NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436211 |
2k0l   |
15651 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k0l
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 490
_Distance_constraint_stats_list.Viol_count 1262
_Distance_constraint_stats_list.Viol_total 324.854
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.042 0.010 11 0 "[ . 1 . 2]"
1 19 TRP 0.011 0.007 5 0 "[ . 1 . 2]"
1 20 TYR 0.021 0.007 16 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.059 0.015 13 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.873 0.051 6 0 "[ . 1 . 2]"
1 25 LEU 0.894 0.024 11 0 "[ . 1 . 2]"
1 26 GLY 0.021 0.007 5 0 "[ . 1 . 2]"
1 27 TRP 0.036 0.007 12 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.005 0.004 3 0 "[ . 1 . 2]"
1 53 GLY 0.016 0.007 5 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.195 0.022 20 0 "[ . 1 . 2]"
1 56 ALA 0.006 0.006 14 0 "[ . 1 . 2]"
1 57 PHE 0.059 0.015 13 0 "[ . 1 . 2]"
1 58 GLY 0.016 0.009 10 0 "[ . 1 . 2]"
1 59 GLY 0.029 0.009 10 0 "[ . 1 . 2]"
1 60 TYR 0.040 0.011 14 0 "[ . 1 . 2]"
1 61 GLN 0.064 0.010 11 0 "[ . 1 . 2]"
1 62 VAL 0.514 0.043 12 0 "[ . 1 . 2]"
1 63 ASN 0.032 0.010 15 0 "[ . 1 . 2]"
1 65 TYR 0.057 0.024 4 0 "[ . 1 . 2]"
1 66 LEU 0.696 0.043 12 0 "[ . 1 . 2]"
1 67 GLY 0.038 0.024 4 0 "[ . 1 . 2]"
1 68 PHE 0.060 0.012 14 0 "[ . 1 . 2]"
1 69 GLU 1.447 0.064 16 0 "[ . 1 . 2]"
1 70 MET 0.007 0.007 20 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TYR 0.295 0.024 13 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.015 0.007 2 0 "[ . 1 . 2]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASN 0.016 0.007 2 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.222 0.021 10 0 "[ . 1 . 2]"
1 94 VAL 1.109 0.027 13 0 "[ . 1 . 2]"
1 95 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 LEU 1.606 0.038 9 0 "[ . 1 . 2]"
1 97 THR 1.034 0.064 16 0 "[ . 1 . 2]"
1 98 ALA 0.360 0.036 10 0 "[ . 1 . 2]"
1 99 LYS 0.083 0.011 19 0 "[ . 1 . 2]"
1 100 LEU 0.355 0.017 15 0 "[ . 1 . 2]"
1 101 GLY 0.036 0.007 16 0 "[ . 1 . 2]"
1 102 TYR 0.461 0.048 8 0 "[ . 1 . 2]"
1 104 ILE 1.533 0.063 17 0 "[ . 1 . 2]"
1 105 THR 0.114 0.045 12 0 "[ . 1 . 2]"
1 106 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASP 0.020 0.020 12 0 "[ . 1 . 2]"
1 108 LEU 1.828 0.063 17 0 "[ . 1 . 2]"
1 109 ASP 0.068 0.030 12 0 "[ . 1 . 2]"
1 110 ILE 0.456 0.045 12 0 "[ . 1 . 2]"
1 111 TYR 0.589 0.035 10 0 "[ . 1 . 2]"
1 112 THR 0.072 0.010 9 0 "[ . 1 . 2]"
1 113 ARG 0.176 0.017 15 0 "[ . 1 . 2]"
1 114 LEU 1.225 0.038 10 0 "[ . 1 . 2]"
1 115 GLY 0.691 0.026 7 0 "[ . 1 . 2]"
1 116 GLY 0.571 0.032 18 0 "[ . 1 . 2]"
1 117 MET 0.121 0.020 8 0 "[ . 1 . 2]"
1 118 VAL 1.423 0.030 1 0 "[ . 1 . 2]"
1 119 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ARG 0.222 0.021 10 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 9 0 "[ . 1 . 2]"
1 126 ASN 0.001 0.001 6 0 "[ . 1 . 2]"
1 138 ASP 0.000 0.000 9 0 "[ . 1 . 2]"
1 139 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 141 VAL 0.552 0.030 1 0 "[ . 1 . 2]"
1 142 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 VAL 0.667 0.030 3 0 "[ . 1 . 2]"
1 145 PHE 0.073 0.014 3 0 "[ . 1 . 2]"
1 146 ALA 0.460 0.038 10 0 "[ . 1 . 2]"
1 147 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 GLY 0.218 0.031 7 0 "[ . 1 . 2]"
1 149 VAL 1.519 0.038 4 0 "[ . 1 . 2]"
1 150 GLU 0.653 0.038 4 0 "[ . 1 . 2]"
1 151 TRP 0.238 0.024 5 0 "[ . 1 . 2]"
1 152 ALA 0.022 0.009 9 0 "[ . 1 . 2]"
1 153 VAL 1.024 0.037 4 0 "[ . 1 . 2]"
1 154 THR 0.009 0.009 20 0 "[ . 1 . 2]"
1 155 ARG 0.097 0.020 13 0 "[ . 1 . 2]"
1 156 ASP 0.022 0.021 17 0 "[ . 1 . 2]"
1 157 ILE 0.327 0.037 4 0 "[ . 1 . 2]"
1 158 ALA 1.091 0.040 7 0 "[ . 1 . 2]"
1 159 THR 0.377 0.028 7 0 "[ . 1 . 2]"
1 160 ARG 0.026 0.008 10 0 "[ . 1 . 2]"
1 161 LEU 1.408 0.040 20 0 "[ . 1 . 2]"
1 162 GLU 0.225 0.024 1 0 "[ . 1 . 2]"
1 163 TYR 0.032 0.007 10 0 "[ . 1 . 2]"
1 172 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 173 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 184 LEU 0.146 0.011 15 0 "[ . 1 . 2]"
1 185 SER 0.005 0.005 15 0 "[ . 1 . 2]"
1 186 LEU 1.629 0.040 20 0 "[ . 1 . 2]"
1 187 GLY 0.008 0.008 10 0 "[ . 1 . 2]"
1 188 VAL 1.388 0.051 6 0 "[ . 1 . 2]"
1 189 SER 0.318 0.029 7 0 "[ . 1 . 2]"
1 190 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 191 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 192 PHE 0.011 0.007 5 0 "[ . 1 . 2]"
1 193 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 194 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 195 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 196 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 197 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 200 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 201 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 202 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 THR H 1 61 GLN H 3.300 2.600 3.400 3.257 2.708 3.410 0.010 11 0 "[ . 1 . 2]" 1
2 1 19 TRP H 1 192 PHE H 3.300 2.600 3.400 3.219 2.780 3.407 0.007 5 0 "[ . 1 . 2]" 1
3 1 20 TYR H 1 59 GLY H 3.300 2.600 3.400 3.245 2.888 3.407 0.007 16 0 "[ . 1 . 2]" 1
4 1 21 ALA H 1 190 TYR H 3.300 2.600 3.400 2.796 2.613 3.008 . 0 0 "[ . 1 . 2]" 1
5 1 22 GLY H 1 57 PHE H 3.300 2.600 3.400 3.279 2.890 3.415 0.015 13 0 "[ . 1 . 2]" 1
6 1 23 GLY H 1 188 VAL H 3.300 2.600 3.400 2.970 2.757 3.195 . 0 0 "[ . 1 . 2]" 1
7 1 24 LYS H 1 55 GLY H 3.300 2.600 3.400 3.224 2.863 3.404 0.004 7 0 "[ . 1 . 2]" 1
8 1 25 LEU H 1 186 LEU H 3.300 2.600 3.400 3.025 2.829 3.317 . 0 0 "[ . 1 . 2]" 1
9 1 26 GLY H 1 53 GLY H 3.300 2.600 3.400 3.212 2.919 3.407 0.007 5 0 "[ . 1 . 2]" 1
10 1 27 TRP H 1 184 LEU H 3.300 2.600 4.800 4.696 4.227 4.807 0.007 12 0 "[ . 1 . 2]" 1
11 1 54 ALA H 1 74 TRP H 3.300 2.600 4.800 3.867 3.579 4.086 . 0 0 "[ . 1 . 2]" 1
12 1 56 ALA H 1 72 TYR H 3.300 2.600 3.400 2.796 2.594 3.026 0.006 14 0 "[ . 1 . 2]" 1
13 1 58 GLY H 1 70 MET H 3.300 2.600 3.400 3.033 2.724 3.407 0.007 20 0 "[ . 1 . 2]" 1
14 1 60 TYR H 1 68 PHE H 3.300 2.600 3.400 3.167 2.989 3.411 0.011 14 0 "[ . 1 . 2]" 1
15 1 62 VAL H 1 66 LEU H 3.300 2.600 4.800 4.774 4.309 4.843 0.043 12 0 "[ . 1 . 2]" 1
16 1 69 GLU H 1 97 THR H 3.300 2.600 3.400 3.438 3.419 3.464 0.064 16 0 "[ . 1 . 2]" 1
17 1 71 GLY H 1 95 GLN H 3.300 2.600 3.400 2.992 2.739 3.366 . 0 0 "[ . 1 . 2]" 1
18 1 92 GLN H 1 120 ARG H 3.300 2.600 3.400 3.411 3.405 3.421 0.021 10 0 "[ . 1 . 2]" 1
19 1 94 VAL H 1 118 VAL H 3.300 2.600 3.400 3.414 3.404 3.423 0.023 8 0 "[ . 1 . 2]" 1
20 1 96 LEU H 1 116 GLY H 3.300 2.600 3.400 3.416 3.377 3.432 0.032 18 0 "[ . 1 . 2]" 1
21 1 98 ALA H 1 114 LEU H 3.300 2.600 3.400 2.974 2.852 3.066 . 0 0 "[ . 1 . 2]" 1
22 1 100 LEU H 1 112 THR H 3.300 2.600 3.400 2.726 2.625 2.861 . 0 0 "[ . 1 . 2]" 1
23 1 102 TYR H 1 110 ILE H 3.300 2.600 3.400 2.773 2.569 3.400 0.031 15 0 "[ . 1 . 2]" 1
24 1 104 ILE H 1 108 LEU H 3.300 2.600 3.400 3.440 3.408 3.463 0.063 17 0 "[ . 1 . 2]" 1
25 1 109 ASP H 1 150 GLU H 3.300 2.600 3.400 3.028 2.601 3.296 . 0 0 "[ . 1 . 2]" 1
26 1 111 TYR H 1 148 GLY H 3.300 2.600 3.400 3.396 3.274 3.431 0.031 7 0 "[ . 1 . 2]" 1
27 1 113 ARG H 1 146 ALA H 3.300 2.600 3.400 3.303 3.090 3.403 0.003 9 0 "[ . 1 . 2]" 1
28 1 115 GLY H 1 144 VAL H 3.300 2.600 3.400 3.397 3.270 3.425 0.025 17 0 "[ . 1 . 2]" 1
29 1 117 MET H 1 142 SER H 3.300 2.600 3.400 2.950 2.803 3.122 . 0 0 "[ . 1 . 2]" 1
30 1 121 ALA H 1 138 ASP H 3.300 2.600 4.800 4.570 3.981 4.800 0.000 9 0 "[ . 1 . 2]" 1
31 1 147 GLY H 1 163 TYR H 3.300 2.600 3.400 3.109 2.973 3.227 . 0 0 "[ . 1 . 2]" 1
32 1 149 VAL H 1 161 LEU H 3.300 2.600 3.400 3.092 2.756 3.406 0.006 5 0 "[ . 1 . 2]" 1
33 1 151 TRP H 1 159 THR H 3.300 2.600 3.400 3.223 2.884 3.408 0.008 6 0 "[ . 1 . 2]" 1
