NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
394586 |
1r9p   |
5842 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1r9p
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 10
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 18.558
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0132
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0166
_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 37 CYS 0.588 0.116 19 0 "[ . 1 . 2]"
1 63 CYS 0.311 0.081 19 0 "[ . 1 . 2]"
1 105 HIS 0.380 0.081 19 0 "[ . 1 . 2]"
1 106 CYS 0.554 0.116 19 0 "[ . 1 . 2]"
2 1 ZN 0.022 0.005 1 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 37 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.349 2.296 2.404 0.004 1 0 "[ . 1 . 2]" 1
2 1 63 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.359 2.310 2.402 0.002 5 0 "[ . 1 . 2]" 1
3 1 106 CYS SG 2 1 ZN ZN 2.300 2.300 2.400 2.364 2.332 2.405 0.005 1 0 "[ . 1 . 2]" 1
4 1 105 HIS NE2 2 1 ZN ZN 2.000 . 2.100 2.066 2.028 2.104 0.004 17 0 "[ . 1 . 2]" 1
5 1 37 CYS SG 1 63 CYS SG 3.600 3.600 3.850 3.691 3.562 3.863 0.038 19 0 "[ . 1 . 2]" 1
6 1 37 CYS SG 1 106 CYS SG 3.600 3.600 3.850 3.851 3.724 3.966 0.116 19 0 "[ . 1 . 2]" 1
7 1 37 CYS SG 1 105 HIS NE2 3.600 3.600 3.850 3.647 3.579 3.814 0.021 19 0 "[ . 1 . 2]" 1
8 1 63 CYS SG 1 106 CYS SG 3.600 3.600 3.850 3.652 3.582 3.839 0.018 19 0 "[ . 1 . 2]" 1
9 1 63 CYS SG 1 105 HIS NE2 3.600 3.600 3.850 3.792 3.605 3.931 0.081 19 0 "[ . 1 . 2]" 1
10 1 105 HIS NE2 1 106 CYS SG 3.600 3.600 3.850 3.676 3.537 3.856 0.063 19 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 710
_Distance_constraint_stats_list.Viol_count 309
_Distance_constraint_stats_list.Viol_total 85.076
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.007 0.006 11 0 "[ . 1 . 2]"
1 21 ASP 0.062 0.017 12 0 "[ . 1 . 2]"
1 22 LYS 0.010 0.010 7 0 "[ . 1 . 2]"
1 23 LYS 0.060 0.017 12 0 "[ . 1 . 2]"
1 24 ASP 0.127 0.028 11 0 "[ . 1 . 2]"
1 25 SER 0.068 0.015 15 0 "[ . 1 . 2]"
1 26 ASN 0.116 0.028 11 0 "[ . 1 . 2]"
1 27 VAL 0.076 0.019 10 0 "[ . 1 . 2]"
1 28 GLY 0.028 0.019 5 0 "[ . 1 . 2]"
1 29 THR 0.036 0.015 9 0 "[ . 1 . 2]"
1 30 GLY 0.008 0.003 20 0 "[ . 1 . 2]"
1 31 MET 0.084 0.023 5 0 "[ . 1 . 2]"
1 32 VAL 0.037 0.020 19 0 "[ . 1 . 2]"
1 33 GLY 0.030 0.020 19 0 "[ . 1 . 2]"
1 34 ALA 0.658 0.108 20 0 "[ . 1 . 2]"
1 35 PRO 0.032 0.020 11 0 "[ . 1 . 2]"
1 36 ALA 0.027 0.020 11 0 "[ . 1 . 2]"
1 37 CYS 0.149 0.034 11 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.691 0.108 20 0 "[ . 1 . 2]"
1 40 VAL 0.009 0.009 5 0 "[ . 1 . 2]"
1 41 MET 0.011 0.011 12 0 "[ . 1 . 2]"
1 42 GLN 0.015 0.009 2 0 "[ . 1 . 2]"
1 43 LEU 0.082 0.023 5 0 "[ . 1 . 2]"
1 44 GLN 0.010 0.010 7 0 "[ . 1 . 2]"
1 45 ILE 0.094 0.025 2 0 "[ . 1 . 2]"
1 46 LYS 0.035 0.019 8 0 "[ . 1 . 2]"
1 47 VAL 0.025 0.019 8 0 "[ . 1 . 2]"
1 48 ASP 0.504 0.056 7 0 "[ . 1 . 2]"
1 49 ASP 0.069 0.009 8 0 "[ . 1 . 2]"
1 50 ASN 0.468 0.056 7 0 "[ . 1 . 2]"
1 51 GLY 0.040 0.014 13 0 "[ . 1 . 2]"
1 52 ILE 0.077 0.021 8 0 "[ . 1 . 2]"
1 53 ILE 0.017 0.012 8 0 "[ . 1 . 2]"
1 54 GLU 0.005 0.005 3 0 "[ . 1 . 2]"
1 55 ASP 0.042 0.032 6 0 "[ . 1 . 2]"
1 56 ALA 0.060 0.032 6 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.117 0.035 7 0 "[ . 1 . 2]"
1 60 THR 0.104 0.028 20 0 "[ . 1 . 2]"
1 61 TYR 0.016 0.009 1 0 "[ . 1 . 2]"
1 62 GLY 0.156 0.068 20 0 "[ . 1 . 2]"
1 63 CYS 0.024 0.009 1 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.028 0.014 9 0 "[ . 1 . 2]"
1 67 ILE 0.020 0.008 10 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LEU 0.102 0.027 7 0 "[ . 1 . 2]"
1 73 ILE 0.083 0.028 20 0 "[ . 1 . 2]"
1 74 THR 0.103 0.035 7 0 "[ . 1 . 2]"
1 75 GLU 0.035 0.022 7 0 "[ . 1 . 2]"
1 76 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.053 0.022 10 0 "[ . 1 . 2]"
1 78 LYS 0.001 0.001 11 0 "[ . 1 . 2]"
1 79 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.005 0.004 1 0 "[ . 1 . 2]"
1 81 SER 0.005 0.005 2 0 "[ . 1 . 2]"
1 82 LEU 0.050 0.021 3 0 "[ . 1 . 2]"
1 83 GLU 0.072 0.021 3 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.158 0.026 14 0 "[ . 1 . 2]"
1 86 GLY 0.103 0.021 10 0 "[ . 1 . 2]"
1 87 ALA 0.624 0.073 19 0 "[ . 1 . 2]"
1 88 ILE 0.676 0.073 19 0 "[ . 1 . 2]"
1 89 LYS 0.071 0.014 14 0 "[ . 1 . 2]"
1 90 ASN 0.005 0.004 19 0 "[ . 1 . 2]"
1 91 SER 0.043 0.020 13 0 "[ . 1 . 2]"
1 92 GLN 0.053 0.014 9 0 "[ . 1 . 2]"
1 93 ILE 0.015 0.011 17 0 "[ . 1 . 2]"
1 94 ALA 0.043 0.014 9 0 "[ . 1 . 2]"
1 95 GLU 0.027 0.021 2 0 "[ . 1 . 2]"
1 96 GLU 0.067 0.027 7 0 "[ . 1 . 2]"
1 97 LEU 0.025 0.025 2 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 0.062 0.025 2 0 "[ . 1 . 2]"
1 101 PRO 0.116 0.035 6 0 "[ . 1 . 2]"
1 102 VAL 0.074 0.035 6 0 "[ . 1 . 2]"
1 103 LYS 0.065 0.025 9 0 "[ . 1 . 2]"
1 104 VAL 0.160 0.028 4 0 "[ . 1 . 2]"
1 105 HIS 0.284 0.080 19 0 "[ . 1 . 2]"
1 106 CYS 0.069 0.024 11 0 "[ . 1 . 2]"
1 107 SER 0.042 0.013 8 0 "[ . 1 . 2]"
1 108 ILE 0.045 0.013 8 0 "[ . 1 . 2]"
1 109 LEU 0.035 0.014 9 0 "[ . 1 . 2]"
1 110 ALA 0.002 0.002 15 0 "[ . 1 . 2]"
1 111 GLU 0.119 0.020 13 0 "[ . 1 . 2]"
1 112 ASP 0.052 0.018 16 0 "[ . 1 . 2]"
1 113 ALA 0.037 0.018 16 0 "[ . 1 . 2]"
1 114 ILE 0.139 0.026 14 0 "[ . 1 . 2]"
1 115 LYS 0.008 0.004 2 0 "[ . 1 . 2]"
1 116 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ALA 0.090 0.025 2 0 "[ . 1 . 2]"
1 118 ILE 0.008 0.005 17 0 "[ . 1 . 2]"
1 119 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASP 0.023 0.013 10 0 "[ . 1 . 2]"
1 121 TYR 0.149 0.026 5 0 "[ . 1 . 2]"
1 122 LYS 0.013 0.013 10 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LYS 0.061 0.026 5 0 "[ . 1 . 2]"
1 125 GLN 0.000 0.000 18 0 "[ . 1 . 2]"
1 126 GLY 0.046 0.026 14 0 "[ . 1 . 2]"
1 127 LEU 0.042 0.026 14 0 "[ . 1 . 2]"
1 128 GLU 0.011 0.008 17 0 "[ . 1 . 2]"
1 129 HIS 0.000 0.000 . 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 22 LYS H 1 23 LYS H 1.800 . 3.500 2.805 2.446 3.305 . 0 0 "[ . 1 . 2]" 2
2 1 23 LYS H 1 24 ASP H 1.800 . 3.500 2.585 1.807 3.411 . 0 0 "[ . 1 . 2]" 2
3 1 25 SER H 1 26 ASN H 1.800 . 2.800 2.606 2.316 2.815 0.015 15 0 "[ . 1 . 2]" 2
4 1 26 ASN H 1 27 VAL H 1.800 . 2.800 2.251 1.798 2.732 0.002 17 0 "[ . 1 . 2]" 2
5 1 36 ALA H 1 37 CYS H 1.800 . 3.500 2.892 1.973 3.315 . 0 0 "[ . 1 . 2]" 2
6 1 37 CYS H 1 38 GLY H 1.800 . 2.800 2.215 1.840 2.589 . 0 0 "[ . 1 . 2]" 2
7 1 38 GLY H 1 39 ASP H 1.800 . 3.500 2.946 2.165 3.367 . 0 0 "[ . 1 . 2]" 2
8 1 48 ASP H 1 49 ASP H 1.800 . 3.500 2.861 1.791 3.509 0.009 8 0 "[ . 1 . 2]" 2
9 1 49 ASP H 1 50 ASN H 1.800 . 3.500 2.246 1.791 3.467 0.009 4 0 "[ . 1 . 2]" 2
10 1 50 ASN H 1 51 GLY H 1.800 . 2.800 2.263 1.789 2.632 0.011 13 0 "[ . 1 . 2]" 2
11 1 51 GLY H 1 52 ILE H 1.800 . 3.500 2.292 1.786 2.785 0.014 13 0 "[ . 1 . 2]" 2
12 1 54 GLU H 1 55 ASP H 1.800 . 3.500 2.667 2.055 3.117 . 0 0 "[ . 1 . 2]" 2
13 1 74 THR H 1 75 GLU H 1.800 . 3.500 2.786 2.526 2.994 . 0 0 "[ . 1 . 2]" 2
14 1 75 GLU H 1 76 TRP H 1.800 . 3.500 2.460 2.247 2.615 . 0 0 "[ . 1 . 2]" 2
15 1 76 TRP H 1 77 VAL H 1.800 . 3.500 2.258 2.031 2.553 . 0 0 "[ . 1 . 2]" 2
16 1 77 VAL H 1 78 LYS H 1.800 . 3.500 2.568 2.021 3.494 . 0 0 "[ . 1 . 2]" 2
17 1 79 GLY H 1 80 LYS H 1.800 . 3.500 2.334 1.952 2.758 . 0 0 "[ . 1 . 2]" 2
18 1 82 LEU H 1 83 GLU H 1.800 . 3.500 2.633 2.486 2.833 . 0 0 "[ . 1 . 2]" 2
19 1 83 GLU H 1 84 GLU H 1.800 . 2.800 2.622 2.495 2.798 . 0 0 "[ . 1 . 2]" 2
20 1 84 GLU H 1 85 ALA H 1.800 . 3.500 2.462 2.169 2.788 . 0 0 "[ . 1 . 2]" 2
21 1 85 ALA H 1 86 GLY H 1.800 . 3.500 2.602 2.364 2.944 . 0 0 "[ . 1 . 2]" 2
22 1 86 GLY H 1 87 ALA H 1.800 . 3.500 3.162 2.377 3.453 . 0 0 "[ . 1 . 2]" 2
23 1 87 ALA H 1 88 ILE H 1.800 . 2.800 1.863 1.765 2.548 0.035 7 0 "[ . 1 . 2]" 2
24 1 91 SER H 1 92 GLN H 1.800 . 3.500 2.757 2.455 2.982 . 0 0 "[ . 1 . 2]" 2
25 1 92 GLN H 1 93 ILE H 1.800 . 3.500 2.843 2.612 3.198 . 0 0 "[ . 1 . 2]" 2
26 1 93 ILE H 1 94 ALA H 1.800 . 3.500 2.746 2.381 2.964 . 0 0 "[ . 1 . 2]" 2
27 1 94 ALA H 1 95 GLU H 1.800 . 3.500 2.655 2.405 2.919 . 0 0 "[ . 1 . 2]" 2
28 1 95 GLU H 1 96 GLU H 1.800 . 3.500 2.536 2.136 2.954 . 0 0 "[ . 1 . 2]" 2
29 1 96 GLU H 1 97 LEU H 1.800 . 3.500 2.599 2.340 2.839 . 0 0 "[ . 1 . 2]" 2
30 1 97 LEU H 1 98 GLU H 1.800 . 3.500 2.307 2.067 2.571 . 0 0 "[ . 1 . 2]" 2
31 1 98 GLU H 1 99 LEU H 1.800 . 3.500 3.039 2.614 3.451 . 0 0 "[ . 1 . 2]" 2
32 1 103 LYS H 1 104 VAL H 1.800 . 2.800 2.315 1.788 2.804 0.012 5 0 "[ . 1 . 2]" 2
33 1 106 CYS H 1 107 SER H 1.800 . 3.500 2.993 2.515 3.312 . 0 0 "[ . 1 . 2]" 2
34 1 107 SER H 1 108 ILE H 1.800 . 3.500 2.940 2.799 3.280 . 0 0 "[ . 1 . 2]" 2
35 1 108 ILE H 1 109 LEU H 1.800 . 3.500 2.908 2.705 3.208 . 0 0 "[ . 1 . 2]" 2
36 1 109 LEU H 1 110 ALA H 1.800 . 3.500 2.802 2.568 3.184 . 0 0 "[ . 1 . 2]" 2
37 1 110 ALA H 1 111 GLU H 1.800 . 3.500 2.934 2.766 3.282 . 0 0 "[ . 1 . 2]" 2
38 1 111 GLU H 1 112 ASP H 1.800 . 3.500 2.893 2.625 3.186 . 0 0 "[ . 1 . 2]" 2
39 1 113 ALA H 1 114 ILE H 1.800 . 3.500 2.806 2.507 3.317 . 0 0 "[ . 1 . 2]" 2
40 1 115 LYS H 1 116 ALA H 1.800 . 3.500 2.639 2.457 3.011 . 0 0 "[ . 1 . 2]" 2
41 1 116 ALA H 1 117 ALA H 1.800 . 3.500 2.829 2.566 3.040 . 0 0 "[ . 1 . 2]" 2
42 1 117 ALA H 1 118 ILE H 1.800 . 3.500 2.841 2.634 3.051 . 0 0 "[ . 1 . 2]" 2
43 1 118 ILE H 1 119 ALA H 1.800 . 3.500 2.807 2.644 3.027 . 0 0 "[ . 1 . 2]" 2
