NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409022 |
1z86   |
6754 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z86
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 941
_Distance_constraint_stats_list.Viol_count 1333
_Distance_constraint_stats_list.Viol_total 1632.489
_Distance_constraint_stats_list.Viol_max 0.694
_Distance_constraint_stats_list.Viol_rms 0.0267
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_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 ARG 0.265 0.038 10 0 "[ . 1 . 2]"
1 3 ARG 0.150 0.036 10 0 "[ . 1 . 2]"
1 4 VAL 0.454 0.098 13 0 "[ . 1 . 2]"
1 5 THR 0.189 0.036 3 0 "[ . 1 . 2]"
1 6 VAL 0.232 0.069 1 0 "[ . 1 . 2]"
1 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.233 0.040 15 0 "[ . 1 . 2]"
1 9 ALA 0.003 0.003 10 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 1.876 0.520 7 2 "[ . + -1 . 2]"
1 15 GLY 0.022 0.022 15 0 "[ . 1 . 2]"
1 16 ILE 3.583 0.520 7 2 "[ . + -1 . 2]"
1 17 SER 1.433 0.148 16 0 "[ . 1 . 2]"
1 18 ILE 5.398 0.280 13 0 "[ . 1 . 2]"
1 19 LYS 7.867 0.205 9 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.501 0.025 8 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.995 0.062 3 0 "[ . 1 . 2]"
1 25 LYS 0.405 0.025 8 0 "[ . 1 . 2]"
1 26 MET 2.133 0.062 3 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ILE 4.325 0.157 16 0 "[ . 1 . 2]"
1 29 LEU 0.644 0.062 9 0 "[ . 1 . 2]"
1 30 ILE 0.991 0.148 16 0 "[ . 1 . 2]"
1 31 SER 1.521 0.117 18 0 "[ . 1 . 2]"
1 32 LYS 5.025 0.239 16 0 "[ . 1 . 2]"
1 33 ILE 2.481 0.148 16 0 "[ . 1 . 2]"
1 34 PHE 1.324 0.239 16 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.041 0.022 15 0 "[ . 1 . 2]"
1 38 ALA 0.221 0.069 1 0 "[ . 1 . 2]"
1 39 ALA 2.065 0.138 10 0 "[ . 1 . 2]"
1 40 ASP 0.976 0.068 13 0 "[ . 1 . 2]"
1 41 GLN 1.069 0.068 13 0 "[ . 1 . 2]"
1 42 THR 1.586 0.112 2 0 "[ . 1 . 2]"
1 43 GLU 1.491 0.112 2 0 "[ . 1 . 2]"
1 44 ALA 0.154 0.098 13 0 "[ . 1 . 2]"
1 45 LEU 0.617 0.107 6 0 "[ . 1 . 2]"
1 46 PHE 0.696 0.054 11 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.271 0.020 10 0 "[ . 1 . 2]"
1 50 ALA 0.286 0.062 9 0 "[ . 1 . 2]"
1 51 ILE 2.547 0.625 20 1 "[ . 1 . +]"
1 52 LEU 1.503 0.135 7 0 "[ . 1 . 2]"
1 53 SER 1.503 0.135 7 0 "[ . 1 . 2]"
1 54 VAL 11.235 0.694 1 12 "[+ **** **1* -*. * *]"
1 55 ASN 0.076 0.020 5 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.650 0.041 17 0 "[ . 1 . 2]"
1 58 ASP 0.559 0.050 5 0 "[ . 1 . 2]"
1 59 LEU 0.698 0.140 4 0 "[ . 1 . 2]"
1 60 SER 0.546 0.050 5 0 "[ . 1 . 2]"
1 61 SER 1.295 0.053 5 0 "[ . 1 . 2]"
1 62 ALA 2.943 0.140 4 0 "[ . 1 . 2]"
1 63 THR 1.920 0.109 18 0 "[ . 1 . 2]"
1 64 HIS 12.314 0.205 9 0 "[ . 1 . 2]"
1 65 ASP 6.934 0.160 9 0 "[ . 1 . 2]"
1 66 GLU 5.775 0.160 9 0 "[ . 1 . 2]"
1 67 ALA 7.312 0.202 9 0 "[ . 1 . 2]"
1 68 VAL 10.043 0.202 9 0 "[ . 1 . 2]"
1 69 GLN 6.625 0.165 7 0 "[ . 1 . 2]"
1 70 ALA 3.370 0.153 12 0 "[ . 1 . 2]"
1 71 LEU 13.453 0.694 1 12 "[+ **** **1* -*. * *]"
1 72 LYS 4.041 0.156 12 0 "[ . 1 . 2]"
1 73 LYS 2.259 0.117 19 0 "[ . 1 . 2]"
1 74 THR 0.545 0.170 16 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LYS 0.412 0.167 8 0 "[ . 1 . 2]"
1 77 GLU 0.459 0.167 8 0 "[ . 1 . 2]"
1 78 VAL 0.384 0.170 16 0 "[ . 1 . 2]"
1 79 VAL 0.115 0.020 7 0 "[ . 1 . 2]"
1 80 LEU 0.853 0.079 17 0 "[ . 1 . 2]"
1 81 GLU 0.055 0.018 19 0 "[ . 1 . 2]"
1 82 VAL 0.321 0.036 10 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 TYR 0.129 0.021 17 0 "[ . 1 . 2]"
1 85 MET 0.356 0.082 4 0 "[ . 1 . 2]"
1 86 LYS 0.279 0.082 4 0 "[ . 1 . 2]"
1 87 GLU 0.141 0.036 9 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 ARG QB 1 3 ARG HA 5.000 . 6.000 4.346 3.913 4.596 . 0 0 "[ . 1 . 2]" 1
2 1 2 ARG QB 1 3 ARG QD 3.300 . 5.300 4.049 3.713 4.270 . 0 0 "[ . 1 . 2]" 1
3 1 2 ARG QB 1 82 VAL QG 5.000 . 8.400 3.992 1.836 4.691 . 0 0 "[ . 1 . 2]" 1
4 1 2 ARG QD 1 82 VAL QG 3.300 . 6.700 3.071 1.930 3.820 . 0 0 "[ . 1 . 2]" 1
5 1 2 ARG QG 1 82 VAL QG 3.300 . 6.700 2.696 2.015 3.576 . 0 0 "[ . 1 . 2]" 1
6 1 3 ARG HA 1 81 GLU HA 2.700 . 2.700 2.033 1.898 2.361 . 0 0 "[ . 1 . 2]" 1
7 1 3 ARG QB 1 3 ARG QD 3.300 . 5.300 2.151 1.958 2.347 . 0 0 "[ . 1 . 2]" 1
8 1 3 ARG QD 1 79 VAL QG 3.300 . 6.700 3.901 3.361 4.141 . 0 0 "[ . 1 . 2]" 1
9 1 4 VAL HA 1 4 VAL QG 2.700 . 4.400 2.108 2.014 2.171 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL HB 1 80 LEU QD 2.700 . 5.100 2.589 1.948 3.143 . 0 0 "[ . 1 . 2]" 1
11 1 4 VAL QG 1 42 THR HB 5.000 . 7.400 3.027 2.301 3.361 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL QG 1 42 THR MG 2.700 . 6.600 3.105 2.503 3.439 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL QG 1 44 ALA MB 2.700 . 6.600 2.085 1.702 2.589 0.098 13 0 "[ . 1 . 2]" 1
14 1 4 VAL QG 1 45 LEU QD 2.700 . 7.500 2.080 1.772 3.056 0.028 7 0 "[ . 1 . 2]" 1
15 1 4 VAL QG 1 45 LEU HG 3.300 . 5.700 3.651 2.781 4.105 . 0 0 "[ . 1 . 2]" 1
16 1 5 THR HA 1 5 THR MG 2.700 . 4.200 2.380 2.155 3.216 . 0 0 "[ . 1 . 2]" 1
17 1 5 THR HA 1 79 VAL HA 2.700 . 2.700 2.324 1.927 2.709 0.009 6 0 "[ . 1 . 2]" 1
18 1 5 THR HA 1 79 VAL QG 5.000 . 7.400 3.136 2.566 3.568 . 0 0 "[ . 1 . 2]" 1
19 1 5 THR MG 1 77 GLU QB 5.000 . 7.500 3.108 1.902 5.522 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR MG 1 77 GLU QG 5.000 . 7.500 3.122 1.948 4.575 . 0 0 "[ . 1 . 2]" 1
21 1 5 THR MG 1 79 VAL HA 5.000 . 6.500 3.537 3.081 4.806 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR MG 1 7 ARG QG 5.000 . 7.500 4.024 2.949 5.375 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL HA 1 42 THR MG 2.700 . 4.200 2.680 2.174 3.370 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HA 1 6 VAL QG 2.700 . 4.400 2.130 2.035 2.248 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL HB 1 80 LEU QD 3.300 . 5.700 3.116 1.922 3.853 . 0 0 "[ . 1 . 2]" 1
26 1 6 VAL QG 1 14 LEU HA 5.000 . 7.400 3.548 2.527 4.484 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL QG 1 14 LEU QD 3.300 . 8.100 2.825 1.748 4.258 0.052 6 0 "[ . 1 . 2]" 1
28 1 6 VAL QG 1 38 ALA MB 2.700 . 6.600 2.000 1.731 2.638 0.069 1 0 "[ . 1 . 2]" 1
29 1 6 VAL QG 1 39 ALA MB 3.300 . 7.200 4.189 3.442 4.435 . 0 0 "[ . 1 . 2]" 1
30 1 6 VAL QG 1 42 THR MG 2.700 . 6.600 2.382 1.769 3.336 0.031 15 0 "[ . 1 . 2]" 1
31 1 6 VAL QG 1 45 LEU QD 3.300 . 8.100 2.852 2.293 3.538 . 0 0 "[ . 1 . 2]" 1
32 1 6 VAL QG 1 78 VAL HB 5.000 . 7.400 3.076 1.813 4.022 . 0 0 "[ . 1 . 2]" 1
33 1 7 ARG HA 1 8 LYS QB 5.000 . 6.000 4.340 4.044 4.566 . 0 0 "[ . 1 . 2]" 1
34 1 7 ARG QB 1 7 ARG QD 3.300 . 5.300 2.086 1.931 2.422 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS QE 1 78 VAL QG 5.000 . 8.400 3.621 1.774 4.951 0.026 9 0 "[ . 1 . 2]" 1
36 1 10 ASP QB 1 11 ALA MB 5.000 . 7.500 3.502 2.979 4.451 . 0 0 "[ . 1 . 2]" 1
37 1 12 GLY QA 1 37 LEU QD 5.000 . 8.400 3.707 2.038 5.002 . 0 0 "[ . 1 . 2]" 1
38 1 14 LEU HA 1 14 LEU QD 2.700 . 4.400 2.552 1.852 3.415 . 0 0 "[ . 1 . 2]" 1
39 1 14 LEU HA 1 38 ALA MB 2.700 . 4.200 2.840 1.931 3.335 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU QB 1 16 ILE QG 5.000 . 7.000 3.384 2.265 4.781 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU QD 1 16 ILE MD 3.300 2.400 7.200 2.738 1.880 3.934 0.520 7 2 "[ . + -1 . 2]" 1
42 1 15 GLY QA 1 37 LEU QD 5.000 . 8.400 1.980 1.778 2.280 0.022 15 0 "[ . 1 . 2]" 1
43 1 16 ILE HA 1 16 ILE MG 2.700 . 4.200 2.162 2.050 2.339 . 0 0 "[ . 1 . 2]" 1
44 1 16 ILE HA 1 30 ILE MG 5.000 . 6.500 4.491 4.260 4.799 . 0 0 "[ . 1 . 2]" 1
45 1 16 ILE HA 1 33 ILE HA 3.300 . 3.300 2.197 1.896 2.995 . 0 0 "[ . 1 . 2]" 1
46 1 16 ILE HB 1 30 ILE MG 5.000 . 6.500 2.995 2.521 3.370 . 0 0 "[ . 1 . 2]" 1
47 1 16 ILE MD 1 16 ILE MG 2.700 . 5.700 2.463 1.702 3.231 0.098 7 0 "[ . 1 . 2]" 1
48 1 16 ILE MD 1 17 SER HA 5.000 . 6.500 4.656 3.368 5.384 . 0 0 "[ . 1 . 2]" 1
49 1 16 ILE MG 1 45 LEU QD 3.300 . 7.200 1.939 1.693 2.398 0.107 6 0 "[ . 1 . 2]" 1
50 1 16 ILE MD 1 71 LEU QD 2.700 . 6.600 2.562 1.871 3.122 . 0 0 "[ . 1 . 2]" 1
51 1 16 ILE QG 1 16 ILE MG 2.700 . 5.200 2.116 1.977 2.402 . 0 0 "[ . 1 . 2]" 1
52 1 16 ILE MG 1 33 ILE HA 5.000 . 6.500 2.050 1.858 2.610 . 0 0 "[ . 1 . 2]" 1
53 1 16 ILE MG 1 39 ALA MB 2.700 . 5.700 1.746 1.662 1.945 0.138 10 0 "[ . 1 . 2]" 1
54 1 17 SER QB 1 32 LYS QB 5.000 . 7.000 1.764 1.652 1.891 0.148 16 0 "[ . 1 . 2]" 1
55 1 18 ILE HA 1 18 ILE MG 2.700 . 4.200 2.335 2.289 2.398 . 0 0 "[ . 1 . 2]" 1
56 1 18 ILE HA 1 30 ILE HA 3.300 . 3.300 2.148 1.966 2.307 . 0 0 "[ . 1 . 2]" 1
57 1 18 ILE HB 1 28 ILE MG 5.000 . 6.500 2.512 2.359 2.670 . 0 0 "[ . 1 . 2]" 1
58 1 18 ILE MD 1 18 ILE MG 2.700 . 5.700 1.906 1.803 1.995 . 0 0 "[ . 1 . 2]" 1
59 1 18 ILE MD 1 28 ILE MG 3.300 . 6.300 2.673 2.520 2.884 . 0 0 "[ . 1 . 2]" 1
60 1 16 ILE MD 1 18 ILE MD 5.000 . 8.000 3.575 2.889 4.166 . 0 0 "[ . 1 . 2]" 1
61 1 18 ILE MD 1 67 ALA MB 2.700 . 5.700 2.595 2.415 2.876 . 0 0 "[ . 1 . 2]" 1
62 1 18 ILE MD 1 68 VAL HA 5.000 . 6.500 2.435 2.227 2.571 . 0 0 "[ . 1 . 2]" 1
63 1 18 ILE MD 1 68 VAL QG 2.700 . 6.600 2.079 1.917 2.202 . 0 0 "[ . 1 . 2]" 1
64 1 18 ILE MD 1 71 LEU QD 3.300 . 7.200 1.768 1.678 1.860 0.122 13 0 "[ . 1 . 2]" 1
65 1 18 ILE HG13 1 18 ILE MG 3.300 . 4.800 3.181 3.174 3.188 . 0 0 "[ . 1 . 2]" 1
66 1 18 ILE HG12 1 18 ILE MG 3.300 . 4.800 2.549 2.504 2.594 . 0 0 "[ . 1 . 2]" 1
67 1 18 ILE MG 1 28 ILE MG 3.300 2.400 6.300 3.246 3.095 3.410 . 0 0 "[ . 1 . 2]" 1
68 1 18 ILE MG 1 30 ILE HA 3.300 . 4.800 2.581 2.409 2.811 . 0 0 "[ . 1 . 2]" 1
69 1 18 ILE MG 1 30 ILE MD 3.300 . 6.300 3.443 1.770 4.200 0.030 9 0 "[ . 1 . 2]" 1
70 1 18 ILE MG 1 30 ILE MG 3.300 . 6.300 3.357 3.169 3.711 . 0 0 "[ . 1 . 2]" 1
71 1 18 ILE MG 1 71 LEU QD 3.300 2.400 7.200 2.448 2.120 2.649 0.280 13 0 "[ . 1 . 2]" 1
72 1 19 LYS QB 1 19 LYS QD 3.300 . 5.300 2.123 1.929 2.387 . 0 0 "[ . 1 . 2]" 1
73 1 20 GLY QA 1 26 MET QB 5.000 . 7.000 3.275 2.923 3.625 . 0 0 "[ . 1 . 2]" 1
74 1 20 GLY QA 1 26 MET ME 5.000 . 7.500 3.015 1.892 3.988 . 0 0 "[ . 1 . 2]" 1
75 1 21 GLY QA 1 28 ILE MD 5.000 . 7.500 4.070 3.925 4.210 . 0 0 "[ . 1 . 2]" 1
76 1 22 ARG HA 1 25 LYS HA 5.000 . 5.000 3.364 3.145 3.499 . 0 0 "[ . 1 . 2]" 1
77 1 22 ARG QG 1 63 THR HA 5.000 . 6.000 2.806 1.979 3.963 . 0 0 "[ . 1 . 2]" 1
78 1 22 ARG QG 1 63 THR MG 5.000 . 7.500 2.668 1.951 3.819 . 0 0 "[ . 1 . 2]" 1
79 1 25 LYS HA 1 25 LYS QG 2.700 . 3.700 2.505 2.138 3.157 . 0 0 "[ . 1 . 2]" 1
80 1 25 LYS QB 1 27 PRO QD 5.000 . 7.000 4.580 4.258 4.810 . 0 0 "[ . 1 . 2]" 1
81 1 26 MET HA 1 27 PRO QD 2.700 . 3.700 1.904 1.833 1.957 . 0 0 "[ . 1 . 2]" 1
82 1 26 MET ME 1 29 LEU QD 3.300 . 7.200 2.625 1.821 3.917 . 0 0 "[ . 1 . 2]" 1
83 1 27 PRO HA 1 28 ILE HA 5.000 . 5.000 4.321 4.309 4.337 . 0 0 "[ . 1 . 2]" 1
84 1 27 PRO QB 1 29 LEU QD 5.000 . 8.400 3.395 3.079 3.767 . 0 0 "[ . 1 . 2]" 1
85 1 27 PRO QD 1 29 LEU QD 5.000 . 8.400 3.084 2.712 3.354 . 0 0 "[ . 1 . 2]" 1