34 1 153 VAL H 1 157 ILE H 3.300 2.600 4.800 4.653 4.320 4.837 0.037 4 0 "[ . 1 . 2]" 1
35 1 158 ALA H 1 189 SER H 3.300 2.600 3.400 3.407 3.306 3.429 0.029 7 0 "[ . 1 . 2]" 1
36 1 160 ARG H 1 187 GLY H 3.300 2.600 3.400 3.218 3.034 3.408 0.008 10 0 "[ . 1 . 2]" 1
37 1 162 GLU H 1 185 SER H 3.300 2.600 3.400 3.214 3.053 3.405 0.005 15 0 "[ . 1 . 2]" 1
38 1 86 ASN H 1 126 ASN H 3.300 2.600 4.800 4.527 4.031 4.801 0.001 6 0 "[ . 1 . 2]" 1
39 1 7 ILE H 1 8 PHE H 4.300 . 4.700 3.547 2.002 4.628 . 0 0 "[ . 1 . 2]" 1
40 1 8 PHE H 1 9 VAL H 4.300 . 4.700 3.664 1.998 4.515 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL H 1 10 LEU H 4.300 . 4.700 3.805 1.920 4.623 . 0 0 "[ . 1 . 2]" 1
42 1 10 LEU H 1 11 ASN H 4.300 . 4.700 3.098 1.983 4.583 . 0 0 "[ . 1 . 2]" 1
43 1 11 ASN H 1 12 ALA H 4.300 . 4.700 3.972 2.304 4.640 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA H 1 13 ALA H 4.300 . 4.700 3.680 2.133 4.634 . 0 0 "[ . 1 . 2]" 1
45 1 15 LYS H 1 16 ASP H 4.300 . 4.700 3.531 1.981 4.540 . 0 0 "[ . 1 . 2]" 1
46 1 16 ASP H 1 17 ASN H 4.300 . 4.700 3.680 2.279 4.636 . 0 0 "[ . 1 . 2]" 1
47 1 17 ASN H 1 18 THR H 4.300 . 4.700 4.243 2.366 4.618 . 0 0 "[ . 1 . 2]" 1
48 1 18 THR H 1 19 TRP H 4.300 4.100 4.700 4.390 4.195 4.531 . 0 0 "[ . 1 . 2]" 1
49 1 19 TRP H 1 20 TYR H 4.300 4.100 4.700 4.327 4.180 4.465 . 0 0 "[ . 1 . 2]" 1
50 1 20 TYR H 1 21 ALA H 4.300 4.100 4.700 4.373 4.272 4.475 . 0 0 "[ . 1 . 2]" 1
51 1 21 ALA H 1 22 GLY H 4.300 4.100 4.700 4.357 4.293 4.442 . 0 0 "[ . 1 . 2]" 1
52 1 22 GLY H 1 23 GLY H 4.300 4.100 4.700 4.348 4.286 4.392 . 0 0 "[ . 1 . 2]" 1
53 1 23 GLY H 1 24 LYS H 4.300 4.100 4.700 4.382 4.281 4.438 . 0 0 "[ . 1 . 2]" 1
54 1 24 LYS H 1 25 LEU H 4.300 4.100 4.700 4.446 4.401 4.491 . 0 0 "[ . 1 . 2]" 1
55 1 33 THR H 1 34 GLY H 4.300 . 4.700 3.274 1.997 4.627 . 0 0 "[ . 1 . 2]" 1
56 1 34 GLY H 1 35 PHE H 4.300 . 4.700 3.701 2.197 4.603 . 0 0 "[ . 1 . 2]" 1
57 1 35 PHE H 1 36 TYR H 4.300 . 4.700 3.878 2.336 4.636 . 0 0 "[ . 1 . 2]" 1
58 1 43 ASN H 1 44 ASN H 4.300 . 4.700 3.466 2.023 4.639 . 0 0 "[ . 1 . 2]" 1
59 1 49 ASN H 1 50 ASP H 4.300 . 4.700 4.111 1.991 4.636 . 0 0 "[ . 1 . 2]" 1
60 1 50 ASP H 1 51 GLN H 4.300 . 4.700 4.293 2.649 4.634 . 0 0 "[ . 1 . 2]" 1
61 1 56 ALA H 1 57 PHE H 4.300 4.100 4.700 4.503 4.380 4.573 . 0 0 "[ . 1 . 2]" 1
62 1 57 PHE H 1 58 GLY H 4.300 4.100 4.700 4.334 4.151 4.489 . 0 0 "[ . 1 . 2]" 1
63 1 58 GLY H 1 59 GLY H 4.300 4.100 4.700 4.198 4.091 4.360 0.009 10 0 "[ . 1 . 2]" 1
64 1 59 GLY H 1 60 TYR H 4.300 4.100 4.700 4.438 4.333 4.562 . 0 0 "[ . 1 . 2]" 1
65 1 60 TYR H 1 61 GLN H 4.300 4.100 4.700 4.265 4.092 4.425 0.008 2 0 "[ . 1 . 2]" 1
66 1 67 GLY H 1 68 PHE H 4.300 4.100 4.700 4.463 4.435 4.505 . 0 0 "[ . 1 . 2]" 1
67 1 68 PHE H 1 69 GLU H 4.300 4.100 4.700 4.518 4.318 4.602 . 0 0 "[ . 1 . 2]" 1
68 1 69 GLU H 1 70 MET H 4.300 4.100 4.700 4.291 4.160 4.383 . 0 0 "[ . 1 . 2]" 1
69 1 70 MET H 1 71 GLY H 4.300 4.100 4.700 4.399 4.251 4.500 . 0 0 "[ . 1 . 2]" 1
70 1 84 VAL H 1 85 ASP H 4.300 . 4.700 3.412 2.280 4.462 . 0 0 "[ . 1 . 2]" 1
71 1 85 ASP H 1 86 ASN H 4.300 . 4.700 3.875 2.472 4.494 . 0 0 "[ . 1 . 2]" 1
72 1 86 ASN H 1 87 GLY H 4.300 . 4.700 3.714 2.006 4.635 . 0 0 "[ . 1 . 2]" 1
73 1 87 GLY H 1 88 ALA H 4.300 . 4.700 3.539 2.015 4.568 . 0 0 "[ . 1 . 2]" 1
74 1 95 GLN H 1 96 LEU H 4.300 4.100 4.700 4.494 4.463 4.517 . 0 0 "[ . 1 . 2]" 1
75 1 96 LEU H 1 97 THR H 4.300 4.100 4.700 4.102 4.062 4.252 0.038 9 0 "[ . 1 . 2]" 1
76 1 97 THR H 1 98 ALA H 4.300 4.100 4.700 4.403 4.387 4.421 . 0 0 "[ . 1 . 2]" 1
77 1 98 ALA H 1 99 LYS H 4.300 4.100 4.700 4.442 4.364 4.522 . 0 0 "[ . 1 . 2]" 1
78 1 99 LYS H 1 100 LEU H 4.300 4.100 4.700 4.427 4.359 4.475 . 0 0 "[ . 1 . 2]" 1
79 1 100 LEU H 1 101 GLY H 4.300 4.100 4.700 4.249 4.111 4.329 . 0 0 "[ . 1 . 2]" 1
80 1 101 GLY H 1 102 TYR H 4.300 4.100 4.700 4.392 4.352 4.443 . 0 0 "[ . 1 . 2]" 1
81 1 108 LEU H 1 109 ASP H 4.300 4.100 4.700 4.189 4.070 4.411 0.030 12 0 "[ . 1 . 2]" 1
82 1 109 ASP H 1 110 ILE H 4.300 4.100 4.700 4.441 4.408 4.478 . 0 0 "[ . 1 . 2]" 1
83 1 110 ILE H 1 111 TYR H 4.300 4.100 4.700 4.466 4.247 4.516 . 0 0 "[ . 1 . 2]" 1
84 1 111 TYR H 1 112 THR H 4.300 4.100 4.700 4.364 4.248 4.426 . 0 0 "[ . 1 . 2]" 1
85 1 112 THR H 1 113 ARG H 4.300 4.100 4.700 4.298 4.199 4.432 . 0 0 "[ . 1 . 2]" 1
86 1 113 ARG H 1 114 LEU H 4.300 4.100 4.700 4.391 4.338 4.442 . 0 0 "[ . 1 . 2]" 1
87 1 114 LEU H 1 115 GLY H 4.300 4.100 4.700 4.248 4.195 4.302 . 0 0 "[ . 1 . 2]" 1
88 1 115 GLY H 1 116 GLY H 4.300 4.100 4.700 4.124 4.075 4.201 0.025 5 0 "[ . 1 . 2]" 1
89 1 116 GLY H 1 117 MET H 4.300 4.100 4.700 4.430 4.408 4.452 . 0 0 "[ . 1 . 2]" 1
90 1 119 TRP H 1 120 ARG H 4.300 4.100 4.700 4.422 4.282 4.557 . 0 0 "[ . 1 . 2]" 1
91 1 138 ASP H 1 139 THR H 4.300 4.100 4.700 4.444 4.245 4.607 . 0 0 "[ . 1 . 2]" 1
92 1 147 GLY H 1 148 GLY H 4.300 4.100 4.700 4.357 4.254 4.461 . 0 0 "[ . 1 . 2]" 1
93 1 148 GLY H 1 149 VAL H 4.300 4.100 4.700 4.307 4.219 4.395 . 0 0 "[ . 1 . 2]" 1
94 1 149 VAL H 1 150 GLU H 4.300 4.100 4.700 4.457 4.439 4.473 . 0 0 "[ . 1 . 2]" 1
95 1 150 GLU H 1 151 TRP H 4.300 4.100 4.700 4.382 4.288 4.430 . 0 0 "[ . 1 . 2]" 1
96 1 151 TRP H 1 152 ALA H 4.300 4.100 4.700 4.293 4.154 4.402 . 0 0 "[ . 1 . 2]" 1
97 1 152 ALA H 1 153 VAL H 4.300 4.100 4.700 4.521 4.414 4.576 . 0 0 "[ . 1 . 2]" 1
98 1 158 ALA H 1 159 THR H 4.300 4.100 4.700 4.463 4.414 4.507 . 0 0 "[ . 1 . 2]" 1
99 1 159 THR H 1 160 ARG H 4.300 4.100 4.700 4.489 4.393 4.556 . 0 0 "[ . 1 . 2]" 1
100 1 160 ARG H 1 161 LEU H 4.300 4.100 4.700 4.366 4.251 4.428 . 0 0 "[ . 1 . 2]" 1
101 1 161 LEU H 1 162 GLU H 4.300 4.100 4.700 4.286 4.203 4.387 . 0 0 "[ . 1 . 2]" 1
102 1 162 GLU H 1 163 TYR H 4.300 4.100 4.700 4.494 4.396 4.521 . 0 0 "[ . 1 . 2]" 1
103 1 172 ALA H 1 173 GLY H 4.300 . 4.700 3.855 2.224 4.577 . 0 0 "[ . 1 . 2]" 1
104 1 186 LEU H 1 187 GLY H 4.300 4.100 4.700 4.421 4.360 4.486 . 0 0 "[ . 1 . 2]" 1
105 1 187 GLY H 1 188 VAL H 4.300 4.100 4.700 4.417 4.382 4.444 . 0 0 "[ . 1 . 2]" 1
106 1 188 VAL H 1 189 SER H 4.300 4.100 4.700 4.402 4.373 4.455 . 0 0 "[ . 1 . 2]" 1
107 1 189 SER H 1 190 TYR H 4.300 4.100 4.700 4.420 4.395 4.453 . 0 0 "[ . 1 . 2]" 1
108 1 190 TYR H 1 191 ARG H 4.300 4.100 4.700 4.402 4.362 4.471 . 0 0 "[ . 1 . 2]" 1
109 1 191 ARG H 1 192 PHE H 4.300 4.100 4.700 4.517 4.362 4.613 . 0 0 "[ . 1 . 2]" 1
110 1 192 PHE H 1 193 GLY H 4.300 4.100 4.700 4.337 4.118 4.559 . 0 0 "[ . 1 . 2]" 1
111 1 193 GLY H 1 194 GLN H 4.300 4.100 4.700 4.408 4.231 4.612 . 0 0 "[ . 1 . 2]" 1
112 1 194 GLN H 1 195 GLU H 4.300 . 4.700 3.876 2.245 4.573 . 0 0 "[ . 1 . 2]" 1
113 1 195 GLU H 1 196 ASP H 4.300 . 4.700 4.004 2.147 4.605 . 0 0 "[ . 1 . 2]" 1
114 1 196 ASP H 1 197 ALA H 4.300 . 4.700 3.697 1.999 4.606 . 0 0 "[ . 1 . 2]" 1
115 1 200 VAL H 1 201 VAL H 4.300 . 4.700 3.423 1.914 4.610 . 0 0 "[ . 1 . 2]" 1
116 1 201 VAL H 1 202 ALA H 4.300 . 4.700 3.575 1.994 4.576 . 0 0 "[ . 1 . 2]" 1
117 1 62 VAL H 1 65 TYR H 4.500 2.500 6.500 5.626 5.212 6.505 0.005 8 0 "[ . 1 . 2]" 1
118 1 63 ASN H 1 65 TYR H 4.500 2.500 6.500 4.602 4.073 5.623 . 0 0 "[ . 1 . 2]" 1
119 1 63 ASN H 1 66 LEU H 4.500 2.500 6.500 4.045 3.698 4.484 . 0 0 "[ . 1 . 2]" 1
120 1 65 TYR H 1 67 GLY H 4.500 2.500 6.500 5.973 5.628 6.524 0.024 4 0 "[ . 1 . 2]" 1
121 1 105 THR H 1 107 ASP H 3.800 . 5.800 4.027 2.670 5.820 0.020 12 0 "[ . 1 . 2]" 1
122 1 105 THR H 1 108 LEU H 3.800 . 5.800 3.472 2.803 5.506 . 0 0 "[ . 1 . 2]" 1
123 1 106 ASP H 1 108 LEU H 3.800 . 5.800 3.168 2.411 5.299 . 0 0 "[ . 1 . 2]" 1
124 1 153 VAL H 1 156 ASP H 4.500 2.500 6.500 5.924 5.009 6.502 0.002 14 0 "[ . 1 . 2]" 1
