.300 . 5.300 2.558 2.313 2.858 . 0 0 "[ . 1 . 2]" 1
45 1 23 GLU H 1 23 GLU QB 3.300 . 4.000 2.285 2.048 2.654 . 0 0 "[ . 1 . 2]" 1
46 1 24 LYS H 1 24 LYS QB 3.300 . 4.000 2.401 2.109 2.722 . 0 0 "[ . 1 . 2]" 1
47 1 24 LYS H 1 24 LYS QG 3.300 . 4.000 2.627 1.838 3.779 . 0 0 "[ . 1 . 2]" 1
48 1 24 LYS HA 1 24 LYS HG2 3.300 . 3.300 2.548 2.283 3.392 0.092 17 0 "[ . 1 . 2]" 1
49 1 24 LYS HA 1 24 LYS HG3 3.300 . 3.300 2.887 2.504 3.298 . 0 0 "[ . 1 . 2]" 1
50 1 25 THR HA 1 25 THR MG 3.300 . 3.700 2.228 2.143 2.303 . 0 0 "[ . 1 . 2]" 1
51 1 26 ILE H 1 26 ILE HB 3.300 . 3.300 2.710 2.346 3.382 0.082 20 0 "[ . 1 . 2]" 1
52 1 26 ILE H 1 26 ILE MG 3.300 . 3.700 2.045 1.785 3.088 0.015 4 0 "[ . 1 . 2]" 1
53 1 26 ILE H 1 26 ILE HG12 5.000 . 5.000 4.196 1.785 4.653 0.015 19 0 "[ . 1 . 2]" 1
54 1 26 ILE H 1 26 ILE HG13 5.000 . 5.000 4.249 1.864 4.526 . 0 0 "[ . 1 . 2]" 1
55 1 28 PHE H 1 28 PHE HA 2.900 . 2.900 2.757 2.699 2.884 . 0 0 "[ . 1 . 2]" 1
56 1 28 PHE H 1 28 PHE HB2 3.300 . 3.300 2.532 2.356 2.747 . 0 0 "[ . 1 . 2]" 1
57 1 28 PHE H 1 28 PHE HB3 3.300 . 3.300 2.593 2.353 2.816 . 0 0 "[ . 1 . 2]" 1
58 1 28 PHE H 1 28 PHE QD 5.000 . 7.000 4.153 4.065 4.203 . 0 0 "[ . 1 . 2]" 1
59 1 29 HIS H 1 29 HIS QB 3.300 . 4.000 2.241 2.194 2.269 . 0 0 "[ . 1 . 2]" 1
60 1 30 ASP H 1 30 ASP QB 2.500 . 3.200 2.211 2.076 2.370 . 0 0 "[ . 1 . 2]" 1
61 1 31 LYS H 1 31 LYS HA 2.900 . 2.900 2.933 2.902 2.947 0.047 2 0 "[ . 1 . 2]" 1
62 1 31 LYS H 1 31 LYS HB2 3.300 . 3.300 2.321 2.160 2.511 . 0 0 "[ . 1 . 2]" 1
63 1 31 LYS H 1 31 LYS HB3 3.300 . 3.300 3.018 2.701 3.330 0.030 13 0 "[ . 1 . 2]" 1
64 1 31 LYS HA 1 31 LYS QD 3.300 . 4.000 2.419 2.207 3.733 . 0 0 "[ . 1 . 2]" 1
65 1 31 LYS QB 1 31 LYS QD 3.300 . 4.700 2.254 2.115 2.411 . 0 0 "[ . 1 . 2]" 1
66 1 31 LYS QE 1 31 LYS HG2 3.300 . 4.000 2.735 2.164 3.358 . 0 0 "[ . 1 . 2]" 1
67 1 31 LYS QE 1 31 LYS HG3 3.300 . 4.000 2.599 2.187 3.257 . 0 0 "[ . 1 . 2]" 1
68 1 32 TYR H 1 32 TYR QD 3.300 . 5.300 2.790 2.256 3.277 . 0 0 "[ . 1 . 2]" 1
69 1 32 TYR HA 1 32 TYR QD 3.300 . 5.300 2.640 2.362 2.995 . 0 0 "[ . 1 . 2]" 1
70 1 33 ILE H 1 33 ILE HB 3.300 . 3.300 2.713 2.373 3.003 . 0 0 "[ . 1 . 2]" 1
71 1 33 ILE H 1 33 ILE QG 3.300 . 3.700 2.118 1.726 3.267 0.074 3 0 "[ . 1 . 2]" 1
72 1 33 ILE HA 1 33 ILE MG 3.300 . 3.700 2.325 2.209 2.557 . 0 0 "[ . 1 . 2]" 1
73 1 34 LYS H 1 34 LYS HA 2.900 . 2.900 2.560 2.291 2.907 0.007 13 0 "[ . 1 . 2]" 1
74 1 34 LYS H 1 34 LYS QB 3.300 . 4.000 2.545 2.111 3.448 . 0 0 "[ . 1 . 2]" 1
75 1 34 LYS QB 1 34 LYS QE 3.300 . 4.700 3.186 2.128 3.701 . 0 0 "[ . 1 . 2]" 1
76 1 34 LYS QE 1 34 LYS QG 3.300 . 4.700 2.288 2.108 2.620 . 0 0 "[ . 1 . 2]" 1
77 1 35 ASP H 1 35 ASP HB3 3.300 . 3.300 2.955 2.467 3.338 0.038 18 0 "[ . 1 . 2]" 1
78 1 36 ILE H 1 36 ILE HB 3.300 . 3.300 2.882 2.217 3.410 0.110 14 0 "[ . 1 . 2]" 1
79 1 36 ILE HA 1 36 ILE MG 3.300 . 3.700 2.410 2.136 3.158 . 0 0 "[ . 1 . 2]" 1
80 1 36 ILE H 1 36 ILE MD 5.000 . 5.400 3.519 2.401 4.286 . 0 0 "[ . 1 . 2]" 1
81 1 36 ILE HB 1 36 ILE MD 3.300 . 3.700 2.531 2.189 3.205 . 0 0 "[ . 1 . 2]" 1
82 1 38 ARG HA 1 38 ARG QG 3.300 . 4.000 2.628 2.236 3.453 . 0 0 "[ . 1 . 2]" 1
83 1 38 ARG HA 1 38 ARG QD 3.300 . 4.000 2.316 2.107 3.158 . 0 0 "[ . 1 . 2]" 1
84 1 39 PHE H 1 39 PHE QD 3.300 . 5.300 2.719 2.069 3.286 . 0 0 "[ . 1 . 2]" 1
85 1 41 PHE H 1 41 PHE QB 3.300 . 4.000 2.773 2.366 3.239 . 0 0 "[ . 1 . 2]" 1
86 1 41 PHE HA 1 41 PHE QD 3.300 . 5.300 3.040 2.146 3.672 . 0 0 "[ . 1 . 2]" 1
87 1 42 LYS H 1 42 LYS QB 3.300 . 4.000 2.696 2.484 3.371 . 0 0 "[ . 1 . 2]" 1
88 1 42 LYS HA 1 42 LYS QG 3.300 . 4.000 2.502 2.152 3.320 . 0 0 "[ . 1 . 2]" 1
89 1 42 LYS QE 1 42 LYS QG 3.300 . 4.000 2.402 2.111 2.902 . 0 0 "[ . 1 . 2]" 1
90 1 43 ASN HA 1 43 ASN QB 2.500 . 3.200 2.327 2.175 2.520 . 0 0 "[ . 1 . 2]" 1
91 1 44 ASN H 1 44 ASN HA 2.900 . 2.900 2.558 2.292 2.927 0.027 8 0 "[ . 1 . 2]" 1
92 1 45 VAL H 1 45 VAL HB 3.300 . 3.300 2.815 2.548 2.957 . 0 0 "[ . 1 . 2]" 1
93 1 45 VAL H 1 45 VAL MG2 3.300 . 3.700 2.836 2.192 3.042 . 0 0 "[ . 1 . 2]" 1
94 1 45 VAL HA 1 45 VAL MG1 3.300 . 3.700 2.269 2.160 2.378 . 0 0 "[ . 1 . 2]" 1
95 1 45 VAL HA 1 45 VAL MG2 3.300 . 3.700 2.367 2.233 2.621 . 0 0 "[ . 1 . 2]" 1
96 1 46 LEU H 1 46 LEU QB 3.300 . 4.000 2.451 2.370 2.608 . 0 0 "[ . 1 . 2]" 1
97 1 46 LEU H 1 46 LEU MD1 5.000 . 5.400 2.853 2.269 3.284 . 0 0 "[ . 1 . 2]" 1
98 1 46 LEU H 1 46 LEU MD2 5.000 . 5.400 4.461 4.315 4.529 . 0 0 "[ . 1 . 2]" 1
99 1 46 LEU HA 1 46 LEU MD1 3.300 . 3.700 2.777 2.424 3.154 . 0 0 "[ . 1 . 2]" 1
100 1 46 LEU HB2 1 46 LEU MD2 3.300 . 3.700 2.524 2.439 2.637 . 0 0 "[ . 1 . 2]" 1
101 1 46 LEU HB3 1 46 LEU MD2 3.300 . 3.700 2.253 2.214 2.302 . 0 0 "[ . 1 . 2]" 1
102 1 47 LEU H 1 47 LEU QB 3.300 . 4.000 2.422 2.324 2.528 . 0 0 "[ . 1 . 2]" 1
103 1 48 ILE H 1 48 ILE HB 2.900 . 2.900 2.770 2.620 2.867 . 0 0 "[ . 1 . 2]" 1
104 1 48 ILE H 1 48 ILE HG12 5.000 . 5.000 4.203 3.779 4.650 . 0 0 "[ . 1 . 2]" 1
105 1 48 ILE H 1 48 ILE HG13 5.000 . 5.000 3.185 2.779 3.894 . 0 0 "[ . 1 . 2]" 1
106 1 48 ILE H 1 48 ILE MD 5.000 . 5.400 3.908 2.492 4.372 . 0 0 "[ . 1 . 2]" 1
107 1 48 ILE HA 1 48 ILE MG 3.300 . 3.700 2.364 2.251 2.554 . 0 0 "[ . 1 . 2]" 1
108 1 48 ILE HA 1 48 ILE QG 3.300 . 3.700 2.366 2.238 2.480 . 0 0 "[ . 1 . 2]" 1
109 1 48 ILE HB 1 48 ILE MD 3.300 . 3.700 2.303 2.185 2.398 . 0 0 "[ . 1 . 2]" 1
110 1 49 LEU HA 1 49 LEU MD2 3.300 . 3.700 2.264 2.158 2.853 . 0 0 "[ . 1 . 2]" 1
111 1 50 LEU H 1 50 LEU QB 3.300 . 4.000 2.807 2.335 2.975 . 0 0 "[ . 1 . 2]" 1
112 1 50 LEU HA 1 50 LEU MD1 3.300 . 3.700 2.185 2.141 2.242 . 0 0 "[ . 1 . 2]" 1
113 1 50 LEU HA 1 50 LEU HG 3.300 . 3.300 2.756 2.567 3.005 . 0 0 "[ . 1 . 2]" 1
114 1 50 LEU HB2 1 50 LEU MD2 3.300 . 3.700 2.552 2.431 2.641 . 0 0 "[ . 1 . 2]" 1
115 1 50 LEU HB3 1 50 LEU MD2 3.300 . 3.700 2.207 2.153 2.311 . 0 0 "[ . 1 . 2]" 1
116 1 51 GLU H 1 51 GLU QG 3.300 . 4.000 2.075 1.763 2.827 0.037 19 0 "[ . 1 . 2]" 1
117 1 51 GLU HA 1 51 GLU QG 3.300 . 4.000 2.863 2.283 3.426 . 0 0 "[ . 1 . 2]" 1
118 1 52 ASN H 1 52 ASN HA 2.900 . 2.900 2.709 2.638 2.752 . 0 0 "[ . 1 . 2]" 1
119 1 53 GLU H 1 53 GLU HB2 3.300 . 3.300 2.713 2.510 3.495 0.195 16 0 "[ . 1 . 2]" 1
120 1 53 GLU H 1 53 GLU HB3 3.300 . 3.300 2.427 2.116 2.659 . 0 0 "[ . 1 . 2]" 1
121 1 53 GLU HA 1 53 GLU QG 3.300 . 4.000 2.623 2.347 3.279 . 0 0 "[ . 1 . 2]" 1
122 1 54 PHE H 1 54 PHE QD 3.300 . 5.300 2.819 1.857 4.181 . 0 0 "[ . 1 . 2]" 1
123 1 56 ARG H 1 56 ARG QB 3.300 . 4.000 2.473 2.179 2.939 . 0 0 "[ . 1 . 2]" 1
124 1 56 ARG HA 1 56 ARG QG 3.300 . 4.000 2.422 2.152 2.906 . 0 0 "[ . 1 . 2]" 1
125 1 56 ARG QB 1 56 ARG QD 3.300 . 4.700 2.192 2.074 2.686 . 0 0 "[ . 1 . 2]" 1
126 1 57 ASN H 1 57 ASN HA 2.900 . 2.900 2.761 2.705 2.846 . 0 0 "[ . 1 . 2]" 1
127 1 57 ASN H 1 57 ASN QB 2.900 . 3.600 2.213 2.130 2.264 . 0 0 "[ . 1 . 2]" 1
128 1 58 SER H 1 58 SER HB2 3.300 . 3.300 2.208 2.040 3.496 0.196 6 0 "[ . 1 . 2]" 1
129 1 58 SER H 1 58 SER HB3 3.300 . 3.300 3.097 2.321 3.322 0.022 20 0 "[ . 1 . 2]" 1
130 1 59 LEU H 1 59 LEU QB 3.300 . 4.000 2.316 2.215 2.450 . 0 0 "[ . 1 . 2]" 1
