Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440471 | 2k8s RC | 15347 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k8s
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 853
_Distance_constraint_stats_list.Viol_count 481
_Distance_constraint_stats_list.Viol_total 166.941
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0174
_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 ALA 0.124 0.031 15 0 "[ . 1 . 2]"
1 4 LYS 0.330 0.043 15 0 "[ . 1 . 2]"
1 5 ALA 0.035 0.022 10 0 "[ . 1 . 2]"
1 6 ILE 0.076 0.023 17 0 "[ . 1 . 2]"
1 7 PHE 0.056 0.020 7 0 "[ . 1 . 2]"
1 8 TYR 0.025 0.012 5 0 "[ . 1 . 2]"
1 9 HIS 0.095 0.025 5 0 "[ . 1 . 2]"
1 10 ALA 0.009 0.004 1 0 "[ . 1 . 2]"
1 11 GLY 0.110 0.061 14 0 "[ . 1 . 2]"
1 12 CYS 0.116 0.061 14 0 "[ . 1 . 2]"
1 13 PRO 0.055 0.032 8 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.095 0.025 5 0 "[ . 1 . 2]"
1 16 VAL 0.049 0.025 14 0 "[ . 1 . 2]"
1 17 SER 0.030 0.024 16 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 0.090 0.031 12 0 "[ . 1 . 2]"
1 20 GLN 0.046 0.023 16 0 "[ . 1 . 2]"
1 21 ALA 0.192 0.037 19 0 "[ . 1 . 2]"
1 22 VAL 0.198 0.032 3 0 "[ . 1 . 2]"
1 23 ALA 0.097 0.025 11 0 "[ . 1 . 2]"
1 24 ASN 0.125 0.031 12 0 "[ . 1 . 2]"
1 25 ALA 0.120 0.040 7 0 "[ . 1 . 2]"
1 26 ILE 0.068 0.036 18 0 "[ . 1 . 2]"
1 27 ASP 0.071 0.021 1 0 "[ . 1 . 2]"
1 28 PRO 0.071 0.021 1 0 "[ . 1 . 2]"
1 29 SER 0.102 0.031 15 0 "[ . 1 . 2]"
1 30 LYS 0.088 0.033 1 0 "[ . 1 . 2]"
1 31 TYR 0.066 0.022 18 0 "[ . 1 . 2]"
1 32 THR 0.001 0.001 16 0 "[ . 1 . 2]"
1 33 VAL 0.054 0.036 18 0 "[ . 1 . 2]"
1 34 GLU 0.039 0.023 1 0 "[ . 1 . 2]"
1 35 ILE 0.110 0.025 11 0 "[ . 1 . 2]"
1 36 VAL 0.076 0.024 5 0 "[ . 1 . 2]"
1 37 HIS 0.007 0.004 1 0 "[ . 1 . 2]"
1 38 LEU 0.127 0.026 6 0 "[ . 1 . 2]"
1 39 GLY 0.025 0.021 12 0 "[ . 1 . 2]"
1 40 THR 0.004 0.004 17 0 "[ . 1 . 2]"
1 41 ASP 0.062 0.024 5 0 "[ . 1 . 2]"
1 42 LYS 0.106 0.043 13 0 "[ . 1 . 2]"
1 43 ALA 0.014 0.014 11 0 "[ . 1 . 2]"
1 44 ARG 0.004 0.004 5 0 "[ . 1 . 2]"
1 45 ILE 0.311 0.043 13 0 "[ . 1 . 2]"
1 46 ALA 0.101 0.037 16 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 6 0 "[ . 1 . 2]"
1 48 ALA 0.064 0.014 20 0 "[ . 1 . 2]"
1 49 GLU 0.075 0.027 17 0 "[ . 1 . 2]"
1 50 LYS 0.085 0.037 16 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.012 0.006 7 0 "[ . 1 . 2]"
1 53 VAL 0.076 0.014 20 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.004 0.002 11 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.021 0.007 11 0 "[ . 1 . 2]"
1 59 LEU 0.240 0.041 7 0 "[ . 1 . 2]"
1 60 VAL 0.003 0.002 19 0 "[ . 1 . 2]"
1 61 ILE 0.048 0.015 19 0 "[ . 1 . 2]"
1 62 ASP 0.150 0.036 3 0 "[ . 1 . 2]"
1 63 GLY 0.461 0.060 4 0 "[ . 1 . 2]"
1 64 ALA 0.105 0.060 4 0 "[ . 1 . 2]"
1 65 ALA 0.003 0.002 19 0 "[ . 1 . 2]"
1 66 PHE 0.176 0.021 8 0 "[ . 1 . 2]"
1 67 HIS 0.021 0.007 11 0 "[ . 1 . 2]"
1 68 ILE 0.005 0.005 17 0 "[ . 1 . 2]"
1 69 ASN 0.067 0.026 11 0 "[ . 1 . 2]"
1 70 PHE 0.058 0.026 11 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ALA 0.002 0.002 5 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ILE 0.130 0.052 4 0 "[ . 1 . 2]"
1 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.102 0.052 4 0 "[ . 1 . 2]"
1 78 LYS 0.013 0.013 13 0 "[ . 1 . 2]"
2 2 ALA 0.097 0.027 13 0 "[ . 1 . 2]"
2 4 LYS 0.453 0.087 13 0 "[ . 1 . 2]"
2 5 ALA 0.056 0.016 13 0 "[ . 1 . 2]"
2 6 ILE 0.033 0.013 17 0 "[ . 1 . 2]"
2 7 PHE 0.086 0.020 9 0 "[ . 1 . 2]"
2 8 TYR 0.024 0.010 14 0 "[ . 1 . 2]"
2 9 HIS 0.065 0.031 17 0 "[ . 1 . 2]"
2 10 ALA 0.149 0.051 17 0 "[ . 1 . 2]"
2 11 GLY 0.342 0.119 11 0 "[ . 1 . 2]"
2 12 CYS 0.434 0.119 11 0 "[ . 1 . 2]"
2 13 PRO 0.154 0.068 19 0 "[ . 1 . 2]"
2 14 VAL 0.282 0.079 11 0 "[ . 1 . 2]"
2 15 CYS 0.015 0.015 7 0 "[ . 1 . 2]"
2 16 VAL 0.067 0.029 13 0 "[ . 1 . 2]"
2 17 SER 0.039 0.021 8 0 "[ . 1 . 2]"
2 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLU 0.077 0.034 18 0 "[ . 1 . 2]"
2 20 GLN 0.087 0.030 9 0 "[ . 1 . 2]"
2 21 ALA 0.142 0.030 19 0 "[ . 1 . 2]"
2 22 VAL 0.231 0.041 7 0 "[ . 1 . 2]"
2 23 ALA 0.170 0.022 2 0 "[ . 1 . 2]"
2 24 ASN 0.135 0.034 18 0 "[ . 1 . 2]"
2 25 ALA 0.138 0.033 1 0 "[ . 1 . 2]"
2 26 ILE 0.030 0.010 14 0 "[ . 1 . 2]"
2 27 ASP 0.110 0.035 11 0 "[ . 1 . 2]"
2 28 PRO 0.110 0.035 11 0 "[ . 1 . 2]"
2 29 SER 0.074 0.027 13 0 "[ . 1 . 2]"
2 30 LYS 0.066 0.040 7 0 "[ . 1 . 2]"
2 31 TYR 0.072 0.023 20 0 "[ . 1 . 2]"
2 32 THR 0.017 0.017 5 0 "[ . 1 . 2]"
2 33 VAL 0.025 0.010 14 0 "[ . 1 . 2]"
2 34 GLU 0.049 0.042 6 0 "[ . 1 . 2]"
2 35 ILE 0.107 0.022 2 0 "[ . 1 . 2]"
2 36 VAL 0.089 0.042 6 0 "[ . 1 . 2]"
2 37 HIS 0.075 0.020 8 0 "[ . 1 . 2]"
2 38 LEU 0.227 0.054 12 0 "[ . 1 . 2]"
2 39 GLY 0.051 0.032 6 0 "[ . 1 . 2]"
2 40 THR 0.212 0.145 20 0 "[ . 1 . 2]"
2 41 ASP 0.194 0.145 20 0 "[ . 1 . 2]"
2 42 LYS 0.049 0.049 11 0 "[ . 1 . 2]"
2 43 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 ARG 0.040 0.030 11 0 "[ . 1 . 2]"
2 45 ILE 0.219 0.049 11 0 "[ . 1 . 2]"
2 46 ALA 0.050 0.029 18 0 "[ . 1 . 2]"
2 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 ALA 0.112 0.025 10 0 "[ . 1 . 2]"
2 49 GLU 0.034 0.024 20 0 "[ . 1 . 2]"
2 50 LYS 0.050 0.029 18 0 "[ . 1 . 2]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 0.117 0.025 10 0 "[ . 1 . 2]"
2 54 LYS 0.123 0.041 10 0 "[ . 1 . 2]"
2 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 VAL 0.699 0.053 10 0 "[ . 1 . 2]"
2 57 PRO 0.932 0.079 11 0 "[ . 1 . 2]"
2 58 ALA 0.168 0.034 7 0 "[ . 1 . 2]"
2 59 LEU 0.239 0.032 3 0 "[ . 1 . 2]"
2 60 VAL 0.030 0.019 18 0 "[ . 1 . 2]"
2 61 ILE 0.035 0.012 3 0 "[ . 1 . 2]"
2 62 ASP 0.231 0.042 12 0 "[ . 1 . 2]"
2 63 GLY 0.682 0.087 13 0 "[ . 1 . 2]"
2 64 ALA 0.107 0.044 15 0 "[ . 1 . 2]"
2 65 ALA 0.027 0.019 18 0 "[ . 1 . 2]"
2 66 PHE 0.205 0.024 16 0 "[ . 1 . 2]"
2 67 HIS 0.102 0.020 11 0 "[ . 1 . 2]"
2 68 ILE 0.224 0.057 16 0 "[ . 1 . 2]"
2 69 ASN 0.191 0.057 16 0 "[ . 1 . 2]"
2 70 PHE 0.081 0.033 13 0 "[ . 1 . 2]"
2 71 GLY 0.746 0.076 3 0 "[ . 1 . 2]"
2 72 ALA 0.574 0.076 3 0 "[ . 1 . 2]"
2 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 ILE 0.229 0.054 12 0 "[ . 1 . 2]"
2 75 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 LEU 0.021 0.010 6 0 "[ . 1 . 2]"
2 78 LYS 0.088 0.027 19 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 17 SER QB 2 66 PHE QD 1.800 . 5.000 4.234 3.091 4.842 . 0 0 "[ . 1 . 2]" 1
2 1 66 PHE QD 2 17 SER QB 1.800 . 5.000 4.558 3.760 5.021 0.021 8 0 "[ . 1 . 2]" 1
3 1 17 SER QB 2 66 PHE QE 1.800 . 5.000 2.428 1.776 3.087 0.024 16 0 "[ . 1 . 2]" 1
4 1 66 PHE QE 2 17 SER QB 1.800 . 5.000 2.664 1.877 3.171 . 0 0 "[ . 1 . 2]" 1
5 1 18 ALA MB 2 66 PHE QE 1.800 . 5.000 3.595 2.926 4.744 . 0 0 "[ . 1 . 2]" 1
6 1 66 PHE QE 2 18 ALA MB 1.800 . 5.000 3.301 2.838 4.801 . 0 0 "[ . 1 . 2]" 1
7 1 18 ALA MB 1 68 ILE MD 1.800 . 5.000 2.741 1.927 4.151 . 0 0 "[ . 1 . 2]" 1
8 2 18 ALA MB 2 68 ILE MD 1.800 . 5.000 3.056 1.945 4.589 . 0 0 "[ . 1 . 2]" 1
9 1 18 ALA MB 1 68 ILE MG 1.800 . 5.000 2.209 1.860 2.620 . 0 0 "[ . 1 . 2]" 1
10 2 18 ALA MB 2 68 ILE MG 1.800 . 5.000 2.419 1.934 2.971 . 0 0 "[ . 1 . 2]" 1
11 1 21 ALA MB 2 61 ILE MD 1.800 . 5.000 2.845 2.134 4.810 . 0 0 "[ . 1 . 2]" 1
12 1 61 ILE MD 2 21 ALA MB 1.800 . 5.000 2.710 1.966 4.746 . 0 0 "[ . 1 . 2]" 1
13 1 21 ALA MB 2 61 ILE MG 1.800 . 5.000 2.998 2.087 3.654 . 0 0 "[ . 1 . 2]" 1
14 1 61 ILE MG 2 21 ALA MB 1.800 . 5.000 2.787 1.921 3.551 . 0 0 "[ . 1 . 2]" 1
15 1 21 ALA HA 2 61 ILE MG 1.800 . 5.000 4.141 2.638 5.003 0.003 18 0 "[ . 1 . 2]" 1
16 1 61 ILE MG 2 21 ALA HA 1.800 . 5.000 3.896 2.905 4.748 . 0 0 "[ . 1 . 2]" 1
17 1 21 ALA MB 2 62 ASP QB 1.800 . 5.500 5.145 4.152 5.537 0.037 19 0 "[ . 1 . 2]" 1
18 1 62 ASP QB 2 21 ALA MB 1.800 . 5.500 4.856 3.843 5.530 0.030 19 0 "[ . 1 . 2]" 1
19 1 21 ALA MB 2 66 PHE QE 1.800 . 5.000 2.441 2.127 2.589 . 0 0 "[ . 1 . 2]" 1
20 1 66 PHE QE 2 21 ALA MB 1.800 . 5.000 2.407 2.217 2.643 . 0 0 "[ . 1 . 2]" 1
21 1 21 ALA HA 2 66 PHE QE 1.800 . 5.000 4.961 4.661 5.022 0.022 13 0 "[ . 1 . 2]" 1
22 1 66 PHE QE 2 21 ALA HA 1.800 . 5.000 4.941 4.763 5.016 0.016 15 0 "[ . 1 . 2]" 1
23 1 21 ALA MB 2 66 PHE HZ 1.800 . 5.000 2.387 1.987 2.975 . 0 0 "[ . 1 . 2]" 1
24 1 66 PHE HZ 2 21 ALA MB 1.800 . 5.000 2.412 2.006 2.940 . 0 0 "[ . 1 . 2]" 1
25 1 22 VAL MG1 2 59 LEU MD1 1.800 . 5.500 4.948 3.516 5.532 0.032 3 0 "[ . 1 . 2]" 1
26 1 59 LEU MD1 2 22 VAL MG1 1.800 . 5.500 4.982 3.781 5.541 0.041 7 0 "[ . 1 . 2]" 1
27 1 22 VAL MG1 2 59 LEU MD2 1.800 . 5.500 3.938 2.687 5.301 . 0 0 "[ . 1 . 2]" 1
28 1 59 LEU MD2 2 22 VAL MG1 1.800 . 5.500 4.227 2.801 5.528 0.028 18 0 "[ . 1 . 2]" 1
29 1 22 VAL MG2 2 59 LEU MD1 1.800 . 5.500 5.021 3.542 5.511 0.011 8 0 "[ . 1 . 2]" 1
30 1 59 LEU MD1 2 22 VAL MG2 1.800 . 5.500 4.952 3.963 5.508 0.008 14 0 "[ . 1 . 2]" 1
31 1 22 VAL MG2 2 59 LEU MD2 1.800 . 5.500 3.695 2.321 4.855 . 0 0 "[ . 1 . 2]" 1
32 1 59 LEU MD2 2 22 VAL MG2 1.800 . 5.500 3.866 2.353 5.178 . 0 0 "[ . 1 . 2]" 1
33 1 22 VAL MG2 2 66 PHE QD 1.800 . 5.000 3.072 2.862 3.374 . 0 0 "[ . 1 . 2]" 1
34 1 66 PHE QD 2 22 VAL MG2 1.800 . 5.000 3.154 2.879 3.753 . 0 0 "[ . 1 . 2]" 1
35 1 22 VAL MG2 2 66 PHE QE 1.800 . 5.000 3.447 2.951 3.984 . 0 0 "[ . 1 . 2]" 1
36 1 66 PHE QE 2 22 VAL MG2 1.800 . 5.000 3.433 3.041 4.119 . 0 0 "[ . 1 . 2]" 1
37 1 22 VAL MG2 2 22 VAL MG1 1.800 . 6.000 4.578 4.033 4.945 . 0 0 "[ . 1 . 2]" 1
38 1 22 VAL MG1 2 22 VAL MG2 1.800 . 6.000 4.528 4.217 4.932 . 0 0 "[ . 1 . 2]" 1
39 1 22 VAL MG2 2 22 VAL MG2 1.800 . 6.000 5.819 5.452 6.011 0.011 3 0 "[ . 1 . 2]" 1
40 1 22 VAL MG1 2 22 VAL MG1 1.800 . 6.000 3.363 2.907 3.852 . 0 0 "[ . 1 . 2]" 1
41 1 25 ALA MB 2 26 ILE MD 1.800 . 5.000 2.593 2.123 3.675 . 0 0 "[ . 1 . 2]" 1
42 1 26 ILE MD 2 25 ALA MB 1.800 . 5.000 2.512 2.031 3.196 . 0 0 "[ . 1 . 2]" 1
43 1 25 ALA MB 2 26 ILE MG 1.800 . 5.000 2.580 1.795 3.978 0.005 9 0 "[ . 1 . 2]" 1
44 1 26 ILE MG 2 25 ALA MB 1.800 . 5.000 2.642 1.780 3.699 0.020 16 0 "[ . 1 . 2]" 1
45 1 25 ALA HA 2 31 TYR QE 1.800 . 5.000 2.363 1.781 3.435 0.019 20 0 "[ . 1 . 2]" 1
46 1 31 TYR QE 2 25 ALA HA 1.800 . 5.000 2.107 1.785 3.009 0.015 4 0 "[ . 1 . 2]" 1
47 1 25 ALA MB 2 31 TYR QD 1.800 . 5.000 3.132 2.410 3.711 . 0 0 "[ . 1 . 2]" 1
48 1 31 TYR QD 2 25 ALA MB 1.800 . 5.000 3.211 2.616 3.895 . 0 0 "[ . 1 . 2]" 1
49 1 25 ALA MB 2 31 TYR QE 1.800 . 5.000 2.867 1.896 3.510 . 0 0 "[ . 1 . 2]" 1
50 1 31 TYR QE 2 25 ALA MB 1.800 . 5.000 3.048 2.497 3.634 . 0 0 "[ . 1 . 2]" 1
51 1 25 ALA MB 2 30 LYS QD 1.800 . 5.000 4.135 3.436 5.011 0.011 12 0 "[ . 1 . 2]" 1
52 1 30 LYS QD 2 25 ALA MB 1.800 . 5.000 4.342 3.493 5.033 0.033 1 0 "[ . 1 . 2]" 1
53 1 25 ALA MB 2 30 LYS QE 1.800 . 5.000 4.245 3.491 5.040 0.040 7 0 "[ . 1 . 2]" 1
54 1 30 LYS QE 2 25 ALA MB 1.800 . 5.000 4.326 3.118 5.026 0.026 20 0 "[ . 1 . 2]" 1
55 1 25 ALA MB 2 61 ILE MD 1.800 . 5.000 2.841 2.147 3.457 . 0 0 "[ . 1 . 2]" 1
56 1 61 ILE MD 2 25 ALA MB 1.800 . 5.000 2.717 2.267 3.381 . 0 0 "[ . 1 . 2]" 1
57 1 67 HIS H 2 69 ASN H 1.800 . 5.000 3.316 2.691 3.865 . 0 0 "[ . 1 . 2]" 1
58 1 69 ASN H 2 67 HIS H 1.800 . 5.000 3.534 2.925 4.127 . 0 0 "[ . 1 . 2]" 1
59 1 67 HIS H 2 69 ASN QD 1.800 . 5.000 3.309 2.921 4.303 . 0 0 "[ . 1 . 2]" 1
60 1 69 ASN QD 2 67 HIS H 1.800 . 5.000 3.232 2.554 4.225 . 0 0 "[ . 1 . 2]" 1
61 1 67 HIS QB 2 69 ASN H 1.800 . 6.000 3.034 2.500 3.937 . 0 0 "[ . 1 . 2]" 1
62 1 69 ASN H 2 67 HIS QB 1.800 . 6.000 2.976 2.672 3.747 . 0 0 "[ . 1 . 2]" 1