86 1 28 ILE HA 1 28 ILE MD 2.700 . 4.200 2.496 2.446 2.536 . 0 0 "[ . 1 . 2]" 1
87 1 28 ILE HA 1 28 ILE MG 3.300 . 4.800 2.298 2.220 2.353 . 0 0 "[ . 1 . 2]" 1
88 1 28 ILE MD 1 28 ILE MG 2.700 . 5.700 1.790 1.699 1.868 0.101 5 0 "[ . 1 . 2]" 1
89 1 28 ILE MD 1 62 ALA MB 3.300 . 6.300 4.022 3.978 4.092 . 0 0 "[ . 1 . 2]" 1
90 1 28 ILE MD 1 64 HIS HA 3.300 . 4.800 2.019 1.887 2.166 . 0 0 "[ . 1 . 2]" 1
91 1 28 ILE MD 1 67 ALA MB 2.700 . 5.700 1.771 1.733 1.814 0.067 14 0 "[ . 1 . 2]" 1
92 1 28 ILE HG13 1 62 ALA MB 5.000 . 6.500 4.359 4.150 4.517 . 0 0 "[ . 1 . 2]" 1
93 1 28 ILE HG12 1 62 ALA MB 5.000 . 6.500 5.149 4.984 5.256 . 0 0 "[ . 1 . 2]" 1
94 1 28 ILE MG 1 30 ILE HA 5.000 . 6.500 4.852 4.737 4.931 . 0 0 "[ . 1 . 2]" 1
95 1 28 ILE MG 1 50 ALA HA 5.000 . 6.500 5.052 4.867 5.198 . 0 0 "[ . 1 . 2]" 1
96 1 28 ILE MG 1 51 ILE HB 5.000 . 6.500 2.378 2.017 2.681 . 0 0 "[ . 1 . 2]" 1
97 1 28 ILE MG 1 67 ALA MB 3.300 . 6.300 2.104 1.893 2.431 . 0 0 "[ . 1 . 2]" 1
98 1 29 LEU HA 1 29 LEU QD 3.300 . 5.000 2.765 2.471 2.987 . 0 0 "[ . 1 . 2]" 1
99 1 29 LEU HA 1 50 ALA HA 2.700 . 2.700 2.328 2.051 2.563 . 0 0 "[ . 1 . 2]" 1
100 1 29 LEU QD 1 50 ALA HA 3.300 . 5.700 1.925 1.876 2.033 . 0 0 "[ . 1 . 2]" 1
101 1 29 LEU QD 1 50 ALA MB 2.700 . 6.600 1.838 1.738 1.978 0.062 9 0 "[ . 1 . 2]" 1
102 1 30 ILE HA 1 30 ILE MD 3.300 . 4.800 3.391 1.968 3.890 . 0 0 "[ . 1 . 2]" 1
103 1 30 ILE HA 1 30 ILE MG 3.300 . 4.800 2.392 2.269 2.528 . 0 0 "[ . 1 . 2]" 1
104 1 30 ILE HB 1 30 ILE MD 3.300 . 4.800 2.451 2.025 3.229 . 0 0 "[ . 1 . 2]" 1
105 1 30 ILE MD 1 30 ILE MG 2.700 . 5.700 2.300 1.867 3.233 . 0 0 "[ . 1 . 2]" 1
106 1 30 ILE MD 1 51 ILE MD 3.300 . 6.300 2.940 1.728 3.798 0.072 11 0 "[ . 1 . 2]" 1
107 1 30 ILE MG 1 33 ILE HA 5.000 . 6.500 3.693 3.443 3.895 . 0 0 "[ . 1 . 2]" 1
108 1 30 ILE MG 1 33 ILE MD 2.700 . 5.700 1.895 1.652 2.785 0.148 16 0 "[ . 1 . 2]" 1
109 1 30 ILE MG 1 33 ILE QG 3.300 . 5.800 2.120 1.796 2.526 0.004 11 0 "[ . 1 . 2]" 1
110 1 30 ILE MG 1 47 VAL HA 2.700 . 4.200 1.954 1.879 2.081 . 0 0 "[ . 1 . 2]" 1
111 1 30 ILE MG 1 47 VAL QG 3.300 . 7.200 2.478 2.027 3.157 . 0 0 "[ . 1 . 2]" 1
112 1 31 SER HA 1 47 VAL QG 2.700 . 5.100 2.167 1.826 2.813 . 0 0 "[ . 1 . 2]" 1
113 1 32 LYS HA 1 47 VAL QG 2.700 . 5.100 3.024 2.464 3.775 . 0 0 "[ . 1 . 2]" 1
114 1 33 ILE HA 1 33 ILE MG 2.700 . 4.200 2.383 2.209 2.551 . 0 0 "[ . 1 . 2]" 1
115 1 33 ILE HB 1 33 ILE MD 3.300 . 4.800 2.440 2.037 3.218 . 0 0 "[ . 1 . 2]" 1
116 1 33 ILE MD 1 33 ILE MG 2.700 . 5.700 2.455 1.751 2.925 0.049 20 0 "[ . 1 . 2]" 1
117 1 33 ILE MD 1 39 ALA MB 3.300 . 6.300 4.049 3.395 4.303 . 0 0 "[ . 1 . 2]" 1
118 1 33 ILE MD 1 45 LEU HA 5.000 . 6.500 4.158 3.444 5.003 . 0 0 "[ . 1 . 2]" 1
119 1 33 ILE MD 1 46 PHE HA 5.000 . 6.500 1.913 1.768 2.227 0.032 6 0 "[ . 1 . 2]" 1
120 1 33 ILE MD 1 47 VAL QG 2.700 . 6.600 2.790 1.851 3.865 . 0 0 "[ . 1 . 2]" 1
121 1 33 ILE MG 1 39 ALA MB 3.300 . 6.300 2.060 1.682 3.010 0.118 6 0 "[ . 1 . 2]" 1
122 1 33 ILE MG 1 40 ASP HA 3.300 . 4.800 3.653 3.331 4.019 . 0 0 "[ . 1 . 2]" 1
123 1 33 ILE MG 1 40 ASP QB 2.700 . 5.200 3.408 2.990 3.644 . 0 0 "[ . 1 . 2]" 1
124 1 34 PHE QB 1 45 LEU QD 5.000 . 8.400 5.274 5.102 5.463 . 0 0 "[ . 1 . 2]" 1
125 1 35 LYS HA 1 40 ASP QB 3.300 . 4.300 1.986 1.881 2.200 . 0 0 "[ . 1 . 2]" 1
126 1 36 GLY QA 1 37 LEU QD 5.000 . 8.400 4.046 3.340 4.527 . 0 0 "[ . 1 . 2]" 1
127 1 36 GLY QA 1 37 LEU HG 5.000 . 6.000 3.922 3.444 4.554 . 0 0 "[ . 1 . 2]" 1
128 1 39 ALA MB 1 45 LEU QD 2.700 . 6.600 1.873 1.735 2.195 0.065 18 0 "[ . 1 . 2]" 1
129 1 42 THR HA 1 42 THR HB 2.700 . 2.700 2.642 2.495 2.717 0.017 11 0 "[ . 1 . 2]" 1
130 1 42 THR HA 1 42 THR MG 2.700 . 4.200 2.156 2.036 2.366 . 0 0 "[ . 1 . 2]" 1
131 1 42 THR HA 1 44 ALA MB 5.000 . 6.500 4.419 4.275 4.571 . 0 0 "[ . 1 . 2]" 1
132 1 42 THR HB 1 44 ALA MB 2.700 . 4.200 2.668 2.402 2.937 . 0 0 "[ . 1 . 2]" 1
133 1 42 THR MG 1 44 ALA MB 5.000 . 8.000 3.842 3.580 4.017 . 0 0 "[ . 1 . 2]" 1
134 1 43 GLU HA 1 43 GLU QG 3.300 . 4.300 2.595 2.044 3.339 . 0 0 "[ . 1 . 2]" 1
135 1 45 LEU HA 1 45 LEU QD 2.700 . 4.400 3.412 3.338 3.451 . 0 0 "[ . 1 . 2]" 1
136 1 47 VAL HA 1 47 VAL QG 2.700 . 4.400 2.128 2.036 2.302 . 0 0 "[ . 1 . 2]" 1
137 1 49 ASP HA 1 84 TYR HA 2.700 . 2.700 2.403 2.078 2.708 0.008 12 0 "[ . 1 . 2]" 1
138 1 51 ILE HA 1 51 ILE MG 2.700 . 4.200 2.345 2.228 2.414 . 0 0 "[ . 1 . 2]" 1
139 1 51 ILE HA 1 82 VAL HA 5.000 . 5.000 2.183 1.988 2.414 . 0 0 "[ . 1 . 2]" 1
140 1 51 ILE HA 1 82 VAL QG 2.700 . 5.100 1.925 1.856 2.088 . 0 0 "[ . 1 . 2]" 1
141 1 51 ILE HB 1 51 ILE MD 3.300 . 4.800 2.214 2.109 2.356 . 0 0 "[ . 1 . 2]" 1
142 1 51 ILE MD 1 51 ILE MG 2.700 . 5.700 2.450 1.992 2.884 . 0 0 "[ . 1 . 2]" 1
143 1 51 ILE MD 1 82 VAL QG 3.300 . 7.200 3.139 3.013 3.264 . 0 0 "[ . 1 . 2]" 1
144 1 51 ILE MG 1 54 VAL QG 3.300 2.400 7.200 2.942 1.775 3.604 0.625 20 1 "[ . 1 . +]" 1
145 1 52 LEU HA 1 52 LEU QD 3.300 . 5.000 2.761 2.027 3.443 . 0 0 "[ . 1 . 2]" 1
146 1 53 SER HA 1 58 ASP HA 3.300 . 3.300 3.034 2.685 3.305 0.005 2 0 "[ . 1 . 2]" 1
147 1 53 SER QB 1 58 ASP HA 5.000 . 6.000 3.099 2.263 4.038 . 0 0 "[ . 1 . 2]" 1
148 1 54 VAL HA 1 54 VAL QG 2.700 . 4.400 2.207 2.049 2.335 . 0 0 "[ . 1 . 2]" 1
149 1 54 VAL HA 1 80 LEU HA 3.300 . 3.300 2.502 1.926 2.924 . 0 0 "[ . 1 . 2]" 1
150 1 54 VAL HB 1 71 LEU QD 3.300 . 5.700 3.547 3.112 4.029 . 0 0 "[ . 1 . 2]" 1
151 1 54 VAL QG 1 57 GLU QB 5.000 . 8.400 3.023 2.089 4.302 . 0 0 "[ . 1 . 2]" 1
152 1 54 VAL QG 1 71 LEU QD 3.300 2.400 8.100 1.970 1.706 2.492 0.694 1 12 "[+ **** **1* -*. * *]" 1
153 1 54 VAL QG 1 70 ALA MB 3.300 . 7.200 2.197 1.689 3.676 0.111 19 0 "[ . 1 . 2]" 1
154 1 54 VAL QG 1 74 THR MG 2.700 . 6.600 3.138 2.493 3.688 . 0 0 "[ . 1 . 2]" 1
155 1 55 ASN HA 1 79 VAL HB 3.300 . 3.300 2.403 1.982 3.266 . 0 0 "[ . 1 . 2]" 1
156 1 59 LEU HA 1 59 LEU QD 2.700 . 4.400 2.103 1.930 2.712 . 0 0 "[ . 1 . 2]" 1
157 1 59 LEU HA 1 62 ALA MB 3.300 . 4.800 2.210 1.978 2.518 . 0 0 "[ . 1 . 2]" 1
158 1 59 LEU QD 1 62 ALA MB 2.700 . 6.600 2.094 1.660 2.633 0.140 4 0 "[ . 1 . 2]" 1
159 1 59 LEU QD 1 67 ALA MB 3.300 . 7.200 1.805 1.687 1.968 0.113 18 0 "[ . 1 . 2]" 1
160 1 59 LEU QD 1 70 ALA MB 2.700 . 6.600 2.485 2.260 2.675 . 0 0 "[ . 1 . 2]" 1
161 1 62 ALA MB 1 67 ALA MB 3.300 . 6.300 3.498 2.886 3.744 . 0 0 "[ . 1 . 2]" 1
162 1 63 THR HA 1 63 THR HB 2.700 . 2.700 2.571 2.440 2.702 0.002 19 0 "[ . 1 . 2]" 1
163 1 63 THR HA 1 63 THR MG 2.700 . 4.200 2.272 2.050 2.408 . 0 0 "[ . 1 . 2]" 1
164 1 64 HIS HA 1 67 ALA MB 5.000 . 6.500 2.473 1.968 2.713 . 0 0 "[ . 1 . 2]" 1
165 1 65 ASP HA 1 68 VAL HB 3.300 . 3.300 2.810 2.680 2.983 . 0 0 "[ . 1 . 2]" 1
166 1 65 ASP HA 1 68 VAL QG 3.300 . 5.700 3.055 2.966 3.205 . 0 0 "[ . 1 . 2]" 1
167 1 66 GLU HA 1 69 GLN QB 5.000 . 6.000 2.501 2.124 3.397 . 0 0 "[ . 1 . 2]" 1
168 1 67 ALA HA 1 70 ALA MB 3.300 . 4.800 2.421 2.241 2.751 . 0 0 "[ . 1 . 2]" 1
169 1 68 VAL HA 1 68 VAL QG 2.700 . 4.400 2.124 2.081 2.175 . 0 0 "[ . 1 . 2]" 1
170 1 68 VAL HA 1 71 LEU QD 5.000 . 7.400 3.004 2.368 3.403 . 0 0 "[ . 1 . 2]" 1
171 1 68 VAL QG 1 69 GLN HA 5.000 . 7.400 3.728 3.598 3.864 . 0 0 "[ . 1 . 2]" 1
172 1 68 VAL QG 1 72 LYS QE 5.000 . 8.400 3.321 1.961 4.825 . 0 0 "[ . 1 . 2]" 1
173 1 69 GLN HA 1 72 LYS QB 5.000 . 6.000 2.653 2.241 3.901 . 0 0 "[ . 1 . 2]" 1
174 1 70 ALA MB 1 71 LEU HA 5.000 . 6.500 3.897 3.848 3.956 . 0 0 "[ . 1 . 2]" 1
175 1 71 LEU HA 1 71 LEU QD 2.700 . 4.400 2.110 1.949 2.631 . 0 0 "[ . 1 . 2]" 1
176 1 71 LEU HA 1 74 THR MG 3.300 . 4.800 2.804 1.979 3.924 . 0 0 "[ . 1 . 2]" 1
177 1 72 LYS QB 1 72 LYS QD 2.700 . 4.700 2.144 1.970 2.837 . 0 0 "[ . 1 . 2]" 1
178 1 73 LYS HA 1 73 LYS QG 3.300 . 4.300 2.650 2.066 3.385 . 0 0 "[ . 1 . 2]" 1
179 1 74 THR HA 1 74 THR MG 2.700 . 4.200 2.380 2.032 3.215 . 0 0 "[ . 1 . 2]" 1
180 1 74 THR HA 1 78 VAL QG 5.000 . 7.400 4.034 3.585 4.560 . 0 0 "[ . 1 . 2]" 1
181 1 74 THR HB 1 78 VAL QG 3.300 . 5.700 2.242 1.803 3.575 . 0 0 "[ . 1 . 2]" 1
182 1 74 THR MG 1 78 VAL QG 2.700 . 6.600 2.024 1.630 3.034 0.170 16 0 "[ . 1 . 2]" 1
183 1 78 VAL HA 1 78 VAL QG 2.700 . 4.400 2.077 2.001 2.132 . 0 0 "[ . 1 . 2]" 1
184 1 78 VAL QG 1 80 LEU QD 5.000 . 9.800 2.207 1.844 2.874 . 0 0 "[ . 1 . 2]" 1
185 1 79 VAL HA 1 79 VAL QG 2.700 . 4.400 2.121 2.040 2.173 . 0 0 "[ . 1 . 2]" 1
186 1 80 LEU HA 1 80 LEU QD 2.700 . 4.400 2.856 2.440 3.408 . 0 0 "[ . 1 . 2]" 1
187 1 80 LEU QB 1 80 LEU QD 2.700 . 6.100 1.792 1.721 1.872 0.079 17 0 "[ . 1 . 2]" 1
188 1 82 VAL HA 1 82 VAL QG 2.700 . 4.400 2.246 2.193 2.344 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLY QA 1 34 PHE QD 5.000 . 8.000 3.407 2.174 4.202 . 0 0 "[ . 1 . 2]" 1
190 1 16 ILE HA 1 34 PHE QD 3.300 . 5.300 2.591 1.991 3.388 . 0 0 "[ . 1 . 2]" 1
191 1 16 ILE HA 1 34 PHE QE 5.000 . 7.000 4.247 3.129 5.074 . 0 0 "[ . 1 . 2]" 1
192 1 18 ILE MD 1 64 HIS HD2 3.300 . 4.800 4.028 4.021 4.036 . 0 0 "[ . 1 . 2]" 1
193 1 18 ILE MD 1 64 HIS HE1 3.300 . 4.800 4.075 4.066 4.088 . 0 0 "[ . 1 . 2]" 1
194 1 18 ILE HG13 1 64 HIS HD2 5.000 . 5.000 3.336 3.324 3.350 . 0 0 "[ . 1 . 2]" 1
195 1 18 ILE HG12 1 64 HIS HD2 5.000 . 5.000 5.061 5.050 5.073 0.073 8 0 "[ . 1 . 2]" 1
196 1 18 ILE HG12 1 64 HIS HE1 3.300 . 3.300 3.326 3.308 3.337 0.037 11 0 "[ . 1 . 2]" 1
197 1 19 LYS HA 1 64 HIS HD2 2.700 . 2.700 2.895 2.890 2.903 0.203 9 0 "[ . 1 . 2]" 1
198 1 19 LYS HA 1 64 HIS HE1 2.700 . 2.700 2.899 2.895 2.905 0.205 9 0 "[ . 1 . 2]" 1
199 1 19 LYS QB 1 64 HIS HD2 5.000 . 6.000 4.664 4.503 4.771 . 0 0 "[ . 1 . 2]" 1
200 1 19 LYS QB 1 64 HIS HE1 5.000 . 6.000 4.244 3.829 4.610 . 0 0 "[ . 1 . 2]" 1
201 1 28 ILE MG 1 64 HIS HD2 5.000 . 6.500 2.397 2.178 2.649 . 0 0 "[ . 1 . 2]" 1
202 1 32 LYS QB 1 34 PHE QE 5.000 . 8.000 4.028 2.465 5.449 . 0 0 "[ . 1 . 2]" 1
203 1 32 LYS QD 1 34 PHE QD 5.000 . 8.000 4.309 3.149 5.134 . 0 0 "[ . 1 . 2]" 1
204 1 32 LYS QD 1 34 PHE QE 5.000 . 8.000 3.255 2.609 3.844 . 0 0 "[ . 1 . 2]" 1
205 1 32 LYS QD 1 34 PHE HZ 5.000 3.500 6.000 3.601 3.261 3.839 0.239 16 0 "[ . 1 . 2]" 1
206 1 32 LYS QE 1 34 PHE QD 5.000 . 8.000 5.223 3.538 6.346 . 0 0 "[ . 1 . 2]" 1
207 1 32 LYS QE 1 34 PHE QE 5.000 . 8.000 4.157 1.973 5.229 . 0 0 "[ . 1 . 2]" 1
208 1 32 LYS QE 1 34 PHE HZ 5.000 . 6.000 4.270 1.890 5.135 . 0 0 "[ . 1 . 2]" 1
209 1 32 LYS QG 1 34 PHE QD 5.000 . 8.000 4.583 3.580 5.387 . 0 0 "[ . 1 . 2]" 1
210 1 32 LYS QG 1 34 PHE QE 5.000 . 8.000 4.345 3.177 4.937 . 0 0 "[ . 1 . 2]" 1
211 1 32 LYS QG 1 34 PHE HZ 5.000 . 6.000 5.197 3.916 5.355 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE HB 1 46 PHE QD 5.000 . 7.000 4.604 4.334 5.305 . 0 0 "[ . 1 . 2]" 1
213 1 33 ILE MD 1 46 PHE QD 3.300 . 6.800 3.179 2.464 3.494 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE MD 1 46 PHE QE 5.000 3.500 8.500 4.883 4.041 5.057 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE MG 1 46 PHE QD 5.000 . 8.500 3.809 2.561 5.155 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE MG 1 46 PHE QE 5.000 . 8.500 4.750 3.911 5.519 . 0 0 "[ . 1 . 2]" 1