44 1 121 TYR H 1 122 LYS H 1.800 . 3.500 2.658 2.107 3.230 . 0 0 "[ . 1 . 2]" 2
45 1 122 LYS H 1 123 ALA H 1.800 . 3.500 2.597 2.387 3.058 . 0 0 "[ . 1 . 2]" 2
46 1 123 ALA H 1 124 LYS H 1.800 . 3.500 2.657 2.277 2.990 . 0 0 "[ . 1 . 2]" 2
47 1 124 LYS H 1 125 GLN H 1.800 . 3.500 2.760 2.180 3.386 . 0 0 "[ . 1 . 2]" 2
48 1 125 GLN H 1 126 GLY H 1.800 . 3.500 2.589 1.857 3.443 . 0 0 "[ . 1 . 2]" 2
49 1 126 GLY H 1 127 LEU H 1.800 . 3.500 2.519 1.774 3.455 0.026 14 0 "[ . 1 . 2]" 2
50 1 127 LEU H 1 128 GLU H 1.800 . 3.500 2.705 1.853 3.503 0.003 5 0 "[ . 1 . 2]" 2
51 1 22 LYS H 1 24 ASP H 1.800 . 5.000 4.201 3.319 4.993 . 0 0 "[ . 1 . 2]" 2
52 1 24 ASP H 1 26 ASN H 1.800 . 5.000 4.538 3.224 4.979 . 0 0 "[ . 1 . 2]" 2
53 1 37 CYS H 1 39 ASP H 1.800 . 4.000 3.878 3.054 4.034 0.034 11 0 "[ . 1 . 2]" 2
54 1 48 ASP H 1 50 ASN H 1.800 . 5.000 4.088 3.643 4.751 . 0 0 "[ . 1 . 2]" 2
55 1 49 ASP H 1 51 GLY H 1.800 . 5.000 3.409 2.387 4.306 . 0 0 "[ . 1 . 2]" 2
56 1 50 ASN H 1 52 ILE H 1.800 . 4.000 3.133 2.645 3.572 . 0 0 "[ . 1 . 2]" 2
57 1 61 TYR H 1 63 CYS H 1.800 . 5.000 4.629 4.009 5.009 0.009 1 0 "[ . 1 . 2]" 2
58 1 67 ILE H 1 69 SER H 1.800 . 5.000 4.473 3.886 4.988 . 0 0 "[ . 1 . 2]" 2
59 1 75 GLU H 1 77 VAL H 1.800 . 5.000 4.066 3.530 4.399 . 0 0 "[ . 1 . 2]" 2
60 1 81 SER H 1 83 GLU H 1.800 . 5.000 4.706 4.341 5.005 0.005 2 0 "[ . 1 . 2]" 2
61 1 83 GLU H 1 85 ALA H 1.800 . 5.000 4.206 3.699 4.562 . 0 0 "[ . 1 . 2]" 2
62 1 85 ALA H 1 87 ALA H 1.800 . 5.000 4.764 4.415 5.004 0.004 7 0 "[ . 1 . 2]" 2
63 1 86 GLY H 1 88 ILE H 1.800 . 5.000 4.381 3.031 4.710 . 0 0 "[ . 1 . 2]" 2
64 1 91 SER H 1 93 ILE H 1.800 . 5.000 4.653 4.204 4.998 . 0 0 "[ . 1 . 2]" 2
65 1 92 GLN H 1 94 ALA H 1.800 . 4.000 3.904 3.652 4.014 0.014 9 0 "[ . 1 . 2]" 2
66 1 93 ILE H 1 95 GLU H 1.800 . 5.000 4.288 3.839 4.968 . 0 0 "[ . 1 . 2]" 2
67 1 97 LEU H 1 99 LEU H 1.800 . 5.000 4.541 3.771 5.025 0.025 2 0 "[ . 1 . 2]" 2
68 1 106 CYS H 1 108 ILE H 1.800 . 5.000 4.514 4.186 4.919 . 0 0 "[ . 1 . 2]" 2
69 1 117 ALA H 1 119 ALA H 1.800 . 5.000 4.145 3.874 4.438 . 0 0 "[ . 1 . 2]" 2
70 1 118 ILE H 1 120 ASP H 1.800 . 5.000 4.411 4.077 4.986 . 0 0 "[ . 1 . 2]" 2
71 1 120 ASP H 1 122 LYS H 1.800 . 5.000 4.468 3.907 5.013 0.013 10 0 "[ . 1 . 2]" 2
72 1 123 ALA H 1 125 GLN H 1.800 . 5.000 4.247 3.453 4.815 . 0 0 "[ . 1 . 2]" 2
73 1 126 GLY H 1 128 GLU H 1.800 . 4.000 3.532 2.701 4.008 0.008 17 0 "[ . 1 . 2]" 2
74 1 17 VAL HA 1 18 GLY H 1.800 . 4.000 2.765 2.200 3.587 . 0 0 "[ . 1 . 2]" 2
75 1 18 GLY QA 1 19 SER H 1.800 . 3.000 2.398 2.158 2.934 . 0 0 "[ . 1 . 2]" 2
76 1 19 SER HA 1 20 LEU H 1.800 . 4.000 2.541 2.191 3.584 . 0 0 "[ . 1 . 2]" 2
77 1 20 LEU HA 1 21 ASP H 1.800 . 4.000 3.224 2.207 3.586 . 0 0 "[ . 1 . 2]" 2
78 1 21 ASP HA 1 22 LYS H 1.800 . 4.000 2.835 2.187 3.470 . 0 0 "[ . 1 . 2]" 2
79 1 22 LYS HA 1 23 LYS H 1.800 . 4.000 3.339 3.088 3.555 . 0 0 "[ . 1 . 2]" 2
80 1 23 LYS HA 1 24 ASP H 1.800 . 4.000 3.065 2.711 3.460 . 0 0 "[ . 1 . 2]" 2
81 1 24 ASP HA 1 25 SER H 1.800 . 3.000 2.533 2.209 3.011 0.011 1 0 "[ . 1 . 2]" 2
82 1 25 SER HA 1 26 ASN H 1.800 . 4.000 3.279 3.081 3.429 . 0 0 "[ . 1 . 2]" 2
83 1 26 ASN HA 1 27 VAL H 1.800 . 4.000 3.142 2.876 3.346 . 0 0 "[ . 1 . 2]" 2
84 1 27 VAL HA 1 28 GLY H 1.800 . 4.000 2.229 2.189 2.305 . 0 0 "[ . 1 . 2]" 2
85 1 28 GLY QA 1 29 THR H 1.800 . 4.000 2.199 2.159 2.274 . 0 0 "[ . 1 . 2]" 2
86 1 29 THR HA 1 30 GLY H 1.800 . 4.000 2.258 2.188 2.370 . 0 0 "[ . 1 . 2]" 2
87 1 30 GLY QA 1 31 MET H 1.800 . 4.000 2.191 2.153 2.279 . 0 0 "[ . 1 . 2]" 2
88 1 31 MET HA 1 32 VAL H 1.800 . 3.000 2.224 2.185 2.328 . 0 0 "[ . 1 . 2]" 2
89 1 32 VAL HA 1 33 GLY H 1.800 . 3.000 2.432 2.293 2.690 . 0 0 "[ . 1 . 2]" 2
90 1 33 GLY QA 1 34 ALA H 1.800 . 4.000 2.267 2.185 2.322 . 0 0 "[ . 1 . 2]" 2
91 1 35 PRO HA 1 36 ALA H 1.800 . 5.000 3.420 2.536 3.593 . 0 0 "[ . 1 . 2]" 2
92 1 37 CYS HA 1 38 GLY H 1.800 . 5.000 3.299 3.052 3.548 . 0 0 "[ . 1 . 2]" 2
93 1 38 GLY QA 1 39 ASP H 1.800 . 5.000 2.685 2.466 2.893 . 0 0 "[ . 1 . 2]" 2
94 1 40 VAL HA 1 41 MET H 1.800 . 4.000 2.210 2.188 2.262 . 0 0 "[ . 1 . 2]" 2
95 1 41 MET HA 1 42 GLN H 1.800 . 4.000 2.236 2.186 2.378 . 0 0 "[ . 1 . 2]" 2
96 1 42 GLN HA 1 43 LEU H 1.800 . 4.000 2.212 2.192 2.257 . 0 0 "[ . 1 . 2]" 2
97 1 43 LEU HA 1 44 GLN H 1.800 . 4.000 2.222 2.188 2.343 . 0 0 "[ . 1 . 2]" 2
98 1 44 GLN HA 1 45 ILE H 1.800 . 4.000 2.263 2.192 2.594 . 0 0 "[ . 1 . 2]" 2
99 1 45 ILE HA 1 46 LYS H 1.800 . 4.000 2.270 2.201 2.359 . 0 0 "[ . 1 . 2]" 2
100 1 46 LYS HA 1 47 VAL H 1.800 . 4.000 2.251 2.189 2.436 . 0 0 "[ . 1 . 2]" 2
101 1 47 VAL HA 1 48 ASP H 1.800 . 4.000 2.240 2.187 2.321 . 0 0 "[ . 1 . 2]" 2
102 1 48 ASP HA 1 49 ASP H 1.800 . 4.000 3.524 3.410 3.582 . 0 0 "[ . 1 . 2]" 2
103 1 49 ASP HA 1 50 ASN H 1.800 . 4.000 3.152 2.744 3.487 . 0 0 "[ . 1 . 2]" 2
104 1 50 ASN HA 1 51 GLY H 1.800 . 4.000 3.124 2.712 3.538 . 0 0 "[ . 1 . 2]" 2
105 1 51 GLY QA 1 52 ILE H 1.800 . 4.000 2.904 2.807 2.935 . 0 0 "[ . 1 . 2]" 2
106 1 52 ILE HA 1 53 ILE H 1.800 . 4.000 2.271 2.196 2.447 . 0 0 "[ . 1 . 2]" 2
107 1 53 ILE HA 1 54 GLU H 1.800 . 4.000 2.267 2.195 2.364 . 0 0 "[ . 1 . 2]" 2
108 1 54 GLU HA 1 55 ASP H 1.800 . 4.000 3.554 3.486 3.588 . 0 0 "[ . 1 . 2]" 2
109 1 55 ASP HA 1 56 ALA H 1.800 . 3.000 2.445 2.253 2.655 . 0 0 "[ . 1 . 2]" 2
110 1 56 ALA HA 1 57 LYS H 1.800 . 4.000 2.217 2.184 2.352 . 0 0 "[ . 1 . 2]" 2
111 1 57 LYS HA 1 58 PHE H 1.800 . 4.000 2.312 2.194 2.493 . 0 0 "[ . 1 . 2]" 2
112 1 58 PHE HA 1 59 LYS H 1.800 . 4.000 2.451 2.232 2.673 . 0 0 "[ . 1 . 2]" 2
113 1 60 THR HA 1 61 TYR H 1.800 . 4.000 2.235 2.187 2.334 . 0 0 "[ . 1 . 2]" 2
114 1 62 GLY QA 1 63 CYS H 1.800 . 5.000 2.748 2.502 2.937 . 0 0 "[ . 1 . 2]" 2
115 1 72 LEU HA 1 73 ILE H 1.800 . 5.000 3.568 3.531 3.593 . 0 0 "[ . 1 . 2]" 2
116 1 74 THR HA 1 75 GLU H 1.800 . 5.000 3.544 3.438 3.586 . 0 0 "[ . 1 . 2]" 2
117 1 75 GLU HA 1 76 TRP H 1.800 . 5.000 3.389 3.271 3.557 . 0 0 "[ . 1 . 2]" 2
118 1 76 TRP HA 1 77 VAL H 1.800 . 5.000 3.438 3.325 3.522 . 0 0 "[ . 1 . 2]" 2
119 1 77 VAL HA 1 78 LYS H 1.800 . 5.000 3.092 2.688 3.504 . 0 0 "[ . 1 . 2]" 2
120 1 78 LYS HA 1 79 GLY H 1.800 . 4.000 2.262 2.192 2.418 . 0 0 "[ . 1 . 2]" 2
121 1 79 GLY QA 1 80 LYS H 1.800 . 4.000 2.907 2.783 2.941 . 0 0 "[ . 1 . 2]" 2
122 1 80 LYS HA 1 81 SER H 1.800 . 4.000 2.647 2.446 2.832 . 0 0 "[ . 1 . 2]" 2
123 1 81 SER HA 1 82 LEU H 1.800 . 5.000 2.414 2.225 2.660 . 0 0 "[ . 1 . 2]" 2
124 1 84 GLU HA 1 85 ALA H 1.800 . 5.000 3.561 3.518 3.592 . 0 0 "[ . 1 . 2]" 2
125 1 86 GLY QA 1 87 ALA H 1.800 . 4.000 2.684 2.570 2.846 . 0 0 "[ . 1 . 2]" 2
126 1 87 ALA HA 1 88 ILE H 1.800 . 4.000 3.500 3.099 3.573 . 0 0 "[ . 1 . 2]" 2
127 1 88 ILE HA 1 89 LYS H 1.800 . 4.000 2.865 2.200 3.574 . 0 0 "[ . 1 . 2]" 2
128 1 89 LYS HA 1 90 ASN H 1.800 . 4.000 2.487 2.200 2.750 . 0 0 "[ . 1 . 2]" 2
129 1 91 SER HA 1 92 GLN H 1.800 . 5.000 3.533 3.465 3.585 . 0 0 "[ . 1 . 2]" 2
130 1 93 ILE HA 1 94 ALA H 1.800 . 5.000 3.534 3.470 3.563 . 0 0 "[ . 1 . 2]" 2
131 1 95 GLU HA 1 96 GLU H 1.800 . 5.000 3.500 3.389 3.577 . 0 0 "[ . 1 . 2]" 2
132 1 96 GLU HA 1 97 LEU H 1.800 . 5.000 3.556 3.491 3.590 . 0 0 "[ . 1 . 2]" 2
133 1 97 LEU HA 1 98 GLU H 1.800 . 5.000 3.434 3.303 3.542 . 0 0 "[ . 1 . 2]" 2
134 1 98 GLU HA 1 99 LEU H 1.800 . 5.000 2.688 2.318 3.195 . 0 0 "[ . 1 . 2]" 2
135 1 101 PRO HA 1 102 VAL H 1.800 . 5.000 3.417 3.199 3.589 . 0 0 "[ . 1 . 2]" 2
136 1 102 VAL HA 1 103 LYS H 1.800 . 5.000 3.207 2.234 3.567 . 0 0 "[ . 1 . 2]" 2
137 1 105 HIS HA 1 106 CYS H 1.800 . 5.000 3.549 3.467 3.590 . 0 0 "[ . 1 . 2]" 2
138 1 110 ALA HA 1 111 GLU H 1.800 . 5.000 3.583 3.564 3.593 . 0 0 "[ . 1 . 2]" 2
139 1 111 GLU HA 1 112 ASP H 1.800 . 5.000 3.578 3.535 3.590 . 0 0 "[ . 1 . 2]" 2
140 1 112 ASP HA 1 113 ALA H 1.800 . 5.000 3.507 3.417 3.590 . 0 0 "[ . 1 . 2]" 2
141 1 113 ALA HA 1 114 ILE H 1.800 . 5.000 3.586 3.572 3.594 . 0 0 "[ . 1 . 2]" 2
142 1 115 LYS HA 1 116 ALA H 1.800 . 5.000 3.555 3.466 3.587 . 0 0 "[ . 1 . 2]" 2
143 1 116 ALA HA 1 117 ALA H 1.800 . 5.000 3.570 3.524 3.591 . 0 0 "[ . 1 . 2]" 2
144 1 117 ALA HA 1 118 ILE H 1.800 . 5.000 3.574 3.532 3.589 . 0 0 "[ . 1 . 2]" 2
145 1 118 ILE HA 1 119 ALA H 1.800 . 5.000 3.552 3.462 3.575 . 0 0 "[ . 1 . 2]" 2
146 1 119 ALA HA 1 120 ASP H 1.800 . 5.000 3.568 3.523 3.590 . 0 0 "[ . 1 . 2]" 2
147 1 120 ASP HA 1 121 TYR H 1.800 . 5.000 3.490 3.330 3.590 . 0 0 "[ . 1 . 2]" 2
148 1 121 TYR HA 1 122 LYS H 1.800 . 5.000 3.565 3.507 3.589 . 0 0 "[ . 1 . 2]" 2
149 1 122 LYS HA 1 123 ALA H 1.800 . 5.000 3.465 3.263 3.577 . 0 0 "[ . 1 . 2]" 2
150 1 123 ALA HA 1 124 LYS H 1.800 . 4.000 3.499 3.250 3.589 . 0 0 "[ . 1 . 2]" 2
151 1 124 LYS HA 1 125 GLN H 1.800 . 5.000 3.236 2.754 3.561 . 0 0 "[ . 1 . 2]" 2
152 1 125 GLN HA 1 126 GLY H 1.800 . 4.000 3.193 2.361 3.586 . 0 0 "[ . 1 . 2]" 2
153 1 126 GLY QA 1 127 LEU H 1.800 . 4.000 2.649 2.199 2.936 . 0 0 "[ . 1 . 2]" 2
154 1 127 LEU HA 1 128 GLU H 1.800 . 4.000 3.139 2.726 3.577 . 0 0 "[ . 1 . 2]" 2
155 1 128 GLU HA 1 129 HIS H 1.800 . 5.000 2.818 2.189 3.589 . 0 0 "[ . 1 . 2]" 2
156 1 50 ASN H 1 51 GLY QA 1.800 . 5.000 4.232 3.864 4.527 . 0 0 "[ . 1 . 2]" 2
157 1 97 LEU H 1 98 GLU HA 1.800 . 5.000 4.607 4.389 4.843 . 0 0 "[ . 1 . 2]" 2
158 1 103 LYS H 1 104 VAL HA 1.800 . 5.000 4.318 3.946 5.025 0.025 9 0 "[ . 1 . 2]" 2
