NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
498741 |
2kxi   |
16737 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kxi
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 3
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 67 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 CYS 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 67 CYS SG 1 128 CYS SG 2.000 . 2.100 2.031 2.028 2.037 . 0 0 "[ . 1 . 2]" 1
2 1 67 CYS SG 1 128 CYS CB 3.000 3.000 3.100 3.043 3.018 3.069 . 0 0 "[ . 1 . 2]" 1
3 1 67 CYS CB 1 128 CYS SG 3.000 3.000 3.100 3.042 3.028 3.064 . 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 660
_Distance_constraint_stats_list.Viol_count 1307
_Distance_constraint_stats_list.Viol_total 1593.163
_Distance_constraint_stats_list.Viol_max 0.360
_Distance_constraint_stats_list.Viol_rms 0.0249
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0609
_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 3 ASN 1.456 0.161 2 0 "[ . 1 . 2]"
1 4 PHE 1.277 0.107 10 0 "[ . 1 . 2]"
1 5 LEU 3.187 0.312 8 0 "[ . 1 . 2]"
1 6 TYR 4.602 0.312 8 0 "[ . 1 . 2]"
1 7 ARG 0.189 0.069 10 0 "[ . 1 . 2]"
1 8 GLY 4.117 0.223 11 0 "[ . 1 . 2]"
1 9 ILE 0.638 0.124 11 0 "[ . 1 . 2]"
1 10 SER 0.081 0.054 4 0 "[ . 1 . 2]"
1 11 CYS 2.843 0.256 2 0 "[ . 1 . 2]"
1 12 GLN 0.628 0.188 4 0 "[ . 1 . 2]"
1 13 GLN 2.317 0.256 2 0 "[ . 1 . 2]"
1 14 ASP 0.004 0.004 8 0 "[ . 1 . 2]"
1 15 GLU 1.438 0.360 8 0 "[ . 1 . 2]"
1 16 GLN 0.145 0.106 17 0 "[ . 1 . 2]"
1 17 ASN 0.004 0.004 8 0 "[ . 1 . 2]"
1 18 ASN 0.297 0.138 9 0 "[ . 1 . 2]"
1 19 GLY 0.110 0.106 17 0 "[ . 1 . 2]"
1 20 GLN 0.868 0.155 8 0 "[ . 1 . 2]"
1 21 LEU 1.681 0.360 8 0 "[ . 1 . 2]"
1 22 LYS 0.605 0.181 1 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 2.197 0.248 9 0 "[ . 1 . 2]"
1 29 GLU 0.543 0.116 5 0 "[ . 1 . 2]"
1 30 VAL 1.310 0.248 9 0 "[ . 1 . 2]"
1 31 ALA 0.820 0.134 8 0 "[ . 1 . 2]"
1 32 ILE 1.440 0.134 8 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.964 0.147 1 0 "[ . 1 . 2]"
1 38 PHE 0.571 0.077 6 0 "[ . 1 . 2]"
1 40 TYR 0.425 0.116 2 0 "[ . 1 . 2]"
1 43 LYS 0.441 0.113 14 0 "[ . 1 . 2]"
1 46 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PRO 1.790 0.209 20 0 "[ . 1 . 2]"
1 49 SER 1.790 0.209 20 0 "[ . 1 . 2]"
1 50 VAL 1.263 0.177 7 0 "[ . 1 . 2]"
1 51 LYS 0.043 0.043 5 0 "[ . 1 . 2]"
1 54 VAL 1.225 0.122 14 0 "[ . 1 . 2]"
1 55 TYR 2.648 0.177 7 0 "[ . 1 . 2]"
1 58 GLN 0.397 0.170 18 0 "[ . 1 . 2]"
1 59 ILE 2.698 0.347 14 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.011 0.011 4 0 "[ . 1 . 2]"
1 63 LEU 4.014 0.347 14 0 "[ . 1 . 2]"
1 64 TYR 2.399 0.274 18 0 "[ . 1 . 2]"
1 65 ASP 2.239 0.264 7 0 "[ . 1 . 2]"
1 66 GLY 0.815 0.260 7 0 "[ . 1 . 2]"
1 67 CYS 0.461 0.122 14 0 "[ . 1 . 2]"
1 68 TYR 1.958 0.129 3 0 "[ . 1 . 2]"
1 69 ILE 0.685 0.109 3 0 "[ . 1 . 2]"
1 70 SER 0.549 0.109 3 0 "[ . 1 . 2]"
1 71 THR 0.664 0.101 8 0 "[ . 1 . 2]"
1 72 THR 0.619 0.113 19 0 "[ . 1 . 2]"
1 73 THR 0.657 0.109 16 0 "[ . 1 . 2]"
1 74 ASP 1.549 0.146 14 0 "[ . 1 . 2]"
1 75 LYS 1.020 0.109 16 0 "[ . 1 . 2]"
1 76 GLU 1.199 0.146 14 0 "[ . 1 . 2]"
1 77 ILE 0.780 0.122 3 0 "[ . 1 . 2]"
1 78 ALA 2.193 0.140 1 0 "[ . 1 . 2]"
1 79 LYS 2.097 0.155 9 0 "[ . 1 . 2]"
1 80 LYS 1.759 0.154 9 0 "[ . 1 . 2]"
1 81 PHE 3.461 0.155 9 0 "[ . 1 . 2]"
1 82 ALA 1.409 0.126 13 0 "[ . 1 . 2]"
1 83 THR 2.679 0.212 9 0 "[ . 1 . 2]"
1 84 SER 1.183 0.130 1 0 "[ . 1 . 2]"
1 85 SER 1.113 0.124 4 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 1.762 0.130 1 0 "[ . 1 . 2]"
1 88 GLU 2.390 0.212 9 0 "[ . 1 . 2]"
1 89 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLY 0.091 0.054 4 0 "[ . 1 . 2]"
1 91 TYR 1.093 0.124 11 0 "[ . 1 . 2]"
1 92 ILE 0.857 0.079 16 0 "[ . 1 . 2]"
1 93 TYR 4.349 0.223 11 0 "[ . 1 . 2]"
1 94 VAL 2.423 0.194 10 0 "[ . 1 . 2]"
1 95 LEU 0.907 0.147 6 0 "[ . 1 . 2]"
1 96 ASN 0.156 0.086 6 0 "[ . 1 . 2]"
1 97 ARG 3.177 0.213 11 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 LEU 1.782 0.213 11 0 "[ . 1 . 2]"
1 100 PHE 1.059 0.112 7 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLN 0.345 0.060 11 0 "[ . 1 . 2]"
1 103 TYR 1.438 0.159 10 0 "[ . 1 . 2]"
1 104 SER 0.058 0.035 7 0 "[ . 1 . 2]"
1 105 ILE 1.215 0.112 7 0 "[ . 1 . 2]"
1 106 PHE 1.397 0.117 10 0 "[ . 1 . 2]"
1 107 GLU 0.146 0.060 14 0 "[ . 1 . 2]"
1 108 TYR 1.140 0.163 15 0 "[ . 1 . 2]"
1 109 GLU 0.589 0.138 12 0 "[ . 1 . 2]"
1 110 VAL 2.634 0.173 17 0 "[ . 1 . 2]"
1 111 GLU 1.380 0.141 3 0 "[ . 1 . 2]"
1 112 HIS 3.449 0.173 17 0 "[ . 1 . 2]"
1 113 PRO 0.565 0.118 5 0 "[ . 1 . 2]"
1 114 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASN 4.980 0.314 5 0 "[ . 1 . 2]"
1 116 PRO 0.565 0.118 5 0 "[ . 1 . 2]"
1 117 ASN 4.980 0.314 5 0 "[ . 1 . 2]"
1 118 GLU 0.187 0.095 1 0 "[ . 1 . 2]"
1 119 LYS 0.037 0.019 5 0 "[ . 1 . 2]"
1 120 GLU 0.502 0.064 1 0 "[ . 1 . 2]"
1 121 VAL 0.329 0.081 18 0 "[ . 1 . 2]"
1 122 THR 0.795 0.085 3 0 "[ . 1 . 2]"
1 123 ILE 1.391 0.102 8 0 "[ . 1 . 2]"
1 124 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.169 0.072 2 0 "[ . 1 . 2]"
1 126 GLU 1.434 0.125 16 0 "[ . 1 . 2]"
1 127 ASP 0.250 0.120 3 0 "[ . 1 . 2]"
1 128 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 GLY 0.565 0.097 5 0 "[ . 1 . 2]"
1 130 CYS 0.270 0.076 13 0 "[ . 1 . 2]"
1 131 ILE 1.854 0.125 16 0 "[ . 1 . 2]"
1 132 PRO 0.630 0.120 3 0 "[ . 1 . 2]"
1 133 GLU 0.209 0.093 6 0 "[ . 1 . 2]"
1 134 GLU 0.373 0.080 15 0 "[ . 1 . 2]"
1 135 VAL 1.584 0.159 10 0 "[ . 1 . 2]"
1 136 ILE 1.696 0.181 6 0 "[ . 1 . 2]"
1 137 ILE 4.783 0.181 6 0 "[ . 1 . 2]"
1 138 ALA 2.413 0.147 6 0 "[ . 1 . 2]"
1 139 LYS 1.312 0.170 7 0 "[ . 1 . 2]"
1 140 GLU 1.312 0.170 7 0 "[ . 1 . 2]"
1 141 LEU 3.623 0.172 13 0 "[ . 1 . 2]"
1 142 ILE 3.813 0.172 13 0 "[ . 1 . 2]"
1 143 GLU 0.142 0.107 16 0 "[ . 1 . 2]"
1 144 ILE 1.323 0.150 5 0 "[ . 1 . 2]"
1 145 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 146 LEU 0.415 0.100 4 0 "[ . 1 . 2]"
1 147 GLU 0.415 0.100 4 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 13 GLN HA 1 16 GLN H 3.000 . 4.000 3.633 3.317 3.942 . 0 0 "[ . 1 . 2]" 2
2 1 13 GLN HA 1 16 GLN QB 3.000 . 4.000 2.982 2.441 4.035 0.035 1 0 "[ . 1 . 2]" 2
3 1 21 LEU QD 1 95 LEU MD1 5.000 . 6.000 4.964 4.439 5.497 . 0 0 "[ . 1 . 2]" 2
4 1 21 LEU QD 1 95 LEU MD2 5.000 . 6.000 4.141 3.429 4.935 . 0 0 "[ . 1 . 2]" 2
5 1 31 ALA MB 1 32 ILE HG12 3.000 . 4.000 3.934 3.166 4.134 0.134 8 0 "[ . 1 . 2]" 2
6 1 108 TYR QE 1 110 VAL MG1 3.000 . 4.000 3.469 2.233 4.041 0.041 16 0 "[ . 1 . 2]" 2
7 1 109 GLU HB3 1 121 VAL MG2 3.000 . 4.000 2.672 2.195 3.609 . 0 0 "[ . 1 . 2]" 2
8 1 110 VAL MG2 1 120 GLU HB3 3.000 . 4.000 2.731 1.756 3.918 0.044 20 0 "[ . 1 . 2]" 2
9 1 109 GLU HB2 1 121 VAL QG 3.000 . 4.000 3.169 1.971 4.070 0.070 8 0 "[ . 1 . 2]" 2
10 1 107 GLU HA 1 123 ILE HA 3.000 . 4.000 2.497 1.785 3.083 0.015 9 0 "[ . 1 . 2]" 2
11 1 125 ALA MB 1 131 ILE MD 4.000 . 5.000 3.919 2.284 4.535 . 0 0 "[ . 1 . 2]" 2
12 1 90 GLY H 1 142 ILE H 3.000 . 4.000 3.307 3.003 3.721 . 0 0 "[ . 1 . 2]" 2
13 1 90 GLY H 1 143 GLU HA 3.000 . 4.000 3.668 3.094 3.937 . 0 0 "[ . 1 . 2]" 2
14 1 90 GLY H 1 141 LEU MD2 4.000 . 5.000 4.652 4.084 5.031 0.031 3 0 "[ . 1 . 2]" 2
15 1 91 TYR HA 1 142 ILE H 3.000 . 4.000 3.185 2.559 3.681 . 0 0 "[ . 1 . 2]" 2
16 1 91 TYR HA 1 141 LEU HA 3.000 . 4.000 2.400 2.194 2.703 . 0 0 "[ . 1 . 2]" 2
17 1 91 TYR QD 1 141 LEU QD 3.000 . 4.000 2.547 1.816 3.553 . 0 0 "[ . 1 . 2]" 2
18 1 91 TYR QE 1 141 LEU QD 3.000 . 4.000 3.235 2.348 4.076 0.076 17 0 "[ . 1 . 2]" 2
19 1 92 ILE H 1 141 LEU HA 3.000 . 4.000 3.115 2.602 3.446 . 0 0 "[ . 1 . 2]" 2
20 1 92 ILE H 1 140 GLU H 3.000 . 4.000 3.365 3.016 3.741 . 0 0 "[ . 1 . 2]" 2
21 1 93 TYR HA 1 140 GLU H 3.000 . 4.000 3.167 2.859 3.637 . 0 0 "[ . 1 . 2]" 2
22 1 93 TYR HA 1 139 LYS HA 3.000 . 4.000 2.207 1.897 2.744 . 0 0 "[ . 1 . 2]" 2
23 1 94 VAL H 1 139 LYS HA 3.000 . 4.000 3.290 2.589 3.655 . 0 0 "[ . 1 . 2]" 2
24 1 94 VAL H 1 138 ALA H 3.000 . 4.000 3.250 2.995 3.491 . 0 0 "[ . 1 . 2]" 2
25 1 4 PHE QE 1 138 ALA MB 5.000 . 6.000 5.310 4.230 6.076 0.076 16 0 "[ . 1 . 2]" 2
26 1 95 LEU HA 1 138 ALA H 3.000 . 4.000 3.972 3.821 4.147 0.147 6 0 "[ . 1 . 2]" 2
27 1 93 TYR QD 1 135 VAL QG 4.000 . 5.000 4.702 3.762 5.103 0.103 10 0 "[ . 1 . 2]" 2
28 1 141 LEU HG 1 142 ILE MG 3.000 . 4.000 3.865 3.599 4.035 0.035 17 0 "[ . 1 . 2]" 2
29 1 146 LEU MD2 1 147 GLU QB 3.000 . 4.000 3.560 1.799 4.100 0.100 4 0 "[ . 1 . 2]" 2
30 1 4 PHE HA 1 96 ASN HA 3.000 . 4.000 2.890 2.113 3.717 . 0 0 "[ . 1 . 2]" 2
31 1 64 TYR QE 1 68 TYR QE 5.000 . 6.000 5.104 2.947 6.092 0.092 19 0 "[ . 1 . 2]" 2
32 1 5 LEU HB2 1 6 TYR HA 4.000 . 5.000 4.610 4.264 5.002 0.002 11 0 "[ . 1 . 2]" 2
33 1 5 LEU QD 1 6 TYR HA 4.000 . 5.000 5.089 4.212 5.312 0.312 8 0 "[ . 1 . 2]" 2
34 1 4 PHE HA 1 5 LEU QD 4.000 . 5.000 3.350 2.523 4.543 . 0 0 "[ . 1 . 2]" 2
35 1 4 PHE QD 1 6 TYR QD 4.000 . 5.000 3.471 2.337 4.538 . 0 0 "[ . 1 . 2]" 2