131 1 59 LEU H 1 59 LEU HG 3.300 . 3.300 2.493 2.081 2.799 . 0 0 "[ . 1 . 2]" 1
132 1 59 LEU H 1 59 LEU MD1 5.000 . 5.400 3.508 3.288 3.665 . 0 0 "[ . 1 . 2]" 1
133 1 59 LEU HA 1 59 LEU HG 3.300 . 3.300 2.630 2.337 2.760 . 0 0 "[ . 1 . 2]" 1
134 1 59 LEU HB2 1 59 LEU MD1 3.300 . 3.700 2.286 2.141 2.388 . 0 0 "[ . 1 . 2]" 1
135 1 59 LEU HB3 1 59 LEU MD1 3.300 . 3.700 2.464 2.350 2.639 . 0 0 "[ . 1 . 2]" 1
136 1 60 ASN H 1 60 ASN QB 2.900 . 2.900 2.314 2.211 2.406 . 0 0 "[ . 1 . 2]" 1
137 1 64 GLU H 1 64 GLU HG2 5.000 . 5.000 2.894 1.836 4.445 . 0 0 "[ . 1 . 2]" 1
138 1 64 GLU H 1 64 GLU HG3 5.000 . 5.000 3.019 1.843 4.406 . 0 0 "[ . 1 . 2]" 1
139 1 65 ILE H 1 65 ILE HA 2.900 . 2.900 2.815 2.745 2.864 . 0 0 "[ . 1 . 2]" 1
140 1 65 ILE H 1 65 ILE HB 2.900 . 2.900 2.583 2.377 2.770 . 0 0 "[ . 1 . 2]" 1
141 1 65 ILE H 1 65 ILE MD 5.000 . 5.400 2.970 2.348 3.788 . 0 0 "[ . 1 . 2]" 1
142 1 66 ILE H 1 66 ILE HB 3.300 . 3.300 2.858 2.710 2.955 . 0 0 "[ . 1 . 2]" 1
143 1 66 ILE HB 1 66 ILE MD 3.300 . 3.700 2.240 2.182 2.299 . 0 0 "[ . 1 . 2]" 1
144 1 66 ILE MD 1 66 ILE MG 3.300 . 4.100 2.017 1.906 2.163 . 0 0 "[ . 1 . 2]" 1
145 1 67 HIS H 1 67 HIS QB 3.300 . 4.000 2.200 2.093 2.480 . 0 0 "[ . 1 . 2]" 1
146 1 68 LEU H 1 68 LEU HG 3.300 . 3.300 2.650 2.291 2.838 . 0 0 "[ . 1 . 2]" 1
147 1 68 LEU H 1 68 LEU MD1 5.000 . 5.400 1.702 1.610 1.799 0.190 18 0 "[ . 1 . 2]" 1
148 1 68 LEU H 1 68 LEU MD2 5.000 . 5.400 3.883 3.633 4.116 . 0 0 "[ . 1 . 2]" 1
149 1 70 GLU H 1 70 GLU QB 3.300 . 4.000 2.615 2.493 2.786 . 0 0 "[ . 1 . 2]" 1
150 1 70 GLU H 1 70 GLU HG2 2.900 . 2.900 2.094 1.777 2.931 0.031 14 0 "[ . 1 . 2]" 1
151 1 70 GLU H 1 70 GLU HG3 2.900 . 2.900 2.751 1.885 2.986 0.086 18 0 "[ . 1 . 2]" 1
152 1 70 GLU HA 1 70 GLU QG 3.300 . 4.000 3.258 2.471 3.346 . 0 0 "[ . 1 . 2]" 1
153 1 71 SER H 1 71 SER QB 2.900 . 3.600 2.586 2.260 2.982 . 0 0 "[ . 1 . 2]" 1
154 1 72 LEU H 1 72 LEU QB 3.300 . 4.000 2.363 2.054 3.239 . 0 0 "[ . 1 . 2]" 1
155 1 72 LEU H 1 72 LEU MD2 5.000 . 5.400 3.720 2.210 4.471 . 0 0 "[ . 1 . 2]" 1
156 1 73 TYR H 1 73 TYR QB 3.300 . 4.000 2.738 2.428 3.459 . 0 0 "[ . 1 . 2]" 1
157 1 73 TYR HB3 1 73 TYR QD 3.300 . 5.300 2.385 2.318 2.616 . 0 0 "[ . 1 . 2]" 1
158 1 73 TYR HB2 1 73 TYR QD 3.300 . 5.300 2.469 2.302 2.575 . 0 0 "[ . 1 . 2]" 1
159 1 74 GLU H 1 74 GLU QB 2.900 . 3.600 2.460 2.053 2.745 . 0 0 "[ . 1 . 2]" 1
160 1 74 GLU H 1 74 GLU QG 3.300 . 4.000 2.368 1.842 3.715 . 0 0 "[ . 1 . 2]" 1
161 1 76 ILE H 1 76 ILE HG12 3.300 . 3.300 2.041 1.799 2.420 0.001 5 0 "[ . 1 . 2]" 1
162 1 76 ILE H 1 76 ILE HG13 3.300 . 3.300 3.289 3.176 3.395 0.095 10 0 "[ . 1 . 2]" 1
163 1 76 ILE HA 1 76 ILE MG 3.300 . 3.700 2.345 2.243 2.486 . 0 0 "[ . 1 . 2]" 1
164 1 76 ILE HA 1 76 ILE QG 3.300 . 4.000 2.678 2.452 3.074 . 0 0 "[ . 1 . 2]" 1
165 1 76 ILE HA 1 76 ILE MD 3.300 . 3.700 2.207 2.089 2.287 . 0 0 "[ . 1 . 2]" 1
166 1 76 ILE MD 1 76 ILE MG 3.300 . 4.100 1.822 1.773 1.895 0.027 5 0 "[ . 1 . 2]" 1
167 1 77 LYS HA 1 77 LYS QG 3.300 . 4.000 2.412 2.133 3.162 . 0 0 "[ . 1 . 2]" 1
168 1 77 LYS HA 1 77 LYS QD 3.300 . 4.000 2.566 2.178 3.638 . 0 0 "[ . 1 . 2]" 1
169 1 79 VAL H 1 79 VAL MG2 3.300 . 3.700 2.860 2.727 2.967 . 0 0 "[ . 1 . 2]" 1
170 1 79 VAL HA 1 79 VAL MG1 3.300 . 3.700 2.276 2.235 2.338 . 0 0 "[ . 1 . 2]" 1
171 1 80 ASN H 1 80 ASN HB2 3.300 . 3.300 3.272 3.047 3.344 0.044 13 0 "[ . 1 . 2]" 1
172 1 80 ASN H 1 80 ASN HB3 3.300 . 3.300 3.117 2.769 3.300 0.000 14 0 "[ . 1 . 2]" 1
173 1 82 VAL H 1 82 VAL MG2 2.900 . 3.300 2.229 2.127 2.281 . 0 0 "[ . 1 . 2]" 1
174 1 82 VAL HA 1 82 VAL MG1 3.300 . 3.700 2.329 2.149 2.416 . 0 0 "[ . 1 . 2]" 1
175 1 84 GLU HA 1 84 GLU QG 3.300 . 4.000 2.620 2.249 3.293 . 0 0 "[ . 1 . 2]" 1
176 1 85 GLN H 1 85 GLN QB 3.300 . 4.000 2.396 2.144 2.765 . 0 0 "[ . 1 . 2]" 1
177 1 85 GLN HA 1 85 GLN QG 2.500 . 3.200 2.367 2.239 2.565 . 0 0 "[ . 1 . 2]" 1
178 1 86 ASP H 1 86 ASP QB 3.500 . 4.200 2.318 2.241 2.408 . 0 0 "[ . 1 . 2]" 1
179 1 87 PHE H 1 87 PHE QB 2.900 . 3.600 2.192 2.081 2.249 . 0 0 "[ . 1 . 2]" 1
180 1 88 PHE HA 1 88 PHE QD 3.300 . 5.300 2.630 2.322 3.020 . 0 0 "[ . 1 . 2]" 1
181 1 89 PHE H 1 89 PHE HA 2.900 . 2.900 2.745 2.632 2.887 . 0 0 "[ . 1 . 2]" 1
182 1 89 PHE H 1 89 PHE QB 3.300 . 4.000 2.240 2.112 2.290 . 0 0 "[ . 1 . 2]" 1
183 1 90 ASN H 1 90 ASN HB2 3.300 . 3.300 2.449 2.089 2.734 . 0 0 "[ . 1 . 2]" 1
184 1 90 ASN H 1 90 ASN HB3 3.300 . 3.300 2.734 2.391 3.303 0.003 2 0 "[ . 1 . 2]" 1
185 1 92 ALA H 1 92 ALA HA 2.900 . 2.900 2.878 2.732 2.948 0.048 18 0 "[ . 1 . 2]" 1
186 1 93 LYS H 1 93 LYS HA 2.900 . 2.900 2.810 2.614 2.957 0.057 18 0 "[ . 1 . 2]" 1
187 1 93 LYS H 1 93 LYS QB 3.300 . 4.000 2.394 2.199 3.029 . 0 0 "[ . 1 . 2]" 1
188 1 93 LYS HA 1 93 LYS QG 3.300 . 4.000 2.621 2.247 3.368 . 0 0 "[ . 1 . 2]" 1
189 1 94 LEU H 1 94 LEU MD1 3.300 . 3.700 2.451 1.614 3.135 0.186 3 0 "[ . 1 . 2]" 1
190 1 95 GLU H 1 95 GLU QB 3.300 . 4.000 2.659 2.205 3.401 . 0 0 "[ . 1 . 2]" 1
191 1 98 SER H 1 98 SER QB 3.300 . 4.000 2.908 2.477 3.288 . 0 0 "[ . 1 . 2]" 1
192 1 99 ARG H 1 99 ARG QB 3.300 . 4.000 2.678 2.194 3.362 . 0 0 "[ . 1 . 2]" 1
193 1 99 ARG QB 1 99 ARG QD 3.300 . 4.700 2.352 2.104 2.915 . 0 0 "[ . 1 . 2]" 1
194 1 100 ASP H 1 100 ASP QB 3.300 . 4.000 2.808 2.230 3.429 . 0 0 "[ . 1 . 2]" 1
195 1 101 THR H 1 101 THR HB 2.900 . 2.900 2.758 2.484 2.935 0.035 4 0 "[ . 1 . 2]" 1
196 1 101 THR H 1 101 THR MG 3.300 . 3.700 1.917 1.755 2.682 0.045 19 0 "[ . 1 . 2]" 1
197 1 102 LEU H 1 102 LEU QB 3.300 . 4.000 2.641 2.051 3.360 . 0 0 "[ . 1 . 2]" 1
198 1 102 LEU H 1 102 LEU HG 5.000 . 5.000 3.335 1.753 4.246 0.047 19 0 "[ . 1 . 2]" 1
199 1 102 LEU H 1 102 LEU MD1 3.300 . 3.700 2.210 1.626 3.332 0.174 14 0 "[ . 1 . 2]" 1
200 1 102 LEU H 1 102 LEU MD2 5.000 . 5.400 3.486 1.577 4.436 0.223 4 0 "[ . 1 . 2]" 1
201 1 103 TYR H 1 103 TYR HB2 3.300 . 3.300 2.790 2.173 3.324 0.024 12 0 "[ . 1 . 2]" 1
202 1 103 TYR H 1 103 TYR HB3 3.300 . 3.300 2.984 2.501 3.353 0.053 4 0 "[ . 1 . 2]" 1
203 1 9 GLU H 1 10 GLN H 2.900 . 2.900 2.430 2.242 2.747 . 0 0 "[ . 1 . 2]" 1
204 1 9 GLU H 1 10 GLN HA 5.000 . 5.000 4.903 4.721 5.022 0.022 5 0 "[ . 1 . 2]" 1
205 1 9 GLU QB 1 10 GLN H 3.300 . 4.000 3.268 2.461 3.706 . 0 0 "[ . 1 . 2]" 1
206 1 9 GLU HG2 1 10 GLN H 5.000 . 5.000 3.941 1.930 5.016 0.016 6 0 "[ . 1 . 2]" 1
207 1 9 GLU HG3 1 10 GLN H 5.000 . 5.000 3.915 2.537 5.042 0.042 10 0 "[ . 1 . 2]" 1
208 1 10 GLN H 1 11 PHE H 3.300 . 3.300 3.307 2.673 3.430 0.130 13 0 "[ . 1 . 2]" 1
209 1 10 GLN QB 1 11 PHE H 3.300 . 4.000 1.895 1.750 3.258 0.050 3 0 "[ . 1 . 2]" 1
210 1 11 PHE H 1 12 ASN H 2.900 . 2.900 2.898 2.644 2.978 0.078 14 0 "[ . 1 . 2]" 1
211 1 11 PHE QD 1 12 ASN H 5.000 . 7.000 3.406 1.983 4.282 . 0 0 "[ . 1 . 2]" 1
212 1 12 ASN H 1 13 ALA H 2.900 . 2.900 2.638 2.549 2.729 . 0 0 "[ . 1 . 2]" 1
213 1 12 ASN H 1 13 ALA MB 5.000 . 5.400 4.320 4.199 4.417 . 0 0 "[ . 1 . 2]" 1
214 1 12 ASN QB 1 13 ALA H 3.300 . 4.000 2.854 2.628 3.017 . 0 0 "[ . 1 . 2]" 1
215 1 14 PHE H 1 15 LYS H 2.900 . 2.900 2.707 2.498 2.789 . 0 0 "[ . 1 . 2]" 1
216 1 14 PHE QD 1 15 LYS H 3.300 . 5.300 2.788 2.014 3.809 . 0 0 "[ . 1 . 2]" 1