159 1 34 ALA HA 1 35 PRO QD 1.800 . 3.500 2.034 1.987 2.210 . 0 0 "[ . 1 . 2]" 2
160 1 34 ALA H 1 35 PRO QD 1.800 . 5.000 3.930 2.741 4.344 . 0 0 "[ . 1 . 2]" 2
161 1 35 PRO QD 1 36 ALA H 1.800 . 5.000 2.932 2.428 4.387 . 0 0 "[ . 1 . 2]" 2
162 1 21 ASP HA 1 23 LYS H 1.800 . 4.000 3.927 3.779 4.017 0.017 12 0 "[ . 1 . 2]" 2
163 1 22 LYS HA 1 24 ASP H 1.800 . 5.000 3.740 3.019 4.728 . 0 0 "[ . 1 . 2]" 2
164 1 24 ASP HA 1 26 ASN H 1.800 . 4.000 3.651 2.779 4.028 0.028 11 0 "[ . 1 . 2]" 2
165 1 25 SER HA 1 27 VAL H 1.800 . 5.000 3.861 3.112 4.838 . 0 0 "[ . 1 . 2]" 2
166 1 34 ALA HA 1 36 ALA H 1.800 . 5.000 4.248 3.307 5.007 0.007 10 0 "[ . 1 . 2]" 2
167 1 48 ASP HA 1 50 ASN H 1.800 . 5.000 4.588 3.348 5.036 0.036 11 0 "[ . 1 . 2]" 2
168 1 49 ASP HA 1 51 GLY H 1.800 . 5.000 4.178 3.512 5.008 0.008 1 0 "[ . 1 . 2]" 2
169 1 50 ASN HA 1 52 ILE H 1.800 . 5.000 4.543 4.104 4.971 . 0 0 "[ . 1 . 2]" 2
170 1 53 ILE HA 1 55 ASP H 1.800 . 4.000 3.786 3.373 4.002 0.002 4 0 "[ . 1 . 2]" 2
171 1 64 GLY QA 1 66 ALA H 1.800 . 5.000 3.950 3.214 4.942 . 0 0 "[ . 1 . 2]" 2
172 1 70 SER HA 1 72 LEU H 1.800 . 5.000 4.420 3.859 4.881 . 0 0 "[ . 1 . 2]" 2
173 1 74 THR HA 1 76 TRP H 1.800 . 5.000 3.947 3.623 4.680 . 0 0 "[ . 1 . 2]" 2
174 1 78 LYS HA 1 80 LYS H 1.800 . 4.000 3.730 3.409 3.998 . 0 0 "[ . 1 . 2]" 2
175 1 81 SER HA 1 83 GLU H 1.800 . 5.000 4.064 3.622 4.494 . 0 0 "[ . 1 . 2]" 2
176 1 84 GLU HA 1 86 GLY H 1.800 . 5.000 4.136 3.625 4.526 . 0 0 "[ . 1 . 2]" 2
177 1 86 GLY QA 1 88 ILE H 1.800 . 5.000 4.230 3.422 4.487 . 0 0 "[ . 1 . 2]" 2
178 1 85 ALA HA 1 87 ALA H 1.800 . 5.000 3.775 3.478 5.025 0.025 10 0 "[ . 1 . 2]" 2
179 1 89 LYS HA 1 91 SER H 1.800 . 5.000 4.267 3.727 4.930 . 0 0 "[ . 1 . 2]" 2
180 1 108 ILE HA 1 110 ALA H 1.800 . 5.000 4.473 4.190 5.002 0.002 15 0 "[ . 1 . 2]" 2
181 1 121 TYR HA 1 123 ALA H 1.800 . 5.000 4.183 3.577 4.889 . 0 0 "[ . 1 . 2]" 2
182 1 126 GLY QA 1 128 GLU H 1.800 . 4.000 3.488 2.830 3.979 . 0 0 "[ . 1 . 2]" 2
183 1 70 SER HA 1 73 ILE H 1.800 . 5.000 4.192 3.759 4.661 . 0 0 "[ . 1 . 2]" 2
184 1 71 SER HA 1 74 THR H 1.800 . 5.000 3.992 3.650 4.422 . 0 0 "[ . 1 . 2]" 2
185 1 72 LEU HA 1 75 GLU H 1.800 . 5.000 3.476 3.218 3.787 . 0 0 "[ . 1 . 2]" 2
186 1 73 ILE HA 1 76 TRP H 1.800 . 4.000 3.233 2.852 3.567 . 0 0 "[ . 1 . 2]" 2
187 1 74 THR HA 1 77 VAL H 1.800 . 5.000 3.598 3.376 3.863 . 0 0 "[ . 1 . 2]" 2
188 1 77 VAL HA 1 80 LYS H 1.800 . 4.000 3.792 3.398 4.004 0.004 1 0 "[ . 1 . 2]" 2
189 1 82 LEU HA 1 85 ALA H 1.800 . 4.000 3.314 2.932 3.659 . 0 0 "[ . 1 . 2]" 2
190 1 83 GLU HA 1 86 GLY H 1.800 . 4.000 3.803 3.194 4.012 0.012 6 0 "[ . 1 . 2]" 2
191 1 85 ALA HA 1 88 ILE H 1.800 . 4.000 3.744 3.291 4.003 0.003 1 0 "[ . 1 . 2]" 2
192 1 90 ASN HA 1 93 ILE H 1.800 . 5.000 3.469 2.942 4.015 . 0 0 "[ . 1 . 2]" 2
193 1 91 SER HA 1 94 ALA H 1.800 . 5.000 3.590 2.910 3.900 . 0 0 "[ . 1 . 2]" 2
194 1 92 GLN HA 1 95 GLU H 1.800 . 4.000 3.491 3.098 3.898 . 0 0 "[ . 1 . 2]" 2
195 1 93 ILE HA 1 96 GLU H 1.800 . 5.000 3.397 3.079 3.764 . 0 0 "[ . 1 . 2]" 2
196 1 95 GLU HA 1 98 GLU H 1.800 . 5.000 3.477 2.959 3.941 . 0 0 "[ . 1 . 2]" 2
197 1 101 PRO HA 1 104 VAL H 1.800 . 5.000 3.567 2.790 4.360 . 0 0 "[ . 1 . 2]" 2
198 1 104 VAL HA 1 107 SER H 1.800 . 5.000 3.558 2.935 4.202 . 0 0 "[ . 1 . 2]" 2
199 1 105 HIS HA 1 108 ILE H 1.800 . 5.000 3.696 3.294 4.437 . 0 0 "[ . 1 . 2]" 2
200 1 106 CYS HA 1 109 LEU H 1.800 . 5.000 3.697 3.275 4.080 . 0 0 "[ . 1 . 2]" 2
201 1 108 ILE HA 1 111 GLU H 1.800 . 4.000 3.617 3.400 3.890 . 0 0 "[ . 1 . 2]" 2
202 1 110 ALA HA 1 113 ALA H 1.800 . 5.000 3.694 3.236 4.142 . 0 0 "[ . 1 . 2]" 2
203 1 112 ASP HA 1 115 LYS H 1.800 . 4.000 3.570 3.385 3.861 . 0 0 "[ . 1 . 2]" 2
204 1 113 ALA HA 1 116 ALA H 1.800 . 4.000 3.337 3.029 3.754 . 0 0 "[ . 1 . 2]" 2
205 1 114 ILE HA 1 117 ALA H 1.800 . 4.000 3.761 3.481 3.963 . 0 0 "[ . 1 . 2]" 2
206 1 116 ALA HA 1 119 ALA H 1.800 . 4.000 3.590 3.361 3.827 . 0 0 "[ . 1 . 2]" 2
207 1 117 ALA HA 1 120 ASP H 1.800 . 5.000 3.467 3.109 3.845 . 0 0 "[ . 1 . 2]" 2
208 1 118 ILE HA 1 121 TYR H 1.800 . 5.000 3.538 3.137 3.979 . 0 0 "[ . 1 . 2]" 2
209 1 119 ALA HA 1 122 LYS H 1.800 . 5.000 3.589 3.056 4.139 . 0 0 "[ . 1 . 2]" 2
210 1 120 ASP HA 1 123 ALA H 1.800 . 4.000 3.555 3.104 3.999 . 0 0 "[ . 1 . 2]" 2
211 1 121 TYR HA 1 124 LYS H 1.800 . 4.000 3.843 3.254 4.026 0.026 5 0 "[ . 1 . 2]" 2
212 1 122 LYS HA 1 125 GLN H 1.800 . 5.000 3.865 2.830 5.000 0.000 18 0 "[ . 1 . 2]" 2
213 1 123 ALA HA 1 126 GLY H 1.800 . 5.000 4.238 2.806 4.987 . 0 0 "[ . 1 . 2]" 2
214 1 35 PRO HA 1 39 ASP H 1.800 . 5.000 4.656 4.226 5.009 0.009 10 0 "[ . 1 . 2]" 2
215 1 82 LEU HA 1 86 GLY H 1.800 . 5.000 3.732 3.398 4.299 . 0 0 "[ . 1 . 2]" 2
216 1 90 ASN HA 1 94 ALA H 1.800 . 5.000 4.073 3.770 4.528 . 0 0 "[ . 1 . 2]" 2
217 1 104 VAL HA 1 108 ILE H 1.800 . 5.000 4.494 4.113 4.932 . 0 0 "[ . 1 . 2]" 2
218 1 107 SER HA 1 111 GLU H 1.800 . 5.000 4.430 4.114 4.607 . 0 0 "[ . 1 . 2]" 2
219 1 115 LYS HA 1 119 ALA H 1.800 . 5.000 4.108 3.714 4.554 . 0 0 "[ . 1 . 2]" 2
220 1 118 ILE HA 1 122 LYS H 1.800 . 5.000 4.088 3.635 4.523 . 0 0 "[ . 1 . 2]" 2
221 1 22 LYS QB 1 23 LYS H 1.800 . 4.000 3.295 2.611 4.010 0.010 7 0 "[ . 1 . 2]" 2
222 1 23 LYS QB 1 24 ASP H 1.800 . 4.000 3.615 2.991 3.960 . 0 0 "[ . 1 . 2]" 2
223 1 24 ASP QB 1 25 SER H 1.800 . 4.000 2.909 1.798 3.792 0.002 10 0 "[ . 1 . 2]" 2
224 1 25 SER QB 1 26 ASN H 1.800 . 4.000 3.569 3.297 3.964 . 0 0 "[ . 1 . 2]" 2
225 1 26 ASN QB 1 27 VAL H 1.800 . 5.000 3.697 3.324 3.950 . 0 0 "[ . 1 . 2]" 2
226 1 29 THR HB 1 30 GLY H 1.800 . 5.000 4.005 3.425 4.502 . 0 0 "[ . 1 . 2]" 2
227 1 31 MET QB 1 32 VAL H 1.800 . 4.000 3.636 2.761 4.002 0.002 1 0 "[ . 1 . 2]" 2
228 1 32 VAL HB 1 33 GLY H 1.800 . 3.000 2.593 2.089 3.020 0.020 19 0 "[ . 1 . 2]" 2
229 1 35 PRO QB 1 36 ALA H 1.800 . 5.000 3.026 2.304 3.972 . 0 0 "[ . 1 . 2]" 2
230 1 36 ALA MB 1 37 CYS H 1.800 . 4.000 2.421 1.802 3.095 . 0 0 "[ . 1 . 2]" 2
231 1 37 CYS QB 1 38 GLY H 1.800 . 5.000 3.475 2.675 4.014 . 0 0 "[ . 1 . 2]" 2
232 1 41 MET QB 1 42 GLN H 1.800 . 5.000 3.688 3.409 3.912 . 0 0 "[ . 1 . 2]" 2
233 1 42 GLN QB 1 43 LEU H 1.800 . 5.000 3.837 3.201 4.016 . 0 0 "[ . 1 . 2]" 2
234 1 43 LEU QB 1 44 GLN H 1.800 . 5.000 3.682 3.432 3.926 . 0 0 "[ . 1 . 2]" 2
235 1 45 ILE HB 1 46 LYS H 1.800 . 5.000 3.035 2.686 3.712 . 0 0 "[ . 1 . 2]" 2
236 1 47 VAL HB 1 48 ASP H 1.800 . 5.000 4.020 3.369 4.534 . 0 0 "[ . 1 . 2]" 2
237 1 48 ASP HB2 1 49 ASP H 1.800 . 4.000 3.094 1.891 3.616 . 0 0 "[ . 1 . 2]" 2
238 1 48 ASP HB3 1 49 ASP H 1.800 . 4.000 2.492 1.796 3.505 0.004 13 0 "[ . 1 . 2]" 2
239 1 49 ASP QB 1 50 ASN H 1.800 . 4.000 3.567 2.955 4.002 0.002 16 0 "[ . 1 . 2]" 2
240 1 50 ASN HB2 1 51 GLY H 1.800 . 5.000 3.857 3.042 4.282 . 0 0 "[ . 1 . 2]" 2
241 1 50 ASN HB3 1 51 GLY H 1.800 . 5.000 4.492 3.920 4.679 . 0 0 "[ . 1 . 2]" 2
242 1 54 GLU QB 1 55 ASP H 1.800 . 4.000 2.748 2.223 3.602 . 0 0 "[ . 1 . 2]" 2
243 1 55 ASP HB2 1 56 ALA H 1.800 . 4.000 3.595 2.351 4.032 0.032 6 0 "[ . 1 . 2]" 2
244 1 55 ASP HB3 1 56 ALA H 1.800 . 4.000 3.135 2.152 3.964 . 0 0 "[ . 1 . 2]" 2
245 1 56 ALA MB 1 57 LYS H 1.800 . 5.000 3.149 2.655 3.369 . 0 0 "[ . 1 . 2]" 2
246 1 57 LYS QB 1 58 PHE H 1.800 . 5.000 3.130 2.479 3.746 . 0 0 "[ . 1 . 2]" 2
247 1 58 PHE HB2 1 59 LYS H 1.800 . 5.000 2.538 2.175 3.146 . 0 0 "[ . 1 . 2]" 2
248 1 58 PHE HB3 1 59 LYS H 1.800 . 5.000 3.788 3.379 4.126 . 0 0 "[ . 1 . 2]" 2
249 1 78 LYS QB 1 79 GLY H 1.800 . 5.000 3.911 3.602 4.066 . 0 0 "[ . 1 . 2]" 2
250 1 80 LYS QB 1 81 SER H 1.800 . 4.000 2.090 1.810 2.458 . 0 0 "[ . 1 . 2]" 2
251 1 81 SER QB 1 82 LEU H 1.800 . 4.000 2.844 2.194 3.628 . 0 0 "[ . 1 . 2]" 2
252 1 82 LEU HB2 1 83 GLU H 1.800 . 4.000 3.027 2.781 3.254 . 0 0 "[ . 1 . 2]" 2
253 1 82 LEU HB3 1 83 GLU H 1.800 . 4.000 3.867 3.622 4.021 0.021 3 0 "[ . 1 . 2]" 2
254 1 83 GLU QB 1 84 GLU H 1.800 . 4.000 2.800 2.319 3.654 . 0 0 "[ . 1 . 2]" 2
255 1 84 GLU QB 1 85 ALA H 1.800 . 4.000 2.535 2.156 2.881 . 0 0 "[ . 1 . 2]" 2
256 1 85 ALA MB 1 86 GLY H 1.800 . 4.000 2.810 2.483 3.392 . 0 0 "[ . 1 . 2]" 2
257 1 87 ALA MB 1 88 ILE H 1.800 . 4.000 2.745 2.482 3.518 . 0 0 "[ . 1 . 2]" 2
258 1 89 LYS QB 1 90 ASN H 1.800 . 5.000 2.590 1.963 3.385 . 0 0 "[ . 1 . 2]" 2
259 1 91 SER QB 1 92 GLN H 1.800 . 4.000 2.925 2.266 3.514 . 0 0 "[ . 1 . 2]" 2
260 1 92 GLN HB2 1 93 ILE H 1.800 . 4.000 2.913 1.889 3.838 . 0 0 "[ . 1 . 2]" 2
261 1 92 GLN HB3 1 93 ILE H 1.800 . 4.000 2.685 2.002 3.499 . 0 0 "[ . 1 . 2]" 2
262 1 94 ALA MB 1 95 GLU H 1.800 . 4.000 2.635 2.010 3.086 . 0 0 "[ . 1 . 2]" 2
263 1 96 GLU QB 1 97 LEU H 1.800 . 4.000 2.558 1.944 2.957 . 0 0 "[ . 1 . 2]" 2
264 1 97 LEU QB 1 98 GLU H 1.800 . 5.000 3.057 2.691 3.391 . 0 0 "[ . 1 . 2]" 2
265 1 101 PRO QB 1 102 VAL H 1.800 . 5.000 3.319 2.163 3.849 . 0 0 "[ . 1 . 2]" 2
266 1 102 VAL HB 1 103 LYS H 1.800 . 5.000 3.653 1.780 4.548 0.020 12 0 "[ . 1 . 2]" 2
267 1 103 LYS QB 1 104 VAL H 1.800 . 5.000 3.658 2.692 4.063 . 0 0 "[ . 1 . 2]" 2
268 1 106 CYS QB 1 107 SER H 1.800 . 5.000 2.296 1.875 2.706 . 0 0 "[ . 1 . 2]" 2
269 1 108 ILE HB 1 109 LEU H 1.800 . 4.000 2.701 2.116 3.616 . 0 0 "[ . 1 . 2]" 2
270 1 109 LEU QB 1 110 ALA H 1.800 . 4.000 2.582 2.172 2.843 . 0 0 "[ . 1 . 2]" 2
271 1 110 ALA MB 1 111 GLU H 1.800 . 3.000 2.332 2.103 2.582 . 0 0 "[ . 1 . 2]" 2
