NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562511 |
2lt2   |
17957 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lt2
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 837
_Distance_constraint_stats_list.Viol_count 415
_Distance_constraint_stats_list.Viol_total 835.099
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.1006
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.294 0.199 16 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 2.194 0.100 6 0 "[ . 1 . 2]"
1 17 VAL 0.522 0.109 15 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.522 0.109 15 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLU 2.487 0.222 18 0 "[ . 1 . 2]"
1 25 LYS 3.555 0.276 10 0 "[ . 1 . 2]"
1 26 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 2.048 0.172 6 0 "[ . 1 . 2]"
1 28 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 3.496 0.164 6 0 "[ . 1 . 2]"
1 30 GLU 7.550 0.326 1 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.322 0.127 10 0 "[ . 1 . 2]"
1 34 HIS 0.120 0.045 8 0 "[ . 1 . 2]"
1 35 LEU 0.159 0.159 12 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 THR 0.454 0.073 9 0 "[ . 1 . 2]"
1 39 SER 2.813 0.145 11 0 "[ . 1 . 2]"
1 40 GLU 2.402 0.145 11 0 "[ . 1 . 2]"
1 41 ILE 0.309 0.309 4 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.309 0.309 4 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.883 0.133 12 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.007 0.007 1 0 "[ . 1 . 2]"
1 56 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 0.092 0.092 12 0 "[ . 1 . 2]"
1 59 THR 0.018 0.018 16 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.624 0.135 7 0 "[ . 1 . 2]"
1 64 GLY 0.091 0.086 4 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.100 0.073 3 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 0.045 0.041 9 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.311 0.058 9 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 0.002 0.002 6 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 GLY 2.761 0.212 19 0 "[ . 1 . 2]"
1 81 ASP 0.693 0.133 12 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 4.595 0.326 1 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 4.122 0.271 17 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.849 0.073 1 0 "[ . 1 . 2]"
1 93 TRP 6.883 0.271 17 0 "[ . 1 . 2]"
1 94 ASP 0.506 0.095 20 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 0.428 0.060 8 0 "[ . 1 . 2]"
1 97 ARG 0.252 0.095 20 0 "[ . 1 . 2]"
1 98 ASN 0.682 0.065 20 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LYS 2.112 0.169 17 0 "[ . 1 . 2]"
1 106 GLN 0.611 0.207 18 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.325 0.163 17 0 "[ . 1 . 2]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.325 0.163 17 0 "[ . 1 . 2]"