63 1 66 PHE HA 2 69 ASN QD 1.800 . 6.000 2.427 1.830 4.628 . 0 0 "[ . 1 . 2]" 1
64 1 69 ASN QD 2 66 PHE HA 1.800 . 6.000 2.347 1.790 3.766 0.010 2 0 "[ . 1 . 2]" 1
65 1 66 PHE HA 2 68 ILE MG 1.800 . 5.500 3.703 3.313 4.352 . 0 0 "[ . 1 . 2]" 1
66 1 68 ILE MG 2 66 PHE HA 1.800 . 5.500 3.621 3.342 4.098 . 0 0 "[ . 1 . 2]" 1
67 1 66 PHE QB 2 68 ILE MG 1.800 . 5.000 2.182 1.779 2.906 0.021 18 0 "[ . 1 . 2]" 1
68 1 68 ILE MG 2 66 PHE QB 1.800 . 5.000 2.025 1.795 2.374 0.005 17 0 "[ . 1 . 2]" 1
69 1 66 PHE QD 2 68 ILE MG 1.800 . 5.000 2.474 2.192 3.242 . 0 0 "[ . 1 . 2]" 1
70 1 68 ILE MG 2 66 PHE QD 1.800 . 5.000 2.600 2.192 3.288 . 0 0 "[ . 1 . 2]" 1
71 1 66 PHE QE 2 68 ILE MG 1.800 . 5.000 3.901 3.525 4.575 . 0 0 "[ . 1 . 2]" 1
72 1 68 ILE MG 2 66 PHE QE 1.800 . 5.000 4.052 3.616 4.796 . 0 0 "[ . 1 . 2]" 1
73 1 23 ALA MB 1 59 LEU MD1 1.800 . 6.000 3.598 2.565 4.208 . 0 0 "[ . 1 . 2]" 1
74 2 23 ALA MB 2 59 LEU MD1 1.800 . 6.000 3.863 2.923 4.657 . 0 0 "[ . 1 . 2]" 1
75 1 23 ALA MB 1 59 LEU MD2 1.800 . 6.000 4.651 4.038 5.512 . 0 0 "[ . 1 . 2]" 1
76 2 23 ALA MB 2 59 LEU MD2 1.800 . 6.000 5.002 3.955 6.002 0.002 18 0 "[ . 1 . 2]" 1
77 1 26 ILE MG 1 31 TYR QB 1.800 . 5.000 2.125 1.945 2.385 . 0 0 "[ . 1 . 2]" 1
78 2 26 ILE MG 2 31 TYR QB 1.800 . 5.000 2.243 1.970 2.650 . 0 0 "[ . 1 . 2]" 1
79 1 26 ILE MG 1 31 TYR QD 1.800 . 5.000 2.432 1.800 3.118 . 0 0 "[ . 1 . 2]" 1
80 2 26 ILE MG 2 31 TYR QD 1.800 . 5.000 2.297 1.926 2.923 . 0 0 "[ . 1 . 2]" 1
81 1 26 ILE MG 1 31 TYR QE 1.800 . 5.000 4.000 3.266 4.546 . 0 0 "[ . 1 . 2]" 1
82 2 26 ILE MG 2 31 TYR QE 1.800 . 5.000 3.840 3.425 4.341 . 0 0 "[ . 1 . 2]" 1
83 1 26 ILE MG 1 33 VAL MG2 1.800 . 6.000 2.569 1.981 3.027 . 0 0 "[ . 1 . 2]" 1
84 2 26 ILE MG 2 33 VAL MG2 1.800 . 6.000 2.703 2.242 3.605 . 0 0 "[ . 1 . 2]" 1
85 1 26 ILE HB 1 33 VAL MG2 1.800 . 5.000 2.942 2.409 3.404 . 0 0 "[ . 1 . 2]" 1
86 2 26 ILE HB 2 33 VAL MG2 1.800 . 5.000 3.131 2.568 3.629 . 0 0 "[ . 1 . 2]" 1
87 1 26 ILE QG 1 33 VAL MG2 1.800 . 6.000 4.401 3.714 5.020 . 0 0 "[ . 1 . 2]" 1
88 2 26 ILE QG 2 33 VAL MG2 1.800 . 6.000 4.634 4.034 5.121 . 0 0 "[ . 1 . 2]" 1
89 1 26 ILE MD 1 33 VAL MG1 1.800 . 5.000 4.274 3.146 5.036 0.036 18 0 "[ . 1 . 2]" 1
90 2 26 ILE MD 2 33 VAL MG1 1.800 . 5.000 4.488 3.465 5.010 0.010 14 0 "[ . 1 . 2]" 1
91 1 26 ILE MD 1 33 VAL MG2 1.800 . 5.000 3.509 2.370 4.542 . 0 0 "[ . 1 . 2]" 1
92 2 26 ILE MD 2 33 VAL MG2 1.800 . 5.000 3.735 2.822 4.567 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE MD 1 61 ILE MD 1.800 . 5.000 2.985 2.189 3.889 . 0 0 "[ . 1 . 2]" 1
94 2 26 ILE MD 2 61 ILE MD 1.800 . 5.000 2.716 2.252 3.691 . 0 0 "[ . 1 . 2]" 1
95 1 55 SER QB 1 70 PHE QE 1.800 . 5.500 3.113 2.057 4.781 . 0 0 "[ . 1 . 2]" 1
96 2 55 SER QB 2 70 PHE QE 1.800 . 5.500 3.765 2.459 5.324 . 0 0 "[ . 1 . 2]" 1
97 1 70 PHE HZ 1 72 ALA HA 1.800 . 5.500 4.568 3.960 5.502 0.002 5 0 "[ . 1 . 2]" 1
98 2 70 PHE HZ 2 72 ALA HA 1.800 . 5.500 4.509 3.605 5.124 . 0 0 "[ . 1 . 2]" 1
99 1 70 PHE HZ 1 73 GLY H 1.800 . 5.500 3.908 3.116 4.895 . 0 0 "[ . 1 . 2]" 1
100 2 70 PHE HZ 2 73 GLY H 1.800 . 5.500 3.850 2.639 5.243 . 0 0 "[ . 1 . 2]" 1
101 1 70 PHE HZ 1 73 GLY QA 1.800 . 5.500 3.556 2.784 4.796 . 0 0 "[ . 1 . 2]" 1
102 2 70 PHE HZ 2 73 GLY QA 1.800 . 5.500 3.659 2.490 5.473 . 0 0 "[ . 1 . 2]" 1
103 1 10 ALA H 1 11 GLY H 1.800 . 3.300 2.245 2.007 2.519 . 0 0 "[ . 1 . 2]" 1
104 1 11 GLY H 1 12 CYS H 1.800 . 3.300 2.608 2.343 3.361 0.061 14 0 "[ . 1 . 2]" 1
105 1 15 CYS H 1 16 VAL H 1.800 . 3.300 2.517 2.309 2.654 . 0 0 "[ . 1 . 2]" 1
106 1 16 VAL H 1 17 SER H 1.800 . 3.300 2.710 2.591 2.826 . 0 0 "[ . 1 . 2]" 1
107 1 17 SER H 1 18 ALA H 1.800 . 3.300 2.702 2.542 2.804 . 0 0 "[ . 1 . 2]" 1
108 1 18 ALA H 1 19 GLU H 1.800 . 3.300 2.602 2.447 2.696 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLU H 1 20 GLN H 1.800 . 3.300 2.676 2.532 2.943 . 0 0 "[ . 1 . 2]" 1
110 1 21 ALA H 1 22 VAL H 1.800 . 3.300 2.535 2.307 2.772 . 0 0 "[ . 1 . 2]" 1
111 1 22 VAL H 1 23 ALA H 1.800 . 3.300 2.651 2.553 2.751 . 0 0 "[ . 1 . 2]" 1
112 1 23 ALA H 1 24 ASN H 1.800 . 3.300 2.578 2.485 2.644 . 0 0 "[ . 1 . 2]" 1
113 1 24 ASN H 1 25 ALA H 1.800 . 3.300 2.115 1.848 2.502 . 0 0 "[ . 1 . 2]" 1
114 1 25 ALA H 1 26 ILE H 1.800 . 3.000 2.435 2.136 2.715 . 0 0 "[ . 1 . 2]" 1
115 1 30 LYS H 1 31 TYR H 1.800 . 3.000 2.257 1.885 2.800 . 0 0 "[ . 1 . 2]" 1
116 1 38 LEU H 1 39 GLY H 1.800 . 4.000 2.431 2.187 2.545 . 0 0 "[ . 1 . 2]" 1
117 1 39 GLY H 1 40 THR H 1.800 . 3.300 2.695 2.240 3.304 0.004 17 0 "[ . 1 . 2]" 1
118 1 40 THR H 1 41 ASP H 1.800 . 3.300 2.275 1.849 2.697 . 0 0 "[ . 1 . 2]" 1
119 1 42 LYS H 1 43 ALA H 1.800 . 3.300 2.438 2.305 2.684 . 0 0 "[ . 1 . 2]" 1
120 1 43 ALA H 1 44 ARG H 1.800 . 3.300 2.464 2.245 2.624 . 0 0 "[ . 1 . 2]" 1
121 1 44 ARG H 1 45 ILE H 1.800 . 3.300 2.569 2.368 2.795 . 0 0 "[ . 1 . 2]" 1
122 1 45 ILE H 1 46 ALA H 1.800 . 3.300 2.619 2.542 2.709 . 0 0 "[ . 1 . 2]" 1
123 1 46 ALA H 1 47 GLU H 1.800 . 3.300 2.589 2.507 2.733 . 0 0 "[ . 1 . 2]" 1
124 1 47 GLU H 1 48 ALA H 1.800 . 3.300 2.592 2.364 2.775 . 0 0 "[ . 1 . 2]" 1
125 1 48 ALA H 1 49 GLU H 1.800 . 3.300 2.709 2.601 2.825 . 0 0 "[ . 1 . 2]" 1
126 1 49 GLU H 1 50 LYS H 1.800 . 3.300 2.674 2.494 2.850 . 0 0 "[ . 1 . 2]" 1
127 1 50 LYS H 1 51 ALA H 1.800 . 3.300 2.524 2.298 2.692 . 0 0 "[ . 1 . 2]" 1
128 1 51 ALA H 1 52 GLY H 1.800 . 3.300 2.473 2.264 2.663 . 0 0 "[ . 1 . 2]" 1
129 1 52 GLY H 1 53 VAL H 1.800 . 3.300 2.032 1.794 2.270 0.006 7 0 "[ . 1 . 2]" 1
130 1 54 LYS H 1 55 SER H 1.800 . 3.300 2.077 1.815 2.187 . 0 0 "[ . 1 . 2]" 1
131 1 62 ASP H 1 63 GLY H 1.800 . 4.000 2.982 2.653 3.978 . 0 0 "[ . 1 . 2]" 1
132 1 63 GLY H 1 64 ALA H 1.800 . 4.000 2.201 1.740 2.853 0.060 4 0 "[ . 1 . 2]" 1
133 1 71 GLY H 1 72 ALA H 1.800 . 3.300 2.554 2.220 2.771 . 0 0 "[ . 1 . 2]" 1
134 1 74 ILE H 1 75 ASP H 1.800 . 4.000 2.522 2.432 2.663 . 0 0 "[ . 1 . 2]" 1
135 2 10 ALA H 2 11 GLY H 1.800 . 3.300 2.221 1.851 3.076 . 0 0 "[ . 1 . 2]" 1
136 2 11 GLY H 2 12 CYS H 1.800 . 3.300 2.852 2.402 3.419 0.119 11 0 "[ . 1 . 2]" 1
137 2 15 CYS H 2 16 VAL H 1.800 . 3.300 2.545 2.389 2.720 . 0 0 "[ . 1 . 2]" 1
138 2 16 VAL H 2 17 SER H 1.800 . 3.300 2.745 2.517 2.891 . 0 0 "[ . 1 . 2]" 1
139 2 17 SER H 2 18 ALA H 1.800 . 3.300 2.702 2.594 2.798 . 0 0 "[ . 1 . 2]" 1
140 2 18 ALA H 2 19 GLU H 1.800 . 3.300 2.643 2.522 2.755 . 0 0 "[ . 1 . 2]" 1
141 2 19 GLU H 2 20 GLN H 1.800 . 3.300 2.686 2.549 2.897 . 0 0 "[ . 1 . 2]" 1
142 2 21 ALA H 2 22 VAL H 1.800 . 3.300 2.515 2.362 2.662 . 0 0 "[ . 1 . 2]" 1
143 2 22 VAL H 2 23 ALA H 1.800 . 3.300 2.652 2.567 2.723 . 0 0 "[ . 1 . 2]" 1
144 2 23 ALA H 2 24 ASN H 1.800 . 3.300 2.571 2.491 2.618 . 0 0 "[ . 1 . 2]" 1
145 2 24 ASN H 2 25 ALA H 1.800 . 3.300 2.088 1.886 2.454 . 0 0 "[ . 1 . 2]" 1
146 2 25 ALA H 2 26 ILE H 1.800 . 3.000 2.483 2.267 2.632 . 0 0 "[ . 1 . 2]" 1
147 2 30 LYS H 2 31 TYR H 1.800 . 3.000 2.264 2.062 2.591 . 0 0 "[ . 1 . 2]" 1
148 2 38 LEU H 2 39 GLY H 1.800 . 4.000 2.498 2.143 4.032 0.032 6 0 "[ . 1 . 2]" 1
149 2 39 GLY H 2 40 THR H 1.800 . 3.300 2.699 2.293 3.319 0.019 11 0 "[ . 1 . 2]" 1
150 2 40 THR H 2 41 ASP H 1.800 . 3.300 2.298 1.751 2.800 0.049 17 0 "[ . 1 . 2]" 1
151 2 42 LYS H 2 43 ALA H 1.800 . 3.300 2.432 2.274 2.610 . 0 0 "[ . 1 . 2]" 1
152 2 43 ALA H 2 44 ARG H 1.800 . 3.300 2.531 2.244 2.715 . 0 0 "[ . 1 . 2]" 1
153 2 44 ARG H 2 45 ILE H 1.800 . 3.300 2.563 2.360 2.706 . 0 0 "[ . 1 . 2]" 1
154 2 45 ILE H 2 46 ALA H 1.800 . 3.300 2.672 2.547 2.843 . 0 0 "[ . 1 . 2]" 1
155 2 46 ALA H 2 47 GLU H 1.800 . 3.300 2.610 2.518 2.677 . 0 0 "[ . 1 . 2]" 1
156 2 47 GLU H 2 48 ALA H 1.800 . 3.300 2.559 2.196 2.766 . 0 0 "[ . 1 . 2]" 1
157 2 48 ALA H 2 49 GLU H 1.800 . 3.300 2.693 2.598 2.824 . 0 0 "[ . 1 . 2]" 1
158 2 49 GLU H 2 50 LYS H 1.800 . 3.300 2.679 2.523 2.871 . 0 0 "[ . 1 . 2]" 1
159 2 50 LYS H 2 51 ALA H 1.800 . 3.300 2.557 2.330 2.780 . 0 0 "[ . 1 . 2]" 1
160 2 51 ALA H 2 52 GLY H 1.800 . 3.300 2.486 2.290 2.690 . 0 0 "[ . 1 . 2]" 1
161 2 52 GLY H 2 53 VAL H 1.800 . 3.300 2.054 1.827 2.338 . 0 0 "[ . 1 . 2]" 1
162 2 54 LYS H 2 55 SER H 1.800 . 3.300 2.195 1.842 2.410 . 0 0 "[ . 1 . 2]" 1
163 2 62 ASP H 2 63 GLY H 1.800 . 4.000 3.185 2.679 4.019 0.019 9 0 "[ . 1 . 2]" 1
164 2 63 GLY H 2 64 ALA H 1.800 . 4.000 2.286 1.756 3.229 0.044 15 0 "[ . 1 . 2]" 1
165 2 71 GLY H 2 72 ALA H 1.800 . 3.300 3.235 2.926 3.376 0.076 3 0 "[ . 1 . 2]" 1
166 2 74 ILE H 2 75 ASP H 1.800 . 4.000 2.560 2.397 2.757 . 0 0 "[ . 1 . 2]" 1
167 1 10 ALA H 1 12 CYS H 1.800 . 6.000 3.327 2.718 5.034 . 0 0 "[ . 1 . 2]" 1
168 1 29 SER H 1 31 TYR H 1.800 . 5.000 4.039 3.759 4.703 . 0 0 "[ . 1 . 2]" 1
169 1 51 ALA H 1 53 VAL H 1.800 . 5.000 3.790 3.502 4.201 . 0 0 "[ . 1 . 2]" 1
170 1 39 GLY H 1 41 ASP H 1.800 . 5.000 4.332 3.615 5.021 0.021 12 0 "[ . 1 . 2]" 1
171 2 10 ALA H 2 12 CYS H 1.800 . 6.000 3.734 2.815 5.525 . 0 0 "[ . 1 . 2]" 1
172 2 29 SER H 2 31 TYR H 1.800 . 5.000 4.043 3.861 4.207 . 0 0 "[ . 1 . 2]" 1
173 2 51 ALA H 2 53 VAL H 1.800 . 5.000 3.779 3.370 4.258 . 0 0 "[ . 1 . 2]" 1
174 2 39 GLY H 2 41 ASP H 1.800 . 5.000 4.287 2.041 4.994 . 0 0 "[ . 1 . 2]" 1
175 1 5 ALA HA 1 6 ILE H 1.800 . 2.700 2.157 2.136 2.181 . 0 0 "[ . 1 . 2]" 1
176 1 6 ILE HA 1 7 PHE H 1.800 . 2.700 2.147 2.110 2.221 . 0 0 "[ . 1 . 2]" 1
177 1 7 PHE HA 1 8 TYR H 1.800 . 2.700 2.161 2.115 2.196 . 0 0 "[ . 1 . 2]" 1
178 1 8 TYR HA 1 9 HIS H 1.800 . 2.700 2.171 2.145 2.209 . 0 0 "[ . 1 . 2]" 1
179 1 26 ILE HA 1 27 ASP H 1.800 . 2.800 2.179 2.135 2.236 . 0 0 "[ . 1 . 2]" 1
180 1 31 TYR HA 1 32 THR H 1.800 . 2.700 2.229 2.118 2.427 . 0 0 "[ . 1 . 2]" 1
181 1 32 THR HA 1 33 VAL H 1.800 . 2.700 2.186 2.129 2.260 . 0 0 "[ . 1 . 2]" 1
182 1 33 VAL HA 1 34 GLU H 1.800 . 2.700 2.138 2.116 2.164 . 0 0 "[ . 1 . 2]" 1
183 1 34 GLU HA 1 35 ILE H 1.800 . 2.700 2.161 2.116 2.246 . 0 0 "[ . 1 . 2]" 1
184 1 35 ILE HA 1 36 VAL H 1.800 . 2.700 2.158 2.128 2.177 . 0 0 "[ . 1 . 2]" 1
185 1 36 VAL HA 1 37 HIS H 1.800 . 2.700 2.143 2.113 2.227 . 0 0 "[ . 1 . 2]" 1
186 1 37 HIS HA 1 38 LEU H 1.800 . 2.700 2.155 2.119 2.288 . 0 0 "[ . 1 . 2]" 1
187 1 53 VAL HA 1 54 LYS H 1.800 . 2.700 2.146 2.108 2.188 . 0 0 "[ . 1 . 2]" 1
188 1 57 PRO HA 1 58 ALA H 1.800 . 3.000 2.250 2.147 2.401 . 0 0 "[ . 1 . 2]" 1
189 1 58 ALA HA 1 59 LEU H 1.800 . 2.700 2.161 2.118 2.308 . 0 0 "[ . 1 . 2]" 1
190 1 59 LEU HA 1 60 VAL H 1.800 . 2.700 2.154 2.109 2.192 . 0 0 "[ . 1 . 2]" 1
191 1 62 ASP HA 1 63 GLY H 1.800 . 3.500 3.226 2.723 3.536 0.036 3 0 "[ . 1 . 2]" 1
192 1 65 ALA HA 1 66 PHE H 1.800 . 2.700 2.143 2.124 2.165 . 0 0 "[ . 1 . 2]" 1
193 1 66 PHE HA 1 67 HIS H 1.800 . 2.700 2.165 2.114 2.413 . 0 0 "[ . 1 . 2]" 1
194 1 67 HIS HA 1 68 ILE H 1.800 . 2.700 2.199 2.141 2.273 . 0 0 "[ . 1 . 2]" 1
195 1 68 ILE HA 1 69 ASN H 1.800 . 2.700 2.156 2.105 2.213 . 0 0 "[ . 1 . 2]" 1
196 2 5 ALA HA 2 6 ILE H 1.800 . 2.700 2.168 2.132 2.258 . 0 0 "[ . 1 . 2]" 1
197 2 6 ILE HA 2 7 PHE H 1.800 . 2.700 2.140 2.105 2.213 . 0 0 "[ . 1 . 2]" 1
198 2 7 PHE HA 2 8 TYR H 1.800 . 2.700 2.151 2.127 2.204 . 0 0 "[ . 1 . 2]" 1
199 2 8 TYR HA 2 9 HIS H 1.800 . 2.700 2.159 2.135 2.207 . 0 0 "[ . 1 . 2]" 1
200 2 26 ILE HA 2 27 ASP H 1.800 . 2.800 2.181 2.125 2.280 . 0 0 "[ . 1 . 2]" 1
201 2 31 TYR HA 2 32 THR H 1.800 . 2.700 2.266 2.131 2.454 . 0 0 "[ . 1 . 2]" 1
202 2 32 THR HA 2 33 VAL H 1.800 . 2.700 2.186 2.127 2.229 . 0 0 "[ . 1 . 2]" 1
203 2 33 VAL HA 2 34 GLU H 1.800 . 2.700 2.136 2.115 2.215 . 0 0 "[ . 1 . 2]" 1