217 1 34 PHE HA 1 34 PHE QD 3.300 . 5.300 2.812 2.153 3.076 . 0 0 "[ . 1 . 2]" 1
218 1 34 PHE HA 1 34 PHE QE 5.000 . 7.000 4.451 4.169 4.589 . 0 0 "[ . 1 . 2]" 1
219 1 34 PHE QD 1 37 LEU QD 3.300 . 7.700 2.953 2.370 3.368 . 0 0 "[ . 1 . 2]" 1
220 1 34 PHE QE 1 37 LEU QD 5.000 . 9.400 4.280 3.842 4.652 . 0 0 "[ . 1 . 2]" 1
221 1 44 ALA HA 1 46 PHE QE 5.000 . 7.000 4.175 3.884 4.388 . 0 0 "[ . 1 . 2]" 1
222 1 44 ALA MB 1 46 PHE QE 5.000 . 8.500 5.151 4.945 5.315 . 0 0 "[ . 1 . 2]" 1
223 1 45 LEU HA 1 46 PHE QD 3.300 . 5.300 4.626 4.418 4.735 . 0 0 "[ . 1 . 2]" 1
224 1 45 LEU HA 1 46 PHE QE 5.000 . 7.000 5.443 5.021 5.954 . 0 0 "[ . 1 . 2]" 1
225 1 46 PHE HA 1 46 PHE QD 3.300 . 5.300 2.245 2.138 2.536 . 0 0 "[ . 1 . 2]" 1
226 1 46 PHE QB 1 46 PHE QD 2.700 . 5.700 2.164 2.126 2.179 . 0 0 "[ . 1 . 2]" 1
227 1 48 GLY QA 1 84 TYR QE 3.300 . 6.300 3.626 2.652 4.399 . 0 0 "[ . 1 . 2]" 1
228 1 49 ASP HA 1 84 TYR QD 3.300 . 5.300 3.748 2.563 4.491 . 0 0 "[ . 1 . 2]" 1
229 1 49 ASP HA 1 84 TYR QE 5.000 . 7.000 4.892 4.264 5.484 . 0 0 "[ . 1 . 2]" 1
230 1 64 HIS HA 1 64 HIS HD2 3.300 . 3.300 2.583 2.519 2.806 . 0 0 "[ . 1 . 2]" 1
231 1 64 HIS QB 1 64 HIS HD2 3.300 . 4.300 2.983 2.905 3.006 . 0 0 "[ . 1 . 2]" 1
232 1 64 HIS HE1 1 68 VAL QG 2.700 . 5.100 2.821 2.591 2.945 . 0 0 "[ . 1 . 2]" 1
233 1 84 TYR HA 1 84 TYR QD 2.700 . 4.700 2.688 2.025 3.099 . 0 0 "[ . 1 . 2]" 1
234 1 84 TYR HA 1 84 TYR QE 5.000 . 7.000 4.420 4.145 4.704 . 0 0 "[ . 1 . 2]" 1
235 1 84 TYR QB 1 84 TYR QD 2.700 . 5.700 2.153 2.136 2.193 . 0 0 "[ . 1 . 2]" 1
236 1 2 ARG H 1 2 ARG HA 2.900 . 2.900 2.886 2.834 2.938 0.038 10 0 "[ . 1 . 2]" 1
237 1 2 ARG HA 1 82 VAL H 5.900 . 5.900 5.049 4.710 5.189 . 0 0 "[ . 1 . 2]" 1
238 1 2 ARG H 1 2 ARG QB 3.300 . 3.900 3.204 2.425 3.375 . 0 0 "[ . 1 . 2]" 1
239 1 2 ARG QB 1 3 ARG H 3.300 . 4.300 2.635 2.271 2.985 . 0 0 "[ . 1 . 2]" 1
240 1 2 ARG QB 1 82 VAL H 5.900 . 6.900 4.696 3.054 5.434 . 0 0 "[ . 1 . 2]" 1
241 1 2 ARG H 1 2 ARG QD 5.000 . 6.000 3.918 2.327 4.958 . 0 0 "[ . 1 . 2]" 1
242 1 2 ARG H 1 2 ARG QG 3.300 . 4.300 2.558 2.123 3.573 . 0 0 "[ . 1 . 2]" 1
243 1 2 ARG QG 1 82 VAL H 5.000 . 6.000 3.612 2.720 5.142 . 0 0 "[ . 1 . 2]" 1
244 1 2 ARG H 1 3 ARG H 5.000 . 5.000 4.341 4.201 4.468 . 0 0 "[ . 1 . 2]" 1
245 1 2 ARG H 1 81 GLU HA 5.900 . 5.900 4.422 4.129 4.744 . 0 0 "[ . 1 . 2]" 1
246 1 2 ARG H 1 81 GLU QG 5.900 . 6.900 4.670 3.225 6.205 . 0 0 "[ . 1 . 2]" 1
247 1 2 ARG H 1 82 VAL QG 3.300 . 5.700 3.677 3.053 3.918 . 0 0 "[ . 1 . 2]" 1
248 1 2 ARG H 1 82 VAL H 3.300 . 3.300 3.305 3.239 3.322 0.022 10 0 "[ . 1 . 2]" 1
249 1 3 ARG HA 1 4 VAL H 2.900 . 2.900 2.157 2.131 2.220 . 0 0 "[ . 1 . 2]" 1
250 1 3 ARG HA 1 82 VAL H 3.300 . 3.300 3.273 3.038 3.336 0.036 10 0 "[ . 1 . 2]" 1
251 1 3 ARG H 1 3 ARG QB 2.900 . 3.500 2.815 2.394 3.102 . 0 0 "[ . 1 . 2]" 1
252 1 3 ARG QB 1 4 VAL H 3.300 . 4.300 3.258 2.870 3.627 . 0 0 "[ . 1 . 2]" 1
253 1 3 ARG H 1 3 ARG QD 5.000 . 6.000 2.230 1.917 3.408 . 0 0 "[ . 1 . 2]" 1
254 1 3 ARG QD 1 4 VAL H 5.900 . 6.900 5.085 4.061 5.375 . 0 0 "[ . 1 . 2]" 1
255 1 3 ARG QG 1 4 VAL H 5.000 . 6.000 4.224 3.630 4.792 . 0 0 "[ . 1 . 2]" 1
256 1 3 ARG H 1 4 VAL H 5.000 . 5.000 4.331 4.013 4.527 . 0 0 "[ . 1 . 2]" 1
257 1 3 ARG H 1 81 GLU HA 5.900 . 5.900 4.569 4.377 4.880 . 0 0 "[ . 1 . 2]" 1
258 1 3 ARG H 1 81 GLU QG 5.900 . 6.900 5.293 4.802 5.987 . 0 0 "[ . 1 . 2]" 1
259 1 3 ARG H 1 82 VAL H 5.900 . 5.900 5.005 4.580 5.170 . 0 0 "[ . 1 . 2]" 1
260 1 4 VAL HA 1 5 THR H 2.900 . 2.900 2.261 2.164 2.400 . 0 0 "[ . 1 . 2]" 1
261 1 4 VAL H 1 4 VAL HB 2.900 . 2.900 2.671 2.605 2.842 . 0 0 "[ . 1 . 2]" 1
262 1 4 VAL HB 1 5 THR H 5.000 . 5.000 4.194 3.282 4.426 . 0 0 "[ . 1 . 2]" 1
263 1 4 VAL HB 1 80 LEU H 3.300 . 3.300 3.256 2.848 3.334 0.034 8 0 "[ . 1 . 2]" 1
264 1 4 VAL QG 1 44 ALA H 5.000 . 7.400 3.613 2.957 3.909 . 0 0 "[ . 1 . 2]" 1
265 1 4 VAL QG 1 45 LEU H 5.000 . 7.400 4.143 3.519 4.435 . 0 0 "[ . 1 . 2]" 1
266 1 4 VAL H 1 4 VAL QG 2.900 . 4.600 2.289 2.001 2.597 . 0 0 "[ . 1 . 2]" 1
267 1 4 VAL QG 1 5 THR H 2.900 . 5.300 2.907 1.959 3.425 . 0 0 "[ . 1 . 2]" 1
268 1 4 VAL H 1 5 THR H 5.000 . 5.000 4.166 3.854 4.576 . 0 0 "[ . 1 . 2]" 1
269 1 4 VAL H 1 80 LEU QB 5.000 . 6.000 3.325 2.978 4.355 . 0 0 "[ . 1 . 2]" 1
270 1 4 VAL H 1 80 LEU H 3.300 . 3.300 3.156 2.588 3.313 0.013 3 0 "[ . 1 . 2]" 1
271 1 4 VAL H 1 81 GLU HA 3.300 . 3.300 3.230 3.043 3.318 0.018 19 0 "[ . 1 . 2]" 1
272 1 4 VAL H 1 81 GLU QG 5.000 . 6.000 4.900 4.152 5.291 . 0 0 "[ . 1 . 2]" 1
273 1 4 VAL H 1 81 GLU H 5.900 . 5.900 4.389 4.219 4.591 . 0 0 "[ . 1 . 2]" 1
274 1 5 THR HA 1 6 VAL H 2.900 . 2.900 2.163 2.138 2.231 . 0 0 "[ . 1 . 2]" 1
275 1 5 THR HA 1 79 VAL H 5.900 . 5.900 4.360 3.733 4.885 . 0 0 "[ . 1 . 2]" 1
276 1 5 THR HA 1 80 LEU H 3.300 . 3.300 3.270 3.071 3.336 0.036 3 0 "[ . 1 . 2]" 1
277 1 5 THR H 1 5 THR HB 2.900 . 2.900 2.669 2.485 2.877 . 0 0 "[ . 1 . 2]" 1
278 1 5 THR H 1 5 THR MG 3.300 . 4.800 3.714 2.094 3.968 . 0 0 "[ . 1 . 2]" 1
279 1 5 THR MG 1 6 VAL H 3.300 . 4.800 3.006 2.052 3.984 . 0 0 "[ . 1 . 2]" 1
280 1 5 THR MG 1 78 VAL H 5.000 . 6.500 3.205 2.455 5.386 . 0 0 "[ . 1 . 2]" 1
281 1 5 THR MG 1 7 ARG H 5.900 . 7.400 4.779 4.403 5.330 . 0 0 "[ . 1 . 2]" 1
282 1 5 THR H 1 42 THR MG 5.900 . 7.400 4.464 3.258 5.799 . 0 0 "[ . 1 . 2]" 1
283 1 5 THR H 1 44 ALA MB 5.900 . 7.400 4.810 3.933 5.722 . 0 0 "[ . 1 . 2]" 1
284 1 5 THR H 1 6 VAL H 5.000 . 5.000 4.331 4.069 4.534 . 0 0 "[ . 1 . 2]" 1
285 1 6 VAL HA 1 78 VAL H 5.900 . 5.900 4.703 4.449 5.112 . 0 0 "[ . 1 . 2]" 1
286 1 6 VAL HA 1 7 ARG H 2.900 . 2.900 2.194 2.146 2.262 . 0 0 "[ . 1 . 2]" 1
287 1 6 VAL H 1 6 VAL HB 3.300 . 3.300 2.744 2.621 3.146 . 0 0 "[ . 1 . 2]" 1
288 1 6 VAL HB 1 7 ARG H 5.000 . 5.000 3.993 3.779 4.148 . 0 0 "[ . 1 . 2]" 1
289 1 6 VAL H 1 6 VAL QG 2.900 . 4.600 2.392 1.954 2.657 . 0 0 "[ . 1 . 2]" 1
290 1 6 VAL QG 1 7 ARG H 3.300 . 5.700 2.317 1.962 2.662 . 0 0 "[ . 1 . 2]" 1
291 1 6 VAL QG 1 8 LYS H 5.000 . 7.400 4.377 3.656 4.849 . 0 0 "[ . 1 . 2]" 1
292 1 6 VAL H 1 42 THR MG 5.900 . 7.400 4.615 4.019 5.383 . 0 0 "[ . 1 . 2]" 1
293 1 6 VAL H 1 78 VAL HB 3.300 . 3.300 2.945 2.263 3.304 0.004 15 0 "[ . 1 . 2]" 1
294 1 6 VAL H 1 78 VAL H 3.300 . 3.300 2.812 2.302 3.305 0.005 7 0 "[ . 1 . 2]" 1
295 1 6 VAL H 1 7 ARG H 5.900 . 5.900 4.446 4.307 4.548 . 0 0 "[ . 1 . 2]" 1
296 1 6 VAL H 1 80 LEU HG 5.900 . 5.900 4.867 3.364 5.853 . 0 0 "[ . 1 . 2]" 1
297 1 7 ARG HA 1 8 LYS H 2.900 . 2.900 2.200 2.140 2.391 . 0 0 "[ . 1 . 2]" 1
298 1 7 ARG H 1 7 ARG QB 3.300 . 3.900 2.589 2.250 3.045 . 0 0 "[ . 1 . 2]" 1
299 1 7 ARG H 1 7 ARG QD 5.900 . 6.900 3.978 1.997 4.970 . 0 0 "[ . 1 . 2]" 1
300 1 7 ARG QD 1 8 LYS H 5.900 . 6.900 4.774 3.658 5.714 . 0 0 "[ . 1 . 2]" 1
301 1 7 ARG H 1 7 ARG QG 3.300 . 4.300 2.750 1.966 3.915 . 0 0 "[ . 1 . 2]" 1
302 1 7 ARG H 1 38 ALA MB 5.000 . 6.500 4.153 2.893 5.083 . 0 0 "[ . 1 . 2]" 1
303 1 7 ARG H 1 8 LYS H 5.000 . 5.000 4.436 4.247 4.582 . 0 0 "[ . 1 . 2]" 1
304 1 8 LYS H 1 8 LYS HA 2.900 . 2.900 2.885 2.789 2.940 0.040 15 0 "[ . 1 . 2]" 1
305 1 8 LYS HA 1 9 ALA H 2.900 . 2.900 2.380 2.141 2.903 0.003 10 0 "[ . 1 . 2]" 1
306 1 8 LYS H 1 8 LYS QB 2.900 . 3.500 2.482 2.047 3.149 . 0 0 "[ . 1 . 2]" 1
307 1 8 LYS QB 1 9 ALA H 3.300 . 4.300 3.098 1.908 3.896 . 0 0 "[ . 1 . 2]" 1
308 1 8 LYS H 1 8 LYS QD 3.300 . 4.300 3.388 2.239 3.914 . 0 0 "[ . 1 . 2]" 1
309 1 8 LYS H 1 8 LYS QE 5.900 . 6.900 4.264 1.949 5.280 . 0 0 "[ . 1 . 2]" 1
310 1 8 LYS H 1 8 LYS QG 3.300 . 4.300 2.686 1.984 3.804 . 0 0 "[ . 1 . 2]" 1
311 1 8 LYS QG 1 9 ALA H 5.900 . 6.900 4.005 2.651 4.819 . 0 0 "[ . 1 . 2]" 1
312 1 8 LYS H 1 77 GLU HA 5.000 . 5.000 4.336 3.497 4.890 . 0 0 "[ . 1 . 2]" 1
313 1 8 LYS H 1 77 GLU H 5.900 . 5.900 5.072 4.119 5.850 . 0 0 "[ . 1 . 2]" 1
314 1 8 LYS H 1 78 VAL H 5.900 . 5.900 5.237 4.558 5.903 0.003 2 0 "[ . 1 . 2]" 1
315 1 8 LYS H 1 9 ALA H 5.000 . 5.000 4.214 2.374 4.620 . 0 0 "[ . 1 . 2]" 1
316 1 9 ALA H 1 9 ALA MB 2.900 . 4.000 2.456 2.093 2.934 . 0 0 "[ . 1 . 2]" 1
317 1 14 LEU HA 1 38 ALA H 5.000 . 5.000 4.436 3.563 4.955 . 0 0 "[ . 1 . 2]" 1
318 1 14 LEU HA 1 39 ALA H 5.000 . 5.000 4.052 2.826 4.718 . 0 0 "[ . 1 . 2]" 1
319 1 14 LEU QB 1 16 ILE H 5.000 . 6.000 3.841 3.120 4.844 . 0 0 "[ . 1 . 2]" 1
320 1 15 GLY QA 1 16 ILE H 3.300 . 4.300 2.406 2.201 2.621 . 0 0 "[ . 1 . 2]" 1
321 1 15 GLY QA 1 34 PHE H 5.000 . 6.000 3.968 3.600 4.477 . 0 0 "[ . 1 . 2]" 1
322 1 15 GLY QA 1 38 ALA H 5.000 . 6.000 4.230 3.815 4.826 . 0 0 "[ . 1 . 2]" 1
323 1 15 GLY QA 1 39 ALA H 3.300 . 4.300 3.476 3.048 3.686 . 0 0 "[ . 1 . 2]" 1
324 1 15 GLY H 1 16 ILE H 5.000 . 5.000 3.014 2.256 4.013 . 0 0 "[ . 1 . 2]" 1
325 1 16 ILE HA 1 17 SER H 2.900 . 2.900 2.303 2.233 2.362 . 0 0 "[ . 1 . 2]" 1
326 1 16 ILE HA 1 32 LYS H 5.000 . 5.000 4.914 4.801 5.010 0.010 4 0 "[ . 1 . 2]" 1
327 1 16 ILE HA 1 34 PHE H 3.300 . 3.300 2.564 2.126 3.123 . 0 0 "[ . 1 . 2]" 1
328 1 16 ILE HB 1 17 SER H 2.900 . 2.900 2.656 2.468 2.897 . 0 0 "[ . 1 . 2]" 1
329 1 16 ILE HB 1 32 LYS H 5.000 . 5.000 4.426 4.004 4.865 . 0 0 "[ . 1 . 2]" 1
330 1 16 ILE HB 1 34 PHE H 5.900 . 5.900 4.467 4.024 5.081 . 0 0 "[ . 1 . 2]" 1
331 1 16 ILE H 1 16 ILE MD 5.000 . 6.500 3.736 2.085 4.206 . 0 0 "[ . 1 . 2]" 1
332 1 16 ILE MD 1 17 SER H 5.000 . 6.500 4.178 3.163 4.686 . 0 0 "[ . 1 . 2]" 1
333 1 16 ILE H 1 16 ILE QG 3.300 . 4.300 2.464 2.210 3.126 . 0 0 "[ . 1 . 2]" 1
334 1 16 ILE H 1 16 ILE MG 2.900 . 4.400 3.391 3.108 3.615 . 0 0 "[ . 1 . 2]" 1
335 1 16 ILE MG 1 17 SER H 5.000 . 6.500 3.583 3.341 3.836 . 0 0 "[ . 1 . 2]" 1
336 1 16 ILE MG 1 34 PHE H 5.000 . 6.500 2.353 1.959 2.869 . 0 0 "[ . 1 . 2]" 1
337 1 16 ILE H 1 17 SER HA 5.900 . 5.900 4.634 4.569 4.725 . 0 0 "[ . 1 . 2]" 1
338 1 16 ILE H 1 17 SER H 5.900 . 5.900 4.338 4.286 4.406 . 0 0 "[ . 1 . 2]" 1
339 1 16 ILE H 1 33 ILE HA 5.900 . 5.900 4.989 4.721 5.623 . 0 0 "[ . 1 . 2]" 1
340 1 16 ILE H 1 34 PHE H 5.900 . 5.900 4.602 4.138 5.091 . 0 0 "[ . 1 . 2]" 1
341 1 16 ILE H 1 39 ALA MB 5.000 . 6.500 4.135 3.787 4.392 . 0 0 "[ . 1 . 2]" 1
342 1 17 SER HA 1 18 ILE H 2.900 . 2.900 2.139 2.120 2.172 . 0 0 "[ . 1 . 2]" 1
343 1 17 SER HA 1 32 LYS H 5.900 . 5.900 4.705 4.615 4.782 . 0 0 "[ . 1 . 2]" 1
344 1 17 SER H 1 17 SER QB 3.300 . 3.900 2.464 2.349 2.800 . 0 0 "[ . 1 . 2]" 1
345 1 17 SER QB 1 18 ILE H 3.300 . 4.300 3.723 3.329 3.897 . 0 0 "[ . 1 . 2]" 1
346 1 17 SER QB 1 31 SER H 5.900 . 6.900 3.415 3.312 3.538 . 0 0 "[ . 1 . 2]" 1
347 1 17 SER QB 1 32 LYS H 3.300 . 4.300 2.723 2.454 2.935 . 0 0 "[ . 1 . 2]" 1
348 1 17 SER H 1 31 SER H 5.000 . 5.000 3.924 3.850 3.987 . 0 0 "[ . 1 . 2]" 1