125 1 154 THR H 1 156 ASP H 4.500 2.500 6.500 4.764 3.821 5.907 . 0 0 "[ . 1 . 2]" 1
126 1 154 THR H 1 157 ILE H 4.500 2.500 6.500 3.946 3.509 5.968 . 0 0 "[ . 1 . 2]" 1
127 1 155 ARG H 1 157 ILE H 4.500 2.500 6.500 3.871 2.484 5.627 0.016 10 0 "[ . 1 . 2]" 1
128 1 17 ASN H 1 61 GLN H 5.000 . 8.000 7.111 4.540 7.782 . 0 0 "[ . 1 . 2]" 1
129 1 19 TRP H 1 61 GLN H 5.000 . 8.000 5.176 4.783 5.893 . 0 0 "[ . 1 . 2]" 1
130 1 20 TYR H 1 58 GLY H 5.000 . 8.000 7.284 6.905 7.527 . 0 0 "[ . 1 . 2]" 1
131 1 20 TYR H 1 60 TYR H 5.000 . 8.000 4.964 4.772 5.110 . 0 0 "[ . 1 . 2]" 1
132 1 21 ALA H 1 59 GLY H 5.000 . 8.000 4.899 4.133 5.127 . 0 0 "[ . 1 . 2]" 1
133 1 21 ALA H 1 189 SER H 5.000 . 8.000 6.821 6.553 6.988 . 0 0 "[ . 1 . 2]" 1
134 1 21 ALA H 1 191 ARG H 5.000 . 8.000 5.122 5.089 5.143 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA H 1 192 PHE H 5.000 . 8.000 5.107 4.591 5.821 . 0 0 "[ . 1 . 2]" 1
136 1 22 GLY H 1 190 TYR H 5.000 . 8.000 4.775 4.590 4.941 . 0 0 "[ . 1 . 2]" 1
137 1 23 GLY H 1 55 GLY H 5.000 . 8.000 7.268 6.865 7.584 . 0 0 "[ . 1 . 2]" 1
138 1 23 GLY H 1 189 SER H 5.000 . 8.000 4.933 4.755 5.091 . 0 0 "[ . 1 . 2]" 1
139 1 25 LEU H 1 55 GLY H 5.000 . 8.000 5.014 4.721 5.124 . 0 0 "[ . 1 . 2]" 1
140 1 22 GLY H 1 58 GLY H 5.000 . 8.000 4.924 4.721 5.051 . 0 0 "[ . 1 . 2]" 1
141 1 19 TRP H 1 59 GLY H 5.000 . 8.000 7.506 7.035 7.746 . 0 0 "[ . 1 . 2]" 1
142 1 62 VAL H 1 67 GLY H 5.000 . 8.000 5.363 4.821 5.691 . 0 0 "[ . 1 . 2]" 1
143 1 67 GLY H 1 98 ALA H 5.000 . 8.000 7.364 6.809 7.814 . 0 0 "[ . 1 . 2]" 1
144 1 62 VAL H 1 68 PHE H 5.000 . 8.000 4.454 4.197 4.769 . 0 0 "[ . 1 . 2]" 1
145 1 68 PHE H 1 99 LYS H 5.000 . 8.000 4.589 4.095 4.847 . 0 0 "[ . 1 . 2]" 1
146 1 60 TYR H 1 69 GLU H 5.000 . 8.000 4.986 4.609 5.115 . 0 0 "[ . 1 . 2]" 1
147 1 69 GLU H 1 98 ALA H 5.000 . 8.000 4.622 4.405 4.971 . 0 0 "[ . 1 . 2]" 1
148 1 98 ALA H 1 115 GLY H 5.000 . 8.000 4.720 4.644 4.803 . 0 0 "[ . 1 . 2]" 1
149 1 69 GLU H 1 99 LYS H 5.000 . 8.000 3.466 3.007 4.348 . 0 0 "[ . 1 . 2]" 1
150 1 99 LYS H 1 114 LEU H 5.000 . 8.000 5.043 4.900 5.124 . 0 0 "[ . 1 . 2]" 1
151 1 102 TYR H 1 111 TYR H 5.000 . 8.000 5.050 4.923 5.110 . 0 0 "[ . 1 . 2]" 1
152 1 104 ILE H 1 110 ILE H 5.000 . 8.000 5.156 4.519 5.429 . 0 0 "[ . 1 . 2]" 1
153 1 105 THR H 1 110 ILE H 5.000 . 8.000 7.256 6.768 8.045 0.045 12 0 "[ . 1 . 2]" 1
154 1 110 ILE H 1 150 GLU H 5.000 . 8.000 4.783 4.612 4.978 . 0 0 "[ . 1 . 2]" 1
155 1 111 TYR H 1 149 VAL H 5.000 . 8.000 4.826 4.569 5.002 . 0 0 "[ . 1 . 2]" 1
156 1 101 GLY H 1 112 THR H 5.000 . 8.000 4.763 4.597 4.947 . 0 0 "[ . 1 . 2]" 1
157 1 100 LEU H 1 114 LEU H 5.000 . 8.000 5.087 4.831 5.236 . 0 0 "[ . 1 . 2]" 1
158 1 119 TRP H 1 141 VAL H 5.000 . 8.000 4.735 4.410 4.917 . 0 0 "[ . 1 . 2]" 1
159 1 116 GLY H 1 144 VAL H 5.000 . 8.000 4.327 4.073 4.543 . 0 0 "[ . 1 . 2]" 1
160 1 148 GLY H 1 163 TYR H 5.000 . 8.000 4.442 4.223 4.722 . 0 0 "[ . 1 . 2]" 1
161 1 152 ALA H 1 159 THR H 5.000 . 8.000 4.925 4.468 5.076 . 0 0 "[ . 1 . 2]" 1
162 1 153 VAL H 1 159 THR H 5.000 . 8.000 4.166 3.635 4.422 . 0 0 "[ . 1 . 2]" 1
163 1 154 THR H 1 159 THR H 5.000 . 8.000 6.230 5.670 7.836 . 0 0 "[ . 1 . 2]" 1
164 1 153 VAL H 1 158 ALA H 5.000 . 8.000 4.895 4.633 5.047 . 0 0 "[ . 1 . 2]" 1
165 1 158 ALA H 1 191 ARG H 5.000 . 8.000 5.055 4.664 5.312 . 0 0 "[ . 1 . 2]" 1
166 1 159 THR H 1 189 SER H 5.000 . 8.000 4.868 4.619 5.051 . 0 0 "[ . 1 . 2]" 1
167 1 160 ARG H 1 188 VAL H 5.000 . 8.000 4.756 4.570 4.857 . 0 0 "[ . 1 . 2]" 1
168 1 150 GLU H 1 161 LEU H 5.000 . 8.000 4.995 4.743 5.122 . 0 0 "[ . 1 . 2]" 1
169 1 151 TRP H 1 161 LEU H 5.000 . 8.000 4.935 4.599 5.308 . 0 0 "[ . 1 . 2]" 1
170 1 158 ALA H 1 190 TYR H 5.000 . 8.000 4.980 4.730 5.085 . 0 0 "[ . 1 . 2]" 1
171 1 19 TRP H 1 191 ARG H 5.000 . 8.000 7.356 6.972 7.633 . 0 0 "[ . 1 . 2]" 1
172 1 18 THR H 1 192 PHE H 5.000 . 8.000 7.517 6.807 7.896 . 0 0 "[ . 1 . 2]" 1
173 1 20 TYR H 1 192 PHE H 5.000 . 8.000 4.966 4.433 5.668 . 0 0 "[ . 1 . 2]" 1
174 1 23 GLY H 1 25 LEU MD1 7.000 6.000 10.000 8.389 7.615 8.950 . 0 0 "[ . 1 . 2]" 1
175 1 24 LYS H 1 25 LEU MD1 7.000 6.000 10.000 6.002 5.982 6.166 0.018 16 0 "[ . 1 . 2]" 1
176 1 25 LEU MD1 1 55 GLY H 5.000 3.500 7.000 4.337 3.843 5.111 . 0 0 "[ . 1 . 2]" 1
177 1 25 LEU MD2 1 55 GLY H 7.000 6.000 10.000 5.994 5.978 6.037 0.022 20 0 "[ . 1 . 2]" 1
178 1 25 LEU MD2 1 184 LEU H 7.000 6.000 10.000 8.923 7.997 9.961 . 0 0 "[ . 1 . 2]" 1
179 1 52 LEU MD2 1 53 GLY H 5.000 3.500 7.000 4.818 4.539 5.127 . 0 0 "[ . 1 . 2]" 1
180 1 26 GLY H 1 52 LEU MD2 7.000 6.000 10.000 6.429 5.996 7.184 0.004 3 0 "[ . 1 . 2]" 1
181 1 60 TYR H 1 62 VAL MG1 7.000 6.000 10.000 7.816 7.491 8.160 . 0 0 "[ . 1 . 2]" 1
182 1 60 TYR H 1 62 VAL MG2 5.000 3.500 7.000 5.210 4.843 5.607 . 0 0 "[ . 1 . 2]" 1
183 1 61 GLN H 1 62 VAL MG1 7.000 6.000 10.000 6.295 6.044 6.493 . 0 0 "[ . 1 . 2]" 1
184 1 61 GLN H 1 62 VAL MG2 5.000 3.500 7.000 4.166 3.770 4.641 . 0 0 "[ . 1 . 2]" 1
185 1 62 VAL MG1 1 63 ASN H 5.000 3.500 7.000 3.656 3.490 4.204 0.010 15 0 "[ . 1 . 2]" 1
186 1 62 VAL MG2 1 63 ASN H 5.000 3.500 7.000 3.790 3.616 4.249 . 0 0 "[ . 1 . 2]" 1
187 1 62 VAL MG1 1 65 TYR H 7.000 6.000 10.000 7.100 6.908 7.653 . 0 0 "[ . 1 . 2]" 1
188 1 62 VAL MG2 1 65 TYR H 7.000 6.000 10.000 7.381 7.031 8.159 . 0 0 "[ . 1 . 2]" 1
189 1 62 VAL MG1 1 66 LEU H 7.000 6.000 10.000 6.830 6.612 7.017 . 0 0 "[ . 1 . 2]" 1
190 1 62 VAL MG2 1 66 LEU H 7.000 6.000 10.000 6.626 6.349 6.840 . 0 0 "[ . 1 . 2]" 1
191 1 62 VAL MG1 1 67 GLY H 7.000 6.000 10.000 8.031 7.760 8.363 . 0 0 "[ . 1 . 2]" 1
192 1 62 VAL MG2 1 67 GLY H 5.000 3.500 7.000 6.522 6.268 6.948 . 0 0 "[ . 1 . 2]" 1
193 1 62 VAL MG1 1 68 PHE H 7.000 6.000 10.000 6.355 5.991 6.935 0.009 4 0 "[ . 1 . 2]" 1
194 1 62 VAL MG2 1 68 PHE H 3.000 . 4.500 3.955 3.442 4.512 0.012 14 0 "[ . 1 . 2]" 1
195 1 62 VAL MG1 1 99 LYS H 7.000 6.000 10.000 9.668 9.320 10.007 0.007 20 0 "[ . 1 . 2]" 1
196 1 62 VAL MG2 1 99 LYS H 7.000 6.000 10.000 7.719 7.364 8.167 . 0 0 "[ . 1 . 2]" 1
197 1 60 TYR H 1 66 LEU MD1 7.000 6.000 10.000 7.595 7.194 8.195 . 0 0 "[ . 1 . 2]" 1
198 1 62 VAL H 1 66 LEU MD1 5.000 3.500 7.000 5.625 4.625 6.235 . 0 0 "[ . 1 . 2]" 1
199 1 62 VAL H 1 66 LEU MD2 7.000 6.000 10.000 6.798 6.374 7.064 . 0 0 "[ . 1 . 2]" 1
200 1 63 ASN H 1 66 LEU MD1 5.000 3.500 7.000 5.310 3.826 6.455 . 0 0 "[ . 1 . 2]" 1
201 1 63 ASN H 1 66 LEU MD2 5.000 3.500 7.000 6.083 5.309 6.798 . 0 0 "[ . 1 . 2]" 1
202 1 65 TYR H 1 66 LEU MD1 5.000 3.500 7.000 5.578 4.470 5.920 . 0 0 "[ . 1 . 2]" 1
203 1 65 TYR H 1 66 LEU MD2 5.000 3.500 7.000 4.450 3.479 4.849 0.021 8 0 "[ . 1 . 2]" 1
204 1 66 LEU MD1 1 67 GLY H 3.000 . 4.500 3.344 2.268 3.949 . 0 0 "[ . 1 . 2]" 1
205 1 66 LEU MD2 1 67 GLY H 5.000 3.500 7.000 4.594 3.583 5.341 . 0 0 "[ . 1 . 2]" 1
206 1 66 LEU MD1 1 68 PHE H 5.000 3.500 7.000 5.159 4.563 5.440 . 0 0 "[ . 1 . 2]" 1
207 1 66 LEU MD2 1 68 PHE H 7.000 6.000 10.000 7.341 7.033 7.578 . 0 0 "[ . 1 . 2]" 1
208 1 66 LEU MD1 1 69 GLU H 7.000 6.000 10.000 6.251 5.993 6.740 0.007 11 0 "[ . 1 . 2]" 1
209 1 66 LEU MD1 1 98 ALA H 5.000 3.500 7.000 5.750 5.431 6.164 . 0 0 "[ . 1 . 2]" 1
210 1 66 LEU MD1 1 99 LYS H 3.000 . 4.500 4.416 3.969 4.511 0.011 19 0 "[ . 1 . 2]" 1
211 1 66 LEU MD2 1 99 LYS H 5.000 3.500 7.000 6.281 5.534 6.672 . 0 0 "[ . 1 . 2]" 1
212 1 66 LEU MD1 1 100 LEU H 5.000 3.500 7.000 6.034 5.725 6.232 . 0 0 "[ . 1 . 2]" 1
213 1 66 LEU MD1 1 101 GLY H 7.000 6.000 10.000 7.032 6.678 7.314 . 0 0 "[ . 1 . 2]" 1
214 1 66 LEU MD2 1 101 GLY H 5.000 3.500 7.000 6.524 5.749 7.002 0.002 4 0 "[ . 1 . 2]" 1
215 1 84 VAL MG1 1 85 ASP H 5.000 3.500 7.000 3.999 3.528 4.351 . 0 0 "[ . 1 . 2]" 1
216 1 84 VAL MG2 1 85 ASP H 5.000 3.500 7.000 4.075 3.569 4.303 . 0 0 "[ . 1 . 2]" 1