272 1 111 GLU QB 1 112 ASP H 1.800 . 5.000 2.328 1.895 2.772 . 0 0 "[ . 1 . 2]" 2
273 1 112 ASP HB2 1 113 ALA H 1.800 . 4.000 3.474 2.798 4.018 0.018 16 0 "[ . 1 . 2]" 2
274 1 112 ASP HB3 1 113 ALA H 1.800 . 4.000 3.169 2.249 4.011 0.011 3 0 "[ . 1 . 2]" 2
275 1 113 ALA MB 1 114 ILE H 1.800 . 5.000 2.252 2.024 2.555 . 0 0 "[ . 1 . 2]" 2
276 1 116 ALA MB 1 117 ALA H 1.800 . 4.000 2.443 2.085 2.758 . 0 0 "[ . 1 . 2]" 2
277 1 117 ALA MB 1 118 ILE H 1.800 . 4.000 2.363 1.987 2.686 . 0 0 "[ . 1 . 2]" 2
278 1 118 ILE HB 1 119 ALA H 1.800 . 4.000 2.667 2.388 3.097 . 0 0 "[ . 1 . 2]" 2
279 1 119 ALA MB 1 120 ASP H 1.800 . 4.000 2.483 2.250 2.779 . 0 0 "[ . 1 . 2]" 2
280 1 120 ASP QB 1 121 TYR H 1.800 . 4.000 2.814 2.237 3.326 . 0 0 "[ . 1 . 2]" 2
281 1 121 TYR HB2 1 122 LYS H 1.800 . 5.000 3.901 3.573 4.205 . 0 0 "[ . 1 . 2]" 2
282 1 121 TYR HB3 1 122 LYS H 1.800 . 5.000 2.536 2.110 2.985 . 0 0 "[ . 1 . 2]" 2
283 1 122 LYS QB 1 123 ALA H 1.800 . 4.000 2.952 2.469 3.568 . 0 0 "[ . 1 . 2]" 2
284 1 123 ALA MB 1 124 LYS H 1.800 . 4.000 2.733 2.209 3.378 . 0 0 "[ . 1 . 2]" 2
285 1 125 GLN QB 1 126 GLY H 1.800 . 5.000 3.106 1.813 4.052 . 0 0 "[ . 1 . 2]" 2
286 1 127 LEU QB 1 128 GLU H 1.800 . 5.000 3.480 2.406 3.921 . 0 0 "[ . 1 . 2]" 2
287 1 23 LYS QG 1 24 ASP H 1.800 . 5.000 4.439 3.831 4.862 . 0 0 "[ . 1 . 2]" 2
288 1 27 VAL QG 1 28 GLY H 1.800 . 5.000 2.971 2.323 3.352 . 0 0 "[ . 1 . 2]" 2
289 1 29 THR MG 1 30 GLY H 1.800 . 5.000 2.413 1.861 3.217 . 0 0 "[ . 1 . 2]" 2
290 1 31 MET QG 1 32 VAL H 1.800 . 5.000 2.965 2.106 4.074 . 0 0 "[ . 1 . 2]" 2
291 1 32 VAL QG 1 33 GLY H 1.800 . 5.000 3.106 2.584 3.404 . 0 0 "[ . 1 . 2]" 2
292 1 35 PRO QG 1 36 ALA H 1.800 . 5.000 2.793 1.780 4.923 0.020 11 0 "[ . 1 . 2]" 2
293 1 40 VAL QG 1 41 MET H 1.800 . 5.000 3.151 2.366 3.695 . 0 0 "[ . 1 . 2]" 2
294 1 41 MET HG2 1 42 GLN H 1.800 . 5.000 3.219 1.989 4.009 . 0 0 "[ . 1 . 2]" 2
295 1 41 MET HG3 1 42 GLN H 1.800 . 5.000 2.701 1.837 4.697 . 0 0 "[ . 1 . 2]" 2
296 1 42 GLN QG 1 43 LEU H 1.800 . 5.000 2.960 2.291 4.291 . 0 0 "[ . 1 . 2]" 2
297 1 43 LEU HG 1 44 GLN H 1.800 . 4.000 2.532 1.826 3.075 . 0 0 "[ . 1 . 2]" 2
298 1 43 LEU QD 1 44 GLN H 1.800 . 5.000 3.182 2.346 3.692 . 0 0 "[ . 1 . 2]" 2
299 1 45 ILE MG 1 46 LYS H 1.800 . 5.000 3.611 2.108 3.982 . 0 0 "[ . 1 . 2]" 2
300 1 45 ILE MD 1 46 LYS H 1.800 . 5.000 4.344 3.538 4.902 . 0 0 "[ . 1 . 2]" 2
301 1 46 LYS QG 1 47 VAL H 1.800 . 5.000 2.543 1.869 3.664 . 0 0 "[ . 1 . 2]" 2
302 1 46 LYS QD 1 47 VAL H 1.800 . 5.000 4.458 3.909 5.019 0.019 8 0 "[ . 1 . 2]" 2
303 1 47 VAL MG1 1 48 ASP H 1.800 . 4.000 2.461 1.997 3.140 . 0 0 "[ . 1 . 2]" 2
304 1 47 VAL MG2 1 48 ASP H 1.800 . 5.000 4.046 3.663 4.353 . 0 0 "[ . 1 . 2]" 2
305 1 52 ILE MG 1 53 ILE H 1.800 . 5.000 2.291 1.830 2.873 . 0 0 "[ . 1 . 2]" 2
306 1 52 ILE MD 1 53 ILE H 1.800 . 5.000 3.587 3.177 3.949 . 0 0 "[ . 1 . 2]" 2
307 1 53 ILE MG 1 54 GLU H 1.800 . 5.000 3.242 2.642 3.600 . 0 0 "[ . 1 . 2]" 2
308 1 54 GLU QG 1 55 ASP H 1.800 . 5.000 3.678 1.968 4.517 . 0 0 "[ . 1 . 2]" 2
309 1 60 THR MG 1 61 TYR H 1.800 . 5.000 4.005 2.953 4.335 . 0 0 "[ . 1 . 2]" 2
310 1 78 LYS QG 1 79 GLY H 1.800 . 5.000 3.383 2.757 3.870 . 0 0 "[ . 1 . 2]" 2
311 1 88 ILE MG 1 89 LYS H 1.800 . 5.000 3.688 2.984 4.233 . 0 0 "[ . 1 . 2]" 2
312 1 89 LYS QG 1 90 ASN H 1.800 . 5.000 3.428 1.799 4.401 0.001 15 0 "[ . 1 . 2]" 2
313 1 89 LYS QD 1 90 ASN H 1.800 . 5.000 4.431 3.498 4.938 . 0 0 "[ . 1 . 2]" 2
314 1 93 ILE MG 1 94 ALA H 1.800 . 5.000 3.297 1.804 3.920 . 0 0 "[ . 1 . 2]" 2
315 1 96 GLU QG 1 97 LEU H 1.800 . 5.000 4.045 3.094 4.704 . 0 0 "[ . 1 . 2]" 2
316 1 114 ILE MG 1 115 LYS H 1.800 . 3.000 1.902 1.796 2.143 0.004 2 0 "[ . 1 . 2]" 2
317 1 23 LYS H 1 24 ASP QB 1.800 . 5.000 4.143 3.376 4.999 . 0 0 "[ . 1 . 2]" 2
318 1 26 ASN H 1 27 VAL HB 1.800 . 5.000 4.153 3.784 4.757 . 0 0 "[ . 1 . 2]" 2
319 1 26 ASN H 1 27 VAL MG2 1.800 . 5.000 3.447 2.608 4.448 . 0 0 "[ . 1 . 2]" 2
320 1 31 MET H 1 32 VAL MG1 1.800 . 5.000 3.870 3.249 4.700 . 0 0 "[ . 1 . 2]" 2
321 1 51 GLY H 1 52 ILE QG 1.800 . 5.000 3.976 3.401 4.557 . 0 0 "[ . 1 . 2]" 2
322 1 59 LYS H 1 60 THR MG 1.800 . 5.000 3.455 2.795 4.675 . 0 0 "[ . 1 . 2]" 2
323 1 76 TRP H 1 77 VAL QG 1.800 . 5.000 3.215 2.999 3.504 . 0 0 "[ . 1 . 2]" 2
324 1 77 VAL H 1 78 LYS QB 1.800 . 4.000 3.803 3.597 3.979 . 0 0 "[ . 1 . 2]" 2
325 1 79 GLY H 1 80 LYS QG 1.800 . 5.000 4.489 3.850 4.994 . 0 0 "[ . 1 . 2]" 2
326 1 84 GLU H 1 85 ALA MB 1.800 . 5.000 4.134 3.839 4.368 . 0 0 "[ . 1 . 2]" 2
327 1 86 GLY H 1 87 ALA MB 1.800 . 5.000 3.874 3.690 4.040 . 0 0 "[ . 1 . 2]" 2
328 1 87 ALA H 1 88 ILE HB 1.800 . 5.000 4.981 4.512 5.073 0.073 19 0 "[ . 1 . 2]" 2
329 1 87 ALA H 1 88 ILE MG 1.800 . 5.000 3.840 3.312 4.338 . 0 0 "[ . 1 . 2]" 2
330 1 93 ILE H 1 94 ALA MB 1.800 . 5.000 4.391 4.073 4.639 . 0 0 "[ . 1 . 2]" 2
331 1 98 GLU H 1 99 LEU QD 1.800 . 5.000 3.155 2.280 4.137 . 0 0 "[ . 1 . 2]" 2
332 1 107 SER H 1 108 ILE HB 1.800 . 5.000 4.865 4.678 5.013 0.013 8 0 "[ . 1 . 2]" 2
333 1 112 ASP H 1 113 ALA MB 1.800 . 5.000 4.443 4.186 4.668 . 0 0 "[ . 1 . 2]" 2
334 1 114 ILE H 1 115 LYS QB 1.800 . 5.000 4.600 4.452 4.790 . 0 0 "[ . 1 . 2]" 2
335 1 117 ALA H 1 118 ILE HB 1.800 . 5.000 4.831 4.487 5.005 0.005 17 0 "[ . 1 . 2]" 2
336 1 118 ILE H 1 119 ALA MB 1.800 . 5.000 4.419 4.202 4.639 . 0 0 "[ . 1 . 2]" 2
337 1 24 ASP QB 1 26 ASN H 1.800 . 4.000 2.775 2.087 4.024 0.024 5 0 "[ . 1 . 2]" 2
338 1 25 SER QB 1 27 VAL H 1.800 . 5.000 4.820 4.022 5.012 0.012 15 0 "[ . 1 . 2]" 2
339 1 34 ALA MB 1 36 ALA H 1.800 . 5.000 3.355 2.726 3.816 . 0 0 "[ . 1 . 2]" 2
340 1 36 ALA MB 1 38 GLY H 1.800 . 5.000 3.975 2.960 4.526 . 0 0 "[ . 1 . 2]" 2
341 1 37 CYS QB 1 39 ASP H 1.800 . 5.000 3.734 2.449 5.023 0.023 20 0 "[ . 1 . 2]" 2
342 1 48 ASP QB 1 50 ASN H 1.800 . 4.000 3.209 2.589 4.056 0.056 7 0 "[ . 1 . 2]" 2
343 1 50 ASN HB2 1 52 ILE H 1.800 . 4.000 3.604 3.051 3.950 . 0 0 "[ . 1 . 2]" 2
344 1 84 GLU QB 1 86 GLY H 1.800 . 5.000 4.488 4.135 4.769 . 0 0 "[ . 1 . 2]" 2
345 1 27 VAL QG 1 29 THR H 1.800 . 5.000 4.483 3.565 5.000 . 16 0 "[ . 1 . 2]" 2
346 1 53 ILE MG 1 55 ASP H 1.800 . 5.000 2.762 2.159 3.238 . 0 0 "[ . 1 . 2]" 2
347 1 73 ILE MG 1 75 GLU H 1.800 . 5.000 4.021 3.711 4.306 . 0 0 "[ . 1 . 2]" 2
348 1 104 VAL MG1 1 106 CYS H 1.800 . 5.000 4.739 4.287 5.024 0.024 11 0 "[ . 1 . 2]" 2
349 1 114 ILE MG 1 116 ALA H 1.800 . 5.000 4.213 3.944 4.688 . 0 0 "[ . 1 . 2]" 2
350 1 21 ASP QB 1 24 ASP H 1.800 . 5.000 3.810 2.509 4.918 . 0 0 "[ . 1 . 2]" 2
351 1 24 ASP QB 1 27 VAL H 1.800 . 5.000 3.623 2.524 5.019 0.019 10 0 "[ . 1 . 2]" 2
352 1 34 ALA MB 1 37 CYS H 1.800 . 4.000 2.820 2.320 3.770 . 0 0 "[ . 1 . 2]" 2
353 1 89 LYS QB 1 92 GLN H 1.800 . 5.000 2.964 2.511 3.560 . 0 0 "[ . 1 . 2]" 2
354 1 53 ILE MG 1 56 ALA H 1.800 . 5.000 4.186 3.840 4.648 . 0 0 "[ . 1 . 2]" 2
355 1 72 LEU HG 1 75 GLU H 1.800 . 5.000 4.901 4.691 5.022 0.022 7 0 "[ . 1 . 2]" 2
356 1 89 LYS QD 1 92 GLN H 1.800 . 5.000 4.493 3.144 5.008 0.008 13 0 "[ . 1 . 2]" 2
357 1 104 VAL MG1 1 107 SER H 1.800 . 5.000 4.100 3.280 4.840 . 0 0 "[ . 1 . 2]" 2
358 1 34 ALA MB 1 38 GLY H 1.800 . 5.000 3.468 2.140 4.025 . 0 0 "[ . 1 . 2]" 2
359 1 81 SER QB 1 85 ALA H 1.800 . 5.000 4.653 4.331 4.947 . 0 0 "[ . 1 . 2]" 2
360 1 101 PRO QB 1 104 VAL H 1.800 . 5.000 4.653 3.423 5.017 0.017 7 0 "[ . 1 . 2]" 2
361 1 47 VAL MG1 1 51 GLY H 1.800 . 5.000 2.726 2.167 3.750 . 0 0 "[ . 1 . 2]" 2
362 1 82 LEU MD2 1 86 GLY H 1.800 . 5.000 4.642 4.114 5.007 0.007 20 0 "[ . 1 . 2]" 2
363 1 93 ILE MG 1 97 LEU H 1.800 . 5.000 3.928 3.473 4.806 . 0 0 "[ . 1 . 2]" 2
364 1 118 ILE MG 1 122 LYS H 1.800 . 5.000 3.815 3.237 4.153 . 0 0 "[ . 1 . 2]" 2
365 1 72 LEU HA 1 75 GLU QB 1.800 . 5.000 2.841 2.516 3.254 . 0 0 "[ . 1 . 2]" 2
366 1 73 ILE HA 1 76 TRP QB 1.800 . 5.000 2.285 2.023 2.726 . 0 0 "[ . 1 . 2]" 2
367 1 75 GLU HA 1 78 LYS QB 1.800 . 5.000 2.812 2.218 3.488 . 0 0 "[ . 1 . 2]" 2
368 1 77 VAL HA 1 80 LYS QB 1.800 . 5.000 2.545 2.176 3.129 . 0 0 "[ . 1 . 2]" 2
369 1 82 LEU HA 1 85 ALA MB 1.800 . 5.000 2.621 2.194 3.049 . 0 0 "[ . 1 . 2]" 2
370 1 84 GLU HA 1 87 ALA MB 1.800 . 5.000 3.038 2.445 4.116 . 0 0 "[ . 1 . 2]" 2
371 1 91 SER HA 1 94 ALA MB 1.800 . 5.000 2.458 2.071 3.077 . 0 0 "[ . 1 . 2]" 2
372 1 92 GLN HA 1 95 GLU QB 1.800 . 5.000 2.861 2.416 3.457 . 0 0 "[ . 1 . 2]" 2
373 1 101 PRO HA 1 104 VAL HB 1.800 . 5.000 4.034 2.204 5.028 0.028 4 0 "[ . 1 . 2]" 2
374 1 107 SER HA 1 110 ALA MB 1.800 . 5.000 2.718 2.295 3.110 . 0 0 "[ . 1 . 2]" 2
375 1 110 ALA HA 1 113 ALA MB 1.800 . 5.000 2.666 2.206 3.079 . 0 0 "[ . 1 . 2]" 2
376 1 113 ALA HA 1 116 ALA MB 1.800 . 5.000 2.542 2.231 3.029 . 0 0 "[ . 1 . 2]" 2
377 1 114 ILE HA 1 117 ALA MB 1.800 . 5.000 2.980 2.350 3.587 . 0 0 "[ . 1 . 2]" 2
378 1 116 ALA HA 1 119 ALA MB 1.800 . 5.000 2.637 2.332 2.942 . 0 0 "[ . 1 . 2]" 2
379 1 120 ASP HA 1 123 ALA MB 1.800 . 5.000 2.449 2.035 3.171 . 0 0 "[ . 1 . 2]" 2
380 1 70 SER HA 1 73 ILE MG 1.800 . 5.000 2.206 1.964 2.548 . 0 0 "[ . 1 . 2]" 2
381 1 74 THR HA 1 77 VAL QG 1.800 . 5.000 2.266 1.957 2.549 . 0 0 "[ . 1 . 2]" 2
382 1 85 ALA HA 1 88 ILE MD 1.800 . 5.000 2.319 2.150 2.621 . 0 0 "[ . 1 . 2]" 2
383 1 90 ASN HA 1 93 ILE MD 1.800 . 5.000 3.007 2.246 5.004 0.004 19 0 "[ . 1 . 2]" 2