349 1 17 SER H 1 32 LYS HA 5.000 . 5.000 4.418 4.266 4.529 . 0 0 "[ . 1 . 2]" 1
350 1 17 SER H 1 32 LYS H 2.900 . 2.900 2.925 2.908 2.937 0.037 6 0 "[ . 1 . 2]" 1
351 1 17 SER H 1 33 ILE HA 5.000 . 5.000 2.958 2.701 3.592 . 0 0 "[ . 1 . 2]" 1
352 1 17 SER H 1 34 PHE QD 5.900 . 7.900 3.855 3.097 4.880 . 0 0 "[ . 1 . 2]" 1
353 1 17 SER H 1 34 PHE H 5.900 . 5.900 4.390 3.859 4.912 . 0 0 "[ . 1 . 2]" 1
354 1 18 ILE HA 1 19 LYS H 2.900 . 2.900 2.482 2.476 2.493 . 0 0 "[ . 1 . 2]" 1
355 1 18 ILE HA 1 30 ILE H 5.900 . 5.900 4.590 4.426 4.675 . 0 0 "[ . 1 . 2]" 1
356 1 18 ILE HA 1 31 SER H 2.900 . 2.900 2.734 2.656 2.881 . 0 0 "[ . 1 . 2]" 1
357 1 18 ILE HA 1 32 LYS H 5.000 . 5.000 4.326 4.253 4.390 . 0 0 "[ . 1 . 2]" 1
358 1 18 ILE HB 1 19 LYS H 2.900 . 2.900 2.298 2.285 2.312 . 0 0 "[ . 1 . 2]" 1
359 1 18 ILE HB 1 29 LEU H 5.000 . 5.000 3.578 3.470 3.668 . 0 0 "[ . 1 . 2]" 1
360 1 18 ILE HB 1 31 SER H 5.900 . 5.900 5.079 4.972 5.208 . 0 0 "[ . 1 . 2]" 1
361 1 18 ILE H 1 18 ILE MD 5.000 . 6.500 3.450 3.365 3.575 . 0 0 "[ . 1 . 2]" 1
362 1 18 ILE MD 1 19 LYS H 5.000 . 6.500 4.322 4.288 4.357 . 0 0 "[ . 1 . 2]" 1
363 1 18 ILE MD 1 68 VAL H 3.300 . 4.800 3.457 3.361 3.618 . 0 0 "[ . 1 . 2]" 1
364 1 18 ILE H 1 18 ILE HG13 3.300 . 3.300 3.345 3.328 3.358 0.058 14 0 "[ . 1 . 2]" 1
365 1 18 ILE HG13 1 19 LYS H 5.000 . 5.000 3.359 3.325 3.403 . 0 0 "[ . 1 . 2]" 1
366 1 18 ILE HG13 1 68 VAL H 5.000 . 5.000 5.059 5.045 5.072 0.072 7 0 "[ . 1 . 2]" 1
367 1 18 ILE H 1 18 ILE HG12 3.300 . 3.300 1.956 1.920 2.014 . 0 0 "[ . 1 . 2]" 1
368 1 18 ILE HG12 1 19 LYS H 5.000 . 5.000 4.301 4.288 4.328 . 0 0 "[ . 1 . 2]" 1
369 1 18 ILE H 1 18 ILE MG 3.300 . 4.800 2.566 2.381 2.814 . 0 0 "[ . 1 . 2]" 1
370 1 18 ILE MG 1 19 LYS H 3.300 . 4.800 3.720 3.687 3.744 . 0 0 "[ . 1 . 2]" 1
371 1 18 ILE MG 1 31 SER H 5.000 . 6.500 3.826 3.504 4.058 . 0 0 "[ . 1 . 2]" 1
372 1 18 ILE H 1 19 LYS H 5.900 . 5.900 4.520 4.485 4.555 . 0 0 "[ . 1 . 2]" 1
373 1 18 ILE H 1 31 SER H 5.000 . 5.000 4.535 4.476 4.629 . 0 0 "[ . 1 . 2]" 1
374 1 19 LYS HA 1 20 GLY H 2.900 . 2.900 2.192 2.177 2.214 . 0 0 "[ . 1 . 2]" 1
375 1 19 LYS H 1 19 LYS QB 3.300 . 3.900 2.988 2.835 3.375 . 0 0 "[ . 1 . 2]" 1
376 1 19 LYS QB 1 20 GLY H 2.900 . 3.900 3.284 2.929 3.561 . 0 0 "[ . 1 . 2]" 1
377 1 19 LYS QD 1 20 GLY H 5.000 . 6.000 4.217 2.347 5.186 . 0 0 "[ . 1 . 2]" 1
378 1 19 LYS QG 1 20 GLY H 5.000 . 6.000 3.231 2.280 4.517 . 0 0 "[ . 1 . 2]" 1
379 1 19 LYS H 1 20 GLY H 5.000 . 5.000 4.185 4.156 4.207 . 0 0 "[ . 1 . 2]" 1
380 1 19 LYS H 1 28 ILE HA 5.900 . 5.900 4.163 4.035 4.330 . 0 0 "[ . 1 . 2]" 1
381 1 19 LYS H 1 28 ILE MG 5.000 . 6.500 2.982 2.708 3.225 . 0 0 "[ . 1 . 2]" 1
382 1 19 LYS H 1 29 LEU QB 3.300 . 4.300 3.745 3.696 3.797 . 0 0 "[ . 1 . 2]" 1
383 1 19 LYS H 1 29 LEU H 5.000 . 5.000 2.490 2.375 2.631 . 0 0 "[ . 1 . 2]" 1
384 1 19 LYS H 1 30 ILE HA 5.000 . 5.000 3.782 3.673 3.859 . 0 0 "[ . 1 . 2]" 1
385 1 19 LYS H 1 31 SER QB 5.000 . 6.000 4.379 4.037 5.026 . 0 0 "[ . 1 . 2]" 1
386 1 20 GLY QA 1 21 GLY H 2.900 . 3.900 2.267 2.258 2.274 . 0 0 "[ . 1 . 2]" 1
387 1 20 GLY QA 1 26 MET H 5.000 . 6.000 5.389 5.362 5.413 . 0 0 "[ . 1 . 2]" 1
388 1 20 GLY QA 1 28 ILE H 5.900 . 6.900 3.761 3.648 3.973 . 0 0 "[ . 1 . 2]" 1
389 1 20 GLY QA 1 29 LEU H 3.300 . 4.300 3.283 3.212 3.342 . 0 0 "[ . 1 . 2]" 1
390 1 20 GLY H 1 21 GLY H 5.000 . 5.000 4.378 4.374 4.385 . 0 0 "[ . 1 . 2]" 1
391 1 20 GLY H 1 24 ASN QD 5.900 . 6.900 6.051 5.860 6.163 . 0 0 "[ . 1 . 2]" 1
392 1 20 GLY H 1 26 MET QB 5.900 . 6.900 5.630 5.264 5.909 . 0 0 "[ . 1 . 2]" 1
393 1 20 GLY H 1 26 MET ME 5.900 . 7.400 4.764 3.346 5.848 . 0 0 "[ . 1 . 2]" 1
394 1 20 GLY H 1 28 ILE MD 5.900 . 7.400 3.447 3.301 3.582 . 0 0 "[ . 1 . 2]" 1
395 1 21 GLY QA 1 22 ARG H 2.900 . 3.900 2.251 2.205 2.297 . 0 0 "[ . 1 . 2]" 1
396 1 21 GLY QA 1 26 MET H 5.900 . 6.900 3.922 3.734 4.217 . 0 0 "[ . 1 . 2]" 1
397 1 21 GLY QA 1 64 HIS H 2.900 . 3.900 3.047 2.981 3.096 . 0 0 "[ . 1 . 2]" 1
398 1 21 GLY H 1 22 ARG H 5.000 . 5.000 3.395 3.254 3.504 . 0 0 "[ . 1 . 2]" 1
399 1 21 GLY H 1 26 MET QB 3.300 . 4.300 2.465 2.113 2.948 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLY H 1 26 MET ME 5.900 . 7.400 4.064 3.065 5.153 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLY H 1 26 MET QG 5.000 . 6.000 3.990 2.381 5.030 . 0 0 "[ . 1 . 2]" 1
402 1 21 GLY H 1 26 MET H 5.000 . 5.000 3.768 3.711 3.854 . 0 0 "[ . 1 . 2]" 1
403 1 21 GLY H 1 27 PRO HA 5.900 . 5.900 4.262 4.023 4.694 . 0 0 "[ . 1 . 2]" 1
404 1 21 GLY H 1 28 ILE HA 5.000 . 5.000 4.104 4.046 4.166 . 0 0 "[ . 1 . 2]" 1
405 1 21 GLY H 1 28 ILE MD 3.300 . 4.800 3.754 3.716 3.849 . 0 0 "[ . 1 . 2]" 1
406 1 21 GLY H 1 28 ILE H 5.900 . 5.900 4.699 4.555 4.964 . 0 0 "[ . 1 . 2]" 1
407 1 21 GLY H 1 29 LEU H 5.900 . 5.900 5.805 5.732 5.873 . 0 0 "[ . 1 . 2]" 1
408 1 21 GLY H 1 63 THR HA 5.900 . 5.900 5.345 5.048 5.612 . 0 0 "[ . 1 . 2]" 1
409 1 21 GLY H 1 64 HIS H 5.900 . 5.900 5.027 4.800 5.234 . 0 0 "[ . 1 . 2]" 1
410 1 22 ARG H 1 22 ARG HA 2.900 . 2.900 2.779 2.770 2.790 . 0 0 "[ . 1 . 2]" 1
411 1 22 ARG HA 1 24 ASN H 5.000 . 5.000 4.169 4.034 4.417 . 0 0 "[ . 1 . 2]" 1
412 1 22 ARG HA 1 25 LYS H 3.300 . 3.300 3.313 3.304 3.325 0.025 8 0 "[ . 1 . 2]" 1
413 1 22 ARG HA 1 26 MET H 2.900 . 2.900 2.907 2.844 2.924 0.024 6 0 "[ . 1 . 2]" 1
414 1 22 ARG H 1 22 ARG QB 2.900 . 3.500 2.366 2.045 2.592 . 0 0 "[ . 1 . 2]" 1
415 1 22 ARG QB 1 24 ASN H 5.900 . 6.900 4.994 4.639 5.357 . 0 0 "[ . 1 . 2]" 1
416 1 22 ARG H 1 22 ARG QD 5.900 . 6.900 4.255 3.882 4.669 . 0 0 "[ . 1 . 2]" 1
417 1 22 ARG QG 1 63 THR H 3.300 . 4.300 3.036 2.436 3.646 . 0 0 "[ . 1 . 2]" 1
418 1 22 ARG QG 1 64 HIS H 5.900 . 6.900 4.809 4.108 5.995 . 0 0 "[ . 1 . 2]" 1
419 1 22 ARG H 1 24 ASN H 5.900 . 5.900 4.358 4.199 4.705 . 0 0 "[ . 1 . 2]" 1
420 1 22 ARG H 1 26 MET H 5.900 . 5.900 4.444 4.323 4.605 . 0 0 "[ . 1 . 2]" 1
421 1 22 ARG H 1 28 ILE MD 5.000 . 6.500 4.153 3.721 4.359 . 0 0 "[ . 1 . 2]" 1
422 1 22 ARG H 1 63 THR HA 2.900 . 2.900 2.612 2.126 2.904 0.004 19 0 "[ . 1 . 2]" 1
423 1 22 ARG H 1 63 THR MG 3.300 . 4.800 3.387 2.693 3.800 . 0 0 "[ . 1 . 2]" 1
424 1 22 ARG H 1 64 HIS HA 5.900 . 5.900 5.461 5.012 5.719 . 0 0 "[ . 1 . 2]" 1
425 1 22 ARG H 1 64 HIS H 5.000 . 5.000 3.718 3.105 4.137 . 0 0 "[ . 1 . 2]" 1
426 1 23 GLU HA 1 24 ASN H 5.000 . 5.000 3.527 3.509 3.564 . 0 0 "[ . 1 . 2]" 1
427 1 23 GLU HA 1 25 LYS H 5.000 . 5.000 3.680 3.640 3.780 . 0 0 "[ . 1 . 2]" 1
428 1 23 GLU QB 1 24 ASN H 5.000 . 6.000 2.668 2.392 3.320 . 0 0 "[ . 1 . 2]" 1
429 1 23 GLU QG 1 24 ASN H 5.000 . 6.000 4.088 1.945 4.550 . 0 0 "[ . 1 . 2]" 1
430 1 24 ASN HA 1 25 LYS H 3.300 . 3.300 3.149 3.065 3.188 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASN H 1 24 ASN QB 2.900 . 3.500 2.679 2.576 2.942 . 0 0 "[ . 1 . 2]" 1
432 1 24 ASN QB 1 25 LYS H 5.000 . 6.000 3.721 3.546 4.012 . 0 0 "[ . 1 . 2]" 1
433 1 24 ASN QB 1 26 MET H 5.000 . 6.000 3.568 3.190 4.401 . 0 0 "[ . 1 . 2]" 1
434 1 24 ASN H 1 24 ASN QD 5.000 . 6.000 2.757 1.953 3.649 . 0 0 "[ . 1 . 2]" 1
435 1 24 ASN H 1 25 LYS HA 5.000 . 5.000 4.713 4.666 4.798 . 0 0 "[ . 1 . 2]" 1
436 1 24 ASN H 1 25 LYS H 2.900 . 2.900 2.566 2.499 2.698 . 0 0 "[ . 1 . 2]" 1
437 1 24 ASN H 1 26 MET H 3.300 . 3.300 3.350 3.330 3.362 0.062 3 0 "[ . 1 . 2]" 1
438 1 25 LYS H 1 25 LYS HA 2.900 . 2.900 2.269 2.261 2.274 . 0 0 "[ . 1 . 2]" 1
439 1 25 LYS HA 1 26 MET H 2.900 . 2.900 2.906 2.889 2.918 0.018 10 0 "[ . 1 . 2]" 1
440 1 25 LYS H 1 25 LYS QB 3.300 . 3.900 3.335 3.158 3.460 . 0 0 "[ . 1 . 2]" 1
441 1 25 LYS QB 1 26 MET H 3.300 . 4.300 3.806 3.787 3.820 . 0 0 "[ . 1 . 2]" 1
442 1 25 LYS H 1 25 LYS QG 2.900 . 3.900 2.927 2.591 3.279 . 0 0 "[ . 1 . 2]" 1
443 1 25 LYS QG 1 26 MET H 5.000 . 6.000 4.553 4.360 4.756 . 0 0 "[ . 1 . 2]" 1
444 1 25 LYS H 1 26 MET H 2.900 . 2.900 2.559 2.496 2.617 . 0 0 "[ . 1 . 2]" 1
445 1 26 MET H 1 26 MET HA 2.900 . 2.900 2.938 2.932 2.943 0.043 1 0 "[ . 1 . 2]" 1
446 1 26 MET H 1 26 MET QB 2.900 . 3.500 2.409 2.245 2.505 . 0 0 "[ . 1 . 2]" 1
447 1 26 MET H 1 27 PRO QD 5.900 . 6.900 4.122 4.022 4.220 . 0 0 "[ . 1 . 2]" 1
448 1 27 PRO HA 1 28 ILE H 2.900 . 2.900 2.257 2.208 2.329 . 0 0 "[ . 1 . 2]" 1
449 1 27 PRO QB 1 28 ILE H 2.900 . 3.900 2.960 2.769 3.120 . 0 0 "[ . 1 . 2]" 1
450 1 27 PRO QD 1 28 ILE H 5.900 . 6.900 4.974 4.921 5.017 . 0 0 "[ . 1 . 2]" 1
451 1 28 ILE HA 1 29 LEU H 2.900 . 2.900 2.198 2.172 2.230 . 0 0 "[ . 1 . 2]" 1
452 1 28 ILE H 1 28 ILE HB 2.900 . 2.900 2.617 2.599 2.631 . 0 0 "[ . 1 . 2]" 1
453 1 28 ILE HB 1 29 LEU H 5.900 . 5.900 3.926 3.853 3.989 . 0 0 "[ . 1 . 2]" 1
454 1 28 ILE HB 1 51 ILE H 5.000 3.500 5.000 3.685 3.575 3.767 . 0 0 "[ . 1 . 2]" 1
455 1 28 ILE H 1 28 ILE MD 3.300 . 4.800 3.410 3.383 3.451 . 0 0 "[ . 1 . 2]" 1
456 1 28 ILE MD 1 29 LEU H 3.300 . 4.800 3.892 3.743 3.914 . 0 0 "[ . 1 . 2]" 1
457 1 28 ILE MD 1 62 ALA H 5.000 . 6.500 4.858 4.752 4.981 . 0 0 "[ . 1 . 2]" 1
458 1 28 ILE MD 1 63 THR H 5.900 . 7.400 5.172 4.991 5.345 . 0 0 "[ . 1 . 2]" 1
459 1 28 ILE MD 1 64 HIS H 5.000 . 6.500 3.338 3.062 3.523 . 0 0 "[ . 1 . 2]" 1
460 1 28 ILE MD 1 65 ASP H 5.900 . 7.400 4.574 4.392 4.731 . 0 0 "[ . 1 . 2]" 1
461 1 28 ILE MD 1 67 ALA H 3.300 . 4.800 3.372 3.050 3.750 . 0 0 "[ . 1 . 2]" 1
462 1 28 ILE H 1 28 ILE HG13 2.900 . 2.900 3.044 3.022 3.057 0.157 16 0 "[ . 1 . 2]" 1
463 1 28 ILE HG13 1 29 LEU H 5.900 . 5.900 5.372 5.322 5.414 . 0 0 "[ . 1 . 2]" 1
464 1 28 ILE HG13 1 62 ALA H 5.900 . 5.900 5.345 5.061 5.648 . 0 0 "[ . 1 . 2]" 1
465 1 28 ILE H 1 28 ILE HG12 3.300 . 3.300 1.790 1.774 1.815 0.026 4 0 "[ . 1 . 2]" 1
466 1 28 ILE HG12 1 29 LEU H 5.900 . 5.900 4.804 4.782 4.824 . 0 0 "[ . 1 . 2]" 1
467 1 28 ILE H 1 28 ILE MG 3.300 . 4.800 3.737 3.734 3.740 . 0 0 "[ . 1 . 2]" 1
468 1 28 ILE MG 1 29 LEU H 3.300 . 4.800 2.300 2.184 2.444 . 0 0 "[ . 1 . 2]" 1
469 1 28 ILE MG 1 51 ILE H 3.300 . 4.800 3.645 3.502 3.767 . 0 0 "[ . 1 . 2]" 1
470 1 28 ILE H 1 29 LEU HG 5.900 . 5.900 4.568 4.487 4.621 . 0 0 "[ . 1 . 2]" 1
471 1 28 ILE H 1 29 LEU H 5.000 . 5.000 4.603 4.582 4.617 . 0 0 "[ . 1 . 2]" 1
472 1 28 ILE H 1 50 ALA HA 5.900 . 5.900 5.794 5.631 5.921 0.021 11 0 "[ . 1 . 2]" 1
473 1 28 ILE H 1 50 ALA MB 5.000 . 6.500 5.148 4.883 5.278 . 0 0 "[ . 1 . 2]" 1
474 1 28 ILE H 1 51 ILE H 5.000 . 5.000 4.989 4.900 5.012 0.012 10 0 "[ . 1 . 2]" 1
475 1 29 LEU HA 1 30 ILE H 2.900 . 2.900 2.431 2.252 2.447 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU HA 1 51 ILE H 3.300 . 3.300 2.250 2.132 2.731 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU H 1 29 LEU QB 3.300 . 3.900 2.739 2.703 2.780 . 0 0 "[ . 1 . 2]" 1