217 1 84 VAL MG1 1 86 ASN H 7.000 6.000 10.000 6.541 5.995 7.492 0.005 2 0 "[ . 1 . 2]" 1
218 1 84 VAL MG2 1 86 ASN H 7.000 6.000 10.000 6.430 5.993 7.557 0.007 2 0 "[ . 1 . 2]" 1
219 1 71 GLY H 1 94 VAL MG1 5.000 3.500 7.000 5.420 5.218 5.708 . 0 0 "[ . 1 . 2]" 1
220 1 71 GLY H 1 94 VAL MG2 7.000 6.000 10.000 6.643 6.363 7.008 . 0 0 "[ . 1 . 2]" 1
221 1 72 TYR H 1 94 VAL MG1 7.000 6.000 10.000 5.986 5.976 5.994 0.024 13 0 "[ . 1 . 2]" 1
222 1 72 TYR H 1 94 VAL MG2 7.000 6.000 10.000 7.441 7.341 7.501 . 0 0 "[ . 1 . 2]" 1
223 1 73 ASP H 1 94 VAL MG1 5.000 3.500 7.000 4.622 4.384 4.747 . 0 0 "[ . 1 . 2]" 1
224 1 73 ASP H 1 94 VAL MG2 5.000 3.500 7.000 5.177 5.086 5.275 . 0 0 "[ . 1 . 2]" 1
225 1 94 VAL MG1 1 95 GLN H 3.000 . 4.500 3.584 3.395 3.828 . 0 0 "[ . 1 . 2]" 1
226 1 94 VAL MG2 1 95 GLN H 5.000 3.500 7.000 4.360 4.274 4.418 . 0 0 "[ . 1 . 2]" 1
227 1 94 VAL MG1 1 118 VAL H 5.000 3.500 7.000 5.444 5.364 5.550 . 0 0 "[ . 1 . 2]" 1
228 1 94 VAL MG2 1 118 VAL H 5.000 3.500 7.000 3.503 3.477 3.568 0.023 5 0 "[ . 1 . 2]" 1
229 1 69 GLU H 1 96 LEU MD1 7.000 6.000 10.000 5.983 5.966 5.990 0.034 16 0 "[ . 1 . 2]" 1
230 1 69 GLU H 1 96 LEU MD2 7.000 6.000 10.000 5.983 5.974 5.994 0.026 5 0 "[ . 1 . 2]" 1
231 1 70 MET H 1 96 LEU MD1 7.000 6.000 10.000 6.879 6.463 7.302 . 0 0 "[ . 1 . 2]" 1
232 1 70 MET H 1 96 LEU MD2 7.000 6.000 10.000 7.824 7.514 8.105 . 0 0 "[ . 1 . 2]" 1
233 1 71 GLY H 1 96 LEU MD1 7.000 6.000 10.000 6.187 6.005 6.402 . 0 0 "[ . 1 . 2]" 1
234 1 71 GLY H 1 96 LEU MD2 5.000 3.500 7.000 6.687 6.474 6.865 . 0 0 "[ . 1 . 2]" 1
235 1 96 LEU MD1 1 97 THR H 5.000 3.500 7.000 4.498 4.422 4.627 . 0 0 "[ . 1 . 2]" 1
236 1 96 LEU MD2 1 97 THR H 5.000 3.500 7.000 3.960 3.824 4.109 . 0 0 "[ . 1 . 2]" 1
237 1 96 LEU MD1 1 98 ALA H 7.000 6.000 10.000 6.837 6.671 6.996 . 0 0 "[ . 1 . 2]" 1
238 1 96 LEU MD1 1 116 GLY H 5.000 3.500 7.000 5.803 5.723 5.868 . 0 0 "[ . 1 . 2]" 1
239 1 96 LEU MD2 1 116 GLY H 5.000 3.500 7.000 3.498 3.487 3.536 0.013 16 0 "[ . 1 . 2]" 1
240 1 100 LEU MD1 1 112 THR H 5.000 3.500 7.000 3.516 3.490 3.620 0.010 9 0 "[ . 1 . 2]" 1
241 1 100 LEU MD1 1 113 ARG H 7.000 6.000 10.000 6.289 6.023 6.552 . 0 0 "[ . 1 . 2]" 1
242 1 67 GLY H 1 100 LEU MD1 7.000 6.000 10.000 6.111 5.996 6.378 0.004 5 0 "[ . 1 . 2]" 1
243 1 99 LYS H 1 100 LEU MD1 7.000 6.000 10.000 6.962 6.811 7.061 . 0 0 "[ . 1 . 2]" 1
244 1 100 LEU MD1 1 101 GLY H 5.000 3.500 7.000 3.545 3.493 3.657 0.007 16 0 "[ . 1 . 2]" 1
245 1 100 LEU MD1 1 114 LEU H 7.000 6.000 10.000 6.811 6.384 7.136 . 0 0 "[ . 1 . 2]" 1
246 1 100 LEU MD2 1 112 THR H 5.000 3.500 7.000 4.677 4.469 4.959 . 0 0 "[ . 1 . 2]" 1
247 1 100 LEU MD2 1 113 ARG H 7.000 6.000 10.000 6.014 5.983 6.276 0.017 15 0 "[ . 1 . 2]" 1
248 1 65 TYR H 1 100 LEU MD2 7.000 6.000 10.000 7.496 6.885 8.076 . 0 0 "[ . 1 . 2]" 1
249 1 66 LEU H 1 100 LEU MD2 7.000 6.000 10.000 6.524 6.048 6.981 . 0 0 "[ . 1 . 2]" 1
250 1 67 GLY H 1 100 LEU MD2 5.000 3.500 7.000 5.368 5.113 5.723 . 0 0 "[ . 1 . 2]" 1
251 1 98 ALA H 1 100 LEU MD2 7.000 6.000 10.000 6.326 5.997 6.683 0.003 8 0 "[ . 1 . 2]" 1
252 1 99 LYS H 1 100 LEU MD2 5.000 3.500 7.000 5.652 5.377 5.897 . 0 0 "[ . 1 . 2]" 1
253 1 100 LEU MD2 1 101 GLY H 5.000 3.500 7.000 5.236 5.146 5.341 . 0 0 "[ . 1 . 2]" 1
254 1 100 LEU MD2 1 114 LEU H 5.000 3.500 7.000 5.006 4.599 5.339 . 0 0 "[ . 1 . 2]" 1
255 1 102 TYR H 1 104 ILE MD 7.000 6.000 10.000 6.007 5.952 6.219 0.048 8 0 "[ . 1 . 2]" 1
256 1 104 ILE MD 1 105 THR H 5.000 3.500 7.000 4.891 4.161 5.661 . 0 0 "[ . 1 . 2]" 1
257 1 104 ILE MD 1 108 LEU H 7.000 6.000 10.000 6.278 5.943 6.839 0.057 14 0 "[ . 1 . 2]" 1
258 1 104 ILE MD 1 109 ASP H 5.000 3.500 7.000 5.938 5.642 6.336 . 0 0 "[ . 1 . 2]" 1
259 1 104 ILE MD 1 110 ILE H 3.000 . 4.500 4.487 4.320 4.522 0.022 19 0 "[ . 1 . 2]" 1
260 1 104 ILE MD 1 111 TYR H 7.000 6.000 10.000 7.270 6.785 7.596 . 0 0 "[ . 1 . 2]" 1
261 1 104 ILE MD 1 149 VAL H 7.000 6.000 10.000 8.896 8.362 9.237 . 0 0 "[ . 1 . 2]" 1
262 1 104 ILE MD 1 150 GLU H 5.000 3.500 7.000 6.900 6.442 7.021 0.021 14 0 "[ . 1 . 2]" 1
263 1 108 LEU MD1 1 152 ALA H 5.000 3.500 7.000 6.219 5.833 6.860 . 0 0 "[ . 1 . 2]" 1
264 1 108 LEU MD2 1 152 ALA H 5.000 3.500 7.000 3.777 3.491 4.462 0.009 9 0 "[ . 1 . 2]" 1
265 1 108 LEU MD1 1 150 GLU H 5.000 3.500 7.000 7.009 6.894 7.034 0.034 20 0 "[ . 1 . 2]" 1
266 1 108 LEU MD2 1 150 GLU H 7.000 6.000 10.000 6.460 6.191 6.847 . 0 0 "[ . 1 . 2]" 1
267 1 108 LEU MD1 1 110 ILE H 7.000 6.000 10.000 7.229 7.003 7.537 . 0 0 "[ . 1 . 2]" 1
268 1 108 LEU MD2 1 110 ILE H 7.000 6.000 10.000 7.808 7.588 7.894 . 0 0 "[ . 1 . 2]" 1
269 1 104 ILE H 1 108 LEU MD1 5.000 3.500 7.000 4.570 4.244 5.020 . 0 0 "[ . 1 . 2]" 1
270 1 104 ILE H 1 108 LEU MD2 5.000 3.500 7.000 5.431 5.141 5.786 . 0 0 "[ . 1 . 2]" 1
271 1 105 THR H 1 108 LEU MD1 5.000 3.500 7.000 4.005 3.490 6.021 0.010 3 0 "[ . 1 . 2]" 1
272 1 105 THR H 1 108 LEU MD2 5.000 3.500 7.000 5.058 4.317 6.539 . 0 0 "[ . 1 . 2]" 1
273 1 108 LEU MD1 1 109 ASP H 5.000 3.500 7.000 5.294 5.152 5.437 . 0 0 "[ . 1 . 2]" 1
274 1 108 LEU MD2 1 109 ASP H 5.000 3.500 7.000 4.626 4.238 4.809 . 0 0 "[ . 1 . 2]" 1
275 1 108 LEU MD1 1 111 TYR H 7.000 6.000 10.000 9.807 9.639 9.945 . 0 0 "[ . 1 . 2]" 1
276 1 108 LEU MD1 1 149 VAL H 7.000 6.000 10.000 9.605 9.373 9.777 . 0 0 "[ . 1 . 2]" 1
277 1 108 LEU MD1 1 151 TRP H 7.000 6.000 10.000 7.765 7.291 8.031 . 0 0 "[ . 1 . 2]" 1
278 1 108 LEU MD2 1 151 TRP H 7.000 6.000 10.000 6.007 5.976 6.283 0.024 5 0 "[ . 1 . 2]" 1
279 1 102 TYR H 1 110 ILE MD 5.000 3.500 7.000 3.744 3.489 4.930 0.011 12 0 "[ . 1 . 2]" 1
280 1 104 ILE H 1 110 ILE MD 7.000 6.000 10.000 7.483 7.018 7.992 . 0 0 "[ . 1 . 2]" 1
281 1 109 ASP H 1 110 ILE MD 7.000 6.000 10.000 7.257 7.161 7.378 . 0 0 "[ . 1 . 2]" 1
282 1 110 ILE MD 1 111 TYR H 5.000 3.500 7.000 3.723 3.480 4.249 0.020 17 0 "[ . 1 . 2]" 1
283 1 110 ILE MD 1 148 GLY H 5.000 3.500 7.000 5.414 4.839 5.752 . 0 0 "[ . 1 . 2]" 1
284 1 110 ILE MD 1 149 VAL H 5.000 3.500 7.000 6.958 6.691 7.012 0.012 4 0 "[ . 1 . 2]" 1
285 1 110 ILE MD 1 150 GLU H 5.000 3.500 7.000 6.584 6.396 6.881 . 0 0 "[ . 1 . 2]" 1
286 1 110 ILE MD 1 161 LEU H 7.000 6.000 10.000 9.226 8.921 9.375 . 0 0 "[ . 1 . 2]" 1
287 1 98 ALA H 1 114 LEU MD1 7.000 6.000 10.000 5.984 5.964 6.040 0.036 10 0 "[ . 1 . 2]" 1
288 1 98 ALA H 1 114 LEU MD2 5.000 3.500 7.000 3.836 3.752 3.950 . 0 0 "[ . 1 . 2]" 1
289 1 100 LEU H 1 114 LEU MD1 7.000 6.000 10.000 7.488 7.186 7.702 . 0 0 "[ . 1 . 2]" 1
290 1 100 LEU H 1 114 LEU MD2 7.000 6.000 10.000 7.432 7.048 7.699 . 0 0 "[ . 1 . 2]" 1
291 1 112 THR H 1 114 LEU MD1 7.000 6.000 10.000 8.130 7.873 8.418 . 0 0 "[ . 1 . 2]" 1
292 1 114 LEU MD1 1 115 GLY H 5.000 3.500 7.000 4.394 4.314 4.428 . 0 0 "[ . 1 . 2]" 1
293 1 114 LEU MD2 1 115 GLY H 5.000 3.500 7.000 3.485 3.474 3.498 0.026 7 0 "[ . 1 . 2]" 1
294 1 114 LEU MD1 1 144 VAL H 7.000 6.000 10.000 6.121 5.999 6.271 0.001 9 0 "[ . 1 . 2]" 1
295 1 114 LEU MD2 1 144 VAL H 5.000 3.500 7.000 5.537 5.413 5.637 . 0 0 "[ . 1 . 2]" 1
296 1 114 LEU MD1 1 146 ALA H 7.000 6.000 10.000 5.977 5.962 5.989 0.038 10 0 "[ . 1 . 2]" 1
297 1 114 LEU MD2 1 146 ALA H 7.000 6.000 10.000 6.653 6.549 6.716 . 0 0 "[ . 1 . 2]" 1
298 1 113 ARG H 1 114 LEU MD1 7.000 6.000 10.000 6.363 6.153 6.530 . 0 0 "[ . 1 . 2]" 1
299 1 118 VAL MG1 1 119 TRP H 3.000 . 4.500 2.590 2.053 3.067 . 0 0 "[ . 1 . 2]" 1
300 1 118 VAL MG2 1 119 TRP H 5.000 3.500 7.000 4.290 4.174 4.375 . 0 0 "[ . 1 . 2]" 1
301 1 118 VAL MG1 1 141 VAL H 5.000 3.500 7.000 4.776 4.694 4.906 . 0 0 "[ . 1 . 2]" 1
302 1 118 VAL MG2 1 141 VAL H 7.000 6.000 10.000 5.980 5.970 5.992 0.030 1 0 "[ . 1 . 2]" 1