217 1 15 LYS H 1 16 SER H 2.900 . 2.900 2.787 2.617 2.962 0.062 10 0 "[ . 1 . 2]" 1
218 1 15 LYS HB2 1 16 SER H 5.000 . 5.000 3.655 3.417 3.813 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS HB3 1 16 SER H 5.000 . 5.000 2.383 2.144 2.568 . 0 0 "[ . 1 . 2]" 1
220 1 16 SER H 1 17 LEU H 2.900 . 2.900 2.658 2.584 2.846 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU H 1 19 LYS H 3.300 . 3.300 2.707 2.487 2.956 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS H 1 20 LYS H 3.300 . 3.300 3.103 3.012 3.197 . 0 0 "[ . 1 . 2]" 1
223 1 20 LYS H 1 21 HIS H 2.900 . 2.900 2.769 2.702 2.907 0.007 18 0 "[ . 1 . 2]" 1
224 1 20 LYS HB2 1 21 HIS H 3.300 . 3.300 2.911 2.408 3.357 0.057 5 0 "[ . 1 . 2]" 1
225 1 20 LYS HB3 1 21 HIS H 3.300 . 3.300 3.086 2.551 3.391 0.091 18 0 "[ . 1 . 2]" 1
226 1 21 HIS H 1 22 TYR H 3.300 . 3.300 2.822 2.461 2.933 . 0 0 "[ . 1 . 2]" 1
227 1 22 TYR H 1 23 GLU H 2.900 . 2.900 2.938 2.905 2.958 0.058 8 0 "[ . 1 . 2]" 1
228 1 22 TYR HB2 1 23 GLU H 5.000 . 5.000 4.115 4.024 4.212 . 0 0 "[ . 1 . 2]" 1
229 1 22 TYR HB3 1 23 GLU H 5.000 . 5.000 4.319 4.183 4.372 . 0 0 "[ . 1 . 2]" 1
230 1 23 GLU H 1 24 LYS H 3.300 . 3.300 2.845 2.457 3.287 . 0 0 "[ . 1 . 2]" 1
231 1 25 THR H 1 26 ILE H 3.300 . 3.300 3.051 2.560 3.319 0.019 6 0 "[ . 1 . 2]" 1
232 1 26 ILE H 1 27 GLY H 5.000 . 5.000 2.981 2.583 3.415 . 0 0 "[ . 1 . 2]" 1
233 1 26 ILE HB 1 27 GLY H 5.000 . 5.000 3.509 1.977 4.280 . 0 0 "[ . 1 . 2]" 1
234 1 26 ILE MG 1 27 GLY H 5.000 . 5.400 1.856 1.533 3.724 0.267 1 0 "[ . 1 . 2]" 1
235 1 26 ILE MG 1 27 GLY QA 5.000 . 6.100 3.118 2.841 4.580 . 0 0 "[ . 1 . 2]" 1
236 1 27 GLY H 1 28 PHE H 3.300 . 3.300 3.240 2.586 3.399 0.099 19 0 "[ . 1 . 2]" 1
237 1 28 PHE H 1 29 HIS H 3.300 . 3.300 2.868 2.517 3.018 . 0 0 "[ . 1 . 2]" 1
238 1 29 HIS H 1 30 ASP H 3.300 . 3.300 2.771 2.540 2.957 . 0 0 "[ . 1 . 2]" 1
239 1 29 HIS QB 1 30 ASP H 3.300 . 4.000 2.474 2.038 3.112 . 0 0 "[ . 1 . 2]" 1
240 1 30 ASP H 1 31 LYS H 3.300 . 3.300 2.568 2.170 2.870 . 0 0 "[ . 1 . 2]" 1
241 1 31 LYS H 1 32 TYR H 2.900 . 2.900 2.691 2.390 2.942 0.042 18 0 "[ . 1 . 2]" 1
242 1 31 LYS HB2 1 32 TYR H 3.300 . 3.300 3.178 2.864 3.335 0.035 18 0 "[ . 1 . 2]" 1
243 1 31 LYS HB2 1 32 TYR QE 5.000 . 7.000 4.579 4.115 5.271 . 0 0 "[ . 1 . 2]" 1
244 1 31 LYS HB3 1 32 TYR H 3.300 . 3.300 2.192 1.798 2.818 0.002 18 0 "[ . 1 . 2]" 1
245 1 31 LYS HB3 1 32 TYR QE 5.000 . 7.000 3.425 3.083 4.063 . 0 0 "[ . 1 . 2]" 1
246 1 32 TYR H 1 33 ILE H 2.900 . 2.900 2.663 2.376 2.963 0.063 18 0 "[ . 1 . 2]" 1
247 1 33 ILE H 1 34 LYS H 2.900 . 2.900 2.920 2.859 2.977 0.077 5 0 "[ . 1 . 2]" 1
248 1 33 ILE HB 1 34 LYS H 3.300 . 3.300 2.835 2.080 3.316 0.016 20 0 "[ . 1 . 2]" 1
249 1 34 LYS H 1 35 ASP H 5.000 . 5.000 3.687 2.356 4.580 . 0 0 "[ . 1 . 2]" 1
250 1 34 LYS QB 1 35 ASP H 3.300 . 4.000 2.005 1.652 2.831 0.148 8 0 "[ . 1 . 2]" 1
251 1 34 LYS QG 1 35 ASP H 5.000 . 5.700 3.074 1.749 4.636 0.051 11 0 "[ . 1 . 2]" 1
252 1 36 ILE HA 1 37 ASN H 3.300 . 3.300 2.552 2.149 3.091 . 0 0 "[ . 1 . 2]" 1
253 1 36 ILE MG 1 37 ASN H 3.300 . 3.700 2.005 1.636 2.905 0.164 19 0 "[ . 1 . 2]" 1
254 1 36 ILE MD 1 37 ASN H 5.000 . 5.400 3.882 3.080 4.511 . 0 0 "[ . 1 . 2]" 1
255 1 37 ASN H 1 38 ARG H 2.900 . 2.900 2.005 1.743 2.814 0.057 6 0 "[ . 1 . 2]" 1
256 1 38 ARG H 1 39 PHE H 5.000 . 5.000 3.894 3.624 4.180 . 0 0 "[ . 1 . 2]" 1
257 1 38 ARG HA 1 39 PHE H 2.900 . 2.900 2.156 2.105 2.224 . 0 0 "[ . 1 . 2]" 1
258 1 38 ARG QD 1 39 PHE H 5.000 . 5.700 3.743 2.473 4.804 . 0 0 "[ . 1 . 2]" 1
259 1 39 PHE H 1 40 VAL H 5.000 . 5.000 4.243 4.027 4.409 . 0 0 "[ . 1 . 2]" 1
260 1 39 PHE HA 1 40 VAL H 3.300 . 3.300 2.243 2.144 2.460 . 0 0 "[ . 1 . 2]" 1
261 1 39 PHE HB2 1 40 VAL H 5.000 . 5.000 3.084 2.376 3.569 . 0 0 "[ . 1 . 2]" 1
262 1 39 PHE HB3 1 40 VAL H 5.000 . 5.000 4.094 3.569 4.400 . 0 0 "[ . 1 . 2]" 1
263 1 39 PHE QD 1 40 VAL HA 5.000 . 7.000 3.768 3.229 4.171 . 0 0 "[ . 1 . 2]" 1
264 1 40 VAL H 1 41 PHE H 5.000 . 5.000 4.336 4.064 4.453 . 0 0 "[ . 1 . 2]" 1
265 1 40 VAL HA 1 41 PHE H 2.900 . 2.900 2.184 2.090 2.345 . 0 0 "[ . 1 . 2]" 1
266 1 40 VAL HB 1 41 PHE H 3.300 . 3.300 2.975 2.477 3.503 0.203 19 0 "[ . 1 . 2]" 1
267 1 40 VAL QG 1 41 PHE H 3.300 . 4.700 3.400 3.168 3.603 . 0 0 "[ . 1 . 2]" 1
268 1 41 PHE H 1 42 LYS H 5.000 . 5.000 3.613 2.782 4.391 . 0 0 "[ . 1 . 2]" 1
269 1 41 PHE HA 1 42 LYS H 2.900 . 2.900 2.423 2.154 2.705 . 0 0 "[ . 1 . 2]" 1
270 1 41 PHE QD 1 42 LYS H 3.300 . 5.300 3.743 1.936 4.916 . 0 0 "[ . 1 . 2]" 1
271 1 42 LYS QB 1 43 ASN H 5.000 . 5.700 3.312 1.718 4.041 0.082 11 0 "[ . 1 . 2]" 1
272 1 42 LYS QG 1 43 ASN H 5.000 . 5.700 3.844 2.208 4.446 . 0 0 "[ . 1 . 2]" 1
273 1 43 ASN H 1 44 ASN H 5.000 . 5.000 2.426 1.788 3.714 0.012 12 0 "[ . 1 . 2]" 1
274 1 44 ASN H 1 45 VAL H 3.300 . 3.300 2.380 1.652 2.887 0.148 6 0 "[ . 1 . 2]" 1
275 1 45 VAL H 1 46 LEU H 5.000 . 5.000 4.426 4.369 4.492 . 0 0 "[ . 1 . 2]" 1
276 1 45 VAL HA 1 46 LEU H 2.900 . 2.900 2.403 2.211 2.565 . 0 0 "[ . 1 . 2]" 1
277 1 45 VAL HA 1 46 LEU MD1 5.000 . 5.400 3.046 2.405 3.551 . 0 0 "[ . 1 . 2]" 1
278 1 45 VAL HB 1 46 LEU H 5.000 . 5.000 3.530 2.840 4.052 . 0 0 "[ . 1 . 2]" 1
279 1 45 VAL MG1 1 46 LEU H 3.300 . 3.700 1.812 1.592 2.192 0.208 17 0 "[ . 1 . 2]" 1
280 1 46 LEU HA 1 47 LEU H 2.900 . 2.900 2.160 2.127 2.190 . 0 0 "[ . 1 . 2]" 1
281 1 47 LEU HA 1 48 ILE H 2.500 . 2.500 2.229 2.179 2.267 . 0 0 "[ . 1 . 2]" 1
282 1 48 ILE HA 1 49 LEU H 2.900 . 2.900 2.175 2.144 2.215 . 0 0 "[ . 1 . 2]" 1
283 1 48 ILE MG 1 49 LEU H 3.300 . 3.700 2.418 2.305 2.577 . 0 0 "[ . 1 . 2]" 1
284 1 48 ILE QG 1 49 LEU H 5.900 . 6.300 4.027 3.741 4.216 . 0 0 "[ . 1 . 2]" 1
285 1 49 LEU H 1 50 LEU H 5.000 . 5.000 4.557 4.110 4.603 . 0 0 "[ . 1 . 2]" 1
286 1 49 LEU QB 1 50 LEU H 5.900 . 6.600 3.211 2.994 3.999 . 0 0 "[ . 1 . 2]" 1
287 1 50 LEU MD1 1 51 GLU H 5.000 . 5.400 3.363 2.741 3.923 . 0 0 "[ . 1 . 2]" 1
288 1 51 GLU H 1 52 ASN H 3.300 . 3.300 2.459 2.242 2.804 . 0 0 "[ . 1 . 2]" 1
289 1 52 ASN H 1 53 GLU H 5.000 . 5.000 4.338 4.110 4.516 . 0 0 "[ . 1 . 2]" 1
290 1 52 ASN HA 1 53 GLU H 2.900 . 2.900 2.177 2.133 2.268 . 0 0 "[ . 1 . 2]" 1
291 1 53 GLU H 1 54 PHE H 3.300 . 3.300 2.791 2.590 3.142 . 0 0 "[ . 1 . 2]" 1
292 1 53 GLU H 1 54 PHE QD 5.000 . 7.000 4.746 3.432 6.589 . 0 0 "[ . 1 . 2]" 1
293 1 53 GLU HB2 1 54 PHE H 5.000 . 5.000 3.987 3.821 4.168 . 0 0 "[ . 1 . 2]" 1
294 1 53 GLU HB3 1 54 PHE H 5.000 . 5.000 2.763 2.418 3.859 . 0 0 "[ . 1 . 2]" 1
295 1 53 GLU QG 1 54 PHE H 5.000 . 5.700 3.245 2.071 3.596 . 0 0 "[ . 1 . 2]" 1
296 1 53 GLU QG 1 54 PHE HA 3.300 . 4.000 3.317 3.017 3.446 . 0 0 "[ . 1 . 2]" 1
297 1 54 PHE H 1 55 ALA H 2.900 . 2.900 2.941 2.873 2.980 0.080 14 0 "[ . 1 . 2]" 1
298 1 54 PHE QB 1 55 ALA H 3.300 . 4.000 2.031 1.827 2.222 . 0 0 "[ . 1 . 2]" 1
299 1 54 PHE QD 1 55 ALA H 5.000 . 7.000 3.644 2.771 4.273 . 0 0 "[ . 1 . 2]" 1
300 1 55 ALA H 1 56 ARG H 3.300 . 3.300 2.991 2.809 3.298 . 0 0 "[ . 1 . 2]" 1
301 1 55 ALA MB 1 56 ARG HA 5.000 . 5.400 3.812 3.612 3.930 . 0 0 "[ . 1 . 2]" 1
302 1 56 ARG H 1 57 ASN H 3.300 . 3.300 2.507 2.276 3.027 . 0 0 "[ . 1 . 2]" 1