204 2 34 GLU HA 2 35 ILE H 1.800 . 2.700 2.166 2.126 2.242 . 0 0 "[ . 1 . 2]" 1
205 2 35 ILE HA 2 36 VAL H 1.800 . 2.700 2.152 2.127 2.176 . 0 0 "[ . 1 . 2]" 1
206 2 36 VAL HA 2 37 HIS H 1.800 . 2.700 2.136 2.096 2.168 . 0 0 "[ . 1 . 2]" 1
207 2 37 HIS HA 2 38 LEU H 1.800 . 2.700 2.155 2.121 2.207 . 0 0 "[ . 1 . 2]" 1
208 2 53 VAL HA 2 54 LYS H 1.800 . 2.700 2.162 2.129 2.263 . 0 0 "[ . 1 . 2]" 1
209 2 57 PRO HA 2 58 ALA H 1.800 . 3.000 2.215 2.154 2.251 . 0 0 "[ . 1 . 2]" 1
210 2 58 ALA HA 2 59 LEU H 1.800 . 2.700 2.380 2.282 2.563 . 0 0 "[ . 1 . 2]" 1
211 2 59 LEU HA 2 60 VAL H 1.800 . 2.700 2.146 2.123 2.190 . 0 0 "[ . 1 . 2]" 1
212 2 62 ASP HA 2 63 GLY H 1.800 . 3.500 3.132 2.356 3.542 0.042 12 0 "[ . 1 . 2]" 1
213 2 65 ALA HA 2 66 PHE H 1.800 . 2.700 2.139 2.122 2.161 . 0 0 "[ . 1 . 2]" 1
214 2 66 PHE HA 2 67 HIS H 1.800 . 2.700 2.158 2.119 2.321 . 0 0 "[ . 1 . 2]" 1
215 2 67 HIS HA 2 68 ILE H 1.800 . 2.700 2.181 2.145 2.245 . 0 0 "[ . 1 . 2]" 1
216 2 68 ILE HA 2 69 ASN H 1.800 . 2.700 2.194 2.096 2.672 . 0 0 "[ . 1 . 2]" 1
217 1 23 ALA HA 1 25 ALA H 1.800 . 5.000 4.062 3.771 4.296 . 0 0 "[ . 1 . 2]" 1
218 1 28 PRO HA 1 30 LYS H 1.800 . 5.000 3.871 3.516 4.435 . 0 0 "[ . 1 . 2]" 1
219 1 42 LYS HA 1 44 ARG H 1.800 . 5.000 3.972 3.487 4.328 . 0 0 "[ . 1 . 2]" 1
220 1 43 ALA HA 1 45 ILE H 1.800 . 5.000 3.780 3.571 4.080 . 0 0 "[ . 1 . 2]" 1
221 1 53 VAL HA 1 55 SER H 1.800 . 6.000 3.551 3.208 4.001 . 0 0 "[ . 1 . 2]" 1
222 1 56 VAL HA 1 58 ALA H 1.800 . 5.000 3.011 2.552 3.456 . 0 0 "[ . 1 . 2]" 1
223 2 23 ALA HA 2 25 ALA H 1.800 . 5.000 4.068 3.830 4.341 . 0 0 "[ . 1 . 2]" 1
224 2 28 PRO HA 2 30 LYS H 1.800 . 5.000 3.866 3.512 4.565 . 0 0 "[ . 1 . 2]" 1
225 2 42 LYS HA 2 44 ARG H 1.800 . 5.000 3.996 3.321 4.563 . 0 0 "[ . 1 . 2]" 1
226 2 43 ALA HA 2 45 ILE H 1.800 . 5.000 3.855 3.410 4.164 . 0 0 "[ . 1 . 2]" 1
227 2 53 VAL HA 2 55 SER H 1.800 . 6.000 3.553 3.277 3.908 . 0 0 "[ . 1 . 2]" 1
228 2 56 VAL HA 2 58 ALA H 1.800 . 5.000 3.689 3.508 3.953 . 0 0 "[ . 1 . 2]" 1
229 1 13 PRO HA 1 16 VAL H 1.800 . 5.000 3.493 3.224 4.228 . 0 0 "[ . 1 . 2]" 1
230 1 14 VAL HA 1 17 SER H 1.800 . 5.000 3.668 3.407 4.102 . 0 0 "[ . 1 . 2]" 1
231 1 15 CYS HA 1 18 ALA H 1.800 . 5.500 3.367 2.971 3.616 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL HA 1 19 GLU H 1.800 . 5.000 3.419 3.055 3.698 . 0 0 "[ . 1 . 2]" 1
233 1 17 SER HA 1 20 GLN H 1.800 . 5.000 3.612 3.122 4.053 . 0 0 "[ . 1 . 2]" 1
234 1 18 ALA HA 1 21 ALA H 1.800 . 5.000 3.622 3.230 4.012 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLU HA 1 22 VAL H 1.800 . 6.000 4.593 4.183 4.954 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL HA 1 25 ALA H 1.800 . 5.000 3.341 3.115 3.578 . 0 0 "[ . 1 . 2]" 1
237 1 23 ALA HA 1 26 ILE H 1.800 . 5.000 3.459 3.060 3.811 . 0 0 "[ . 1 . 2]" 1
238 1 28 PRO HA 1 31 TYR H 1.800 . 5.000 3.485 3.267 3.854 . 0 0 "[ . 1 . 2]" 1
239 1 42 LYS HA 1 45 ILE H 1.800 . 5.000 3.341 3.103 3.743 . 0 0 "[ . 1 . 2]" 1
240 1 43 ALA HA 1 46 ALA H 1.800 . 5.000 3.658 3.027 5.014 0.014 11 0 "[ . 1 . 2]" 1
241 1 44 ARG HA 1 47 GLU H 1.800 . 5.000 2.959 2.455 3.622 . 0 0 "[ . 1 . 2]" 1
242 1 45 ILE HA 1 48 ALA H 1.800 . 5.000 3.304 3.059 3.678 . 0 0 "[ . 1 . 2]" 1
243 1 46 ALA HA 1 49 GLU H 1.800 . 5.000 3.445 3.148 3.884 . 0 0 "[ . 1 . 2]" 1
244 1 47 GLU HA 1 50 LYS H 1.800 . 5.000 3.413 2.981 3.766 . 0 0 "[ . 1 . 2]" 1
245 1 48 ALA HA 1 51 ALA H 1.800 . 5.000 3.340 3.180 3.568 . 0 0 "[ . 1 . 2]" 1
246 1 49 GLU HA 1 52 GLY H 1.800 . 5.000 3.482 2.989 4.019 . 0 0 "[ . 1 . 2]" 1
247 2 13 PRO HA 2 16 VAL H 1.800 . 5.000 3.623 3.213 4.416 . 0 0 "[ . 1 . 2]" 1
248 2 14 VAL HA 2 17 SER H 1.800 . 5.000 3.883 3.441 4.868 . 0 0 "[ . 1 . 2]" 1
249 2 15 CYS HA 2 18 ALA H 1.800 . 5.500 3.437 2.949 3.792 . 0 0 "[ . 1 . 2]" 1
250 2 16 VAL HA 2 19 GLU H 1.800 . 5.000 3.552 3.225 3.731 . 0 0 "[ . 1 . 2]" 1
251 2 17 SER HA 2 20 GLN H 1.800 . 5.000 3.577 3.261 3.920 . 0 0 "[ . 1 . 2]" 1
252 2 18 ALA HA 2 21 ALA H 1.800 . 5.000 3.641 3.372 3.895 . 0 0 "[ . 1 . 2]" 1
253 2 19 GLU HA 2 22 VAL H 1.800 . 6.000 4.551 4.050 5.079 . 0 0 "[ . 1 . 2]" 1
254 2 22 VAL HA 2 25 ALA H 1.800 . 5.000 3.302 3.123 3.487 . 0 0 "[ . 1 . 2]" 1
255 2 23 ALA HA 2 26 ILE H 1.800 . 5.000 3.507 3.220 3.941 . 0 0 "[ . 1 . 2]" 1
256 2 28 PRO HA 2 31 TYR H 1.800 . 5.000 3.479 3.059 4.072 . 0 0 "[ . 1 . 2]" 1
257 2 42 LYS HA 2 45 ILE H 1.800 . 5.000 3.399 2.994 4.168 . 0 0 "[ . 1 . 2]" 1
258 2 43 ALA HA 2 46 ALA H 1.800 . 5.000 3.700 3.289 4.556 . 0 0 "[ . 1 . 2]" 1
259 2 44 ARG HA 2 47 GLU H 1.800 . 5.000 3.093 2.758 3.626 . 0 0 "[ . 1 . 2]" 1
260 2 45 ILE HA 2 48 ALA H 1.800 . 5.000 3.355 3.105 3.588 . 0 0 "[ . 1 . 2]" 1
261 2 46 ALA HA 2 49 GLU H 1.800 . 5.000 3.427 3.185 3.657 . 0 0 "[ . 1 . 2]" 1
262 2 47 GLU HA 2 50 LYS H 1.800 . 5.000 3.355 3.063 3.755 . 0 0 "[ . 1 . 2]" 1
263 2 48 ALA HA 2 51 ALA H 1.800 . 5.000 3.343 3.069 3.546 . 0 0 "[ . 1 . 2]" 1
264 2 49 GLU HA 2 52 GLY H 1.800 . 5.000 3.508 3.083 3.965 . 0 0 "[ . 1 . 2]" 1
265 1 13 PRO HA 1 17 SER H 1.800 . 6.000 4.522 4.089 5.428 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL HA 1 20 GLN H 1.800 . 5.000 4.057 3.697 4.576 . 0 0 "[ . 1 . 2]" 1
267 1 18 ALA HA 1 22 VAL H 1.800 . 5.000 2.948 2.651 3.340 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLU HA 1 23 ALA H 1.800 . 5.000 3.036 2.618 3.774 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLN HA 1 24 ASN H 1.800 . 5.000 4.585 3.656 5.023 0.023 16 0 "[ . 1 . 2]" 1
270 1 44 ARG HA 1 48 ALA H 1.800 . 5.000 4.121 3.679 4.941 . 0 0 "[ . 1 . 2]" 1
271 1 46 ALA HA 1 50 LYS H 1.800 . 5.000 4.360 3.835 4.897 . 0 0 "[ . 1 . 2]" 1
272 1 60 VAL HA 1 64 ALA H 1.800 . 5.000 4.517 4.268 4.853 . 0 0 "[ . 1 . 2]" 1
273 2 13 PRO HA 2 17 SER H 1.800 . 6.000 4.620 4.151 5.149 . 0 0 "[ . 1 . 2]" 1
274 2 16 VAL HA 2 20 GLN H 1.800 . 5.000 4.161 3.761 4.615 . 0 0 "[ . 1 . 2]" 1
275 2 18 ALA HA 2 22 VAL H 1.800 . 5.000 3.025 2.515 3.748 . 0 0 "[ . 1 . 2]" 1
276 2 19 GLU HA 2 23 ALA H 1.800 . 5.000 3.111 2.793 3.685 . 0 0 "[ . 1 . 2]" 1
277 2 20 GLN HA 2 24 ASN H 1.800 . 5.000 4.704 4.001 5.030 0.030 9 0 "[ . 1 . 2]" 1
278 2 44 ARG HA 2 48 ALA H 1.800 . 5.000 4.165 3.791 4.661 . 0 0 "[ . 1 . 2]" 1
279 2 46 ALA HA 2 50 LYS H 1.800 . 5.000 4.444 3.926 5.029 0.029 18 0 "[ . 1 . 2]" 1
280 2 60 VAL HA 2 64 ALA H 1.800 . 5.000 4.599 4.113 5.001 0.001 7 0 "[ . 1 . 2]" 1
281 1 6 ILE MG 1 7 PHE H 1.800 . 5.000 2.823 2.411 3.608 . 0 0 "[ . 1 . 2]" 1
282 1 26 ILE MG 1 27 ASP H 1.800 . 4.000 2.998 2.354 3.427 . 0 0 "[ . 1 . 2]" 1
283 1 33 VAL MG1 1 34 GLU H 1.800 . 5.000 2.969 2.515 3.238 . 0 0 "[ . 1 . 2]" 1
284 1 35 ILE MG 1 36 VAL H 1.800 . 5.000 2.720 2.507 3.100 . 0 0 "[ . 1 . 2]" 1
285 1 36 VAL MG1 1 37 HIS H 1.800 . 5.000 2.785 2.338 3.019 . 0 0 "[ . 1 . 2]" 1
286 1 47 GLU QG 1 48 ALA H 1.800 . 5.000 3.866 3.231 4.150 . 0 0 "[ . 1 . 2]" 1
287 1 61 ILE MG 1 62 ASP H 1.800 . 5.000 3.169 2.789 3.428 . 0 0 "[ . 1 . 2]" 1
288 1 68 ILE MG 1 69 ASN H 1.800 . 5.000 3.232 3.010 3.418 . 0 0 "[ . 1 . 2]" 1
289 1 69 ASN QB 1 70 PHE H 1.800 . 5.000 2.802 1.774 3.962 0.026 11 0 "[ . 1 . 2]" 1
290 2 6 ILE MG 2 7 PHE H 1.800 . 5.000 2.874 2.396 3.709 . 0 0 "[ . 1 . 2]" 1
291 2 26 ILE MG 2 27 ASP H 1.800 . 4.000 3.024 2.447 3.597 . 0 0 "[ . 1 . 2]" 1
292 2 33 VAL MG1 2 34 GLU H 1.800 . 5.000 2.871 2.268 3.193 . 0 0 "[ . 1 . 2]" 1
293 2 35 ILE MG 2 36 VAL H 1.800 . 5.000 2.777 2.548 3.123 . 0 0 "[ . 1 . 2]" 1
294 2 36 VAL MG1 2 37 HIS H 1.800 . 5.000 2.788 2.565 3.183 . 0 0 "[ . 1 . 2]" 1
295 2 47 GLU QG 2 48 ALA H 1.800 . 5.000 3.861 3.394 4.128 . 0 0 "[ . 1 . 2]" 1
296 2 61 ILE MG 2 62 ASP H 1.800 . 5.000 3.163 2.867 3.447 . 0 0 "[ . 1 . 2]" 1
297 2 68 ILE MG 2 69 ASN H 1.800 . 5.000 3.037 1.743 3.350 0.057 16 0 "[ . 1 . 2]" 1
298 2 69 ASN QB 2 70 PHE H 1.800 . 5.000 2.648 1.767 3.652 0.033 13 0 "[ . 1 . 2]" 1
299 1 56 VAL MG1 1 58 ALA H 1.800 . 5.000 3.490 2.950 4.229 . 0 0 "[ . 1 . 2]" 1
300 2 56 VAL MG1 2 58 ALA H 1.800 . 5.000 4.764 3.767 5.019 0.019 4 0 "[ . 1 . 2]" 1
301 1 26 ILE MG 1 31 TYR H 1.800 . 4.000 3.297 2.753 3.792 . 0 0 "[ . 1 . 2]" 1
302 2 26 ILE MG 2 31 TYR H 1.800 . 4.000 3.371 3.016 3.750 . 0 0 "[ . 1 . 2]" 1
303 1 60 VAL MG1 1 63 GLY H 1.800 . 5.000 2.557 1.821 3.908 . 0 0 "[ . 1 . 2]" 1
304 2 60 VAL MG1 2 63 GLY H 1.800 . 5.000 2.724 1.933 3.884 . 0 0 "[ . 1 . 2]" 1
305 1 56 VAL HA 1 58 ALA MB 1.800 . 5.000 3.084 2.836 3.547 . 0 0 "[ . 1 . 2]" 1
306 2 56 VAL HA 2 58 ALA MB 1.800 . 5.000 3.318 2.957 3.529 . 0 0 "[ . 1 . 2]" 1
307 1 13 PRO HA 1 16 VAL MG2 1.800 . 5.000 2.618 2.050 4.087 . 0 0 "[ . 1 . 2]" 1
308 1 15 CYS HA 1 18 ALA MB 1.800 . 5.500 2.644 2.053 3.255 . 0 0 "[ . 1 . 2]" 1
309 1 16 VAL HA 1 19 GLU QB 1.800 . 5.000 2.613 2.146 3.029 . 0 0 "[ . 1 . 2]" 1
310 1 17 SER HA 1 20 GLN QB 1.800 . 5.000 3.097 2.481 3.854 . 0 0 "[ . 1 . 2]" 1
311 1 17 SER HA 1 20 GLN QG 1.800 . 5.000 4.212 3.048 5.006 0.006 12 0 "[ . 1 . 2]" 1
312 1 18 ALA HA 1 21 ALA MB 1.800 . 5.000 3.122 2.829 4.069 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL HA 1 25 ALA MB 1.800 . 5.000 2.661 2.391 3.091 . 0 0 "[ . 1 . 2]" 1
314 1 23 ALA HA 1 26 ILE MD 1.800 . 5.000 3.277 2.399 4.488 . 0 0 "[ . 1 . 2]" 1
315 1 23 ALA HA 1 26 ILE QG 1.800 . 6.000 3.666 2.821 4.516 . 0 0 "[ . 1 . 2]" 1
316 1 42 LYS HA 1 45 ILE MD 1.800 . 5.000 2.404 1.757 4.277 0.043 13 0 "[ . 1 . 2]" 1
317 1 45 ILE HA 1 48 ALA MB 1.800 . 5.000 2.613 2.400 3.001 . 0 0 "[ . 1 . 2]" 1
318 1 47 GLU HA 1 50 LYS QB 1.800 . 5.000 2.738 1.800 3.315 0.000 6 0 "[ . 1 . 2]" 1
319 1 47 GLU HA 1 50 LYS QG 1.800 . 5.000 3.542 2.471 4.316 . 0 0 "[ . 1 . 2]" 1
320 1 48 ALA HA 1 51 ALA MB 1.800 . 5.000 2.637 2.296 3.192 . 0 0 "[ . 1 . 2]" 1
321 1 74 ILE HA 1 77 LEU MD1 1.800 . 5.000 2.598 1.844 4.254 . 0 0 "[ . 1 . 2]" 1
322 2 13 PRO HA 2 16 VAL MG2 1.800 . 5.000 2.786 2.184 4.427 . 0 0 "[ . 1 . 2]" 1
323 2 15 CYS HA 2 18 ALA MB 1.800 . 5.500 2.590 1.960 3.256 . 0 0 "[ . 1 . 2]" 1
324 2 16 VAL HA 2 19 GLU QB 1.800 . 5.000 2.758 2.113 3.068 . 0 0 "[ . 1 . 2]" 1
325 2 17 SER HA 2 20 GLN QB 1.800 . 5.000 3.049 2.507 3.623 . 0 0 "[ . 1 . 2]" 1
326 2 17 SER HA 2 20 GLN QG 1.800 . 5.000 3.902 2.848 5.008 0.008 7 0 "[ . 1 . 2]" 1
327 2 18 ALA HA 2 21 ALA MB 1.800 . 5.000 3.197 2.505 3.794 . 0 0 "[ . 1 . 2]" 1
328 2 22 VAL HA 2 25 ALA MB 1.800 . 5.000 2.587 2.295 2.956 . 0 0 "[ . 1 . 2]" 1
329 2 23 ALA HA 2 26 ILE MD 1.800 . 5.000 3.788 2.864 4.561 . 0 0 "[ . 1 . 2]" 1
330 2 23 ALA HA 2 26 ILE QG 1.800 . 6.000 4.131 3.386 4.678 . 0 0 "[ . 1 . 2]" 1
331 2 42 LYS HA 2 45 ILE MD 1.800 . 5.000 2.413 1.801 4.462 . 0 0 "[ . 1 . 2]" 1
332 2 45 ILE HA 2 48 ALA MB 1.800 . 5.000 2.661 2.349 2.934 . 0 0 "[ . 1 . 2]" 1
333 2 47 GLU HA 2 50 LYS QB 1.800 . 5.000 2.827 2.047 3.280 . 0 0 "[ . 1 . 2]" 1
334 2 47 GLU HA 2 50 LYS QG 1.800 . 5.000 3.144 2.181 4.185 . 0 0 "[ . 1 . 2]" 1
335 2 48 ALA HA 2 51 ALA MB 1.800 . 5.000 2.677 2.209 3.121 . 0 0 "[ . 1 . 2]" 1
336 2 74 ILE HA 2 77 LEU MD1 1.800 . 5.000 2.858 1.881 4.115 . 0 0 "[ . 1 . 2]" 1
337 1 18 ALA HA 1 22 VAL MG2 1.800 . 5.000 2.506 2.204 2.850 . 0 0 "[ . 1 . 2]" 1
338 1 19 GLU HA 1 23 ALA MB 1.800 . 4.000 2.097 1.812 3.313 . 0 0 "[ . 1 . 2]" 1
339 1 20 GLN HA 1 24 ASN QD 1.800 . 5.000 3.241 2.214 4.724 . 0 0 "[ . 1 . 2]" 1
340 2 18 ALA HA 2 22 VAL MG2 1.800 . 5.000 2.521 2.158 3.063 . 0 0 "[ . 1 . 2]" 1