478 1 29 LEU QB 1 30 ILE H 5.000 . 6.000 2.228 2.196 2.692 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU QD 1 30 ILE H 3.300 . 5.700 3.325 3.093 3.553 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU QD 1 50 ALA H 5.000 . 7.400 3.258 2.890 3.666 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU QD 1 85 MET H 5.900 . 8.300 4.259 3.670 4.787 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU H 1 29 LEU HG 3.300 . 3.300 3.326 3.318 3.332 0.032 17 0 "[ . 1 . 2]" 1
483 1 29 LEU H 1 30 ILE H 5.900 . 5.900 4.421 4.382 4.429 . 0 0 "[ . 1 . 2]" 1
484 1 30 ILE HA 1 31 SER H 2.900 . 2.900 2.267 2.219 2.338 . 0 0 "[ . 1 . 2]" 1
485 1 30 ILE HA 1 32 LYS H 5.000 . 5.000 3.859 3.763 3.956 . 0 0 "[ . 1 . 2]" 1
486 1 30 ILE H 1 30 ILE HB 3.300 . 3.300 2.485 2.423 2.548 . 0 0 "[ . 1 . 2]" 1
487 1 30 ILE HB 1 31 SER H 5.900 . 5.900 4.016 3.773 4.153 . 0 0 "[ . 1 . 2]" 1
488 1 30 ILE HB 1 48 GLY H 5.000 . 5.000 2.451 2.140 2.783 . 0 0 "[ . 1 . 2]" 1
489 1 30 ILE HB 1 49 ASP H 3.300 . 3.300 2.639 2.507 2.781 . 0 0 "[ . 1 . 2]" 1
490 1 30 ILE H 1 30 ILE MD 5.000 . 6.500 3.321 2.002 3.982 . 0 0 "[ . 1 . 2]" 1
491 1 30 ILE MD 1 31 SER H 5.000 . 6.500 4.701 3.591 5.137 . 0 0 "[ . 1 . 2]" 1
492 1 30 ILE MD 1 49 ASP H 5.000 . 6.500 3.278 2.276 4.920 . 0 0 "[ . 1 . 2]" 1
493 1 30 ILE H 1 30 ILE QG 3.300 . 4.300 2.600 2.202 3.363 . 0 0 "[ . 1 . 2]" 1
494 1 30 ILE QG 1 31 SER H 5.900 . 6.900 4.157 3.938 4.621 . 0 0 "[ . 1 . 2]" 1
495 1 30 ILE QG 1 49 ASP H 5.900 . 6.900 3.778 2.853 4.357 . 0 0 "[ . 1 . 2]" 1
496 1 30 ILE H 1 30 ILE MG 3.300 . 4.800 3.779 3.746 3.805 . 0 0 "[ . 1 . 2]" 1
497 1 30 ILE MG 1 31 SER H 3.300 . 4.800 2.204 1.957 2.418 . 0 0 "[ . 1 . 2]" 1
498 1 30 ILE MG 1 32 LYS H 2.900 . 4.400 2.324 2.092 2.524 . 0 0 "[ . 1 . 2]" 1
499 1 30 ILE MG 1 47 VAL H 2.900 . 4.400 3.416 3.225 3.540 . 0 0 "[ . 1 . 2]" 1
500 1 30 ILE MG 1 48 GLY H 5.000 . 6.500 3.371 3.189 3.727 . 0 0 "[ . 1 . 2]" 1
501 1 30 ILE MG 1 49 ASP H 3.300 . 4.800 3.965 3.917 3.996 . 0 0 "[ . 1 . 2]" 1
502 1 30 ILE H 1 31 SER H 5.900 . 5.900 4.563 4.529 4.615 . 0 0 "[ . 1 . 2]" 1
503 1 30 ILE H 1 48 GLY QA 5.900 . 6.900 4.427 4.069 4.748 . 0 0 "[ . 1 . 2]" 1
504 1 30 ILE H 1 48 GLY H 5.000 . 5.000 3.405 3.000 3.732 . 0 0 "[ . 1 . 2]" 1
505 1 30 ILE H 1 49 ASP QB 5.900 . 6.900 4.013 3.515 5.018 . 0 0 "[ . 1 . 2]" 1
506 1 30 ILE H 1 49 ASP H 5.000 . 5.000 3.479 3.139 3.748 . 0 0 "[ . 1 . 2]" 1
507 1 30 ILE H 1 50 ALA HA 5.000 . 5.000 3.871 3.631 4.177 . 0 0 "[ . 1 . 2]" 1
508 1 30 ILE H 1 51 ILE HB 5.900 . 5.900 5.907 5.824 5.925 0.025 11 0 "[ . 1 . 2]" 1
509 1 31 SER HA 1 32 LYS H 3.300 . 3.300 3.376 3.320 3.417 0.117 18 0 "[ . 1 . 2]" 1
510 1 31 SER HA 1 48 GLY H 5.000 . 5.000 4.250 3.561 4.745 . 0 0 "[ . 1 . 2]" 1
511 1 31 SER H 1 31 SER QB 3.300 . 3.900 2.725 2.491 3.203 . 0 0 "[ . 1 . 2]" 1
512 1 31 SER QB 1 32 LYS H 5.000 . 6.000 3.418 3.099 3.823 . 0 0 "[ . 1 . 2]" 1
513 1 31 SER H 1 32 LYS H 2.900 . 2.900 1.885 1.796 1.969 0.004 19 0 "[ . 1 . 2]" 1
514 1 31 SER H 1 48 GLY H 5.900 . 5.900 5.146 4.762 5.476 . 0 0 "[ . 1 . 2]" 1
515 1 32 LYS H 1 32 LYS HA 2.900 . 2.900 2.826 2.804 2.866 . 0 0 "[ . 1 . 2]" 1
516 1 32 LYS HA 1 33 ILE H 2.900 . 2.900 2.224 2.188 2.251 . 0 0 "[ . 1 . 2]" 1
517 1 32 LYS H 1 32 LYS QB 3.300 . 3.900 2.933 2.858 2.969 . 0 0 "[ . 1 . 2]" 1
518 1 32 LYS QG 1 33 ILE H 3.300 . 4.300 3.566 3.348 3.823 . 0 0 "[ . 1 . 2]" 1
519 1 32 LYS H 1 33 ILE MD 5.000 . 6.500 4.114 3.700 4.879 . 0 0 "[ . 1 . 2]" 1
520 1 32 LYS H 1 33 ILE QG 5.000 . 6.000 3.707 3.383 3.864 . 0 0 "[ . 1 . 2]" 1
521 1 32 LYS H 1 33 ILE H 3.300 . 3.300 3.355 3.338 3.388 0.088 6 0 "[ . 1 . 2]" 1
522 1 32 LYS H 1 47 VAL QG 3.300 . 5.700 3.363 3.018 3.827 . 0 0 "[ . 1 . 2]" 1
523 1 33 ILE HA 1 34 PHE H 2.900 . 2.900 2.255 2.128 2.395 . 0 0 "[ . 1 . 2]" 1
524 1 33 ILE H 1 33 ILE HB 2.900 . 2.900 2.499 2.382 2.629 . 0 0 "[ . 1 . 2]" 1
525 1 33 ILE HB 1 34 PHE H 5.000 . 5.000 3.976 3.528 4.417 . 0 0 "[ . 1 . 2]" 1
526 1 33 ILE H 1 33 ILE MD 5.000 . 6.500 2.924 2.383 3.586 . 0 0 "[ . 1 . 2]" 1
527 1 33 ILE MD 1 34 PHE H 5.900 . 7.400 4.705 3.660 5.314 . 0 0 "[ . 1 . 2]" 1
528 1 33 ILE MD 1 45 LEU H 5.900 . 7.400 4.580 4.004 4.812 . 0 0 "[ . 1 . 2]" 1
529 1 33 ILE MD 1 46 PHE H 5.000 . 6.500 3.544 3.055 4.065 . 0 0 "[ . 1 . 2]" 1
530 1 33 ILE MD 1 47 VAL H 3.300 . 4.800 2.380 1.955 3.216 . 0 0 "[ . 1 . 2]" 1
531 1 33 ILE H 1 33 ILE QG 3.300 . 4.300 2.444 1.927 2.964 . 0 0 "[ . 1 . 2]" 1
532 1 33 ILE QG 1 34 PHE H 5.000 . 6.000 4.144 3.806 4.715 . 0 0 "[ . 1 . 2]" 1
533 1 33 ILE H 1 33 ILE MG 3.300 . 4.800 3.764 3.729 3.782 . 0 0 "[ . 1 . 2]" 1
534 1 33 ILE MG 1 34 PHE H 3.300 . 4.800 2.217 1.871 3.071 . 0 0 "[ . 1 . 2]" 1
535 1 33 ILE MG 1 40 ASP H 3.300 . 4.800 3.715 3.374 4.057 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE H 1 47 VAL QG 3.300 . 5.700 3.008 2.221 4.182 . 0 0 "[ . 1 . 2]" 1
537 1 34 PHE H 1 34 PHE HA 2.900 . 2.900 2.910 2.833 2.939 0.039 12 0 "[ . 1 . 2]" 1
538 1 34 PHE HA 1 35 LYS H 5.000 . 5.000 2.298 2.142 2.476 . 0 0 "[ . 1 . 2]" 1
539 1 34 PHE H 1 34 PHE QB 2.900 . 3.500 2.283 2.143 2.418 . 0 0 "[ . 1 . 2]" 1
540 1 34 PHE H 1 34 PHE QD 3.300 . 5.300 2.898 2.157 3.886 . 0 0 "[ . 1 . 2]" 1
541 1 34 PHE H 1 34 PHE QE 5.900 . 7.900 5.036 4.326 5.719 . 0 0 "[ . 1 . 2]" 1
542 1 34 PHE H 1 39 ALA MB 5.000 . 6.500 2.996 2.417 3.726 . 0 0 "[ . 1 . 2]" 1
543 1 36 GLY QA 1 37 LEU H 5.000 . 6.000 2.827 2.607 2.925 . 0 0 "[ . 1 . 2]" 1
544 1 36 GLY H 1 37 LEU H 5.900 . 5.900 2.755 2.364 3.420 . 0 0 "[ . 1 . 2]" 1
545 1 37 LEU H 1 37 LEU QB 3.300 . 3.900 2.476 2.156 2.834 . 0 0 "[ . 1 . 2]" 1
546 1 37 LEU QB 1 38 ALA H 2.900 . 3.900 2.010 1.929 2.187 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU H 1 37 LEU QD 3.300 . 5.000 3.249 2.248 3.689 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU QD 1 38 ALA H 3.300 . 5.700 3.012 2.365 3.673 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU H 1 37 LEU HG 3.300 . 3.300 3.070 2.661 3.309 0.009 12 0 "[ . 1 . 2]" 1
550 1 37 LEU HG 1 38 ALA H 5.000 . 5.000 4.463 4.041 4.731 . 0 0 "[ . 1 . 2]" 1
551 1 37 LEU H 1 38 ALA H 5.000 . 5.000 4.454 4.357 4.563 . 0 0 "[ . 1 . 2]" 1
552 1 37 LEU H 1 40 ASP QB 3.300 . 4.300 3.019 2.421 3.761 . 0 0 "[ . 1 . 2]" 1
553 1 37 LEU H 1 40 ASP H 5.900 . 5.900 3.422 2.983 4.080 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU H 1 41 GLN H 5.900 . 5.900 4.565 4.084 5.277 . 0 0 "[ . 1 . 2]" 1
555 1 38 ALA HA 1 41 GLN H 3.300 . 3.300 3.270 3.095 3.313 0.013 14 0 "[ . 1 . 2]" 1
556 1 38 ALA H 1 38 ALA MB 2.900 . 4.000 2.109 2.039 2.223 . 0 0 "[ . 1 . 2]" 1
557 1 38 ALA H 1 39 ALA H 3.300 . 3.300 2.770 2.711 2.846 . 0 0 "[ . 1 . 2]" 1
558 1 38 ALA H 1 40 ASP H 5.900 . 5.900 4.724 4.411 5.102 . 0 0 "[ . 1 . 2]" 1
559 1 39 ALA H 1 39 ALA HA 2.900 . 2.900 2.778 2.752 2.811 . 0 0 "[ . 1 . 2]" 1
560 1 39 ALA HA 1 40 ASP H 5.000 . 5.000 3.566 3.541 3.575 . 0 0 "[ . 1 . 2]" 1
561 1 39 ALA HA 1 42 THR H 5.000 . 5.000 4.014 3.808 4.179 . 0 0 "[ . 1 . 2]" 1
562 1 39 ALA H 1 39 ALA MB 2.900 . 4.000 2.159 2.054 2.238 . 0 0 "[ . 1 . 2]" 1
563 1 39 ALA MB 1 40 ASP H 3.300 . 4.800 2.281 2.122 2.515 . 0 0 "[ . 1 . 2]" 1
564 1 39 ALA MB 1 41 GLN H 5.000 . 6.500 4.034 3.882 4.207 . 0 0 "[ . 1 . 2]" 1
565 1 39 ALA H 1 40 ASP H 3.300 . 3.300 2.915 2.771 3.069 . 0 0 "[ . 1 . 2]" 1
566 1 39 ALA H 1 41 GLN H 5.000 . 5.000 3.704 3.620 3.803 . 0 0 "[ . 1 . 2]" 1
567 1 40 ASP HA 1 41 GLN H 3.300 . 3.300 3.349 3.343 3.368 0.068 13 0 "[ . 1 . 2]" 1
568 1 40 ASP HA 1 43 GLU H 5.900 . 5.900 3.227 3.088 3.354 . 0 0 "[ . 1 . 2]" 1
569 1 40 ASP H 1 40 ASP QB 2.900 . 3.500 2.217 2.073 2.315 . 0 0 "[ . 1 . 2]" 1
570 1 40 ASP QB 1 41 GLN H 2.900 . 3.900 3.233 3.158 3.264 . 0 0 "[ . 1 . 2]" 1
571 1 40 ASP H 1 41 GLN H 3.300 . 3.300 2.494 2.344 2.548 . 0 0 "[ . 1 . 2]" 1
572 1 40 ASP H 1 42 THR H 5.900 . 5.900 4.459 4.303 4.581 . 0 0 "[ . 1 . 2]" 1
573 1 41 GLN H 1 41 GLN QB 2.900 . 3.500 2.143 2.076 2.240 . 0 0 "[ . 1 . 2]" 1
574 1 41 GLN QB 1 42 THR H 5.000 . 6.000 2.687 2.505 2.896 . 0 0 "[ . 1 . 2]" 1
575 1 41 GLN H 1 41 GLN QG 3.300 . 4.300 3.534 2.685 3.911 . 0 0 "[ . 1 . 2]" 1
576 1 41 GLN H 1 42 THR MG 5.000 . 6.500 4.768 4.231 5.017 . 0 0 "[ . 1 . 2]" 1
577 1 41 GLN H 1 42 THR H 3.300 . 3.300 2.503 2.386 2.609 . 0 0 "[ . 1 . 2]" 1
578 1 42 THR HA 1 43 GLU H 3.300 . 3.300 3.375 3.338 3.412 0.112 2 0 "[ . 1 . 2]" 1
579 1 42 THR HB 1 43 GLU H 5.900 . 5.900 3.842 3.677 4.076 . 0 0 "[ . 1 . 2]" 1
580 1 42 THR HB 1 44 ALA H 3.300 . 3.300 3.192 2.792 3.306 0.006 12 0 "[ . 1 . 2]" 1
581 1 42 THR H 1 42 THR MG 3.300 . 4.800 2.941 2.384 3.230 . 0 0 "[ . 1 . 2]" 1
582 1 42 THR MG 1 43 GLU H 5.000 . 6.500 4.307 4.136 4.417 . 0 0 "[ . 1 . 2]" 1
583 1 42 THR MG 1 44 ALA H 5.000 . 6.500 4.573 4.343 4.750 . 0 0 "[ . 1 . 2]" 1
584 1 42 THR H 1 43 GLU H 3.300 . 3.300 2.378 2.149 2.547 . 0 0 "[ . 1 . 2]" 1
585 1 43 GLU H 1 43 GLU HA 2.900 . 2.900 2.287 2.282 2.291 . 0 0 "[ . 1 . 2]" 1
586 1 43 GLU HA 1 44 ALA H 3.300 . 3.300 2.823 2.693 2.950 . 0 0 "[ . 1 . 2]" 1
587 1 43 GLU H 1 43 GLU QB 2.900 . 3.500 2.844 2.790 2.991 . 0 0 "[ . 1 . 2]" 1
588 1 43 GLU QB 1 44 ALA H 5.000 . 6.000 3.911 3.766 4.053 . 0 0 "[ . 1 . 2]" 1
589 1 43 GLU H 1 44 ALA MB 5.900 . 7.400 4.534 4.468 4.595 . 0 0 "[ . 1 . 2]" 1
590 1 43 GLU H 1 44 ALA H 3.300 . 3.300 2.903 2.817 3.001 . 0 0 "[ . 1 . 2]" 1
591 1 44 ALA HA 1 45 LEU H 3.300 . 3.300 2.691 2.539 2.942 . 0 0 "[ . 1 . 2]" 1
592 1 44 ALA H 1 44 ALA MB 2.900 . 4.000 2.582 2.419 2.749 . 0 0 "[ . 1 . 2]" 1
593 1 44 ALA MB 1 45 LEU H 3.300 . 4.800 3.703 3.624 3.723 . 0 0 "[ . 1 . 2]" 1
594 1 44 ALA H 1 45 LEU QD 5.900 . 8.300 2.874 2.232 3.305 . 0 0 "[ . 1 . 2]" 1
595 1 44 ALA H 1 45 LEU H 2.900 . 2.900 2.760 2.287 2.904 0.004 6 0 "[ . 1 . 2]" 1
596 1 45 LEU HA 1 46 PHE H 2.900 . 2.900 2.227 2.146 2.429 . 0 0 "[ . 1 . 2]" 1
597 1 45 LEU H 1 45 LEU QB 3.300 . 3.900 3.355 3.187 3.435 . 0 0 "[ . 1 . 2]" 1
598 1 45 LEU QB 1 46 PHE H 3.300 . 4.300 3.676 3.461 3.892 . 0 0 "[ . 1 . 2]" 1
599 1 45 LEU QD 1 46 PHE H 5.000 . 7.400 4.239 3.890 4.501 . 0 0 "[ . 1 . 2]" 1
600 1 45 LEU H 1 45 LEU HG 3.300 . 3.300 2.704 2.498 2.922 . 0 0 "[ . 1 . 2]" 1
601 1 45 LEU HG 1 46 PHE H 5.900 . 5.900 4.820 4.565 5.227 . 0 0 "[ . 1 . 2]" 1
602 1 45 LEU H 1 46 PHE H 5.900 . 5.900 3.414 2.836 3.715 . 0 0 "[ . 1 . 2]" 1
603 1 46 PHE H 1 46 PHE QB 3.300 . 3.900 2.633 2.414 2.827 . 0 0 "[ . 1 . 2]" 1
604 1 46 PHE QB 1 47 VAL H 3.300 . 4.300 2.561 2.317 2.768 . 0 0 "[ . 1 . 2]" 1
605 1 46 PHE QB 1 49 ASP H 5.900 . 6.900 4.987 4.734 5.409 . 0 0 "[ . 1 . 2]" 1
606 1 46 PHE H 1 46 PHE QD 3.300 . 5.300 3.324 2.776 3.467 . 0 0 "[ . 1 . 2]" 1
607 1 46 PHE QD 1 47 VAL H 5.000 . 7.000 3.986 3.634 4.168 . 0 0 "[ . 1 . 2]" 1
608 1 46 PHE H 1 46 PHE QE 5.000 . 7.000 4.712 4.500 4.774 . 0 0 "[ . 1 . 2]" 1
609 1 46 PHE QE 1 47 VAL H 5.900 . 7.900 6.169 5.876 6.352 . 0 0 "[ . 1 . 2]" 1
610 1 46 PHE H 1 46 PHE HZ 5.900 . 5.900 5.928 5.909 5.954 0.054 11 0 "[ . 1 . 2]" 1