384 1 101 PRO HA 1 104 VAL MG1 1.800 . 5.000 3.962 3.207 4.711 . 0 0 "[ . 1 . 2]" 2
385 1 101 PRO HA 1 104 VAL MG2 1.800 . 5.000 2.695 1.928 4.712 . 0 0 "[ . 1 . 2]" 2
386 1 105 HIS HA 1 108 ILE MG 1.800 . 5.000 3.721 2.438 4.721 . 0 0 "[ . 1 . 2]" 2
387 1 105 HIS HA 1 108 ILE MD 1.800 . 5.000 2.975 2.121 4.830 . 0 0 "[ . 1 . 2]" 2
388 1 106 CYS HA 1 109 LEU MD1 1.800 . 5.000 3.780 3.010 4.483 . 0 0 "[ . 1 . 2]" 2
389 1 106 CYS HA 1 109 LEU MD2 1.800 . 5.000 3.381 2.575 4.002 . 0 0 "[ . 1 . 2]" 2
390 1 111 GLU HA 1 114 ILE MG 1.800 . 5.000 2.974 2.499 3.229 . 0 0 "[ . 1 . 2]" 2
391 1 111 GLU HA 1 114 ILE MD 1.800 . 5.000 4.794 4.421 5.010 0.010 9 0 "[ . 1 . 2]" 2
392 1 115 LYS HA 1 118 ILE MG 1.800 . 5.000 4.024 3.429 4.646 . 0 0 "[ . 1 . 2]" 2
393 1 115 LYS HA 1 118 ILE MD 1.800 . 5.000 2.621 2.120 3.396 . 0 0 "[ . 1 . 2]" 2
394 1 28 GLY H 1 45 ILE H 1.800 . 5.000 3.639 2.706 4.360 . 0 0 "[ . 1 . 2]" 2
395 1 29 THR H 1 120 ASP H 1.800 . 5.000 4.790 4.450 5.010 0.010 15 0 "[ . 1 . 2]" 2
396 1 30 GLY H 1 43 LEU H 1.800 . 4.000 3.645 3.142 4.003 0.003 20 0 "[ . 1 . 2]" 2
397 1 31 MET H 1 43 LEU H 1.800 . 5.000 4.923 4.683 5.023 0.023 5 0 "[ . 1 . 2]" 2
398 1 32 VAL H 1 41 MET H 1.800 . 4.000 3.694 3.104 3.998 . 0 0 "[ . 1 . 2]" 2
399 1 32 VAL H 1 43 LEU H 1.800 . 5.000 4.485 3.875 4.854 . 0 0 "[ . 1 . 2]" 2
400 1 33 GLY H 1 41 MET H 1.800 . 5.000 4.799 4.212 5.011 0.011 12 0 "[ . 1 . 2]" 2
401 1 34 ALA H 1 39 ASP H 1.800 . 5.000 3.054 2.528 4.258 . 0 0 "[ . 1 . 2]" 2
402 1 34 ALA H 1 41 MET H 1.800 . 5.000 4.644 4.189 4.999 . 0 0 "[ . 1 . 2]" 2
403 1 42 GLN H 1 59 LYS H 1.800 . 4.000 3.477 2.820 3.980 . 0 0 "[ . 1 . 2]" 2
404 1 44 GLN H 1 57 LYS H 1.800 . 5.000 3.670 3.059 4.185 . 0 0 "[ . 1 . 2]" 2
405 1 46 LYS H 1 55 ASP H 1.800 . 4.000 3.645 3.225 4.008 0.008 6 0 "[ . 1 . 2]" 2
406 1 48 ASP H 1 51 GLY H 1.800 . 5.000 4.113 3.431 4.908 . 0 0 "[ . 1 . 2]" 2
407 1 48 ASP H 1 52 ILE H 1.800 . 4.000 3.551 3.136 3.992 . 0 0 "[ . 1 . 2]" 2
408 1 48 ASP H 1 54 GLU H 1.800 . 4.000 3.114 2.116 3.665 . 0 0 "[ . 1 . 2]" 2
409 1 53 ILE H 1 80 LYS H 1.800 . 5.000 4.004 3.286 4.588 . 0 0 "[ . 1 . 2]" 2
410 1 81 SER H 1 84 GLU H 1.800 . 5.000 3.691 3.238 4.098 . 0 0 "[ . 1 . 2]" 2
411 1 81 SER H 1 85 ALA H 1.800 . 5.000 4.332 3.766 4.855 . 0 0 "[ . 1 . 2]" 2
412 1 92 GLN H 1 95 GLU H 1.800 . 5.000 4.706 4.475 4.996 . 0 0 "[ . 1 . 2]" 2
413 1 27 VAL HA 1 47 VAL H 1.800 . 4.000 3.380 2.677 3.818 . 0 0 "[ . 1 . 2]" 2
414 1 28 GLY QA 1 121 TYR H 1.800 . 5.000 3.293 2.560 3.886 . 0 0 "[ . 1 . 2]" 2
415 1 29 THR HA 1 45 ILE H 1.800 . 5.000 3.596 2.959 4.270 . 0 0 "[ . 1 . 2]" 2
416 1 30 GLY QA 1 117 ALA H 1.800 . 5.000 2.841 2.200 3.541 . 0 0 "[ . 1 . 2]" 2
417 1 31 MET HA 1 43 LEU H 1.800 . 4.000 3.262 2.667 3.528 . 0 0 "[ . 1 . 2]" 2
418 1 33 GLY QA 1 41 MET H 1.800 . 5.000 2.825 2.357 3.349 . 0 0 "[ . 1 . 2]" 2
419 1 34 ALA HA 1 39 ASP H 1.800 . 5.000 4.851 4.061 5.032 0.032 11 0 "[ . 1 . 2]" 2
420 1 41 MET HA 1 61 TYR H 1.800 . 5.000 4.202 2.973 4.787 . 0 0 "[ . 1 . 2]" 2
421 1 43 LEU HA 1 59 LYS H 1.800 . 4.000 3.772 3.311 4.001 0.001 15 0 "[ . 1 . 2]" 2
422 1 45 ILE HA 1 57 LYS H 1.800 . 4.000 3.403 3.004 3.769 . 0 0 "[ . 1 . 2]" 2
423 1 28 GLY H 1 121 TYR HA 1.800 . 5.000 4.917 4.300 5.019 0.019 5 0 "[ . 1 . 2]" 2
424 1 29 THR H 1 117 ALA HA 1.800 . 5.000 3.373 2.757 4.199 . 0 0 "[ . 1 . 2]" 2
425 1 29 THR H 1 121 TYR HA 1.800 . 5.000 4.795 4.283 5.015 0.015 9 0 "[ . 1 . 2]" 2
426 1 30 GLY H 1 44 GLN HA 1.800 . 5.000 3.111 2.759 3.748 . 0 0 "[ . 1 . 2]" 2
427 1 30 GLY H 1 117 ALA HA 1.800 . 5.000 3.797 2.757 4.739 . 0 0 "[ . 1 . 2]" 2
428 1 32 VAL H 1 42 GLN HA 1.800 . 4.000 3.373 2.942 3.660 . 0 0 "[ . 1 . 2]" 2
429 1 42 GLN H 1 60 THR HA 1.800 . 4.000 3.630 2.752 4.001 0.001 8 0 "[ . 1 . 2]" 2
430 1 44 GLN H 1 58 PHE HA 1.800 . 5.000 3.269 2.629 3.816 . 0 0 "[ . 1 . 2]" 2
431 1 46 LYS H 1 56 ALA HA 1.800 . 4.000 2.991 2.448 3.531 . 0 0 "[ . 1 . 2]" 2
432 1 48 ASP H 1 53 ILE HA 1.800 . 4.000 3.798 3.422 4.012 0.012 8 0 "[ . 1 . 2]" 2
433 1 53 ILE H 1 81 SER HA 1.800 . 4.000 3.266 2.708 3.798 . 0 0 "[ . 1 . 2]" 2
434 1 27 VAL HA 1 46 LYS HA 1.800 . 5.000 2.567 2.197 3.441 . 0 0 "[ . 1 . 2]" 2
435 1 29 THR HA 1 44 GLN HA 1.800 . 4.000 2.467 2.200 2.895 . 0 0 "[ . 1 . 2]" 2
436 1 31 MET HA 1 42 GLN HA 1.800 . 5.000 2.338 2.196 2.597 . 0 0 "[ . 1 . 2]" 2
437 1 39 ASP HA 1 62 GLY QA 1.800 . 4.000 3.423 2.497 4.068 0.068 20 0 "[ . 1 . 2]" 2
438 1 41 MET HA 1 60 THR HA 1.800 . 4.000 2.800 2.201 3.538 . 0 0 "[ . 1 . 2]" 2
439 1 43 LEU HA 1 58 PHE HA 1.800 . 4.000 2.611 2.248 2.993 . 0 0 "[ . 1 . 2]" 2
440 1 45 ILE HA 1 56 ALA HA 1.800 . 4.000 2.447 2.244 2.708 . 0 0 "[ . 1 . 2]" 2
441 1 47 VAL HA 1 53 ILE HA 1.800 . 4.000 2.525 2.193 2.903 . 0 0 "[ . 1 . 2]" 2
442 1 26 ASN HB2 1 47 VAL H 1.800 . 5.000 3.898 2.801 4.891 . 0 0 "[ . 1 . 2]" 2
443 1 26 ASN HB3 1 47 VAL H 1.800 . 5.000 3.984 2.934 4.879 . 0 0 "[ . 1 . 2]" 2
444 1 27 VAL MG1 1 45 ILE H 1.800 . 5.000 4.011 3.098 4.918 . 0 0 "[ . 1 . 2]" 2
445 1 27 VAL QG 1 47 VAL H 1.800 . 5.000 3.595 2.984 4.251 . 0 0 "[ . 1 . 2]" 2
446 1 29 THR MG 1 43 LEU H 1.800 . 5.000 4.532 4.180 4.911 . 0 0 "[ . 1 . 2]" 2
447 1 32 VAL QG 1 112 ASP H 1.800 . 5.000 4.640 4.272 5.006 0.006 20 0 "[ . 1 . 2]" 2
448 1 32 VAL QG 1 113 ALA H 1.800 . 5.000 3.336 2.799 3.713 . 0 0 "[ . 1 . 2]" 2
449 1 32 VAL MG1 1 116 ALA H 1.800 . 5.000 4.587 3.796 4.975 . 0 0 "[ . 1 . 2]" 2
450 1 34 ALA MB 1 39 ASP H 1.800 . 4.000 3.027 1.997 3.658 . 0 0 "[ . 1 . 2]" 2
451 1 41 MET QG 1 59 LYS H 1.800 . 5.000 3.832 2.770 4.273 . 0 0 "[ . 1 . 2]" 2
452 1 41 MET ME 1 59 LYS H 1.800 . 5.000 4.126 3.360 4.551 . 0 0 "[ . 1 . 2]" 2
453 1 41 MET ME 1 110 ALA H 1.800 . 5.000 4.484 3.800 4.956 . 0 0 "[ . 1 . 2]" 2
454 1 41 MET ME 1 113 ALA H 1.800 . 5.000 4.693 4.197 4.990 . 0 0 "[ . 1 . 2]" 2
455 1 42 GLN QG 1 59 LYS H 1.800 . 5.000 4.645 3.503 5.009 0.009 2 0 "[ . 1 . 2]" 2
456 1 45 ILE QG 1 117 ALA H 1.800 . 5.000 4.976 4.821 5.025 0.025 2 0 "[ . 1 . 2]" 2
457 1 46 LYS QG 1 55 ASP H 1.800 . 5.000 3.911 2.788 4.887 . 0 0 "[ . 1 . 2]" 2
458 1 46 LYS QD 1 55 ASP H 1.800 . 5.000 4.094 3.129 4.983 . 0 0 "[ . 1 . 2]" 2
459 1 47 VAL MG2 1 54 GLU H 1.800 . 5.000 4.588 3.606 5.005 0.005 3 0 "[ . 1 . 2]" 2
460 1 47 VAL MG1 1 52 ILE H 1.800 . 5.000 2.960 2.544 3.366 . 0 0 "[ . 1 . 2]" 2
461 1 52 ILE MG 1 79 GLY H 1.800 . 5.000 4.118 3.707 4.576 . 0 0 "[ . 1 . 2]" 2
462 1 52 ILE MG 1 80 LYS H 1.800 . 5.000 4.062 3.427 4.714 . 0 0 "[ . 1 . 2]" 2
463 1 52 ILE MD 1 81 SER H 1.800 . 5.000 4.282 3.600 4.864 . 0 0 "[ . 1 . 2]" 2
464 1 52 ILE MD 1 82 LEU H 1.800 . 5.000 4.233 3.773 4.944 . 0 0 "[ . 1 . 2]" 2
465 1 53 ILE HB 1 79 GLY H 1.800 . 5.000 2.554 2.024 2.973 . 0 0 "[ . 1 . 2]" 2
466 1 53 ILE MG 1 78 LYS H 1.800 . 5.000 4.701 3.121 4.999 . 0 0 "[ . 1 . 2]" 2
467 1 53 ILE MG 1 79 GLY H 1.800 . 5.000 2.840 2.239 3.460 . 0 0 "[ . 1 . 2]" 2
468 1 53 ILE MG 1 80 LYS H 1.800 . 5.000 4.037 3.515 4.654 . 0 0 "[ . 1 . 2]" 2
469 1 56 ALA MB 1 78 LYS H 1.800 . 5.000 4.603 2.774 4.999 . 0 0 "[ . 1 . 2]" 2
470 1 56 ALA MB 1 77 VAL H 1.800 . 5.000 4.798 4.479 5.022 0.022 10 0 "[ . 1 . 2]" 2
471 1 72 LEU QD 1 96 GLU H 1.800 . 5.000 4.850 4.543 5.027 0.027 7 0 "[ . 1 . 2]" 2
472 1 72 LEU QD 1 97 LEU H 1.800 . 5.000 4.375 3.716 4.912 . 0 0 "[ . 1 . 2]" 2
473 1 77 VAL MG1 1 85 ALA H 1.800 . 5.000 4.665 3.553 5.003 0.003 10 0 "[ . 1 . 2]" 2
474 1 80 LYS QB 1 85 ALA H 1.800 . 5.000 3.846 3.160 4.281 . 0 0 "[ . 1 . 2]" 2
475 1 89 LYS QB 1 91 SER H 1.800 . 5.000 2.676 2.078 3.680 . 0 0 "[ . 1 . 2]" 2
476 1 89 LYS QD 1 91 SER H 1.800 . 5.000 4.136 2.975 4.634 . 0 0 "[ . 1 . 2]" 2
477 1 93 ILE MD 1 111 GLU H 1.800 . 5.000 4.198 3.649 4.874 . 0 0 "[ . 1 . 2]" 2
478 1 99 LEU QD 1 106 CYS H 1.800 . 5.000 4.373 3.619 5.011 0.011 7 0 "[ . 1 . 2]" 2
479 1 99 LEU QD 1 107 SER H 1.800 . 5.000 3.063 2.475 3.953 . 0 0 "[ . 1 . 2]" 2
480 1 20 LEU H 1 27 VAL HB 1.800 . 5.000 4.814 4.313 4.999 . 0 0 "[ . 1 . 2]" 2
481 1 20 LEU H 1 27 VAL MG1 1.800 . 5.000 3.781 2.618 4.879 . 0 0 "[ . 1 . 2]" 2
482 1 20 LEU H 1 27 VAL MG2 1.800 . 5.000 2.736 2.123 3.499 . 0 0 "[ . 1 . 2]" 2
483 1 21 ASP H 1 27 VAL QG 1.800 . 5.000 3.562 1.788 4.757 0.012 4 0 "[ . 1 . 2]" 2
484 1 24 ASP H 1 27 VAL HB 1.800 . 4.000 3.531 2.264 4.012 0.012 17 0 "[ . 1 . 2]" 2
485 1 24 ASP H 1 27 VAL MG1 1.800 . 5.000 4.549 3.493 5.007 0.007 18 0 "[ . 1 . 2]" 2
486 1 24 ASP H 1 27 VAL MG2 1.800 . 5.000 3.985 2.848 4.791 . 0 0 "[ . 1 . 2]" 2
487 1 26 ASN H 1 121 TYR QE 1.800 . 5.000 4.704 3.589 5.024 0.024 19 0 "[ . 1 . 2]" 2
488 1 28 GLY H 1 45 ILE QG 1.800 . 5.000 2.882 2.325 4.355 . 0 0 "[ . 1 . 2]" 2
489 1 28 GLY H 1 45 ILE MD 1.800 . 5.000 3.504 2.516 4.822 . 0 0 "[ . 1 . 2]" 2
490 1 28 GLY H 1 47 VAL MG2 1.800 . 5.000 3.827 3.164 4.501 . 0 0 "[ . 1 . 2]" 2
491 1 29 THR H 1 120 ASP HB2 1.800 . 4.000 3.147 2.183 3.942 . 0 0 "[ . 1 . 2]" 2
492 1 29 THR H 1 120 ASP HB3 1.800 . 4.000 2.458 1.915 3.596 . 0 0 "[ . 1 . 2]" 2
493 1 30 GLY H 1 44 GLN QG 1.800 . 5.000 3.490 2.307 4.367 . 0 0 "[ . 1 . 2]" 2
494 1 30 GLY H 1 117 ALA MB 1.800 . 5.000 3.241 2.285 4.144 . 0 0 "[ . 1 . 2]" 2
495 1 32 VAL H 1 41 MET QB 1.800 . 5.000 3.792 3.494 4.580 . 0 0 "[ . 1 . 2]" 2
496 1 33 GLY H 1 109 LEU MD1 1.800 . 5.000 3.982 3.388 4.854 . 0 0 "[ . 1 . 2]" 2