341 2 19 GLU HA 2 23 ALA MB 1.800 . 4.000 2.264 1.785 3.514 0.015 17 0 "[ . 1 . 2]" 1
342 2 20 GLN HA 2 24 ASN QD 1.800 . 5.000 3.487 2.067 4.603 . 0 0 "[ . 1 . 2]" 1
343 1 5 ALA MB 1 26 ILE MD 1.800 . 5.000 3.448 2.706 4.093 . 0 0 "[ . 1 . 2]" 1
344 1 5 ALA MB 1 33 VAL MG1 1.800 . 6.000 3.204 2.703 3.883 . 0 0 "[ . 1 . 2]" 1
345 1 5 ALA MB 1 59 LEU MD1 1.800 . 5.000 2.902 1.982 4.098 . 0 0 "[ . 1 . 2]" 1
346 1 5 ALA MB 1 59 LEU MD2 1.800 . 6.000 2.868 1.778 4.799 0.022 10 0 "[ . 1 . 2]" 1
347 1 5 ALA MB 1 61 ILE MD 1.800 . 5.000 3.805 2.211 4.848 . 0 0 "[ . 1 . 2]" 1
348 1 5 ALA MB 1 61 ILE MG 1.800 . 5.000 3.098 2.423 3.834 . 0 0 "[ . 1 . 2]" 1
349 2 5 ALA MB 2 26 ILE MD 1.800 . 5.000 3.432 2.489 3.989 . 0 0 "[ . 1 . 2]" 1
350 2 5 ALA MB 2 33 VAL MG1 1.800 . 6.000 3.087 2.511 3.504 . 0 0 "[ . 1 . 2]" 1
351 2 5 ALA MB 2 59 LEU MD1 1.800 . 5.000 2.736 2.057 3.576 . 0 0 "[ . 1 . 2]" 1
352 2 5 ALA MB 2 59 LEU MD2 1.800 . 6.000 2.954 1.784 5.259 0.016 13 0 "[ . 1 . 2]" 1
353 2 5 ALA MB 2 61 ILE MD 1.800 . 5.000 3.722 2.320 4.728 . 0 0 "[ . 1 . 2]" 1
354 2 5 ALA MB 2 61 ILE MG 1.800 . 5.000 3.043 2.461 3.766 . 0 0 "[ . 1 . 2]" 1
355 1 4 LYS QD 1 6 ILE MD 1.800 . 5.000 3.136 1.879 4.219 . 0 0 "[ . 1 . 2]" 1
356 1 4 LYS QG 1 6 ILE MD 1.800 . 5.000 3.036 2.100 3.545 . 0 0 "[ . 1 . 2]" 1
357 1 4 LYS QE 1 6 ILE MD 1.800 . 5.000 2.598 1.777 4.703 0.023 17 0 "[ . 1 . 2]" 1
358 1 4 LYS QE 1 6 ILE MG 1.800 . 6.000 4.306 2.303 6.016 0.016 1 0 "[ . 1 . 2]" 1
359 2 4 LYS QD 2 6 ILE MD 1.800 . 5.000 3.063 1.794 4.703 0.006 12 0 "[ . 1 . 2]" 1
360 2 4 LYS QG 2 6 ILE MD 1.800 . 5.000 3.044 2.033 3.969 . 0 0 "[ . 1 . 2]" 1
361 2 4 LYS QE 2 6 ILE MD 1.800 . 5.000 2.376 1.787 4.105 0.013 17 0 "[ . 1 . 2]" 1
362 2 4 LYS QE 2 6 ILE MG 1.800 . 6.000 4.259 1.956 5.972 . 0 0 "[ . 1 . 2]" 1
363 1 6 ILE MG 1 34 GLU QB 1.800 . 5.000 2.741 1.795 3.914 0.005 12 0 "[ . 1 . 2]" 1
364 1 6 ILE MG 1 36 VAL MG2 1.800 . 5.000 2.224 1.995 3.036 . 0 0 "[ . 1 . 2]" 1
365 2 6 ILE MG 2 34 GLU QB 1.800 . 5.000 2.826 1.871 3.587 . 0 0 "[ . 1 . 2]" 1
366 2 6 ILE MG 2 36 VAL MG2 1.800 . 5.000 2.247 1.967 2.860 . 0 0 "[ . 1 . 2]" 1
367 1 8 TYR QB 1 56 VAL MG1 1.800 . 5.000 2.858 2.306 3.492 . 0 0 "[ . 1 . 2]" 1
368 1 8 TYR QB 1 58 ALA MB 1.800 . 5.000 2.420 1.831 2.789 . 0 0 "[ . 1 . 2]" 1
369 2 8 TYR QB 2 56 VAL MG1 1.800 . 5.000 2.805 2.129 3.504 . 0 0 "[ . 1 . 2]" 1
370 2 8 TYR QB 2 58 ALA MB 1.800 . 5.000 3.149 2.639 3.677 . 0 0 "[ . 1 . 2]" 1
371 1 10 ALA MB 1 56 VAL MG1 1.800 . 5.000 3.033 2.445 3.508 . 0 0 "[ . 1 . 2]" 1
372 1 10 ALA MB 1 56 VAL MG2 1.800 . 5.000 2.320 1.798 3.215 0.002 11 0 "[ . 1 . 2]" 1
373 1 10 ALA MB 1 77 LEU MD1 1.800 . 5.000 2.862 1.882 3.807 . 0 0 "[ . 1 . 2]" 1
374 1 10 ALA MB 1 77 LEU MD2 1.800 . 5.000 3.292 2.321 4.679 . 0 0 "[ . 1 . 2]" 1
375 2 10 ALA MB 2 56 VAL MG1 1.800 . 5.000 2.685 1.899 4.099 . 0 0 "[ . 1 . 2]" 1
376 2 10 ALA MB 2 56 VAL MG2 1.800 . 5.000 2.615 1.901 3.199 . 0 0 "[ . 1 . 2]" 1
377 2 10 ALA MB 2 77 LEU MD1 1.800 . 5.000 3.103 2.250 4.533 . 0 0 "[ . 1 . 2]" 1
378 2 10 ALA MB 2 77 LEU MD2 1.800 . 5.000 3.402 2.222 5.010 0.010 6 0 "[ . 1 . 2]" 1
379 1 14 VAL MG1 1 57 PRO QG 1.800 . 5.000 3.168 2.381 4.973 . 0 0 "[ . 1 . 2]" 1
380 1 14 VAL MG1 1 57 PRO QD 1.800 . 5.000 2.829 2.232 4.163 . 0 0 "[ . 1 . 2]" 1
381 1 14 VAL MG1 1 69 ASN QB 1.800 . 5.000 2.362 1.903 3.045 . 0 0 "[ . 1 . 2]" 1
382 1 14 VAL MG1 1 69 ASN QD 1.800 . 5.000 2.771 1.904 3.679 . 0 0 "[ . 1 . 2]" 1
383 2 14 VAL MG1 2 57 PRO QG 1.800 . 5.000 3.267 2.773 3.642 . 0 0 "[ . 1 . 2]" 1
384 2 14 VAL MG1 2 57 PRO QD 1.800 . 5.000 4.879 4.459 5.079 0.079 11 0 "[ . 1 . 2]" 1
385 2 14 VAL MG1 2 69 ASN QB 1.800 . 5.000 2.668 1.935 3.640 . 0 0 "[ . 1 . 2]" 1
386 2 14 VAL MG1 2 69 ASN QD 1.800 . 5.000 3.093 2.010 4.498 . 0 0 "[ . 1 . 2]" 1
387 1 16 VAL MG1 1 20 GLN QE 1.800 . 6.000 3.480 2.571 5.930 . 0 0 "[ . 1 . 2]" 1
388 2 16 VAL MG1 2 20 GLN QE 1.800 . 6.000 3.256 2.462 6.006 0.006 18 0 "[ . 1 . 2]" 1
389 1 18 ALA MB 1 22 VAL MG2 1.800 . 5.500 2.997 2.706 3.335 . 0 0 "[ . 1 . 2]" 1
390 2 18 ALA MB 2 22 VAL MG2 1.800 . 5.500 2.978 2.643 3.299 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLU QG 1 24 ASN QD 1.800 . 6.000 4.979 2.774 6.031 0.031 12 0 "[ . 1 . 2]" 1
392 2 19 GLU QG 2 24 ASN QD 1.800 . 6.000 5.164 3.315 6.034 0.034 18 0 "[ . 1 . 2]" 1
393 1 19 GLU QG 1 23 ALA MB 1.800 . 5.500 2.755 2.243 3.412 . 0 0 "[ . 1 . 2]" 1
394 1 23 ALA MB 1 33 VAL MG1 1.800 . 5.000 2.528 1.852 3.083 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA MB 1 33 VAL MG2 1.800 . 5.500 3.598 2.586 4.338 . 0 0 "[ . 1 . 2]" 1
396 1 23 ALA MB 1 35 ILE MD 1.800 . 5.000 2.991 2.632 3.329 . 0 0 "[ . 1 . 2]" 1
397 1 23 ALA MB 1 35 ILE QG 1.800 . 6.000 3.855 3.351 4.697 . 0 0 "[ . 1 . 2]" 1
398 1 23 ALA MB 1 35 ILE MG 1.800 . 6.000 4.827 4.423 5.281 . 0 0 "[ . 1 . 2]" 1
399 2 19 GLU QG 2 23 ALA MB 1.800 . 5.500 2.816 2.461 3.322 . 0 0 "[ . 1 . 2]" 1
400 2 23 ALA MB 2 33 VAL MG1 1.800 . 5.000 2.624 2.147 3.354 . 0 0 "[ . 1 . 2]" 1
401 2 23 ALA MB 2 33 VAL MG2 1.800 . 5.500 3.606 2.826 4.474 . 0 0 "[ . 1 . 2]" 1
402 2 23 ALA MB 2 35 ILE MD 1.800 . 5.000 2.983 1.994 3.548 . 0 0 "[ . 1 . 2]" 1
403 2 23 ALA MB 2 35 ILE QG 1.800 . 6.000 3.948 2.652 4.733 . 0 0 "[ . 1 . 2]" 1
404 2 23 ALA MB 2 35 ILE MG 1.800 . 6.000 4.922 3.666 5.615 . 0 0 "[ . 1 . 2]" 1
405 1 4 LYS QB 1 32 THR MG 1.800 . 6.000 4.206 2.669 5.950 . 0 0 "[ . 1 . 2]" 1
406 1 4 LYS QD 1 32 THR MG 1.800 . 6.000 4.401 3.479 6.001 0.001 16 0 "[ . 1 . 2]" 1
407 2 4 LYS QB 2 32 THR MG 1.800 . 6.000 4.015 2.741 5.240 . 0 0 "[ . 1 . 2]" 1
408 2 4 LYS QD 2 32 THR MG 1.800 . 6.000 4.577 3.004 6.017 0.017 5 0 "[ . 1 . 2]" 1
409 1 7 PHE QB 1 33 VAL MG1 1.800 . 5.500 2.823 2.395 3.735 . 0 0 "[ . 1 . 2]" 1
410 1 33 VAL MG1 1 35 ILE MD 1.800 . 5.000 2.775 2.186 3.396 . 0 0 "[ . 1 . 2]" 1
411 1 33 VAL MG1 1 35 ILE QG 1.800 . 5.000 2.554 2.026 3.326 . 0 0 "[ . 1 . 2]" 1
412 2 7 PHE QB 2 33 VAL MG1 1.800 . 5.500 2.978 2.478 3.758 . 0 0 "[ . 1 . 2]" 1
413 2 33 VAL MG1 2 35 ILE MD 1.800 . 5.000 2.859 2.134 3.768 . 0 0 "[ . 1 . 2]" 1
414 2 33 VAL MG1 2 35 ILE QG 1.800 . 5.000 2.631 1.898 3.273 . 0 0 "[ . 1 . 2]" 1
415 1 7 PHE QB 1 35 ILE MD 1.800 . 5.000 3.043 1.856 4.069 . 0 0 "[ . 1 . 2]" 1
416 1 19 GLU QG 1 35 ILE MD 1.800 . 6.000 2.435 1.795 3.451 0.005 7 0 "[ . 1 . 2]" 1
417 2 7 PHE QB 2 35 ILE MD 1.800 . 5.000 2.954 1.819 4.107 . 0 0 "[ . 1 . 2]" 1
418 2 19 GLU QG 2 35 ILE MD 1.800 . 6.000 2.558 2.040 3.556 . 0 0 "[ . 1 . 2]" 1
419 1 36 VAL MG1 1 41 ASP QB 1.800 . 5.000 4.542 2.889 5.024 0.024 5 0 "[ . 1 . 2]" 1
420 1 36 VAL MG1 1 44 ARG HE 1.800 . 5.000 3.745 2.400 4.927 . 0 0 "[ . 1 . 2]" 1
421 2 36 VAL MG1 2 41 ASP QB 1.800 . 5.000 4.529 3.402 5.000 . 0 0 "[ . 1 . 2]" 1
422 2 36 VAL MG1 2 44 ARG HE 1.800 . 5.000 3.793 2.332 5.030 0.030 11 0 "[ . 1 . 2]" 1
423 1 34 GLU QG 1 36 VAL MG2 1.800 . 5.000 3.585 2.181 5.023 0.023 1 0 "[ . 1 . 2]" 1
424 2 34 GLU QG 2 36 VAL MG2 1.800 . 5.000 3.615 2.259 5.042 0.042 6 0 "[ . 1 . 2]" 1
425 1 8 TYR QB 1 38 LEU MD1 1.800 . 5.000 2.622 1.842 4.372 . 0 0 "[ . 1 . 2]" 1
426 1 38 LEU MD1 1 45 ILE MD 1.800 . 5.000 4.163 2.338 5.012 0.012 17 0 "[ . 1 . 2]" 1
427 1 38 LEU MD1 1 45 ILE MG 1.800 . 5.000 3.855 2.785 4.610 . 0 0 "[ . 1 . 2]" 1
428 1 38 LEU MD1 1 48 ALA MB 1.800 . 5.000 2.568 2.043 3.219 . 0 0 "[ . 1 . 2]" 1
429 1 38 LEU MD1 1 77 LEU MD1 1.800 . 6.000 3.401 2.477 4.637 . 0 0 "[ . 1 . 2]" 1
430 2 8 TYR QB 2 38 LEU MD1 1.800 . 5.000 2.947 1.794 4.680 0.006 4 0 "[ . 1 . 2]" 1
431 2 38 LEU MD1 2 45 ILE MD 1.800 . 5.000 4.071 3.174 5.011 0.011 4 0 "[ . 1 . 2]" 1
432 2 38 LEU MD1 2 45 ILE MG 1.800 . 5.000 3.688 3.007 4.752 . 0 0 "[ . 1 . 2]" 1
433 2 38 LEU MD1 2 48 ALA MB 1.800 . 5.000 2.798 2.182 3.616 . 0 0 "[ . 1 . 2]" 1
434 2 38 LEU MD1 2 77 LEU MD1 1.800 . 6.000 3.416 2.492 4.614 . 0 0 "[ . 1 . 2]" 1
435 1 38 LEU MD2 1 44 ARG QB 1.800 . 5.000 2.637 1.796 4.975 0.004 5 0 "[ . 1 . 2]" 1
436 1 38 LEU MD2 1 45 ILE MD 1.800 . 5.000 4.082 1.795 4.998 0.005 20 0 "[ . 1 . 2]" 1
437 1 38 LEU MD2 1 48 ALA MB 1.800 . 5.000 2.445 1.872 2.888 . 0 0 "[ . 1 . 2]" 1
438 1 38 LEU MD2 1 74 ILE MD 1.800 . 5.000 4.160 2.624 5.012 0.012 1 0 "[ . 1 . 2]" 1
439 2 38 LEU MD2 2 44 ARG QB 1.800 . 5.000 2.582 1.812 4.453 . 0 0 "[ . 1 . 2]" 1
440 2 38 LEU MD2 2 45 ILE MD 1.800 . 5.000 4.204 3.348 5.003 0.003 3 0 "[ . 1 . 2]" 1
441 2 38 LEU MD2 2 48 ALA MB 1.800 . 5.000 2.725 1.995 3.494 . 0 0 "[ . 1 . 2]" 1
442 2 38 LEU MD2 2 74 ILE MD 1.800 . 5.000 4.193 3.157 5.054 0.054 12 0 "[ . 1 . 2]" 1
443 1 42 LYS QG 1 45 ILE MD 1.800 . 5.000 2.803 2.118 4.229 . 0 0 "[ . 1 . 2]" 1
444 1 42 LYS QD 1 45 ILE MD 1.800 . 5.000 3.877 2.603 5.009 0.009 16 0 "[ . 1 . 2]" 1
445 1 42 LYS QE 1 45 ILE MD 1.800 . 5.000 4.210 3.516 5.035 0.035 20 0 "[ . 1 . 2]" 1
446 1 45 ILE MD 1 74 ILE MD 1.800 . 5.000 4.222 2.731 5.014 0.014 18 0 "[ . 1 . 2]" 1
447 1 45 ILE MD 1 77 LEU MD1 1.800 . 5.000 3.421 2.530 4.111 . 0 0 "[ . 1 . 2]" 1
448 1 45 ILE MD 1 77 LEU MD2 1.800 . 5.000 4.179 2.179 5.017 0.017 17 0 "[ . 1 . 2]" 1
449 2 42 LYS QG 2 45 ILE MD 1.800 . 5.000 2.604 1.880 4.156 . 0 0 "[ . 1 . 2]" 1
450 2 42 LYS QD 2 45 ILE MD 1.800 . 5.000 3.703 2.508 5.049 0.049 11 0 "[ . 1 . 2]" 1
451 2 42 LYS QE 2 45 ILE MD 1.800 . 5.000 3.869 3.012 4.731 . 0 0 "[ . 1 . 2]" 1
452 2 45 ILE MD 2 74 ILE MD 1.800 . 5.000 4.291 3.399 4.817 . 0 0 "[ . 1 . 2]" 1
453 2 45 ILE MD 2 77 LEU MD1 1.800 . 5.000 3.091 2.332 3.980 . 0 0 "[ . 1 . 2]" 1
454 2 45 ILE MD 2 77 LEU MD2 1.800 . 5.000 4.130 2.636 5.006 0.006 11 0 "[ . 1 . 2]" 1
455 1 45 ILE MG 1 48 ALA MB 1.800 . 6.000 3.474 3.062 4.457 . 0 0 "[ . 1 . 2]" 1
456 1 45 ILE MG 1 49 GLU QB 1.800 . 6.000 4.092 3.131 5.122 . 0 0 "[ . 1 . 2]" 1
457 1 45 ILE MG 1 49 GLU QG 1.800 . 5.000 3.779 2.463 5.027 0.027 17 0 "[ . 1 . 2]" 1
458 1 45 ILE MG 1 74 ILE QG 1.800 . 6.000 2.511 1.800 4.811 . 13 0 "[ . 1 . 2]" 1
459 1 45 ILE MG 1 74 ILE MD 1.800 . 5.000 2.328 1.792 4.121 0.008 4 0 "[ . 1 . 2]" 1
460 1 45 ILE MG 1 78 LYS QD 1.800 . 6.000 3.900 2.109 5.606 . 0 0 "[ . 1 . 2]" 1
461 1 45 ILE MG 1 78 LYS QE 1.800 . 5.000 3.352 2.043 4.776 . 0 0 "[ . 1 . 2]" 1
462 2 45 ILE MG 2 48 ALA MB 1.800 . 6.000 3.495 2.890 4.406 . 0 0 "[ . 1 . 2]" 1
463 2 45 ILE MG 2 49 GLU QB 1.800 . 6.000 4.278 3.216 5.076 . 0 0 "[ . 1 . 2]" 1
464 2 45 ILE MG 2 49 GLU QG 1.800 . 5.000 3.266 2.546 5.024 0.024 20 0 "[ . 1 . 2]" 1
465 2 45 ILE MG 2 74 ILE QG 1.800 . 6.000 2.580 1.937 4.296 . 0 0 "[ . 1 . 2]" 1
466 2 45 ILE MG 2 74 ILE MD 1.800 . 5.000 2.286 1.796 4.008 0.004 6 0 "[ . 1 . 2]" 1
467 2 45 ILE MG 2 78 LYS QD 1.800 . 6.000 4.213 2.822 5.327 . 0 0 "[ . 1 . 2]" 1
468 2 45 ILE MG 2 78 LYS QE 1.800 . 5.000 3.660 2.068 5.020 0.020 10 0 "[ . 1 . 2]" 1
469 1 46 ALA MB 1 49 GLU QB 1.800 . 6.000 3.993 3.581 4.462 . 0 0 "[ . 1 . 2]" 1
470 1 46 ALA MB 1 49 GLU QG 1.800 . 6.000 4.766 3.842 6.003 0.003 13 0 "[ . 1 . 2]" 1
471 1 46 ALA MB 1 50 LYS QD 1.800 . 6.000 4.240 3.486 4.866 . 0 0 "[ . 1 . 2]" 1
472 1 46 ALA MB 1 50 LYS QE 1.800 . 6.000 3.901 2.378 6.037 0.037 16 0 "[ . 1 . 2]" 1
473 2 46 ALA MB 2 49 GLU QB 1.800 . 6.000 3.978 3.585 4.388 . 0 0 "[ . 1 . 2]" 1
474 2 46 ALA MB 2 49 GLU QG 1.800 . 6.000 4.549 3.941 5.563 . 0 0 "[ . 1 . 2]" 1
475 2 46 ALA MB 2 50 LYS QD 1.800 . 6.000 4.463 3.705 5.291 . 0 0 "[ . 1 . 2]" 1
476 2 46 ALA MB 2 50 LYS QE 1.800 . 6.000 3.631 2.413 6.017 0.017 15 0 "[ . 1 . 2]" 1