303 1 118 VAL MG1 1 142 SER H 5.000 3.500 7.000 4.774 4.503 4.933 . 0 0 "[ . 1 . 2]" 1
304 1 96 LEU H 1 118 VAL MG1 7.000 6.000 10.000 6.583 6.305 6.878 . 0 0 "[ . 1 . 2]" 1
305 1 96 LEU H 1 118 VAL MG2 5.000 3.500 7.000 3.958 3.596 4.349 . 0 0 "[ . 1 . 2]" 1
306 1 116 GLY H 1 141 VAL MG2 7.000 6.000 10.000 6.361 6.001 6.564 . 0 0 "[ . 1 . 2]" 1
307 1 117 MET H 1 141 VAL MG1 7.000 6.000 10.000 6.103 5.997 6.304 0.003 11 0 "[ . 1 . 2]" 1
308 1 117 MET H 1 141 VAL MG2 5.000 3.500 7.000 3.882 3.707 4.106 . 0 0 "[ . 1 . 2]" 1
309 1 118 VAL H 1 141 VAL MG1 7.000 6.000 10.000 6.920 6.588 7.160 . 0 0 "[ . 1 . 2]" 1
310 1 118 VAL H 1 141 VAL MG2 5.000 3.500 7.000 4.800 4.380 5.137 . 0 0 "[ . 1 . 2]" 1
311 1 119 TRP H 1 141 VAL MG1 5.000 3.500 7.000 5.261 4.698 5.626 . 0 0 "[ . 1 . 2]" 1
312 1 119 TRP H 1 141 VAL MG2 5.000 3.500 7.000 4.741 4.207 5.204 . 0 0 "[ . 1 . 2]" 1
313 1 141 VAL MG1 1 142 SER H 5.000 3.500 7.000 3.975 3.889 4.044 . 0 0 "[ . 1 . 2]" 1
314 1 141 VAL MG2 1 142 SER H 3.000 . 4.500 2.510 2.244 2.708 . 0 0 "[ . 1 . 2]" 1
315 1 141 VAL MG2 1 144 VAL H 7.000 6.000 10.000 6.742 6.272 7.126 . 0 0 "[ . 1 . 2]" 1
316 1 96 LEU H 1 144 VAL MG1 7.000 6.000 10.000 7.145 6.318 7.598 . 0 0 "[ . 1 . 2]" 1
317 1 96 LEU H 1 144 VAL MG2 5.000 3.500 7.000 5.260 4.757 5.550 . 0 0 "[ . 1 . 2]" 1
318 1 97 THR H 1 144 VAL MG1 7.000 6.000 10.000 9.120 8.344 9.467 . 0 0 "[ . 1 . 2]" 1
319 1 97 THR H 1 144 VAL MG2 5.000 3.500 7.000 6.707 6.037 7.005 0.005 1 0 "[ . 1 . 2]" 1
320 1 113 ARG H 1 144 VAL MG2 7.000 6.000 10.000 7.081 6.560 7.431 . 0 0 "[ . 1 . 2]" 1
321 1 114 LEU H 1 144 VAL MG1 7.000 6.000 10.000 8.705 8.279 8.864 . 0 0 "[ . 1 . 2]" 1
322 1 114 LEU H 1 144 VAL MG2 5.000 3.500 7.000 6.526 5.831 6.872 . 0 0 "[ . 1 . 2]" 1
323 1 115 GLY H 1 144 VAL MG1 5.000 3.500 7.000 5.642 5.404 5.736 . 0 0 "[ . 1 . 2]" 1
324 1 115 GLY H 1 144 VAL MG2 3.000 . 4.500 3.754 3.273 3.999 . 0 0 "[ . 1 . 2]" 1
325 1 116 GLY H 1 144 VAL MG1 5.000 3.500 7.000 6.069 5.457 6.453 . 0 0 "[ . 1 . 2]" 1
326 1 116 GLY H 1 144 VAL MG2 3.000 . 4.500 4.159 3.644 4.502 0.002 15 0 "[ . 1 . 2]" 1
327 1 117 MET H 1 144 VAL MG1 3.000 . 4.500 3.881 3.203 4.251 . 0 0 "[ . 1 . 2]" 1
328 1 117 MET H 1 144 VAL MG2 5.000 3.500 7.000 3.502 3.480 3.573 0.020 8 0 "[ . 1 . 2]" 1
329 1 118 VAL H 1 144 VAL MG2 7.000 6.000 10.000 6.057 5.980 6.243 0.020 20 0 "[ . 1 . 2]" 1
330 1 144 VAL MG1 1 145 PHE H 5.000 3.500 7.000 3.659 3.585 3.725 . 0 0 "[ . 1 . 2]" 1
331 1 144 VAL MG2 1 145 PHE H 5.000 3.500 7.000 3.527 3.486 3.684 0.014 3 0 "[ . 1 . 2]" 1
332 1 102 TYR H 1 149 VAL MG1 7.000 6.000 10.000 6.223 6.118 6.393 . 0 0 "[ . 1 . 2]" 1
333 1 104 ILE H 1 149 VAL MG1 7.000 6.000 10.000 7.147 6.819 7.439 . 0 0 "[ . 1 . 2]" 1
334 1 105 THR H 1 149 VAL MG1 7.000 6.000 10.000 8.452 7.807 9.885 . 0 0 "[ . 1 . 2]" 1
335 1 109 ASP H 1 149 VAL MG1 5.000 3.500 7.000 4.897 4.391 5.144 . 0 0 "[ . 1 . 2]" 1
336 1 109 ASP H 1 149 VAL MG2 5.000 3.500 7.000 5.466 4.956 5.893 . 0 0 "[ . 1 . 2]" 1
337 1 110 ILE H 1 149 VAL MG1 5.000 3.500 7.000 4.356 4.088 4.521 . 0 0 "[ . 1 . 2]" 1
338 1 110 ILE H 1 149 VAL MG2 7.000 6.000 10.000 6.531 6.364 6.691 . 0 0 "[ . 1 . 2]" 1
339 1 111 TYR H 1 149 VAL MG1 5.000 3.500 7.000 3.483 3.465 3.497 0.035 10 0 "[ . 1 . 2]" 1
340 1 111 TYR H 1 149 VAL MG2 5.000 3.500 7.000 5.302 5.171 5.415 . 0 0 "[ . 1 . 2]" 1
341 1 148 GLY H 1 149 VAL MG1 5.000 3.500 7.000 4.579 4.384 4.731 . 0 0 "[ . 1 . 2]" 1
342 1 148 GLY H 1 149 VAL MG2 5.000 3.500 7.000 5.463 5.396 5.514 . 0 0 "[ . 1 . 2]" 1
343 1 149 VAL MG1 1 150 GLU H 5.000 3.500 7.000 3.497 3.462 3.583 0.038 4 0 "[ . 1 . 2]" 1
344 1 149 VAL MG2 1 150 GLU H 5.000 3.500 7.000 3.616 3.485 3.918 0.015 16 0 "[ . 1 . 2]" 1
345 1 149 VAL MG1 1 151 TRP H 7.000 6.000 10.000 6.629 6.405 6.800 . 0 0 "[ . 1 . 2]" 1
346 1 149 VAL MG2 1 151 TRP H 5.000 3.500 7.000 5.085 4.859 5.317 . 0 0 "[ . 1 . 2]" 1
347 1 149 VAL MG2 1 152 ALA H 7.000 6.000 10.000 7.638 7.383 7.963 . 0 0 "[ . 1 . 2]" 1
348 1 149 VAL MG2 1 159 THR H 7.000 6.000 10.000 7.574 7.333 7.914 . 0 0 "[ . 1 . 2]" 1
349 1 149 VAL MG1 1 161 LEU H 5.000 3.500 7.000 5.344 5.081 5.650 . 0 0 "[ . 1 . 2]" 1
350 1 149 VAL MG2 1 161 LEU H 3.000 . 4.500 3.134 2.699 3.719 . 0 0 "[ . 1 . 2]" 1
351 1 149 VAL MG1 1 162 GLU H 7.000 6.000 10.000 7.432 7.265 7.564 . 0 0 "[ . 1 . 2]" 1
352 1 149 VAL MG2 1 162 GLU H 5.000 3.500 7.000 5.731 5.572 5.936 . 0 0 "[ . 1 . 2]" 1
353 1 149 VAL MG2 1 163 TYR H 7.000 6.000 10.000 6.047 5.993 6.290 0.007 10 0 "[ . 1 . 2]" 1
354 1 149 VAL MG2 1 187 GLY H 7.000 6.000 10.000 7.398 7.137 7.722 . 0 0 "[ . 1 . 2]" 1
355 1 152 ALA H 1 153 VAL MG1 7.000 6.000 10.000 6.569 6.364 6.803 . 0 0 "[ . 1 . 2]" 1
356 1 152 ALA H 1 153 VAL MG2 5.000 3.500 7.000 4.567 4.233 4.926 . 0 0 "[ . 1 . 2]" 1
357 1 153 VAL MG1 1 154 THR H 3.000 . 4.500 3.172 2.712 4.040 . 0 0 "[ . 1 . 2]" 1
358 1 153 VAL MG2 1 154 THR H 5.000 3.500 7.000 3.762 3.570 4.330 . 0 0 "[ . 1 . 2]" 1
359 1 153 VAL MG1 1 155 ARG H 5.000 3.500 7.000 5.642 5.110 6.080 . 0 0 "[ . 1 . 2]" 1
360 1 153 VAL MG2 1 155 ARG H 7.000 6.000 10.000 6.983 5.980 7.344 0.020 13 0 "[ . 1 . 2]" 1
361 1 153 VAL MG1 1 156 ASP H 7.000 6.000 10.000 6.739 5.979 7.740 0.021 17 0 "[ . 1 . 2]" 1
362 1 153 VAL MG1 1 157 ILE H 5.000 3.500 7.000 5.999 5.322 6.440 . 0 0 "[ . 1 . 2]" 1
363 1 153 VAL MG2 1 157 ILE H 7.000 6.000 10.000 6.158 5.966 6.311 0.034 17 0 "[ . 1 . 2]" 1
364 1 153 VAL MG1 1 158 ALA H 5.000 3.500 7.000 7.015 7.008 7.030 0.030 17 0 "[ . 1 . 2]" 1
365 1 153 VAL MG1 1 159 THR H 7.000 6.000 7.000 5.982 5.972 5.992 0.028 7 0 "[ . 1 . 2]" 1
366 1 151 TRP H 1 153 VAL MG1 7.000 6.000 10.000 7.867 7.601 8.060 . 0 0 "[ . 1 . 2]" 1
367 1 153 VAL H 1 157 ILE MD 7.000 6.000 10.000 6.429 5.997 7.016 0.003 11 0 "[ . 1 . 2]" 1
368 1 154 THR H 1 157 ILE MD 5.000 3.500 7.000 5.341 4.380 7.009 0.009 20 0 "[ . 1 . 2]" 1
369 1 156 ASP H 1 157 ILE MD 5.000 3.500 7.000 4.562 3.923 5.524 . 0 0 "[ . 1 . 2]" 1
370 1 157 ILE MD 1 158 ALA H 5.000 3.500 7.000 5.294 5.038 5.490 . 0 0 "[ . 1 . 2]" 1
371 1 157 ILE MD 1 159 THR H 7.000 6.000 10.000 7.775 7.530 7.993 . 0 0 "[ . 1 . 2]" 1
372 1 157 ILE MD 1 189 SER H 7.000 6.000 10.000 6.937 6.325 7.537 . 0 0 "[ . 1 . 2]" 1
373 1 157 ILE MD 1 191 ARG H 7.000 6.000 10.000 6.834 6.349 8.007 . 0 0 "[ . 1 . 2]" 1
374 1 25 LEU H 1 161 LEU MD1 7.000 6.000 10.000 8.115 7.973 8.252 . 0 0 "[ . 1 . 2]" 1
375 1 147 GLY H 1 161 LEU MD2 7.000 6.000 10.000 6.981 6.694 7.323 . 0 0 "[ . 1 . 2]" 1
376 1 149 VAL H 1 161 LEU MD1 5.000 3.500 7.000 5.327 5.060 5.482 . 0 0 "[ . 1 . 2]" 1
377 1 149 VAL H 1 161 LEU MD2 5.000 3.500 7.000 4.571 4.278 4.822 . 0 0 "[ . 1 . 2]" 1
378 1 160 ARG H 1 161 LEU MD1 7.000 6.000 10.000 6.437 6.114 6.793 . 0 0 "[ . 1 . 2]" 1
379 1 160 ARG H 1 161 LEU MD2 7.000 6.000 10.000 6.624 6.431 6.822 . 0 0 "[ . 1 . 2]" 1
380 1 161 LEU MD1 1 162 GLU H 5.000 3.500 7.000 4.777 4.673 4.892 . 0 0 "[ . 1 . 2]" 1
381 1 161 LEU MD2 1 162 GLU H 3.000 . 4.500 2.506 2.345 2.778 . 0 0 "[ . 1 . 2]" 1
382 1 161 LEU MD1 1 186 LEU H 7.000 6.000 10.000 5.976 5.960 5.993 0.040 20 0 "[ . 1 . 2]" 1
383 1 161 LEU MD1 1 187 GLY H 5.000 3.500 7.000 5.723 5.505 5.910 . 0 0 "[ . 1 . 2]" 1
384 1 163 TYR H 1 184 LEU MD2 5.000 3.500 7.000 5.701 4.924 6.705 . 0 0 "[ . 1 . 2]" 1
385 1 25 LEU H 1 186 LEU MD2 7.000 6.000 10.000 6.007 5.976 6.124 0.024 11 0 "[ . 1 . 2]" 1
386 1 160 ARG H 1 186 LEU MD1 7.000 6.000 10.000 7.306 6.766 7.576 . 0 0 "[ . 1 . 2]" 1
387 1 160 ARG H 1 186 LEU MD2 7.000 6.000 10.000 6.486 6.305 6.775 . 0 0 "[ . 1 . 2]" 1
388 1 161 LEU H 1 186 LEU MD1 7.000 6.000 10.000 7.843 7.683 8.090 . 0 0 "[ . 1 . 2]" 1
389 1 161 LEU H 1 186 LEU MD2 7.000 6.000 10.000 6.359 6.008 6.762 . 0 0 "[ . 1 . 2]" 1