611 1 46 PHE H 1 47 VAL H 5.900 . 5.900 4.514 4.430 4.597 . 0 0 "[ . 1 . 2]" 1
612 1 46 PHE H 1 49 ASP QB 5.900 . 6.900 3.826 3.229 4.302 . 0 0 "[ . 1 . 2]" 1
613 1 46 PHE H 1 49 ASP H 5.000 . 5.000 4.940 4.672 5.013 0.013 10 0 "[ . 1 . 2]" 1
614 1 47 VAL HA 1 48 GLY H 3.300 . 3.300 2.197 2.141 2.342 . 0 0 "[ . 1 . 2]" 1
615 1 47 VAL H 1 47 VAL HB 2.900 . 2.900 2.625 2.461 2.757 . 0 0 "[ . 1 . 2]" 1
616 1 47 VAL HB 1 48 GLY H 5.000 . 5.000 4.028 3.630 4.248 . 0 0 "[ . 1 . 2]" 1
617 1 47 VAL H 1 47 VAL QG 2.900 . 4.600 2.051 1.920 2.290 . 0 0 "[ . 1 . 2]" 1
618 1 47 VAL QG 1 48 GLY H 3.300 . 5.700 2.293 1.898 2.841 . 0 0 "[ . 1 . 2]" 1
619 1 48 GLY QA 1 49 ASP H 3.300 . 4.300 2.919 2.899 2.936 . 0 0 "[ . 1 . 2]" 1
620 1 48 GLY H 1 49 ASP QB 5.900 . 6.900 4.232 3.818 4.768 . 0 0 "[ . 1 . 2]" 1
621 1 48 GLY H 1 49 ASP H 3.300 . 3.300 2.297 1.997 2.646 . 0 0 "[ . 1 . 2]" 1
622 1 49 ASP HA 1 50 ALA H 2.900 . 2.900 2.190 2.137 2.305 . 0 0 "[ . 1 . 2]" 1
623 1 49 ASP HA 1 85 MET H 3.300 . 3.300 3.266 2.987 3.320 0.020 10 0 "[ . 1 . 2]" 1
624 1 49 ASP H 1 49 ASP QB 2.900 . 3.500 2.251 2.073 2.870 . 0 0 "[ . 1 . 2]" 1
625 1 49 ASP QB 1 50 ALA H 5.000 . 6.000 3.200 2.757 3.587 . 0 0 "[ . 1 . 2]" 1
626 1 49 ASP H 1 50 ALA H 5.900 . 5.900 4.534 4.396 4.620 . 0 0 "[ . 1 . 2]" 1
627 1 49 ASP H 1 84 TYR HA 5.900 . 5.900 4.939 4.511 5.475 . 0 0 "[ . 1 . 2]" 1
628 1 49 ASP H 1 84 TYR QD 5.000 . 7.000 4.918 3.511 5.827 . 0 0 "[ . 1 . 2]" 1
629 1 49 ASP H 1 84 TYR QE 5.900 . 7.900 4.915 4.067 5.745 . 0 0 "[ . 1 . 2]" 1
630 1 49 ASP H 1 86 LYS H 5.900 . 5.900 5.854 5.668 5.911 0.011 4 0 "[ . 1 . 2]" 1
631 1 50 ALA HA 1 51 ILE H 2.900 . 2.900 2.157 2.139 2.186 . 0 0 "[ . 1 . 2]" 1
632 1 50 ALA H 1 50 ALA MB 2.900 . 4.000 2.297 2.154 2.419 . 0 0 "[ . 1 . 2]" 1
633 1 50 ALA MB 1 51 ILE H 3.300 . 4.800 3.393 3.289 3.473 . 0 0 "[ . 1 . 2]" 1
634 1 50 ALA MB 1 85 MET H 5.000 . 6.500 3.573 3.101 4.241 . 0 0 "[ . 1 . 2]" 1
635 1 50 ALA H 1 51 ILE H 5.000 . 5.000 4.278 4.174 4.418 . 0 0 "[ . 1 . 2]" 1
636 1 50 ALA H 1 82 VAL HA 5.900 . 5.900 4.653 4.306 5.169 . 0 0 "[ . 1 . 2]" 1
637 1 50 ALA H 1 82 VAL HB 5.000 . 5.000 3.350 2.924 3.922 . 0 0 "[ . 1 . 2]" 1
638 1 50 ALA H 1 82 VAL QG 5.000 . 7.400 3.926 3.643 4.189 . 0 0 "[ . 1 . 2]" 1
639 1 50 ALA H 1 83 LYS QB 5.000 . 6.000 3.827 3.376 4.387 . 0 0 "[ . 1 . 2]" 1
640 1 50 ALA H 1 83 LYS H 3.300 . 3.300 2.671 2.232 3.271 . 0 0 "[ . 1 . 2]" 1
641 1 50 ALA H 1 84 TYR HA 3.300 . 3.300 3.294 3.170 3.321 0.021 17 0 "[ . 1 . 2]" 1
642 1 50 ALA H 1 85 MET QB 5.000 . 6.000 4.211 3.306 5.207 . 0 0 "[ . 1 . 2]" 1
643 1 50 ALA H 1 85 MET H 5.000 . 5.000 3.378 2.839 3.965 . 0 0 "[ . 1 . 2]" 1
644 1 51 ILE HA 1 52 LEU H 2.900 . 2.900 2.182 2.144 2.266 . 0 0 "[ . 1 . 2]" 1
645 1 51 ILE H 1 51 ILE HB 2.900 . 2.900 2.580 2.532 2.637 . 0 0 "[ . 1 . 2]" 1
646 1 51 ILE HB 1 52 LEU H 5.000 . 5.000 4.338 4.166 4.463 . 0 0 "[ . 1 . 2]" 1
647 1 51 ILE HB 1 53 SER H 5.000 . 5.000 4.810 4.612 4.986 . 0 0 "[ . 1 . 2]" 1
648 1 51 ILE H 1 51 ILE MD 3.300 . 4.800 3.034 2.331 3.485 . 0 0 "[ . 1 . 2]" 1
649 1 51 ILE H 1 51 ILE QG 3.300 . 4.300 2.115 1.950 2.403 . 0 0 "[ . 1 . 2]" 1
650 1 51 ILE QG 1 52 LEU H 5.900 . 6.900 4.358 4.236 4.434 . 0 0 "[ . 1 . 2]" 1
651 1 51 ILE MG 1 52 LEU H 3.300 . 4.800 3.008 2.451 3.378 . 0 0 "[ . 1 . 2]" 1
652 1 51 ILE MG 1 53 SER H 5.000 . 6.500 2.510 2.177 2.761 . 0 0 "[ . 1 . 2]" 1
653 1 51 ILE MG 1 59 LEU H 5.000 . 6.500 4.901 4.602 5.290 . 0 0 "[ . 1 . 2]" 1
654 1 51 ILE H 1 52 LEU H 5.000 . 5.000 4.339 4.112 4.537 . 0 0 "[ . 1 . 2]" 1
655 1 51 ILE H 1 82 VAL HA 5.900 . 5.900 4.436 4.140 4.779 . 0 0 "[ . 1 . 2]" 1
656 1 51 ILE H 1 82 VAL QG 3.300 . 5.700 3.364 3.143 3.765 . 0 0 "[ . 1 . 2]" 1
657 1 52 LEU HA 1 53 SER H 3.300 . 3.300 3.374 3.334 3.435 0.135 7 0 "[ . 1 . 2]" 1
658 1 52 LEU HA 1 59 LEU H 5.900 . 5.900 4.157 3.858 4.654 . 0 0 "[ . 1 . 2]" 1
659 1 52 LEU H 1 52 LEU QB 3.300 . 3.900 2.540 2.157 3.098 . 0 0 "[ . 1 . 2]" 1
660 1 52 LEU QB 1 53 SER H 3.300 . 4.300 3.336 2.897 3.810 . 0 0 "[ . 1 . 2]" 1
661 1 52 LEU QD 1 53 SER H 3.300 . 5.700 3.900 2.374 4.353 . 0 0 "[ . 1 . 2]" 1
662 1 52 LEU QD 1 60 SER H 5.000 . 7.400 4.876 4.287 5.285 . 0 0 "[ . 1 . 2]" 1
663 1 52 LEU H 1 52 LEU HG 3.300 . 3.300 2.752 1.981 3.306 0.006 13 0 "[ . 1 . 2]" 1
664 1 52 LEU H 1 53 SER HA 5.900 . 5.900 4.852 4.712 5.139 . 0 0 "[ . 1 . 2]" 1
665 1 52 LEU H 1 53 SER H 2.900 . 2.900 2.157 1.991 2.523 . 0 0 "[ . 1 . 2]" 1
666 1 52 LEU H 1 81 GLU QG 5.000 . 6.000 4.366 3.528 5.311 . 0 0 "[ . 1 . 2]" 1
667 1 52 LEU H 1 81 GLU H 5.900 . 5.900 5.360 4.364 5.904 0.004 20 0 "[ . 1 . 2]" 1
668 1 52 LEU H 1 82 VAL HA 3.300 . 3.300 2.404 2.184 2.617 . 0 0 "[ . 1 . 2]" 1
669 1 52 LEU H 1 82 VAL QG 5.000 . 7.400 3.360 3.093 3.568 . 0 0 "[ . 1 . 2]" 1
670 1 52 LEU H 1 83 LYS H 5.900 . 5.900 3.954 3.494 4.380 . 0 0 "[ . 1 . 2]" 1
671 1 53 SER HA 1 54 VAL H 2.900 . 2.900 2.281 2.191 2.391 . 0 0 "[ . 1 . 2]" 1
672 1 53 SER HA 1 57 GLU H 5.000 . 5.000 4.121 3.839 4.362 . 0 0 "[ . 1 . 2]" 1
673 1 53 SER HA 1 58 ASP H 5.900 . 5.900 4.936 4.645 5.275 . 0 0 "[ . 1 . 2]" 1
674 1 53 SER HA 1 59 LEU H 2.900 . 2.900 2.281 2.063 2.671 . 0 0 "[ . 1 . 2]" 1
675 1 53 SER HA 1 60 SER H 5.000 . 5.000 4.766 4.537 5.007 0.007 5 0 "[ . 1 . 2]" 1
676 1 53 SER QB 1 54 VAL H 2.900 . 3.900 2.766 2.411 3.137 . 0 0 "[ . 1 . 2]" 1
677 1 53 SER QB 1 56 GLY H 5.900 . 6.900 3.768 3.443 4.193 . 0 0 "[ . 1 . 2]" 1
678 1 53 SER QB 1 57 GLU H 3.300 . 4.300 3.243 2.805 3.516 . 0 0 "[ . 1 . 2]" 1
679 1 53 SER QB 1 59 LEU H 5.000 . 6.000 3.677 2.892 4.340 . 0 0 "[ . 1 . 2]" 1
680 1 53 SER QB 1 81 GLU H 5.900 . 6.900 3.780 3.060 4.657 . 0 0 "[ . 1 . 2]" 1
681 1 53 SER H 1 54 VAL H 5.000 . 5.000 4.309 4.226 4.380 . 0 0 "[ . 1 . 2]" 1
682 1 53 SER H 1 58 ASP HA 5.900 . 5.900 5.363 5.069 5.667 . 0 0 "[ . 1 . 2]" 1
683 1 53 SER H 1 59 LEU H 5.900 . 5.900 4.351 4.089 4.807 . 0 0 "[ . 1 . 2]" 1
684 1 53 SER H 1 81 GLU QB 3.300 . 4.300 2.913 2.322 3.428 . 0 0 "[ . 1 . 2]" 1
685 1 53 SER H 1 81 GLU QG 3.300 . 4.300 3.598 3.180 3.892 . 0 0 "[ . 1 . 2]" 1
686 1 53 SER H 1 82 VAL HA 5.000 . 5.000 3.896 3.604 4.189 . 0 0 "[ . 1 . 2]" 1
687 1 54 VAL HA 1 55 ASN H 2.900 . 2.900 2.174 2.146 2.275 . 0 0 "[ . 1 . 2]" 1
688 1 54 VAL H 1 54 VAL HB 3.300 . 3.300 3.196 2.928 3.330 0.030 5 0 "[ . 1 . 2]" 1
689 1 54 VAL HB 1 55 ASN H 5.000 . 5.000 4.145 3.966 4.310 . 0 0 "[ . 1 . 2]" 1
690 1 54 VAL HB 1 57 GLU H 5.900 . 5.900 5.051 4.200 5.523 . 0 0 "[ . 1 . 2]" 1
691 1 54 VAL H 1 54 VAL QG 2.900 . 4.600 2.390 2.039 2.885 . 0 0 "[ . 1 . 2]" 1
692 1 54 VAL QG 1 55 ASN H 2.900 . 5.300 2.403 1.948 2.648 . 0 0 "[ . 1 . 2]" 1
693 1 54 VAL QG 1 56 GLY H 5.000 . 7.400 4.080 3.907 4.340 . 0 0 "[ . 1 . 2]" 1
694 1 54 VAL QG 1 57 GLU H 3.300 . 5.700 3.735 3.245 4.339 . 0 0 "[ . 1 . 2]" 1
695 1 54 VAL H 1 55 ASN H 5.000 . 5.000 4.227 4.099 4.354 . 0 0 "[ . 1 . 2]" 1
696 1 54 VAL H 1 56 GLY H 5.000 . 5.000 3.748 3.506 3.972 . 0 0 "[ . 1 . 2]" 1
697 1 54 VAL H 1 57 GLU QB 3.300 . 4.300 3.113 2.750 3.539 . 0 0 "[ . 1 . 2]" 1
698 1 54 VAL H 1 58 ASP HA 5.000 . 5.000 4.369 4.095 4.529 . 0 0 "[ . 1 . 2]" 1
699 1 54 VAL H 1 59 LEU H 5.000 . 5.000 4.031 3.698 4.256 . 0 0 "[ . 1 . 2]" 1
700 1 55 ASN H 1 55 ASN HA 2.900 . 2.900 2.277 2.273 2.288 . 0 0 "[ . 1 . 2]" 1
701 1 55 ASN HA 1 56 GLY H 3.300 . 3.300 2.948 2.880 3.005 . 0 0 "[ . 1 . 2]" 1
702 1 55 ASN HA 1 79 VAL H 5.000 . 5.000 2.686 2.078 3.194 . 0 0 "[ . 1 . 2]" 1
703 1 55 ASN QB 1 56 GLY H 5.900 . 6.900 3.810 3.729 4.047 . 0 0 "[ . 1 . 2]" 1
704 1 55 ASN QB 1 57 GLU H 5.000 . 6.000 4.169 3.849 5.109 . 0 0 "[ . 1 . 2]" 1
705 1 55 ASN H 1 56 GLY H 3.300 . 3.300 2.733 2.665 2.885 . 0 0 "[ . 1 . 2]" 1
706 1 55 ASN H 1 57 GLU H 5.000 . 5.000 4.261 4.050 4.650 . 0 0 "[ . 1 . 2]" 1
707 1 55 ASN H 1 79 VAL HB 3.300 . 3.300 2.713 2.337 3.302 0.002 14 0 "[ . 1 . 2]" 1
708 1 55 ASN H 1 79 VAL QG 5.000 . 7.400 3.444 3.155 3.797 . 0 0 "[ . 1 . 2]" 1
709 1 55 ASN H 1 79 VAL H 3.300 . 3.300 3.212 2.840 3.320 0.020 5 0 "[ . 1 . 2]" 1
710 1 55 ASN H 1 80 LEU HA 5.000 . 5.000 3.453 3.018 3.737 . 0 0 "[ . 1 . 2]" 1
711 1 55 ASN H 1 80 LEU H 5.900 . 5.900 4.519 4.239 4.735 . 0 0 "[ . 1 . 2]" 1
712 1 56 GLY QA 1 57 GLU H 3.300 . 4.300 2.785 2.634 2.857 . 0 0 "[ . 1 . 2]" 1
713 1 56 GLY H 1 57 GLU H 3.300 . 3.300 2.465 2.371 2.692 . 0 0 "[ . 1 . 2]" 1
714 1 56 GLY H 1 79 VAL HB 5.000 . 5.000 3.294 2.863 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 57 GLU H 1 57 GLU HA 2.900 . 2.900 2.933 2.910 2.941 0.041 17 0 "[ . 1 . 2]" 1
716 1 57 GLU HA 1 58 ASP H 2.900 . 2.900 2.181 2.138 2.336 . 0 0 "[ . 1 . 2]" 1
717 1 57 GLU H 1 57 GLU QB 2.900 . 3.500 2.543 2.368 2.738 . 0 0 "[ . 1 . 2]" 1
718 1 57 GLU QB 1 58 ASP H 3.300 . 4.300 3.196 2.732 3.665 . 0 0 "[ . 1 . 2]" 1
719 1 57 GLU H 1 57 GLU QG 3.300 . 4.300 3.356 2.806 3.910 . 0 0 "[ . 1 . 2]" 1
720 1 57 GLU QG 1 58 ASP H 5.000 . 6.000 3.971 2.460 4.604 . 0 0 "[ . 1 . 2]" 1
721 1 57 GLU H 1 58 ASP H 5.000 . 5.000 4.300 4.082 4.506 . 0 0 "[ . 1 . 2]" 1
722 1 58 ASP H 1 58 ASP HA 2.900 . 2.900 2.843 2.800 2.928 0.028 1 0 "[ . 1 . 2]" 1
723 1 58 ASP HA 1 59 LEU H 2.900 . 2.900 2.150 2.135 2.174 . 0 0 "[ . 1 . 2]" 1
724 1 58 ASP HA 1 60 SER H 3.300 . 3.300 3.326 3.305 3.350 0.050 5 0 "[ . 1 . 2]" 1
725 1 58 ASP H 1 58 ASP QB 2.900 . 3.500 2.364 2.094 2.644 . 0 0 "[ . 1 . 2]" 1
726 1 58 ASP QB 1 59 LEU H 5.000 . 6.000 3.629 3.486 3.896 . 0 0 "[ . 1 . 2]" 1
727 1 58 ASP QB 1 60 SER H 5.000 . 6.000 2.961 2.683 3.511 . 0 0 "[ . 1 . 2]" 1
728 1 58 ASP H 1 59 LEU QD 5.900 . 8.300 5.017 4.553 5.891 . 0 0 "[ . 1 . 2]" 1
729 1 59 LEU H 1 59 LEU QB 3.300 . 3.900 2.139 2.095 2.221 . 0 0 "[ . 1 . 2]" 1
730 1 59 LEU QB 1 60 SER H 5.000 . 6.000 3.471 3.220 3.611 . 0 0 "[ . 1 . 2]" 1
731 1 59 LEU QB 1 62 ALA H 5.000 . 6.000 4.764 4.287 5.145 . 0 0 "[ . 1 . 2]" 1
732 1 59 LEU QD 1 60 SER H 5.000 . 7.400 4.397 4.285 4.564 . 0 0 "[ . 1 . 2]" 1
733 1 59 LEU QD 1 62 ALA H 5.000 . 7.400 4.347 3.407 4.660 . 0 0 "[ . 1 . 2]" 1
734 1 59 LEU QD 1 63 THR H 5.900 . 8.300 5.537 4.629 5.915 . 0 0 "[ . 1 . 2]" 1
735 1 59 LEU QD 1 67 ALA H 5.000 . 7.400 3.581 2.882 4.029 . 0 0 "[ . 1 . 2]" 1
736 1 59 LEU QD 1 70 ALA H 3.300 . 5.700 4.145 4.070 4.222 . 0 0 "[ . 1 . 2]" 1
737 1 59 LEU H 1 59 LEU HG 5.000 . 5.000 4.475 3.401 4.635 . 0 0 "[ . 1 . 2]" 1
738 1 59 LEU HG 1 60 SER H 5.900 . 5.900 5.191 5.059 5.319 . 0 0 "[ . 1 . 2]" 1
739 1 59 LEU HG 1 62 ALA H 5.900 . 5.900 4.524 3.944 5.904 0.004 4 0 "[ . 1 . 2]" 1
740 1 59 LEU H 1 60 SER QB 5.900 . 6.900 4.554 4.187 4.989 . 0 0 "[ . 1 . 2]" 1
741 1 59 LEU H 1 60 SER H 2.900 . 2.900 2.561 2.501 2.612 . 0 0 "[ . 1 . 2]" 1
742 1 60 SER H 1 60 SER HA 2.900 . 2.900 2.807 2.778 2.856 . 0 0 "[ . 1 . 2]" 1