477 1 48 ALA MB 1 51 ALA MB 1.800 . 5.000 3.848 3.586 4.432 . 0 0 "[ . 1 . 2]" 1
478 1 48 ALA MB 1 53 VAL HB 1.800 . 5.000 1.916 1.786 2.395 0.014 20 0 "[ . 1 . 2]" 1
479 1 48 ALA MB 1 53 VAL MG1 1.800 . 5.000 2.672 2.472 2.948 . 0 0 "[ . 1 . 2]" 1
480 1 48 ALA MB 1 53 VAL MG2 1.800 . 5.000 2.598 1.934 3.418 . 0 0 "[ . 1 . 2]" 1
481 1 48 ALA MB 1 74 ILE MD 1.800 . 5.000 2.306 1.843 2.863 . 0 0 "[ . 1 . 2]" 1
482 2 48 ALA MB 2 51 ALA MB 1.800 . 5.000 3.856 3.449 4.281 . 0 0 "[ . 1 . 2]" 1
483 2 48 ALA MB 2 53 VAL HB 1.800 . 5.000 1.898 1.775 2.187 0.025 10 0 "[ . 1 . 2]" 1
484 2 48 ALA MB 2 53 VAL MG1 1.800 . 5.000 2.718 2.415 2.985 . 0 0 "[ . 1 . 2]" 1
485 2 48 ALA MB 2 53 VAL MG2 1.800 . 5.000 2.689 2.228 3.160 . 0 0 "[ . 1 . 2]" 1
486 2 48 ALA MB 2 74 ILE MD 1.800 . 5.000 2.387 1.973 3.264 . 0 0 "[ . 1 . 2]" 1
487 1 49 GLU QB 1 74 ILE MD 1.800 . 6.000 3.320 1.951 4.944 . 0 0 "[ . 1 . 2]" 1
488 1 49 GLU QG 1 74 ILE MD 1.800 . 5.000 2.713 1.797 4.115 0.003 3 0 "[ . 1 . 2]" 1
489 1 49 GLU QB 1 74 ILE MG 1.800 . 6.000 4.498 3.000 5.713 . 0 0 "[ . 1 . 2]" 1
490 1 49 GLU QG 1 74 ILE MG 1.800 . 5.000 3.556 2.233 4.687 . 0 0 "[ . 1 . 2]" 1
491 2 49 GLU QB 2 74 ILE MD 1.800 . 6.000 3.698 2.061 4.988 . 0 0 "[ . 1 . 2]" 1
492 2 49 GLU QG 2 74 ILE MD 1.800 . 5.000 2.436 1.793 3.701 0.007 13 0 "[ . 1 . 2]" 1
493 2 49 GLU QB 2 74 ILE MG 1.800 . 6.000 4.513 3.229 5.668 . 0 0 "[ . 1 . 2]" 1
494 2 49 GLU QG 2 74 ILE MG 1.800 . 5.000 3.057 2.119 4.369 . 0 0 "[ . 1 . 2]" 1
495 1 51 ALA MB 1 53 VAL MG2 1.800 . 5.000 2.311 1.911 2.639 . 0 0 "[ . 1 . 2]" 1
496 1 51 ALA MB 1 60 VAL MG1 1.800 . 5.000 3.138 1.897 4.127 . 0 0 "[ . 1 . 2]" 1
497 1 51 ALA MB 1 60 VAL MG2 1.800 . 5.000 2.985 1.944 3.731 . 0 0 "[ . 1 . 2]" 1
498 1 51 ALA MB 1 65 ALA MB 1.800 . 5.000 3.853 3.297 4.939 . 0 0 "[ . 1 . 2]" 1
499 2 51 ALA MB 2 53 VAL MG2 1.800 . 5.000 2.255 1.929 2.466 . 0 0 "[ . 1 . 2]" 1
500 2 51 ALA MB 2 60 VAL MG1 1.800 . 5.000 3.231 2.289 4.232 . 0 0 "[ . 1 . 2]" 1
501 2 51 ALA MB 2 60 VAL MG2 1.800 . 5.000 3.345 2.239 4.410 . 0 0 "[ . 1 . 2]" 1
502 2 51 ALA MB 2 65 ALA MB 1.800 . 5.000 4.031 3.015 4.973 . 0 0 "[ . 1 . 2]" 1
503 1 53 VAL MG1 1 58 ALA MB 1.800 . 5.000 2.085 1.949 2.285 . 0 0 "[ . 1 . 2]" 1
504 1 53 VAL MG1 1 65 ALA MB 1.800 . 6.000 3.958 3.336 4.460 . 0 0 "[ . 1 . 2]" 1
505 2 53 VAL MG1 2 58 ALA MB 1.800 . 5.000 2.663 2.303 3.169 . 0 0 "[ . 1 . 2]" 1
506 2 53 VAL MG1 2 65 ALA MB 1.800 . 6.000 3.501 2.530 4.260 . 0 0 "[ . 1 . 2]" 1
507 1 53 VAL MG2 1 58 ALA MB 1.800 . 5.000 2.583 2.106 3.201 . 0 0 "[ . 1 . 2]" 1
508 1 53 VAL MG2 1 60 VAL MG2 1.800 . 6.000 2.556 2.223 3.113 . 0 0 "[ . 1 . 2]" 1
509 1 53 VAL MG2 1 65 ALA MB 1.800 . 5.000 2.819 2.196 3.383 . 0 0 "[ . 1 . 2]" 1
510 2 53 VAL MG2 2 58 ALA MB 1.800 . 5.000 3.728 3.082 4.330 . 0 0 "[ . 1 . 2]" 1
511 2 53 VAL MG2 2 60 VAL MG2 1.800 . 6.000 2.258 1.804 2.872 . 0 0 "[ . 1 . 2]" 1
512 2 53 VAL MG2 2 65 ALA MB 1.800 . 5.000 2.583 2.034 3.206 . 0 0 "[ . 1 . 2]" 1
513 1 56 VAL MG1 1 58 ALA MB 1.800 . 6.000 3.439 2.822 4.179 . 0 0 "[ . 1 . 2]" 1
514 1 56 VAL MG2 1 72 ALA MB 1.800 . 5.000 2.169 1.866 2.488 . 0 0 "[ . 1 . 2]" 1
515 1 56 VAL MG2 1 77 LEU MD1 1.800 . 5.000 2.929 2.402 3.705 . 0 0 "[ . 1 . 2]" 1
516 2 56 VAL MG1 2 58 ALA MB 1.800 . 6.000 4.535 3.826 4.784 . 0 0 "[ . 1 . 2]" 1
517 2 56 VAL MG2 2 72 ALA MB 1.800 . 5.000 1.803 1.747 1.986 0.053 10 0 "[ . 1 . 2]" 1
518 2 56 VAL MG2 2 77 LEU MD1 1.800 . 5.000 2.551 1.832 3.844 . 0 0 "[ . 1 . 2]" 1
519 1 58 ALA MB 1 65 ALA MB 1.800 . 5.000 2.806 1.958 3.725 . 0 0 "[ . 1 . 2]" 1
520 2 58 ALA MB 2 65 ALA MB 1.800 . 5.000 3.472 3.154 4.435 . 0 0 "[ . 1 . 2]" 1
521 1 59 LEU QB 1 66 PHE QB 1.800 . 6.000 2.714 2.283 3.604 . 0 0 "[ . 1 . 2]" 1
522 2 59 LEU QB 2 66 PHE QB 1.800 . 6.000 3.272 2.641 4.952 . 0 0 "[ . 1 . 2]" 1
523 1 59 LEU MD1 1 61 ILE MD 1.800 . 5.000 3.363 2.549 3.959 . 0 0 "[ . 1 . 2]" 1
524 1 59 LEU MD2 1 61 ILE MD 1.800 . 5.000 2.447 2.017 2.991 . 0 0 "[ . 1 . 2]" 1
525 1 59 LEU MD2 1 68 ILE MD 1.800 . 6.000 3.228 1.976 4.940 . 0 0 "[ . 1 . 2]" 1
526 2 59 LEU MD1 2 61 ILE MD 1.800 . 5.000 3.615 1.936 4.455 . 0 0 "[ . 1 . 2]" 1
527 2 59 LEU MD2 2 61 ILE MD 1.800 . 5.000 2.566 1.907 3.156 . 0 0 "[ . 1 . 2]" 1
528 2 59 LEU MD2 2 68 ILE MD 1.800 . 6.000 3.217 1.793 4.460 0.007 1 0 "[ . 1 . 2]" 1
529 1 61 ILE MG 1 64 ALA MB 1.800 . 5.000 4.169 3.802 4.971 . 0 0 "[ . 1 . 2]" 1
530 1 61 ILE HB 1 66 PHE QE 1.800 . 5.000 2.490 1.841 2.699 . 0 0 "[ . 1 . 2]" 1
531 1 61 ILE HB 1 66 PHE HZ 1.800 . 5.000 4.830 4.204 5.007 0.007 9 0 "[ . 1 . 2]" 1
532 2 61 ILE MG 2 64 ALA MB 1.800 . 5.000 4.095 3.699 4.514 . 0 0 "[ . 1 . 2]" 1
533 2 61 ILE HB 2 66 PHE QE 1.800 . 5.000 2.408 1.801 2.715 . 0 0 "[ . 1 . 2]" 1
534 2 61 ILE HB 2 66 PHE HZ 1.800 . 5.000 4.754 4.148 5.012 0.012 3 0 "[ . 1 . 2]" 1
535 1 72 ALA MB 1 76 ASP QB 1.800 . 5.000 3.333 2.233 4.454 . 0 0 "[ . 1 . 2]" 1
536 1 72 ALA MB 1 77 LEU MD1 1.800 . 5.000 3.510 2.320 4.565 . 0 0 "[ . 1 . 2]" 1
537 1 72 ALA MB 1 77 LEU MD2 1.800 . 5.000 3.230 2.321 4.945 . 0 0 "[ . 1 . 2]" 1
538 2 72 ALA MB 2 76 ASP QB 1.800 . 5.000 3.365 2.467 4.086 . 0 0 "[ . 1 . 2]" 1
539 2 72 ALA MB 2 77 LEU MD1 1.800 . 5.000 3.481 2.431 4.737 . 0 0 "[ . 1 . 2]" 1
540 2 72 ALA MB 2 77 LEU MD2 1.800 . 5.000 3.212 2.083 4.691 . 0 0 "[ . 1 . 2]" 1
541 1 74 ILE MD 1 77 LEU MD1 1.800 . 6.000 4.213 3.346 5.302 . 0 0 "[ . 1 . 2]" 1
542 1 74 ILE MD 1 78 LYS QE 1.800 . 6.000 3.996 2.552 5.408 . 0 0 "[ . 1 . 2]" 1
543 1 54 LYS QG 1 74 ILE MG 1.800 . 6.000 3.676 3.105 4.166 . 0 0 "[ . 1 . 2]" 1
544 1 54 LYS QD 1 74 ILE MG 1.800 . 6.000 4.836 1.817 5.530 . 0 0 "[ . 1 . 2]" 1
545 1 74 ILE MG 1 77 LEU MD1 1.800 . 6.000 4.797 4.130 6.052 0.052 4 0 "[ . 1 . 2]" 1
546 1 74 ILE MG 1 78 LYS QG 1.800 . 6.000 4.486 3.631 5.469 . 0 0 "[ . 1 . 2]" 1
547 1 74 ILE MG 1 78 LYS QE 1.800 . 6.000 4.034 2.199 5.782 . 0 0 "[ . 1 . 2]" 1
548 1 74 ILE QG 1 77 LEU MD1 1.800 . 6.000 3.077 2.031 5.410 . 0 0 "[ . 1 . 2]" 1
549 2 74 ILE MD 2 77 LEU MD1 1.800 . 6.000 4.030 2.241 5.438 . 0 0 "[ . 1 . 2]" 1
550 2 74 ILE MD 2 78 LYS QE 1.800 . 6.000 4.371 2.111 5.936 . 0 0 "[ . 1 . 2]" 1
551 2 54 LYS QG 2 74 ILE MG 1.800 . 6.000 3.909 2.592 5.126 . 0 0 "[ . 1 . 2]" 1
552 2 54 LYS QD 2 74 ILE MG 1.800 . 6.000 5.083 3.407 6.041 0.041 10 0 "[ . 1 . 2]" 1
553 2 74 ILE MG 2 77 LEU MD1 1.800 . 6.000 4.808 4.115 6.006 0.006 4 0 "[ . 1 . 2]" 1
554 2 74 ILE MG 2 78 LYS QG 1.800 . 6.000 4.285 2.517 5.545 . 0 0 "[ . 1 . 2]" 1
555 2 74 ILE MG 2 78 LYS QE 1.800 . 6.000 3.809 2.377 5.861 . 0 0 "[ . 1 . 2]" 1
556 2 74 ILE QG 2 77 LEU MD1 1.800 . 6.000 3.204 1.921 4.477 . 0 0 "[ . 1 . 2]" 1
557 1 7 PHE QD 1 18 ALA MB 1.800 . 6.000 4.544 4.125 4.882 . 0 0 "[ . 1 . 2]" 1
558 1 7 PHE QD 1 35 ILE MD 1.800 . 6.000 2.950 2.103 3.756 . 0 0 "[ . 1 . 2]" 1
559 1 7 PHE QD 1 59 LEU MD1 1.800 . 6.000 2.518 1.894 3.424 . 0 0 "[ . 1 . 2]" 1
560 1 7 PHE QD 1 59 LEU MD2 1.800 . 6.000 3.715 3.138 4.117 . 0 0 "[ . 1 . 2]" 1
561 2 7 PHE QD 2 18 ALA MB 1.800 . 6.000 4.312 3.830 5.011 . 0 0 "[ . 1 . 2]" 1
562 2 7 PHE QD 2 35 ILE MD 1.800 . 6.000 3.038 2.176 3.817 . 0 0 "[ . 1 . 2]" 1
563 2 7 PHE QD 2 59 LEU MD1 1.800 . 6.000 2.384 1.798 3.764 0.002 16 0 "[ . 1 . 2]" 1
564 2 7 PHE QD 2 59 LEU MD2 1.800 . 6.000 3.805 2.996 4.265 . 0 0 "[ . 1 . 2]" 1
565 1 7 PHE QE 1 18 ALA MB 1.800 . 6.000 2.796 2.314 3.186 . 0 0 "[ . 1 . 2]" 1
566 1 7 PHE QE 1 23 ALA MB 1.800 . 5.000 3.972 3.167 5.020 0.020 7 0 "[ . 1 . 2]" 1
567 1 7 PHE QE 1 35 ILE MD 1.800 . 6.000 4.072 3.623 4.534 . 0 0 "[ . 1 . 2]" 1
568 1 7 PHE QE 1 35 ILE MG 1.800 . 6.000 3.708 3.295 4.322 . 0 0 "[ . 1 . 2]" 1
569 1 7 PHE QE 1 59 LEU MD1 1.800 . 6.000 3.672 3.035 4.309 . 0 0 "[ . 1 . 2]" 1
570 1 7 PHE QE 1 59 LEU MD2 1.800 . 6.000 4.706 3.729 5.349 . 0 0 "[ . 1 . 2]" 1
571 2 7 PHE QE 2 18 ALA MB 1.800 . 6.000 2.600 2.247 3.139 . 0 0 "[ . 1 . 2]" 1
572 2 7 PHE QE 2 23 ALA MB 1.800 . 5.000 4.595 4.003 5.020 0.020 9 0 "[ . 1 . 2]" 1
573 2 7 PHE QE 2 35 ILE MD 1.800 . 6.000 4.182 3.459 4.900 . 0 0 "[ . 1 . 2]" 1
574 2 7 PHE QE 2 35 ILE MG 1.800 . 6.000 3.607 3.265 4.256 . 0 0 "[ . 1 . 2]" 1
575 2 7 PHE QE 2 59 LEU MD1 1.800 . 6.000 3.927 3.334 4.927 . 0 0 "[ . 1 . 2]" 1
576 2 7 PHE QE 2 59 LEU MD2 1.800 . 6.000 4.889 2.990 5.642 . 0 0 "[ . 1 . 2]" 1
577 1 7 PHE HZ 1 23 ALA MB 1.800 . 6.000 4.715 3.903 5.861 . 0 0 "[ . 1 . 2]" 1
578 1 7 PHE HZ 1 35 ILE MG 1.800 . 6.000 5.619 5.188 6.017 0.017 4 0 "[ . 1 . 2]" 1
579 2 7 PHE HZ 2 23 ALA MB 1.800 . 6.000 5.449 4.675 5.991 . 0 0 "[ . 1 . 2]" 1
580 2 7 PHE HZ 2 35 ILE MG 1.800 . 6.000 5.511 4.979 6.011 0.011 14 0 "[ . 1 . 2]" 1
581 1 8 TYR QD 1 36 VAL HB 1.800 . 5.000 2.811 2.211 3.579 . 0 0 "[ . 1 . 2]" 1
582 1 8 TYR QD 1 36 VAL MG1 1.800 . 6.000 2.874 2.569 3.554 . 0 0 "[ . 1 . 2]" 1
583 1 8 TYR QD 1 38 LEU MD1 1.800 . 5.000 2.785 1.949 4.690 . 0 0 "[ . 1 . 2]" 1
584 1 8 TYR QD 1 38 LEU MD2 1.800 . 5.000 2.165 1.788 3.972 0.012 5 0 "[ . 1 . 2]" 1
585 1 8 TYR QD 1 48 ALA MB 1.800 . 5.000 3.460 2.705 4.507 . 0 0 "[ . 1 . 2]" 1
586 1 8 TYR QD 1 56 VAL MG1 1.800 . 6.000 4.478 3.467 5.163 . 0 0 "[ . 1 . 2]" 1
587 1 8 TYR QD 1 58 ALA MB 1.800 . 5.000 3.358 2.604 4.383 . 0 0 "[ . 1 . 2]" 1
588 1 8 TYR QD 1 60 VAL MG2 1.800 . 6.000 2.363 1.992 2.821 . 0 0 "[ . 1 . 2]" 1
589 2 8 TYR QD 2 36 VAL HB 1.800 . 5.000 2.859 2.445 3.478 . 0 0 "[ . 1 . 2]" 1
590 2 8 TYR QD 2 36 VAL MG1 1.800 . 6.000 2.941 2.642 3.431 . 0 0 "[ . 1 . 2]" 1
591 2 8 TYR QD 2 38 LEU MD1 1.800 . 5.000 2.811 2.194 4.312 . 0 0 "[ . 1 . 2]" 1
592 2 8 TYR QD 2 38 LEU MD2 1.800 . 5.000 2.326 1.790 3.118 0.010 14 0 "[ . 1 . 2]" 1
593 2 8 TYR QD 2 48 ALA MB 1.800 . 5.000 3.624 2.403 4.323 . 0 0 "[ . 1 . 2]" 1
594 2 8 TYR QD 2 56 VAL MG1 1.800 . 6.000 4.223 3.593 4.856 . 0 0 "[ . 1 . 2]" 1
595 2 8 TYR QD 2 58 ALA MB 1.800 . 5.000 3.960 3.092 4.907 . 0 0 "[ . 1 . 2]" 1
596 2 8 TYR QD 2 60 VAL MG2 1.800 . 6.000 2.347 1.906 2.919 . 0 0 "[ . 1 . 2]" 1
597 1 6 ILE MG 1 8 TYR QE 1.800 . 5.000 2.674 2.191 3.481 . 0 0 "[ . 1 . 2]" 1
598 1 8 TYR QE 1 36 VAL MG1 1.800 . 6.000 2.395 1.962 2.815 . 0 0 "[ . 1 . 2]" 1
599 1 8 TYR QE 1 36 VAL MG2 1.800 . 6.000 3.262 2.738 4.058 . 0 0 "[ . 1 . 2]" 1
600 1 8 TYR QE 1 38 LEU MD2 1.800 . 5.000 2.922 2.303 4.432 . 0 0 "[ . 1 . 2]" 1
601 1 8 TYR QE 1 48 ALA MB 1.800 . 5.000 3.471 2.805 4.602 . 0 0 "[ . 1 . 2]" 1
602 1 8 TYR QE 1 53 VAL MG2 1.800 . 6.000 3.225 2.631 3.742 . 0 0 "[ . 1 . 2]" 1
603 1 8 TYR QE 1 60 VAL MG1 1.800 . 6.000 3.883 3.120 5.701 . 0 0 "[ . 1 . 2]" 1
604 1 8 TYR QE 1 60 VAL MG2 1.800 . 5.000 2.494 1.903 4.449 . 0 0 "[ . 1 . 2]" 1
605 2 6 ILE MG 2 8 TYR QE 1.800 . 5.000 2.752 2.192 3.640 . 0 0 "[ . 1 . 2]" 1
606 2 8 TYR QE 2 36 VAL MG1 1.800 . 6.000 2.471 2.072 3.380 . 0 0 "[ . 1 . 2]" 1
607 2 8 TYR QE 2 36 VAL MG2 1.800 . 6.000 3.290 2.806 4.074 . 0 0 "[ . 1 . 2]" 1
608 2 8 TYR QE 2 38 LEU MD2 1.800 . 5.000 2.931 2.231 4.162 . 0 0 "[ . 1 . 2]" 1
609 2 8 TYR QE 2 48 ALA MB 1.800 . 5.000 3.433 2.682 4.217 . 0 0 "[ . 1 . 2]" 1
610 2 8 TYR QE 2 53 VAL MG2 1.800 . 6.000 2.885 1.893 4.053 . 0 0 "[ . 1 . 2]" 1
611 2 8 TYR QE 2 60 VAL MG1 1.800 . 6.000 3.740 3.012 4.671 . 0 0 "[ . 1 . 2]" 1
612 2 8 TYR QE 2 60 VAL MG2 1.800 . 5.000 2.342 1.903 3.675 . 0 0 "[ . 1 . 2]" 1
613 1 9 HIS QB 1 15 CYS QB 1.800 . 5.000 2.071 1.775 2.824 0.025 5 0 "[ . 1 . 2]" 1
614 2 9 HIS QB 2 15 CYS QB 1.800 . 5.000 2.171 1.785 2.609 0.015 7 0 "[ . 1 . 2]" 1