390 1 162 GLU H 1 186 LEU MD1 7.000 6.000 10.000 5.992 5.976 6.035 0.024 1 0 "[ . 1 . 2]" 1
391 1 162 GLU H 1 186 LEU MD2 5.000 3.500 7.000 5.599 5.379 5.819 . 0 0 "[ . 1 . 2]" 1
392 1 186 LEU MD1 1 187 GLY H 5.000 3.500 7.000 4.894 4.343 5.120 . 0 0 "[ . 1 . 2]" 1
393 1 186 LEU MD2 1 187 GLY H 5.000 3.500 7.000 4.809 4.572 5.044 . 0 0 "[ . 1 . 2]" 1
394 1 186 LEU MD1 1 188 VAL H 7.000 6.000 10.000 7.165 6.512 7.465 . 0 0 "[ . 1 . 2]" 1
395 1 186 LEU MD2 1 188 VAL H 7.000 6.000 10.000 7.816 7.688 7.971 . 0 0 "[ . 1 . 2]" 1
396 1 21 ALA H 1 188 VAL MG2 7.000 6.000 10.000 8.285 8.136 8.487 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLY H 1 188 VAL MG2 7.000 6.000 10.000 6.830 6.637 7.001 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLY H 1 188 VAL MG1 5.000 3.500 7.000 5.424 5.331 5.520 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLY H 1 188 VAL MG2 3.000 . 4.500 3.405 3.195 3.553 . 0 0 "[ . 1 . 2]" 1
400 1 24 LYS H 1 188 VAL MG1 7.000 6.000 10.000 7.606 7.522 7.707 . 0 0 "[ . 1 . 2]" 1
401 1 24 LYS H 1 188 VAL MG2 7.000 6.000 10.000 5.965 5.949 5.983 0.051 6 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 188 VAL MG1 7.000 6.000 10.000 6.854 6.699 7.085 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU H 1 188 VAL MG2 7.000 6.000 10.000 6.001 5.986 6.073 0.014 1 0 "[ . 1 . 2]" 1
404 1 57 PHE H 1 188 VAL MG2 7.000 6.000 10.000 7.251 7.056 7.591 . 0 0 "[ . 1 . 2]" 1
405 1 158 ALA H 1 188 VAL MG1 5.000 3.500 7.000 4.735 4.424 4.906 . 0 0 "[ . 1 . 2]" 1
406 1 158 ALA H 1 188 VAL MG2 7.000 6.000 10.000 5.974 5.960 5.987 0.040 7 0 "[ . 1 . 2]" 1
407 1 159 THR H 1 188 VAL MG1 5.000 3.500 7.000 4.191 3.858 4.498 . 0 0 "[ . 1 . 2]" 1
408 1 160 ARG H 1 188 VAL MG1 5.000 3.500 7.000 3.596 3.497 3.937 0.003 1 0 "[ . 1 . 2]" 1
409 1 160 ARG H 1 188 VAL MG2 5.000 3.500 7.000 5.223 5.134 5.384 . 0 0 "[ . 1 . 2]" 1
410 1 187 GLY H 1 188 VAL MG1 5.000 3.500 7.000 4.581 4.413 4.778 . 0 0 "[ . 1 . 2]" 1
411 1 187 GLY H 1 188 VAL MG2 5.000 3.500 7.000 5.216 5.081 5.300 . 0 0 "[ . 1 . 2]" 1
412 1 188 VAL MG1 1 189 SER H 5.000 3.500 7.000 3.519 3.492 3.585 0.008 7 0 "[ . 1 . 2]" 1
413 1 188 VAL MG2 1 189 SER H 5.000 3.500 7.000 4.102 3.977 4.239 . 0 0 "[ . 1 . 2]" 1
414 1 188 VAL MG1 1 190 TYR H 7.000 6.000 10.000 6.894 6.787 6.973 . 0 0 "[ . 1 . 2]" 1
415 1 188 VAL MG2 1 190 TYR H 7.000 6.000 10.000 6.256 6.002 6.519 . 0 0 "[ . 1 . 2]" 1
416 1 62 VAL MG1 1 66 LEU MD1 7.000 6.000 10.000 6.540 5.997 6.969 0.003 4 0 "[ . 1 . 2]" 1
417 1 62 VAL MG1 1 66 LEU MD2 7.000 6.000 10.000 7.550 7.043 7.983 . 0 0 "[ . 1 . 2]" 1
418 1 62 VAL MG2 1 66 LEU MD1 7.000 6.000 10.000 5.995 5.987 6.000 0.013 8 0 "[ . 1 . 2]" 1
419 1 62 VAL MG2 1 66 LEU MD2 7.000 6.000 10.000 7.453 6.889 7.803 . 0 0 "[ . 1 . 2]" 1
420 1 66 LEU MD1 1 100 LEU MD1 7.000 6.000 10.000 6.019 5.992 6.137 0.008 16 0 "[ . 1 . 2]" 1
421 1 66 LEU MD1 1 100 LEU MD2 5.000 3.500 7.000 4.379 4.123 4.604 . 0 0 "[ . 1 . 2]" 1
422 1 66 LEU MD1 1 114 LEU MD1 7.000 6.000 10.000 7.250 7.154 7.351 . 0 0 "[ . 1 . 2]" 1
423 1 66 LEU MD1 1 114 LEU MD2 7.000 6.000 10.000 5.998 5.990 6.078 0.010 19 0 "[ . 1 . 2]" 1
424 1 66 LEU MD2 1 100 LEU MD1 5.000 3.500 7.000 4.969 4.645 5.460 . 0 0 "[ . 1 . 2]" 1
425 1 66 LEU MD2 1 100 LEU MD2 5.000 3.500 7.000 3.679 3.494 4.239 0.006 15 0 "[ . 1 . 2]" 1
426 1 66 LEU MD2 1 114 LEU MD1 7.000 6.000 10.000 7.434 6.893 8.113 . 0 0 "[ . 1 . 2]" 1
427 1 66 LEU MD2 1 114 LEU MD2 7.000 6.000 10.000 6.665 6.035 7.275 . 0 0 "[ . 1 . 2]" 1
428 1 94 VAL MG1 1 96 LEU MD1 7.000 6.000 7.000 6.132 5.993 6.959 0.007 4 0 "[ . 1 . 2]" 1
429 1 94 VAL MG1 1 96 LEU MD2 7.000 6.000 10.000 7.371 7.160 7.833 . 0 0 "[ . 1 . 2]" 1
430 1 94 VAL MG1 1 118 VAL MG1 5.000 3.500 7.000 5.662 5.555 5.739 . 0 0 "[ . 1 . 2]" 1
431 1 94 VAL MG1 1 118 VAL MG2 5.000 3.500 7.000 5.257 5.047 5.448 . 0 0 "[ . 1 . 2]" 1
432 1 94 VAL MG2 1 96 LEU MD1 7.000 6.000 10.000 6.194 5.999 6.711 0.001 1 0 "[ . 1 . 2]" 1
433 1 94 VAL MG2 1 96 LEU MD2 7.000 6.000 10.000 6.911 6.673 7.135 . 0 0 "[ . 1 . 2]" 1
434 1 94 VAL MG2 1 118 VAL MG1 5.000 3.500 7.000 3.495 3.486 3.530 0.014 9 0 "[ . 1 . 2]" 1
435 1 94 VAL MG2 1 118 VAL MG2 5.000 3.500 7.000 3.492 3.473 3.550 0.027 13 0 "[ . 1 . 2]" 1
436 1 96 LEU MD1 1 114 LEU MD2 7.000 6.000 10.000 7.799 7.598 8.047 . 0 0 "[ . 1 . 2]" 1
437 1 96 LEU MD1 1 141 VAL MG2 7.000 6.000 10.000 7.090 6.934 7.378 . 0 0 "[ . 1 . 2]" 1
438 1 96 LEU MD1 1 118 VAL MG1 7.000 6.000 10.000 6.628 6.388 6.885 . 0 0 "[ . 1 . 2]" 1
439 1 96 LEU MD1 1 118 VAL MG2 5.000 3.500 7.000 4.834 4.651 5.113 . 0 0 "[ . 1 . 2]" 1
440 1 96 LEU MD2 1 141 VAL MG1 7.000 6.000 10.000 8.102 8.019 8.223 . 0 0 "[ . 1 . 2]" 1
441 1 96 LEU MD2 1 141 VAL MG2 7.000 6.000 10.000 6.002 5.989 6.080 0.011 8 0 "[ . 1 . 2]" 1
442 1 96 LEU MD2 1 118 VAL MG1 5.000 3.500 7.000 6.468 6.290 6.567 . 0 0 "[ . 1 . 2]" 1
443 1 96 LEU MD2 1 118 VAL MG2 3.000 . 4.500 4.468 4.315 4.517 0.017 7 0 "[ . 1 . 2]" 1
444 1 100 LEU MD1 1 114 LEU MD1 7.000 6.000 10.000 6.597 5.999 7.219 0.001 8 0 "[ . 1 . 2]" 1
445 1 100 LEU MD1 1 114 LEU MD2 7.000 6.000 10.000 7.255 6.701 7.694 . 0 0 "[ . 1 . 2]" 1
446 1 100 LEU MD2 1 114 LEU MD1 5.000 3.500 7.000 4.906 4.296 5.471 . 0 0 "[ . 1 . 2]" 1
447 1 100 LEU MD2 1 114 LEU MD2 5.000 3.500 7.000 5.235 4.667 5.681 . 0 0 "[ . 1 . 2]" 1
448 1 104 ILE MD 1 108 LEU MD1 5.000 3.500 7.000 4.310 4.043 4.663 . 0 0 "[ . 1 . 2]" 1
449 1 104 ILE MD 1 108 LEU MD2 7.000 6.000 10.000 6.145 5.979 6.549 0.021 8 0 "[ . 1 . 2]" 1
450 1 104 ILE MD 1 110 ILE MD 3.000 . 4.500 4.382 3.717 4.504 0.004 8 0 "[ . 1 . 2]" 1
451 1 104 ILE MD 1 149 VAL MG1 5.000 3.500 7.000 4.648 4.139 4.983 . 0 0 "[ . 1 . 2]" 1
452 1 104 ILE MD 1 149 VAL MG2 7.000 6.000 10.000 6.458 5.997 6.796 0.003 17 0 "[ . 1 . 2]" 1
453 1 108 LEU MD1 1 110 ILE MD 7.000 6.000 10.000 8.124 7.717 8.403 . 0 0 "[ . 1 . 2]" 1
454 1 108 LEU MD1 1 149 VAL MG1 7.000 6.000 10.000 5.994 5.980 6.088 0.020 20 0 "[ . 1 . 2]" 1
455 1 108 LEU MD1 1 149 VAL MG2 7.000 6.000 10.000 6.333 6.117 6.520 . 0 0 "[ . 1 . 2]" 1
456 1 108 LEU MD2 1 110 ILE MD 7.000 6.000 10.000 9.117 8.755 9.345 . 0 0 "[ . 1 . 2]" 1
457 1 108 LEU MD2 1 149 VAL MG1 7.000 6.000 10.000 6.541 6.241 6.945 . 0 0 "[ . 1 . 2]" 1
458 1 108 LEU MD2 1 149 VAL MG2 7.000 6.000 10.000 6.280 5.996 6.856 0.004 6 0 "[ . 1 . 2]" 1
459 1 110 ILE MD 1 149 VAL MG1 3.000 . 4.500 3.991 3.848 4.206 . 0 0 "[ . 1 . 2]" 1
460 1 110 ILE MD 1 149 VAL MG2 7.000 6.000 10.000 6.139 5.984 6.330 0.016 15 0 "[ . 1 . 2]" 1
461 1 141 VAL MG2 1 144 VAL MG1 7.000 6.000 10.000 6.065 5.989 6.188 0.011 3 0 "[ . 1 . 2]" 1
462 1 118 VAL MG2 1 144 VAL MG1 7.000 6.000 10.000 6.702 6.169 7.210 . 0 0 "[ . 1 . 2]" 1
463 1 141 VAL MG2 1 144 VAL MG2 7.000 6.000 10.000 6.227 6.000 6.460 0.000 11 0 "[ . 1 . 2]" 1
464 1 118 VAL MG2 1 144 VAL MG2 7.000 6.000 10.000 6.051 5.970 6.240 0.030 3 0 "[ . 1 . 2]" 1
465 1 149 VAL MG1 1 161 LEU MD1 7.000 6.000 10.000 5.985 5.977 5.995 0.023 20 0 "[ . 1 . 2]" 1
466 1 149 VAL MG1 1 161 LEU MD2 7.000 6.000 10.000 5.990 5.983 5.996 0.017 1 0 "[ . 1 . 2]" 1
467 1 149 VAL MG1 1 184 LEU MD2 7.000 6.000 10.000 7.842 7.364 8.470 . 0 0 "[ . 1 . 2]" 1
468 1 149 VAL MG2 1 161 LEU MD1 5.000 3.500 7.000 3.995 3.930 4.128 . 0 0 "[ . 1 . 2]" 1
469 1 149 VAL MG2 1 161 LEU MD2 5.000 3.500 7.000 4.330 4.255 4.458 . 0 0 "[ . 1 . 2]" 1
470 1 149 VAL MG2 1 184 LEU MD2 7.000 6.000 10.000 6.650 6.204 7.350 . 0 0 "[ . 1 . 2]" 1
471 1 153 VAL MG1 1 157 ILE MD 5.000 3.500 7.000 5.594 5.161 6.065 . 0 0 "[ . 1 . 2]" 1
472 1 153 VAL MG2 1 157 ILE MD 7.000 6.000 10.000 6.222 5.990 6.651 0.010 5 0 "[ . 1 . 2]" 1
473 1 161 LEU MD1 1 186 LEU MD1 5.000 3.500 7.000 4.778 4.597 5.021 . 0 0 "[ . 1 . 2]" 1