743 1 60 SER HA 1 61 SER H 5.000 . 5.000 3.413 3.349 3.442 . 0 0 "[ . 1 . 2]" 1
744 1 60 SER HA 1 62 ALA H 5.000 . 5.000 4.341 4.121 4.473 . 0 0 "[ . 1 . 2]" 1
745 1 60 SER H 1 60 SER QB 2.900 . 3.500 2.419 2.104 2.800 . 0 0 "[ . 1 . 2]" 1
746 1 60 SER QB 1 61 SER H 5.000 . 6.000 3.228 2.959 3.645 . 0 0 "[ . 1 . 2]" 1
747 1 60 SER QB 1 62 ALA H 5.000 . 6.000 5.199 4.939 5.351 . 0 0 "[ . 1 . 2]" 1
748 1 60 SER H 1 61 SER QB 5.900 . 6.900 4.775 4.550 5.220 . 0 0 "[ . 1 . 2]" 1
749 1 60 SER H 1 61 SER H 3.300 . 3.300 2.653 2.548 2.727 . 0 0 "[ . 1 . 2]" 1
750 1 60 SER H 1 62 ALA MB 5.000 . 6.500 4.553 4.420 4.641 . 0 0 "[ . 1 . 2]" 1
751 1 60 SER H 1 62 ALA H 5.000 . 5.000 4.908 4.788 5.010 0.010 1 0 "[ . 1 . 2]" 1
752 1 61 SER H 1 61 SER HA 2.900 . 2.900 2.926 2.916 2.935 0.035 10 0 "[ . 1 . 2]" 1
753 1 61 SER QB 1 62 ALA H 3.300 . 4.300 3.909 3.897 3.936 . 0 0 "[ . 1 . 2]" 1
754 1 61 SER H 1 62 ALA MB 5.900 . 7.400 3.303 3.214 3.417 . 0 0 "[ . 1 . 2]" 1
755 1 61 SER H 1 62 ALA H 2.900 . 2.900 2.938 2.928 2.953 0.053 5 0 "[ . 1 . 2]" 1
756 1 62 ALA H 1 62 ALA HA 2.900 . 2.900 2.892 2.869 2.913 0.013 9 0 "[ . 1 . 2]" 1
757 1 62 ALA HA 1 63 THR H 2.900 . 2.900 2.204 2.176 2.244 . 0 0 "[ . 1 . 2]" 1
758 1 62 ALA H 1 62 ALA MB 2.900 . 4.000 2.669 2.575 2.754 . 0 0 "[ . 1 . 2]" 1
759 1 62 ALA MB 1 63 THR H 3.300 . 4.800 3.537 3.499 3.587 . 0 0 "[ . 1 . 2]" 1
760 1 62 ALA MB 1 66 GLU H 5.000 . 6.500 3.923 3.807 4.500 . 0 0 "[ . 1 . 2]" 1
761 1 62 ALA MB 1 67 ALA H 3.300 . 4.800 3.617 3.457 3.722 . 0 0 "[ . 1 . 2]" 1
762 1 62 ALA H 1 63 THR H 3.500 . 3.500 3.595 3.581 3.609 0.109 18 0 "[ . 1 . 2]" 1
763 1 62 ALA H 1 66 GLU QB 5.900 . 6.900 4.504 4.397 5.644 . 0 0 "[ . 1 . 2]" 1
764 1 63 THR HA 1 64 HIS H 2.900 . 2.900 2.394 2.271 2.449 . 0 0 "[ . 1 . 2]" 1
765 1 63 THR HA 1 65 ASP H 5.000 . 5.000 4.134 4.035 4.165 . 0 0 "[ . 1 . 2]" 1
766 1 63 THR HA 1 66 GLU H 5.900 . 5.900 4.497 4.442 4.581 . 0 0 "[ . 1 . 2]" 1
767 1 63 THR HB 1 64 HIS H 3.300 . 3.300 2.520 2.369 2.805 . 0 0 "[ . 1 . 2]" 1
768 1 63 THR HB 1 65 ASP H 5.000 . 5.000 2.683 2.436 2.979 . 0 0 "[ . 1 . 2]" 1
769 1 63 THR H 1 63 THR MG 2.900 . 4.400 2.366 2.054 2.793 . 0 0 "[ . 1 . 2]" 1
770 1 63 THR MG 1 64 HIS H 3.300 . 4.800 3.496 3.099 3.825 . 0 0 "[ . 1 . 2]" 1
771 1 63 THR H 1 64 HIS H 5.900 . 5.900 4.662 4.638 4.667 . 0 0 "[ . 1 . 2]" 1
772 1 63 THR H 1 66 GLU H 5.000 . 5.000 4.200 4.060 4.418 . 0 0 "[ . 1 . 2]" 1
773 1 63 THR H 1 67 ALA H 5.900 . 5.900 5.479 5.191 5.658 . 0 0 "[ . 1 . 2]" 1
774 1 64 HIS HA 1 65 ASP H 3.300 . 3.300 3.435 3.430 3.440 0.140 6 0 "[ . 1 . 2]" 1
775 1 64 HIS HA 1 67 ALA H 3.300 . 3.300 3.214 3.165 3.252 . 0 0 "[ . 1 . 2]" 1
776 1 64 HIS HA 1 68 VAL H 5.000 . 5.000 3.847 3.564 3.938 . 0 0 "[ . 1 . 2]" 1
777 1 64 HIS H 1 64 HIS QB 2.900 . 3.500 2.186 2.168 2.211 . 0 0 "[ . 1 . 2]" 1
778 1 64 HIS QB 1 65 ASP H 2.900 . 3.900 2.894 2.872 2.923 . 0 0 "[ . 1 . 2]" 1
779 1 64 HIS H 1 65 ASP QB 5.900 . 6.900 4.761 4.559 5.178 . 0 0 "[ . 1 . 2]" 1
780 1 64 HIS H 1 65 ASP H 3.300 . 3.300 2.850 2.828 2.872 . 0 0 "[ . 1 . 2]" 1
781 1 64 HIS H 1 66 GLU H 5.900 . 5.900 4.270 4.218 4.410 . 0 0 "[ . 1 . 2]" 1
782 1 64 HIS H 1 67 ALA H 5.900 . 5.900 4.842 4.596 4.933 . 0 0 "[ . 1 . 2]" 1
783 1 65 ASP H 1 65 ASP HA 2.900 . 2.900 2.849 2.838 2.858 . 0 0 "[ . 1 . 2]" 1
784 1 65 ASP HA 1 66 GLU H 3.300 . 3.300 3.425 3.407 3.460 0.160 9 0 "[ . 1 . 2]" 1
785 1 65 ASP HA 1 67 ALA H 5.000 . 5.000 4.030 3.972 4.133 . 0 0 "[ . 1 . 2]" 1
786 1 65 ASP HA 1 68 VAL H 3.300 . 3.300 3.386 3.372 3.422 0.122 9 0 "[ . 1 . 2]" 1
787 1 65 ASP HA 1 69 GLN H 5.000 . 5.000 3.833 3.726 3.945 . 0 0 "[ . 1 . 2]" 1
788 1 65 ASP H 1 65 ASP QB 2.900 . 3.500 2.298 2.115 2.705 . 0 0 "[ . 1 . 2]" 1
789 1 65 ASP QB 1 66 GLU H 3.300 . 4.300 2.964 2.688 3.549 . 0 0 "[ . 1 . 2]" 1
790 1 65 ASP H 1 66 GLU H 2.900 . 2.900 2.454 2.411 2.499 . 0 0 "[ . 1 . 2]" 1
791 1 65 ASP H 1 67 ALA H 5.000 . 5.000 3.813 3.533 3.946 . 0 0 "[ . 1 . 2]" 1
792 1 65 ASP H 1 68 VAL HB 5.900 . 5.900 5.301 5.160 5.386 . 0 0 "[ . 1 . 2]" 1
793 1 65 ASP H 1 68 VAL QG 5.900 . 8.300 4.373 4.317 4.443 . 0 0 "[ . 1 . 2]" 1
794 1 65 ASP H 1 68 VAL H 5.900 . 5.900 4.604 4.449 4.663 . 0 0 "[ . 1 . 2]" 1
795 1 66 GLU H 1 66 GLU HA 2.900 . 2.900 2.880 2.872 2.886 . 0 0 "[ . 1 . 2]" 1
796 1 66 GLU HA 1 67 ALA H 3.300 . 3.300 3.415 3.397 3.432 0.132 15 0 "[ . 1 . 2]" 1
797 1 66 GLU HA 1 68 VAL H 5.000 . 5.000 4.435 4.307 4.526 . 0 0 "[ . 1 . 2]" 1
798 1 66 GLU HA 1 69 GLN H 3.300 . 3.300 3.349 3.322 3.376 0.076 7 0 "[ . 1 . 2]" 1
799 1 66 GLU HA 1 70 ALA H 5.000 . 5.000 3.881 3.746 3.975 . 0 0 "[ . 1 . 2]" 1
800 1 66 GLU H 1 66 GLU QB 2.900 . 3.500 2.264 2.108 2.426 . 0 0 "[ . 1 . 2]" 1
801 1 66 GLU QB 1 67 ALA H 3.300 . 4.300 2.926 2.859 3.191 . 0 0 "[ . 1 . 2]" 1
802 1 66 GLU H 1 66 GLU QG 2.900 . 3.900 2.998 2.417 3.547 . 0 0 "[ . 1 . 2]" 1
803 1 66 GLU QG 1 67 ALA H 5.900 . 6.900 4.303 3.216 4.605 . 0 0 "[ . 1 . 2]" 1
804 1 66 GLU H 1 67 ALA H 2.900 . 2.900 2.279 2.247 2.324 . 0 0 "[ . 1 . 2]" 1
805 1 66 GLU H 1 68 VAL H 5.000 . 5.000 3.889 3.783 4.019 . 0 0 "[ . 1 . 2]" 1
806 1 67 ALA H 1 67 ALA HA 2.900 . 2.900 2.871 2.858 2.880 . 0 0 "[ . 1 . 2]" 1
807 1 67 ALA HA 1 68 VAL H 3.300 . 3.300 3.481 3.463 3.502 0.202 9 0 "[ . 1 . 2]" 1
808 1 67 ALA HA 1 70 ALA H 3.300 . 3.300 3.317 3.301 3.338 0.038 1 0 "[ . 1 . 2]" 1
809 1 67 ALA H 1 67 ALA MB 2.900 . 4.000 2.255 2.166 2.292 . 0 0 "[ . 1 . 2]" 1
810 1 67 ALA MB 1 68 VAL H 2.900 . 4.400 2.511 2.428 2.629 . 0 0 "[ . 1 . 2]" 1
811 1 67 ALA H 1 68 VAL QG 5.900 . 8.300 3.783 3.723 3.966 . 0 0 "[ . 1 . 2]" 1
812 1 67 ALA H 1 68 VAL H 2.900 . 2.900 2.349 2.286 2.439 . 0 0 "[ . 1 . 2]" 1
813 1 68 VAL H 1 68 VAL HA 2.900 . 2.900 2.849 2.836 2.864 . 0 0 "[ . 1 . 2]" 1
814 1 68 VAL HA 1 69 GLN H 3.300 . 3.300 3.445 3.426 3.465 0.165 7 0 "[ . 1 . 2]" 1
815 1 68 VAL HA 1 70 ALA H 5.900 . 5.900 4.120 4.064 4.205 . 0 0 "[ . 1 . 2]" 1
816 1 68 VAL HA 1 71 LEU H 3.300 . 3.300 3.331 3.307 3.351 0.051 5 0 "[ . 1 . 2]" 1
817 1 68 VAL HA 1 72 LYS H 5.000 . 5.000 4.157 3.979 4.266 . 0 0 "[ . 1 . 2]" 1
818 1 68 VAL H 1 68 VAL HB 2.900 . 2.900 2.596 2.555 2.632 . 0 0 "[ . 1 . 2]" 1
819 1 68 VAL H 1 68 VAL QG 2.900 . 4.600 2.098 2.013 2.172 . 0 0 "[ . 1 . 2]" 1
820 1 68 VAL QG 1 69 GLN H 3.300 . 5.700 3.385 3.338 3.434 . 0 0 "[ . 1 . 2]" 1
821 1 68 VAL QG 1 70 ALA H 5.900 . 8.300 4.517 4.453 4.605 . 0 0 "[ . 1 . 2]" 1
822 1 68 VAL QG 1 71 LEU H 5.000 . 7.400 4.243 4.190 4.274 . 0 0 "[ . 1 . 2]" 1
823 1 68 VAL QG 1 72 LYS H 5.000 . 7.400 4.082 3.985 4.149 . 0 0 "[ . 1 . 2]" 1
824 1 68 VAL H 1 69 GLN H 2.900 . 2.900 2.427 2.375 2.458 . 0 0 "[ . 1 . 2]" 1
825 1 68 VAL H 1 70 ALA H 5.000 . 5.000 3.818 3.690 3.961 . 0 0 "[ . 1 . 2]" 1
826 1 68 VAL H 1 71 LEU H 5.900 . 5.900 4.684 4.539 4.757 . 0 0 "[ . 1 . 2]" 1
827 1 69 GLN H 1 69 GLN HA 2.900 . 2.900 2.871 2.851 2.883 . 0 0 "[ . 1 . 2]" 1
828 1 69 GLN HA 1 70 ALA H 3.300 . 3.300 3.438 3.424 3.453 0.153 12 0 "[ . 1 . 2]" 1
829 1 69 GLN HA 1 72 LYS H 5.000 . 5.000 3.219 3.094 3.395 . 0 0 "[ . 1 . 2]" 1
830 1 69 GLN HA 1 73 LYS H 5.900 . 5.900 4.051 3.886 4.221 . 0 0 "[ . 1 . 2]" 1
831 1 69 GLN H 1 69 GLN QB 2.900 . 3.500 2.275 2.165 2.490 . 0 0 "[ . 1 . 2]" 1
832 1 69 GLN QB 1 70 ALA H 2.900 . 3.900 2.989 2.767 3.556 . 0 0 "[ . 1 . 2]" 1
833 1 69 GLN H 1 69 GLN QG 2.900 . 3.900 2.817 2.367 3.072 . 0 0 "[ . 1 . 2]" 1
834 1 69 GLN QG 1 70 ALA H 5.000 . 6.000 3.814 2.134 4.375 . 0 0 "[ . 1 . 2]" 1
835 1 69 GLN H 1 70 ALA MB 5.000 . 6.500 4.003 3.929 4.110 . 0 0 "[ . 1 . 2]" 1
836 1 70 ALA H 1 70 ALA HA 2.900 . 2.900 2.854 2.842 2.874 . 0 0 "[ . 1 . 2]" 1
837 1 70 ALA HA 1 71 LEU H 5.000 . 5.000 3.502 3.467 3.519 . 0 0 "[ . 1 . 2]" 1
838 1 70 ALA HA 1 73 LYS H 5.000 . 5.000 3.538 3.341 3.643 . 0 0 "[ . 1 . 2]" 1
839 1 70 ALA H 1 70 ALA MB 2.900 . 4.000 2.185 2.094 2.254 . 0 0 "[ . 1 . 2]" 1
840 1 70 ALA H 1 71 LEU QD 5.000 . 7.400 4.673 4.374 4.908 . 0 0 "[ . 1 . 2]" 1
841 1 70 ALA H 1 73 LYS QB 5.000 . 6.000 4.927 4.475 5.180 . 0 0 "[ . 1 . 2]" 1
842 1 71 LEU H 1 71 LEU HA 2.900 . 2.900 2.889 2.858 2.902 0.002 6 0 "[ . 1 . 2]" 1
843 1 71 LEU HA 1 72 LYS H 3.300 . 3.300 3.424 3.412 3.456 0.156 12 0 "[ . 1 . 2]" 1
844 1 71 LEU HA 1 73 LYS H 5.000 . 5.000 3.950 3.868 4.116 . 0 0 "[ . 1 . 2]" 1
845 1 71 LEU HA 1 74 THR H 5.900 . 5.900 5.019 3.576 5.924 0.024 6 0 "[ . 1 . 2]" 1
846 1 71 LEU H 1 71 LEU QB 2.900 . 3.500 2.350 2.215 2.501 . 0 0 "[ . 1 . 2]" 1
847 1 71 LEU QB 1 72 LYS H 5.000 . 6.000 2.896 2.743 2.984 . 0 0 "[ . 1 . 2]" 1
848 1 71 LEU H 1 71 LEU QD 3.300 . 5.000 3.239 3.019 3.421 . 0 0 "[ . 1 . 2]" 1
849 1 71 LEU QD 1 72 LYS H 5.000 . 7.400 4.218 4.079 4.300 . 0 0 "[ . 1 . 2]" 1
850 1 71 LEU H 1 71 LEU HG 2.900 . 2.900 2.703 2.366 2.908 0.008 11 0 "[ . 1 . 2]" 1
851 1 71 LEU HG 1 72 LYS H 5.900 . 5.900 4.568 4.304 4.704 . 0 0 "[ . 1 . 2]" 1
852 1 72 LYS H 1 72 LYS HA 2.900 . 2.900 2.903 2.897 2.907 0.007 12 0 "[ . 1 . 2]" 1
853 1 72 LYS HA 1 73 LYS H 3.300 . 3.300 3.374 3.353 3.405 0.105 1 0 "[ . 1 . 2]" 1
854 1 72 LYS H 1 72 LYS QB 2.900 . 3.500 2.274 2.146 2.672 . 0 0 "[ . 1 . 2]" 1
855 1 72 LYS H 1 72 LYS QD 3.300 . 4.300 3.457 2.776 3.904 . 0 0 "[ . 1 . 2]" 1
856 1 72 LYS H 1 72 LYS QE 5.900 . 6.900 4.868 3.345 5.526 . 0 0 "[ . 1 . 2]" 1
857 1 72 LYS H 1 72 LYS QG 3.300 . 4.300 3.191 2.004 3.896 . 0 0 "[ . 1 . 2]" 1
858 1 72 LYS H 1 73 LYS HA 5.900 . 5.900 4.969 4.923 4.998 . 0 0 "[ . 1 . 2]" 1
859 1 72 LYS H 1 73 LYS H 2.900 . 2.900 2.297 2.256 2.336 . 0 0 "[ . 1 . 2]" 1
860 1 72 LYS H 1 74 THR H 5.900 . 5.900 4.980 3.854 5.902 0.002 3 0 "[ . 1 . 2]" 1
861 1 73 LYS H 1 73 LYS HA 2.900 . 2.900 2.931 2.906 2.938 0.038 20 0 "[ . 1 . 2]" 1
862 1 73 LYS HA 1 74 THR H 3.300 . 3.300 2.678 2.195 3.417 0.117 19 0 "[ . 1 . 2]" 1
863 1 73 LYS H 1 73 LYS QB 2.900 . 3.500 2.514 2.306 2.773 . 0 0 "[ . 1 . 2]" 1
864 1 73 LYS QB 1 74 THR H 5.900 . 6.900 3.762 1.824 4.054 . 0 0 "[ . 1 . 2]" 1
865 1 73 LYS H 1 73 LYS QD 5.000 . 6.000 4.413 3.669 4.981 . 0 0 "[ . 1 . 2]" 1
866 1 73 LYS QD 1 74 THR H 5.900 . 6.900 5.203 4.009 6.038 . 0 0 "[ . 1 . 2]" 1
867 1 73 LYS H 1 73 LYS QE 5.900 . 6.900 5.115 3.882 5.914 . 0 0 "[ . 1 . 2]" 1
868 1 73 LYS H 1 73 LYS QG 2.900 . 3.900 2.913 2.161 3.585 . 0 0 "[ . 1 . 2]" 1
869 1 73 LYS QG 1 74 THR H 5.900 . 6.900 4.143 2.901 4.754 . 0 0 "[ . 1 . 2]" 1
870 1 74 THR HA 1 75 GLY H 3.300 . 3.300 2.468 2.169 2.725 . 0 0 "[ . 1 . 2]" 1
871 1 74 THR H 1 74 THR MG 3.300 . 4.800 3.037 2.105 3.871 . 0 0 "[ . 1 . 2]" 1
872 1 74 THR MG 1 75 GLY H 5.900 . 7.400 3.469 2.554 3.953 . 0 0 "[ . 1 . 2]" 1
873 1 74 THR H 1 75 GLY H 5.900 . 5.900 4.419 3.772 4.630 . 0 0 "[ . 1 . 2]" 1
874 1 75 GLY QA 1 77 GLU H 5.000 . 6.000 4.517 3.209 5.443 . 0 0 "[ . 1 . 2]" 1
875 1 76 LYS HA 1 77 GLU H 3.300 . 3.300 3.217 2.910 3.467 0.167 8 0 "[ . 1 . 2]" 1