1 111 GLN 0.814 0.100 6 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.383 0.137 13 0 "[ . 1 . 2]"
1 115 ASP 0.272 0.137 13 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.112 0.112 10 0 "[ . 1 . 2]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 PHE 2.048 0.172 6 0 "[ . 1 . 2]"
1 129 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 TRP 4.853 0.222 18 0 "[ . 1 . 2]"
1 131 LYS 1.082 0.125 3 0 "[ . 1 . 2]"
1 132 LYS 2.365 0.197 4 0 "[ . 1 . 2]"
1 133 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 ILE 0.457 0.067 12 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LEU 0.092 0.092 12 0 "[ . 1 . 2]"
1 139 PRO 1.226 0.169 6 0 "[ . 1 . 2]"
1 140 ASN 0.265 0.112 13 0 "[ . 1 . 2]"
1 141 THR 1.492 0.169 6 0 "[ . 1 . 2]"
1 142 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LYS 0.159 0.159 12 0 "[ . 1 . 2]"
1 145 GLY 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 3 LYS HA 1 4 ILE H 3.580 . 4.080 2.926 2.163 3.594 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE H 1 4 ILE HB 4.090 . 4.590 3.021 2.292 3.774 . 0 0 "[ . 1 . 2]" 1
3 1 4 ILE H 1 4 ILE HG12 4.800 . 5.300 2.810 1.908 4.452 . 0 0 "[ . 1 . 2]" 1
4 1 4 ILE H 1 4 ILE HG13 3.740 . 4.240 2.845 2.075 4.439 0.199 16 0 "[ . 1 . 2]" 1
5 1 4 ILE HA 1 5 GLU H 3.380 . 3.880 3.052 2.182 3.582 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE MG 1 5 GLU H 4.650 . 5.150 3.548 1.988 4.104 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 5 GLU QB 3.380 . 3.880 2.288 2.119 3.143 . 0 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU QG 4.230 . 4.730 2.890 1.979 3.965 . 0 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 6 GLU H 4.400 . 4.900 2.933 2.007 4.667 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU QB 1 6 GLU H 3.800 . 4.300 2.696 1.901 3.916 . 0 0 "[ . 1 . 2]" 1
11 1 6 GLU H 1 6 GLU QG 4.020 . 4.520 3.147 1.930 4.122 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLU HA 1 7 PHE H 3.800 . 4.300 2.653 2.191 3.587 . 0 0 "[ . 1 . 2]" 1
13 1 7 PHE H 1 8 LEU H 4.220 . 4.720 2.844 2.455 3.330 . 0 0 "[ . 1 . 2]" 1
14 1 7 PHE QD 1 8 LEU H 4.590 . 5.090 3.834 2.454 4.746 . 0 0 "[ . 1 . 2]" 1
15 1 7 PHE HA 1 8 LEU H 4.150 . 4.650 3.564 3.390 3.595 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE QB 1 8 LEU H 3.300 . 3.800 2.399 1.934 3.304 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU H 1 8 LEU QB 3.350 . 3.850 2.513 2.469 2.569 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU H 1 8 LEU HG 3.600 . 4.100 2.877 2.674 2.993 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU H 1 8 LEU QD 3.750 . 4.250 3.455 3.353 3.521 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU QD 1 9 THR H 3.860 . 4.360 3.391 3.254 3.583 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU HA 1 9 THR H 2.880 . 3.380 2.349 2.312 2.403 . 0 0 "[ . 1 . 2]" 1