303 1 56 ARG QB 1 57 ASN H 3.300 . 4.000 2.732 2.486 2.987 . 0 0 "[ . 1 . 2]" 1
304 1 57 ASN H 1 58 SER H 2.900 . 2.900 2.807 2.473 2.955 0.055 18 0 "[ . 1 . 2]" 1
305 1 57 ASN QB 1 58 SER H 3.300 . 4.000 2.324 1.960 2.958 . 0 0 "[ . 1 . 2]" 1
306 1 58 SER H 1 59 LEU H 3.300 . 3.300 2.560 2.442 2.843 . 0 0 "[ . 1 . 2]" 1
307 1 58 SER HB2 1 59 LEU H 3.300 . 3.300 3.173 2.756 3.454 0.154 6 0 "[ . 1 . 2]" 1
308 1 58 SER HB3 1 59 LEU H 3.300 . 3.300 2.720 2.316 3.403 0.103 6 0 "[ . 1 . 2]" 1
309 1 59 LEU H 1 60 ASN H 3.300 . 3.300 2.997 2.779 3.090 . 0 0 "[ . 1 . 2]" 1
310 1 59 LEU HB2 1 60 ASN H 5.000 . 5.000 2.553 2.441 2.757 . 0 0 "[ . 1 . 2]" 1
311 1 59 LEU HB3 1 60 ASN H 5.000 . 5.000 3.161 2.991 3.691 . 0 0 "[ . 1 . 2]" 1
312 1 59 LEU MD1 1 60 ASN H 5.000 . 5.400 4.423 4.312 4.499 . 0 0 "[ . 1 . 2]" 1
313 1 62 ASN HA 1 63 SER H 2.900 . 2.900 2.438 2.181 2.672 . 0 0 "[ . 1 . 2]" 1
314 1 63 SER H 1 64 GLU H 3.300 . 3.300 3.208 2.377 3.366 0.066 12 0 "[ . 1 . 2]" 1
315 1 64 GLU H 1 65 ILE H 3.300 . 3.300 3.017 2.360 3.367 0.067 17 0 "[ . 1 . 2]" 1
316 1 65 ILE H 1 66 ILE H 3.300 . 3.300 2.719 2.607 2.905 . 0 0 "[ . 1 . 2]" 1
317 1 65 ILE HB 1 66 ILE H 5.000 . 5.000 3.419 3.052 3.624 . 0 0 "[ . 1 . 2]" 1
318 1 66 ILE H 1 67 HIS H 5.000 . 5.000 2.382 2.182 2.678 . 0 0 "[ . 1 . 2]" 1
319 1 66 ILE HB 1 67 HIS H 5.000 . 5.000 4.309 3.988 4.418 . 0 0 "[ . 1 . 2]" 1
320 1 66 ILE MG 1 67 HIS H 3.300 . 3.700 2.613 2.038 2.965 . 0 0 "[ . 1 . 2]" 1
321 1 67 HIS H 1 68 LEU H 3.300 . 3.300 2.568 2.394 2.905 . 0 0 "[ . 1 . 2]" 1
322 1 67 HIS H 1 68 LEU MD1 3.300 . 3.700 2.690 2.343 2.952 . 0 0 "[ . 1 . 2]" 1
323 1 67 HIS H 1 68 LEU HG 5.000 . 5.000 4.147 3.845 4.421 . 0 0 "[ . 1 . 2]" 1
324 1 67 HIS QB 1 68 LEU H 3.300 . 4.000 3.090 2.433 3.805 . 0 0 "[ . 1 . 2]" 1
325 1 68 LEU H 1 69 ALA H 2.900 . 2.900 1.982 1.787 2.199 0.013 7 0 "[ . 1 . 2]" 1
326 1 68 LEU HB2 1 69 ALA H 5.000 . 5.000 2.724 2.556 3.062 . 0 0 "[ . 1 . 2]" 1
327 1 68 LEU HB3 1 69 ALA H 5.000 . 5.000 4.027 3.925 4.188 . 0 0 "[ . 1 . 2]" 1
328 1 68 LEU MD1 1 69 ALA H 5.000 . 5.400 2.035 1.738 2.312 0.062 7 0 "[ . 1 . 2]" 1
329 1 68 LEU MD2 1 69 ALA H 5.000 . 5.400 4.360 4.189 4.566 . 0 0 "[ . 1 . 2]" 1
330 1 69 ALA H 1 70 GLU H 2.900 . 2.900 2.794 2.667 2.939 0.039 14 0 "[ . 1 . 2]" 1
331 1 70 GLU H 1 71 SER H 3.300 . 3.300 2.969 2.413 3.281 . 0 0 "[ . 1 . 2]" 1
332 1 70 GLU HA 1 71 SER H 3.300 . 3.300 3.082 2.885 3.449 0.149 17 0 "[ . 1 . 2]" 1
333 1 70 GLU QG 1 71 SER H 3.300 . 4.000 3.330 2.581 3.662 . 0 0 "[ . 1 . 2]" 1
334 1 72 LEU H 1 73 TYR H 2.900 . 2.900 2.608 2.044 2.972 0.072 5 0 "[ . 1 . 2]" 1
335 1 72 LEU H 1 73 TYR HD2 5.000 . 5.000 4.051 3.135 4.972 . 0 0 "[ . 1 . 2]" 1
336 1 72 LEU QB 1 73 TYR H 3.300 . 4.000 2.824 1.796 3.003 0.004 5 0 "[ . 1 . 2]" 1
337 1 72 LEU HB3 1 73 TYR QD 5.000 . 7.000 2.541 2.206 3.163 . 0 0 "[ . 1 . 2]" 1
338 1 72 LEU HB2 1 73 TYR QD 5.000 . 7.000 3.701 2.408 4.794 . 0 0 "[ . 1 . 2]" 1
339 1 72 LEU MD2 1 73 TYR QD 5.000 . 7.400 4.016 2.171 4.958 . 0 0 "[ . 1 . 2]" 1
340 1 72 LEU HB3 1 73 TYR QE 3.300 . 5.300 2.744 2.342 3.909 . 0 0 "[ . 1 . 2]" 1
341 1 72 LEU MD2 1 73 TYR QE 5.000 . 7.400 3.497 2.223 4.876 . 0 0 "[ . 1 . 2]" 1
342 1 72 LEU HB2 1 73 TYR QE 3.300 . 6.000 3.809 2.510 5.266 . 0 0 "[ . 1 . 2]" 1
343 1 72 LEU HG 1 73 TYR QE 5.000 . 7.000 3.833 3.192 4.814 . 0 0 "[ . 1 . 2]" 1
344 1 73 TYR H 1 74 GLU H 5.000 . 5.000 4.174 2.991 4.497 . 0 0 "[ . 1 . 2]" 1
345 1 73 TYR HA 1 74 GLU H 3.300 . 3.300 2.438 2.131 2.709 . 0 0 "[ . 1 . 2]" 1
346 1 74 GLU H 1 75 GLY H 5.000 . 5.000 3.334 2.431 4.649 . 0 0 "[ . 1 . 2]" 1
347 1 74 GLU QB 1 75 GLY H 3.300 . 4.000 3.116 2.145 3.779 . 0 0 "[ . 1 . 2]" 1
348 1 74 GLU QG 1 75 GLY H 5.000 . 5.700 3.567 1.808 4.728 . 0 0 "[ . 1 . 2]" 1
349 1 75 GLY H 1 76 ILE H 3.300 . 3.300 2.787 1.796 3.348 0.048 11 0 "[ . 1 . 2]" 1
350 1 75 GLY HA3 1 76 ILE H 5.000 . 5.000 3.451 3.178 3.570 . 0 0 "[ . 1 . 2]" 1
351 1 75 GLY HA2 1 76 ILE H 5.000 . 5.000 2.648 2.268 3.380 . 0 0 "[ . 1 . 2]" 1
352 1 76 ILE HA 1 77 LYS H 3.300 . 3.300 2.222 2.126 2.322 . 0 0 "[ . 1 . 2]" 1
353 1 77 LYS H 1 78 SER H 3.300 . 3.300 2.372 2.051 3.365 0.065 4 0 "[ . 1 . 2]" 1
354 1 77 LYS QB 1 78 SER H 5.000 . 5.700 2.613 1.754 2.771 0.046 4 0 "[ . 1 . 2]" 1
355 1 78 SER H 1 79 VAL H 5.000 . 5.000 4.359 4.343 4.484 . 0 0 "[ . 1 . 2]" 1
356 1 78 SER HA 1 79 VAL H 2.900 . 2.900 2.598 2.471 2.695 . 0 0 "[ . 1 . 2]" 1
357 1 78 SER QB 1 79 VAL H 3.300 . 4.000 2.449 1.869 3.112 . 0 0 "[ . 1 . 2]" 1
358 1 79 VAL H 1 80 ASN H 5.000 . 5.000 4.330 4.285 4.351 . 0 0 "[ . 1 . 2]" 1
359 1 79 VAL HA 1 80 ASN H 2.900 . 2.900 2.237 2.147 2.287 . 0 0 "[ . 1 . 2]" 1
360 1 79 VAL MG1 1 80 ASN H 3.300 . 3.700 2.250 2.138 2.495 . 0 0 "[ . 1 . 2]" 1
361 1 81 PHE HA 1 82 VAL H 2.900 . 2.900 2.272 2.208 2.426 . 0 0 "[ . 1 . 2]" 1
362 1 81 PHE HB2 1 82 VAL H 5.000 . 5.000 3.474 2.989 4.153 . 0 0 "[ . 1 . 2]" 1
363 1 81 PHE HB3 1 82 VAL H 5.000 . 5.000 3.203 2.837 3.433 . 0 0 "[ . 1 . 2]" 1
364 1 82 VAL HA 1 83 ASN H 2.900 . 2.900 2.799 2.626 2.957 0.057 11 0 "[ . 1 . 2]" 1
365 1 82 VAL HB 1 83 ASN H 2.900 . 2.900 1.871 1.780 2.037 0.020 14 0 "[ . 1 . 2]" 1
366 1 82 VAL MG1 1 83 ASN H 5.000 . 5.400 3.459 2.757 3.663 . 0 0 "[ . 1 . 2]" 1
367 1 83 ASN HB2 1 84 GLU H 3.300 . 3.300 3.051 2.347 3.511 0.211 15 0 "[ . 1 . 2]" 1
368 1 83 ASN HB3 1 84 GLU H 3.300 . 3.300 3.037 2.626 3.410 0.110 15 0 "[ . 1 . 2]" 1
369 1 84 GLU H 1 85 GLN H 3.300 . 3.300 3.264 2.807 3.468 0.168 7 0 "[ . 1 . 2]" 1
370 1 84 GLU QG 1 85 GLN H 5.000 . 5.700 3.411 1.724 4.099 0.076 9 0 "[ . 1 . 2]" 1
371 1 85 GLN H 1 86 ASP H 2.900 . 2.900 2.877 2.652 3.003 0.103 17 0 "[ . 1 . 2]" 1
372 1 85 GLN QB 1 86 ASP H 4.200 . 4.900 2.360 2.274 2.577 . 0 0 "[ . 1 . 2]" 1
373 1 86 ASP H 1 87 PHE H 3.300 . 3.300 3.028 2.774 3.165 . 0 0 "[ . 1 . 2]" 1
374 1 86 ASP H 1 87 PHE QB 5.000 . 5.700 4.554 4.369 4.705 . 0 0 "[ . 1 . 2]" 1
375 1 87 PHE H 1 88 PHE H 3.300 . 3.300 2.860 2.728 2.986 . 0 0 "[ . 1 . 2]" 1
376 1 87 PHE H 1 88 PHE QB 5.000 . 5.700 4.574 4.447 4.695 . 0 0 "[ . 1 . 2]" 1
377 1 87 PHE QD 1 88 PHE H 5.000 . 7.000 3.087 2.265 3.791 . 0 0 "[ . 1 . 2]" 1
378 1 88 PHE HB2 1 89 PHE H 5.000 . 5.000 3.486 2.680 4.117 . 0 0 "[ . 1 . 2]" 1
379 1 88 PHE HB3 1 89 PHE H 5.000 . 5.000 2.475 1.953 3.437 . 0 0 "[ . 1 . 2]" 1
380 1 89 PHE HB2 1 90 ASN H 5.000 . 5.000 3.870 3.648 4.037 . 0 0 "[ . 1 . 2]" 1
381 1 89 PHE HB3 1 90 ASN H 5.000 . 5.000 2.764 2.593 3.016 . 0 0 "[ . 1 . 2]" 1
382 1 89 PHE QD 1 90 ASN H 5.000 . 7.000 3.915 3.339 4.582 . 0 0 "[ . 1 . 2]" 1
383 1 90 ASN HB2 1 91 LEU H 5.000 . 5.000 3.737 2.948 4.457 . 0 0 "[ . 1 . 2]" 1
384 1 90 ASN HB3 1 91 LEU H 5.000 . 5.000 2.759 2.325 4.179 . 0 0 "[ . 1 . 2]" 1
385 1 91 LEU H 1 92 ALA H 5.000 . 5.000 2.450 2.269 2.679 . 0 0 "[ . 1 . 2]" 1
386 1 91 LEU H 1 92 ALA HA 5.000 . 5.000 5.031 4.914 5.140 0.140 9 0 "[ . 1 . 2]" 1
387 1 91 LEU QB 1 92 ALA H 3.300 . 4.000 3.188 1.837 3.688 . 0 0 "[ . 1 . 2]" 1
388 1 93 LYS H 1 94 LEU H 3.300 . 3.300 2.860 1.721 3.407 0.107 15 0 "[ . 1 . 2]" 1