876 1 76 LYS H 1 77 GLU H 5.000 . 5.000 3.584 1.986 4.633 . 0 0 "[ . 1 . 2]" 1
877 1 77 GLU H 1 77 GLU HA 2.900 . 2.900 2.853 2.830 2.925 0.025 3 0 "[ . 1 . 2]" 1
878 1 77 GLU HA 1 78 VAL H 2.900 . 2.900 2.177 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
879 1 77 GLU H 1 77 GLU QB 2.900 . 3.500 2.569 2.059 3.188 . 0 0 "[ . 1 . 2]" 1
880 1 77 GLU QB 1 78 VAL H 5.000 . 6.000 3.274 2.857 3.807 . 0 0 "[ . 1 . 2]" 1
881 1 77 GLU H 1 77 GLU QG 3.300 . 4.300 3.217 1.969 3.859 . 0 0 "[ . 1 . 2]" 1
882 1 77 GLU QG 1 78 VAL H 5.000 . 6.000 3.734 2.891 4.426 . 0 0 "[ . 1 . 2]" 1
883 1 77 GLU H 1 78 VAL QG 5.000 . 7.400 3.937 3.081 4.618 . 0 0 "[ . 1 . 2]" 1
884 1 77 GLU H 1 78 VAL H 5.000 . 5.000 4.321 3.770 4.607 . 0 0 "[ . 1 . 2]" 1
885 1 78 VAL HA 1 79 VAL H 2.900 . 2.900 2.215 2.140 2.368 . 0 0 "[ . 1 . 2]" 1
886 1 78 VAL H 1 78 VAL HB 3.300 . 3.300 2.779 2.647 2.897 . 0 0 "[ . 1 . 2]" 1
887 1 78 VAL H 1 78 VAL QG 2.900 . 4.600 2.603 2.090 2.831 . 0 0 "[ . 1 . 2]" 1
888 1 78 VAL H 1 79 VAL QG 5.000 . 7.400 4.117 3.291 4.499 . 0 0 "[ . 1 . 2]" 1
889 1 78 VAL H 1 79 VAL H 5.900 . 5.900 4.042 3.407 4.535 . 0 0 "[ . 1 . 2]" 1
890 1 79 VAL HA 1 80 LEU H 2.900 . 2.900 2.225 2.147 2.324 . 0 0 "[ . 1 . 2]" 1
891 1 79 VAL H 1 79 VAL HB 2.900 . 2.900 2.627 2.586 2.920 0.020 7 0 "[ . 1 . 2]" 1
892 1 79 VAL HB 1 80 LEU H 5.000 . 5.000 4.386 4.190 4.438 . 0 0 "[ . 1 . 2]" 1
893 1 79 VAL H 1 79 VAL QG 2.900 . 4.600 2.276 1.960 2.903 . 0 0 "[ . 1 . 2]" 1
894 1 79 VAL QG 1 80 LEU H 5.000 . 7.400 3.160 2.672 3.381 . 0 0 "[ . 1 . 2]" 1
895 1 79 VAL H 1 80 LEU H 5.000 . 5.000 4.142 3.981 4.359 . 0 0 "[ . 1 . 2]" 1
896 1 80 LEU HA 1 81 GLU H 2.900 . 2.900 2.223 2.128 2.339 . 0 0 "[ . 1 . 2]" 1
897 1 80 LEU H 1 80 LEU QB 3.300 . 3.900 2.515 2.155 2.996 . 0 0 "[ . 1 . 2]" 1
898 1 80 LEU QB 1 81 GLU H 3.300 . 4.300 3.671 3.359 3.823 . 0 0 "[ . 1 . 2]" 1
899 1 80 LEU H 1 80 LEU QD 2.900 . 4.600 2.707 2.023 3.281 . 0 0 "[ . 1 . 2]" 1
900 1 80 LEU QD 1 81 GLU H 5.000 . 7.400 4.345 3.841 4.555 . 0 0 "[ . 1 . 2]" 1
901 1 80 LEU H 1 80 LEU HG 3.300 . 3.300 2.693 1.875 3.309 0.009 20 0 "[ . 1 . 2]" 1
902 1 80 LEU HG 1 81 GLU H 5.000 . 5.000 4.777 4.502 4.984 . 0 0 "[ . 1 . 2]" 1
903 1 80 LEU H 1 81 GLU H 5.900 . 5.900 4.126 3.908 4.343 . 0 0 "[ . 1 . 2]" 1
904 1 81 GLU HA 1 82 VAL H 2.900 . 2.900 2.148 2.118 2.163 . 0 0 "[ . 1 . 2]" 1
905 1 81 GLU H 1 81 GLU QB 3.300 . 3.900 2.440 2.222 3.011 . 0 0 "[ . 1 . 2]" 1
906 1 81 GLU QB 1 82 VAL H 3.300 . 4.300 3.678 3.154 3.922 . 0 0 "[ . 1 . 2]" 1
907 1 81 GLU H 1 81 GLU QG 3.300 . 4.300 3.183 1.876 3.955 . 0 0 "[ . 1 . 2]" 1
908 1 81 GLU QG 1 82 VAL H 5.000 . 6.000 3.637 2.609 4.702 . 0 0 "[ . 1 . 2]" 1
909 1 81 GLU H 1 82 VAL QG 3.300 . 5.700 3.938 3.777 4.055 . 0 0 "[ . 1 . 2]" 1
910 1 81 GLU H 1 82 VAL H 5.900 . 5.900 4.409 4.333 4.526 . 0 0 "[ . 1 . 2]" 1
911 1 82 VAL HA 1 83 LYS H 2.900 . 2.900 2.392 2.221 2.467 . 0 0 "[ . 1 . 2]" 1
912 1 82 VAL HB 1 83 LYS H 2.900 . 2.900 2.390 2.205 2.802 . 0 0 "[ . 1 . 2]" 1
913 1 82 VAL H 1 82 VAL QG 2.900 . 4.600 2.093 1.949 2.227 . 0 0 "[ . 1 . 2]" 1
914 1 82 VAL QG 1 83 LYS H 2.900 . 5.300 3.137 3.004 3.367 . 0 0 "[ . 1 . 2]" 1
915 1 82 VAL QG 1 84 TYR H 5.900 . 8.300 4.201 3.466 5.289 . 0 0 "[ . 1 . 2]" 1
916 1 82 VAL H 1 83 LYS H 5.900 . 5.900 4.449 4.426 4.469 . 0 0 "[ . 1 . 2]" 1
917 1 83 LYS H 1 83 LYS QB 2.900 . 3.500 2.565 2.267 3.130 . 0 0 "[ . 1 . 2]" 1
918 1 83 LYS QB 1 84 TYR H 5.000 . 6.000 3.396 2.360 3.753 . 0 0 "[ . 1 . 2]" 1
919 1 83 LYS H 1 83 LYS QE 5.900 . 6.900 5.500 4.327 6.049 . 0 0 "[ . 1 . 2]" 1
920 1 83 LYS H 1 83 LYS QG 3.300 . 4.300 3.549 2.223 3.931 . 0 0 "[ . 1 . 2]" 1
921 1 84 TYR HA 1 85 MET H 2.900 . 2.900 2.181 2.132 2.288 . 0 0 "[ . 1 . 2]" 1
922 1 84 TYR HA 1 86 LYS H 5.000 . 5.000 3.347 3.187 3.544 . 0 0 "[ . 1 . 2]" 1
923 1 84 TYR H 1 84 TYR QB 3.300 . 3.900 2.187 2.059 2.373 . 0 0 "[ . 1 . 2]" 1
924 1 84 TYR QB 1 85 MET H 5.000 . 6.000 3.878 3.666 3.999 . 0 0 "[ . 1 . 2]" 1
925 1 84 TYR H 1 84 TYR QD 5.000 . 7.000 4.010 3.534 4.219 . 0 0 "[ . 1 . 2]" 1
926 1 84 TYR QD 1 86 LYS H 5.000 . 7.000 2.838 1.994 3.995 . 0 0 "[ . 1 . 2]" 1
927 1 84 TYR H 1 84 TYR QE 5.900 . 7.900 6.029 5.540 6.237 . 0 0 "[ . 1 . 2]" 1
928 1 84 TYR H 1 85 MET H 5.900 . 5.900 4.274 4.061 4.454 . 0 0 "[ . 1 . 2]" 1
929 1 85 MET HA 1 86 LYS H 3.300 . 3.300 3.179 2.946 3.382 0.082 4 0 "[ . 1 . 2]" 1
930 1 85 MET H 1 85 MET QB 3.300 . 3.900 2.489 2.210 3.235 . 0 0 "[ . 1 . 2]" 1
931 1 85 MET QB 1 86 LYS H 5.000 . 6.000 3.532 3.089 4.017 . 0 0 "[ . 1 . 2]" 1
932 1 85 MET H 1 85 MET QG 3.300 . 4.300 3.329 2.152 3.911 . 0 0 "[ . 1 . 2]" 1
933 1 85 MET QG 1 86 LYS H 5.000 . 6.000 4.474 3.114 4.758 . 0 0 "[ . 1 . 2]" 1
934 1 85 MET H 1 86 LYS H 3.300 . 3.300 2.200 1.975 2.430 . 0 0 "[ . 1 . 2]" 1
935 1 86 LYS H 1 86 LYS QB 3.300 . 3.900 2.820 2.172 3.426 . 0 0 "[ . 1 . 2]" 1
936 1 86 LYS QB 1 87 GLU H 3.300 . 4.300 2.995 1.932 3.887 . 0 0 "[ . 1 . 2]" 1
937 1 86 LYS H 1 86 LYS QE 5.900 . 6.900 5.350 4.010 6.034 . 0 0 "[ . 1 . 2]" 1
938 1 86 LYS QG 1 87 GLU H 5.000 . 6.000 3.239 1.986 4.376 . 0 0 "[ . 1 . 2]" 1
939 1 86 LYS H 1 87 GLU H 5.000 . 5.000 4.070 2.210 4.642 . 0 0 "[ . 1 . 2]" 1
940 1 87 GLU H 1 87 GLU HA 2.900 . 2.900 2.793 2.273 2.936 0.036 9 0 "[ . 1 . 2]" 1
941 1 87 GLU H 1 87 GLU QB 3.300 . 3.900 2.572 2.110 3.184 . 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 46
_Distance_constraint_stats_list.Viol_count 268
_Distance_constraint_stats_list.Viol_total 81.767
_Distance_constraint_stats_list.Viol_max 0.069
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0153
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 0.004 0.003 15 0 "[ . 1 . 2]"
1 4 VAL 0.097 0.024 8 0 "[ . 1 . 2]"
1 6 VAL 0.076 0.020 5 0 "[ . 1 . 2]"
1 17 SER 1.038 0.069 6 0 "[ . 1 . 2]"
1 19 LYS 0.610 0.051 12 0 "[ . 1 . 2]"
1 29 LEU 0.610 0.051 12 0 "[ . 1 . 2]"
1 32 LYS 1.038 0.069 6 0 "[ . 1 . 2]"
1 37 LEU 0.115 0.019 13 0 "[ . 1 . 2]"
1 38 ALA 0.154 0.023 11 0 "[ . 1 . 2]"
1 41 GLN 0.115 0.019 13 0 "[ . 1 . 2]"
1 42 THR 0.154 0.023 11 0 "[ . 1 . 2]"
1 50 ALA 0.066 0.011 6 0 "[ . 1 . 2]"
1 53 SER 0.358 0.039 10 0 "[ . 1 . 2]"
1 54 VAL 0.093 0.009 5 0 "[ . 1 . 2]"
1 57 GLU 0.093 0.009 5 0 "[ . 1 . 2]"
1 64 HIS 0.004 0.004 9 0 "[ . 1 . 2]"
1 65 ASP 0.132 0.016 11 0 "[ . 1 . 2]"
1 66 GLU 0.212 0.016 11 0 "[ . 1 . 2]"
1 67 ALA 0.285 0.028 17 0 "[ . 1 . 2]"
1 68 VAL 0.602 0.054 12 0 "[ . 1 . 2]"
1 69 GLN 0.377 0.023 1 0 "[ . 1 . 2]"
1 70 ALA 0.212 0.016 11 0 "[ . 1 . 2]"
1 71 LEU 0.285 0.028 17 0 "[ . 1 . 2]"
1 72 LYS 0.599 0.054 12 0 "[ . 1 . 2]"
1 73 LYS 0.245 0.023 1 0 "[ . 1 . 2]"
1 78 VAL 0.076 0.020 5 0 "[ . 1 . 2]"
1 80 LEU 0.097 0.024 8 0 "[ . 1 . 2]"
1 81 GLU 0.358 0.039 10 0 "[ . 1 . 2]"
1 82 VAL 0.004 0.003 15 0 "[ . 1 . 2]"
1 83 LYS 0.066 0.011 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 64 HIS O 1 68 VAL N 3.300 2.200 3.300 2.847 2.717 2.930 . 0 0 "[ . 1 . 2]" 2
2 1 64 HIS O 1 68 VAL H 2.200 . 2.200 1.929 1.796 1.997 0.004 9 0 "[ . 1 . 2]" 2
3 1 65 ASP O 1 69 GLN N 3.300 2.200 3.300 2.940 2.879 3.000 . 0 0 "[ . 1 . 2]" 2
4 1 65 ASP O 1 69 GLN H 2.200 . 2.200 2.204 2.150 2.216 0.016 11 0 "[ . 1 . 2]" 2
5 1 66 GLU O 1 70 ALA N 3.300 2.200 3.300 2.929 2.884 2.997 . 0 0 "[ . 1 . 2]" 2
6 1 66 GLU O 1 70 ALA H 2.200 . 2.200 2.211 2.203 2.216 0.016 11 0 "[ . 1 . 2]" 2
7 1 67 ALA O 1 71 LEU N 3.300 2.200 3.300 3.027 2.905 3.071 . 0 0 "[ . 1 . 2]" 2
8 1 67 ALA O 1 71 LEU H 2.200 . 2.200 2.214 2.200 2.228 0.028 17 0 "[ . 1 . 2]" 2
9 1 68 VAL O 1 72 LYS N 3.300 2.200 3.300 2.970 2.925 3.103 . 0 0 "[ . 1 . 2]" 2
10 1 68 VAL O 1 72 LYS H 2.200 . 2.200 2.230 2.219 2.254 0.054 12 0 "[ . 1 . 2]" 2
11 1 69 GLN O 1 73 LYS N 3.300 2.200 3.300 2.826 2.752 2.945 . 0 0 "[ . 1 . 2]" 2
12 1 69 GLN O 1 73 LYS H 2.200 . 2.200 2.212 2.205 2.223 0.023 1 0 "[ . 1 . 2]" 2
13 1 37 LEU O 1 41 GLN N 3.300 2.200 3.300 2.872 2.799 2.962 . 0 0 "[ . 1 . 2]" 2
14 1 37 LEU O 1 41 GLN H 2.200 . 2.200 2.202 2.173 2.219 0.019 13 0 "[ . 1 . 2]" 2
15 1 38 ALA O 1 42 THR N 3.300 2.200 3.300 3.086 2.988 3.162 . 0 0 "[ . 1 . 2]" 2
16 1 38 ALA O 1 42 THR H 2.200 . 2.200 2.207 2.197 2.223 0.023 11 0 "[ . 1 . 2]" 2
17 1 2 ARG O 1 82 VAL H 2.200 . 2.200 2.042 1.896 2.203 0.003 15 0 "[ . 1 . 2]" 2
18 1 2 ARG O 1 82 VAL N 3.300 2.200 3.300 2.947 2.768 3.178 . 0 0 "[ . 1 . 2]" 2
19 1 4 VAL O 1 80 LEU H 2.200 . 2.200 1.998 1.776 2.202 0.024 8 0 "[ . 1 . 2]" 2
20 1 4 VAL O 1 80 LEU N 3.300 2.200 3.300 2.900 2.554 3.167 . 0 0 "[ . 1 . 2]" 2
21 1 4 VAL H 1 80 LEU O 2.200 . 2.200 1.960 1.791 2.203 0.009 12 0 "[ . 1 . 2]" 2
22 1 4 VAL N 1 80 LEU O 3.300 2.200 3.300 2.892 2.629 3.144 . 0 0 "[ . 1 . 2]" 2
23 1 6 VAL O 1 78 VAL H 2.200 . 2.200 2.115 1.849 2.220 0.020 5 0 "[ . 1 . 2]" 2
24 1 6 VAL O 1 78 VAL N 3.300 2.200 3.300 2.946 2.727 3.176 . 0 0 "[ . 1 . 2]" 2
25 1 6 VAL H 1 78 VAL O 2.200 . 2.200 2.072 1.858 2.206 0.006 4 0 "[ . 1 . 2]" 2
26 1 6 VAL N 1 78 VAL O 3.300 2.200 3.300 2.989 2.747 3.141 . 0 0 "[ . 1 . 2]" 2
27 1 53 SER H 1 81 GLU O 2.200 . 2.200 2.217 2.205 2.239 0.039 10 0 "[ . 1 . 2]" 2
28 1 53 SER N 1 81 GLU O 3.300 2.200 3.300 3.120 3.038 3.185 . 0 0 "[ . 1 . 2]" 2
29 1 53 SER O 1 81 GLU H 2.200 . 2.200 2.038 1.797 2.205 0.005 6 0 "[ . 1 . 2]" 2
30 1 53 SER O 1 81 GLU N 3.300 2.200 3.300 2.699 2.574 2.917 . 0 0 "[ . 1 . 2]" 2
31 1 54 VAL O 1 57 GLU H 2.200 . 2.200 2.203 2.199 2.208 0.008 15 0 "[ . 1 . 2]" 2
32 1 54 VAL O 1 57 GLU N 3.300 2.200 3.300 2.878 2.722 2.955 . 0 0 "[ . 1 . 2]" 2
33 1 54 VAL H 1 57 GLU O 2.200 . 2.200 2.107 1.900 2.209 0.009 5 0 "[ . 1 . 2]" 2
34 1 54 VAL N 1 57 GLU O 3.300 2.200 3.300 3.014 2.839 3.123 . 0 0 "[ . 1 . 2]" 2
35 1 17 SER O 1 32 LYS H 2.200 . 2.200 2.252 2.234 2.269 0.069 6 0 "[ . 1 . 2]" 2
36 1 17 SER O 1 32 LYS N 3.300 2.200 3.300 2.994 2.933 3.038 . 0 0 "[ . 1 . 2]" 2
37 1 17 SER H 1 32 LYS O 2.200 . 2.200 1.901 1.794 2.097 0.006 12 0 "[ . 1 . 2]" 2
38 1 17 SER N 1 32 LYS O 3.300 2.200 3.300 2.669 2.562 2.759 . 0 0 "[ . 1 . 2]" 2
39 1 19 LYS O 1 29 LEU H 2.200 . 2.200 1.848 1.787 1.998 0.013 10 0 "[ . 1 . 2]" 2
40 1 19 LYS O 1 29 LEU N 3.300 2.200 3.300 2.706 2.627 2.861 . 0 0 "[ . 1 . 2]" 2
41 1 19 LYS H 1 29 LEU O 2.200 . 2.200 1.772 1.749 1.796 0.051 12 0 "[ . 1 . 2]" 2
42 1 19 LYS N 1 29 LEU O 3.300 2.200 3.300 2.649 2.563 2.694 . 0 0 "[ . 1 . 2]" 2
43 1 50 ALA O 1 83 LYS H 2.200 . 2.200 1.879 1.789 2.098 0.011 6 0 "[ . 1 . 2]" 2
44 1 50 ALA O 1 83 LYS N 3.300 2.200 3.300 2.727 2.596 2.901 . 0 0 "[ . 1 . 2]" 2
45 1 50 ALA H 1 83 LYS O 2.200 . 2.200 1.936 1.792 2.196 0.008 17 0 "[ . 1 . 2]" 2
46 1 50 ALA N 1 83 LYS O 3.300 2.200 3.300 2.846 2.671 3.131 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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