36 1 4 PHE QE 1 6 TYR QE 4.000 . 5.000 3.263 2.103 4.720 . 0 0 "[ . 1 . 2]" 2
37 1 6 TYR HA 1 94 VAL HA 3.000 . 4.000 2.703 2.344 3.145 . 0 0 "[ . 1 . 2]" 2
38 1 7 ARG H 1 94 VAL HA 3.000 . 4.000 3.247 2.882 3.872 . 0 0 "[ . 1 . 2]" 2
39 1 6 TYR QE 1 94 VAL MG1 4.000 2.800 5.000 2.872 2.725 3.420 0.075 1 0 "[ . 1 . 2]" 2
40 1 6 TYR QE 1 94 VAL MG2 4.000 . 5.000 4.228 1.783 5.037 0.037 16 0 "[ . 1 . 2]" 2
41 1 4 PHE QD 1 94 VAL MG1 4.000 . 5.000 3.479 2.067 5.059 0.059 1 0 "[ . 1 . 2]" 2
42 1 4 PHE QD 1 94 VAL MG2 4.000 . 5.000 4.178 3.181 5.084 0.084 6 0 "[ . 1 . 2]" 2
43 1 6 TYR HA 1 94 VAL MG2 4.000 . 5.000 4.774 4.215 5.047 0.047 2 0 "[ . 1 . 2]" 2
44 1 8 GLY HA3 1 82 ALA MB 5.000 3.800 6.000 5.223 4.899 5.594 . 0 0 "[ . 1 . 2]" 2
45 1 8 GLY HA3 1 92 ILE HA 3.000 . 4.000 3.116 2.900 3.729 . 0 0 "[ . 1 . 2]" 2
46 1 8 GLY HA3 1 92 ILE MG 4.000 . 5.000 3.367 1.833 5.043 0.043 2 0 "[ . 1 . 2]" 2
47 1 8 GLY HA2 1 82 ALA MB 5.000 3.800 6.000 6.062 6.005 6.126 0.126 13 0 "[ . 1 . 2]" 2
48 1 9 ILE MD 1 91 TYR QE 4.000 . 5.000 4.428 2.810 5.124 0.124 11 0 "[ . 1 . 2]" 2
49 1 21 LEU QD 1 93 TYR HB2 5.000 . 6.000 4.011 2.838 4.965 . 0 0 "[ . 1 . 2]" 2
50 1 9 ILE MG 1 21 LEU QD 5.000 . 6.000 3.159 2.156 4.379 . 0 0 "[ . 1 . 2]" 2
51 1 9 ILE MD 1 21 LEU QD 5.000 . 6.000 2.332 1.820 4.506 . 0 0 "[ . 1 . 2]" 2
52 1 21 LEU MD1 1 95 LEU HG 5.000 . 6.000 5.486 4.486 6.110 0.110 8 0 "[ . 1 . 2]" 2
53 1 21 LEU QD 1 136 ILE MD 3.000 . 4.000 2.490 1.788 4.002 0.012 1 0 "[ . 1 . 2]" 2
54 1 21 LEU QD 1 136 ILE MG 3.000 . 4.000 3.075 1.987 4.025 0.025 10 0 "[ . 1 . 2]" 2
55 1 32 ILE MG 1 55 TYR QE 5.000 . 6.000 4.018 2.191 5.537 . 0 0 "[ . 1 . 2]" 2
56 1 32 ILE MG 1 55 TYR QD 5.000 . 6.000 4.815 2.638 6.057 0.057 5 0 "[ . 1 . 2]" 2
57 1 32 ILE MD 1 55 TYR QE 5.000 . 6.000 4.279 2.107 5.614 . 0 0 "[ . 1 . 2]" 2
58 1 32 ILE MD 1 55 TYR QD 5.000 . 6.000 5.140 2.573 6.071 0.071 4 0 "[ . 1 . 2]" 2
59 1 32 ILE MG 1 106 PHE QE 5.000 . 6.000 3.894 1.786 5.490 0.014 9 0 "[ . 1 . 2]" 2
60 1 32 ILE MG 1 106 PHE QD 5.000 . 6.000 4.760 1.790 6.064 0.064 3 0 "[ . 1 . 2]" 2
61 1 32 ILE MD 1 106 PHE QE 5.000 . 6.000 3.895 1.913 5.908 . 0 0 "[ . 1 . 2]" 2
62 1 32 ILE MD 1 106 PHE QD 5.000 . 6.000 4.948 2.056 6.107 0.107 20 0 "[ . 1 . 2]" 2
63 1 63 LEU QD 1 64 TYR QE 5.000 . 6.000 4.063 1.917 5.925 . 0 0 "[ . 1 . 2]" 2
64 1 63 LEU QD 1 64 TYR QD 5.000 . 6.000 3.712 2.469 4.900 . 0 0 "[ . 1 . 2]" 2
65 1 63 LEU QD 1 68 TYR QE 5.000 . 6.000 5.123 2.487 6.129 0.129 3 0 "[ . 1 . 2]" 2
66 1 63 LEU QD 1 68 TYR QD 5.000 . 6.000 4.581 2.373 5.995 . 0 0 "[ . 1 . 2]" 2
67 1 59 ILE MD 1 63 LEU QD 5.000 . 6.000 4.982 2.681 6.122 0.122 18 0 "[ . 1 . 2]" 2
68 1 59 ILE MG 1 63 LEU QD 5.000 . 6.000 4.971 1.916 6.347 0.347 14 0 "[ . 1 . 2]" 2
69 1 48 PRO HG3 1 49 SER QB 4.000 . 5.000 5.080 4.961 5.209 0.209 20 0 "[ . 1 . 2]" 2
70 1 50 VAL QG 1 51 LYS QB 4.000 . 5.000 3.304 1.969 4.215 . 0 0 "[ . 1 . 2]" 2
71 1 50 VAL QG 1 51 LYS QD 4.000 . 5.000 3.580 1.803 5.043 0.043 5 0 "[ . 1 . 2]" 2
72 1 68 TYR QB 1 122 THR HB 4.000 . 5.000 4.458 3.481 5.085 0.085 3 0 "[ . 1 . 2]" 2
73 1 68 TYR QB 1 122 THR MG 4.000 . 5.000 2.406 1.961 2.943 . 0 0 "[ . 1 . 2]" 2
74 1 54 VAL QG 1 106 PHE QD 5.000 . 6.000 5.730 5.129 6.050 0.050 18 0 "[ . 1 . 2]" 2
75 1 50 VAL QG 1 106 PHE QD 5.000 . 6.000 5.651 3.376 6.117 0.117 10 0 "[ . 1 . 2]" 2
76 1 54 VAL QG 1 55 TYR QD 4.000 . 5.000 2.644 1.829 3.811 . 0 0 "[ . 1 . 2]" 2
77 1 50 VAL QG 1 55 TYR QD 4.000 . 5.000 4.458 3.323 5.059 0.059 10 0 "[ . 1 . 2]" 2
78 1 54 VAL QG 1 55 TYR QE 4.000 . 5.000 3.589 2.816 4.854 . 0 0 "[ . 1 . 2]" 2
79 1 50 VAL QG 1 55 TYR QE 4.000 . 5.000 4.276 2.553 5.177 0.177 7 0 "[ . 1 . 2]" 2
80 1 68 TYR QD 1 122 THR MG 4.000 . 5.000 3.429 2.780 4.083 . 0 0 "[ . 1 . 2]" 2
81 1 70 SER HA 1 122 THR HA 3.000 . 4.000 2.001 1.767 2.564 0.033 5 0 "[ . 1 . 2]" 2
82 1 70 SER HA 1 122 THR MG 4.000 . 5.000 2.619 1.975 3.187 . 0 0 "[ . 1 . 2]" 2
83 1 72 THR HA 1 120 GLU HA 3.000 . 4.000 2.472 1.966 3.010 . 0 0 "[ . 1 . 2]" 2
84 1 73 THR H 1 120 GLU HA 3.000 . 4.000 3.851 3.231 4.064 0.064 1 0 "[ . 1 . 2]" 2
85 1 72 THR H 1 73 THR HA 5.000 . 6.000 5.450 5.104 5.759 . 0 0 "[ . 1 . 2]" 2
86 1 73 THR HA 1 75 LYS H 5.000 . 6.000 5.929 5.232 6.109 0.109 16 0 "[ . 1 . 2]" 2
87 1 73 THR HA 1 75 LYS HA 6.000 . 7.000 6.341 5.783 6.784 . 0 0 "[ . 1 . 2]" 2
88 1 3 ASN QD 1 75 LYS H 4.000 . 5.000 4.755 3.379 5.098 0.098 3 0 "[ . 1 . 2]" 2
89 1 74 ASP H 1 76 GLU H 4.000 . 5.000 5.025 4.692 5.146 0.146 14 0 "[ . 1 . 2]" 2
90 1 74 ASP H 1 77 ILE H 4.000 . 5.000 4.635 4.113 4.946 . 0 0 "[ . 1 . 2]" 2
91 1 74 ASP H 1 77 ILE HA 5.000 2.800 6.000 5.871 4.968 6.122 0.122 3 0 "[ . 1 . 2]" 2
92 1 77 ILE HA 1 80 LYS QB 3.000 . 4.000 2.501 2.095 2.986 . 0 0 "[ . 1 . 2]" 2
93 1 77 ILE HA 1 80 LYS H 3.000 . 4.000 3.730 3.383 4.051 0.051 2 0 "[ . 1 . 2]" 2
94 1 9 ILE MG 1 91 TYR HB2 4.000 . 5.000 3.326 2.280 4.584 . 0 0 "[ . 1 . 2]" 2
95 1 9 ILE MG 1 91 TYR QE 4.000 . 5.000 4.326 3.202 5.080 0.080 17 0 "[ . 1 . 2]" 2
96 1 8 GLY HA2 1 92 ILE HA 3.000 . 4.000 1.931 1.749 2.505 0.051 3 0 "[ . 1 . 2]" 2
97 1 93 TYR HB2 1 94 VAL MG2 4.000 . 5.000 4.866 4.360 5.194 0.194 10 0 "[ . 1 . 2]" 2
98 1 93 TYR HB2 1 95 LEU MD1 4.000 . 5.000 4.331 2.762 5.130 0.130 20 0 "[ . 1 . 2]" 2
99 1 21 LEU MD1 1 93 TYR QD 4.000 . 5.000 3.224 2.403 4.092 . 0 0 "[ . 1 . 2]" 2
100 1 21 LEU MD2 1 93 TYR QD 4.000 . 5.000 3.979 2.949 4.747 . 0 0 "[ . 1 . 2]" 2
101 1 21 LEU MD1 1 91 TYR QD 5.000 2.800 6.000 5.290 3.922 6.039 0.039 20 0 "[ . 1 . 2]" 2
102 1 21 LEU MD2 1 91 TYR QD 5.000 2.800 6.000 4.505 3.182 5.420 . 0 0 "[ . 1 . 2]" 2
103 1 21 LEU MD1 1 91 TYR QE 5.000 2.800 6.000 5.214 2.957 6.069 0.069 14 0 "[ . 1 . 2]" 2
104 1 21 LEU MD2 1 91 TYR QE 5.000 2.800 6.000 4.465 2.792 6.017 0.017 16 0 "[ . 1 . 2]" 2
105 1 93 TYR QD 1 136 ILE MD 4.000 . 5.000 3.529 1.791 4.911 0.009 7 0 "[ . 1 . 2]" 2
106 1 93 TYR QD 1 136 ILE MG 4.000 . 5.000 2.500 1.878 4.054 . 0 0 "[ . 1 . 2]" 2
107 1 94 VAL MG1 1 137 ILE MD 4.000 . 5.000 4.055 1.986 4.755 . 0 0 "[ . 1 . 2]" 2
108 1 4 PHE QE 1 137 ILE MD 4.000 . 5.000 3.850 1.932 5.036 0.036 9 0 "[ . 1 . 2]" 2
109 1 4 PHE QD 1 137 ILE MD 4.000 . 5.000 3.430 2.722 4.458 . 0 0 "[ . 1 . 2]" 2
110 1 94 VAL MG2 1 137 ILE HB 4.000 . 5.000 4.574 4.018 5.174 0.174 6 0 "[ . 1 . 2]" 2
111 1 100 PHE HA 1 105 ILE MD 4.000 . 5.000 3.546 2.286 4.747 . 0 0 "[ . 1 . 2]" 2
112 1 100 PHE HA 1 105 ILE H 3.000 . 4.000 3.655 3.375 4.112 0.112 7 0 "[ . 1 . 2]" 2
113 1 100 PHE HA 1 104 SER H 4.000 . 5.000 4.164 3.841 4.307 . 0 0 "[ . 1 . 2]" 2
114 1 104 SER H 1 105 ILE H 3.000 . 4.000 2.504 2.405 2.616 . 0 0 "[ . 1 . 2]" 2
115 1 100 PHE QB 1 105 ILE HB 4.000 . 5.000 2.609 1.964 5.030 0.030 7 0 "[ . 1 . 2]" 2
116 1 100 PHE QB 1 105 ILE MG 4.000 . 5.000 2.895 2.182 3.665 . 0 0 "[ . 1 . 2]" 2
117 1 100 PHE QD 1 105 ILE HB 4.000 . 5.000 2.735 2.107 4.065 . 0 0 "[ . 1 . 2]" 2
118 1 105 ILE MG 1 123 ILE MG 4.000 . 5.000 2.273 1.864 4.226 . 0 0 "[ . 1 . 2]" 2
119 1 105 ILE MG 1 125 ALA MB 4.000 . 5.000 3.173 2.608 3.874 . 0 0 "[ . 1 . 2]" 2
120 1 105 ILE MG 1 126 GLU HA 4.000 . 5.000 4.975 4.718 5.067 0.067 18 0 "[ . 1 . 2]" 2
121 1 126 GLU HA 1 127 ASP HA 4.000 . 5.000 4.557 4.400 4.667 . 0 0 "[ . 1 . 2]" 2
122 1 127 ASP HA 1 128 CYS H 3.000 . 4.000 2.347 2.137 2.413 . 0 0 "[ . 1 . 2]" 2
123 1 59 ILE MD 1 108 TYR QD 5.000 . 6.000 4.159 2.883 5.380 . 0 0 "[ . 1 . 2]" 2
124 1 59 ILE MD 1 68 TYR QE 5.000 . 6.000 5.223 2.401 6.079 0.079 17 0 "[ . 1 . 2]" 2
125 1 130 CYS HA 1 132 PRO QD 3.000 . 4.000 2.707 2.421 3.189 . 0 0 "[ . 1 . 2]" 2
126 1 130 CYS H 1 131 ILE H 3.000 . 4.000 3.128 3.018 3.318 . 0 0 "[ . 1 . 2]" 2
127 1 130 CYS H 1 132 PRO QD 4.000 . 5.000 4.524 4.231 4.890 . 0 0 "[ . 1 . 2]" 2
128 1 109 GLU HA 1 110 VAL MG1 4.000 . 5.000 3.514 3.382 3.667 . 0 0 "[ . 1 . 2]" 2
129 1 110 VAL MG2 1 111 GLU HA 4.000 . 5.000 3.646 3.026 4.055 . 0 0 "[ . 1 . 2]" 2
130 1 111 GLU HA 1 119 LYS HA 4.000 . 5.000 2.424 1.976 3.113 . 0 0 "[ . 1 . 2]" 2
131 1 110 VAL MG2 1 112 HIS HA 4.000 . 5.000 4.541 3.665 5.055 0.055 18 0 "[ . 1 . 2]" 2
132 1 110 VAL MG2 1 112 HIS HB2 4.000 . 5.000 5.093 5.052 5.173 0.173 17 0 "[ . 1 . 2]" 2
133 1 111 GLU HB2 1 112 HIS HB2 4.000 . 5.000 5.063 4.943 5.141 0.141 3 0 "[ . 1 . 2]" 2
134 1 111 GLU HB2 1 119 LYS QG 4.000 . 5.000 3.687 2.418 5.019 0.019 5 0 "[ . 1 . 2]" 2
135 1 71 THR MG 1 121 VAL HB 4.000 . 5.000 3.870 2.018 5.081 0.081 18 0 "[ . 1 . 2]" 2
136 1 109 GLU HA 1 121 VAL MG1 4.000 . 5.000 3.565 2.362 4.856 . 0 0 "[ . 1 . 2]" 2
137 1 122 THR MG 1 123 ILE MD 4.000 . 5.000 4.810 4.124 5.068 0.068 9 0 "[ . 1 . 2]" 2
138 1 105 ILE MG 1 123 ILE MD 4.000 . 5.000 4.331 3.146 5.036 0.036 12 0 "[ . 1 . 2]" 2
139 1 107 GLU HA 1 123 ILE MG 4.000 . 5.000 3.630 2.948 4.233 . 0 0 "[ . 1 . 2]" 2
140 1 107 GLU HB2 1 123 ILE MG 4.000 . 5.000 4.524 3.438 5.060 0.060 14 0 "[ . 1 . 2]" 2