389 1 93 LYS QG 1 94 LEU H 3.300 . 4.000 3.333 2.514 3.705 . 0 0 "[ . 1 . 2]" 1
390 1 96 GLU H 1 97 ASN H 3.300 . 3.300 2.551 1.781 3.310 0.019 14 0 "[ . 1 . 2]" 1
391 1 97 ASN HA 1 98 SER H 3.300 . 3.300 2.625 2.174 3.312 0.012 13 0 "[ . 1 . 2]" 1
392 1 98 SER HA 1 99 ARG H 3.300 . 3.300 2.778 2.149 3.351 0.051 15 0 "[ . 1 . 2]" 1
393 1 100 ASP QB 1 101 THR H 3.300 . 4.000 3.073 1.734 3.643 0.066 10 0 "[ . 1 . 2]" 1
394 1 101 THR HB 1 102 LEU H 5.000 . 5.000 4.206 3.568 4.657 . 0 0 "[ . 1 . 2]" 1
395 1 101 THR MG 1 102 LEU H 5.000 . 5.400 3.563 2.837 4.302 . 0 0 "[ . 1 . 2]" 1
396 1 103 TYR HA 1 104 GLN H 3.300 . 3.300 2.614 2.146 3.520 0.220 5 0 "[ . 1 . 2]" 1
397 1 29 HIS HD2 1 33 ILE MG 5.000 . 5.400 2.842 2.080 3.953 . 0 0 "[ . 1 . 2]" 1
398 1 29 HIS HE1 1 34 LYS HA 3.300 . 3.300 3.014 2.312 3.322 0.022 4 0 "[ . 1 . 2]" 1
399 1 29 HIS HE1 1 34 LYS QB 5.000 . 5.700 4.546 3.209 5.111 . 0 0 "[ . 1 . 2]" 1
400 1 29 HIS HE1 1 34 LYS QG 5.000 . 5.700 4.189 2.842 5.090 . 0 0 "[ . 1 . 2]" 1
401 1 25 THR MG 1 28 PHE QB 3.300 . 4.400 2.372 1.921 3.179 . 0 0 "[ . 1 . 2]" 1
402 1 25 THR MG 1 28 PHE QD 3.300 . 5.700 3.406 2.731 4.429 . 0 0 "[ . 1 . 2]" 1
403 1 28 PHE HA 1 32 TYR HD1 5.000 . 5.000 3.961 2.559 4.934 . 0 0 "[ . 1 . 2]" 1
404 1 28 PHE HA 1 32 TYR HE1 5.000 . 5.000 4.426 3.529 5.013 0.013 1 0 "[ . 1 . 2]" 1
405 1 9 GLU HA 1 12 ASN H 5.000 . 5.000 3.464 3.224 3.725 . 0 0 "[ . 1 . 2]" 1
406 1 9 GLU HA 1 12 ASN HB2 3.300 . 3.300 2.968 2.296 3.307 0.007 18 0 "[ . 1 . 2]" 1
407 1 9 GLU HA 1 12 ASN HB3 3.300 . 3.300 2.621 2.325 3.297 . 0 0 "[ . 1 . 2]" 1
408 1 10 GLN HA 1 13 ALA H 5.000 . 5.000 3.388 3.305 3.449 . 0 0 "[ . 1 . 2]" 1
409 1 10 GLN HA 1 13 ALA MB 3.300 . 3.300 2.572 2.300 2.680 . 0 0 "[ . 1 . 2]" 1
410 1 11 PHE HA 1 14 PHE HB2 5.000 . 5.000 4.825 4.163 5.069 0.069 12 0 "[ . 1 . 2]" 1
411 1 11 PHE HA 1 14 PHE HB3 5.000 . 5.000 3.138 2.652 3.360 . 0 0 "[ . 1 . 2]" 1
412 1 12 ASN HA 1 15 LYS QB 3.300 . 4.000 2.750 2.314 3.031 . 0 0 "[ . 1 . 2]" 1
413 1 12 ASN HA 1 15 LYS QE 3.300 . 4.000 3.073 2.302 3.652 . 0 0 "[ . 1 . 2]" 1
414 1 13 ALA HA 1 16 SER QB 3.300 . 4.000 3.109 2.695 3.660 . 0 0 "[ . 1 . 2]" 1
415 1 14 PHE HA 1 17 LEU QB 3.300 . 4.000 2.594 2.266 2.918 . 0 0 "[ . 1 . 2]" 1
416 1 15 LYS HA 1 18 LEU H 3.300 . 3.300 3.268 3.142 3.402 0.102 19 0 "[ . 1 . 2]" 1
417 1 15 LYS HA 1 18 LEU QB 3.300 . 4.000 3.040 2.811 3.197 . 0 0 "[ . 1 . 2]" 1
418 1 15 LYS HA 1 18 LEU MD1 3.300 . 3.700 2.269 2.189 2.494 . 0 0 "[ . 1 . 2]" 1
419 1 15 LYS HG3 1 18 LEU MD1 3.300 . 3.700 2.986 2.829 3.045 . 0 0 "[ . 1 . 2]" 1
420 1 16 SER HA 1 19 LYS H 5.000 . 5.000 3.218 2.976 3.481 . 0 0 "[ . 1 . 2]" 1
421 1 16 SER HA 1 19 LYS HB2 5.000 . 5.000 2.865 2.445 3.358 . 0 0 "[ . 1 . 2]" 1
422 1 16 SER HA 1 19 LYS HB3 5.000 . 5.000 3.920 3.259 4.618 . 0 0 "[ . 1 . 2]" 1
423 1 17 LEU HA 1 20 LYS H 5.000 . 5.000 3.765 3.527 4.129 . 0 0 "[ . 1 . 2]" 1
424 1 17 LEU HA 1 20 LYS HB2 5.000 . 5.000 3.456 3.175 4.049 . 0 0 "[ . 1 . 2]" 1
425 1 17 LEU HA 1 20 LYS HB3 5.000 . 5.000 4.852 4.241 5.041 0.041 9 0 "[ . 1 . 2]" 1
426 1 18 LEU HA 1 21 HIS QB 3.300 . 4.000 2.395 2.097 3.383 . 0 0 "[ . 1 . 2]" 1
427 1 18 LEU HA 1 21 HIS H 3.300 . 3.300 3.089 2.951 3.324 0.024 18 0 "[ . 1 . 2]" 1
428 1 18 LEU HA 1 22 TYR QD 5.000 . 7.000 4.547 3.883 5.109 . 0 0 "[ . 1 . 2]" 1
429 1 18 LEU MD1 1 22 TYR QD 5.000 . 7.400 5.237 3.995 5.569 . 0 0 "[ . 1 . 2]" 1
430 1 18 LEU MD2 1 22 TYR QD 2.500 . 4.900 3.297 2.243 3.817 . 0 0 "[ . 1 . 2]" 1
431 1 18 LEU MD2 1 22 TYR QE 3.300 . 5.700 3.641 3.016 4.050 . 0 0 "[ . 1 . 2]" 1
432 1 19 LYS HA 1 22 TYR H 5.000 . 5.000 3.693 3.449 4.013 . 0 0 "[ . 1 . 2]" 1
433 1 19 LYS HA 1 22 TYR QB 3.300 . 4.000 3.480 3.228 3.588 . 0 0 "[ . 1 . 2]" 1
434 1 20 LYS HA 1 23 GLU H 5.000 . 5.000 4.075 3.841 4.783 . 0 0 "[ . 1 . 2]" 1
435 1 20 LYS HA 1 23 GLU QB 3.300 . 4.000 2.721 2.453 3.549 . 0 0 "[ . 1 . 2]" 1
436 1 22 TYR HA 1 25 THR H 3.300 . 3.300 3.030 2.677 3.312 0.012 19 0 "[ . 1 . 2]" 1
437 1 25 THR HA 1 28 PHE HB2 5.000 . 5.000 4.565 3.746 5.014 0.014 18 0 "[ . 1 . 2]" 1
438 1 25 THR HA 1 28 PHE HB3 5.000 . 5.000 4.235 3.405 4.777 . 0 0 "[ . 1 . 2]" 1
439 1 22 TYR QE 1 25 THR HA 5.000 . 7.000 6.135 5.206 6.460 . 0 0 "[ . 1 . 2]" 1
440 1 26 ILE HA 1 29 HIS HB2 3.300 . 3.300 3.334 3.274 3.360 0.060 19 0 "[ . 1 . 2]" 1
441 1 26 ILE HA 1 29 HIS HB3 3.300 . 3.300 2.915 2.318 3.325 0.025 6 0 "[ . 1 . 2]" 1
442 1 27 GLY QA 1 30 ASP H 5.000 . 5.700 3.338 3.085 3.564 . 0 0 "[ . 1 . 2]" 1
443 1 27 GLY HA3 1 30 ASP HB2 5.000 . 5.000 4.971 4.499 5.038 0.038 18 0 "[ . 1 . 2]" 1
444 1 27 GLY HA2 1 30 ASP HB2 5.000 . 5.000 3.287 2.802 3.442 . 0 0 "[ . 1 . 2]" 1
445 1 27 GLY HA3 1 30 ASP HB3 5.000 . 5.000 4.474 3.961 5.004 0.004 18 0 "[ . 1 . 2]" 1
446 1 28 PHE HA 1 31 LYS HB2 3.300 . 3.300 2.645 2.274 3.360 0.060 18 0 "[ . 1 . 2]" 1
447 1 28 PHE HA 1 31 LYS HB3 3.300 . 3.300 3.205 2.740 3.346 0.046 13 0 "[ . 1 . 2]" 1
448 1 29 HIS HA 1 32 TYR H 5.000 . 5.000 3.781 3.277 4.265 . 0 0 "[ . 1 . 2]" 1
449 1 41 PHE HA 1 45 VAL H 5.000 . 5.000 4.542 3.982 5.080 0.080 3 0 "[ . 1 . 2]" 1
450 1 41 PHE QD 1 45 VAL H 5.000 . 7.000 5.275 3.222 6.529 . 0 0 "[ . 1 . 2]" 1
451 1 42 LYS H 1 45 VAL H 5.000 . 5.000 4.305 3.303 5.099 0.099 17 0 "[ . 1 . 2]" 1
452 1 42 LYS H 1 46 LEU HA 5.000 . 5.000 4.707 4.133 5.057 0.057 7 0 "[ . 1 . 2]" 1
453 1 43 ASN QB 1 45 VAL H 5.000 . 5.700 3.698 2.771 5.138 . 0 0 "[ . 1 . 2]" 1
454 1 52 ASN HB2 1 55 ALA MB 3.300 . 3.700 2.280 2.194 2.720 . 0 0 "[ . 1 . 2]" 1
455 1 52 ASN HB3 1 55 ALA MB 3.300 . 3.700 2.488 2.094 2.898 . 0 0 "[ . 1 . 2]" 1
456 1 53 GLU HA 1 56 ARG H 5.000 . 5.000 3.947 3.697 4.480 . 0 0 "[ . 1 . 2]" 1
457 1 53 GLU HA 1 56 ARG QB 3.300 . 4.000 3.143 2.680 3.557 . 0 0 "[ . 1 . 2]" 1
458 1 54 PHE HA 1 57 ASN HB2 3.300 . 3.300 2.736 2.435 3.112 . 0 0 "[ . 1 . 2]" 1
459 1 54 PHE HA 1 57 ASN HB3 3.300 . 3.300 2.894 2.536 3.321 0.021 6 0 "[ . 1 . 2]" 1
460 1 55 ALA HA 1 58 SER H 5.000 . 5.000 3.897 3.483 4.186 . 0 0 "[ . 1 . 2]" 1
461 1 55 ALA HA 1 58 SER HB2 5.000 . 5.000 3.951 3.162 4.799 . 0 0 "[ . 1 . 2]" 1
462 1 55 ALA HA 1 58 SER HB3 5.000 . 5.000 4.369 3.810 4.966 . 0 0 "[ . 1 . 2]" 1
463 1 56 ARG HA 1 59 LEU H 5.000 . 5.000 3.562 3.313 3.822 . 0 0 "[ . 1 . 2]" 1
464 1 56 ARG HA 1 59 LEU MD1 5.000 . 5.400 2.992 2.706 3.250 . 0 0 "[ . 1 . 2]" 1
465 1 57 ASN HA 1 60 ASN H 5.000 . 5.000 4.630 4.140 5.011 0.011 20 0 "[ . 1 . 2]" 1
466 1 58 SER HA 1 61 ASP H 3.300 . 3.300 3.298 3.191 3.348 0.048 8 0 "[ . 1 . 2]" 1
467 1 60 ASN HA 1 63 SER QB 3.300 . 4.000 2.921 2.238 3.729 . 0 0 "[ . 1 . 2]" 1
468 1 64 GLU HA 1 67 HIS H 5.000 . 5.000 4.126 3.607 4.385 . 0 0 "[ . 1 . 2]" 1
469 1 64 GLU HA 1 67 HIS QB 5.000 . 5.700 4.758 3.879 4.902 . 0 0 "[ . 1 . 2]" 1
470 1 64 GLU QB 1 67 HIS HE1 3.300 . 4.000 3.010 2.372 3.414 . 0 0 "[ . 1 . 2]" 1
471 1 64 GLU QG 1 67 HIS HE1 5.000 . 5.700 4.166 3.118 5.133 . 0 0 "[ . 1 . 2]" 1
472 1 65 ILE HA 1 68 LEU QB 5.000 . 5.700 4.809 4.343 5.095 . 0 0 "[ . 1 . 2]" 1
473 1 65 ILE HA 1 68 LEU HG 5.000 . 5.000 4.579 4.281 4.784 . 0 0 "[ . 1 . 2]" 1
474 1 65 ILE HA 1 68 LEU MD1 5.000 . 5.400 2.118 1.930 2.340 . 0 0 "[ . 1 . 2]" 1