615 1 8 TYR HA 1 9 HIS HD2 1.800 . 5.000 3.922 3.571 4.357 . 0 0 "[ . 1 . 2]" 1
616 1 9 HIS HD2 1 35 ILE MG 1.800 . 5.000 2.386 2.093 2.882 . 0 0 "[ . 1 . 2]" 1
617 1 9 HIS HD2 1 36 VAL H 1.800 . 5.000 3.635 2.915 4.686 . 0 0 "[ . 1 . 2]" 1
618 1 9 HIS HE1 1 37 HIS HD2 1.800 . 5.000 2.554 1.995 3.930 . 0 0 "[ . 1 . 2]" 1
619 2 8 TYR HA 2 9 HIS HD2 1.800 . 5.000 3.794 3.413 4.445 . 0 0 "[ . 1 . 2]" 1
620 2 9 HIS HD2 2 35 ILE MG 1.800 . 5.000 2.330 2.065 2.621 . 0 0 "[ . 1 . 2]" 1
621 2 9 HIS HD2 2 36 VAL H 1.800 . 5.000 3.546 2.803 4.439 . 0 0 "[ . 1 . 2]" 1
622 2 9 HIS HE1 2 37 HIS HD2 1.800 . 5.000 2.669 2.019 5.011 0.011 20 0 "[ . 1 . 2]" 1
623 1 5 ALA MB 1 31 TYR QD 1.800 . 5.000 3.521 2.084 4.573 . 0 0 "[ . 1 . 2]" 1
624 1 31 TYR QD 1 33 VAL MG2 1.800 . 6.000 4.773 4.035 5.590 . 0 0 "[ . 1 . 2]" 1
625 1 31 TYR QD 1 61 ILE MG 1.800 . 6.000 3.662 2.569 4.704 . 0 0 "[ . 1 . 2]" 1
626 2 5 ALA MB 2 31 TYR QD 1.800 . 5.000 3.885 2.137 4.632 . 0 0 "[ . 1 . 2]" 1
627 2 31 TYR QD 2 33 VAL MG2 1.800 . 6.000 4.766 4.205 5.307 . 0 0 "[ . 1 . 2]" 1
628 2 31 TYR QD 2 61 ILE MG 1.800 . 6.000 3.926 2.804 4.673 . 0 0 "[ . 1 . 2]" 1
629 1 5 ALA MB 1 31 TYR QE 1.800 . 6.000 4.999 3.902 5.971 . 0 0 "[ . 1 . 2]" 1
630 1 31 TYR QE 1 61 ILE MG 1.800 . 5.000 3.422 1.801 4.856 . 0 0 "[ . 1 . 2]" 1
631 1 31 TYR QE 1 61 ILE MD 1.800 . 6.000 4.872 3.066 6.015 0.015 19 0 "[ . 1 . 2]" 1
632 2 5 ALA MB 2 31 TYR QE 1.800 . 6.000 5.286 3.995 5.941 . 0 0 "[ . 1 . 2]" 1
633 2 31 TYR QE 2 61 ILE MG 1.800 . 5.000 3.892 2.059 4.854 . 0 0 "[ . 1 . 2]" 1
634 2 31 TYR QE 2 61 ILE MD 1.800 . 6.000 5.125 4.310 5.801 . 0 0 "[ . 1 . 2]" 1
635 1 37 HIS HE1 1 39 GLY H 1.800 . 5.000 3.292 2.962 3.894 . 0 0 "[ . 1 . 2]" 1
636 1 37 HIS HE1 1 39 GLY QA 1.800 . 5.000 2.402 2.116 2.794 . 0 0 "[ . 1 . 2]" 1
637 1 10 ALA HA 1 37 HIS HE1 1.800 . 5.000 4.051 2.803 4.706 . 0 0 "[ . 1 . 2]" 1
638 1 10 ALA MB 1 37 HIS HE1 1.800 . 5.000 4.514 3.207 5.004 0.004 1 0 "[ . 1 . 2]" 1
639 2 37 HIS HE1 2 39 GLY H 1.800 . 5.000 3.298 2.822 4.428 . 0 0 "[ . 1 . 2]" 1
640 2 37 HIS HE1 2 39 GLY QA 1.800 . 5.000 2.600 2.119 3.659 . 0 0 "[ . 1 . 2]" 1
641 2 10 ALA HA 2 37 HIS HE1 1.800 . 5.000 3.767 2.805 4.576 . 0 0 "[ . 1 . 2]" 1
642 2 10 ALA MB 2 37 HIS HE1 1.800 . 5.000 4.382 3.669 5.020 0.020 8 0 "[ . 1 . 2]" 1
643 1 64 ALA MB 1 66 PHE QE 1.800 . 6.000 2.361 1.815 2.939 . 0 0 "[ . 1 . 2]" 1
644 1 64 ALA MB 1 66 PHE HZ 1.800 . 6.000 2.988 2.704 3.205 . 0 0 "[ . 1 . 2]" 1
645 2 64 ALA MB 2 66 PHE QE 1.800 . 6.000 2.382 2.095 2.932 . 0 0 "[ . 1 . 2]" 1
646 2 64 ALA MB 2 66 PHE HZ 1.800 . 6.000 2.863 2.484 3.133 . 0 0 "[ . 1 . 2]" 1
647 1 54 LYS H 1 67 HIS HD2 1.800 . 5.000 3.574 3.332 3.880 . 0 0 "[ . 1 . 2]" 1
648 1 55 SER H 1 67 HIS HD2 1.800 . 5.000 2.338 2.029 2.722 . 0 0 "[ . 1 . 2]" 1
649 1 53 VAL MG1 1 67 HIS HD2 1.800 . 5.000 3.299 2.917 3.617 . 0 0 "[ . 1 . 2]" 1
650 1 58 ALA MB 1 67 HIS HD2 1.800 . 5.000 2.244 1.796 2.769 0.004 12 0 "[ . 1 . 2]" 1
651 2 54 LYS H 2 67 HIS HD2 1.800 . 5.000 4.123 3.524 4.816 . 0 0 "[ . 1 . 2]" 1
652 2 55 SER H 2 67 HIS HD2 1.800 . 5.000 2.791 2.148 3.354 . 0 0 "[ . 1 . 2]" 1
653 2 53 VAL MG1 2 67 HIS HD2 1.800 . 5.000 3.617 2.757 4.773 . 0 0 "[ . 1 . 2]" 1
654 2 58 ALA MB 2 67 HIS HD2 1.800 . 5.000 2.252 1.812 4.571 . 0 0 "[ . 1 . 2]" 1
655 1 53 VAL HA 1 67 HIS HE1 1.800 . 5.000 3.892 3.302 4.495 . 0 0 "[ . 1 . 2]" 1
656 1 54 LYS H 1 67 HIS HE1 1.800 . 5.000 2.995 2.748 3.274 . 0 0 "[ . 1 . 2]" 1
657 1 54 LYS QG 1 67 HIS HE1 1.800 . 5.000 3.483 2.396 4.686 . 0 0 "[ . 1 . 2]" 1
658 1 55 SER H 1 67 HIS HE1 1.800 . 5.000 4.146 3.923 4.257 . 0 0 "[ . 1 . 2]" 1
659 1 65 ALA MB 1 67 HIS HE1 1.800 . 6.000 3.563 2.978 4.535 . 0 0 "[ . 1 . 2]" 1
660 2 53 VAL HA 2 67 HIS HE1 1.800 . 5.000 4.065 2.243 5.013 0.013 18 0 "[ . 1 . 2]" 1
661 2 54 LYS H 2 67 HIS HE1 1.800 . 5.000 3.027 2.682 3.856 . 0 0 "[ . 1 . 2]" 1
662 2 54 LYS QG 2 67 HIS HE1 1.800 . 5.000 3.959 2.847 5.020 0.020 11 0 "[ . 1 . 2]" 1
663 2 55 SER H 2 67 HIS HE1 1.800 . 5.000 3.976 3.243 4.185 . 0 0 "[ . 1 . 2]" 1
664 2 65 ALA MB 2 67 HIS HE1 1.800 . 6.000 3.755 3.009 5.094 . 0 0 "[ . 1 . 2]" 1
665 1 8 TYR H 1 59 LEU HA 1.800 . 6.000 3.441 3.010 3.727 . 0 0 "[ . 1 . 2]" 1
666 1 9 HIS H 1 37 HIS HA 1.800 . 5.000 3.153 2.872 3.420 . 0 0 "[ . 1 . 2]" 1
667 1 4 LYS HA 1 32 THR H 1.800 . 5.000 3.143 2.122 4.448 . 0 0 "[ . 1 . 2]" 1
668 1 6 ILE HA 1 34 GLU H 1.800 . 5.000 2.791 2.455 3.199 . 0 0 "[ . 1 . 2]" 1
669 1 8 TYR HA 1 36 VAL H 1.800 . 5.000 3.094 2.801 3.388 . 0 0 "[ . 1 . 2]" 1
670 1 10 ALA HA 1 38 LEU H 1.800 . 5.000 2.924 2.298 3.709 . 0 0 "[ . 1 . 2]" 1
671 1 10 ALA HA 1 39 GLY H 1.800 . 5.000 2.639 1.992 3.381 . 0 0 "[ . 1 . 2]" 1
672 1 9 HIS HA 1 58 ALA H 1.800 . 5.000 3.840 3.622 4.060 . 0 0 "[ . 1 . 2]" 1
673 1 7 PHE HA 1 60 VAL H 1.800 . 5.000 3.287 2.926 3.579 . 0 0 "[ . 1 . 2]" 1
674 1 60 VAL HA 1 66 PHE H 1.800 . 5.000 2.939 2.725 3.155 . 0 0 "[ . 1 . 2]" 1
675 1 59 LEU H 1 67 HIS HA 1.800 . 5.000 3.142 2.803 3.378 . 0 0 "[ . 1 . 2]" 1
676 1 58 ALA HA 1 68 ILE H 1.800 . 5.000 2.813 2.155 3.289 . 0 0 "[ . 1 . 2]" 1
677 1 55 SER HA 1 74 ILE H 1.800 . 5.000 2.559 2.157 3.123 . 0 0 "[ . 1 . 2]" 1
678 2 8 TYR H 2 59 LEU HA 1.800 . 6.000 3.250 2.641 3.962 . 0 0 "[ . 1 . 2]" 1
679 2 9 HIS H 2 37 HIS HA 1.800 . 5.000 3.122 2.726 3.460 . 0 0 "[ . 1 . 2]" 1
680 2 4 LYS HA 2 32 THR H 1.800 . 5.000 3.209 2.325 4.399 . 0 0 "[ . 1 . 2]" 1
681 2 6 ILE HA 2 34 GLU H 1.800 . 5.000 2.770 2.533 3.085 . 0 0 "[ . 1 . 2]" 1
682 2 8 TYR HA 2 36 VAL H 1.800 . 5.000 3.157 2.852 3.603 . 0 0 "[ . 1 . 2]" 1
683 2 10 ALA HA 2 38 LEU H 1.800 . 5.000 3.039 2.441 3.494 . 0 0 "[ . 1 . 2]" 1
684 2 10 ALA HA 2 39 GLY H 1.800 . 5.000 2.766 2.205 4.923 . 0 0 "[ . 1 . 2]" 1
685 2 9 HIS HA 2 58 ALA H 1.800 . 5.000 4.027 3.555 4.344 . 0 0 "[ . 1 . 2]" 1
686 2 7 PHE HA 2 60 VAL H 1.800 . 5.000 3.256 2.978 3.533 . 0 0 "[ . 1 . 2]" 1
687 2 60 VAL HA 2 66 PHE H 1.800 . 5.000 2.779 2.474 3.146 . 0 0 "[ . 1 . 2]" 1
688 2 59 LEU H 2 67 HIS HA 1.800 . 5.000 3.204 2.737 3.795 . 0 0 "[ . 1 . 2]" 1
689 2 58 ALA HA 2 68 ILE H 1.800 . 5.000 1.914 1.766 2.112 0.034 7 0 "[ . 1 . 2]" 1
690 2 55 SER HA 2 74 ILE H 1.800 . 5.000 2.445 1.802 3.370 . 0 0 "[ . 1 . 2]" 1
691 1 6 ILE H 1 60 VAL H 1.800 . 5.000 3.290 3.050 3.672 . 0 0 "[ . 1 . 2]" 1
692 1 7 PHE H 1 34 GLU H 1.800 . 5.000 3.572 3.235 3.925 . 0 0 "[ . 1 . 2]" 1
693 1 8 TYR H 1 58 ALA H 1.800 . 5.000 3.179 3.055 3.349 . 0 0 "[ . 1 . 2]" 1
694 1 12 CYS H 1 15 CYS H 1.800 . 6.000 3.925 3.253 4.855 . 0 0 "[ . 1 . 2]" 1
695 1 56 VAL H 1 72 ALA H 1.800 . 4.000 2.964 2.782 3.286 . 0 0 "[ . 1 . 2]" 1
696 1 56 VAL H 1 74 ILE H 1.800 . 5.000 4.613 4.106 5.002 0.002 4 0 "[ . 1 . 2]" 1
697 1 59 LEU H 1 68 ILE H 1.800 . 6.000 3.865 3.398 4.459 . 0 0 "[ . 1 . 2]" 1
698 1 61 ILE H 1 64 ALA H 1.800 . 5.000 3.604 3.279 4.027 . 0 0 "[ . 1 . 2]" 1
699 2 6 ILE H 2 60 VAL H 1.800 . 5.000 3.296 2.731 3.473 . 0 0 "[ . 1 . 2]" 1
700 2 7 PHE H 2 34 GLU H 1.800 . 5.000 3.578 3.280 3.881 . 0 0 "[ . 1 . 2]" 1
701 2 8 TYR H 2 58 ALA H 1.800 . 5.000 3.262 3.011 3.553 . 0 0 "[ . 1 . 2]" 1
702 2 12 CYS H 2 15 CYS H 1.800 . 6.000 3.849 3.345 4.524 . 0 0 "[ . 1 . 2]" 1
703 2 56 VAL H 2 72 ALA H 1.800 . 4.000 2.939 2.614 3.375 . 0 0 "[ . 1 . 2]" 1
704 2 56 VAL H 2 74 ILE H 1.800 . 5.000 4.006 3.189 4.829 . 0 0 "[ . 1 . 2]" 1
705 2 59 LEU H 2 68 ILE H 1.800 . 6.000 3.681 3.289 4.230 . 0 0 "[ . 1 . 2]" 1
706 2 61 ILE H 2 64 ALA H 1.800 . 5.000 3.611 3.232 4.080 . 0 0 "[ . 1 . 2]" 1
707 1 5 ALA HA 1 61 ILE HA 1.800 . 5.000 2.501 1.921 3.019 . 0 0 "[ . 1 . 2]" 1
708 1 7 PHE HA 1 59 LEU HA 1.800 . 5.000 2.354 1.969 2.674 . 0 0 "[ . 1 . 2]" 1
709 1 9 HIS HA 1 57 PRO HA 1.800 . 5.000 2.612 2.281 2.975 . 0 0 "[ . 1 . 2]" 1
710 1 56 VAL HA 1 57 PRO HA 1.800 . 5.000 2.149 1.870 2.383 . 0 0 "[ . 1 . 2]" 1
711 1 58 ALA HA 1 67 HIS HA 1.800 . 5.000 1.926 1.793 2.307 0.007 11 0 "[ . 1 . 2]" 1
712 1 60 VAL HA 1 65 ALA HA 1.800 . 5.000 1.933 1.798 2.228 0.002 19 0 "[ . 1 . 2]" 1
713 2 5 ALA HA 2 61 ILE HA 1.800 . 5.000 2.428 2.018 2.886 . 0 0 "[ . 1 . 2]" 1
714 2 7 PHE HA 2 59 LEU HA 1.800 . 5.000 2.303 2.019 2.705 . 0 0 "[ . 1 . 2]" 1
715 2 9 HIS HA 2 57 PRO HA 1.800 . 5.000 2.937 2.037 3.491 . 0 0 "[ . 1 . 2]" 1
716 2 56 VAL HA 2 57 PRO HA 1.800 . 5.000 4.222 4.139 4.337 . 0 0 "[ . 1 . 2]" 1
717 2 58 ALA HA 2 67 HIS HA 1.800 . 5.000 2.278 1.867 3.030 . 0 0 "[ . 1 . 2]" 1
718 2 60 VAL HA 2 65 ALA HA 1.800 . 5.000 1.971 1.781 2.180 0.019 18 0 "[ . 1 . 2]" 1
719 1 9 HIS H 1 56 VAL MG1 1.800 . 5.000 4.084 3.588 4.599 . 0 0 "[ . 1 . 2]" 1
720 1 10 ALA H 1 15 CYS QB 1.800 . 5.000 3.709 3.078 4.530 . 0 0 "[ . 1 . 2]" 1
721 1 10 ALA H 1 56 VAL HB 1.800 . 5.000 3.205 2.792 3.825 . 0 0 "[ . 1 . 2]" 1
722 1 10 ALA H 1 56 VAL MG1 1.800 . 5.000 3.806 3.107 4.432 . 0 0 "[ . 1 . 2]" 1
723 1 10 ALA H 1 56 VAL MG2 1.800 . 5.000 3.212 2.055 4.105 . 0 0 "[ . 1 . 2]" 1
724 1 11 GLY H 1 16 VAL MG2 1.800 . 6.000 5.259 4.349 6.025 0.025 14 0 "[ . 1 . 2]" 1
725 1 12 CYS QB 1 15 CYS H 1.800 . 6.000 3.108 2.520 5.112 . 0 0 "[ . 1 . 2]" 1
726 1 7 PHE HZ 1 19 GLU H 1.800 . 5.000 3.523 2.936 4.613 . 0 0 "[ . 1 . 2]" 1
727 1 19 GLU H 1 23 ALA MB 1.800 . 6.000 4.443 4.212 5.501 . 0 0 "[ . 1 . 2]" 1
728 1 23 ALA H 1 33 VAL MG1 1.800 . 6.000 5.451 4.616 6.007 0.007 13 0 "[ . 1 . 2]" 1
729 1 23 ALA H 1 35 ILE MD 1.800 . 6.000 5.793 5.151 6.025 0.025 11 0 "[ . 1 . 2]" 1
730 1 10 ALA MB 1 39 GLY H 1.800 . 5.500 3.714 2.934 4.335 . 0 0 "[ . 1 . 2]" 1
731 1 38 LEU MD2 1 45 ILE H 1.800 . 5.000 3.840 3.338 5.026 0.026 6 0 "[ . 1 . 2]" 1
732 1 38 LEU MD2 1 48 ALA H 1.800 . 5.000 3.904 3.322 4.667 . 0 0 "[ . 1 . 2]" 1
733 1 8 TYR QB 1 58 ALA H 1.800 . 5.000 3.055 2.764 3.368 . 0 0 "[ . 1 . 2]" 1
734 1 4 LYS QG 1 63 GLY H 1.800 . 6.000 5.831 4.974 6.043 0.043 15 0 "[ . 1 . 2]" 1
735 1 60 VAL MG1 1 64 ALA H 1.800 . 5.000 3.360 3.074 3.576 . 0 0 "[ . 1 . 2]" 1
736 1 59 LEU QB 1 66 PHE H 1.800 . 6.000 3.586 3.243 3.970 . 0 0 "[ . 1 . 2]" 1
737 1 14 VAL MG1 1 70 PHE H 1.800 . 5.500 4.433 3.213 5.498 . 0 0 "[ . 1 . 2]" 1
738 1 14 VAL MG1 1 71 GLY H 1.800 . 5.500 3.991 3.076 5.033 . 0 0 "[ . 1 . 2]" 1
739 1 57 PRO QD 1 71 GLY H 1.800 . 5.000 3.119 2.887 3.591 . 0 0 "[ . 1 . 2]" 1
740 1 56 VAL MG2 1 72 ALA H 1.800 . 5.000 2.591 2.292 2.934 . 0 0 "[ . 1 . 2]" 1
741 1 57 PRO QD 1 72 ALA H 1.800 . 6.000 4.140 3.930 4.336 . 0 0 "[ . 1 . 2]" 1
742 1 73 GLY H 1 76 ASP QB 1.800 . 5.500 3.003 2.051 3.757 . 0 0 "[ . 1 . 2]" 1
743 2 10 ALA H 2 56 VAL HB 1.800 . 5.000 3.690 2.848 4.814 . 0 0 "[ . 1 . 2]" 1
744 2 10 ALA H 2 56 VAL MG2 1.800 . 5.000 4.167 3.216 5.051 0.051 17 0 "[ . 1 . 2]" 1
745 2 11 GLY H 2 16 VAL MG2 1.800 . 6.000 5.660 5.032 6.029 0.029 13 0 "[ . 1 . 2]" 1
746 2 12 CYS H 2 15 CYS QB 1.800 . 6.000 3.613 2.469 5.132 . 0 0 "[ . 1 . 2]" 1
747 2 7 PHE HZ 2 19 GLU H 1.800 . 5.000 3.844 3.025 4.697 . 0 0 "[ . 1 . 2]" 1
748 2 19 GLU H 2 23 ALA MB 1.800 . 6.000 4.591 4.129 5.650 . 0 0 "[ . 1 . 2]" 1
749 2 23 ALA H 2 33 VAL MG1 1.800 . 6.000 5.411 4.805 5.976 . 0 0 "[ . 1 . 2]" 1
750 2 23 ALA H 2 35 ILE MD 1.800 . 6.000 5.697 4.779 6.022 0.022 2 0 "[ . 1 . 2]" 1
751 2 10 ALA MB 2 39 GLY H 1.800 . 5.500 3.675 2.468 4.908 . 0 0 "[ . 1 . 2]" 1
752 2 38 LEU MD2 2 45 ILE H 1.800 . 5.000 3.692 2.716 5.015 0.015 6 0 "[ . 1 . 2]" 1
753 2 38 LEU MD2 2 48 ALA H 1.800 . 5.000 4.137 3.657 5.018 0.018 11 0 "[ . 1 . 2]" 1
754 2 8 TYR QB 2 58 ALA H 1.800 . 5.000 3.341 2.754 3.756 . 0 0 "[ . 1 . 2]" 1