141 1 125 ALA HA 1 131 ILE MD 5.000 . 6.000 5.057 2.260 5.623 . 0 0 "[ . 1 . 2]" 2
142 1 125 ALA HA 1 126 GLU H 3.000 . 4.000 2.352 2.194 2.437 . 0 0 "[ . 1 . 2]" 2
143 1 106 PHE H 1 125 ALA HA 3.000 . 4.000 3.623 3.390 4.011 0.011 7 0 "[ . 1 . 2]" 2
144 1 105 ILE HA 1 125 ALA HA 4.000 . 5.000 4.204 3.797 4.564 . 0 0 "[ . 1 . 2]" 2
145 1 105 ILE HA 1 126 GLU H 4.000 . 5.000 4.375 3.606 4.855 . 0 0 "[ . 1 . 2]" 2
146 1 106 PHE H 1 126 GLU H 4.000 . 5.000 4.546 3.899 5.013 0.013 4 0 "[ . 1 . 2]" 2
147 1 68 TYR HA 1 125 ALA H 3.000 . 4.000 3.324 2.928 3.783 . 0 0 "[ . 1 . 2]" 2
148 1 69 ILE H 1 125 ALA H 4.000 . 5.000 4.156 3.677 4.793 . 0 0 "[ . 1 . 2]" 2
149 1 125 ALA MB 1 126 GLU QB 4.000 . 5.000 4.095 3.671 4.972 . 0 0 "[ . 1 . 2]" 2
150 1 131 ILE MG 1 132 PRO HD2 4.000 . 5.000 3.055 2.610 4.836 . 0 0 "[ . 1 . 2]" 2
151 1 131 ILE HA 1 132 PRO QD 3.000 . 4.000 3.603 3.551 3.649 . 0 0 "[ . 1 . 2]" 2
152 1 131 ILE HA 1 133 GLU H 5.000 . 6.000 5.576 5.174 6.007 0.007 8 0 "[ . 1 . 2]" 2
153 1 131 ILE HA 1 132 PRO HA 4.000 . 5.000 4.724 4.669 4.828 . 0 0 "[ . 1 . 2]" 2
154 1 131 ILE H 1 132 PRO QD 3.000 . 4.000 2.446 2.131 2.799 . 0 0 "[ . 1 . 2]" 2
155 1 126 GLU H 1 132 PRO QD 4.000 . 5.000 4.425 3.921 5.038 0.038 18 0 "[ . 1 . 2]" 2
156 1 127 ASP H 1 132 PRO QD 4.000 . 5.000 4.715 4.307 5.120 0.120 3 0 "[ . 1 . 2]" 2
157 1 135 VAL HA 1 137 ILE H 4.000 . 5.000 4.788 4.586 5.009 0.009 6 0 "[ . 1 . 2]" 2
158 1 135 VAL HA 1 137 ILE HA 5.000 . 6.000 5.668 5.237 6.063 0.063 6 0 "[ . 1 . 2]" 2
159 1 134 GLU HA 1 137 ILE HA 5.000 . 6.000 5.711 4.552 6.080 0.080 15 0 "[ . 1 . 2]" 2
160 1 94 VAL MG2 1 137 ILE HG13 4.000 . 5.000 2.512 1.818 3.793 . 0 0 "[ . 1 . 2]" 2
161 1 141 LEU HG 1 142 ILE HB 4.000 . 5.000 5.096 5.057 5.172 0.172 13 0 "[ . 1 . 2]" 2
162 1 141 LEU MD2 1 142 ILE HG13 4.000 . 5.000 5.073 5.031 5.123 0.123 13 0 "[ . 1 . 2]" 2
163 1 55 TYR QE 1 68 TYR QE 5.000 . 6.000 3.927 2.099 5.654 . 0 0 "[ . 1 . 2]" 2
164 1 55 TYR QD 1 68 TYR QD 5.000 . 6.000 5.410 4.727 6.022 0.022 15 0 "[ . 1 . 2]" 2
165 1 64 TYR QD 1 68 TYR QD 5.000 . 6.000 4.156 1.763 6.115 0.115 14 0 "[ . 1 . 2]" 2
166 1 55 TYR QE 1 106 PHE QE 5.000 . 6.000 3.918 2.476 5.101 . 0 0 "[ . 1 . 2]" 2
167 1 55 TYR QD 1 106 PHE QD 5.000 . 6.000 5.312 3.977 6.055 0.055 11 0 "[ . 1 . 2]" 2
168 1 55 TYR QE 1 108 TYR QE 5.000 . 6.000 5.369 2.245 6.077 0.077 10 0 "[ . 1 . 2]" 2
169 1 55 TYR QD 1 108 TYR QD 5.000 . 6.000 5.296 4.361 6.056 0.056 15 0 "[ . 1 . 2]" 2
170 1 34 TYR QE 1 55 TYR QE 5.000 . 6.000 4.241 2.437 6.055 0.055 19 0 "[ . 1 . 2]" 2
171 1 34 TYR QD 1 55 TYR QD 5.000 . 6.000 4.805 3.041 6.147 0.147 1 0 "[ . 1 . 2]" 2
172 1 34 TYR QE 1 38 PHE QE 5.000 . 6.000 3.853 1.887 6.062 0.062 11 0 "[ . 1 . 2]" 2
173 1 34 TYR QD 1 38 PHE QD 5.000 . 6.000 3.267 1.895 4.921 . 0 0 "[ . 1 . 2]" 2
174 1 38 PHE QE 1 55 TYR QE 5.000 . 6.000 3.656 2.156 5.428 . 0 0 "[ . 1 . 2]" 2
175 1 38 PHE QD 1 55 TYR QD 5.000 . 6.000 5.020 2.900 6.048 0.048 3 0 "[ . 1 . 2]" 2
176 1 38 PHE QE 1 108 TYR QE 5.000 . 6.000 3.989 2.027 6.029 0.029 18 0 "[ . 1 . 2]" 2
177 1 38 PHE QD 1 108 TYR QD 5.000 . 6.000 4.891 2.881 6.034 0.034 9 0 "[ . 1 . 2]" 2
178 1 34 TYR QE 1 108 TYR QE 5.000 . 6.000 4.294 2.511 6.004 0.004 15 0 "[ . 1 . 2]" 2
179 1 34 TYR QD 1 108 TYR QD 5.000 . 6.000 5.622 4.553 6.060 0.060 16 0 "[ . 1 . 2]" 2
180 1 38 PHE QE 1 106 PHE QE 5.000 . 6.000 4.974 2.160 6.077 0.077 6 0 "[ . 1 . 2]" 2
181 1 38 PHE QD 1 106 PHE QD 5.000 . 6.000 4.723 2.704 5.877 . 0 0 "[ . 1 . 2]" 2
182 1 34 TYR QE 1 40 TYR QE 5.000 . 6.000 4.877 3.881 6.060 0.060 18 0 "[ . 1 . 2]" 2
183 1 34 TYR QD 1 40 TYR QD 5.000 . 6.000 4.404 2.550 6.001 0.001 14 0 "[ . 1 . 2]" 2
184 1 40 TYR QE 1 106 PHE QE 5.000 . 6.000 3.594 2.344 5.923 . 0 0 "[ . 1 . 2]" 2
185 1 40 TYR QD 1 106 PHE QD 5.000 . 6.000 4.619 3.446 5.865 . 0 0 "[ . 1 . 2]" 2
186 1 40 TYR QE 1 55 TYR QE 5.000 . 6.000 3.103 1.763 4.986 0.037 5 0 "[ . 1 . 2]" 2
187 1 40 TYR QD 1 55 TYR QD 5.000 . 6.000 5.254 2.743 6.116 0.116 2 0 "[ . 1 . 2]" 2
188 1 4 PHE HA 1 5 LEU HG 5.000 . 6.000 4.298 2.969 5.782 . 0 0 "[ . 1 . 2]" 2
189 1 6 TYR HA 1 95 LEU HG 5.000 . 6.000 5.504 3.157 6.089 0.089 20 0 "[ . 1 . 2]" 2
190 1 8 GLY QA 1 92 ILE MG 5.000 . 6.000 2.907 1.792 4.268 0.008 17 0 "[ . 1 . 2]" 2
191 1 20 GLN QB 1 21 LEU MD2 5.000 . 6.000 5.008 2.763 6.155 0.155 8 0 "[ . 1 . 2]" 2
192 1 21 LEU QD 1 93 TYR HB3 5.000 . 6.000 3.748 2.649 4.838 . 0 0 "[ . 1 . 2]" 2
193 1 28 ALA MB 1 29 GLU HB3 5.000 . 6.000 5.043 4.055 6.080 0.080 3 0 "[ . 1 . 2]" 2
194 1 32 ILE MG 1 40 TYR QE 5.000 . 6.000 3.544 2.224 6.066 0.066 11 0 "[ . 1 . 2]" 2
195 1 48 PRO QD 1 49 SER HA 5.000 . 6.000 5.273 4.725 6.080 0.080 2 0 "[ . 1 . 2]" 2
196 1 54 VAL QG 1 58 GLN HB2 5.000 . 6.000 3.315 2.506 4.205 . 0 0 "[ . 1 . 2]" 2
197 1 54 VAL MG2 1 58 GLN HG3 5.000 . 6.000 5.157 3.392 6.039 0.039 1 0 "[ . 1 . 2]" 2
198 1 58 GLN HG3 1 59 ILE HA 5.000 . 6.000 4.450 3.199 6.170 0.170 18 0 "[ . 1 . 2]" 2
199 1 58 GLN HG3 1 59 ILE HG13 5.000 . 6.000 4.883 1.798 6.044 0.044 15 0 "[ . 1 . 2]" 2
200 1 58 GLN QB 1 59 ILE MD 5.000 . 6.000 4.003 2.054 5.170 . 0 0 "[ . 1 . 2]" 2
201 1 58 GLN HB2 1 59 ILE QG 5.000 . 6.000 4.692 3.168 6.061 0.061 15 0 "[ . 1 . 2]" 2
202 1 59 ILE MG 1 60 GLU HA 5.000 . 6.000 3.319 2.869 3.729 . 0 0 "[ . 1 . 2]" 2
203 1 60 GLU HB3 1 61 THR MG 5.000 . 6.000 4.832 3.054 5.721 . 0 0 "[ . 1 . 2]" 2
204 1 68 TYR QE 1 131 ILE MG 5.000 . 6.000 5.486 3.985 6.101 0.101 10 0 "[ . 1 . 2]" 2
205 1 103 TYR QD 1 131 ILE MG 5.000 . 6.000 5.275 3.092 6.025 0.025 12 0 "[ . 1 . 2]" 2
206 1 100 PHE QD 1 131 ILE MG 5.000 . 6.000 5.406 4.196 6.092 0.092 3 0 "[ . 1 . 2]" 2
207 1 100 PHE QE 1 131 ILE MG 5.000 . 6.000 4.513 3.111 5.646 . 0 0 "[ . 1 . 2]" 2
208 1 54 VAL MG2 1 67 CYS HA 5.000 . 6.000 5.723 4.473 6.122 0.122 14 0 "[ . 1 . 2]" 2
209 1 54 VAL MG2 1 67 CYS QB 5.000 . 6.000 3.695 2.396 5.339 . 0 0 "[ . 1 . 2]" 2
210 1 68 TYR QE 1 122 THR MG 5.000 . 6.000 5.062 4.413 5.694 . 0 0 "[ . 1 . 2]" 2
211 1 76 GLU HA 1 78 ALA H 3.000 . 4.000 3.507 3.215 3.844 . 0 0 "[ . 1 . 2]" 2
212 1 76 GLU HA 1 79 LYS H 3.000 . 4.000 3.631 3.182 4.037 0.037 18 0 "[ . 1 . 2]" 2
213 1 76 GLU HA 1 80 LYS H 4.000 . 5.000 4.512 4.131 5.012 0.012 4 0 "[ . 1 . 2]" 2
214 1 21 LEU MD1 1 93 TYR QE 4.000 . 5.000 2.967 1.827 4.177 . 0 0 "[ . 1 . 2]" 2
215 1 93 TYR QE 1 136 ILE MG 5.000 . 6.000 3.810 2.721 5.256 . 0 0 "[ . 1 . 2]" 2
216 1 21 LEU MD2 1 93 TYR QE 4.000 . 5.000 3.564 1.777 5.019 0.023 7 0 "[ . 1 . 2]" 2
217 1 93 TYR QE 1 136 ILE MD 5.000 . 6.000 4.215 2.638 5.934 . 0 0 "[ . 1 . 2]" 2
218 1 94 VAL HA 1 95 LEU MD1 5.000 . 6.000 2.640 2.124 4.754 . 0 0 "[ . 1 . 2]" 2
219 1 93 TYR HA 1 94 VAL MG1 5.000 . 6.000 3.831 3.016 5.410 . 0 0 "[ . 1 . 2]" 2
220 1 102 GLN HB3 1 103 TYR H 5.000 . 6.000 2.885 2.378 3.873 . 0 0 "[ . 1 . 2]" 2
221 1 105 ILE MG 1 131 ILE MD 5.000 . 6.000 5.496 3.249 6.094 0.094 14 0 "[ . 1 . 2]" 2
222 1 103 TYR QE 1 135 VAL QG 4.000 . 5.000 3.919 1.796 5.159 0.159 10 0 "[ . 1 . 2]" 2
223 1 59 ILE MG 1 108 TYR QD 5.000 . 6.000 5.764 4.645 6.163 0.163 15 0 "[ . 1 . 2]" 2
224 1 109 GLU HA 1 110 VAL MG2 5.000 . 6.000 4.582 3.743 5.500 . 0 0 "[ . 1 . 2]" 2
225 1 110 VAL QG 1 120 GLU HA 5.000 . 6.000 4.142 3.782 4.468 . 0 0 "[ . 1 . 2]" 2
226 1 110 VAL QG 1 120 GLU HB2 5.000 . 6.000 2.822 1.774 3.314 0.026 2 0 "[ . 1 . 2]" 2
227 1 122 THR HA 1 123 ILE HA 5.000 . 6.000 4.401 4.373 4.427 . 0 0 "[ . 1 . 2]" 2
228 1 105 ILE MD 1 126 GLU QB 5.000 . 6.000 3.865 2.228 6.101 0.101 7 0 "[ . 1 . 2]" 2
229 1 125 ALA MB 1 131 ILE MG 5.000 . 6.000 1.923 1.728 3.581 0.072 2 0 "[ . 1 . 2]" 2
230 1 125 ALA MB 1 132 PRO HD2 5.000 . 6.000 3.667 2.987 4.528 . 0 0 "[ . 1 . 2]" 2
231 1 94 VAL MG2 1 137 ILE HA 5.000 . 6.000 5.373 4.917 6.154 0.154 6 0 "[ . 1 . 2]" 2
232 1 137 ILE HA 1 138 ALA MB 5.000 . 6.000 4.548 4.432 4.743 . 0 0 "[ . 1 . 2]" 2
233 1 137 ILE MD 1 138 ALA HA 5.000 . 6.000 5.220 4.124 5.768 . 0 0 "[ . 1 . 2]" 2
234 1 141 LEU MD2 1 142 ILE MG 5.000 . 6.000 4.255 3.930 4.462 . 0 0 "[ . 1 . 2]" 2
235 1 142 ILE MD 1 143 GLU HA 5.000 . 6.000 5.289 4.895 5.732 . 0 0 "[ . 1 . 2]" 2
236 1 142 ILE HG12 1 143 GLU HA 5.000 . 6.000 3.909 3.459 4.456 . 0 0 "[ . 1 . 2]" 2
237 1 143 GLU HA 1 144 ILE MD 5.000 . 6.000 4.908 3.968 6.107 0.107 16 0 "[ . 1 . 2]" 2
238 1 146 LEU HA 1 147 GLU QB 5.000 . 6.000 4.664 3.710 5.318 . 0 0 "[ . 1 . 2]" 2
239 1 3 ASN HA 1 4 PHE H 3.000 . 4.000 2.680 2.181 3.551 . 0 0 "[ . 1 . 2]" 2
240 1 6 TYR H 1 72 THR H 5.000 3.800 6.000 5.829 5.047 6.113 0.113 19 0 "[ . 1 . 2]" 2
241 1 7 ARG H 1 93 TYR H 3.000 . 4.000 3.510 3.023 3.734 . 0 0 "[ . 1 . 2]" 2
242 1 16 GLN H 1 17 ASN H 3.000 . 4.000 2.620 2.408 2.775 . 0 0 "[ . 1 . 2]" 2
243 1 16 GLN H 1 18 ASN H 4.000 . 5.000 4.204 3.946 4.529 . 0 0 "[ . 1 . 2]" 2
244 1 14 ASP H 1 16 GLN H 4.000 . 5.000 4.232 3.899 4.466 . 0 0 "[ . 1 . 2]" 2