475 1 66 ILE HA 1 69 ALA H 5.000 . 5.000 3.398 3.115 3.834 . 0 0 "[ . 1 . 2]" 1
476 1 66 ILE HA 1 69 ALA MB 3.300 . 3.300 2.353 2.221 2.518 . 0 0 "[ . 1 . 2]" 1
477 1 67 HIS HA 1 70 GLU H 5.000 . 5.000 4.733 4.369 5.055 0.055 17 0 "[ . 1 . 2]" 1
478 1 67 HIS HA 1 70 GLU QB 5.000 . 5.700 4.575 3.841 5.088 . 0 0 "[ . 1 . 2]" 1
479 1 84 GLU HA 1 87 PHE QB 3.300 . 4.000 2.982 2.599 3.273 . 0 0 "[ . 1 . 2]" 1
480 1 84 GLU HA 1 87 PHE QD 5.000 . 7.000 3.467 2.332 4.123 . 0 0 "[ . 1 . 2]" 1
481 1 86 ASP HA 1 89 PHE HB2 3.300 . 3.300 3.132 2.419 3.338 0.038 14 0 "[ . 1 . 2]" 1
482 1 86 ASP HA 1 89 PHE HB3 3.300 . 3.300 3.104 2.863 3.342 0.042 5 0 "[ . 1 . 2]" 1
483 1 87 PHE HA 1 90 ASN H 5.000 . 5.000 3.661 3.306 3.966 . 0 0 "[ . 1 . 2]" 1
484 1 87 PHE QD 1 91 LEU MD1 5.000 . 7.400 5.270 3.926 5.731 . 0 0 "[ . 1 . 2]" 1
485 1 87 PHE QD 1 91 LEU MD2 5.000 . 7.400 3.656 2.873 4.605 . 0 0 "[ . 1 . 2]" 1
486 1 87 PHE QE 1 91 LEU MD1 5.000 . 7.400 4.072 2.670 4.538 . 0 0 "[ . 1 . 2]" 1
487 1 87 PHE QE 1 91 LEU MD2 5.000 . 7.400 2.642 2.119 3.250 . 0 0 "[ . 1 . 2]" 1
488 1 87 PHE HZ 1 91 LEU MD1 5.000 . 5.400 4.056 2.848 4.461 . 0 0 "[ . 1 . 2]" 1
489 1 87 PHE HZ 1 91 LEU MD2 5.000 . 5.400 2.602 2.037 4.248 . 0 0 "[ . 1 . 2]" 1
490 1 88 PHE HA 1 91 LEU HB2 5.000 . 5.000 4.005 2.252 5.019 0.019 20 0 "[ . 1 . 2]" 1
491 1 88 PHE HA 1 91 LEU HB3 5.000 . 5.000 3.556 2.413 5.037 0.037 1 0 "[ . 1 . 2]" 1
492 1 88 PHE QD 1 91 LEU QD 5.000 . 7.400 3.291 2.227 4.362 . 0 0 "[ . 1 . 2]" 1
493 1 88 PHE QE 1 91 LEU HG 5.000 . 5.000 4.555 3.931 4.937 . 0 0 "[ . 1 . 2]" 1
494 1 88 PHE QE 1 91 LEU QD 5.000 . 7.400 3.454 2.564 4.735 . 0 0 "[ . 1 . 2]" 1
495 1 90 ASN HA 1 93 LYS HB2 5.000 . 5.000 3.856 2.622 5.088 0.088 4 0 "[ . 1 . 2]" 1
496 1 90 ASN HA 1 93 LYS HB3 5.000 . 5.000 3.980 2.606 4.966 . 0 0 "[ . 1 . 2]" 1
497 1 91 LEU HA 1 94 LEU H 5.000 . 5.000 4.258 3.714 5.018 0.018 10 0 "[ . 1 . 2]" 1
498 1 91 LEU HA 1 94 LEU QB 5.000 . 5.700 4.434 3.285 5.103 . 0 0 "[ . 1 . 2]" 1
499 1 17 LEU MD1 1 69 ALA HA 3.300 . 3.700 2.886 2.249 3.110 . 0 0 "[ . 1 . 2]" 1
500 1 68 LEU MD1 1 69 ALA HA 5.000 . 5.400 4.218 3.674 4.383 . 0 0 "[ . 1 . 2]" 1
501 1 22 TYR QD 1 59 LEU MD2 5.000 . 7.400 4.938 4.606 5.707 . 0 0 "[ . 1 . 2]" 1
502 1 22 TYR QE 1 59 LEU MD2 3.300 . 5.700 3.227 2.728 3.943 . 0 0 "[ . 1 . 2]" 1
503 1 22 TYR QE 1 65 ILE MD 5.000 . 7.400 3.721 2.302 5.080 . 0 0 "[ . 1 . 2]" 1
504 1 28 PHE HE2 1 55 ALA HA 3.300 . 3.300 2.650 2.264 3.299 . 0 0 "[ . 1 . 2]" 1
505 1 28 PHE HE2 1 55 ALA MB 3.300 . 3.700 2.757 2.312 2.994 . 0 0 "[ . 1 . 2]" 1
506 1 28 PHE HZ 1 55 ALA HA 3.300 . 3.300 2.594 2.281 3.081 . 0 0 "[ . 1 . 2]" 1
507 1 28 PHE HZ 1 55 ALA MB 3.300 . 3.700 2.190 2.054 2.334 . 0 0 "[ . 1 . 2]" 1
508 1 28 PHE HE1 1 59 LEU MD1 3.300 . 3.700 2.655 2.357 2.762 . 0 0 "[ . 1 . 2]" 1
509 1 28 PHE HE1 1 59 LEU MD2 3.300 . 3.700 2.689 2.243 2.881 . 0 0 "[ . 1 . 2]" 1
510 1 28 PHE HZ 1 59 LEU MD1 5.000 . 5.400 2.512 2.178 3.005 . 0 0 "[ . 1 . 2]" 1
511 1 28 PHE HZ 1 59 LEU MD2 5.000 . 5.400 3.673 3.187 4.020 . 0 0 "[ . 1 . 2]" 1
512 1 28 PHE HE1 1 59 LEU HG 5.000 . 5.000 3.491 2.852 3.976 . 0 0 "[ . 1 . 2]" 1
513 1 36 ILE MD 1 50 LEU MD1 5.000 . 5.800 3.150 2.040 3.711 . 0 0 "[ . 1 . 2]" 1
514 1 41 PHE HB3 1 73 TYR HE1 5.000 . 5.000 4.824 3.989 5.055 0.055 18 0 "[ . 1 . 2]" 1
515 1 41 PHE HB2 1 73 TYR HE1 5.000 . 5.000 4.529 3.622 5.026 0.026 15 0 "[ . 1 . 2]" 1
516 1 46 LEU MD2 1 76 ILE MD 3.300 . 4.100 2.480 2.284 2.663 . 0 0 "[ . 1 . 2]" 1
517 1 10 GLN QG 1 73 TYR QE 5.000 . 7.700 3.454 2.619 4.048 . 0 0 "[ . 1 . 2]" 1
518 1 46 LEU MD2 1 73 TYR QE 3.300 . 5.700 3.496 2.928 4.048 . 0 0 "[ . 1 . 2]" 1
519 1 46 LEU MD1 1 73 TYR QE 3.300 . 5.700 4.012 2.659 4.353 . 0 0 "[ . 1 . 2]" 1
520 1 41 PHE QD 1 46 LEU HB2 5.000 . 7.000 5.614 4.615 6.565 . 0 0 "[ . 1 . 2]" 1
521 1 41 PHE QD 1 46 LEU HB3 5.000 . 7.000 5.427 4.522 6.178 . 0 0 "[ . 1 . 2]" 1
522 1 41 PHE QD 1 46 LEU MD2 5.000 . 5.000 3.607 2.183 3.942 . 0 0 "[ . 1 . 2]" 1
523 1 46 LEU MD2 1 69 ALA MB 5.000 . 5.800 3.493 3.137 3.770 . 0 0 "[ . 1 . 2]" 1
524 1 69 ALA MB 1 76 ILE QG 3.300 . 4.100 2.347 2.040 2.615 . 0 0 "[ . 1 . 2]" 1
525 1 69 ALA MB 1 76 ILE MG 5.000 . 5.800 2.791 2.104 3.593 . 0 0 "[ . 1 . 2]" 1
526 1 65 ILE MG 1 79 VAL QG 3.300 . 4.100 2.258 2.114 2.381 . 0 0 "[ . 1 . 2]" 1
527 1 65 ILE MG 1 79 VAL HB 5.000 . 5.400 3.784 3.641 3.971 . 0 0 "[ . 1 . 2]" 1
528 1 50 LEU MD1 1 81 PHE QD 5.000 . 7.400 4.013 3.229 4.580 . 0 0 "[ . 1 . 2]" 1
529 1 50 LEU MD2 1 81 PHE QD 3.300 . 5.700 3.319 3.062 3.477 . 0 0 "[ . 1 . 2]" 1
530 1 10 GLN HA 1 72 LEU MD1 5.000 . 5.400 3.076 2.271 4.273 . 0 0 "[ . 1 . 2]" 1
531 1 10 GLN HA 1 72 LEU MD2 5.000 . 5.400 3.342 2.203 4.440 . 0 0 "[ . 1 . 2]" 1
532 1 10 GLN HG3 1 73 TYR QE 3.300 . 5.300 3.902 2.731 4.621 . 0 0 "[ . 1 . 2]" 1
533 1 10 GLN HG2 1 73 TYR QE 3.300 . 5.300 3.925 3.348 4.708 . 0 0 "[ . 1 . 2]" 1
534 1 13 ALA MB 1 72 LEU QB 5.000 . 6.100 3.689 3.199 4.006 . 0 0 "[ . 1 . 2]" 1
535 1 13 ALA MB 1 72 LEU MD1 5.000 . 5.800 2.207 1.851 3.491 . 0 0 "[ . 1 . 2]" 1
536 1 13 ALA MB 1 72 LEU MD2 5.000 . 5.800 2.011 1.881 2.304 . 0 0 "[ . 1 . 2]" 1
537 1 14 PHE H 1 72 LEU HG 5.000 . 5.000 3.882 2.263 5.066 0.066 5 0 "[ . 1 . 2]" 1
538 1 14 PHE H 1 72 LEU MD1 5.000 . 5.400 3.606 2.127 4.418 . 0 0 "[ . 1 . 2]" 1
539 1 14 PHE HB2 1 72 LEU MD2 5.000 . 5.400 2.986 2.050 4.451 . 0 0 "[ . 1 . 2]" 1
540 1 14 PHE HB2 1 73 TYR HE2 3.300 . 3.300 2.512 2.250 3.299 . 0 0 "[ . 1 . 2]" 1
541 1 14 PHE HB3 1 72 LEU MD2 5.000 . 5.400 3.351 2.063 4.516 . 0 0 "[ . 1 . 2]" 1
542 1 14 PHE HB3 1 73 TYR HE2 3.300 . 3.300 3.332 3.168 3.373 0.073 6 0 "[ . 1 . 2]" 1
543 1 14 PHE QD 1 46 LEU MD2 5.000 . 7.400 4.148 3.450 4.626 . 0 0 "[ . 1 . 2]" 1
544 1 14 PHE QD 1 69 ALA HA 5.000 . 7.000 2.796 2.354 3.434 . 0 0 "[ . 1 . 2]" 1
545 1 14 PHE QD 1 69 ALA MB 5.000 . 7.000 2.875 2.303 3.823 . 0 0 "[ . 1 . 2]" 1
546 1 17 LEU MD1 1 68 LEU HA 3.300 . 3.700 2.947 2.838 3.030 . 0 0 "[ . 1 . 2]" 1
547 1 17 LEU MD1 1 68 LEU QB 3.300 . 4.400 2.059 1.934 2.281 . 0 0 "[ . 1 . 2]" 1
548 1 18 LEU MD1 1 65 ILE MG 5.000 . 5.800 2.963 2.584 3.596 . 0 0 "[ . 1 . 2]" 1
549 1 18 LEU MD2 1 65 ILE MD 3.300 . 4.100 2.328 2.020 2.601 . 0 0 "[ . 1 . 2]" 1
550 1 18 LEU MD2 1 65 ILE MG 3.300 . 4.100 2.356 2.246 2.438 . 0 0 "[ . 1 . 2]" 1
551 1 21 HIS QB 1 68 LEU MD1 5.000 . 6.100 3.614 2.767 4.112 . 0 0 "[ . 1 . 2]" 1
552 1 32 TYR HE2 1 52 ASN HB3 5.000 . 5.000 3.998 2.939 4.929 . 0 0 "[ . 1 . 2]" 1
553 1 32 TYR HE2 1 52 ASN HB2 5.000 . 5.000 4.847 4.405 5.023 0.023 19 0 "[ . 1 . 2]" 1
554 1 32 TYR HB2 1 55 ALA MB 5.000 . 5.400 3.156 2.430 3.642 . 0 0 "[ . 1 . 2]" 1
555 1 32 TYR HB3 1 55 ALA MB 5.000 . 5.400 3.224 2.176 3.967 . 0 0 "[ . 1 . 2]" 1
556 1 32 TYR QE 1 55 ALA HA 5.000 . 7.000 4.430 3.830 5.095 . 0 0 "[ . 1 . 2]" 1
557 1 32 TYR QE 1 55 ALA MB 3.300 . 5.700 3.319 2.830 3.895 . 0 0 "[ . 1 . 2]" 1
558 1 32 TYR QD 1 55 ALA MB 3.300 . 5.700 2.500 2.259 3.309 . 0 0 "[ . 1 . 2]" 1
559 1 28 PHE QE 1 33 ILE MD 3.300 . 5.700 2.318 2.038 2.627 . 0 0 "[ . 1 . 2]" 1