497 1 34 ALA H 1 39 ASP QB 1.800 . 5.000 4.117 3.290 5.008 0.008 6 0 "[ . 1 . 2]" 2
498 1 34 ALA H 1 109 LEU MD1 1.800 . 5.000 4.233 3.011 4.881 . 0 0 "[ . 1 . 2]" 2
499 1 39 ASP H 1 109 LEU MD2 1.800 . 5.000 4.594 3.984 5.009 0.009 14 0 "[ . 1 . 2]" 2
500 1 42 GLN H 1 59 LYS QB 1.800 . 5.000 3.417 2.775 4.080 . 0 0 "[ . 1 . 2]" 2
501 1 42 GLN H 1 60 THR MG 1.800 . 5.000 4.313 3.533 4.962 . 0 0 "[ . 1 . 2]" 2
502 1 46 LYS H 1 53 ILE MD 1.800 . 5.000 4.453 3.109 4.967 . 0 0 "[ . 1 . 2]" 2
503 1 46 LYS H 1 53 ILE MG 1.800 . 5.000 2.623 2.219 2.920 . 0 0 "[ . 1 . 2]" 2
504 1 48 ASP H 1 52 ILE HB 1.800 . 5.000 4.056 3.696 4.504 . 0 0 "[ . 1 . 2]" 2
505 1 48 ASP H 1 52 ILE MG 1.800 . 5.000 4.795 4.421 5.021 0.021 8 0 "[ . 1 . 2]" 2
506 1 48 ASP H 1 54 GLU QB 1.800 . 5.000 3.606 2.653 4.760 . 0 0 "[ . 1 . 2]" 2
507 1 48 ASP H 1 54 GLU QG 1.800 . 5.000 4.165 2.484 4.996 . 0 0 "[ . 1 . 2]" 2
508 1 50 ASN H 1 52 ILE QG 1.800 . 5.000 4.182 3.413 4.990 . 0 0 "[ . 1 . 2]" 2
509 1 56 ALA H 1 78 LYS QG 1.800 . 5.000 3.452 2.012 4.283 . 0 0 "[ . 1 . 2]" 2
510 1 56 ALA H 1 78 LYS QE 1.800 . 5.000 3.548 2.063 5.001 0.001 11 0 "[ . 1 . 2]" 2
511 1 58 PHE H 1 74 THR MG 1.800 . 5.000 4.110 3.582 4.680 . 0 0 "[ . 1 . 2]" 2
512 1 59 LYS H 1 74 THR MG 1.800 . 5.000 4.934 4.718 5.035 0.035 7 0 "[ . 1 . 2]" 2
513 1 62 GLY H 1 67 ILE MD 1.800 . 5.000 4.069 2.933 4.997 . 0 0 "[ . 1 . 2]" 2
514 1 63 CYS H 1 66 ALA MB 1.800 . 5.000 3.952 2.111 5.008 0.008 6 0 "[ . 1 . 2]" 2
515 1 69 SER H 1 97 LEU MD1 1.800 . 5.000 3.850 2.331 4.958 . 0 0 "[ . 1 . 2]" 2
516 1 69 SER H 1 97 LEU MD2 1.800 . 5.000 3.510 2.234 4.944 . 0 0 "[ . 1 . 2]" 2
517 1 73 ILE H 1 93 ILE MD 1.800 . 5.000 4.040 2.483 4.929 . 0 0 "[ . 1 . 2]" 2
518 1 81 SER H 1 84 GLU QG 1.800 . 5.000 3.683 2.402 4.941 . 0 0 "[ . 1 . 2]" 2
519 1 85 ALA H 1 88 ILE MG 1.800 . 5.000 4.753 4.298 4.998 . 0 0 "[ . 1 . 2]" 2
520 1 85 ALA H 1 88 ILE MD 1.800 . 5.000 4.786 4.376 4.987 . 0 0 "[ . 1 . 2]" 2
521 1 85 ALA H 1 114 ILE QG 1.800 . 5.000 4.974 4.797 5.026 0.026 14 0 "[ . 1 . 2]" 2
522 1 86 GLY H 1 88 ILE MD 1.800 . 5.000 4.973 4.832 5.021 0.021 10 0 "[ . 1 . 2]" 2
523 1 86 GLY H 1 114 ILE MG 1.800 . 5.000 4.695 4.156 4.991 . 0 0 "[ . 1 . 2]" 2
524 1 86 GLY H 1 118 ILE MD 1.800 . 5.000 3.442 2.697 4.120 . 0 0 "[ . 1 . 2]" 2
525 1 89 LYS H 1 92 GLN QB 1.800 . 5.000 3.997 2.477 4.990 . 0 0 "[ . 1 . 2]" 2
526 1 89 LYS H 1 111 GLU QB 1.800 . 5.000 4.863 4.456 5.014 0.014 14 0 "[ . 1 . 2]" 2
527 1 91 SER H 1 111 GLU QB 1.800 . 5.000 4.891 4.582 5.020 0.020 13 0 "[ . 1 . 2]" 2
528 1 95 GLU H 1 99 LEU MD2 1.800 . 5.000 4.777 4.413 5.021 0.021 2 0 "[ . 1 . 2]" 2
529 1 97 LEU H 1 99 LEU QD 1.800 . 5.000 3.553 2.812 3.970 . 0 0 "[ . 1 . 2]" 2
530 1 106 CYS H 1 109 LEU MD1 1.800 . 5.000 4.834 4.481 5.004 0.004 9 0 "[ . 1 . 2]" 2
531 1 115 LYS H 1 118 ILE MD 1.800 . 5.000 4.343 3.855 4.890 . 0 0 "[ . 1 . 2]" 2
532 1 22 LYS HA 1 27 VAL MG2 1.800 . 5.000 4.474 3.127 4.997 . 0 0 "[ . 1 . 2]" 2
533 1 22 LYS HA 1 27 VAL MG1 1.800 . 5.000 3.394 2.203 4.856 . 0 0 "[ . 1 . 2]" 2
534 1 27 VAL MG2 1 46 LYS HA 1.800 . 5.000 3.135 2.353 4.113 . 0 0 "[ . 1 . 2]" 2
535 1 29 THR MG 1 44 GLN HA 1.800 . 5.000 3.590 3.029 4.223 . 0 0 "[ . 1 . 2]" 2
536 1 31 MET ME 1 42 GLN HA 1.800 . 5.000 4.392 2.557 4.996 . 0 0 "[ . 1 . 2]" 2
537 1 32 VAL MG2 1 109 LEU HA 1.800 . 5.000 3.471 2.638 4.062 . 0 0 "[ . 1 . 2]" 2
538 1 32 VAL MG1 1 112 ASP HA 1.800 . 5.000 4.701 4.095 5.005 0.005 13 0 "[ . 1 . 2]" 2
539 1 32 VAL MG1 1 113 ALA HA 1.800 . 5.000 2.969 2.394 3.590 . 0 0 "[ . 1 . 2]" 2
540 1 32 VAL MG2 1 113 ALA HA 1.800 . 5.000 2.891 2.364 3.669 . 0 0 "[ . 1 . 2]" 2
541 1 34 ALA MB 1 105 HIS HA 1.800 . 5.000 4.881 4.098 5.080 0.080 19 0 "[ . 1 . 2]" 2
542 1 41 MET HA 1 60 THR MG 1.800 . 5.000 4.048 3.385 4.726 . 0 0 "[ . 1 . 2]" 2
543 1 41 MET ME 1 43 LEU HA 1.800 . 5.000 3.993 3.358 4.985 . 0 0 "[ . 1 . 2]" 2
544 1 41 MET ME 1 70 SER HA 1.800 . 5.000 3.528 2.374 4.403 . 0 0 "[ . 1 . 2]" 2
545 1 41 MET ME 1 110 ALA HA 1.800 . 5.000 2.513 2.012 2.879 . 0 0 "[ . 1 . 2]" 2
546 1 43 LEU MD2 1 114 ILE HA 1.800 . 5.000 2.661 2.093 3.148 . 0 0 "[ . 1 . 2]" 2
547 1 43 LEU MD1 1 58 PHE HA 1.800 . 5.000 3.142 2.296 4.697 . 0 0 "[ . 1 . 2]" 2
548 1 44 GLN HA 1 117 ALA MB 1.800 . 4.000 3.346 2.477 4.010 0.010 7 0 "[ . 1 . 2]" 2
549 1 45 ILE HA 1 56 ALA MB 1.800 . 4.000 2.934 2.433 3.430 . 0 0 "[ . 1 . 2]" 2
550 1 45 ILE MG 1 56 ALA HA 1.800 . 5.000 3.571 3.047 4.050 . 0 0 "[ . 1 . 2]" 2
551 1 45 ILE MD 1 118 ILE HA 1.800 . 5.000 3.190 2.179 4.345 . 0 0 "[ . 1 . 2]" 2
552 1 47 VAL MG1 1 51 GLY HA3 1.800 . 5.000 3.736 3.305 4.540 . 0 0 "[ . 1 . 2]" 2
553 1 47 VAL MG1 1 51 GLY HA2 1.800 . 5.000 2.393 2.028 3.146 . 0 0 "[ . 1 . 2]" 2
554 1 52 ILE MG 1 54 GLU HA 1.800 . 5.000 3.777 3.358 4.383 . 0 0 "[ . 1 . 2]" 2
555 1 52 ILE MG 1 79 GLY HA2 1.800 . 5.000 2.894 2.182 3.386 . 0 0 "[ . 1 . 2]" 2
556 1 52 ILE MG 1 79 GLY HA3 1.800 . 5.000 4.101 3.210 4.635 . 0 0 "[ . 1 . 2]" 2
557 1 52 ILE MG 1 80 LYS HA 1.800 . 5.000 3.961 3.114 4.674 . 0 0 "[ . 1 . 2]" 2
558 1 52 ILE MG 1 81 SER HA 1.800 . 5.000 3.443 2.627 4.352 . 0 0 "[ . 1 . 2]" 2
559 1 52 ILE MD 1 80 LYS HA 1.800 . 5.000 4.435 3.637 5.001 0.001 19 0 "[ . 1 . 2]" 2
560 1 52 ILE MD 1 81 SER HA 1.800 . 5.000 2.781 2.250 3.171 . 0 0 "[ . 1 . 2]" 2
561 1 72 LEU MD2 1 93 ILE HA 1.800 . 5.000 3.226 2.905 3.688 . 0 0 "[ . 1 . 2]" 2
562 1 73 ILE MG 1 110 ALA HA 1.800 . 5.000 4.378 3.677 4.975 . 0 0 "[ . 1 . 2]" 2
563 1 73 ILE MD 1 110 ALA HA 1.800 . 5.000 3.309 2.440 4.100 . 0 0 "[ . 1 . 2]" 2
564 1 77 VAL MG1 1 85 ALA HA 1.800 . 5.000 3.091 2.153 4.179 . 0 0 "[ . 1 . 2]" 2
565 1 82 LEU MD2 1 118 ILE HA 1.800 . 5.000 3.658 3.194 4.251 . 0 0 "[ . 1 . 2]" 2
566 1 86 GLY QA 1 118 ILE MD 1.800 . 5.000 2.297 1.806 2.872 . 0 0 "[ . 1 . 2]" 2
567 1 93 ILE MG 1 107 SER HA 1.800 . 5.000 3.690 2.701 4.519 . 0 0 "[ . 1 . 2]" 2
568 1 93 ILE MD 1 107 SER HA 1.800 . 5.000 4.378 3.639 4.978 . 0 0 "[ . 1 . 2]" 2
569 1 94 ALA HA 1 99 LEU QD 1.800 . 5.000 2.146 1.959 2.472 . 0 0 "[ . 1 . 2]" 2
570 1 20 LEU QD 1 27 VAL MG1 1.800 . 5.000 4.185 2.197 5.001 0.001 18 0 "[ . 1 . 2]" 2
571 1 20 LEU QD 1 27 VAL MG2 1.800 . 5.000 3.242 2.156 3.990 . 0 0 "[ . 1 . 2]" 2
572 1 20 LEU QD 1 46 LYS QD 1.800 . 5.000 3.539 2.393 5.006 0.006 11 0 "[ . 1 . 2]" 2
573 1 20 LEU QD 1 46 LYS QE 1.800 . 5.000 3.314 1.916 4.736 . 0 0 "[ . 1 . 2]" 2
574 1 27 VAL MG2 1 46 LYS QG 1.800 . 5.000 2.660 2.056 4.303 . 0 0 "[ . 1 . 2]" 2
575 1 27 VAL MG2 1 46 LYS QD 1.800 . 5.000 3.327 2.144 4.592 . 0 0 "[ . 1 . 2]" 2
576 1 29 THR MG 1 42 GLN QG 1.800 . 5.000 3.267 2.817 4.703 . 0 0 "[ . 1 . 2]" 2
577 1 31 MET QG 1 40 VAL QG 1.800 . 5.000 3.519 2.195 4.855 . 0 0 "[ . 1 . 2]" 2
578 1 31 MET ME 1 40 VAL QG 1.800 . 5.000 3.049 1.911 5.009 0.009 5 0 "[ . 1 . 2]" 2
579 1 32 VAL HB 1 109 LEU MD1 1.800 . 5.000 3.398 2.220 4.386 . 0 0 "[ . 1 . 2]" 2
580 1 32 VAL MG1 1 112 ASP HB2 1.800 . 5.000 3.879 2.312 4.647 . 0 0 "[ . 1 . 2]" 2
581 1 32 VAL MG1 1 112 ASP HB3 1.800 . 5.000 2.740 2.183 3.443 . 0 0 "[ . 1 . 2]" 2
582 1 32 VAL MG1 1 113 ALA MB 1.800 . 5.000 3.528 2.498 4.150 . 0 0 "[ . 1 . 2]" 2
583 1 32 VAL MG1 1 116 ALA MB 1.800 . 5.000 2.893 2.389 3.359 . 0 0 "[ . 1 . 2]" 2
584 1 32 VAL MG2 1 41 MET ME 1.800 . 5.000 3.841 2.383 4.859 . 0 0 "[ . 1 . 2]" 2
585 1 32 VAL MG2 1 109 LEU HG 1.800 . 5.000 2.514 2.007 3.785 . 0 0 "[ . 1 . 2]" 2
586 1 32 VAL MG2 1 109 LEU MD2 1.800 . 5.000 2.798 2.171 4.189 . 0 0 "[ . 1 . 2]" 2
587 1 34 ALA MB 1 36 ALA MB 1.800 . 5.000 3.449 3.013 3.878 . 0 0 "[ . 1 . 2]" 2
588 1 34 ALA MB 1 39 ASP QB 1.800 . 4.000 3.618 2.163 4.108 0.108 20 0 "[ . 1 . 2]" 2
589 1 34 ALA MB 1 105 HIS HD2 1.800 . 5.000 3.021 1.967 4.298 . 0 0 "[ . 1 . 2]" 2
590 1 34 ALA MB 1 109 LEU QB 1.800 . 5.000 3.870 3.318 4.245 . 0 0 "[ . 1 . 2]" 2
591 1 34 ALA MB 1 109 LEU MD1 1.800 . 5.000 2.125 1.876 2.368 . 0 0 "[ . 1 . 2]" 2
592 1 34 ALA MB 1 109 LEU MD2 1.800 . 5.000 2.195 1.880 2.676 . 0 0 "[ . 1 . 2]" 2
593 1 39 ASP QB 1 109 LEU MD2 1.800 . 5.000 4.036 2.584 4.918 . 0 0 "[ . 1 . 2]" 2
594 1 41 MET ME 1 43 LEU MD1 1.800 . 5.000 2.239 1.821 2.963 . 0 0 "[ . 1 . 2]" 2
595 1 41 MET ME 1 43 LEU MD2 1.800 . 5.000 3.511 2.388 4.755 . 0 0 "[ . 1 . 2]" 2
596 1 41 MET ME 1 60 THR MG 1.800 . 5.000 3.330 2.669 4.483 . 0 0 "[ . 1 . 2]" 2
597 1 41 MET ME 1 73 ILE MG 1.800 . 5.000 3.154 2.443 3.631 . 0 0 "[ . 1 . 2]" 2
598 1 41 MET ME 1 73 ILE MD 1.800 . 5.000 3.160 2.273 3.861 . 0 0 "[ . 1 . 2]" 2
599 1 41 MET ME 1 74 THR MG 1.800 . 5.000 4.164 3.423 4.748 . 0 0 "[ . 1 . 2]" 2
600 1 41 MET ME 1 110 ALA MB 1.800 . 5.000 3.099 2.217 3.900 . 0 0 "[ . 1 . 2]" 2
601 1 41 MET ME 1 113 ALA MB 1.800 . 5.000 2.531 2.056 2.891 . 0 0 "[ . 1 . 2]" 2
602 1 43 LEU MD1 1 56 ALA MB 1.800 . 5.000 4.136 3.122 4.618 . 0 0 "[ . 1 . 2]" 2
603 1 43 LEU MD1 1 73 ILE MG 1.800 . 5.000 3.008 2.578 3.415 . 0 0 "[ . 1 . 2]" 2
604 1 43 LEU MD2 1 73 ILE MD 1.800 . 5.000 3.014 1.947 4.180 . 0 0 "[ . 1 . 2]" 2
605 1 43 LEU MD1 1 110 ALA MB 1.800 . 5.000 4.571 3.991 4.999 . 0 0 "[ . 1 . 2]" 2
606 1 43 LEU MD1 1 113 ALA MB 1.800 . 5.000 3.109 2.140 4.151 . 0 0 "[ . 1 . 2]" 2
607 1 43 LEU MD2 1 114 ILE MG 1.800 . 5.000 4.509 3.844 4.941 . 0 0 "[ . 1 . 2]" 2
608 1 43 LEU MD2 1 117 ALA MB 1.800 . 5.000 3.017 2.240 4.054 . 0 0 "[ . 1 . 2]" 2