245 1 21 LEU HA 1 22 LYS H 3.000 . 4.000 2.600 2.121 3.548 . 0 0 "[ . 1 . 2]" 2
246 1 21 LEU QD 1 22 LYS H 4.000 . 5.000 4.028 3.318 4.451 . 0 0 "[ . 1 . 2]" 2
247 1 28 ALA H 1 29 GLU H 3.000 . 4.000 3.132 1.787 4.116 0.116 5 0 "[ . 1 . 2]" 2
248 1 29 GLU HA 1 30 VAL H 3.000 . 4.000 2.806 2.086 3.580 . 0 0 "[ . 1 . 2]" 2
249 1 54 VAL H 1 55 TYR H 3.000 . 4.000 2.596 2.434 2.677 . 0 0 "[ . 1 . 2]" 2
250 1 69 ILE MG 1 70 SER H 3.000 . 4.000 3.411 2.498 4.109 0.109 3 0 "[ . 1 . 2]" 2
251 1 76 GLU H 1 77 ILE H 3.000 . 4.000 2.594 2.397 2.787 . 0 0 "[ . 1 . 2]" 2
252 1 77 ILE H 1 78 ALA H 3.000 . 4.000 2.796 2.635 2.911 . 0 0 "[ . 1 . 2]" 2
253 1 109 GLU HB2 1 110 VAL H 3.000 . 4.000 3.537 2.862 4.077 0.077 7 0 "[ . 1 . 2]" 2
254 1 110 VAL MG2 1 120 GLU H 3.000 . 4.000 3.085 2.502 3.927 . 0 0 "[ . 1 . 2]" 2
255 1 111 GLU HA 1 120 GLU H 3.000 . 4.000 3.260 2.606 3.661 . 0 0 "[ . 1 . 2]" 2
256 1 115 ASN HD21 1 117 ASN HA 3.000 . 4.000 4.005 3.858 4.090 0.090 8 0 "[ . 1 . 2]" 2
257 1 117 ASN HA 1 118 GLU H 3.000 . 4.000 3.074 2.870 3.369 . 0 0 "[ . 1 . 2]" 2
258 1 115 ASN HD22 1 117 ASN HD22 3.000 . 4.000 3.540 2.294 4.058 0.058 2 0 "[ . 1 . 2]" 2
259 1 70 SER H 1 122 THR MG 3.000 . 4.000 3.648 3.089 4.084 0.084 15 0 "[ . 1 . 2]" 2
260 1 130 CYS QB 1 131 ILE H 3.000 . 4.000 3.895 3.873 3.927 . 0 0 "[ . 1 . 2]" 2
261 1 132 PRO HA 1 133 GLU H 3.000 . 4.000 2.186 2.150 2.240 . 0 0 "[ . 1 . 2]" 2
262 1 138 ALA HA 1 139 LYS H 3.000 . 4.000 2.244 2.116 2.465 . 0 0 "[ . 1 . 2]" 2
263 1 142 ILE HA 1 143 GLU H 3.000 . 4.000 2.161 2.104 2.223 . 0 0 "[ . 1 . 2]" 2
264 1 143 GLU H 1 144 ILE H 3.000 . 4.000 3.204 2.076 4.035 0.035 16 0 "[ . 1 . 2]" 2
265 1 145 ASN HA 1 146 LEU H 3.000 . 4.000 2.756 2.163 3.575 . 0 0 "[ . 1 . 2]" 2
266 1 4 PHE HA 1 5 LEU H 3.000 . 4.000 2.245 2.122 2.673 . 0 0 "[ . 1 . 2]" 2
267 1 4 PHE HA 1 97 ARG H 3.000 . 4.000 3.192 1.732 4.056 0.068 16 0 "[ . 1 . 2]" 2
268 1 4 PHE QB 1 5 LEU H 4.000 . 5.000 3.189 1.947 3.905 . 0 0 "[ . 1 . 2]" 2
269 1 4 PHE QD 1 5 LEU H 4.000 . 5.000 3.615 2.253 4.560 . 0 0 "[ . 1 . 2]" 2
270 1 5 LEU HA 1 6 TYR H 3.000 . 4.000 2.250 2.127 2.410 . 0 0 "[ . 1 . 2]" 2
271 1 5 LEU HA 1 72 THR H 5.000 . 6.000 5.869 5.115 6.089 0.089 20 0 "[ . 1 . 2]" 2
272 1 5 LEU HB2 1 6 TYR H 4.000 . 5.000 3.578 2.390 4.327 . 0 0 "[ . 1 . 2]" 2
273 1 5 LEU QD 1 6 TYR H 4.000 . 5.000 3.872 3.289 4.388 . 0 0 "[ . 1 . 2]" 2
274 1 5 LEU MD1 1 97 ARG H 4.000 . 5.000 4.146 2.532 5.078 0.078 20 0 "[ . 1 . 2]" 2
275 1 6 TYR HA 1 7 ARG H 3.000 . 4.000 2.169 2.143 2.205 . 0 0 "[ . 1 . 2]" 2
276 1 7 ARG H 1 8 GLY H 4.000 . 5.000 4.209 3.775 4.442 . 0 0 "[ . 1 . 2]" 2
277 1 8 GLY H 1 9 ILE H 4.000 . 5.000 4.497 4.429 4.575 . 0 0 "[ . 1 . 2]" 2
278 1 6 TYR HB2 1 7 ARG H 4.000 . 5.000 4.424 4.309 4.604 . 0 0 "[ . 1 . 2]" 2
279 1 6 TYR QD 1 93 TYR H 4.000 . 5.000 4.809 3.543 5.073 0.073 4 0 "[ . 1 . 2]" 2
280 1 5 LEU H 1 6 TYR H 4.000 . 5.000 4.467 4.355 4.540 . 0 0 "[ . 1 . 2]" 2
281 1 6 TYR H 1 7 ARG H 4.000 . 5.000 4.361 4.151 4.524 . 0 0 "[ . 1 . 2]" 2
282 1 7 ARG HA 1 8 GLY H 3.000 . 4.000 2.255 2.136 2.404 . 0 0 "[ . 1 . 2]" 2
283 1 7 ARG HG3 1 8 GLY H 4.000 . 5.000 3.651 2.119 5.003 0.003 11 0 "[ . 1 . 2]" 2
284 1 7 ARG HG2 1 8 GLY H 4.000 . 5.000 3.996 2.514 5.069 0.069 10 0 "[ . 1 . 2]" 2
285 1 8 GLY HA3 1 9 ILE H 3.000 . 4.000 2.830 2.763 3.060 . 0 0 "[ . 1 . 2]" 2
286 1 8 GLY HA3 1 93 TYR H 3.000 . 4.000 4.127 4.030 4.223 0.223 11 0 "[ . 1 . 2]" 2
287 1 8 GLY HA2 1 93 TYR H 3.000 . 4.000 2.594 2.414 2.815 . 0 0 "[ . 1 . 2]" 2
288 1 8 GLY HA2 1 9 ILE H 3.000 . 4.000 2.322 2.213 2.369 . 0 0 "[ . 1 . 2]" 2
289 1 9 ILE HA 1 10 SER H 3.000 . 4.000 2.206 2.131 2.448 . 0 0 "[ . 1 . 2]" 2
290 1 10 SER HA 1 11 CYS H 3.000 . 4.000 3.315 2.921 3.541 . 0 0 "[ . 1 . 2]" 2
291 1 12 GLN HA 1 15 GLU H 3.000 . 4.000 3.441 3.005 4.067 0.067 11 0 "[ . 1 . 2]" 2
292 1 12 GLN HA 1 15 GLU QB 3.000 . 4.000 2.597 2.111 3.486 . 0 0 "[ . 1 . 2]" 2
293 1 11 CYS H 1 12 GLN H 3.000 . 4.000 3.391 2.750 4.188 0.188 4 0 "[ . 1 . 2]" 2
294 1 11 CYS H 1 13 GLN H 4.000 . 5.000 5.075 4.283 5.256 0.256 2 0 "[ . 1 . 2]" 2
295 1 12 GLN H 1 13 GLN H 3.000 . 4.000 2.696 2.540 3.192 . 0 0 "[ . 1 . 2]" 2
296 1 12 GLN H 1 14 ASP H 4.000 . 5.000 4.373 4.152 4.788 . 0 0 "[ . 1 . 2]" 2
297 1 13 GLN H 1 15 GLU H 4.000 . 5.000 4.010 3.800 4.214 . 0 0 "[ . 1 . 2]" 2
298 1 13 GLN H 1 14 ASP H 3.000 . 4.000 2.617 2.386 2.836 . 0 0 "[ . 1 . 2]" 2
299 1 14 ASP H 1 15 GLU H 3.000 . 4.000 2.616 2.346 2.738 . 0 0 "[ . 1 . 2]" 2
300 1 14 ASP HA 1 17 ASN H 3.000 . 4.000 3.452 2.896 3.728 . 0 0 "[ . 1 . 2]" 2
301 1 14 ASP HA 1 17 ASN QB 3.000 . 4.000 2.458 1.796 2.763 0.004 8 0 "[ . 1 . 2]" 2
302 1 15 GLU HA 1 18 ASN H 3.000 . 4.000 3.659 3.163 4.102 0.102 8 0 "[ . 1 . 2]" 2
303 1 15 GLU HA 1 18 ASN QB 3.000 . 4.000 3.094 2.398 3.873 . 0 0 "[ . 1 . 2]" 2
304 1 18 ASN H 1 19 GLY H 3.000 . 4.000 2.385 2.206 2.672 . 0 0 "[ . 1 . 2]" 2
305 1 18 ASN H 1 20 GLN H 4.000 . 5.000 3.895 3.303 4.956 . 0 0 "[ . 1 . 2]" 2
306 1 18 ASN HA 1 20 GLN H 4.000 . 5.000 4.436 4.103 5.138 0.138 9 0 "[ . 1 . 2]" 2
307 1 15 GLU HA 1 20 GLN H 3.000 . 4.000 3.623 2.788 4.113 0.113 2 0 "[ . 1 . 2]" 2
308 1 15 GLU HA 1 22 LYS H 3.000 . 4.000 3.907 3.257 4.181 0.181 1 0 "[ . 1 . 2]" 2
309 1 15 GLU HA 1 21 LEU HA 3.000 . 4.000 3.478 2.103 4.360 0.360 8 0 "[ . 1 . 2]" 2
310 1 19 GLY H 1 20 GLN H 3.000 . 4.000 2.436 2.238 2.634 . 0 0 "[ . 1 . 2]" 2
311 1 19 GLY QA 1 20 GLN H 4.000 . 5.000 2.853 2.596 2.927 . 0 0 "[ . 1 . 2]" 2
312 1 15 GLU H 1 17 ASN H 4.000 . 5.000 4.013 3.843 4.204 . 0 0 "[ . 1 . 2]" 2
313 1 17 ASN H 1 18 ASN H 3.000 . 4.000 2.597 2.389 2.797 . 0 0 "[ . 1 . 2]" 2
314 1 17 ASN H 1 19 GLY H 4.000 . 5.000 3.794 3.524 4.395 . 0 0 "[ . 1 . 2]" 2
315 1 16 GLN HA 1 19 GLY H 3.000 . 4.000 3.425 3.024 4.106 0.106 17 0 "[ . 1 . 2]" 2
316 1 15 GLU H 1 16 GLN H 3.000 . 4.000 2.779 2.569 2.934 . 0 0 "[ . 1 . 2]" 2
317 1 20 GLN HA 1 21 LEU H 3.000 . 4.000 2.665 2.209 3.242 . 0 0 "[ . 1 . 2]" 2
318 1 20 GLN H 1 21 LEU HA 4.000 . 5.000 4.559 3.791 5.090 0.090 4 0 "[ . 1 . 2]" 2
319 1 20 GLN QB 1 21 LEU H 4.000 . 5.000 2.891 1.704 4.007 0.096 9 0 "[ . 1 . 2]" 2
320 1 25 GLY HA2 1 26 ASN H 4.000 . 5.000 2.640 2.195 3.489 . 0 0 "[ . 1 . 2]" 2
321 1 28 ALA HA 1 29 GLU H 4.000 . 5.000 3.067 2.156 3.558 . 0 0 "[ . 1 . 2]" 2
322 1 28 ALA MB 1 29 GLU H 4.000 . 5.000 2.558 1.750 3.708 0.050 11 0 "[ . 1 . 2]" 2
323 1 28 ALA MB 1 30 VAL H 4.000 . 5.000 4.134 2.667 5.248 0.248 9 0 "[ . 1 . 2]" 2
324 1 30 VAL HA 1 31 ALA H 4.000 . 5.000 2.622 2.143 3.537 . 0 0 "[ . 1 . 2]" 2
325 1 30 VAL H 1 31 ALA H 4.000 . 5.000 3.611 1.846 4.623 . 0 0 "[ . 1 . 2]" 2
326 1 32 ILE HA 1 33 ARG H 4.000 . 5.000 2.443 2.133 3.529 . 0 0 "[ . 1 . 2]" 2
327 1 28 ALA H 1 43 LYS QG 4.000 . 5.000 4.402 1.996 5.113 0.113 14 0 "[ . 1 . 2]" 2
328 1 46 HIS HA 1 47 GLY H 4.000 . 5.000 2.690 2.142 3.559 . 0 0 "[ . 1 . 2]" 2
329 1 54 VAL HA 1 55 TYR H 4.000 . 5.000 3.519 3.480 3.541 . 0 0 "[ . 1 . 2]" 2
330 1 54 VAL HB 1 55 TYR H 4.000 . 5.000 3.841 3.636 4.059 . 0 0 "[ . 1 . 2]" 2
331 1 54 VAL MG1 1 55 TYR H 4.000 . 5.000 2.225 2.132 2.400 . 0 0 "[ . 1 . 2]" 2
332 1 58 GLN HA 1 59 ILE H 4.000 . 5.000 3.533 3.470 3.578 . 0 0 "[ . 1 . 2]" 2
333 1 58 GLN QB 1 59 ILE H 4.000 . 5.000 2.682 2.252 3.583 . 0 0 "[ . 1 . 2]" 2
334 1 59 ILE HA 1 60 GLU H 4.000 . 5.000 3.534 3.479 3.576 . 0 0 "[ . 1 . 2]" 2
335 1 59 ILE MG 1 60 GLU H 4.000 . 5.000 3.303 2.553 3.764 . 0 0 "[ . 1 . 2]" 2
336 1 60 GLU HB3 1 61 THR H 4.000 . 5.000 2.842 1.867 3.790 . 0 0 "[ . 1 . 2]" 2
337 1 62 GLY QA 1 63 LEU H 3.000 . 4.000 2.434 2.117 2.915 . 0 0 "[ . 1 . 2]" 2
338 1 65 ASP HA 1 66 GLY H 3.000 . 4.000 3.032 2.195 3.593 . 0 0 "[ . 1 . 2]" 2
339 1 66 GLY HA3 1 67 CYS H 3.000 . 4.000 2.925 2.141 3.580 . 0 0 "[ . 1 . 2]" 2
340 1 66 GLY HA2 1 67 CYS H 3.000 . 4.000 3.290 2.214 3.578 . 0 0 "[ . 1 . 2]" 2
341 1 64 TYR HA 1 65 ASP HA 4.000 . 5.000 4.766 4.465 5.264 0.264 7 0 "[ . 1 . 2]" 2
342 1 63 LEU HA 1 64 TYR HA 4.000 . 5.000 4.637 4.353 5.274 0.274 18 0 "[ . 1 . 2]" 2
343 1 65 ASP H 1 66 GLY QA 4.000 . 5.000 4.675 3.706 5.260 0.260 7 0 "[ . 1 . 2]" 2
344 1 65 ASP HB2 1 66 GLY H 4.000 . 5.000 3.915 2.154 4.619 . 0 0 "[ . 1 . 2]" 2
345 1 68 TYR HA 1 69 ILE H 3.000 . 4.000 2.384 2.246 2.488 . 0 0 "[ . 1 . 2]" 2
346 1 69 ILE HA 1 70 SER H 4.000 . 5.000 2.176 2.117 2.207 . 0 0 "[ . 1 . 2]" 2
347 1 69 ILE HB 1 70 SER H 4.000 . 5.000 4.215 3.641 4.453 . 0 0 "[ . 1 . 2]" 2
348 1 69 ILE MD 1 123 ILE H 4.000 . 5.000 4.713 4.230 5.102 0.102 8 0 "[ . 1 . 2]" 2
349 1 70 SER QB 1 71 THR H 4.000 . 5.000 3.295 2.982 3.551 . 0 0 "[ . 1 . 2]" 2
350 1 6 TYR H 1 71 THR HA 5.000 . 6.000 5.024 4.083 5.705 . 0 0 "[ . 1 . 2]" 2
351 1 6 TYR H 1 71 THR HB 5.000 . 6.000 5.004 2.968 6.078 0.078 16 0 "[ . 1 . 2]" 2
352 1 72 THR HA 1 73 THR H 3.000 . 4.000 2.370 2.282 2.500 . 0 0 "[ . 1 . 2]" 2