560 1 28 PHE QD 1 33 ILE MD 3.300 . 5.700 3.550 2.670 4.072 . 0 0 "[ . 1 . 2]" 1
561 1 33 ILE HG12 1 59 LEU MD1 5.000 . 5.400 3.757 2.497 4.324 . 0 0 "[ . 1 . 2]" 1
562 1 33 ILE HG13 1 59 LEU MD1 5.000 . 5.400 3.779 2.611 4.266 . 0 0 "[ . 1 . 2]" 1
563 1 33 ILE MD 1 59 LEU MD1 3.300 . 4.100 2.242 2.111 2.416 . 0 0 "[ . 1 . 2]" 1
564 1 38 ARG HB2 1 49 LEU HB2 5.000 . 5.000 3.064 2.149 4.043 . 0 0 "[ . 1 . 2]" 1
565 1 38 ARG HB2 1 49 LEU HB3 5.000 . 5.000 4.220 2.408 5.040 0.040 19 0 "[ . 1 . 2]" 1
566 1 38 ARG HB3 1 49 LEU HB2 5.000 . 5.000 2.697 2.132 4.019 . 0 0 "[ . 1 . 2]" 1
567 1 38 ARG HB3 1 49 LEU HB3 5.000 . 5.000 4.039 3.595 5.030 0.030 1 0 "[ . 1 . 2]" 1
568 1 38 ARG QB 1 49 LEU QB 5.000 . 5.000 2.176 1.942 2.377 . 0 0 "[ . 1 . 2]" 1
569 1 38 ARG QG 1 49 LEU QB 3.300 . 4.700 3.476 2.015 3.705 . 0 0 "[ . 1 . 2]" 1
570 1 38 ARG QG 1 49 LEU MD2 3.300 . 4.400 2.500 1.961 3.178 . 0 0 "[ . 1 . 2]" 1
571 1 38 ARG QD 1 49 LEU MD2 5.000 . 6.100 3.658 2.128 4.394 . 0 0 "[ . 1 . 2]" 1
572 1 39 PHE HA 1 47 LEU H 5.000 . 5.000 4.737 4.535 5.016 0.016 7 0 "[ . 1 . 2]" 1
573 1 39 PHE HA 1 48 ILE HA 2.500 . 2.500 2.541 2.459 2.583 0.083 20 0 "[ . 1 . 2]" 1
574 1 39 PHE HA 1 49 LEU H 5.000 . 5.000 3.793 3.189 4.055 . 0 0 "[ . 1 . 2]" 1
575 1 39 PHE HB2 1 48 ILE HG12 5.000 . 5.000 2.606 2.278 3.390 . 0 0 "[ . 1 . 2]" 1
576 1 39 PHE HB2 1 48 ILE HG13 5.000 . 5.000 3.457 2.273 4.903 . 0 0 "[ . 1 . 2]" 1
577 1 39 PHE HB3 1 48 ILE HG12 5.000 . 5.000 2.434 2.297 3.087 . 0 0 "[ . 1 . 2]" 1
578 1 39 PHE HB3 1 48 ILE HG13 5.000 . 5.000 3.743 2.276 4.216 . 0 0 "[ . 1 . 2]" 1
579 1 39 PHE QB 1 48 ILE HA 5.000 . 5.000 3.216 2.498 3.462 . 0 0 "[ . 1 . 2]" 1
580 1 39 PHE QB 1 48 ILE QG 5.000 . 6.100 2.087 1.938 2.257 . 0 0 "[ . 1 . 2]" 1
581 1 39 PHE QB 1 48 ILE MD 3.300 . 4.400 3.046 2.549 3.323 . 0 0 "[ . 1 . 2]" 1
582 1 39 PHE QD 1 48 ILE MD 3.300 . 6.800 4.403 3.242 5.015 . 0 0 "[ . 1 . 2]" 1
583 1 40 VAL H 1 47 LEU H 3.300 . 3.300 3.161 2.984 3.326 0.026 5 0 "[ . 1 . 2]" 1
584 1 40 VAL H 1 47 LEU QB 5.000 . 5.700 3.794 3.393 4.145 . 0 0 "[ . 1 . 2]" 1
585 1 40 VAL H 1 48 ILE HA 5.000 . 5.000 4.002 3.832 4.145 . 0 0 "[ . 1 . 2]" 1
586 1 40 VAL H 1 48 ILE QG 5.000 . 5.400 3.723 3.268 4.028 . 0 0 "[ . 1 . 2]" 1
587 1 41 PHE HA 1 46 LEU HA 3.300 . 3.300 2.871 2.670 3.106 . 0 0 "[ . 1 . 2]" 1
588 1 41 PHE HA 1 46 LEU MD1 5.000 . 5.400 3.239 2.278 4.376 . 0 0 "[ . 1 . 2]" 1
589 1 41 PHE HA 1 47 LEU H 5.000 . 5.000 4.031 3.508 4.295 . 0 0 "[ . 1 . 2]" 1
590 1 41 PHE QB 1 46 LEU MD1 3.300 . 4.400 2.574 1.995 3.184 . 0 0 "[ . 1 . 2]" 1
591 1 41 PHE QD 1 46 LEU HA 5.000 . 7.000 4.441 3.329 5.455 . 0 0 "[ . 1 . 2]" 1
592 1 45 VAL HA 1 78 SER QB 5.000 . 5.700 4.565 3.597 5.106 . 0 0 "[ . 1 . 2]" 1
593 1 45 VAL MG1 1 78 SER H 5.000 . 5.400 3.737 2.807 4.298 . 0 0 "[ . 1 . 2]" 1
594 1 45 VAL MG1 1 78 SER QB 5.000 . 6.100 3.221 2.230 4.154 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL MG2 1 78 SER H 5.000 . 5.400 4.025 3.128 4.356 . 0 0 "[ . 1 . 2]" 1
596 1 45 VAL MG2 1 78 SER QB 5.000 . 6.100 3.741 3.180 4.303 . 0 0 "[ . 1 . 2]" 1
597 1 46 LEU H 1 79 VAL HA 5.000 . 5.000 3.180 2.889 3.497 . 0 0 "[ . 1 . 2]" 1
598 1 46 LEU H 1 80 ASN H 5.000 . 5.000 4.350 4.110 4.598 . 0 0 "[ . 1 . 2]" 1
599 1 46 LEU QB 1 79 VAL HA 3.300 . 4.000 2.852 2.524 3.107 . 0 0 "[ . 1 . 2]" 1
600 1 46 LEU MD2 1 79 VAL MG1 5.000 . 5.800 3.423 3.024 3.713 . 0 0 "[ . 1 . 2]" 1
601 1 46 LEU MD2 1 79 VAL MG2 5.000 . 5.800 3.244 2.839 3.637 . 0 0 "[ . 1 . 2]" 1
602 1 47 LEU HA 1 81 PHE HA 5.000 . 5.000 3.947 3.705 4.343 . 0 0 "[ . 1 . 2]" 1
603 1 47 LEU MD1 1 87 PHE HA 3.300 . 3.700 2.796 2.330 2.944 . 0 0 "[ . 1 . 2]" 1
604 1 47 LEU MD1 1 87 PHE QD 5.000 . 7.400 2.812 2.172 3.916 . 0 0 "[ . 1 . 2]" 1
605 1 47 LEU MD1 1 90 ASN HB2 3.300 . 3.300 2.692 2.301 2.878 . 0 0 "[ . 1 . 2]" 1
606 1 47 LEU MD1 1 90 ASN HB3 3.300 . 3.300 2.508 2.203 2.760 . 0 0 "[ . 1 . 2]" 1
607 1 47 LEU MD2 1 87 PHE HA 3.300 . 3.300 2.426 2.300 2.607 . 0 0 "[ . 1 . 2]" 1
608 1 47 LEU MD2 1 87 PHE QD 5.000 . 7.400 2.320 1.994 2.993 . 0 0 "[ . 1 . 2]" 1
609 1 47 LEU MD2 1 90 ASN QB 5.000 . 6.100 3.744 3.369 4.037 . 0 0 "[ . 1 . 2]" 1
610 1 48 ILE H 1 81 PHE HA 3.300 . 3.300 2.377 2.153 2.725 . 0 0 "[ . 1 . 2]" 1
611 1 48 ILE H 1 82 VAL H 5.000 . 5.000 3.763 3.442 3.926 . 0 0 "[ . 1 . 2]" 1
612 1 48 ILE H 1 82 VAL MG2 5.000 . 5.400 4.049 3.211 4.242 . 0 0 "[ . 1 . 2]" 1
613 1 48 ILE HA 1 87 PHE QE 5.000 . 7.000 5.396 3.905 6.420 . 0 0 "[ . 1 . 2]" 1
614 1 48 ILE HB 1 81 PHE HA 5.000 . 5.000 3.300 2.948 3.508 . 0 0 "[ . 1 . 2]" 1
615 1 48 ILE MG 1 81 PHE QD 3.300 . 5.700 2.950 2.223 3.303 . 0 0 "[ . 1 . 2]" 1
616 1 48 ILE HB 1 82 VAL H 5.000 . 5.000 4.828 4.514 4.997 . 0 0 "[ . 1 . 2]" 1
617 1 49 LEU MD1 1 83 ASN HA 5.000 . 5.000 3.428 2.472 4.192 . 0 0 "[ . 1 . 2]" 1
618 1 49 LEU MD1 1 84 GLU HA 2.500 . 2.900 2.091 1.987 2.250 . 0 0 "[ . 1 . 2]" 1
619 1 49 LEU MD2 1 87 PHE QD 5.000 . 5.700 2.693 2.136 4.573 . 0 0 "[ . 1 . 2]" 1
620 1 50 LEU H 1 81 PHE HA 5.000 . 5.000 4.987 3.952 5.089 0.089 1 0 "[ . 1 . 2]" 1
621 1 50 LEU H 1 82 VAL H 3.300 . 3.300 3.245 2.044 3.368 0.068 12 0 "[ . 1 . 2]" 1
622 1 50 LEU H 1 83 ASN HA 5.000 . 5.000 3.100 2.702 3.739 . 0 0 "[ . 1 . 2]" 1
623 1 50 LEU HB2 1 81 PHE QD 5.000 . 7.000 3.627 2.563 4.209 . 0 0 "[ . 1 . 2]" 1
624 1 50 LEU HB3 1 81 PHE QD 5.000 . 7.000 4.304 3.913 4.722 . 0 0 "[ . 1 . 2]" 1
625 1 50 LEU MD2 1 56 ARG HA 3.300 . 4.000 2.101 2.021 2.287 . 0 0 "[ . 1 . 2]" 1
626 1 50 LEU HG 1 56 ARG QD 3.300 . 4.000 3.323 2.674 3.677 . 0 0 "[ . 1 . 2]" 1
627 1 50 LEU MD1 1 55 ALA MB 3.300 . 4.100 2.284 2.019 2.568 . 0 0 "[ . 1 . 2]" 1
628 1 50 LEU MD1 1 59 LEU MD1 3.300 . 4.100 2.670 2.267 2.784 . 0 0 "[ . 1 . 2]" 1
629 1 50 LEU MD2 1 81 PHE QB 5.000 . 6.100 2.279 2.001 2.796 . 0 0 "[ . 1 . 2]" 1
630 1 50 LEU MD2 1 55 ALA MB 3.300 . 4.100 2.361 2.234 2.474 . 0 0 "[ . 1 . 2]" 1
631 1 50 LEU MD2 1 56 ARG H 5.000 . 5.400 2.693 2.081 3.016 . 0 0 "[ . 1 . 2]" 1
632 1 50 LEU MD2 1 56 ARG QG 3.300 . 3.700 2.123 1.990 2.212 . 0 0 "[ . 1 . 2]" 1
633 1 50 LEU MD2 1 56 ARG QB 3.300 . 3.700 2.169 2.077 2.261 . 0 0 "[ . 1 . 2]" 1
634 1 50 LEU MD2 1 59 LEU MD1 3.300 . 4.100 1.940 1.871 2.017 . 0 0 "[ . 1 . 2]" 1
635 1 51 GLU HA 1 83 ASN HA 3.300 . 3.300 3.055 2.434 3.331 0.031 7 0 "[ . 1 . 2]" 1
636 1 51 GLU HA 1 83 ASN HB2 5.000 . 5.000 4.358 2.506 5.029 0.029 6 0 "[ . 1 . 2]" 1
637 1 51 GLU HA 1 83 ASN HB3 5.000 . 5.000 3.322 2.658 4.802 . 0 0 "[ . 1 . 2]" 1
638 1 51 GLU HA 1 83 ASN QB 5.000 . 5.700 3.025 2.489 3.502 . 0 0 "[ . 1 . 2]" 1
639 1 51 GLU HA 1 84 GLU H 5.000 . 5.000 4.312 3.548 5.012 0.012 18 0 "[ . 1 . 2]" 1
640 1 59 LEU HB2 1 81 PHE QD 5.000 . 7.000 4.173 3.776 4.655 . 0 0 "[ . 1 . 2]" 1
641 1 59 LEU HB3 1 81 PHE QD 5.000 . 7.000 3.531 3.044 4.171 . 0 0 "[ . 1 . 2]" 1
642 1 59 LEU MD1 1 81 PHE QD 3.300 . 5.700 3.551 3.203 3.835 . 0 0 "[ . 1 . 2]" 1
643 1 66 ILE HB 1 79 VAL MG2 3.300 . 3.700 2.771 2.654 2.831 . 0 0 "[ . 1 . 2]" 1
644 1 66 ILE MG 1 79 VAL H 5.000 . 5.400 4.346 4.311 4.391 . 0 0 "[ . 1 . 2]" 1