755 2 4 LYS QG 2 63 GLY H 1.800 . 6.000 5.883 5.333 6.087 0.087 13 0 "[ . 1 . 2]" 1
756 2 60 VAL MG1 2 64 ALA H 1.800 . 5.000 3.205 2.633 3.481 . 0 0 "[ . 1 . 2]" 1
757 2 59 LEU QB 2 66 PHE H 1.800 . 6.000 4.080 3.676 4.894 . 0 0 "[ . 1 . 2]" 1
758 2 14 VAL MG1 2 70 PHE H 1.800 . 5.500 4.513 2.921 5.456 . 0 0 "[ . 1 . 2]" 1
759 2 14 VAL MG1 2 71 GLY H 1.800 . 5.500 4.202 3.402 4.844 . 0 0 "[ . 1 . 2]" 1
760 2 57 PRO QD 2 71 GLY H 1.800 . 5.000 4.964 4.621 5.072 0.072 4 0 "[ . 1 . 2]" 1
761 2 56 VAL MG2 2 72 ALA H 1.800 . 5.000 2.267 1.916 3.436 . 0 0 "[ . 1 . 2]" 1
762 2 57 PRO QD 2 72 ALA H 1.800 . 6.000 3.182 2.732 3.526 . 0 0 "[ . 1 . 2]" 1
763 2 73 GLY H 2 76 ASP QB 1.800 . 5.500 3.200 2.695 3.879 . 0 0 "[ . 1 . 2]" 1
764 1 4 LYS HA 1 32 THR MG 1.800 . 5.000 3.873 2.065 4.678 . 0 0 "[ . 1 . 2]" 1
765 1 5 ALA HA 1 61 ILE MG 1.800 . 5.000 4.011 3.315 4.579 . 0 0 "[ . 1 . 2]" 1
766 1 6 ILE HA 1 33 VAL MG1 1.800 . 5.000 4.381 3.771 4.956 . 0 0 "[ . 1 . 2]" 1
767 1 8 TYR HA 1 36 VAL HB 1.800 . 5.000 2.782 2.279 3.267 . 0 0 "[ . 1 . 2]" 1
768 1 8 TYR HA 1 36 VAL MG1 1.800 . 6.000 3.915 3.527 4.206 . 0 0 "[ . 1 . 2]" 1
769 1 8 TYR HA 1 36 VAL MG2 1.800 . 6.000 4.130 3.767 4.532 . 0 0 "[ . 1 . 2]" 1
770 1 9 HIS HA 1 56 VAL MG2 1.800 . 5.000 3.515 2.697 4.328 . 0 0 "[ . 1 . 2]" 1
771 1 19 GLU HA 1 35 ILE MD 1.800 . 5.000 4.148 3.290 4.558 . 0 0 "[ . 1 . 2]" 1
772 1 23 ALA HA 1 33 VAL MG1 1.800 . 5.000 3.629 3.013 4.222 . 0 0 "[ . 1 . 2]" 1
773 1 2 ALA MB 1 29 SER HA 1.800 . 5.000 4.558 3.273 5.031 0.031 15 0 "[ . 1 . 2]" 1
774 1 2 ALA MB 1 31 TYR HA 1.800 . 5.000 3.070 1.778 4.239 0.022 18 0 "[ . 1 . 2]" 1
775 1 26 ILE MG 1 31 TYR HA 1.800 . 6.000 4.535 4.310 4.834 . 0 0 "[ . 1 . 2]" 1
776 1 5 ALA MB 1 33 VAL HA 1.800 . 5.000 2.474 1.927 3.163 . 0 0 "[ . 1 . 2]" 1
777 1 38 LEU MD1 1 45 ILE HA 1.800 . 5.000 3.188 1.887 3.842 . 0 0 "[ . 1 . 2]" 1
778 1 38 LEU MD2 1 45 ILE HA 1.800 . 5.000 2.713 1.875 3.465 . 0 0 "[ . 1 . 2]" 1
779 1 45 ILE HA 1 74 ILE MD 1.800 . 5.000 3.276 2.073 4.265 . 0 0 "[ . 1 . 2]" 1
780 1 48 ALA HA 1 53 VAL MG2 1.800 . 5.000 2.797 2.477 3.292 . 0 0 "[ . 1 . 2]" 1
781 1 49 GLU HA 1 74 ILE MD 1.800 . 5.000 3.201 2.175 4.523 . 0 0 "[ . 1 . 2]" 1
782 1 53 VAL HA 1 58 ALA MB 1.800 . 5.000 3.386 2.822 3.989 . 0 0 "[ . 1 . 2]" 1
783 1 53 VAL HA 1 65 ALA MB 1.800 . 5.000 3.141 2.755 3.583 . 0 0 "[ . 1 . 2]" 1
784 1 54 LYS HA 1 74 ILE MG 1.800 . 5.000 2.221 1.925 2.707 . 0 0 "[ . 1 . 2]" 1
785 1 5 ALA MB 1 61 ILE HA 1.800 . 5.000 2.919 2.354 3.520 . 0 0 "[ . 1 . 2]" 1
786 1 60 VAL MG1 1 63 GLY QA 1.800 . 5.000 2.602 2.386 3.021 . 0 0 "[ . 1 . 2]" 1
787 1 58 ALA MB 1 67 HIS HA 1.800 . 5.000 2.895 2.404 3.488 . 0 0 "[ . 1 . 2]" 1
788 1 14 VAL MG1 1 71 GLY QA 1.800 . 5.000 3.120 2.133 4.299 . 0 0 "[ . 1 . 2]" 1
789 1 14 VAL MG2 1 71 GLY QA 1.800 . 5.000 2.847 2.130 3.966 . 0 0 "[ . 1 . 2]" 1
790 1 45 ILE MD 1 78 LYS HA 1.800 . 5.000 4.002 2.846 5.013 0.013 13 0 "[ . 1 . 2]" 1
791 2 4 LYS HA 2 32 THR MG 1.800 . 5.000 3.682 2.227 4.305 . 0 0 "[ . 1 . 2]" 1
792 2 5 ALA HA 2 61 ILE MG 1.800 . 5.000 3.896 3.438 4.522 . 0 0 "[ . 1 . 2]" 1
793 2 6 ILE HA 2 33 VAL MG1 1.800 . 5.000 4.269 3.649 4.581 . 0 0 "[ . 1 . 2]" 1
794 2 8 TYR HA 2 36 VAL HB 1.800 . 5.000 2.945 2.450 3.414 . 0 0 "[ . 1 . 2]" 1
795 2 8 TYR HA 2 36 VAL MG1 1.800 . 6.000 4.010 3.559 4.403 . 0 0 "[ . 1 . 2]" 1
796 2 8 TYR HA 2 36 VAL MG2 1.800 . 6.000 4.273 3.819 4.657 . 0 0 "[ . 1 . 2]" 1
797 2 9 HIS HA 2 56 VAL MG2 1.800 . 5.000 4.164 3.482 5.031 0.031 17 0 "[ . 1 . 2]" 1
798 2 19 GLU HA 2 35 ILE MD 1.800 . 5.000 4.086 3.188 4.638 . 0 0 "[ . 1 . 2]" 1
799 2 23 ALA HA 2 33 VAL MG1 1.800 . 5.000 3.565 2.889 4.003 . 0 0 "[ . 1 . 2]" 1
800 2 2 ALA MB 2 29 SER HA 1.800 . 5.000 4.706 3.560 5.027 0.027 13 0 "[ . 1 . 2]" 1
801 2 2 ALA MB 2 31 TYR HA 1.800 . 5.000 2.773 1.777 4.387 0.023 20 0 "[ . 1 . 2]" 1
802 2 26 ILE MG 2 31 TYR HA 1.800 . 6.000 4.660 4.384 5.058 . 0 0 "[ . 1 . 2]" 1
803 2 5 ALA MB 2 33 VAL HA 1.800 . 5.000 2.421 1.867 2.860 . 0 0 "[ . 1 . 2]" 1
804 2 38 LEU MD1 2 45 ILE HA 1.800 . 5.000 2.892 2.109 4.210 . 0 0 "[ . 1 . 2]" 1
805 2 38 LEU MD2 2 45 ILE HA 1.800 . 5.000 2.752 2.278 3.297 . 0 0 "[ . 1 . 2]" 1
806 2 45 ILE HA 2 74 ILE MD 1.800 . 5.000 3.236 2.321 5.013 0.013 10 0 "[ . 1 . 2]" 1
807 2 48 ALA HA 2 53 VAL MG2 1.800 . 5.000 2.862 2.567 3.129 . 0 0 "[ . 1 . 2]" 1
808 2 49 GLU HA 2 74 ILE MD 1.800 . 5.000 3.406 2.645 5.003 0.003 15 0 "[ . 1 . 2]" 1
809 2 53 VAL HA 2 58 ALA MB 1.800 . 5.000 4.366 3.878 4.955 . 0 0 "[ . 1 . 2]" 1
810 2 53 VAL HA 2 65 ALA MB 1.800 . 5.000 2.930 2.334 3.754 . 0 0 "[ . 1 . 2]" 1
811 2 54 LYS HA 2 74 ILE MG 1.800 . 5.000 2.746 2.148 4.446 . 0 0 "[ . 1 . 2]" 1
812 2 5 ALA MB 2 61 ILE HA 1.800 . 5.000 2.924 2.341 3.676 . 0 0 "[ . 1 . 2]" 1
813 2 60 VAL MG1 2 63 GLY QA 1.800 . 5.000 2.759 2.433 3.380 . 0 0 "[ . 1 . 2]" 1
814 2 58 ALA MB 2 67 HIS HA 1.800 . 5.000 1.926 1.787 2.229 0.013 2 0 "[ . 1 . 2]" 1
815 2 14 VAL MG1 2 71 GLY QA 1.800 . 5.000 2.724 1.774 3.546 0.026 19 0 "[ . 1 . 2]" 1
816 2 14 VAL MG2 2 71 GLY QA 1.800 . 5.000 3.021 2.058 3.969 . 0 0 "[ . 1 . 2]" 1
817 2 45 ILE MD 2 78 LYS HA 1.800 . 5.000 4.191 2.688 5.027 0.027 19 0 "[ . 1 . 2]" 1
818 1 9 HIS H 1 9 HIS HD2 1.800 . 4.000 3.033 2.328 3.563 . 0 0 "[ . 1 . 2]" 1
819 1 14 VAL H 1 14 VAL MG2 1.800 . 3.500 1.966 1.857 2.139 . 0 0 "[ . 1 . 2]" 1
820 1 22 VAL H 1 22 VAL MG2 1.800 . 3.500 2.015 1.927 2.149 . 0 0 "[ . 1 . 2]" 1
821 1 36 VAL H 1 36 VAL MG2 1.800 . 3.500 2.706 2.564 2.823 . 0 0 "[ . 1 . 2]" 1
822 1 38 LEU HA 1 38 LEU MD2 1.800 . 4.000 2.269 1.871 3.869 . 0 0 "[ . 1 . 2]" 1
823 1 56 VAL H 1 56 VAL MG2 1.800 . 3.500 2.138 2.018 2.216 . 0 0 "[ . 1 . 2]" 1
824 1 67 HIS H 1 67 HIS HD1 1.800 . 4.000 2.472 2.196 3.225 . 0 0 "[ . 1 . 2]" 1
825 2 9 HIS H 2 9 HIS HD2 1.800 . 4.000 2.848 2.302 3.538 . 0 0 "[ . 1 . 2]" 1
826 2 14 VAL H 2 14 VAL MG2 1.800 . 3.500 2.040 1.900 2.938 . 0 0 "[ . 1 . 2]" 1
827 2 22 VAL H 2 22 VAL MG2 1.800 . 3.500 2.022 1.940 2.157 . 0 0 "[ . 1 . 2]" 1
828 2 36 VAL H 2 36 VAL MG2 1.800 . 3.500 2.678 2.543 2.846 . 0 0 "[ . 1 . 2]" 1
829 2 38 LEU HA 2 38 LEU MD2 1.800 . 4.000 2.455 1.868 3.879 . 0 0 "[ . 1 . 2]" 1
830 2 56 VAL H 2 56 VAL MG2 1.800 . 3.500 1.835 1.796 1.866 0.004 19 0 "[ . 1 . 2]" 1
831 2 67 HIS H 2 67 HIS HD1 1.800 . 4.000 2.612 2.230 3.468 . 0 0 "[ . 1 . 2]" 1
832 1 12 CYS QB 1 13 PRO QG 1.800 . 5.000 3.855 3.192 5.032 0.032 8 0 "[ . 1 . 2]" 1
833 1 12 CYS QB 1 13 PRO QD 1.800 . 5.000 2.235 1.777 3.313 0.023 11 0 "[ . 1 . 2]" 1
834 1 27 ASP QB 1 28 PRO QD 1.800 . 5.000 2.955 1.780 3.604 0.020 13 0 "[ . 1 . 2]" 1
835 1 27 ASP HA 1 28 PRO QD 1.800 . 5.000 1.900 1.779 2.297 0.021 1 0 "[ . 1 . 2]" 1
836 1 32 THR HA 1 33 VAL MG2 1.800 . 5.000 3.686 3.332 3.845 . 0 0 "[ . 1 . 2]" 1
837 1 40 THR MG 1 41 ASP HA 1.800 . 5.000 3.748 3.340 4.279 . 0 0 "[ . 1 . 2]" 1
838 1 45 ILE MG 1 46 ALA HA 1.800 . 5.000 3.440 2.993 3.631 . 0 0 "[ . 1 . 2]" 1
839 1 56 VAL MG1 1 57 PRO HA 1.800 . 5.000 3.016 2.928 3.180 . 0 0 "[ . 1 . 2]" 1
840 1 56 VAL HB 1 57 PRO HA 1.800 . 5.000 2.183 1.933 2.523 . 0 0 "[ . 1 . 2]" 1
841 1 61 ILE MG 1 62 ASP QB 1.800 . 5.000 2.709 2.466 3.240 . 0 0 "[ . 1 . 2]" 1
842 1 61 ILE MG 1 62 ASP HA 1.800 . 5.500 4.263 4.026 4.588 . 0 0 "[ . 1 . 2]" 1
843 2 12 CYS QB 2 13 PRO QG 1.800 . 5.000 3.688 3.093 4.333 . 0 0 "[ . 1 . 2]" 1
844 2 12 CYS QB 2 13 PRO QD 1.800 . 5.000 2.067 1.732 2.503 0.068 19 0 "[ . 1 . 2]" 1
845 2 27 ASP QB 2 28 PRO QD 1.800 . 5.000 2.909 1.765 3.577 0.035 11 0 "[ . 1 . 2]" 1
846 2 27 ASP HA 2 28 PRO QD 1.800 . 5.000 1.884 1.777 2.283 0.023 2 0 "[ . 1 . 2]" 1
847 2 32 THR HA 2 33 VAL MG2 1.800 . 5.000 3.710 3.431 3.854 . 0 0 "[ . 1 . 2]" 1
848 2 40 THR MG 2 41 ASP HA 1.800 . 5.000 3.786 3.238 5.145 0.145 20 0 "[ . 1 . 2]" 1
849 2 45 ILE MG 2 46 ALA HA 1.800 . 5.000 3.396 2.966 3.593 . 0 0 "[ . 1 . 2]" 1
850 2 56 VAL MG1 2 57 PRO HA 1.800 . 5.000 4.805 3.181 5.030 0.030 8 0 "[ . 1 . 2]" 1
851 2 56 VAL HB 2 57 PRO HA 1.800 . 5.000 4.011 3.779 4.530 . 0 0 "[ . 1 . 2]" 1
852 2 61 ILE MG 2 62 ASP QB 1.800 . 5.000 2.674 2.395 2.927 . 0 0 "[ . 1 . 2]" 1
853 2 61 ILE MG 2 62 ASP HA 1.800 . 5.500 4.276 3.954 4.623 . 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 130
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 665.009
_Distance_constraint_stats_list.Viol_max 1.250
_Distance_constraint_stats_list.Viol_rms 0.0819
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.0873
_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 5 ALA 0.045 0.022 6 0 "[ . 1 . 2]"
1 6 ILE 0.308 0.041 11 0 "[ . 1 . 2]"
1 7 PHE 0.107 0.029 14 0 "[ . 1 . 2]"
1 8 TYR 0.007 0.005 2 0 "[ . 1 . 2]"
1 9 HIS 0.037 0.013 8 0 "[ . 1 . 2]"
1 15 CYS 0.005 0.005 8 0 "[ . 1 . 2]"
1 16 VAL 0.002 0.002 20 0 "[ . 1 . 2]"
1 17 SER 0.246 0.041 8 0 "[ . 1 . 2]"
1 18 ALA 1.214 0.683 19 1 "[ . 1 . +2]"
1 19 GLU 17.889 1.250 3 15 "[* +-* * ******** * *]"
1 20 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 21 ALA 0.293 0.041 8 0 "[ . 1 . 2]"
1 22 VAL 0.021 0.010 15 0 "[ . 1 . 2]"
1 23 ALA 19.095 1.250 3 16 "[* +-* * ******** ***]"
1 25 ALA 0.047 0.012 7 0 "[ . 1 . 2]"
1 26 ILE 0.018 0.010 15 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.123 0.029 14 0 "[ . 1 . 2]"
1 36 VAL 0.038 0.014 2 0 "[ . 1 . 2]"
1 38 LEU 0.027 0.013 8 0 "[ . 1 . 2]"
1 44 ARG 0.013 0.013 11 0 "[ . 1 . 2]"
1 45 ILE 0.045 0.025 10 0 "[ . 1 . 2]"
1 47 GLU 0.018 0.013 13 0 "[ . 1 . 2]"
1 48 ALA 0.013 0.013 11 0 "[ . 1 . 2]"
1 49 GLU 0.045 0.025 10 0 "[ . 1 . 2]"
1 51 ALA 0.018 0.013 13 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.320 0.036 15 0 "[ . 1 . 2]"
1 56 VAL 0.164 0.022 1 0 "[ . 1 . 2]"
1 57 PRO 0.018 0.011 1 0 "[ . 1 . 2]"
1 58 ALA 0.007 0.005 2 0 "[ . 1 . 2]"
1 59 LEU 0.089 0.027 5 0 "[ . 1 . 2]"
1 60 VAL 0.308 0.041 11 0 "[ . 1 . 2]"
1 61 ILE 0.078 0.042 4 0 "[ . 1 . 2]"
1 64 ALA 0.078 0.042 4 0 "[ . 1 . 2]"
1 66 PHE 0.089 0.027 5 0 "[ . 1 . 2]"
1 67 HIS 0.584 0.075 16 0 "[ . 1 . 2]"
1 68 ILE 0.018 0.011 1 0 "[ . 1 . 2]"
1 69 ASN 0.114 0.041 2 0 "[ . 1 . 2]"
1 72 ALA 0.164 0.022 1 0 "[ . 1 . 2]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ALA 0.017 0.015 4 0 "[ . 1 . 2]"
2 6 ILE 0.257 0.039 17 0 "[ . 1 . 2]"
2 7 PHE 0.054 0.017 16 0 "[ . 1 . 2]"
2 8 TYR 0.033 0.018 17 0 "[ . 1 . 2]"
2 9 HIS 0.106 0.024 11 0 "[ . 1 . 2]"
2 15 CYS 0.033 0.023 19 0 "[ . 1 . 2]"
2 16 VAL 0.044 0.016 14 0 "[ . 1 . 2]"
2 17 SER 0.242 0.040 19 0 "[ . 1 . 2]"
2 18 ALA 5.242 1.019 19 3 "[ . * 1 . -+2]"
2 19 GLU 0.033 0.023 19 0 "[ . 1 . 2]"
2 20 GLN 0.044 0.016 14 0 "[ . 1 . 2]"
2 21 ALA 0.283 0.040 19 0 "[ . 1 . 2]"
2 22 VAL 0.030 0.016 20 0 "[ . 1 . 2]"
2 23 ALA 5.242 1.019 19 3 "[ . * 1 . -+2]"
2 25 ALA 0.042 0.021 19 0 "[ . 1 . 2]"
2 26 ILE 0.030 0.016 20 0 "[ . 1 . 2]"
2 27 ASP 0.004 0.002 11 0 "[ . 1 . 2]"
2 31 TYR 0.004 0.002 11 0 "[ . 1 . 2]"
2 34 GLU 0.052 0.017 16 0 "[ . 1 . 2]"
2 36 VAL 0.086 0.024 11 0 "[ . 1 . 2]"
2 38 LEU 0.040 0.021 5 0 "[ . 1 . 2]"
2 44 ARG 0.014 0.006 10 0 "[ . 1 . 2]"
2 45 ILE 0.031 0.016 16 0 "[ . 1 . 2]"
2 47 GLU 0.053 0.017 17 0 "[ . 1 . 2]"
2 48 ALA 0.014 0.006 10 0 "[ . 1 . 2]"
2 49 GLU 0.031 0.016 16 0 "[ . 1 . 2]"
2 51 ALA 0.053 0.017 17 0 "[ . 1 . 2]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 LYS 0.003 0.003 20 0 "[ . 1 . 2]"
2 55 SER 0.670 0.058 8 0 "[ . 1 . 2]"
2 56 VAL 4.711 0.177 14 0 "[ . 1 . 2]"