353 1 72 THR HA 1 121 VAL H 3.000 . 4.000 2.957 2.433 3.486 . 0 0 "[ . 1 . 2]" 2
354 1 73 THR H 1 74 ASP H 3.000 . 4.000 2.707 2.462 2.898 . 0 0 "[ . 1 . 2]" 2
355 1 73 THR HA 1 74 ASP H 3.000 . 4.000 3.357 3.146 3.560 . 0 0 "[ . 1 . 2]" 2
356 1 73 THR HA 1 74 ASP HA 4.000 . 5.000 4.620 4.389 4.740 . 0 0 "[ . 1 . 2]" 2
357 1 74 ASP H 1 75 LYS HA 5.000 . 6.000 5.253 4.911 5.491 . 0 0 "[ . 1 . 2]" 2
358 1 77 ILE HA 1 81 PHE HA 5.000 . 6.000 5.462 5.227 6.015 0.015 6 0 "[ . 1 . 2]" 2
359 1 77 ILE HA 1 80 LYS HA 5.000 . 6.000 5.406 5.110 5.759 . 0 0 "[ . 1 . 2]" 2
360 1 73 THR H 1 119 LYS H 5.000 . 6.000 3.813 2.790 5.483 . 0 0 "[ . 1 . 2]" 2
361 1 73 THR H 1 121 VAL H 4.000 . 5.000 4.208 3.351 4.846 . 0 0 "[ . 1 . 2]" 2
362 1 75 LYS H 1 76 GLU H 3.000 . 4.000 2.697 2.552 2.918 . 0 0 "[ . 1 . 2]" 2
363 1 75 LYS H 1 77 ILE H 4.000 . 5.000 4.305 4.134 4.506 . 0 0 "[ . 1 . 2]" 2
364 1 4 PHE H 1 75 LYS HA 6.000 . 7.000 5.729 4.237 7.042 0.042 9 0 "[ . 1 . 2]" 2
365 1 75 LYS HA 1 77 ILE H 3.000 . 4.000 3.503 3.297 3.783 . 0 0 "[ . 1 . 2]" 2
366 1 75 LYS HA 1 78 ALA H 4.000 . 5.000 4.328 3.706 5.038 0.038 15 0 "[ . 1 . 2]" 2
367 1 6 TYR QD 1 78 ALA HA 5.000 . 6.000 3.203 2.682 3.518 . 0 0 "[ . 1 . 2]" 2
368 1 4 PHE QD 1 78 ALA HA 5.000 . 6.000 5.577 4.716 6.107 0.107 10 0 "[ . 1 . 2]" 2
369 1 78 ALA HA 1 81 PHE QB 3.000 . 4.000 3.212 2.795 3.487 . 0 0 "[ . 1 . 2]" 2
370 1 78 ALA HA 1 81 PHE H 3.000 . 4.000 4.007 3.763 4.083 0.083 18 0 "[ . 1 . 2]" 2
371 1 77 ILE HA 1 81 PHE H 3.000 . 4.000 3.552 3.340 3.775 . 0 0 "[ . 1 . 2]" 2
372 1 78 ALA H 1 79 LYS H 3.000 . 4.000 2.842 2.639 3.091 . 0 0 "[ . 1 . 2]" 2
373 1 82 ALA HA 1 85 SER H 3.000 . 4.000 3.857 3.627 4.067 0.067 5 0 "[ . 1 . 2]" 2
374 1 82 ALA HA 1 86 GLY H 5.000 . 6.000 5.107 4.931 5.279 . 0 0 "[ . 1 . 2]" 2
375 1 81 PHE HA 1 85 SER H 4.000 . 5.000 4.167 3.946 4.378 . 0 0 "[ . 1 . 2]" 2
376 1 83 THR HA 1 85 SER H 3.000 . 4.000 4.041 3.927 4.124 0.124 4 0 "[ . 1 . 2]" 2
377 1 79 LYS HA 1 82 ALA H 3.000 . 4.000 3.647 3.209 3.904 . 0 0 "[ . 1 . 2]" 2
378 1 79 LYS HA 1 82 ALA MB 3.000 . 4.000 2.699 2.162 2.939 . 0 0 "[ . 1 . 2]" 2
379 1 82 ALA HA 1 85 SER QB 3.000 . 4.000 3.283 2.883 4.020 0.020 6 0 "[ . 1 . 2]" 2
380 1 82 ALA H 1 84 SER H 4.000 . 5.000 4.309 4.116 4.442 . 0 0 "[ . 1 . 2]" 2
381 1 82 ALA H 1 83 THR H 3.000 . 4.000 2.866 2.720 2.993 . 0 0 "[ . 1 . 2]" 2
382 1 81 PHE H 1 82 ALA H 3.000 . 4.000 2.642 2.571 2.737 . 0 0 "[ . 1 . 2]" 2
383 1 83 THR H 1 84 SER H 3.000 . 4.000 2.657 2.533 2.802 . 0 0 "[ . 1 . 2]" 2
384 1 80 LYS HA 1 83 THR H 3.000 . 4.000 3.980 3.759 4.154 0.154 9 0 "[ . 1 . 2]" 2
385 1 80 LYS HA 1 83 THR HB 3.000 . 4.000 3.581 3.222 3.887 . 0 0 "[ . 1 . 2]" 2
386 1 83 THR HA 1 86 GLY H 3.000 . 4.000 3.570 3.302 3.872 . 0 0 "[ . 1 . 2]" 2
387 1 84 SER HA 1 86 GLY H 3.000 . 4.000 3.669 3.507 3.758 . 0 0 "[ . 1 . 2]" 2
388 1 83 THR H 1 85 SER H 4.000 . 5.000 3.981 3.835 4.112 . 0 0 "[ . 1 . 2]" 2
389 1 84 SER H 1 85 SER H 3.000 . 4.000 2.609 2.511 2.678 . 0 0 "[ . 1 . 2]" 2
390 1 84 SER H 1 86 GLY H 4.000 . 5.000 4.014 3.802 4.151 . 0 0 "[ . 1 . 2]" 2
391 1 81 PHE HA 1 84 SER H 4.000 . 5.000 3.737 3.544 3.900 . 0 0 "[ . 1 . 2]" 2
392 1 81 PHE HA 1 84 SER QB 3.000 . 4.000 2.962 2.548 3.357 . 0 0 "[ . 1 . 2]" 2
393 1 84 SER HA 1 87 ILE H 5.000 . 6.000 6.052 5.909 6.130 0.130 1 0 "[ . 1 . 2]" 2
394 1 83 THR HA 1 87 ILE H 3.000 . 4.000 3.635 2.835 4.024 0.024 11 0 "[ . 1 . 2]" 2
395 1 85 SER H 1 86 GLY H 3.000 . 4.000 2.365 2.251 2.475 . 0 0 "[ . 1 . 2]" 2
396 1 86 GLY H 1 87 ILE H 3.000 . 4.000 2.671 2.545 2.802 . 0 0 "[ . 1 . 2]" 2
397 1 85 SER H 1 87 ILE H 3.000 . 4.000 3.620 3.429 3.909 . 0 0 "[ . 1 . 2]" 2
398 1 86 GLY HA3 1 87 ILE H 3.000 . 4.000 3.515 3.451 3.563 . 0 0 "[ . 1 . 2]" 2
399 1 86 GLY HA2 1 87 ILE H 3.000 . 4.000 2.846 2.597 3.044 . 0 0 "[ . 1 . 2]" 2
400 1 86 GLY QA 1 88 GLU H 3.000 . 4.000 3.057 2.912 3.263 . 0 0 "[ . 1 . 2]" 2
401 1 87 ILE H 1 88 GLU H 3.000 . 4.000 2.511 2.296 2.714 . 0 0 "[ . 1 . 2]" 2
402 1 86 GLY H 1 88 GLU H 4.000 . 5.000 4.393 4.052 4.803 . 0 0 "[ . 1 . 2]" 2
403 1 89 ASN HA 1 143 GLU HA 3.000 . 4.000 2.565 1.947 3.652 . 0 0 "[ . 1 . 2]" 2
404 1 89 ASN HA 1 144 ILE H 4.000 . 4.000 3.056 2.355 3.645 . 0 0 "[ . 1 . 2]" 2
405 1 88 GLU H 1 89 ASN H 3.000 . 4.000 3.061 2.857 3.246 . 0 0 "[ . 1 . 2]" 2
406 1 88 GLU HA 1 89 ASN HA 4.000 . 5.000 4.539 4.500 4.573 . 0 0 "[ . 1 . 2]" 2
407 1 87 ILE HA 1 89 ASN H 3.000 . 4.000 3.646 3.399 3.962 . 0 0 "[ . 1 . 2]" 2
408 1 86 GLY QA 1 89 ASN H 5.000 . 6.000 4.593 4.142 5.115 . 0 0 "[ . 1 . 2]" 2
409 1 83 THR HA 1 88 GLU H 3.000 . 4.000 3.988 3.556 4.212 0.212 9 0 "[ . 1 . 2]" 2
410 1 83 THR HA 1 88 GLU HA 5.000 . 6.000 5.362 4.374 6.063 0.063 9 0 "[ . 1 . 2]" 2
411 1 89 ASN H 1 90 GLY QA 4.000 . 5.000 4.365 4.189 4.696 . 0 0 "[ . 1 . 2]" 2
412 1 89 ASN H 1 90 GLY H 4.000 . 5.000 3.920 3.715 4.223 . 0 0 "[ . 1 . 2]" 2
413 1 89 ASN HA 1 90 GLY H 3.000 . 4.000 2.237 2.167 2.304 . 0 0 "[ . 1 . 2]" 2
414 1 87 ILE HA 1 91 TYR H 5.000 . 6.000 5.148 4.666 5.680 . 0 0 "[ . 1 . 2]" 2
415 1 10 SER HA 1 90 GLY QA 3.000 . 4.000 3.304 2.571 4.054 0.054 4 0 "[ . 1 . 2]" 2
416 1 90 GLY HA3 1 91 TYR H 4.000 . 5.000 2.225 2.114 2.400 . 0 0 "[ . 1 . 2]" 2
417 1 90 GLY HA2 1 91 TYR H 4.000 . 5.000 2.973 2.681 3.206 . 0 0 "[ . 1 . 2]" 2
418 1 91 TYR HA 1 92 ILE H 3.000 . 4.000 2.278 2.161 2.335 . 0 0 "[ . 1 . 2]" 2
419 1 91 TYR HB3 1 92 ILE H 4.000 . 5.000 3.607 3.235 4.293 . 0 0 "[ . 1 . 2]" 2
420 1 91 TYR QE 1 92 ILE H 4.000 . 5.000 4.442 4.030 5.007 0.007 10 0 "[ . 1 . 2]" 2
421 1 9 ILE H 1 92 ILE HA 3.000 . 4.000 3.035 2.645 3.759 . 0 0 "[ . 1 . 2]" 2
422 1 92 ILE HA 1 93 TYR H 3.000 . 4.000 2.194 2.131 2.273 . 0 0 "[ . 1 . 2]" 2
423 1 92 ILE QG 1 93 TYR H 4.000 . 5.000 3.964 2.357 4.671 . 0 0 "[ . 1 . 2]" 2
424 1 93 TYR HA 1 94 VAL H 3.000 . 4.000 2.221 2.091 2.327 . 0 0 "[ . 1 . 2]" 2
425 1 94 VAL HA 1 95 LEU H 3.000 . 4.000 2.160 2.103 2.225 . 0 0 "[ . 1 . 2]" 2
426 1 94 VAL MG2 1 95 LEU H 4.000 . 5.000 3.746 2.837 4.417 . 0 0 "[ . 1 . 2]" 2
427 1 95 LEU HA 1 96 ASN H 3.000 . 4.000 2.250 2.205 2.300 . 0 0 "[ . 1 . 2]" 2
428 1 96 ASN H 1 97 ARG HA 5.000 . 6.000 5.274 5.133 5.367 . 0 0 "[ . 1 . 2]" 2
429 1 97 ARG HA 1 99 LEU H 3.000 . 4.000 3.988 3.808 4.060 0.060 6 0 "[ . 1 . 2]" 2
430 1 97 ARG HA 1 101 GLY H 4.000 . 5.000 4.426 3.684 4.945 . 0 0 "[ . 1 . 2]" 2
431 1 96 ASN H 1 97 ARG H 4.000 . 5.000 4.539 4.406 4.628 . 0 0 "[ . 1 . 2]" 2
432 1 96 ASN HA 1 97 ARG H 3.000 . 4.000 2.207 2.135 2.290 . 0 0 "[ . 1 . 2]" 2
433 1 5 LEU H 1 95 LEU H 3.000 . 4.000 3.214 2.818 3.632 . 0 0 "[ . 1 . 2]" 2
434 1 3 ASN H 1 97 ARG H 3.000 . 4.000 3.787 2.174 4.161 0.161 2 0 "[ . 1 . 2]" 2
435 1 5 LEU H 1 96 ASN HA 3.000 . 4.000 3.515 3.167 3.727 . 0 0 "[ . 1 . 2]" 2
436 1 96 ASN HB3 1 97 ARG H 4.000 . 5.000 4.049 3.557 4.369 . 0 0 "[ . 1 . 2]" 2
437 1 96 ASN HB2 1 97 ARG H 4.000 . 5.000 3.993 2.909 4.586 . 0 0 "[ . 1 . 2]" 2
438 1 97 ARG H 1 98 ASP H 3.000 . 4.000 2.525 2.109 2.746 . 0 0 "[ . 1 . 2]" 2
439 1 97 ARG H 1 99 LEU H 3.000 . 4.000 4.037 3.782 4.213 0.213 11 0 "[ . 1 . 2]" 2
440 1 98 ASP HA 1 101 GLY H 3.000 . 4.000 3.171 2.799 3.766 . 0 0 "[ . 1 . 2]" 2
441 1 97 ARG HB3 1 98 ASP H 4.000 . 5.000 2.947 2.433 3.829 . 0 0 "[ . 1 . 2]" 2
442 1 97 ARG HB2 1 98 ASP H 4.000 . 5.000 3.855 2.835 4.212 . 0 0 "[ . 1 . 2]" 2
443 1 98 ASP H 1 99 LEU H 3.000 . 4.000 2.615 2.404 2.758 . 0 0 "[ . 1 . 2]" 2
444 1 99 LEU H 1 100 PHE H 3.000 . 4.000 2.622 2.516 2.732 . 0 0 "[ . 1 . 2]" 2
445 1 100 PHE QB 1 101 GLY H 4.000 . 5.000 2.644 2.496 2.878 . 0 0 "[ . 1 . 2]" 2
446 1 100 PHE QB 1 105 ILE H 4.000 . 5.000 3.652 3.299 4.090 . 0 0 "[ . 1 . 2]" 2
447 1 100 PHE H 1 101 GLY H 4.000 . 5.000 2.583 2.471 2.662 . 0 0 "[ . 1 . 2]" 2
448 1 101 GLY QA 1 102 GLN H 4.000 . 5.000 2.679 2.590 2.736 . 0 0 "[ . 1 . 2]" 2
449 1 101 GLY H 1 103 TYR H 4.000 . 5.000 4.083 3.871 4.348 . 0 0 "[ . 1 . 2]" 2
450 1 102 GLN H 1 103 TYR H 3.000 . 4.000 2.620 2.458 2.817 . 0 0 "[ . 1 . 2]" 2
451 1 103 TYR H 1 104 SER H 3.000 . 4.000 2.514 2.359 2.622 . 0 0 "[ . 1 . 2]" 2
452 1 105 ILE HA 1 106 PHE H 4.000 . 5.000 2.462 2.329 2.588 . 0 0 "[ . 1 . 2]" 2
453 1 107 GLU HA 1 108 TYR H 4.000 . 5.000 2.168 2.119 2.283 . 0 0 "[ . 1 . 2]" 2
454 1 108 TYR HA 1 109 GLU H 4.000 . 5.000 2.151 2.105 2.224 . 0 0 "[ . 1 . 2]" 2
455 1 108 TYR QB 1 109 GLU H 4.000 . 5.000 3.777 2.738 3.903 . 0 0 "[ . 1 . 2]" 2
456 1 109 GLU HA 1 110 VAL H 4.000 . 5.000 2.150 2.094 2.262 . 0 0 "[ . 1 . 2]" 2
457 1 109 GLU HG3 1 110 VAL H 4.000 . 5.000 4.812 3.745 5.138 0.138 12 0 "[ . 1 . 2]" 2
458 1 110 VAL HA 1 111 GLU H 4.000 . 5.000 2.192 2.099 2.308 . 0 0 "[ . 1 . 2]" 2
459 1 110 VAL QG 1 111 GLU H 4.000 . 5.000 3.198 2.903 3.497 . 0 0 "[ . 1 . 2]" 2
460 1 110 VAL H 1 120 GLU H 4.000 . 5.000 3.776 3.342 4.125 . 0 0 "[ . 1 . 2]" 2
461 1 111 GLU HB2 1 112 HIS H 4.000 . 5.000 3.114 2.645 3.316 . 0 0 "[ . 1 . 2]" 2