645 1 66 ILE MD 1 77 LYS HA 5.000 . 5.400 3.267 2.990 3.442 . 0 0 "[ . 1 . 2]" 1
646 1 66 ILE MD 1 77 LYS QB 5.000 . 6.100 4.437 4.212 4.539 . 0 0 "[ . 1 . 2]" 1
647 1 66 ILE MD 1 78 SER H 5.000 . 5.400 3.563 3.340 4.259 . 0 0 "[ . 1 . 2]" 1
648 1 66 ILE MD 1 78 SER HA 3.300 . 3.700 2.673 2.354 2.910 . 0 0 "[ . 1 . 2]" 1
649 1 66 ILE MG 1 78 SER HA 5.000 . 5.400 3.447 3.199 3.641 . 0 0 "[ . 1 . 2]" 1
650 1 82 VAL MG1 1 87 PHE H 5.000 . 5.400 4.368 3.913 4.502 . 0 0 "[ . 1 . 2]" 1
651 1 82 VAL MG2 1 87 PHE H 5.000 . 5.400 2.067 1.741 3.363 0.059 10 0 "[ . 1 . 2]" 1
652 1 82 VAL MG2 1 87 PHE HA 3.300 . 3.700 2.418 2.199 2.934 . 0 0 "[ . 1 . 2]" 1
653 1 82 VAL MG2 1 87 PHE QB 3.300 . 4.400 2.280 2.043 2.625 . 0 0 "[ . 1 . 2]" 1
654 1 82 VAL MG2 1 87 PHE QD 3.300 . 5.700 3.688 3.357 4.138 . 0 0 "[ . 1 . 2]" 1
655 1 49 LEU QB 1 87 PHE QD 5.000 . 7.700 4.935 2.549 5.522 . 0 0 "[ . 1 . 2]" 1
656 1 49 LEU MD1 1 87 PHE QD 3.300 . 5.700 2.911 2.215 4.154 . 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 50
_Distance_constraint_stats_list.Viol_count 303
_Distance_constraint_stats_list.Viol_total 234.028
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0227
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0117
_Distance_constraint_stats_list.Viol_average_violations_only 0.0386
_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 9 GLU 0.788 0.098 13 0 "[ . 1 . 2]"
1 10 GLN 0.062 0.033 2 0 "[ . 1 . 2]"
1 11 PHE 0.294 0.048 9 0 "[ . 1 . 2]"
1 12 ASN 0.096 0.024 14 0 "[ . 1 . 2]"
1 13 ALA 1.485 0.098 13 0 "[ . 1 . 2]"
1 14 PHE 0.062 0.033 2 0 "[ . 1 . 2]"
1 15 LYS 0.294 0.048 9 0 "[ . 1 . 2]"
1 16 SER 0.096 0.024 14 0 "[ . 1 . 2]"
1 17 LEU 0.696 0.078 17 0 "[ . 1 . 2]"
1 18 LEU 1.204 0.148 19 0 "[ . 1 . 2]"
1 22 TYR 1.204 0.148 19 0 "[ . 1 . 2]"
1 26 ILE 0.233 0.098 18 0 "[ . 1 . 2]"
1 30 ASP 0.233 0.098 18 0 "[ . 1 . 2]"
1 38 ARG 0.404 0.061 11 0 "[ . 1 . 2]"
1 40 VAL 1.655 0.100 15 0 "[ . 1 . 2]"
1 46 LEU 0.840 0.119 9 0 "[ . 1 . 2]"
1 47 LEU 1.655 0.100 15 0 "[ . 1 . 2]"
1 48 ILE 1.685 0.087 12 0 "[ . 1 . 2]"
1 49 LEU 0.404 0.061 11 0 "[ . 1 . 2]"
1 50 LEU 0.736 0.081 12 0 "[ . 1 . 2]"
1 52 ASN 0.304 0.033 6 0 "[ . 1 . 2]"
1 53 GLU 0.048 0.036 12 0 "[ . 1 . 2]"
1 54 PHE 0.352 0.062 14 0 "[ . 1 . 2]"
1 55 ALA 0.058 0.026 6 0 "[ . 1 . 2]"
1 56 ARG 0.357 0.033 6 0 "[ . 1 . 2]"
1 57 ASN 0.048 0.036 12 0 "[ . 1 . 2]"
1 58 SER 1.184 0.098 10 0 "[ . 1 . 2]"
1 59 LEU 0.058 0.026 6 0 "[ . 1 . 2]"
1 60 ASN 0.053 0.028 19 0 "[ . 1 . 2]"
1 62 ASN 0.833 0.098 10 0 "[ . 1 . 2]"
1 65 ILE 0.076 0.029 16 0 "[ . 1 . 2]"
1 69 ALA 0.076 0.029 16 0 "[ . 1 . 2]"
1 80 ASN 1.865 0.119 9 0 "[ . 1 . 2]"
1 82 VAL 1.395 0.087 12 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLU 0.093 0.048 19 0 "[ . 1 . 2]"
1 85 GLN 0.032 0.016 1 0 "[ . 1 . 2]"
1 86 ASP 1.160 0.143 3 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.093 0.048 19 0 "[ . 1 . 2]"
1 89 PHE 0.032 0.016 1 0 "[ . 1 . 2]"
1 90 ASN 1.160 0.143 3 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 9 GLU O 1 13 ALA N 3.300 . 3.300 2.477 2.387 2.816 . 0 0 "[ . 1 . 2]" 2
2 1 9 GLU O 1 13 ALA H 2.300 . 2.300 1.767 1.702 1.919 0.098 13 0 "[ . 1 . 2]" 2
3 1 10 GLN O 1 14 PHE N 3.300 . 3.300 2.860 2.680 3.186 . 0 0 "[ . 1 . 2]" 2
4 1 10 GLN O 1 14 PHE H 2.300 . 2.300 1.975 1.779 2.333 0.033 2 0 "[ . 1 . 2]" 2
5 1 11 PHE O 1 15 LYS N 3.300 . 3.300 2.730 2.593 3.094 . 0 0 "[ . 1 . 2]" 2
6 1 11 PHE O 1 15 LYS H 2.300 . 2.300 1.853 1.752 2.242 0.048 9 0 "[ . 1 . 2]" 2
7 1 12 ASN O 1 16 SER N 3.300 . 3.300 3.045 2.834 3.142 . 0 0 "[ . 1 . 2]" 2
8 1 12 ASN O 1 16 SER H 2.300 . 2.300 2.204 1.904 2.324 0.024 14 0 "[ . 1 . 2]" 2
9 1 13 ALA O 1 17 LEU N 3.300 . 3.300 3.086 2.981 3.296 . 0 0 "[ . 1 . 2]" 2
10 1 13 ALA O 1 17 LEU H 2.300 . 2.300 2.327 2.174 2.378 0.078 17 0 "[ . 1 . 2]" 2
11 1 18 LEU O 1 22 TYR N 3.300 . 3.300 2.618 2.526 2.672 . 0 0 "[ . 1 . 2]" 2
12 1 18 LEU O 1 22 TYR H 2.300 . 2.300 1.740 1.652 1.780 0.148 19 0 "[ . 1 . 2]" 2
13 1 26 ILE O 1 30 ASP N 3.300 . 3.300 2.987 2.686 3.322 0.022 18 0 "[ . 1 . 2]" 2
14 1 26 ILE O 1 30 ASP H 2.300 . 2.300 2.125 1.777 2.398 0.098 18 0 "[ . 1 . 2]" 2
15 1 52 ASN O 1 56 ARG N 3.300 . 3.300 3.155 3.010 3.235 . 0 0 "[ . 1 . 2]" 2
16 1 52 ASN O 1 56 ARG H 2.300 . 2.300 2.298 2.142 2.333 0.033 6 0 "[ . 1 . 2]" 2
17 1 53 GLU O 1 57 ASN N 3.300 . 3.300 2.914 2.681 3.114 . 0 0 "[ . 1 . 2]" 2
18 1 53 GLU O 1 57 ASN H 2.300 . 2.300 2.113 1.799 2.336 0.036 12 0 "[ . 1 . 2]" 2
19 1 54 PHE O 1 58 SER N 3.300 . 3.300 3.197 3.107 3.257 . 0 0 "[ . 1 . 2]" 2
20 1 54 PHE O 1 58 SER H 2.300 . 2.300 2.294 2.203 2.362 0.062 14 0 "[ . 1 . 2]" 2
21 1 55 ALA O 1 59 LEU N 3.300 . 3.300 2.973 2.678 3.178 . 0 0 "[ . 1 . 2]" 2
22 1 55 ALA O 1 59 LEU H 2.300 . 2.300 2.074 1.774 2.304 0.026 6 0 "[ . 1 . 2]" 2
23 1 56 ARG O 1 60 ASN N 3.300 . 3.300 3.104 2.850 3.242 . 0 0 "[ . 1 . 2]" 2
24 1 56 ARG O 1 60 ASN H 2.300 . 2.300 2.169 1.874 2.328 0.028 19 0 "[ . 1 . 2]" 2
25 1 58 SER O 1 62 ASN N 3.300 . 3.300 3.094 2.794 3.155 . 0 0 "[ . 1 . 2]" 2
26 1 58 SER O 1 62 ASN H 2.300 . 2.300 2.320 1.866 2.398 0.098 10 0 "[ . 1 . 2]" 2
27 1 65 ILE O 1 69 ALA N 3.300 . 3.300 3.067 2.833 3.235 . 0 0 "[ . 1 . 2]" 2
28 1 65 ILE O 1 69 ALA H 2.300 . 2.300 2.168 1.922 2.329 0.029 16 0 "[ . 1 . 2]" 2
29 1 83 ASN O 1 87 PHE N 3.300 . 3.300 2.713 2.490 3.001 . 0 0 "[ . 1 . 2]" 2
30 1 83 ASN O 1 87 PHE H 2.300 . 2.300 1.777 1.566 2.116 . 0 0 "[ . 1 . 2]" 2
31 1 84 GLU O 1 88 PHE N 3.300 . 3.300 2.959 2.660 3.187 . 0 0 "[ . 1 . 2]" 2
32 1 84 GLU O 1 88 PHE H 2.300 . 2.300 2.049 1.780 2.348 0.048 19 0 "[ . 1 . 2]" 2
33 1 85 GLN O 1 89 PHE N 3.300 . 3.300 2.834 2.468 3.146 . 0 0 "[ . 1 . 2]" 2
34 1 85 GLN O 1 89 PHE H 2.300 . 2.300 1.994 1.787 2.316 0.016 1 0 "[ . 1 . 2]" 2
35 1 86 ASP O 1 90 ASN N 3.300 . 3.300 3.215 3.116 3.318 0.018 13 0 "[ . 1 . 2]" 2
36 1 86 ASP O 1 90 ASN H 2.300 . 2.300 2.357 2.320 2.443 0.143 3 0 "[ . 1 . 2]" 2
37 1 38 ARG O 1 49 LEU N 3.300 . 3.300 3.198 2.909 3.336 0.036 19 0 "[ . 1 . 2]" 2
38 1 38 ARG O 1 49 LEU H 2.300 . 2.300 2.247 1.961 2.361 0.061 11 0 "[ . 1 . 2]" 2
39 1 40 VAL N 1 47 LEU O 3.300 . 3.300 3.214 3.043 3.270 . 0 0 "[ . 1 . 2]" 2
40 1 40 VAL H 1 47 LEU O 2.300 . 2.300 2.299 2.152 2.358 0.058 4 0 "[ . 1 . 2]" 2
41 1 40 VAL O 1 47 LEU N 3.300 . 3.300 3.295 3.139 3.363 0.063 15 0 "[ . 1 . 2]" 2
42 1 40 VAL O 1 47 LEU H 2.300 . 2.300 2.337 2.160 2.400 0.100 15 0 "[ . 1 . 2]" 2
43 1 46 LEU O 1 80 ASN N 3.300 . 3.300 3.201 3.060 3.273 . 0 0 "[ . 1 . 2]" 2
44 1 46 LEU O 1 80 ASN H 2.300 . 2.300 2.330 2.156 2.419 0.119 9 0 "[ . 1 . 2]" 2
45 1 48 ILE N 1 80 ASN O 3.300 . 3.300 3.142 3.031 3.189 . 0 0 "[ . 1 . 2]" 2
46 1 48 ILE H 1 80 ASN O 2.300 . 2.300 2.351 2.317 2.381 0.081 16 0 "[ . 1 . 2]" 2
47 1 48 ILE O 1 82 VAL N 3.300 . 3.300 3.177 2.685 3.306 0.006 12 0 "[ . 1 . 2]" 2
48 1 48 ILE O 1 82 VAL H 2.300 . 2.300 2.299 1.794 2.387 0.087 12 0 "[ . 1 . 2]" 2
49 1 50 LEU N 1 82 VAL O 3.300 . 3.300 2.546 2.366 2.759 . 0 0 "[ . 1 . 2]" 2
50 1 50 LEU H 1 82 VAL O 2.300 . 2.300 1.778 1.719 1.976 0.081 12 0 "[ . 1 . 2]" 2
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