474 1 161 LEU MD1 1 186 LEU MD2 3.000 . 4.500 2.694 2.563 2.875 . 0 0 "[ . 1 . 2]" 1
475 1 161 LEU MD1 1 184 LEU MD1 7.000 6.000 10.000 6.103 5.993 7.106 0.007 20 0 "[ . 1 . 2]" 1
476 1 161 LEU MD1 1 184 LEU MD2 5.000 3.500 7.000 4.127 3.815 5.323 . 0 0 "[ . 1 . 2]" 1
477 1 161 LEU MD2 1 186 LEU MD1 5.000 3.500 7.000 4.468 4.360 4.651 . 0 0 "[ . 1 . 2]" 1
478 1 161 LEU MD2 1 186 LEU MD2 5.000 3.500 7.000 3.481 3.467 3.492 0.033 20 0 "[ . 1 . 2]" 1
479 1 161 LEU MD2 1 184 LEU MD1 5.000 3.500 7.000 4.791 4.500 5.555 . 0 0 "[ . 1 . 2]" 1
480 1 161 LEU MD2 1 184 LEU MD2 3.000 . 4.500 3.067 2.702 4.001 . 0 0 "[ . 1 . 2]" 1
481 1 186 LEU MD1 1 188 VAL MG1 7.000 6.000 10.000 6.434 6.082 6.603 . 0 0 "[ . 1 . 2]" 1
482 1 184 LEU MD1 1 186 LEU MD1 7.000 6.000 10.000 6.460 5.996 6.981 0.004 20 0 "[ . 1 . 2]" 1
483 1 184 LEU MD2 1 186 LEU MD1 7.000 6.000 10.000 6.045 5.992 6.622 0.008 2 0 "[ . 1 . 2]" 1
484 1 25 LEU MD1 1 186 LEU MD1 5.000 3.500 7.000 5.206 4.655 5.698 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU MD2 1 186 LEU MD1 5.000 3.500 7.000 3.896 3.741 4.106 . 0 0 "[ . 1 . 2]" 1
486 1 186 LEU MD2 1 188 VAL MG1 7.000 6.000 10.000 6.221 5.998 6.639 0.002 13 0 "[ . 1 . 2]" 1
487 1 184 LEU MD1 1 186 LEU MD2 7.000 6.000 10.000 6.474 5.989 7.538 0.011 15 0 "[ . 1 . 2]" 1
488 1 184 LEU MD2 1 186 LEU MD2 5.000 3.500 7.000 5.302 4.680 6.542 . 0 0 "[ . 1 . 2]" 1
489 1 25 LEU MD1 1 186 LEU MD2 7.000 6.000 10.000 7.257 6.756 7.754 . 0 0 "[ . 1 . 2]" 1
490 1 25 LEU MD2 1 186 LEU MD2 7.000 6.000 10.000 5.987 5.979 5.998 0.021 20 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 128
_Distance_constraint_stats_list.Viol_count 732
_Distance_constraint_stats_list.Viol_total 241.567
_Distance_constraint_stats_list.Viol_max 0.077
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0165
_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 20 TYR 0.155 0.015 15 0 "[ . 1 . 2]"
1 21 ALA 0.377 0.033 15 0 "[ . 1 . 2]"
1 22 GLY 0.077 0.014 16 0 "[ . 1 . 2]"
1 23 GLY 0.788 0.066 5 0 "[ . 1 . 2]"
1 24 LYS 0.149 0.020 17 0 "[ . 1 . 2]"
1 25 LEU 0.517 0.051 11 0 "[ . 1 . 2]"
1 26 GLY 0.240 0.020 1 0 "[ . 1 . 2]"
1 53 GLY 0.240 0.020 1 0 "[ . 1 . 2]"
1 54 ALA 0.468 0.034 1 0 "[ . 1 . 2]"
1 55 GLY 0.149 0.020 17 0 "[ . 1 . 2]"
1 56 ALA 0.244 0.040 13 0 "[ . 1 . 2]"
1 57 PHE 0.077 0.014 16 0 "[ . 1 . 2]"
1 58 GLY 0.048 0.016 13 0 "[ . 1 . 2]"
1 59 GLY 0.155 0.015 15 0 "[ . 1 . 2]"
1 60 TYR 0.221 0.025 14 0 "[ . 1 . 2]"
1 67 GLY 0.295 0.038 3 0 "[ . 1 . 2]"
1 68 PHE 0.221 0.025 14 0 "[ . 1 . 2]"
1 69 GLU 0.410 0.031 14 0 "[ . 1 . 2]"
1 70 MET 0.048 0.016 13 0 "[ . 1 . 2]"
1 71 GLY 0.191 0.033 5 0 "[ . 1 . 2]"
1 72 TYR 0.244 0.040 13 0 "[ . 1 . 2]"
1 73 ASP 0.614 0.040 16 0 "[ . 1 . 2]"
1 74 TRP 0.468 0.034 1 0 "[ . 1 . 2]"
1 93 GLY 0.614 0.040 16 0 "[ . 1 . 2]"
1 94 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 95 GLN 0.191 0.033 5 0 "[ . 1 . 2]"
1 96 LEU 0.333 0.026 20 0 "[ . 1 . 2]"
1 97 THR 0.410 0.031 14 0 "[ . 1 . 2]"
1 98 ALA 0.811 0.042 18 0 "[ . 1 . 2]"
1 99 LYS 0.295 0.038 3 0 "[ . 1 . 2]"
1 100 LEU 0.495 0.027 16 0 "[ . 1 . 2]"
1 102 TYR 0.311 0.042 16 0 "[ . 1 . 2]"
1 109 ASP 0.456 0.039 20 0 "[ . 1 . 2]"
1 110 ILE 0.311 0.042 16 0 "[ . 1 . 2]"
1 111 TYR 0.542 0.049 11 0 "[ . 1 . 2]"
1 112 THR 0.495 0.027 16 0 "[ . 1 . 2]"
1 113 ARG 0.424 0.038 10 0 "[ . 1 . 2]"
1 114 LEU 0.811 0.042 18 0 "[ . 1 . 2]"
1 115 GLY 0.145 0.033 20 0 "[ . 1 . 2]"
1 116 GLY 0.333 0.026 20 0 "[ . 1 . 2]"
1 117 MET 0.596 0.043 15 0 "[ . 1 . 2]"
1 118 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 119 TRP 0.059 0.005 10 0 "[ . 1 . 2]"
1 140 GLY 0.059 0.005 10 0 "[ . 1 . 2]"
1 142 SER 0.596 0.043 15 0 "[ . 1 . 2]"
1 144 VAL 0.145 0.033 20 0 "[ . 1 . 2]"
1 146 ALA 0.424 0.038 10 0 "[ . 1 . 2]"
1 147 GLY 0.360 0.028 9 0 "[ . 1 . 2]"
1 148 GLY 0.542 0.049 11 0 "[ . 1 . 2]"
1 149 VAL 1.113 0.077 2 0 "[ . 1 . 2]"
1 150 GLU 0.456 0.039 20 0 "[ . 1 . 2]"
1 151 TRP 0.064 0.012 11 0 "[ . 1 . 2]"
1 158 ALA 0.221 0.030 5 0 "[ . 1 . 2]"
1 159 THR 0.064 0.012 11 0 "[ . 1 . 2]"
1 160 ARG 0.592 0.048 20 0 "[ . 1 . 2]"
1 161 LEU 1.113 0.077 2 0 "[ . 1 . 2]"
1 162 GLU 0.763 0.051 14 0 "[ . 1 . 2]"
1 163 TYR 0.360 0.028 9 0 "[ . 1 . 2]"
1 185 SER 0.763 0.051 14 0 "[ . 1 . 2]"
1 186 LEU 0.517 0.051 11 0 "[ . 1 . 2]"
1 187 GLY 0.592 0.048 20 0 "[ . 1 . 2]"
1 188 VAL 0.788 0.066 5 0 "[ . 1 . 2]"
1 189 SER 0.221 0.030 5 0 "[ . 1 . 2]"
1 190 TYR 0.377 0.033 15 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 20 TYR O 1 59 GLY N 2.900 2.600 3.400 2.811 2.599 2.952 0.001 16 0 "[ . 1 . 2]" 2
2 1 20 TYR O 1 59 GLY H 1.900 . 2.000 1.957 1.683 2.015 0.015 12 0 "[ . 1 . 2]" 2
3 1 20 TYR N 1 59 GLY O 2.900 2.600 3.400 2.896 2.639 2.981 . 0 0 "[ . 1 . 2]" 2
4 1 20 TYR H 1 59 GLY O 1.900 . 2.000 1.966 1.740 2.015 0.015 15 0 "[ . 1 . 2]" 2
5 1 22 GLY O 1 57 PHE N 2.900 2.600 3.400 2.824 2.674 2.956 . 0 0 "[ . 1 . 2]" 2
6 1 22 GLY O 1 57 PHE H 1.900 . 2.000 1.921 1.731 2.003 0.003 12 0 "[ . 1 . 2]" 2
7 1 22 GLY N 1 57 PHE O 2.900 2.600 3.400 2.816 2.639 2.896 . 0 0 "[ . 1 . 2]" 2
8 1 22 GLY H 1 57 PHE O 1.900 . 2.000 1.968 1.816 2.014 0.014 16 0 "[ . 1 . 2]" 2
9 1 24 LYS O 1 55 GLY N 2.900 2.600 3.400 2.876 2.623 2.998 . 0 0 "[ . 1 . 2]" 2
10 1 24 LYS O 1 55 GLY H 1.900 . 2.000 1.964 1.693 2.020 0.020 17 0 "[ . 1 . 2]" 2
11 1 24 LYS N 1 55 GLY O 2.900 2.600 3.400 2.745 2.597 2.906 0.003 1 0 "[ . 1 . 2]" 2
12 1 24 LYS H 1 55 GLY O 1.900 . 2.000 1.792 1.625 2.002 0.002 6 0 "[ . 1 . 2]" 2
13 1 26 GLY O 1 53 GLY N 2.900 2.600 3.400 2.913 2.701 2.981 . 0 0 "[ . 1 . 2]" 2
14 1 26 GLY O 1 53 GLY H 1.900 . 2.000 1.964 1.746 2.009 0.009 12 0 "[ . 1 . 2]" 2
15 1 26 GLY N 1 53 GLY O 2.900 2.600 3.400 2.948 2.770 2.992 . 0 0 "[ . 1 . 2]" 2
16 1 26 GLY H 1 53 GLY O 1.900 . 2.000 1.986 1.811 2.020 0.020 1 0 "[ . 1 . 2]" 2
17 1 54 ALA O 1 74 TRP N 2.900 2.600 3.400 2.811 2.662 2.972 . 0 0 "[ . 1 . 2]" 2
18 1 54 ALA O 1 74 TRP H 1.900 . 2.000 1.968 1.799 2.013 0.013 5 0 "[ . 1 . 2]" 2
19 1 54 ALA N 1 74 TRP O 2.900 2.600 3.400 2.879 2.737 2.942 . 0 0 "[ . 1 . 2]" 2
20 1 54 ALA H 1 74 TRP O 1.900 . 2.000 2.020 2.012 2.034 0.034 1 0 "[ . 1 . 2]" 2
21 1 56 ALA O 1 72 TYR N 2.900 2.600 3.400 2.658 2.586 2.833 0.014 13 0 "[ . 1 . 2]" 2
22 1 56 ALA O 1 72 TYR H 1.900 . 2.000 1.874 1.705 2.006 0.006 11 0 "[ . 1 . 2]" 2
23 1 56 ALA N 1 72 TYR O 2.900 2.600 3.400 2.856 2.754 2.944 . 0 0 "[ . 1 . 2]" 2
24 1 56 ALA H 1 72 TYR O 1.900 . 2.000 2.004 1.928 2.040 0.040 13 0 "[ . 1 . 2]" 2
25 1 58 GLY O 1 70 MET N 2.900 2.600 3.400 2.752 2.600 2.965 . 20 0 "[ . 1 . 2]" 2
26 1 58 GLY O 1 70 MET H 1.900 . 2.000 1.811 1.668 2.016 0.016 13 0 "[ . 1 . 2]" 2
27 1 58 GLY N 1 70 MET O 2.900 2.600 3.400 2.836 2.637 2.958 . 0 0 "[ . 1 . 2]" 2
28 1 58 GLY H 1 70 MET O 1.900 . 2.000 1.932 1.720 2.008 0.008 8 0 "[ . 1 . 2]" 2
29 1 60 TYR O 1 68 PHE N 2.900 2.600 3.400 2.845 2.693 2.990 . 0 0 "[ . 1 . 2]" 2
30 1 60 TYR O 1 68 PHE H 1.900 . 2.000 1.996 1.885 2.025 0.025 14 0 "[ . 1 . 2]" 2
31 1 60 TYR N 1 68 PHE O 2.900 2.600 3.400 2.818 2.596 2.931 0.004 16 0 "[ . 1 . 2]" 2
32 1 60 TYR H 1 68 PHE O 1.900 . 2.000 1.942 1.812 2.017 0.017 20 0 "[ . 1 . 2]" 2
33 1 67 GLY O 1 99 LYS N 2.900 2.600 3.400 2.752 2.588 2.900 0.012 3 0 "[ . 1 . 2]" 2
34 1 67 GLY O 1 99 LYS H 1.900 . 2.000 1.872 1.675 2.011 0.011 17 0 "[ . 1 . 2]" 2
35 1 67 GLY N 1 99 LYS O 2.900 2.600 3.400 2.890 2.647 2.991 . 0 0 "[ . 1 . 2]" 2
36 1 67 GLY H 1 99 LYS O 1.900 . 2.000 1.995 1.821 2.038 0.038 3 0 "[ . 1 . 2]" 2
37 1 69 GLU O 1 97 THR N 2.900 2.600 3.400 2.951 2.897 2.999 . 0 0 "[ . 1 . 2]" 2
38 1 69 GLU O 1 97 THR H 1.900 . 2.000 2.017 2.007 2.031 0.031 14 0 "[ . 1 . 2]" 2
39 1 69 GLU N 1 97 THR O 2.900 2.600 3.400 2.673 2.585 2.980 0.015 5 0 "[ . 1 . 2]" 2