462 1 113 PRO QB 1 114 GLU H 3.000 . 4.000 2.640 2.485 3.092 . 0 0 "[ . 1 . 2]" 2
463 1 113 PRO QG 1 114 GLU H 4.000 . 5.000 4.346 4.235 4.592 . 0 0 "[ . 1 . 2]" 2
464 1 114 GLU H 1 115 ASN H 3.000 . 4.000 3.110 2.803 3.387 . 0 0 "[ . 1 . 2]" 2
465 1 115 ASN HD21 1 117 ASN HD22 4.000 . 5.000 3.774 2.583 4.528 . 0 0 "[ . 1 . 2]" 2
466 1 116 PRO QG 1 117 ASN H 4.000 . 5.000 4.018 3.934 4.103 . 0 0 "[ . 1 . 2]" 2
467 1 115 ASN HD22 1 117 ASN HA 4.000 . 5.000 5.216 5.133 5.314 0.314 5 0 "[ . 1 . 2]" 2
468 1 118 GLU HA 1 119 LYS H 3.000 . 4.000 2.186 2.110 2.315 . 0 0 "[ . 1 . 2]" 2
469 1 112 HIS H 1 119 LYS HA 3.000 . 4.000 3.030 2.313 3.498 . 0 0 "[ . 1 . 2]" 2
470 1 112 HIS H 1 118 GLU H 4.000 . 5.000 4.643 4.040 5.095 0.095 1 0 "[ . 1 . 2]" 2
471 1 119 LYS HA 1 120 GLU H 3.000 . 4.000 2.194 2.132 2.309 . 0 0 "[ . 1 . 2]" 2
472 1 120 GLU HA 1 121 VAL H 4.000 . 5.000 2.154 2.127 2.203 . 0 0 "[ . 1 . 2]" 2
473 1 120 GLU HG3 1 121 VAL H 4.000 . 5.000 4.105 3.172 5.054 0.054 18 0 "[ . 1 . 2]" 2
474 1 121 VAL HA 1 122 THR H 4.000 . 5.000 2.177 2.119 2.223 . 0 0 "[ . 1 . 2]" 2
475 1 121 VAL MG1 1 122 THR H 4.000 . 5.000 3.466 3.032 4.320 . 0 0 "[ . 1 . 2]" 2
476 1 71 THR H 1 121 VAL H 3.000 . 4.000 3.588 3.105 3.983 . 0 0 "[ . 1 . 2]" 2
477 1 71 THR H 1 122 THR HA 3.000 . 4.000 2.973 2.687 3.302 . 0 0 "[ . 1 . 2]" 2
478 1 122 THR HA 1 123 ILE H 4.000 . 5.000 2.134 2.102 2.172 . 0 0 "[ . 1 . 2]" 2
479 1 122 THR HB 1 123 ILE H 4.000 . 5.000 4.123 3.735 4.346 . 0 0 "[ . 1 . 2]" 2
480 1 108 TYR H 1 122 THR H 4.000 . 5.000 3.918 3.537 4.244 . 0 0 "[ . 1 . 2]" 2
481 1 121 VAL H 1 122 THR H 4.000 . 5.000 4.194 3.962 4.351 . 0 0 "[ . 1 . 2]" 2
482 1 71 THR H 1 123 ILE H 3.000 . 4.000 3.886 3.595 4.101 0.101 8 0 "[ . 1 . 2]" 2
483 1 124 ARG HA 1 125 ALA H 4.000 . 5.000 2.149 2.051 2.243 . 0 0 "[ . 1 . 2]" 2
484 1 68 TYR HA 1 124 ARG HA 4.000 . 5.000 3.454 2.776 4.061 . 0 0 "[ . 1 . 2]" 2
485 1 126 GLU QB 1 127 ASP H 4.000 . 5.000 2.690 2.099 3.347 . 0 0 "[ . 1 . 2]" 2
486 1 127 ASP H 1 131 ILE HA 5.000 . 6.000 4.981 3.986 5.695 . 0 0 "[ . 1 . 2]" 2
487 1 127 ASP H 1 131 ILE H 4.000 . 5.000 4.038 3.408 4.555 . 0 0 "[ . 1 . 2]" 2
488 1 126 GLU H 1 131 ILE H 5.000 . 6.000 4.981 4.342 5.664 . 0 0 "[ . 1 . 2]" 2
489 1 126 GLU H 1 127 ASP H 3.000 . 4.000 2.773 2.512 3.032 . 0 0 "[ . 1 . 2]" 2
490 1 125 ALA MB 1 127 ASP H 4.000 . 5.000 2.911 2.403 3.439 . 0 0 "[ . 1 . 2]" 2
491 1 105 ILE HG13 1 126 GLU H 4.000 . 5.000 3.545 1.842 5.027 0.027 20 0 "[ . 1 . 2]" 2
492 1 105 ILE HG12 1 126 GLU H 4.000 . 5.000 3.660 2.435 5.062 0.062 17 0 "[ . 1 . 2]" 2
493 1 126 GLU H 1 131 ILE HG13 5.000 . 6.000 5.832 3.786 6.125 0.125 16 0 "[ . 1 . 2]" 2
494 1 126 GLU H 1 131 ILE HG12 5.000 . 6.000 5.058 2.820 5.965 . 0 0 "[ . 1 . 2]" 2
495 1 130 CYS HA 1 131 ILE H 3.000 . 4.000 2.428 2.367 2.504 . 0 0 "[ . 1 . 2]" 2
496 1 133 GLU HA 1 134 GLU H 3.000 . 4.000 3.386 3.227 3.504 . 0 0 "[ . 1 . 2]" 2
497 1 133 GLU H 1 135 VAL H 4.000 . 5.000 4.232 3.971 4.433 . 0 0 "[ . 1 . 2]" 2
498 1 133 GLU H 1 134 GLU H 3.000 . 4.000 2.527 2.321 2.680 . 0 0 "[ . 1 . 2]" 2
499 1 133 GLU HB2 1 134 GLU H 4.000 . 5.000 3.620 2.893 4.364 . 0 0 "[ . 1 . 2]" 2
500 1 133 GLU HG3 1 134 GLU H 4.000 . 5.000 4.281 2.606 5.059 0.059 8 0 "[ . 1 . 2]" 2
501 1 134 GLU HA 1 135 VAL H 4.000 . 5.000 3.296 3.139 3.493 . 0 0 "[ . 1 . 2]" 2
502 1 134 GLU HA 1 136 ILE H 3.000 . 4.000 3.525 3.211 3.825 . 0 0 "[ . 1 . 2]" 2
503 1 134 GLU H 1 135 VAL H 3.000 . 4.000 2.546 2.293 2.706 . 0 0 "[ . 1 . 2]" 2
504 1 134 GLU HB2 1 135 VAL H 4.000 . 5.000 3.611 2.979 4.245 . 0 0 "[ . 1 . 2]" 2
505 1 133 GLU HA 1 135 VAL H 3.000 . 4.000 3.549 3.315 3.874 . 0 0 "[ . 1 . 2]" 2
506 1 133 GLU HA 1 136 ILE H 4.000 . 5.000 4.396 3.738 5.093 0.093 6 0 "[ . 1 . 2]" 2
507 1 135 VAL HB 1 136 ILE H 4.000 . 5.000 4.057 3.762 4.240 . 0 0 "[ . 1 . 2]" 2
508 1 135 VAL H 1 136 ILE H 3.000 . 4.000 2.570 2.398 2.783 . 0 0 "[ . 1 . 2]" 2
509 1 136 ILE HA 1 137 ILE H 3.000 . 4.000 2.194 2.098 2.291 . 0 0 "[ . 1 . 2]" 2
510 1 136 ILE HA 1 138 ALA H 3.000 . 4.000 3.513 3.199 3.758 . 0 0 "[ . 1 . 2]" 2
511 1 96 ASN H 1 137 ILE H 3.000 . 4.000 3.352 3.019 3.930 . 0 0 "[ . 1 . 2]" 2
512 1 96 ASN H 1 135 VAL HA 4.000 . 5.000 4.434 3.636 5.086 0.086 6 0 "[ . 1 . 2]" 2
513 1 95 LEU HA 1 137 ILE H 3.000 . 4.000 2.304 2.050 2.687 . 0 0 "[ . 1 . 2]" 2
514 1 95 LEU HA 1 136 ILE HA 3.000 . 4.000 2.780 2.195 3.996 . 0 0 "[ . 1 . 2]" 2
515 1 96 ASN H 1 136 ILE HA 5.000 . 6.000 4.482 3.723 5.775 . 0 0 "[ . 1 . 2]" 2
516 1 136 ILE H 1 137 ILE H 3.000 . 4.000 4.077 3.996 4.181 0.181 6 0 "[ . 1 . 2]" 2
517 1 136 ILE MG 1 137 ILE H 4.000 . 5.000 3.757 3.351 4.290 . 0 0 "[ . 1 . 2]" 2
518 1 137 ILE HB 1 138 ALA H 4.000 . 5.000 3.843 3.602 4.066 . 0 0 "[ . 1 . 2]" 2
519 1 137 ILE H 1 138 ALA H 3.000 . 4.000 2.512 2.329 2.612 . 0 0 "[ . 1 . 2]" 2
520 1 137 ILE H 1 138 ALA HA 4.000 . 5.000 5.084 4.915 5.145 0.145 19 0 "[ . 1 . 2]" 2
521 1 94 VAL H 1 137 ILE HG13 4.000 . 5.000 4.481 4.093 4.869 . 0 0 "[ . 1 . 2]" 2
522 1 138 ALA MB 1 139 LYS H 4.000 . 5.000 2.704 2.311 3.178 . 0 0 "[ . 1 . 2]" 2
523 1 139 LYS HA 1 140 GLU H 4.000 . 5.000 2.202 2.135 2.384 . 0 0 "[ . 1 . 2]" 2
524 1 139 LYS HD2 1 140 GLU H 4.000 . 5.000 4.992 4.086 5.170 0.170 7 0 "[ . 1 . 2]" 2
525 1 139 LYS HG2 1 140 GLU H 4.000 . 5.000 4.118 2.730 5.119 0.119 2 0 "[ . 1 . 2]" 2
526 1 139 LYS H 1 140 GLU H 4.000 . 5.000 4.263 3.957 4.408 . 0 0 "[ . 1 . 2]" 2
527 1 140 GLU H 1 141 LEU H 4.000 . 5.000 4.393 4.220 4.546 . 0 0 "[ . 1 . 2]" 2
528 1 142 ILE MG 1 143 GLU H 4.000 . 5.000 3.938 3.687 4.231 . 0 0 "[ . 1 . 2]" 2
529 1 143 GLU HA 1 144 ILE H 4.000 . 5.000 2.499 2.113 2.938 . 0 0 "[ . 1 . 2]" 2
530 1 144 ILE H 1 145 ASN H 4.000 . 5.000 3.636 2.723 4.637 . 0 0 "[ . 1 . 2]" 2
531 1 145 ASN QB 1 146 LEU H 4.000 . 5.000 3.554 2.187 4.058 . 0 0 "[ . 1 . 2]" 2
532 1 146 LEU HA 1 147 GLU H 4.000 . 5.000 2.934 2.135 3.573 . 0 0 "[ . 1 . 2]" 2
533 1 146 LEU QB 1 147 GLU H 4.000 . 5.000 2.870 1.772 4.038 0.028 13 0 "[ . 1 . 2]" 2
534 1 6 TYR HA 1 95 LEU H 3.000 . 4.000 3.658 3.201 4.044 0.044 9 0 "[ . 1 . 2]" 2
535 1 10 SER HA 1 91 TYR H 3.000 . 4.000 3.342 2.793 4.027 0.027 4 0 "[ . 1 . 2]" 2
536 1 9 ILE H 1 91 TYR H 3.000 . 4.000 3.420 3.222 3.637 . 0 0 "[ . 1 . 2]" 2
537 1 90 GLY H 1 91 TYR H 4.000 . 5.000 4.255 4.151 4.384 . 0 0 "[ . 1 . 2]" 2
538 1 91 TYR H 1 92 ILE H 4.000 . 5.000 4.461 4.251 4.558 . 0 0 "[ . 1 . 2]" 2
539 1 92 ILE H 1 93 TYR H 4.000 . 5.000 4.289 4.055 4.476 . 0 0 "[ . 1 . 2]" 2
540 1 93 TYR H 1 94 VAL H 4.000 . 5.000 4.419 4.290 4.545 . 0 0 "[ . 1 . 2]" 2
541 1 94 VAL H 1 95 LEU H 4.000 . 5.000 4.387 4.210 4.473 . 0 0 "[ . 1 . 2]" 2
542 1 88 GLU HA 1 144 ILE HA 3.000 . 4.000 3.927 3.322 4.078 0.078 15 0 "[ . 1 . 2]" 2
543 1 88 GLU HA 1 144 ILE H 3.000 . 4.000 3.942 3.565 4.150 0.150 5 0 "[ . 1 . 2]" 2
544 1 20 GLN QG 1 21 LEU H 5.000 . 6.000 3.446 1.806 4.658 . 0 0 "[ . 1 . 2]" 2
545 1 20 GLN H 1 21 LEU MD2 5.000 . 6.000 5.330 4.134 6.021 0.021 15 0 "[ . 1 . 2]" 2
546 1 30 VAL HB 1 31 ALA H 5.000 . 6.000 3.740 1.793 4.442 0.007 6 0 "[ . 1 . 2]" 2
547 1 30 VAL QG 1 31 ALA H 5.000 . 6.000 3.044 1.709 3.785 0.091 4 0 "[ . 1 . 2]" 2
548 1 29 GLU H 1 30 VAL H 5.000 . 6.000 3.703 2.281 4.497 . 0 0 "[ . 1 . 2]" 2
549 1 33 ARG HA 1 34 TYR H 5.000 . 6.000 2.501 2.163 3.515 . 0 0 "[ . 1 . 2]" 2
550 1 50 VAL HA 1 51 LYS H 5.000 . 6.000 2.993 2.432 3.580 . 0 0 "[ . 1 . 2]" 2
551 1 58 GLN HG3 1 59 ILE H 5.000 . 6.000 4.129 2.317 5.084 . 0 0 "[ . 1 . 2]" 2
552 1 58 GLN HA 1 62 GLY H 3.000 . 4.000 3.383 2.547 4.011 0.011 4 0 "[ . 1 . 2]" 2
553 1 63 LEU H 1 64 TYR H 3.000 . 4.000 3.280 2.081 4.227 0.227 10 0 "[ . 1 . 2]" 2
554 1 64 TYR H 1 65 ASP H 3.000 . 4.000 2.969 1.977 4.065 0.065 3 0 "[ . 1 . 2]" 2
555 1 64 TYR HA 1 65 ASP H 3.000 . 4.000 2.927 2.251 3.532 . 0 0 "[ . 1 . 2]" 2
556 1 63 LEU H 1 65 ASP H 4.000 . 5.000 4.696 3.642 5.154 0.154 13 0 "[ . 1 . 2]" 2
557 1 63 LEU HA 1 65 ASP H 4.000 . 5.000 4.162 2.769 5.106 0.106 7 0 "[ . 1 . 2]" 2
558 1 67 CYS HB2 1 68 TYR H 5.000 . 6.000 3.415 2.349 4.271 . 0 0 "[ . 1 . 2]" 2
559 1 67 CYS H 1 68 TYR H 3.000 . 4.000 2.642 2.194 2.933 . 0 0 "[ . 1 . 2]" 2
560 1 69 ILE H 1 123 ILE H 3.000 . 4.000 3.560 3.107 3.906 . 0 0 "[ . 1 . 2]" 2
561 1 70 SER HA 1 123 ILE H 3.000 . 4.000 3.150 2.467 3.715 . 0 0 "[ . 1 . 2]" 2
562 1 79 LYS H 1 81 PHE H 3.000 . 4.000 4.102 4.062 4.155 0.155 9 0 "[ . 1 . 2]" 2
563 1 79 LYS H 1 80 LYS H 3.000 . 4.000 2.482 2.337 2.586 . 0 0 "[ . 1 . 2]" 2
564 1 78 ALA H 1 80 LYS H 3.000 . 4.000 4.056 3.905 4.140 0.140 1 0 "[ . 1 . 2]" 2
565 1 80 LYS H 1 81 PHE H 3.000 . 4.000 2.695 2.611 2.766 . 0 0 "[ . 1 . 2]" 2
566 1 80 LYS H 1 82 ALA H 4.000 . 5.000 4.251 4.090 4.409 . 0 0 "[ . 1 . 2]" 2
567 1 7 ARG H 1 93 TYR HB3 5.000 . 6.000 5.545 4.277 6.033 0.033 2 0 "[ . 1 . 2]" 2