609 1 43 LEU MD1 1 74 THR MG 1.800 . 5.000 2.763 1.958 3.805 . 0 0 "[ . 1 . 2]" 2
610 1 29 THR MG 1 44 GLN HE21 1.800 . 5.000 3.484 1.818 4.988 . 0 0 "[ . 1 . 2]" 2
611 1 29 THR MG 1 44 GLN HE22 1.800 . 5.000 3.901 2.158 4.894 . 0 0 "[ . 1 . 2]" 2
612 1 45 ILE MG 1 56 ALA MB 1.800 . 5.000 2.591 2.121 2.946 . 0 0 "[ . 1 . 2]" 2
613 1 45 ILE MG 1 77 VAL MG1 1.800 . 5.000 4.162 3.425 5.019 0.019 1 0 "[ . 1 . 2]" 2
614 1 45 ILE MG 1 77 VAL MG2 1.800 . 5.000 3.175 2.761 3.967 . 0 0 "[ . 1 . 2]" 2
615 1 45 ILE MG 1 117 ALA MB 1.800 . 5.000 3.014 2.186 3.877 . 0 0 "[ . 1 . 2]" 2
616 1 45 ILE MD 1 47 VAL MG2 1.800 . 5.000 2.889 2.047 4.838 . 0 0 "[ . 1 . 2]" 2
617 1 45 ILE MD 1 82 LEU MD1 1.800 . 5.000 3.894 2.990 4.992 . 0 0 "[ . 1 . 2]" 2
618 1 45 ILE MD 1 82 LEU MD2 1.800 . 5.000 2.493 1.930 3.328 . 0 0 "[ . 1 . 2]" 2
619 1 45 ILE MD 1 117 ALA MB 1.800 . 5.000 2.587 2.027 3.555 . 0 0 "[ . 1 . 2]" 2
620 1 45 ILE MD 1 118 ILE MG 1.800 . 5.000 4.435 3.809 4.927 . 0 0 "[ . 1 . 2]" 2
621 1 45 ILE MD 1 118 ILE MD 1.800 . 5.000 4.142 3.353 4.967 . 0 0 "[ . 1 . 2]" 2
622 1 47 VAL MG2 1 53 ILE MG 1.800 . 5.000 3.918 3.293 4.391 . 0 0 "[ . 1 . 2]" 2
623 1 47 VAL MG2 1 53 ILE MD 1.800 . 5.000 3.936 2.236 4.841 . 0 0 "[ . 1 . 2]" 2
624 1 47 VAL MG1 1 82 LEU MD1 1.800 . 5.000 2.922 2.016 3.744 . 0 0 "[ . 1 . 2]" 2
625 1 47 VAL MG2 1 82 LEU MD1 1.800 . 5.000 2.592 2.030 3.761 . 0 0 "[ . 1 . 2]" 2
626 1 47 VAL MG2 1 82 LEU MD2 1.800 . 5.000 2.996 2.139 3.826 . 0 0 "[ . 1 . 2]" 2
627 1 47 VAL MG1 1 82 LEU HG 1.800 . 5.000 4.022 2.625 4.913 . 0 0 "[ . 1 . 2]" 2
628 1 50 ASN QB 1 52 ILE MD 1.800 . 5.000 3.837 3.144 4.767 . 0 0 "[ . 1 . 2]" 2
629 1 50 ASN QD 1 52 ILE MD 1.800 . 5.000 4.542 3.486 5.017 0.017 2 0 "[ . 1 . 2]" 2
630 1 52 ILE MD 1 81 SER QB 1.800 . 5.000 2.954 2.242 3.803 . 0 0 "[ . 1 . 2]" 2
631 1 53 ILE QG 1 82 LEU MD1 1.800 . 5.000 4.076 3.392 4.740 . 0 0 "[ . 1 . 2]" 2
632 1 53 ILE QG 1 82 LEU MD2 1.800 . 5.000 2.988 2.115 3.988 . 0 0 "[ . 1 . 2]" 2
633 1 53 ILE MG 1 77 VAL MG2 1.800 . 5.000 3.382 2.395 3.970 . 0 0 "[ . 1 . 2]" 2
634 1 53 ILE MD 1 77 VAL HB 1.800 . 5.000 2.735 2.105 4.721 . 0 0 "[ . 1 . 2]" 2
635 1 53 ILE MD 1 77 VAL MG2 1.800 . 5.000 3.456 2.496 4.686 . 0 0 "[ . 1 . 2]" 2
636 1 56 ALA MB 1 77 VAL MG1 1.800 . 5.000 4.547 4.116 4.899 . 0 0 "[ . 1 . 2]" 2
637 1 56 ALA MB 1 77 VAL MG2 1.800 . 5.000 2.463 1.962 2.805 . 0 0 "[ . 1 . 2]" 2
638 1 56 ALA MB 1 78 LYS QE 1.800 . 5.000 4.074 2.910 4.981 . 0 0 "[ . 1 . 2]" 2
639 1 60 THR MG 1 66 ALA MB 1.800 . 5.000 3.366 2.236 4.958 . 0 0 "[ . 1 . 2]" 2
640 1 60 THR MG 1 67 ILE QG 1.800 . 5.000 4.131 2.407 5.007 0.007 9 0 "[ . 1 . 2]" 2
641 1 60 THR MG 1 67 ILE MD 1.800 . 5.000 4.391 2.719 5.008 0.008 10 0 "[ . 1 . 2]" 2
642 1 60 THR MG 1 73 ILE MG 1.800 . 5.000 4.910 4.222 5.028 0.028 20 0 "[ . 1 . 2]" 2
643 1 66 ALA MB 1 109 LEU MD2 1.800 . 5.000 4.770 4.226 5.014 0.014 9 0 "[ . 1 . 2]" 2
644 1 69 SER QB 1 93 ILE MG 1.800 . 5.000 3.081 2.157 4.426 . 0 0 "[ . 1 . 2]" 2
645 1 69 SER QB 1 97 LEU QD 1.800 . 5.000 2.853 1.948 4.050 . 0 0 "[ . 1 . 2]" 2
646 1 69 SER QB 1 110 ALA MB 1.800 . 4.000 3.619 3.089 3.990 . 0 0 "[ . 1 . 2]" 2
647 1 72 LEU MD2 1 93 ILE MG 1.800 . 5.000 2.678 1.992 4.166 . 0 0 "[ . 1 . 2]" 2
648 1 72 LEU MD2 1 93 ILE MD 1.800 . 5.000 3.697 2.125 4.621 . 0 0 "[ . 1 . 2]" 2
649 1 72 LEU MD1 1 96 GLU QG 1.800 . 5.000 3.718 2.697 4.933 . 0 0 "[ . 1 . 2]" 2
650 1 72 LEU MD2 1 96 GLU QG 1.800 . 5.000 3.045 2.147 4.744 . 0 0 "[ . 1 . 2]" 2
651 1 72 LEU MD1 1 97 LEU QD 1.800 . 5.000 3.565 2.505 4.898 . 0 0 "[ . 1 . 2]" 2
652 1 72 LEU MD2 1 97 LEU MD1 1.800 . 5.000 2.829 1.891 4.156 . 0 0 "[ . 1 . 2]" 2
653 1 72 LEU MD2 1 97 LEU MD2 1.800 . 5.000 4.104 3.611 4.884 . 0 0 "[ . 1 . 2]" 2
654 1 73 ILE QG 1 110 ALA MB 1.800 . 5.000 4.127 3.686 4.678 . 0 0 "[ . 1 . 2]" 2
655 1 73 ILE MG 1 110 ALA MB 1.800 . 5.000 3.114 2.614 3.610 . 0 0 "[ . 1 . 2]" 2
656 1 73 ILE MD 1 74 THR MG 1.800 . 5.000 4.129 3.734 4.707 . 0 0 "[ . 1 . 2]" 2
657 1 73 ILE MD 1 110 ALA MB 1.800 . 5.000 2.337 2.010 2.800 . 0 0 "[ . 1 . 2]" 2
658 1 74 THR MG 1 77 VAL MG2 1.800 . 5.000 3.609 3.238 4.002 . 0 0 "[ . 1 . 2]" 2
659 1 76 TRP HE3 1 88 ILE MG 1.800 . 5.000 3.217 2.176 4.871 . 0 0 "[ . 1 . 2]" 2
660 1 76 TRP HZ3 1 88 ILE MG 1.800 . 5.000 3.523 1.982 4.840 . 0 0 "[ . 1 . 2]" 2
661 1 76 TRP HE3 1 88 ILE MD 1.800 . 5.000 3.865 2.265 4.985 . 0 0 "[ . 1 . 2]" 2
662 1 76 TRP HE3 1 93 ILE MD 1.800 . 5.000 4.460 3.575 4.978 . 0 0 "[ . 1 . 2]" 2
663 1 77 VAL HB 1 85 ALA MB 1.800 . 4.000 3.095 2.328 3.808 . 0 0 "[ . 1 . 2]" 2
664 1 77 VAL MG1 1 85 ALA MB 1.800 . 5.000 2.451 2.085 2.832 . 0 0 "[ . 1 . 2]" 2
665 1 77 VAL MG2 1 114 ILE MD 1.800 . 5.000 2.956 2.278 3.515 . 0 0 "[ . 1 . 2]" 2
666 1 82 LEU MD2 1 85 ALA MB 1.800 . 5.000 3.162 2.686 3.547 . 0 0 "[ . 1 . 2]" 2
667 1 82 LEU MD2 1 118 ILE MG 1.800 . 5.000 3.385 2.089 4.416 . 0 0 "[ . 1 . 2]" 2
668 1 82 LEU MD2 1 118 ILE MD 1.800 . 5.000 3.000 2.428 3.769 . 0 0 "[ . 1 . 2]" 2
669 1 82 LEU MD1 1 121 TYR QE 1.800 . 5.000 3.249 2.441 4.155 . 0 0 "[ . 1 . 2]" 2
670 1 82 LEU MD1 1 121 TYR QD 1.800 . 5.000 3.642 2.407 4.626 . 0 0 "[ . 1 . 2]" 2
671 1 83 GLU QG 1 87 ALA MB 1.800 . 5.000 4.301 3.734 5.007 0.007 3 0 "[ . 1 . 2]" 2
672 1 85 ALA MB 1 118 ILE MD 1.800 . 5.000 3.016 2.044 4.322 . 0 0 "[ . 1 . 2]" 2
673 1 87 ALA MB 1 89 LYS QE 1.800 . 5.000 4.595 4.138 5.000 . 0 0 "[ . 1 . 2]" 2
674 1 88 ILE HB 1 93 ILE MD 1.800 . 5.000 3.924 3.025 4.950 . 0 0 "[ . 1 . 2]" 2
675 1 88 ILE QG 1 93 ILE MD 1.800 . 5.000 4.416 2.503 5.011 0.011 17 0 "[ . 1 . 2]" 2
676 1 88 ILE MG 1 93 ILE MD 1.800 . 5.000 4.319 3.534 4.891 . 0 0 "[ . 1 . 2]" 2
677 1 90 ASN QD 1 104 VAL MG1 1.800 . 4.000 3.685 2.361 3.986 . 0 0 "[ . 1 . 2]" 2
678 1 90 ASN QD 1 108 ILE MD 1.800 . 5.000 3.613 2.164 4.611 . 0 0 "[ . 1 . 2]" 2
679 1 91 SER QB 1 94 ALA MB 1.800 . 5.000 4.054 3.328 4.655 . 0 0 "[ . 1 . 2]" 2
680 1 93 ILE MG 1 97 LEU QD 1.800 . 5.000 2.797 1.998 3.890 . 0 0 "[ . 1 . 2]" 2
681 1 93 ILE MG 1 99 LEU QD 1.800 . 5.000 3.390 2.603 4.253 . 0 0 "[ . 1 . 2]" 2
682 1 93 ILE MG 1 107 SER QB 1.800 . 5.000 3.597 2.408 4.654 . 0 0 "[ . 1 . 2]" 2
683 1 93 ILE MG 1 110 ALA MB 1.800 . 5.000 3.425 2.828 4.406 . 0 0 "[ . 1 . 2]" 2
684 1 93 ILE MD 1 110 ALA MB 1.800 . 5.000 2.654 2.195 3.058 . 0 0 "[ . 1 . 2]" 2
685 1 94 ALA MB 1 99 LEU QD 1.800 . 5.000 2.549 2.028 3.609 . 0 0 "[ . 1 . 2]" 2
686 1 94 ALA MB 1 104 VAL MG1 1.800 . 5.000 3.959 2.786 4.997 . 0 0 "[ . 1 . 2]" 2
687 1 94 ALA MB 1 104 VAL MG2 1.800 . 5.000 3.751 2.427 4.992 . 0 0 "[ . 1 . 2]" 2
688 1 94 ALA MB 1 107 SER QB 1.800 . 4.000 2.805 2.341 3.817 . 0 0 "[ . 1 . 2]" 2
689 1 101 PRO QB 1 104 VAL MG1 1.800 . 5.000 4.526 3.836 5.011 0.011 4 0 "[ . 1 . 2]" 2
690 1 104 VAL MG1 1 108 ILE QG 1.800 . 5.000 2.688 2.155 4.611 . 0 0 "[ . 1 . 2]" 2
691 1 104 VAL MG1 1 108 ILE MD 1.800 . 5.000 2.686 2.025 4.615 . 0 0 "[ . 1 . 2]" 2
692 1 114 ILE MG 1 118 ILE MD 1.800 . 5.000 2.592 2.240 3.119 . 0 0 "[ . 1 . 2]" 2
693 1 114 ILE MD 1 117 ALA MB 1.800 . 5.000 3.970 3.309 4.370 . 0 0 "[ . 1 . 2]" 2
694 1 115 LYS QG 1 118 ILE MG 1.800 . 5.000 4.357 3.523 5.003 0.003 14 0 "[ . 1 . 2]" 2
695 1 26 ASN H 1 26 ASN HD21 1.800 . 5.000 3.593 1.824 4.986 . 0 0 "[ . 1 . 2]" 2
696 1 26 ASN H 1 26 ASN HD22 1.800 . 5.000 3.976 3.021 4.895 . 0 0 "[ . 1 . 2]" 2
697 1 41 MET HA 1 41 MET ME 1.800 . 5.000 4.541 3.599 4.844 . 0 0 "[ . 1 . 2]" 2
698 1 50 ASN H 1 50 ASN HD21 1.800 . 5.000 3.567 1.874 5.005 0.005 6 0 "[ . 1 . 2]" 2
699 1 50 ASN H 1 50 ASN HD22 1.800 . 5.000 3.858 2.375 4.868 . 0 0 "[ . 1 . 2]" 2
700 1 52 ILE HA 1 52 ILE MD 1.800 . 5.000 2.104 1.949 2.225 . 0 0 "[ . 1 . 2]" 2
701 1 53 ILE HA 1 53 ILE MD 1.800 . 5.000 3.630 1.982 3.839 . 0 0 "[ . 1 . 2]" 2
702 1 67 ILE HA 1 67 ILE MD 1.800 . 5.000 3.238 1.952 4.002 . 0 0 "[ . 1 . 2]" 2
703 1 73 ILE HA 1 73 ILE MD 1.800 . 5.000 3.727 3.510 3.806 . 0 0 "[ . 1 . 2]" 2
704 1 76 TRP HA 1 76 TRP HD1 1.800 . 5.000 2.392 2.178 2.839 . 0 0 "[ . 1 . 2]" 2
705 1 88 ILE HA 1 88 ILE MD 1.800 . 5.000 4.084 3.611 4.135 . 0 0 "[ . 1 . 2]" 2
706 1 114 ILE HA 1 114 ILE MD 1.800 . 5.000 2.299 2.092 2.614 . 0 0 "[ . 1 . 2]" 2
707 1 34 ALA MB 1 35 PRO HD2 1.800 . 5.000 3.008 2.198 4.020 . 0 0 "[ . 1 . 2]" 2
708 1 34 ALA MB 1 35 PRO HD3 1.800 . 5.000 3.670 3.238 3.983 . 0 0 "[ . 1 . 2]" 2
709 1 101 PRO QG 1 102 VAL MG1 1.800 . 5.000 4.407 2.332 5.035 0.035 6 0 "[ . 1 . 2]" 2
710 1 118 ILE MG 1 119 ALA HA 1.800 . 5.000 3.353 3.023 3.672 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 84
_Distance_constraint_stats_list.Viol_count 257
_Distance_constraint_stats_list.Viol_total 825.748
_Distance_constraint_stats_list.Viol_max 1.459
_Distance_constraint_stats_list.Viol_rms 0.1339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0246
_Distance_constraint_stats_list.Viol_average_violations_only 0.1607
_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 26 ASN 0.013 0.007 9 0 "[ . 1 . 2]"
1 28 GLY 0.033 0.012 18 0 "[ . 1 . 2]"
1 30 GLY 0.011 0.007 18 0 "[ . 1 . 2]"
1 32 VAL 0.020 0.012 5 0 "[ . 1 . 2]"
1 34 ALA 0.055 0.018 12 0 "[ . 1 . 2]"
1 39 ASP 0.055 0.018 12 0 "[ . 1 . 2]"
1 41 MET 0.020 0.012 5 0 "[ . 1 . 2]"
1 42 GLN 6.686 0.834 13 5 "[ . * + -* *]"
1 43 LEU 0.011 0.007 18 0 "[ . 1 . 2]"
1 44 GLN 2.399 0.609 11 1 "[ . 1+ . 2]"