40 1 69 GLU H 1 97 THR O 1.900 . 2.000 1.742 1.653 2.001 0.001 14 0 "[ . 1 . 2]" 2
41 1 71 GLY O 1 95 GLN N 2.900 2.600 3.400 2.637 2.593 2.975 0.007 10 0 "[ . 1 . 2]" 2
42 1 71 GLY O 1 95 GLN H 1.900 . 2.000 1.673 1.625 2.001 0.001 16 0 "[ . 1 . 2]" 2
43 1 71 GLY N 1 95 GLN O 2.900 2.600 3.400 2.914 2.801 2.983 . 0 0 "[ . 1 . 2]" 2
44 1 71 GLY H 1 95 GLN O 1.900 . 2.000 1.998 1.901 2.033 0.033 5 0 "[ . 1 . 2]" 2
45 1 73 ASP O 1 93 GLY N 2.900 2.600 3.400 2.932 2.844 2.999 . 0 0 "[ . 1 . 2]" 2
46 1 73 ASP O 1 93 GLY H 1.900 . 2.000 2.028 2.015 2.040 0.040 16 0 "[ . 1 . 2]" 2
47 1 73 ASP N 1 93 GLY O 2.900 2.600 3.400 2.805 2.621 2.913 . 0 0 "[ . 1 . 2]" 2
48 1 73 ASP H 1 93 GLY O 1.900 . 2.000 1.938 1.758 2.014 0.014 9 0 "[ . 1 . 2]" 2
49 1 94 VAL O 1 118 VAL N 2.900 2.600 3.400 2.767 2.683 2.880 . 0 0 "[ . 1 . 2]" 2
50 1 94 VAL O 1 118 VAL H 1.900 . 2.000 1.845 1.732 1.999 . 0 0 "[ . 1 . 2]" 2
51 1 94 VAL N 1 118 VAL O 2.900 2.600 3.400 2.788 2.630 2.973 . 0 0 "[ . 1 . 2]" 2
52 1 94 VAL H 1 118 VAL O 1.900 . 2.000 1.835 1.678 2.001 0.001 12 0 "[ . 1 . 2]" 2
53 1 96 LEU O 1 116 GLY N 2.900 2.600 3.400 2.992 2.979 3.005 . 0 0 "[ . 1 . 2]" 2
54 1 96 LEU O 1 116 GLY H 1.900 . 2.000 2.014 2.003 2.026 0.026 20 0 "[ . 1 . 2]" 2
55 1 96 LEU N 1 116 GLY O 2.900 2.600 3.400 2.923 2.839 2.979 . 0 0 "[ . 1 . 2]" 2
56 1 96 LEU H 1 116 GLY O 1.900 . 2.000 1.981 1.914 2.021 0.021 5 0 "[ . 1 . 2]" 2
57 1 98 ALA O 1 114 LEU N 2.900 2.600 3.400 2.964 2.910 3.008 . 0 0 "[ . 1 . 2]" 2
58 1 98 ALA O 1 114 LEU H 1.900 . 2.000 2.016 1.961 2.042 0.042 18 0 "[ . 1 . 2]" 2
59 1 98 ALA N 1 114 LEU O 2.900 2.600 3.400 2.998 2.978 3.012 . 0 0 "[ . 1 . 2]" 2
60 1 98 ALA H 1 114 LEU O 1.900 . 2.000 2.022 2.010 2.036 0.036 1 0 "[ . 1 . 2]" 2
61 1 100 LEU O 1 112 THR N 2.900 2.600 3.400 2.911 2.837 2.957 . 0 0 "[ . 1 . 2]" 2
62 1 100 LEU O 1 112 THR H 1.900 . 2.000 2.016 2.002 2.027 0.027 16 0 "[ . 1 . 2]" 2
63 1 100 LEU N 1 112 THR O 2.900 2.600 3.400 2.938 2.804 2.977 . 0 0 "[ . 1 . 2]" 2
64 1 100 LEU H 1 112 THR O 1.900 . 2.000 1.985 1.839 2.022 0.022 7 0 "[ . 1 . 2]" 2
65 1 102 TYR O 1 110 ILE N 2.900 2.600 3.400 2.924 2.719 2.997 . 0 0 "[ . 1 . 2]" 2
66 1 102 TYR O 1 110 ILE H 1.900 . 2.000 1.967 1.769 2.022 0.022 10 0 "[ . 1 . 2]" 2
67 1 102 TYR N 1 110 ILE O 2.900 2.600 3.400 2.855 2.767 2.960 . 0 0 "[ . 1 . 2]" 2
68 1 102 TYR H 1 110 ILE O 1.900 . 2.000 1.992 1.881 2.042 0.042 16 0 "[ . 1 . 2]" 2
69 1 109 ASP O 1 150 GLU N 2.900 2.600 3.400 2.684 2.583 2.947 0.017 20 0 "[ . 1 . 2]" 2
70 1 109 ASP O 1 150 GLU H 1.900 . 2.000 1.736 1.607 2.013 0.013 15 0 "[ . 1 . 2]" 2
71 1 109 ASP N 1 150 GLU O 2.900 2.600 3.400 2.976 2.908 3.018 . 0 0 "[ . 1 . 2]" 2
72 1 109 ASP H 1 150 GLU O 1.900 . 2.000 2.020 2.002 2.039 0.039 20 0 "[ . 1 . 2]" 2
73 1 111 TYR O 1 148 GLY N 2.900 2.600 3.400 2.946 2.864 3.006 . 0 0 "[ . 1 . 2]" 2
74 1 111 TYR O 1 148 GLY H 1.900 . 2.000 1.974 1.886 2.027 0.027 18 0 "[ . 1 . 2]" 2
75 1 111 TYR N 1 148 GLY O 2.900 2.600 3.400 2.996 2.972 3.029 . 0 0 "[ . 1 . 2]" 2
76 1 111 TYR H 1 148 GLY O 1.900 . 2.000 2.023 2.005 2.049 0.049 11 0 "[ . 1 . 2]" 2
77 1 113 ARG O 1 146 ALA N 2.900 2.600 3.400 2.755 2.654 2.919 . 0 0 "[ . 1 . 2]" 2
78 1 113 ARG O 1 146 ALA H 1.900 . 2.000 2.021 2.006 2.038 0.038 10 0 "[ . 1 . 2]" 2
79 1 113 ARG N 1 146 ALA O 2.900 2.600 3.400 2.653 2.593 2.776 0.007 12 0 "[ . 1 . 2]" 2
80 1 113 ARG H 1 146 ALA O 1.900 . 2.000 1.698 1.627 1.821 . 0 0 "[ . 1 . 2]" 2
81 1 115 GLY O 1 144 VAL N 2.900 2.600 3.400 2.825 2.659 2.965 . 0 0 "[ . 1 . 2]" 2
82 1 115 GLY O 1 144 VAL H 1.900 . 2.000 1.893 1.750 2.005 0.005 14 0 "[ . 1 . 2]" 2
83 1 115 GLY N 1 144 VAL O 2.900 2.600 3.400 2.913 2.811 3.006 . 0 0 "[ . 1 . 2]" 2
84 1 115 GLY H 1 144 VAL O 1.900 . 2.000 1.961 1.876 2.033 0.033 20 0 "[ . 1 . 2]" 2
85 1 117 MET O 1 142 SER N 2.900 2.600 3.400 2.974 2.944 2.997 . 0 0 "[ . 1 . 2]" 2
86 1 117 MET O 1 142 SER H 1.900 . 2.000 2.030 2.020 2.043 0.043 15 0 "[ . 1 . 2]" 2
87 1 117 MET N 1 142 SER O 2.900 2.600 3.400 2.773 2.672 2.838 . 0 0 "[ . 1 . 2]" 2
88 1 117 MET H 1 142 SER O 1.900 . 2.000 1.821 1.721 1.897 . 0 0 "[ . 1 . 2]" 2
89 1 119 TRP O 1 140 GLY N 2.900 2.600 3.400 2.783 2.614 2.975 . 0 0 "[ . 1 . 2]" 2
90 1 119 TRP O 1 140 GLY H 1.900 . 2.000 1.908 1.675 2.005 0.005 10 0 "[ . 1 . 2]" 2
91 1 119 TRP N 1 140 GLY O 2.900 2.600 3.400 2.697 2.596 2.957 0.004 17 0 "[ . 1 . 2]" 2
92 1 119 TRP H 1 140 GLY O 1.900 . 2.000 1.785 1.638 2.004 0.004 19 0 "[ . 1 . 2]" 2
93 1 147 GLY O 1 163 TYR N 2.900 2.600 3.400 2.743 2.597 2.971 0.003 10 0 "[ . 1 . 2]" 2
94 1 147 GLY O 1 163 TYR H 1.900 . 2.000 1.820 1.666 2.003 0.003 5 0 "[ . 1 . 2]" 2
95 1 147 GLY N 1 163 TYR O 2.900 2.600 3.400 2.978 2.945 2.999 . 0 0 "[ . 1 . 2]" 2
96 1 147 GLY H 1 163 TYR O 1.900 . 2.000 2.017 2.005 2.028 0.028 9 0 "[ . 1 . 2]" 2
97 1 149 VAL O 1 161 LEU N 2.900 2.600 3.400 2.883 2.700 2.985 . 0 0 "[ . 1 . 2]" 2
98 1 149 VAL O 1 161 LEU H 1.900 . 2.000 1.969 1.725 2.033 0.033 20 0 "[ . 1 . 2]" 2
99 1 149 VAL N 1 161 LEU O 2.900 2.600 3.400 2.932 2.903 2.952 . 0 0 "[ . 1 . 2]" 2
100 1 149 VAL H 1 161 LEU O 1.900 . 2.000 2.051 2.025 2.077 0.077 2 0 "[ . 1 . 2]" 2
101 1 151 TRP O 1 159 THR N 2.900 2.600 3.400 2.830 2.588 2.962 0.012 11 0 "[ . 1 . 2]" 2
102 1 151 TRP O 1 159 THR H 1.900 . 2.000 1.895 1.648 2.012 0.012 17 0 "[ . 1 . 2]" 2
103 1 151 TRP N 1 159 THR O 2.900 2.600 3.400 2.706 2.590 2.926 0.010 6 0 "[ . 1 . 2]" 2
104 1 151 TRP H 1 159 THR O 1.900 . 2.000 1.765 1.623 2.002 0.002 5 0 "[ . 1 . 2]" 2
105 1 158 ALA O 1 189 SER N 2.900 2.600 3.400 2.894 2.731 2.987 . 0 0 "[ . 1 . 2]" 2
106 1 158 ALA O 1 189 SER H 1.900 . 2.000 1.955 1.762 2.016 0.016 4 0 "[ . 1 . 2]" 2
107 1 158 ALA N 1 189 SER O 2.900 2.600 3.400 2.928 2.737 3.006 . 0 0 "[ . 1 . 2]" 2
108 1 158 ALA H 1 189 SER O 1.900 . 2.000 1.974 1.813 2.030 0.030 5 0 "[ . 1 . 2]" 2
109 1 160 ARG O 1 187 GLY N 2.900 2.600 3.400 2.974 2.829 3.023 . 0 0 "[ . 1 . 2]" 2
110 1 160 ARG O 1 187 GLY H 1.900 . 2.000 2.030 2.007 2.048 0.048 20 0 "[ . 1 . 2]" 2
111 1 160 ARG N 1 187 GLY O 2.900 2.600 3.400 2.816 2.688 2.881 . 0 0 "[ . 1 . 2]" 2
112 1 160 ARG H 1 187 GLY O 1.900 . 2.000 1.843 1.714 1.903 . 0 0 "[ . 1 . 2]" 2
113 1 162 GLU O 1 185 SER N 2.900 2.600 3.400 2.922 2.775 3.000 . 0 0 "[ . 1 . 2]" 2
114 1 162 GLU O 1 185 SER H 1.900 . 2.000 1.972 1.840 2.030 0.030 1 0 "[ . 1 . 2]" 2
115 1 162 GLU N 1 185 SER O 2.900 2.600 3.400 2.969 2.902 3.004 . 0 0 "[ . 1 . 2]" 2
116 1 162 GLU H 1 185 SER O 1.900 . 2.000 2.031 2.010 2.051 0.051 14 0 "[ . 1 . 2]" 2
117 1 25 LEU N 1 186 LEU O 2.900 2.600 3.400 2.794 2.632 2.983 . 0 0 "[ . 1 . 2]" 2
118 1 25 LEU H 1 186 LEU O 1.900 . 2.000 1.849 1.675 2.003 0.003 15 0 "[ . 1 . 2]" 2
119 1 25 LEU O 1 186 LEU N 2.900 2.600 3.400 2.939 2.893 2.992 . 0 0 "[ . 1 . 2]" 2
120 1 25 LEU O 1 186 LEU H 1.900 . 2.000 2.026 2.010 2.051 0.051 11 0 "[ . 1 . 2]" 2
121 1 23 GLY N 1 188 VAL O 2.900 2.600 3.400 2.908 2.839 2.945 . 0 0 "[ . 1 . 2]" 2
122 1 23 GLY H 1 188 VAL O 1.900 . 2.000 1.986 1.902 2.010 0.010 2 0 "[ . 1 . 2]" 2
123 1 23 GLY O 1 188 VAL N 2.900 2.600 3.400 2.844 2.803 2.911 . 0 0 "[ . 1 . 2]" 2
124 1 23 GLY O 1 188 VAL H 1.900 . 2.000 2.036 2.017 2.066 0.066 5 0 "[ . 1 . 2]" 2
125 1 21 ALA N 1 190 TYR O 2.900 2.600 3.400 2.971 2.889 3.003 . 0 0 "[ . 1 . 2]" 2
126 1 21 ALA H 1 190 TYR O 1.900 . 2.000 2.018 2.007 2.033 0.033 15 0 "[ . 1 . 2]" 2
127 1 21 ALA O 1 190 TYR N 2.900 2.600 3.400 2.716 2.593 2.899 0.007 12 0 "[ . 1 . 2]" 2
128 1 21 ALA O 1 190 TYR H 1.900 . 2.000 1.777 1.632 1.967 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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