22 1 8 LEU QB 1 9 THR H 3.480 . 3.980 2.889 2.629 3.039 . 0 0 "[ . 1 . 2]" 1
23 1 8 LEU QB 1 13 GLU H 4.000 . 4.500 3.143 2.769 3.750 . 0 0 "[ . 1 . 2]" 1
24 1 8 LEU MD1 1 13 GLU H 5.000 . 5.500 4.312 3.911 4.987 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU MD2 1 110 LYS H 4.000 . 4.500 3.119 2.856 3.405 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR H 1 9 THR MG 4.000 . 4.500 2.600 1.898 3.717 . 0 0 "[ . 1 . 2]" 1
27 1 9 THR MG 1 10 ALA H 3.860 . 4.360 3.256 1.917 3.973 . 0 0 "[ . 1 . 2]" 1
28 1 9 THR H 1 10 ALA H 5.000 . 5.500 4.648 4.624 4.690 . 0 0 "[ . 1 . 2]" 1
29 1 9 THR HA 1 10 ALA H 3.030 . 3.530 2.473 2.332 2.523 . 0 0 "[ . 1 . 2]" 1
30 1 9 THR HB 1 10 ALA H 4.000 . 4.500 3.104 2.484 3.927 . 0 0 "[ . 1 . 2]" 1
31 1 9 THR MG 1 11 GLU H 4.600 . 5.100 3.469 1.905 4.564 . 0 0 "[ . 1 . 2]" 1
32 1 9 THR HA 1 11 GLU H 4.740 . 5.240 4.355 4.070 4.483 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR H 1 12 GLU QB 3.200 . 3.700 2.437 2.082 3.134 . 0 0 "[ . 1 . 2]" 1
34 1 9 THR H 1 12 GLU H 4.120 . 4.620 3.556 3.372 4.054 . 0 0 "[ . 1 . 2]" 1
35 1 9 THR H 1 13 GLU H 5.000 . 5.500 4.235 3.898 4.836 . 0 0 "[ . 1 . 2]" 1
36 1 10 ALA H 1 10 ALA MB 2.820 . 3.320 2.074 1.935 2.165 . 0 0 "[ . 1 . 2]" 1
37 1 10 ALA H 1 11 GLU H 3.490 . 3.990 2.783 2.728 2.837 . 0 0 "[ . 1 . 2]" 1
38 1 10 ALA MB 1 11 GLU H 3.160 . 3.660 2.530 2.411 2.717 . 0 0 "[ . 1 . 2]" 1
39 1 10 ALA MB 1 12 GLU H 5.000 . 5.500 4.592 4.448 4.884 . 0 0 "[ . 1 . 2]" 1
40 1 10 ALA HA 1 13 GLU H 4.080 . 4.580 3.569 3.424 3.812 . 0 0 "[ . 1 . 2]" 1
41 1 11 GLU H 1 11 GLU QB 3.150 . 3.650 2.234 2.139 2.325 . 0 0 "[ . 1 . 2]" 1
42 1 11 GLU H 1 11 GLU QG 4.050 . 4.550 2.878 1.930 3.945 . 0 0 "[ . 1 . 2]" 1
43 1 11 GLU H 1 12 GLU H 3.390 . 3.890 2.756 2.580 3.049 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLU HA 1 12 GLU H 3.470 . 3.970 3.581 3.557 3.608 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLU QB 1 12 GLU H 3.230 . 3.730 2.378 2.030 2.676 . 0 0 "[ . 1 . 2]" 1
46 1 12 GLU H 1 13 GLU H 2.980 . 3.480 2.698 2.611 2.794 . 0 0 "[ . 1 . 2]" 1
47 1 12 GLU HA 1 13 GLU H 4.520 . 5.020 3.583 3.534 3.601 . 0 0 "[ . 1 . 2]" 1
48 1 12 GLU QB 1 13 GLU H 3.600 . 4.100 2.400 2.235 2.537 . 0 0 "[ . 1 . 2]" 1
49 1 12 GLU HA 1 15 ALA H . . 4.500 3.697 3.540 3.853 . 0 0 "[ . 1 . 2]" 1
50 1 12 GLU QB 1 14 LYS H 4.640 . 5.140 4.549 4.413 4.677 . 0 0 "[ . 1 . 2]" 1
51 1 12 GLU H 1 15 ALA MB 5.000 . 5.500 5.008 4.800 5.183 . 0 0 "[ . 1 . 2]" 1
52 1 13 GLU H 1 13 GLU QG 3.660 . 4.160 2.090 2.012 2.172 . 0 0 "[ . 1 . 2]" 1
53 1 13 GLU H 1 13 GLU QB 2.840 . 3.340 2.285 2.250 2.319 . 0 0 "[ . 1 . 2]" 1
54 1 13 GLU H 1 14 LYS H 3.340 . 3.840 2.675 2.606 2.757 . 0 0 "[ . 1 . 2]" 1
55 1 13 GLU QB 1 14 LYS H 3.330 . 3.830 2.557 2.471 2.671 . 0 0 "[ . 1 . 2]" 1