568 1 93 TYR QD 1 94 VAL H 5.000 . 6.000 4.012 3.126 4.470 . 0 0 "[ . 1 . 2]" 2
569 1 102 GLN HE22 1 103 TYR H 5.000 . 6.000 5.894 4.489 6.060 0.060 11 0 "[ . 1 . 2]" 2
570 1 101 GLY H 1 102 GLN H 3.000 . 4.000 2.730 2.667 2.843 . 0 0 "[ . 1 . 2]" 2
571 1 103 TYR HA 1 104 SER H 3.000 . 4.000 3.413 3.342 3.451 . 0 0 "[ . 1 . 2]" 2
572 1 104 SER HA 1 105 ILE H 3.000 . 4.000 2.824 2.652 2.970 . 0 0 "[ . 1 . 2]" 2
573 1 103 TYR H 1 104 SER HA 4.000 . 5.000 4.758 4.600 4.869 . 0 0 "[ . 1 . 2]" 2
574 1 100 PHE HA 1 104 SER HA 5.000 . 6.000 5.799 5.359 6.035 0.035 7 0 "[ . 1 . 2]" 2
575 1 100 PHE HA 1 103 TYR H 3.000 . 4.000 3.249 3.025 3.439 . 0 0 "[ . 1 . 2]" 2
576 1 100 PHE QD 1 103 TYR QD 4.000 . 5.000 3.203 2.173 3.877 . 0 0 "[ . 1 . 2]" 2
577 1 100 PHE QE 1 103 TYR QE 4.000 . 5.000 4.926 3.902 5.099 0.099 12 0 "[ . 1 . 2]" 2
578 1 100 PHE HA 1 103 TYR QB 3.000 . 4.000 2.362 1.964 2.804 . 0 0 "[ . 1 . 2]" 2
579 1 99 LEU HA 1 102 GLN QB 3.000 . 4.000 2.776 2.438 3.461 . 0 0 "[ . 1 . 2]" 2
580 1 99 LEU HA 1 102 GLN H 3.000 . 4.000 3.408 3.141 3.838 . 0 0 "[ . 1 . 2]" 2
581 1 109 GLU H 1 122 THR H 5.000 . 6.000 4.639 4.245 4.963 . 0 0 "[ . 1 . 2]" 2
582 1 112 HIS H 1 113 PRO QD 5.000 . 6.000 4.444 4.419 4.473 . 0 0 "[ . 1 . 2]" 2
583 1 113 PRO HA 1 114 GLU HA 4.000 . 5.000 4.158 4.105 4.212 . 0 0 "[ . 1 . 2]" 2
584 1 116 PRO QB 1 117 ASN H 3.000 . 4.000 2.756 2.624 2.949 . 0 0 "[ . 1 . 2]" 2
585 1 114 GLU HA 1 117 ASN H 5.000 . 6.000 4.754 4.218 5.168 . 0 0 "[ . 1 . 2]" 2
586 1 118 GLU H 1 119 LYS H 5.000 . 6.000 4.337 4.082 4.520 . 0 0 "[ . 1 . 2]" 2
587 1 120 GLU H 1 121 VAL H 5.000 . 6.000 4.336 4.126 4.531 . 0 0 "[ . 1 . 2]" 2
588 1 71 THR H 1 121 VAL HB 5.000 . 6.000 4.143 3.290 5.643 . 0 0 "[ . 1 . 2]" 2
589 1 109 GLU H 1 121 VAL QG 5.000 . 6.000 4.061 3.414 4.493 . 0 0 "[ . 1 . 2]" 2
590 1 124 ARG QD 1 125 ALA H 5.000 . 6.000 4.936 3.315 5.883 . 0 0 "[ . 1 . 2]" 2
591 1 129 GLY HA2 1 130 CYS H 4.000 . 5.000 2.690 2.481 3.002 . 0 0 "[ . 1 . 2]" 2
592 1 129 GLY HA3 1 130 CYS H 4.000 . 5.000 3.547 3.478 3.572 . 0 0 "[ . 1 . 2]" 2
593 1 54 VAL QG 1 129 GLY H 5.000 . 6.000 5.753 4.746 6.097 0.097 5 0 "[ . 1 . 2]" 2
594 1 129 GLY H 1 130 CYS H 3.000 . 4.000 2.540 2.290 2.831 . 0 0 "[ . 1 . 2]" 2
595 1 129 GLY H 1 131 ILE H 4.000 . 5.000 4.755 4.562 5.019 0.019 11 0 "[ . 1 . 2]" 2
596 1 68 TYR HA 1 129 GLY H 5.000 . 6.000 4.842 4.128 6.021 0.021 6 0 "[ . 1 . 2]" 2
597 1 68 TYR HA 1 130 CYS H 5.000 . 6.000 5.069 4.262 6.043 0.043 6 0 "[ . 1 . 2]" 2
598 1 129 GLY H 1 130 CYS HA 4.000 . 5.000 4.743 4.542 5.024 0.024 3 0 "[ . 1 . 2]" 2
599 1 125 ALA MB 1 129 GLY H 5.000 . 6.000 4.068 2.670 5.103 . 0 0 "[ . 1 . 2]" 2
600 1 130 CYS H 1 135 VAL QG 5.000 . 6.000 5.404 4.259 6.076 0.076 13 0 "[ . 1 . 2]" 2
601 1 132 PRO HA 1 134 GLU H 3.000 . 4.000 3.466 3.240 3.775 . 0 0 "[ . 1 . 2]" 2
602 1 132 PRO HA 1 135 VAL H 4.000 . 5.000 4.685 4.456 4.984 . 0 0 "[ . 1 . 2]" 2
603 1 134 GLU H 1 136 ILE H 4.000 . 5.000 4.492 4.075 4.920 . 0 0 "[ . 1 . 2]" 2
604 1 138 ALA H 1 139 LYS H 5.000 . 6.000 4.331 4.103 4.419 . 0 0 "[ . 1 . 2]" 2
605 1 139 LYS HG3 1 140 GLU H 5.000 . 6.000 4.302 2.715 5.561 . 0 0 "[ . 1 . 2]" 2
606 1 142 ILE H 1 143 GLU H 5.000 . 6.000 4.287 4.094 4.410 . 0 0 "[ . 1 . 2]" 2
607 1 116 PRO QB 1 118 GLU H 3.000 . 4.000 2.785 2.599 2.999 . 0 0 "[ . 1 . 2]" 2
608 1 116 PRO QG 1 118 GLU H 4.000 . 5.000 4.740 4.543 4.895 . 0 0 "[ . 1 . 2]" 2
609 1 116 PRO QD 1 118 GLU H 5.000 . 6.000 4.763 4.184 5.129 . 0 0 "[ . 1 . 2]" 2
610 1 113 PRO QB 1 116 PRO QD 3.000 . 4.000 2.234 2.129 2.332 . 0 0 "[ . 1 . 2]" 2
611 1 113 PRO QG 1 116 PRO QD 3.000 . 4.000 3.913 3.769 4.014 0.014 16 0 "[ . 1 . 2]" 2
612 1 113 PRO QD 1 116 PRO QD 3.000 . 4.000 3.991 3.838 4.118 0.118 5 0 "[ . 1 . 2]" 2
613 1 113 PRO QB 1 116 PRO QG 3.000 . 4.000 1.919 1.740 2.220 0.060 7 0 "[ . 1 . 2]" 2
614 1 113 PRO QG 1 116 PRO QG 3.000 . 4.000 2.842 2.551 3.090 . 0 0 "[ . 1 . 2]" 2
615 1 113 PRO QD 1 116 PRO QG 3.000 . 4.000 2.418 2.113 2.935 . 0 0 "[ . 1 . 2]" 2
616 1 113 PRO QG 1 116 PRO QB 4.000 . 5.000 4.418 4.007 4.818 . 0 0 "[ . 1 . 2]" 2
617 1 113 PRO QD 1 116 PRO QB 3.000 . 4.000 3.397 3.074 3.862 . 0 0 "[ . 1 . 2]" 2
618 1 113 PRO HA 1 114 GLU H 3.000 . 4.000 2.409 2.251 2.486 . 0 0 "[ . 1 . 2]" 2
619 1 115 ASN H 1 116 PRO QD 3.000 . 4.000 2.036 1.857 2.152 . 0 0 "[ . 1 . 2]" 2
620 1 116 PRO QD 1 117 ASN H 3.000 . 4.000 3.126 2.919 3.337 . 0 0 "[ . 1 . 2]" 2
621 1 115 ASN H 1 116 PRO QG 4.000 . 5.000 4.000 3.851 4.115 . 0 0 "[ . 1 . 2]" 2
622 1 118 GLU H 1 119 LYS HA 5.000 . 6.000 5.040 4.751 5.263 . 0 0 "[ . 1 . 2]" 2
623 1 113 PRO QB 1 115 ASN H 3.000 . 4.000 3.532 3.236 3.818 . 0 0 "[ . 1 . 2]" 2
624 1 113 PRO QG 1 115 ASN H 5.000 . 6.000 5.544 5.251 5.831 . 0 0 "[ . 1 . 2]" 2
625 1 112 HIS HA 1 113 PRO QD 3.000 . 4.000 2.383 2.242 2.629 . 0 0 "[ . 1 . 2]" 2
626 1 112 HIS HA 1 113 PRO QG 4.000 . 5.000 4.251 4.132 4.465 . 0 0 "[ . 1 . 2]" 2
627 1 112 HIS HA 1 113 PRO HA 4.000 . 5.000 4.511 4.424 4.612 . 0 0 "[ . 1 . 2]" 2
628 1 115 ASN H 1 117 ASN H 4.000 . 5.000 4.164 3.787 4.347 . 0 0 "[ . 1 . 2]" 2
629 1 115 ASN HA 1 117 ASN H 3.000 . 4.000 3.124 2.894 3.407 . 0 0 "[ . 1 . 2]" 2
630 1 115 ASN HA 1 117 ASN HA 4.000 . 5.000 3.771 3.524 3.952 . 0 0 "[ . 1 . 2]" 2
631 1 114 GLU HA 1 115 ASN HA 4.000 . 5.000 4.490 4.440 4.569 . 0 0 "[ . 1 . 2]" 2
632 1 117 ASN H 1 118 GLU H 3.000 . 4.000 2.603 2.482 2.824 . 0 0 "[ . 1 . 2]" 2
633 1 112 HIS H 1 120 GLU H 4.000 . 5.000 4.207 3.439 5.013 0.013 9 0 "[ . 1 . 2]" 2
634 1 111 GLU HA 1 112 HIS H 3.000 . 4.000 2.139 2.067 2.327 . 0 0 "[ . 1 . 2]" 2
635 1 132 PRO QB 1 133 GLU H 3.000 . 4.000 3.522 3.249 3.678 . 0 0 "[ . 1 . 2]" 2
636 1 132 PRO QB 1 134 GLU H 3.000 . 4.000 2.993 2.615 3.558 . 0 0 "[ . 1 . 2]" 2
637 1 132 PRO QG 1 134 GLU H 5.000 . 6.000 4.599 4.206 5.134 . 0 0 "[ . 1 . 2]" 2
638 1 132 PRO QD 1 135 VAL H 4.000 . 5.000 4.715 4.169 5.043 0.043 9 0 "[ . 1 . 2]" 2
639 1 132 PRO QG 1 135 VAL H 3.000 . 4.000 3.729 3.293 4.044 0.044 19 0 "[ . 1 . 2]" 2
640 1 132 PRO QB 1 135 VAL H 3.000 . 4.000 3.063 2.674 3.424 . 0 0 "[ . 1 . 2]" 2
641 1 87 ILE MD 1 142 ILE MD 4.000 . 5.000 4.520 1.805 5.044 0.044 1 0 "[ . 1 . 2]" 2
642 1 87 ILE MD 1 142 ILE MG 4.000 . 5.000 3.643 1.801 4.694 . 0 0 "[ . 1 . 2]" 2
643 1 87 ILE MG 1 142 ILE MD 4.000 . 5.000 3.450 1.898 5.055 0.055 19 0 "[ . 1 . 2]" 2
644 1 87 ILE MG 1 142 ILE MG 4.000 . 5.000 2.671 1.925 4.231 . 0 0 "[ . 1 . 2]" 2
645 1 87 ILE MD 1 92 ILE MD 4.000 . 5.000 3.892 1.979 5.041 0.041 16 0 "[ . 1 . 2]" 2
646 1 87 ILE MD 1 92 ILE MG 4.000 . 5.000 3.174 1.853 4.993 . 0 0 "[ . 1 . 2]" 2
647 1 87 ILE MG 1 92 ILE MD 4.000 . 5.000 3.176 1.795 4.718 0.005 2 0 "[ . 1 . 2]" 2
648 1 87 ILE MG 1 92 ILE MG 4.000 . 5.000 2.869 1.779 4.674 0.021 11 0 "[ . 1 . 2]" 2
649 1 6 TYR QE 1 81 PHE QE 4.000 . 5.000 4.407 2.833 5.051 0.051 8 0 "[ . 1 . 2]" 2
650 1 6 TYR QD 1 81 PHE QD 4.000 . 5.000 2.545 1.944 4.097 . 0 0 "[ . 1 . 2]" 2
651 1 81 PHE QE 1 92 ILE MD 5.000 . 6.000 5.466 2.083 6.079 0.079 16 0 "[ . 1 . 2]" 2
652 1 81 PHE QE 1 92 ILE MG 5.000 . 6.000 4.185 3.309 5.808 . 0 0 "[ . 1 . 2]" 2
653 1 6 TYR QD 1 77 ILE MD 5.000 . 6.000 4.606 3.465 5.581 . 0 0 "[ . 1 . 2]" 2
654 1 6 TYR QD 1 77 ILE MG 5.000 . 6.000 4.382 2.886 5.275 . 0 0 "[ . 1 . 2]" 2
655 1 4 PHE QD 1 77 ILE MD 5.000 . 6.000 5.784 4.834 6.068 0.068 17 0 "[ . 1 . 2]" 2
656 1 4 PHE QD 1 77 ILE MG 5.000 . 6.000 4.491 3.463 5.353 . 0 0 "[ . 1 . 2]" 2
657 1 81 PHE QE 1 87 ILE MD 5.000 . 6.000 3.977 2.364 6.034 0.034 9 0 "[ . 1 . 2]" 2
658 1 81 PHE QD 1 87 ILE MD 5.000 . 6.000 4.734 2.868 6.026 0.026 3 0 "[ . 1 . 2]" 2
659 1 81 PHE QE 1 87 ILE MG 5.000 . 6.000 4.292 2.746 6.000 . 0 0 "[ . 1 . 2]" 2
660 1 81 PHE QD 1 87 ILE MG 5.000 . 6.000 4.748 3.600 5.703 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 86
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 564.006
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0164
_Distance_constraint_stats_list.Viol_average_violations_only 0.0502
_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 LEU 0.741 0.075 7 0 "[ . 1 . 2]"
1 7 ARG 1.087 0.131 4 0 "[ . 1 . 2]"
1 9 ILE 1.301 0.131 16 0 "[ . 1 . 2]"
1 11 CYS 0.751 0.089 8 0 "[ . 1 . 2]"
1 12 GLN 0.283 0.072 2 0 "[ . 1 . 2]"
1 13 GLN 0.123 0.034 17 0 "[ . 1 . 2]"
1 14 ASP 0.104 0.042 17 0 "[ . 1 . 2]"
1 15 GLU 0.989 0.089 8 0 "[ . 1 . 2]"
1 16 GLN 0.283 0.072 2 0 "[ . 1 . 2]"
1 17 ASN 0.123 0.034 17 0 "[ . 1 . 2]"
1 18 ASN 0.104 0.042 17 0 "[ . 1 . 2]"
1 19 GLY 0.238 0.068 4 0 "[ . 1 . 2]"
1 50 VAL 1.207 0.111 9 0 "[ . 1 . 2]"
1 51 LYS 1.583 0.130 5 0 "[ . 1 . 2]"
1 52 ASN 0.120 0.051 4 0 "[ . 1 . 2]"
1 53 ALA 0.637 0.080 13 0 "[ . 1 . 2]"
1 54 VAL 1.634 0.111 9 0 "[ . 1 . 2]"
1 55 TYR 2.469 0.130 5 0 "[ . 1 . 2]"
1 56 ALA 0.264 0.059 3 0 "[ . 1 . 2]"
1 57 HIS 1.461 0.118 11 0 "[ . 1 . 2]"
1 58 GLN 0.427 0.085 10 0 "[ . 1 . 2]"