1 45 ILE 0.033 0.012 18 0 "[ . 1 . 2]"
1 46 LYS 29.659 1.459 11 14 "[ *** * *+***.****-]"
1 47 VAL 0.013 0.007 9 0 "[ . 1 . 2]"
1 48 ASP 0.048 0.013 13 0 "[ . 1 . 2]"
1 52 ILE 0.048 0.013 13 0 "[ . 1 . 2]"
1 53 ILE 0.084 0.023 5 0 "[ . 1 . 2]"
1 55 ASP 29.659 1.459 11 14 "[ *** * *+***.****-]"
1 57 LYS 2.399 0.609 11 1 "[ . 1+ . 2]"
1 59 LYS 6.686 0.834 13 5 "[ . * + -* *]"
1 68 ALA 0.035 0.018 1 0 "[ . 1 . 2]"
1 69 SER 0.011 0.011 5 0 "[ . 1 . 2]"
1 70 SER 0.092 0.034 10 0 "[ . 1 . 2]"
1 71 SER 0.036 0.016 16 0 "[ . 1 . 2]"
1 72 LEU 0.152 0.046 17 0 "[ . 1 . 2]"
1 73 ILE 0.026 0.011 5 0 "[ . 1 . 2]"
1 74 THR 0.092 0.034 10 0 "[ . 1 . 2]"
1 75 GLU 0.036 0.016 16 0 "[ . 1 . 2]"
1 76 TRP 0.117 0.046 17 0 "[ . 1 . 2]"
1 77 VAL 0.014 0.008 3 0 "[ . 1 . 2]"
1 79 GLY 0.069 0.023 5 0 "[ . 1 . 2]"
1 80 LYS 0.015 0.014 13 0 "[ . 1 . 2]"
1 81 SER 0.140 0.024 7 0 "[ . 1 . 2]"
1 82 LEU 0.115 0.062 10 0 "[ . 1 . 2]"
1 85 ALA 0.140 0.024 7 0 "[ . 1 . 2]"
1 86 GLY 0.115 0.062 10 0 "[ . 1 . 2]"
1 90 ASN 0.026 0.014 19 0 "[ . 1 . 2]"
1 91 SER 0.045 0.019 19 0 "[ . 1 . 2]"
1 92 GLN 0.031 0.017 5 0 "[ . 1 . 2]"
1 93 ILE 0.019 0.010 2 0 "[ . 1 . 2]"
1 94 ALA 0.026 0.014 19 0 "[ . 1 . 2]"
1 95 GLU 0.045 0.019 19 0 "[ . 1 . 2]"
1 96 GLU 0.031 0.017 5 0 "[ . 1 . 2]"
1 97 LEU 0.019 0.010 2 0 "[ . 1 . 2]"
1 105 HIS 0.319 0.047 17 0 "[ . 1 . 2]"
1 106 CYS 0.213 0.066 19 0 "[ . 1 . 2]"
1 107 SER 0.328 0.059 17 0 "[ . 1 . 2]"
1 108 ILE 0.086 0.023 20 0 "[ . 1 . 2]"
1 109 LEU 0.518 0.065 17 0 "[ . 1 . 2]"
1 110 ALA 0.408 0.066 19 0 "[ . 1 . 2]"
1 111 GLU 0.477 0.059 17 0 "[ . 1 . 2]"
1 112 ASP 0.107 0.023 20 0 "[ . 1 . 2]"
1 113 ALA 0.199 0.065 17 0 "[ . 1 . 2]"
1 114 ILE 0.207 0.033 14 0 "[ . 1 . 2]"
1 115 LYS 0.165 0.042 12 0 "[ . 1 . 2]"
1 116 ALA 0.030 0.012 2 0 "[ . 1 . 2]"
1 117 ALA 0.020 0.020 2 0 "[ . 1 . 2]"
1 118 ILE 0.012 0.007 19 0 "[ . 1 . 2]"
1 119 ALA 0.045 0.012 14 0 "[ . 1 . 2]"
1 120 ASP 0.010 0.010 13 0 "[ . 1 . 2]"
1 121 TYR 0.020 0.020 2 0 "[ . 1 . 2]"
1 122 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.030 0.012 14 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 32 VAL H 1 41 MET O 1.800 . 2.300 2.140 1.900 2.303 0.003 9 0 "[ . 1 . 2]" 3
2 1 32 VAL N 1 41 MET O 2.800 2.800 3.300 3.059 2.855 3.215 . 0 0 "[ . 1 . 2]" 3
3 1 34 ALA H 1 39 ASP O 1.800 . 2.300 2.222 2.057 2.318 0.018 12 0 "[ . 1 . 2]" 3
4 1 34 ALA N 1 39 ASP O 2.800 2.800 3.300 3.037 2.787 3.200 0.013 20 0 "[ . 1 . 2]" 3
5 1 32 VAL O 1 41 MET H 1.800 . 2.300 2.154 1.945 2.304 0.004 20 0 "[ . 1 . 2]" 3
6 1 32 VAL O 1 41 MET N 2.800 2.800 3.300 2.960 2.788 3.129 0.012 5 0 "[ . 1 . 2]" 3
7 1 42 GLN H 1 59 LYS O 1.800 . 2.300 2.124 1.862 2.308 0.008 13 0 "[ . 1 . 2]" 3
8 1 42 GLN N 1 59 LYS O 2.800 2.800 3.300 3.034 2.815 3.285 . 0 0 "[ . 1 . 2]" 3
9 1 30 GLY O 1 43 LEU H 1.800 . 2.300 2.043 1.820 2.256 . 0 0 "[ . 1 . 2]" 3
10 1 30 GLY O 1 43 LEU N 2.800 2.800 3.300 2.916 2.793 3.141 0.007 18 0 "[ . 1 . 2]" 3
11 1 44 GLN H 1 57 LYS O 1.800 . 2.300 2.119 1.857 2.297 . 0 0 "[ . 1 . 2]" 3
12 1 44 GLN N 1 57 LYS O 2.800 2.800 3.300 3.037 2.813 3.233 . 0 0 "[ . 1 . 2]" 3
13 1 28 GLY O 1 45 ILE H 1.800 . 2.300 2.194 1.879 2.312 0.012 18 0 "[ . 1 . 2]" 3
14 1 28 GLY O 1 45 ILE N 2.800 2.800 3.300 3.087 2.802 3.244 . 0 0 "[ . 1 . 2]" 3
15 1 46 LYS H 1 55 ASP O 1.800 . 2.300 2.199 2.064 2.302 0.002 16 0 "[ . 1 . 2]" 3
16 1 46 LYS N 1 55 ASP O 2.800 2.800 3.300 3.074 2.856 3.254 . 0 0 "[ . 1 . 2]" 3
17 1 26 ASN O 1 47 VAL H 1.800 . 2.300 2.122 1.861 2.307 0.007 9 0 "[ . 1 . 2]" 3
18 1 26 ASN O 1 47 VAL N 2.800 2.800 3.300 3.028 2.826 3.270 . 0 0 "[ . 1 . 2]" 3
19 1 48 ASP H 1 52 ILE O 1.800 . 2.300 2.233 2.073 2.313 0.013 13 0 "[ . 1 . 2]" 3
20 1 48 ASP N 1 52 ILE O 2.800 2.800 3.300 3.155 2.999 3.249 . 0 0 "[ . 1 . 2]" 3
21 1 53 ILE H 1 80 LYS O 1.800 . 2.300 2.160 1.933 2.314 0.014 13 0 "[ . 1 . 2]" 3
22 1 53 ILE N 1 80 LYS O 2.800 2.800 3.300 3.108 2.878 3.273 . 0 0 "[ . 1 . 2]" 3
23 1 46 LYS O 1 55 ASP H 1.800 . 2.300 3.081 2.488 3.759 1.459 11 14 "[ *** * *+***.**-**]" 3
24 1 46 LYS O 1 55 ASP N 2.800 2.800 3.300 4.002 3.450 4.706 1.406 11 13 "[ *** * *+***.** *-]" 3
25 1 44 GLN O 1 57 LYS H 1.800 . 2.300 2.181 1.790 2.909 0.609 11 1 "[ . 1+ . 2]" 3
26 1 44 GLN O 1 57 LYS N 2.800 2.800 3.300 2.992 2.758 3.703 0.403 11 0 "[ . 1 . 2]" 3
27 1 42 GLN O 1 59 LYS H 1.800 . 2.300 2.600 2.101 3.134 0.834 13 5 "[ . * + -* *]" 3
28 1 42 GLN O 1 59 LYS N 2.800 2.800 3.300 3.156 2.912 3.490 0.190 13 0 "[ . 1 . 2]" 3
29 1 68 ALA O 1 72 LEU H 1.800 . 2.300 2.208 1.983 2.318 0.018 1 0 "[ . 1 . 2]" 3
30 1 68 ALA O 1 72 LEU N 2.800 2.800 3.300 3.131 2.844 3.257 . 0 0 "[ . 1 . 2]" 3
31 1 69 SER O 1 73 ILE H 1.800 . 2.300 2.157 1.902 2.284 . 0 0 "[ . 1 . 2]" 3
32 1 69 SER O 1 73 ILE N 2.800 2.800 3.300 2.964 2.789 3.060 0.011 5 0 "[ . 1 . 2]" 3
33 1 70 SER O 1 74 THR H 1.800 . 2.300 2.135 1.872 2.314 0.014 3 0 "[ . 1 . 2]" 3
34 1 70 SER O 1 74 THR N 2.800 2.800 3.300 3.027 2.766 3.217 0.034 10 0 "[ . 1 . 2]" 3
35 1 71 SER O 1 75 GLU H 1.800 . 2.300 2.198 1.968 2.316 0.016 16 0 "[ . 1 . 2]" 3
36 1 71 SER O 1 75 GLU N 2.800 2.800 3.300 3.021 2.834 3.234 . 0 0 "[ . 1 . 2]" 3
37 1 72 LEU O 1 76 TRP H 1.800 . 2.300 2.174 1.803 2.316 0.016 13 0 "[ . 1 . 2]" 3
38 1 72 LEU O 1 76 TRP N 2.800 2.800 3.300 2.855 2.754 3.057 0.046 17 0 "[ . 1 . 2]" 3
39 1 73 ILE O 1 77 VAL H 1.800 . 2.300 2.180 1.905 2.306 0.006 16 0 "[ . 1 . 2]" 3
40 1 73 ILE O 1 77 VAL N 2.800 2.800 3.300 2.923 2.792 3.123 0.008 3 0 "[ . 1 . 2]" 3
41 1 53 ILE O 1 79 GLY H 1.800 . 2.300 2.219 2.039 2.308 0.008 4 0 "[ . 1 . 2]" 3
42 1 53 ILE O 1 79 GLY N 2.800 2.800 3.300 2.880 2.777 3.250 0.023 5 0 "[ . 1 . 2]" 3
43 1 81 SER O 1 85 ALA H 1.800 . 2.300 2.236 2.002 2.324 0.024 7 0 "[ . 1 . 2]" 3
44 1 81 SER O 1 85 ALA N 2.800 2.800 3.300 3.187 2.981 3.297 . 0 0 "[ . 1 . 2]" 3
45 1 82 LEU O 1 86 GLY H 1.800 . 2.300 2.078 1.875 2.322 0.022 10 0 "[ . 1 . 2]" 3
46 1 82 LEU O 1 86 GLY N 2.800 2.800 3.300 2.873 2.738 3.082 0.062 10 0 "[ . 1 . 2]" 3
47 1 90 ASN O 1 94 ALA H 1.800 . 2.300 2.059 1.870 2.314 0.014 19 0 "[ . 1 . 2]" 3
48 1 90 ASN O 1 94 ALA N 2.800 2.800 3.300 2.954 2.803 3.208 . 0 0 "[ . 1 . 2]" 3
49 1 91 SER O 1 95 GLU H 1.800 . 2.300 2.160 1.869 2.313 0.013 16 0 "[ . 1 . 2]" 3
50 1 91 SER O 1 95 GLU N 2.800 2.800 3.300 2.989 2.781 3.282 0.019 19 0 "[ . 1 . 2]" 3
51 1 92 GLN O 1 96 GLU H 1.800 . 2.300 2.167 1.951 2.317 0.017 5 0 "[ . 1 . 2]" 3
52 1 92 GLN O 1 96 GLU N 2.800 2.800 3.300 3.018 2.817 3.250 . 0 0 "[ . 1 . 2]" 3
53 1 93 ILE O 1 97 LEU H 1.800 . 2.300 2.189 1.948 2.310 0.010 2 0 "[ . 1 . 2]" 3
54 1 93 ILE O 1 97 LEU N 2.800 2.800 3.300 3.107 2.833 3.280 . 0 0 "[ . 1 . 2]" 3
55 1 105 HIS O 1 109 LEU H 1.800 . 2.300 2.055 1.798 2.327 0.027 3 0 "[ . 1 . 2]" 3
56 1 105 HIS O 1 109 LEU N 2.800 2.800 3.300 2.933 2.753 3.282 0.047 17 0 "[ . 1 . 2]" 3
57 1 106 CYS O 1 110 ALA H 1.800 . 2.300 2.238 1.945 2.366 0.066 19 0 "[ . 1 . 2]" 3
58 1 106 CYS O 1 110 ALA N 2.800 2.800 3.300 3.146 2.818 3.297 . 0 0 "[ . 1 . 2]" 3
59 1 107 SER O 1 111 GLU H 1.800 . 2.300 2.290 2.142 2.359 0.059 17 0 "[ . 1 . 2]" 3
60 1 107 SER O 1 111 GLU N 2.800 2.800 3.300 3.218 3.107 3.302 0.002 15 0 "[ . 1 . 2]" 3
61 1 108 ILE O 1 112 ASP H 1.800 . 2.300 1.997 1.825 2.295 . 0 0 "[ . 1 . 2]" 3
62 1 108 ILE O 1 112 ASP N 2.800 2.800 3.300 2.882 2.777 3.169 0.023 20 0 "[ . 1 . 2]" 3
63 1 109 LEU O 1 113 ALA H 1.800 . 2.300 2.046 1.830 2.284 . 0 0 "[ . 1 . 2]" 3
64 1 109 LEU O 1 113 ALA N 2.800 2.800 3.300 2.833 2.735 3.032 0.065 17 0 "[ . 1 . 2]" 3
65 1 110 ALA O 1 114 ILE H 1.800 . 2.300 2.280 2.007 2.333 0.033 14 0 "[ . 1 . 2]" 3
66 1 110 ALA O 1 114 ILE N 2.800 2.800 3.300 3.222 2.920 3.297 . 0 0 "[ . 1 . 2]" 3
67 1 111 GLU O 1 115 LYS H 1.800 . 2.300 2.256 2.122 2.342 0.042 12 0 "[ . 1 . 2]" 3
68 1 111 GLU O 1 115 LYS N 2.800 2.800 3.300 3.194 3.088 3.281 . 0 0 "[ . 1 . 2]" 3
69 1 112 ASP O 1 116 ALA H 1.800 . 2.300 2.065 1.821 2.312 0.012 2 0 "[ . 1 . 2]" 3
70 1 112 ASP O 1 116 ALA N 2.800 2.800 3.300 2.941 2.791 3.238 0.009 17 0 "[ . 1 . 2]" 3
71 1 113 ALA O 1 117 ALA H 1.800 . 2.300 2.036 1.832 2.276 . 0 0 "[ . 1 . 2]" 3
72 1 113 ALA O 1 117 ALA N 2.800 2.800 3.300 2.984 2.808 3.257 . 0 0 "[ . 1 . 2]" 3
73 1 114 ILE O 1 118 ILE H 1.800 . 2.300 2.243 1.992 2.307 0.007 19 0 "[ . 1 . 2]" 3
74 1 114 ILE O 1 118 ILE N 2.800 2.800 3.300 3.181 2.920 3.268 . 0 0 "[ . 1 . 2]" 3
75 1 115 LYS O 1 119 ALA H 1.800 . 2.300 2.067 1.879 2.312 0.012 7 0 "[ . 1 . 2]" 3
76 1 115 LYS O 1 119 ALA N 2.800 2.800 3.300 2.975 2.806 3.216 . 0 0 "[ . 1 . 2]" 3
77 1 116 ALA O 1 120 ASP H 1.800 . 2.300 2.059 1.908 2.310 0.010 13 0 "[ . 1 . 2]" 3
78 1 116 ALA O 1 120 ASP N 2.800 2.800 3.300 2.993 2.838 3.281 . 0 0 "[ . 1 . 2]" 3
79 1 117 ALA O 1 121 TYR H 1.800 . 2.300 2.103 1.858 2.293 . 0 0 "[ . 1 . 2]" 3
80 1 117 ALA O 1 121 TYR N 2.800 2.800 3.300 2.928 2.780 3.128 0.020 2 0 "[ . 1 . 2]" 3
81 1 118 ILE O 1 122 LYS H 1.800 . 2.300 2.102 1.904 2.295 . 0 0 "[ . 1 . 2]" 3
82 1 118 ILE O 1 122 LYS N 2.800 2.800 3.300 3.026 2.817 3.253 . 0 0 "[ . 1 . 2]" 3
83 1 119 ALA O 1 123 ALA H 1.800 . 2.300 2.133 1.820 2.302 0.002 18 0 "[ . 1 . 2]" 3
84 1 119 ALA O 1 123 ALA N 2.800 2.800 3.300 2.926 2.788 3.157 0.012 14 0 "[ . 1 . 2]" 3
stop_
save_
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