56 1 13 GLU HA 1 14 LYS H 4.480 . 4.980 3.559 3.535 3.585 . 0 0 "[ . 1 . 2]" 1
57 1 13 GLU QB 1 15 ALA H 5.000 . 5.500 4.833 4.721 4.944 . 0 0 "[ . 1 . 2]" 1
58 1 13 GLU HA 1 16 ILE H 4.730 . 5.230 3.693 3.552 3.844 . 0 0 "[ . 1 . 2]" 1
59 1 14 LYS H 1 14 LYS QB 2.720 . 3.220 2.184 2.144 2.270 . 0 0 "[ . 1 . 2]" 1
60 1 14 LYS H 1 14 LYS QG 3.830 . 4.330 3.496 2.168 3.936 . 0 0 "[ . 1 . 2]" 1
61 1 14 LYS HA 1 15 ALA H 3.710 . 4.210 3.590 3.579 3.605 . 0 0 "[ . 1 . 2]" 1
62 1 14 LYS QB 1 15 ALA H 3.290 . 3.790 2.411 2.286 2.535 . 0 0 "[ . 1 . 2]" 1
63 1 14 LYS H 1 15 ALA H 3.380 . 3.880 2.783 2.739 2.834 . 0 0 "[ . 1 . 2]" 1
64 1 14 LYS HA 1 16 ILE H 5.000 . 5.500 4.712 4.534 4.830 . 0 0 "[ . 1 . 2]" 1
65 1 14 LYS HA 1 17 VAL H 4.030 . 4.500 3.747 3.561 3.889 . 0 0 "[ . 1 . 2]" 1
66 1 14 LYS HA 1 18 ASP H 4.450 . 4.950 4.300 4.120 4.505 . 0 0 "[ . 1 . 2]" 1
67 1 15 ALA H 1 15 ALA MB 2.740 . 3.240 2.002 1.913 2.162 . 0 0 "[ . 1 . 2]" 1
68 1 15 ALA H 1 16 ILE H 3.010 . 3.510 2.819 2.759 2.878 . 0 0 "[ . 1 . 2]" 1
69 1 15 ALA MB 1 16 ILE H 3.370 . 3.870 2.546 2.375 2.665 . 0 0 "[ . 1 . 2]" 1
70 1 15 ALA HA 1 16 ILE H 4.730 . 5.230 3.604 3.575 3.622 . 0 0 "[ . 1 . 2]" 1
71 1 15 ALA HA 1 18 ASP H 4.000 . 4.500 3.532 3.441 3.649 . 0 0 "[ . 1 . 2]" 1
72 1 16 ILE H 1 16 ILE HB 4.000 . 4.500 2.397 2.238 2.452 . 0 0 "[ . 1 . 2]" 1
73 1 16 ILE H 1 16 ILE QG 3.360 . 3.860 3.848 2.237 3.942 0.082 18 0 "[ . 1 . 2]" 1
74 1 16 ILE H 1 16 ILE MG 3.360 . 3.860 2.136 1.958 3.673 . 0 0 "[ . 1 . 2]" 1
75 1 16 ILE H 1 17 VAL QG 5.000 . 5.500 4.070 3.921 4.165 . 0 0 "[ . 1 . 2]" 1
76 1 16 ILE H 1 17 VAL H 3.260 . 3.760 2.658 2.570 2.747 . 0 0 "[ . 1 . 2]" 1
77 1 16 ILE MG 1 17 VAL H 3.770 . 4.270 2.082 1.981 3.099 . 0 0 "[ . 1 . 2]" 1
78 1 16 ILE HA 1 19 ALA H 3.620 . 4.120 3.290 3.199 3.434 . 0 0 "[ . 1 . 2]" 1
79 1 16 ILE MD 1 110 LYS H 5.000 . 5.500 5.197 4.290 5.494 . 0 0 "[ . 1 . 2]" 1
80 1 16 ILE MD 1 111 GLN H 5.000 . 5.500 5.495 5.034 5.600 0.100 6 0 "[ . 1 . 2]" 1
81 1 17 VAL H 1 17 VAL HB 4.000 . 4.500 2.313 2.241 2.389 . 0 0 "[ . 1 . 2]" 1
82 1 17 VAL H 1 17 VAL QG 3.790 . 4.290 2.194 2.027 2.333 . 0 0 "[ . 1 . 2]" 1
83 1 17 VAL QG 1 18 ASP H 4.050 . 4.550 3.157 3.032 3.232 . 0 0 "[ . 1 . 2]" 1
84 1 17 VAL HA 1 18 ASP H 4.070 . 4.570 3.544 3.530 3.567 . 0 0 "[ . 1 . 2]" 1
85 1 17 VAL HB 1 18 ASP H 3.100 . 3.600 2.547 2.488 2.628 . 0 0 "[ . 1 . 2]" 1
86 1 17 VAL H 1 18 ASP H 3.410 . 3.910 2.608 2.525 2.710 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL HA 1 20 ILE H 3.880 . 4.380 3.423 3.312 3.532 . 0 0 "[ . 1 . 2]" 1
88 1 17 VAL HA 1 21 ARG H 3.960 . 4.460 4.479 4.420 4.569 0.109 15 0 "[ . 1 . 2]" 1
89 1 18 ASP H 1 18 ASP QB 3.050 . 3.550 2.181 2.124 2.290 . 0 0 "[ . 1 . 2]" 1
90 1 18 ASP H 1 19 ALA H 3.150 . 3.650 2.664 2.627 2.712 . 0 0 "[ . 1 . 2]" 1