1 59 ILE 0.887 0.074 2 0 "[ . 1 . 2]"
1 60 GLU 0.144 0.059 3 0 "[ . 1 . 2]"
1 61 THR 0.824 0.118 11 0 "[ . 1 . 2]"
1 69 ILE 2.129 0.162 3 0 "[ . 1 . 2]"
1 71 THR 0.678 0.085 8 0 "[ . 1 . 2]"
1 77 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 1.086 0.064 10 0 "[ . 1 . 2]"
1 79 LYS 0.792 0.068 16 0 "[ . 1 . 2]"
1 80 LYS 0.738 0.114 9 0 "[ . 1 . 2]"
1 81 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 1.086 0.064 10 0 "[ . 1 . 2]"
1 83 THR 0.792 0.068 16 0 "[ . 1 . 2]"
1 84 SER 0.738 0.114 9 0 "[ . 1 . 2]"
1 88 GLU 0.119 0.060 17 0 "[ . 1 . 2]"
1 90 GLY 0.706 0.076 1 0 "[ . 1 . 2]"
1 91 TYR 1.301 0.131 16 0 "[ . 1 . 2]"
1 92 ILE 0.037 0.020 19 0 "[ . 1 . 2]"
1 93 TYR 1.087 0.131 4 0 "[ . 1 . 2]"
1 94 VAL 5.135 0.203 5 0 "[ . 1 . 2]"
1 95 LEU 0.741 0.075 7 0 "[ . 1 . 2]"
1 98 ASP 0.256 0.052 11 0 "[ . 1 . 2]"
1 99 LEU 0.204 0.061 6 0 "[ . 1 . 2]"
1 100 PHE 1.099 0.086 11 0 "[ . 1 . 2]"
1 102 GLN 0.256 0.052 11 0 "[ . 1 . 2]"
1 103 TYR 0.204 0.061 6 0 "[ . 1 . 2]"
1 104 SER 1.099 0.086 11 0 "[ . 1 . 2]"
1 106 PHE 3.387 0.255 12 0 "[ . 1 . 2]"
1 108 TYR 0.827 0.091 4 0 "[ . 1 . 2]"
1 110 VAL 0.550 0.107 8 0 "[ . 1 . 2]"
1 120 GLU 0.550 0.107 8 0 "[ . 1 . 2]"
1 121 VAL 0.678 0.085 8 0 "[ . 1 . 2]"
1 122 THR 0.827 0.091 4 0 "[ . 1 . 2]"
1 123 ILE 2.129 0.162 3 0 "[ . 1 . 2]"
1 124 ARG 3.387 0.255 12 0 "[ . 1 . 2]"
1 138 ALA 5.135 0.203 5 0 "[ . 1 . 2]"
1 140 GLU 0.037 0.020 19 0 "[ . 1 . 2]"
1 142 ILE 0.706 0.076 1 0 "[ . 1 . 2]"
1 144 ILE 0.119 0.060 17 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 5 LEU N 1 95 LEU O 2.700 2.200 3.000 2.813 2.702 3.038 0.038 5 0 "[ . 1 . 2]" 3
2 1 5 LEU H 1 95 LEU O 1.700 . 2.000 1.900 1.787 2.075 0.075 5 0 "[ . 1 . 2]" 3
3 1 5 LEU O 1 95 LEU N 2.700 2.200 3.000 2.964 2.894 3.050 0.050 7 0 "[ . 1 . 2]" 3
4 1 5 LEU O 1 95 LEU H 1.700 . 2.000 1.999 1.937 2.075 0.075 7 0 "[ . 1 . 2]" 3
5 1 7 ARG N 1 93 TYR O 2.700 2.200 3.000 2.967 2.826 3.058 0.058 17 0 "[ . 1 . 2]" 3
6 1 7 ARG H 1 93 TYR O 1.700 . 2.000 2.028 1.890 2.131 0.131 4 0 "[ . 1 . 2]" 3
7 1 7 ARG O 1 93 TYR N 2.700 2.200 3.000 2.794 2.700 3.003 0.003 20 0 "[ . 1 . 2]" 3
8 1 7 ARG O 1 93 TYR H 1.700 . 2.000 1.867 1.774 2.080 0.080 20 0 "[ . 1 . 2]" 3
9 1 9 ILE N 1 91 TYR O 2.700 2.200 3.000 2.778 2.674 2.903 . 0 0 "[ . 1 . 2]" 3
10 1 9 ILE H 1 91 TYR O 1.700 . 2.000 1.837 1.760 1.997 . 0 0 "[ . 1 . 2]" 3
11 1 9 ILE O 1 91 TYR N 2.700 2.200 3.000 2.919 2.772 2.998 . 0 0 "[ . 1 . 2]" 3
12 1 9 ILE O 1 91 TYR H 1.700 . 2.000 2.062 1.964 2.131 0.131 16 0 "[ . 1 . 2]" 3
13 1 94 VAL O 1 138 ALA N 2.700 2.200 3.000 3.112 3.050 3.157 0.157 5 0 "[ . 1 . 2]" 3
14 1 94 VAL O 1 138 ALA H 1.700 . 2.000 2.144 2.088 2.203 0.203 5 0 "[ . 1 . 2]" 3
15 1 94 VAL N 1 138 ALA O 2.700 2.200 3.000 2.804 2.724 2.952 . 0 0 "[ . 1 . 2]" 3
16 1 94 VAL H 1 138 ALA O 1.700 . 2.000 1.852 1.779 2.014 0.014 15 0 "[ . 1 . 2]" 3
17 1 92 ILE O 1 140 GLU N 2.700 2.200 3.000 2.803 2.714 2.982 . 0 0 "[ . 1 . 2]" 3
18 1 92 ILE O 1 140 GLU H 1.700 . 2.000 1.873 1.773 2.013 0.013 19 0 "[ . 1 . 2]" 3
19 1 92 ILE N 1 140 GLU O 2.700 2.200 3.000 2.876 2.736 2.974 . 0 0 "[ . 1 . 2]" 3
20 1 92 ILE H 1 140 GLU O 1.700 . 2.000 1.923 1.831 2.020 0.020 19 0 "[ . 1 . 2]" 3
21 1 90 GLY O 1 142 ILE N 2.700 2.200 3.000 2.941 2.858 3.017 0.017 17 0 "[ . 1 . 2]" 3
22 1 90 GLY O 1 142 ILE H 1.700 . 2.000 1.982 1.902 2.075 0.075 17 0 "[ . 1 . 2]" 3
23 1 90 GLY N 1 142 ILE O 2.700 2.200 3.000 2.905 2.819 3.039 0.039 1 0 "[ . 1 . 2]" 3
24 1 90 GLY H 1 142 ILE O 1.700 . 2.000 1.988 1.906 2.076 0.076 1 0 "[ . 1 . 2]" 3
25 1 88 GLU O 1 144 ILE N 2.700 2.200 3.000 2.686 2.564 2.832 . 0 0 "[ . 1 . 2]" 3
26 1 88 GLU O 1 144 ILE H 1.700 . 2.000 1.884 1.785 2.060 0.060 17 0 "[ . 1 . 2]" 3
27 1 106 PHE N 1 124 ARG O 2.700 2.200 3.000 2.920 2.789 3.043 0.043 10 0 "[ . 1 . 2]" 3
28 1 106 PHE H 1 124 ARG O 1.700 . 2.000 2.167 2.073 2.255 0.255 12 0 "[ . 1 . 2]" 3
29 1 106 PHE O 1 124 ARG N 2.700 2.200 3.000 2.701 2.596 2.859 . 0 0 "[ . 1 . 2]" 3
30 1 106 PHE O 1 124 ARG H 1.700 . 2.000 1.854 1.775 1.921 . 0 0 "[ . 1 . 2]" 3
31 1 108 TYR N 1 122 THR O 2.700 2.200 3.000 2.894 2.685 3.013 0.013 13 0 "[ . 1 . 2]" 3
32 1 108 TYR H 1 122 THR O 1.700 . 2.000 1.995 1.793 2.081 0.081 15 0 "[ . 1 . 2]" 3
33 1 108 TYR O 1 122 THR N 2.700 2.200 3.000 2.792 2.621 2.936 . 0 0 "[ . 1 . 2]" 3
34 1 108 TYR O 1 122 THR H 1.700 . 2.000 1.977 1.840 2.091 0.091 4 0 "[ . 1 . 2]" 3
35 1 110 VAL N 1 120 GLU O 2.700 2.200 3.000 2.809 2.675 2.942 . 0 0 "[ . 1 . 2]" 3
36 1 110 VAL H 1 120 GLU O 1.700 . 2.000 1.940 1.785 2.012 0.012 2 0 "[ . 1 . 2]" 3
37 1 110 VAL O 1 120 GLU N 2.700 2.200 3.000 2.847 2.696 3.008 0.008 17 0 "[ . 1 . 2]" 3
38 1 110 VAL O 1 120 GLU H 1.700 . 2.000 2.017 1.940 2.107 0.107 8 0 "[ . 1 . 2]" 3
39 1 69 ILE N 1 123 ILE O 2.700 2.200 3.000 3.027 2.951 3.122 0.122 3 0 "[ . 1 . 2]" 3
40 1 69 ILE H 1 123 ILE O 1.700 . 2.000 2.076 2.020 2.162 0.162 3 0 "[ . 1 . 2]" 3
41 1 69 ILE O 1 123 ILE N 2.700 2.200 3.000 2.749 2.615 2.839 . 0 0 "[ . 1 . 2]" 3
42 1 69 ILE O 1 123 ILE H 1.700 . 2.000 1.830 1.740 1.920 . 0 0 "[ . 1 . 2]" 3
43 1 71 THR N 1 121 VAL O 2.700 2.200 3.000 2.923 2.799 3.012 0.012 19 0 "[ . 1 . 2]" 3
44 1 71 THR H 1 121 VAL O 1.700 . 2.000 1.999 1.850 2.077 0.077 4 0 "[ . 1 . 2]" 3
45 1 71 THR O 1 121 VAL N 2.700 2.200 3.000 2.728 2.542 2.833 . 0 0 "[ . 1 . 2]" 3
46 1 71 THR O 1 121 VAL H 1.700 . 2.000 1.946 1.865 2.085 0.085 8 0 "[ . 1 . 2]" 3
47 1 50 VAL O 1 54 VAL N 2.700 2.200 3.000 2.991 2.803 3.089 0.089 4 0 "[ . 1 . 2]" 3
48 1 50 VAL O 1 54 VAL H 1.700 . 2.000 2.032 1.849 2.111 0.111 9 0 "[ . 1 . 2]" 3
49 1 51 LYS O 1 55 TYR N 2.700 2.200 3.000 2.992 2.655 3.099 0.099 5 0 "[ . 1 . 2]" 3
50 1 51 LYS O 1 55 TYR H 1.700 . 2.000 2.044 1.757 2.130 0.130 5 0 "[ . 1 . 2]" 3
51 1 52 ASN O 1 56 ALA N 2.700 2.200 3.000 2.824 2.698 3.025 0.025 4 0 "[ . 1 . 2]" 3
52 1 52 ASN O 1 56 ALA H 1.700 . 2.000 1.891 1.795 2.051 0.051 4 0 "[ . 1 . 2]" 3
53 1 53 ALA O 1 57 HIS N 2.700 2.200 3.000 2.947 2.819 3.034 0.034 18 0 "[ . 1 . 2]" 3
54 1 53 ALA O 1 57 HIS H 1.700 . 2.000 2.015 1.918 2.080 0.080 13 0 "[ . 1 . 2]" 3
55 1 54 VAL O 1 58 GLN N 2.700 2.200 3.000 2.888 2.761 3.055 0.055 10 0 "[ . 1 . 2]" 3
56 1 54 VAL O 1 58 GLN H 1.700 . 2.000 1.979 1.838 2.085 0.085 10 0 "[ . 1 . 2]" 3
57 1 55 TYR O 1 59 ILE N 2.700 2.200 3.000 2.954 2.802 3.044 0.044 8 0 "[ . 1 . 2]" 3
58 1 55 TYR O 1 59 ILE H 1.700 . 2.000 2.022 1.886 2.074 0.074 2 0 "[ . 1 . 2]" 3
59 1 56 ALA O 1 60 GLU N 2.700 2.200 3.000 2.806 2.562 2.927 . 0 0 "[ . 1 . 2]" 3
60 1 56 ALA O 1 60 GLU H 1.700 . 2.000 1.917 1.816 2.059 0.059 3 0 "[ . 1 . 2]" 3
61 1 57 HIS O 1 61 THR N 2.700 2.200 3.000 2.840 2.689 3.026 0.026 4 0 "[ . 1 . 2]" 3
62 1 57 HIS O 1 61 THR H 1.700 . 2.000 2.026 1.911 2.118 0.118 11 0 "[ . 1 . 2]" 3
63 1 11 CYS O 1 15 GLU N 2.700 2.200 3.000 2.965 2.697 3.037 0.037 7 0 "[ . 1 . 2]" 3
64 1 11 CYS O 1 15 GLU H 1.700 . 2.000 2.011 1.738 2.089 0.089 8 0 "[ . 1 . 2]" 3
65 1 12 GLN O 1 16 GLN N 2.700 2.200 3.000 2.914 2.796 3.020 0.020 16 0 "[ . 1 . 2]" 3
66 1 12 GLN O 1 16 GLN H 1.700 . 2.000 1.974 1.873 2.072 0.072 2 0 "[ . 1 . 2]" 3
67 1 13 GLN O 1 17 ASN N 2.700 2.200 3.000 2.836 2.704 2.963 . 0 0 "[ . 1 . 2]" 3
68 1 13 GLN O 1 17 ASN H 1.700 . 2.000 1.978 1.862 2.034 0.034 17 0 "[ . 1 . 2]" 3
69 1 14 ASP O 1 18 ASN N 2.700 2.200 3.000 2.853 2.738 2.983 . 0 0 "[ . 1 . 2]" 3
70 1 14 ASP O 1 18 ASN H 1.700 . 2.000 1.949 1.835 2.042 0.042 17 0 "[ . 1 . 2]" 3
71 1 15 GLU O 1 19 GLY N 2.700 2.200 3.000 2.694 2.595 2.759 . 0 0 "[ . 1 . 2]" 3
72 1 15 GLU O 1 19 GLY H 1.700 . 2.000 1.968 1.861 2.068 0.068 4 0 "[ . 1 . 2]" 3
73 1 77 ILE O 1 81 PHE N 2.700 2.200 3.000 2.738 2.694 2.794 . 0 0 "[ . 1 . 2]" 3
74 1 77 ILE O 1 81 PHE H 1.700 . 2.000 1.826 1.791 1.882 . 0 0 "[ . 1 . 2]" 3
75 1 78 ALA O 1 82 ALA N 2.700 2.200 3.000 2.994 2.906 3.029 0.029 17 0 "[ . 1 . 2]" 3
76 1 78 ALA O 1 82 ALA H 1.700 . 2.000 2.045 1.987 2.064 0.064 10 0 "[ . 1 . 2]" 3
77 1 79 LYS O 1 83 THR N 2.700 2.200 3.000 2.990 2.895 3.031 0.031 16 0 "[ . 1 . 2]" 3
78 1 79 LYS O 1 83 THR H 1.700 . 2.000 2.029 1.953 2.068 0.068 16 0 "[ . 1 . 2]" 3
79 1 80 LYS O 1 84 SER N 2.700 2.200 3.000 2.954 2.865 3.031 0.031 9 0 "[ . 1 . 2]" 3
80 1 80 LYS O 1 84 SER H 1.700 . 2.000 2.029 1.935 2.114 0.114 9 0 "[ . 1 . 2]" 3
81 1 98 ASP O 1 102 GLN N 2.700 2.200 3.000 2.895 2.767 2.989 . 0 0 "[ . 1 . 2]" 3
82 1 98 ASP O 1 102 GLN H 1.700 . 2.000 1.987 1.882 2.052 0.052 11 0 "[ . 1 . 2]" 3
83 1 99 LEU O 1 103 TYR N 2.700 2.200 3.000 2.893 2.800 2.989 . 0 0 "[ . 1 . 2]" 3
84 1 99 LEU O 1 103 TYR H 1.700 . 2.000 1.979 1.887 2.061 0.061 6 0 "[ . 1 . 2]" 3
85 1 100 PHE O 1 104 SER N 2.700 2.200 3.000 2.686 2.620 2.779 . 0 0 "[ . 1 . 2]" 3
86 1 100 PHE O 1 104 SER H 1.700 . 2.000 2.053 1.957 2.086 0.086 11 0 "[ . 1 . 2]" 3
stop_
save_
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