2 57 PRO 0.520 0.060 19 0 "[ . 1 . 2]"
2 58 ALA 0.033 0.018 17 0 "[ . 1 . 2]"
2 59 LEU 0.028 0.018 20 0 "[ . 1 . 2]"
2 60 VAL 0.257 0.039 17 0 "[ . 1 . 2]"
2 61 ILE 0.075 0.026 15 0 "[ . 1 . 2]"
2 64 ALA 0.075 0.026 15 0 "[ . 1 . 2]"
2 66 PHE 0.028 0.018 20 0 "[ . 1 . 2]"
2 67 HIS 0.784 0.058 8 0 "[ . 1 . 2]"
2 68 ILE 0.520 0.060 19 0 "[ . 1 . 2]"
2 69 ASN 0.264 0.075 16 0 "[ . 1 . 2]"
2 72 ALA 4.711 0.177 14 0 "[ . 1 . 2]"
2 74 ILE 0.003 0.003 20 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 6 ILE N 1 60 VAL O 2.700 2.700 3.300 2.819 2.680 3.056 0.020 15 0 "[ . 1 . 2]" 2
2 1 6 ILE H 1 60 VAL O 1.700 . 2.300 1.900 1.702 2.217 . 0 0 "[ . 1 . 2]" 2
3 1 7 PHE N 1 34 GLU O 2.700 2.700 3.300 2.743 2.671 2.900 0.029 14 0 "[ . 1 . 2]" 2
4 1 7 PHE H 1 34 GLU O 1.700 . 2.300 1.793 1.720 1.941 . 0 0 "[ . 1 . 2]" 2
5 1 8 TYR N 1 58 ALA O 2.700 2.700 3.300 2.794 2.713 2.861 . 0 0 "[ . 1 . 2]" 2
6 1 8 TYR H 1 58 ALA O 1.700 . 2.300 1.868 1.746 2.005 . 0 0 "[ . 1 . 2]" 2
7 1 9 HIS N 1 36 VAL O 2.700 2.700 3.300 3.091 2.863 3.270 . 0 0 "[ . 1 . 2]" 2
8 1 9 HIS H 1 36 VAL O 1.700 . 2.300 2.135 1.902 2.308 0.008 8 0 "[ . 1 . 2]" 2
9 1 15 CYS O 1 19 GLU N 2.700 2.700 3.300 2.842 2.695 2.945 0.005 8 0 "[ . 1 . 2]" 2
10 1 15 CYS O 1 19 GLU H 1.700 . 2.300 1.945 1.761 2.076 . 0 0 "[ . 1 . 2]" 2
11 1 16 VAL O 1 20 GLN N 2.700 2.700 3.300 2.941 2.717 3.210 . 0 0 "[ . 1 . 2]" 2
12 1 16 VAL O 1 20 GLN H 1.700 . 2.300 2.012 1.779 2.302 0.002 20 0 "[ . 1 . 2]" 2
13 1 17 SER O 1 21 ALA N 2.700 2.700 3.300 3.022 2.839 3.178 . 0 0 "[ . 1 . 2]" 2
14 1 17 SER O 1 21 ALA H 1.700 . 2.300 2.247 1.859 2.341 0.041 8 0 "[ . 1 . 2]" 2
15 1 18 ALA O 1 22 VAL N 2.700 2.700 3.400 2.823 2.705 2.979 . 0 0 "[ . 1 . 2]" 2
16 1 18 ALA O 1 22 VAL H 1.700 . 2.400 2.151 1.884 2.403 0.003 16 0 "[ . 1 . 2]" 2
17 1 18 ALA O 1 23 ALA N 2.700 2.700 3.400 3.069 2.793 3.928 0.528 19 1 "[ . 1 . +2]" 2
18 1 18 ALA O 1 23 ALA H 1.700 . 2.400 2.128 1.819 3.083 0.683 19 1 "[ . 1 . +2]" 2
19 1 19 GLU O 1 23 ALA N 2.700 2.700 3.300 3.491 3.082 4.100 0.800 3 3 "[ +-. 1 * 2]" 2
20 1 19 GLU O 1 23 ALA H 1.700 . 2.300 2.967 2.312 3.550 1.250 3 15 "[- +** * ******** * *]" 2
21 1 21 ALA O 1 25 ALA N 2.700 2.700 3.400 2.952 2.823 3.184 . 0 0 "[ . 1 . 2]" 2
22 1 21 ALA O 1 25 ALA H 1.700 . 2.400 2.234 1.989 2.412 0.012 7 0 "[ . 1 . 2]" 2
23 1 22 VAL O 1 26 ILE N 2.700 2.700 3.400 3.126 2.939 3.361 . 0 0 "[ . 1 . 2]" 2
24 1 22 VAL O 1 26 ILE H 1.700 . 2.400 2.222 2.018 2.410 0.010 15 0 "[ . 1 . 2]" 2
25 1 27 ASP O 1 31 TYR N 2.700 2.700 3.300 2.943 2.758 3.198 . 0 0 "[ . 1 . 2]" 2
26 1 27 ASP O 1 31 TYR H 1.700 . 2.300 1.983 1.789 2.236 . 0 0 "[ . 1 . 2]" 2
27 1 5 ALA O 1 34 GLU N 2.700 2.700 3.300 2.774 2.678 2.976 0.022 6 0 "[ . 1 . 2]" 2
28 1 5 ALA O 1 34 GLU H 1.700 . 2.300 1.819 1.701 2.035 . 0 0 "[ . 1 . 2]" 2
29 1 7 PHE O 1 36 VAL N 2.700 2.700 3.300 2.770 2.686 2.934 0.014 2 0 "[ . 1 . 2]" 2
30 1 7 PHE O 1 36 VAL H 1.700 . 2.300 1.797 1.704 1.963 . 0 0 "[ . 1 . 2]" 2
31 1 9 HIS O 1 38 LEU N 2.700 2.700 3.300 2.746 2.687 2.870 0.013 8 0 "[ . 1 . 2]" 2
32 1 9 HIS O 1 38 LEU H 1.700 . 2.300 1.791 1.708 2.029 . 0 0 "[ . 1 . 2]" 2
33 1 44 ARG O 1 48 ALA N 2.700 2.700 3.300 2.891 2.708 3.240 . 0 0 "[ . 1 . 2]" 2
34 1 44 ARG O 1 48 ALA H 1.700 . 2.300 1.990 1.787 2.313 0.013 11 0 "[ . 1 . 2]" 2
35 1 45 ILE O 1 49 GLU N 2.700 2.700 3.300 3.024 2.815 3.269 . 0 0 "[ . 1 . 2]" 2
36 1 45 ILE O 1 49 GLU H 1.700 . 2.300 2.095 1.873 2.325 0.025 10 0 "[ . 1 . 2]" 2
37 1 47 GLU O 1 51 ALA N 2.700 2.700 3.300 2.933 2.762 3.172 . 0 0 "[ . 1 . 2]" 2
38 1 47 GLU O 1 51 ALA H 1.700 . 2.300 2.097 1.899 2.313 0.013 13 0 "[ . 1 . 2]" 2
39 1 48 ALA O 1 53 VAL N 2.700 2.700 3.300 2.819 2.723 2.939 . 0 0 "[ . 1 . 2]" 2
40 1 48 ALA O 1 53 VAL H 1.700 . 2.300 1.880 1.779 2.013 . 0 0 "[ . 1 . 2]" 2
41 1 56 VAL N 1 72 ALA O 2.700 2.700 3.300 2.756 2.688 2.877 0.012 1 0 "[ . 1 . 2]" 2
42 1 56 VAL H 1 72 ALA O 1.700 . 2.300 1.788 1.703 1.924 . 0 0 "[ . 1 . 2]" 2
43 1 8 TYR O 1 58 ALA N 2.700 2.700 3.300 2.798 2.695 2.922 0.005 2 0 "[ . 1 . 2]" 2
44 1 8 TYR O 1 58 ALA H 1.700 . 2.300 1.841 1.736 1.952 . 0 0 "[ . 1 . 2]" 2
45 1 59 LEU N 1 66 PHE O 2.700 2.700 3.300 2.714 2.673 2.775 0.027 5 0 "[ . 1 . 2]" 2
46 1 59 LEU H 1 66 PHE O 1.700 . 2.300 1.746 1.692 1.794 0.008 5 0 "[ . 1 . 2]" 2
47 1 6 ILE O 1 60 VAL N 2.700 2.700 3.300 2.687 2.659 2.708 0.041 11 0 "[ . 1 . 2]" 2
48 1 6 ILE O 1 60 VAL H 1.700 . 2.300 1.721 1.698 1.745 0.002 17 0 "[ . 1 . 2]" 2
49 1 61 ILE N 1 64 ALA O 2.700 2.700 3.300 2.761 2.688 2.941 0.012 16 0 "[ . 1 . 2]" 2
50 1 61 ILE H 1 64 ALA O 1.700 . 2.300 1.918 1.796 2.239 . 0 0 "[ . 1 . 2]" 2
51 1 61 ILE O 1 64 ALA N 2.700 2.700 3.300 3.033 2.910 3.178 . 0 0 "[ . 1 . 2]" 2
52 1 61 ILE O 1 64 ALA H 1.700 . 2.300 2.112 1.945 2.342 0.042 4 0 "[ . 1 . 2]" 2
53 1 59 LEU O 1 66 PHE N 2.700 2.700 3.300 2.777 2.722 2.868 . 0 0 "[ . 1 . 2]" 2
54 1 59 LEU O 1 66 PHE H 1.700 . 2.300 1.821 1.742 1.964 . 0 0 "[ . 1 . 2]" 2
55 1 57 PRO O 1 68 ILE N 2.700 2.700 3.300 2.855 2.716 3.030 . 0 0 "[ . 1 . 2]" 2
56 1 57 PRO O 1 68 ILE H 1.700 . 2.300 1.958 1.744 2.311 0.011 1 0 "[ . 1 . 2]" 2
57 1 56 VAL O 1 72 ALA N 2.700 2.700 3.300 3.214 3.001 3.304 0.004 1 0 "[ . 1 . 2]" 2
58 1 56 VAL O 1 72 ALA H 1.700 . 2.300 2.254 2.048 2.322 0.022 1 0 "[ . 1 . 2]" 2
59 1 54 LYS O 1 74 ILE N 2.700 2.700 3.300 2.835 2.713 3.051 . 0 0 "[ . 1 . 2]" 2
60 1 54 LYS O 1 74 ILE H 1.700 . 2.300 1.869 1.733 2.113 . 0 0 "[ . 1 . 2]" 2
61 2 6 ILE N 2 60 VAL O 2.700 2.700 3.300 2.780 2.685 2.978 0.015 20 0 "[ . 1 . 2]" 2
62 2 6 ILE H 2 60 VAL O 1.700 . 2.300 1.854 1.719 2.072 . 0 0 "[ . 1 . 2]" 2
63 2 7 PHE N 2 34 GLU O 2.700 2.700 3.300 2.765 2.683 2.914 0.017 16 0 "[ . 1 . 2]" 2
64 2 7 PHE H 2 34 GLU O 1.700 . 2.300 1.817 1.706 1.958 . 0 0 "[ . 1 . 2]" 2
65 2 8 TYR N 2 58 ALA O 2.700 2.700 3.300 2.931 2.742 3.190 . 0 0 "[ . 1 . 2]" 2
66 2 8 TYR H 2 58 ALA O 1.700 . 2.300 2.027 1.810 2.318 0.018 17 0 "[ . 1 . 2]" 2
67 2 9 HIS N 2 36 VAL O 2.700 2.700 3.300 3.134 2.875 3.271 . 0 0 "[ . 1 . 2]" 2
68 2 9 HIS H 2 36 VAL O 1.700 . 2.300 2.183 1.893 2.324 0.024 11 0 "[ . 1 . 2]" 2
69 2 15 CYS O 2 19 GLU N 2.700 2.700 3.300 2.837 2.677 3.116 0.023 19 0 "[ . 1 . 2]" 2
70 2 15 CYS O 2 19 GLU H 1.700 . 2.300 1.928 1.751 2.310 0.010 16 0 "[ . 1 . 2]" 2
71 2 16 VAL O 2 20 GLN N 2.700 2.700 3.300 2.992 2.798 3.215 . 0 0 "[ . 1 . 2]" 2
72 2 16 VAL O 2 20 GLN H 1.700 . 2.300 2.070 1.827 2.316 0.016 14 0 "[ . 1 . 2]" 2
73 2 17 SER O 2 21 ALA N 2.700 2.700 3.300 3.024 2.804 3.300 0.000 7 0 "[ . 1 . 2]" 2
74 2 17 SER O 2 21 ALA H 1.700 . 2.300 2.243 1.961 2.340 0.040 19 0 "[ . 1 . 2]" 2
75 2 18 ALA O 2 22 VAL N 2.700 2.700 3.400 2.828 2.743 2.963 . 0 0 "[ . 1 . 2]" 2
76 2 18 ALA O 2 22 VAL H 1.700 . 2.400 2.133 1.780 2.361 . 0 0 "[ . 1 . 2]" 2
77 2 18 ALA O 2 23 ALA N 2.700 2.700 3.400 3.213 2.729 4.244 0.844 19 2 "[ . - 1 . +2]" 2
78 2 18 ALA O 2 23 ALA H 1.700 . 2.400 2.295 1.761 3.419 1.019 19 3 "[ . * 1 . -+2]" 2
79 2 21 ALA O 2 25 ALA N 2.700 2.700 3.400 2.905 2.744 3.189 . 0 0 "[ . 1 . 2]" 2
80 2 21 ALA O 2 25 ALA H 1.700 . 2.400 2.179 1.890 2.421 0.021 19 0 "[ . 1 . 2]" 2
81 2 22 VAL O 2 26 ILE N 2.700 2.700 3.400 3.083 2.824 3.376 . 0 0 "[ . 1 . 2]" 2
82 2 22 VAL O 2 26 ILE H 1.700 . 2.400 2.143 1.852 2.416 0.016 20 0 "[ . 1 . 2]" 2
83 2 27 ASP O 2 31 TYR N 2.700 2.700 3.300 2.968 2.812 3.261 . 0 0 "[ . 1 . 2]" 2
84 2 27 ASP O 2 31 TYR H 1.700 . 2.300 2.004 1.839 2.302 0.002 11 0 "[ . 1 . 2]" 2
85 2 5 ALA O 2 34 GLU N 2.700 2.700 3.300 2.758 2.685 3.021 0.015 4 0 "[ . 1 . 2]" 2
86 2 5 ALA O 2 34 GLU H 1.700 . 2.300 1.802 1.710 2.086 . 0 0 "[ . 1 . 2]" 2
87 2 7 PHE O 2 36 VAL N 2.700 2.700 3.300 2.751 2.688 2.919 0.012 19 0 "[ . 1 . 2]" 2
88 2 7 PHE O 2 36 VAL H 1.700 . 2.300 1.779 1.711 1.952 . 0 0 "[ . 1 . 2]" 2
89 2 9 HIS O 2 38 LEU N 2.700 2.700 3.300 2.775 2.679 3.017 0.021 5 0 "[ . 1 . 2]" 2
90 2 9 HIS O 2 38 LEU H 1.700 . 2.300 1.809 1.697 2.054 0.003 5 0 "[ . 1 . 2]" 2
91 2 44 ARG O 2 48 ALA N 2.700 2.700 3.300 2.897 2.694 3.208 0.006 18 0 "[ . 1 . 2]" 2
92 2 44 ARG O 2 48 ALA H 1.700 . 2.300 1.993 1.730 2.306 0.006 10 0 "[ . 1 . 2]" 2
93 2 45 ILE O 2 49 GLU N 2.700 2.700 3.300 3.045 2.895 3.244 . 0 0 "[ . 1 . 2]" 2
94 2 45 ILE O 2 49 GLU H 1.700 . 2.300 2.122 1.949 2.316 0.016 16 0 "[ . 1 . 2]" 2
95 2 47 GLU O 2 51 ALA N 2.700 2.700 3.300 3.001 2.704 3.210 . 0 0 "[ . 1 . 2]" 2
96 2 47 GLU O 2 51 ALA H 1.700 . 2.300 2.162 1.792 2.317 0.017 17 0 "[ . 1 . 2]" 2
97 2 48 ALA O 2 53 VAL N 2.700 2.700 3.300 2.830 2.717 2.932 . 0 0 "[ . 1 . 2]" 2
98 2 48 ALA O 2 53 VAL H 1.700 . 2.300 1.909 1.741 2.153 . 0 0 "[ . 1 . 2]" 2
99 2 56 VAL N 2 72 ALA O 2.700 2.700 3.300 2.682 2.647 2.796 0.053 9 0 "[ . 1 . 2]" 2
100 2 56 VAL H 2 72 ALA O 1.700 . 2.300 1.851 1.737 2.178 . 0 0 "[ . 1 . 2]" 2
101 2 8 TYR O 2 58 ALA N 2.700 2.700 3.300 3.081 2.800 3.234 . 0 0 "[ . 1 . 2]" 2
102 2 8 TYR O 2 58 ALA H 1.700 . 2.300 2.136 1.851 2.303 0.003 1 0 "[ . 1 . 2]" 2
103 2 59 LEU N 2 66 PHE O 2.700 2.700 3.300 2.737 2.682 2.847 0.018 20 0 "[ . 1 . 2]" 2
104 2 59 LEU H 2 66 PHE O 1.700 . 2.300 1.767 1.715 1.879 . 0 0 "[ . 1 . 2]" 2
105 2 6 ILE O 2 60 VAL N 2.700 2.700 3.300 2.696 2.661 2.768 0.039 17 0 "[ . 1 . 2]" 2
106 2 6 ILE O 2 60 VAL H 1.700 . 2.300 1.726 1.697 1.833 0.003 20 0 "[ . 1 . 2]" 2
107 2 61 ILE N 2 64 ALA O 2.700 2.700 3.300 2.766 2.696 2.880 0.004 20 0 "[ . 1 . 2]" 2
108 2 61 ILE H 2 64 ALA O 1.700 . 2.300 1.935 1.794 2.042 . 0 0 "[ . 1 . 2]" 2
109 2 61 ILE O 2 64 ALA N 2.700 2.700 3.300 3.006 2.875 3.225 . 0 0 "[ . 1 . 2]" 2
110 2 61 ILE O 2 64 ALA H 1.700 . 2.300 2.084 1.921 2.326 0.026 15 0 "[ . 1 . 2]" 2
111 2 59 LEU O 2 66 PHE N 2.700 2.700 3.300 2.753 2.694 2.904 0.006 12 0 "[ . 1 . 2]" 2
112 2 59 LEU O 2 66 PHE H 1.700 . 2.300 1.816 1.733 2.051 . 0 0 "[ . 1 . 2]" 2
113 2 57 PRO O 2 68 ILE N 2.700 2.700 3.300 3.139 2.804 3.259 . 0 0 "[ . 1 . 2]" 2
114 2 57 PRO O 2 68 ILE H 1.700 . 2.300 2.300 1.974 2.360 0.060 19 0 "[ . 1 . 2]" 2
115 2 56 VAL O 2 72 ALA N 2.700 2.700 3.300 3.370 3.342 3.393 0.093 3 0 "[ . 1 . 2]" 2
116 2 56 VAL O 2 72 ALA H 1.700 . 2.300 2.441 2.369 2.477 0.177 14 0 "[ . 1 . 2]" 2
117 2 54 LYS O 2 74 ILE N 2.700 2.700 3.300 2.939 2.727 3.262 . 0 0 "[ . 1 . 2]" 2
118 2 54 LYS O 2 74 ILE H 1.700 . 2.300 1.981 1.751 2.303 0.003 20 0 "[ . 1 . 2]" 2
119 1 55 SER N 1 67 HIS NE2 2.700 2.700 3.300 3.164 3.076 3.273 . 0 0 "[ . 1 . 2]" 2
120 1 55 SER H 1 67 HIS NE2 1.700 . 2.300 2.315 2.288 2.336 0.036 15 0 "[ . 1 . 2]" 2
121 2 55 SER N 2 67 HIS NE2 2.700 2.700 3.300 3.103 3.000 3.320 0.020 19 0 "[ . 1 . 2]" 2
122 2 55 SER H 2 67 HIS NE2 1.700 . 2.300 2.331 2.281 2.358 0.058 8 0 "[ . 1 . 2]" 2
123 1 67 HIS N 2 69 ASN OD1 2.700 2.700 3.300 2.828 2.711 3.295 . 0 0 "[ . 1 . 2]" 2
124 1 67 HIS H 2 69 ASN OD1 1.700 . 2.300 1.876 1.735 2.337 0.037 3 0 "[ . 1 . 2]" 2
125 1 69 ASN OD1 2 67 HIS N 2.700 2.700 3.300 2.866 2.699 3.274 0.001 1 0 "[ . 1 . 2]" 2
126 1 69 ASN OD1 2 67 HIS H 1.700 . 2.300 1.927 1.769 2.329 0.029 19 0 "[ . 1 . 2]" 2
127 1 69 ASN N 2 67 HIS O 2.700 2.700 3.300 2.755 2.659 2.924 0.041 2 0 "[ . 1 . 2]" 2
128 1 69 ASN H 2 67 HIS O 1.700 . 2.300 1.831 1.725 1.995 . 0 0 "[ . 1 . 2]" 2
129 1 67 HIS O 2 69 ASN N 2.700 2.700 3.300 2.721 2.680 2.894 0.020 18 0 "[ . 1 . 2]" 2
130 1 67 HIS O 2 69 ASN H 1.700 . 2.300 1.828 1.704 2.375 0.075 16 0 "[ . 1 . 2]" 2
stop_
save_