91 1 18 ASP H 1 19 ALA MB 4.610 . 5.110 4.178 4.069 4.266 . 0 0 "[ . 1 . 2]" 1
92 1 18 ASP QB 1 19 ALA H 3.510 . 4.010 2.636 2.483 2.742 . 0 0 "[ . 1 . 2]" 1
93 1 18 ASP HA 1 21 ARG H 3.870 . 4.370 3.357 3.286 3.436 . 0 0 "[ . 1 . 2]" 1
94 1 19 ALA H 1 19 ALA MB 2.780 . 3.280 2.032 1.915 2.156 . 0 0 "[ . 1 . 2]" 1
95 1 19 ALA H 1 20 ILE H 3.140 . 3.640 2.685 2.644 2.754 . 0 0 "[ . 1 . 2]" 1
96 1 19 ALA HA 1 20 ILE H 4.440 . 4.940 3.561 3.543 3.578 . 0 0 "[ . 1 . 2]" 1
97 1 19 ALA MB 1 20 ILE H 3.570 . 4.070 2.525 2.388 2.658 . 0 0 "[ . 1 . 2]" 1
98 1 19 ALA H 1 20 ILE QG 4.000 . 4.500 4.161 3.946 4.341 . 0 0 "[ . 1 . 2]" 1
99 1 19 ALA H 1 114 VAL MG2 5.000 . 5.500 4.655 4.028 5.081 . 0 0 "[ . 1 . 2]" 1
100 1 20 ILE H 1 20 ILE MG 3.500 . 4.000 3.699 3.683 3.721 . 0 0 "[ . 1 . 2]" 1
101 1 20 ILE HA 1 21 ARG H 5.040 . 5.540 3.568 3.548 3.587 . 0 0 "[ . 1 . 2]" 1
102 1 20 ILE QG 1 21 ARG H 5.040 . 5.540 4.020 3.876 4.086 . 0 0 "[ . 1 . 2]" 1
103 1 20 ILE H 1 20 ILE QG 3.510 . 4.010 2.077 1.923 2.124 . 0 0 "[ . 1 . 2]" 1
104 1 20 ILE H 1 21 ARG QG 4.780 . 5.280 4.297 4.168 4.554 . 0 0 "[ . 1 . 2]" 1
105 1 20 ILE MG 1 21 ARG H 4.000 . 4.500 3.304 3.221 3.466 . 0 0 "[ . 1 . 2]" 1
106 1 20 ILE HA 1 23 ALA H 3.990 . 4.490 3.499 3.364 3.688 . 0 0 "[ . 1 . 2]" 1
107 1 20 ILE MG 1 31 ILE H 5.000 . 5.500 3.901 3.331 4.311 . 0 0 "[ . 1 . 2]" 1
108 1 20 ILE MD 1 33 VAL H 5.000 . 5.500 4.128 3.368 5.016 . 0 0 "[ . 1 . 2]" 1
109 1 21 ARG H 1 21 ARG QB 3.160 . 3.660 2.256 2.178 2.285 . 0 0 "[ . 1 . 2]" 1
110 1 21 ARG H 1 21 ARG QG 3.020 . 3.520 2.149 2.061 2.340 . 0 0 "[ . 1 . 2]" 1
111 1 21 ARG QB 1 22 ASP H 3.710 . 4.210 2.428 2.364 2.512 . 0 0 "[ . 1 . 2]" 1
112 1 21 ARG HA 1 22 ASP H 4.280 . 4.780 3.570 3.541 3.588 . 0 0 "[ . 1 . 2]" 1
113 1 21 ARG QG 1 22 ASP H 4.000 . 4.500 4.082 4.024 4.189 . 0 0 "[ . 1 . 2]" 1
114 1 21 ARG QB 1 23 ALA H 4.860 . 5.360 4.633 4.565 4.717 . 0 0 "[ . 1 . 2]" 1
115 1 21 ARG HA 1 24 GLU H 4.630 . 5.130 3.730 3.578 3.800 . 0 0 "[ . 1 . 2]" 1
116 1 22 ASP H 1 22 ASP HA 2.930 . 3.430 2.861 2.852 2.874 . 0 0 "[ . 1 . 2]" 1
117 1 22 ASP H 1 22 ASP QB 2.990 . 3.490 2.114 2.072 2.173 . 0 0 "[ . 1 . 2]" 1
118 1 22 ASP H 1 23 ALA H 3.130 . 3.630 2.732 2.688 2.766 . 0 0 "[ . 1 . 2]" 1
119 1 22 ASP QB 1 23 ALA H 3.520 . 4.020 2.618 2.522 2.685 . 0 0 "[ . 1 . 2]" 1
120 1 22 ASP QB 1 24 GLU H 5.000 . 5.500 4.767 4.655 4.845 . 0 0 "[ . 1 . 2]" 1
121 1 23 ALA H 1 23 ALA HA 2.970 . 3.470 2.860 2.840 2.874 . 0 0 "[ . 1 . 2]" 1
122 1 23 ALA H 1 23 ALA MB 2.800 . 3.300 2.093 1.969 2.181 . 0 0 "[ . 1 . 2]" 1
123 1 23 ALA H 1 25 LYS H 5.000 . 5.500 4.051 3.973 4.112 . 0 0 "[ . 1 . 2]" 1
124 1 23 ALA MB 1 24 GLU H 3.250 . 3.750 2.553 2.454 2.679 . 0 0 "[ . 1 . 2]" 1
125 1 23 ALA HA 1 26 ASN H 3.480 . 3.980 3.349 3.242 3.434 . 0 0 "[ . 1 . 2]" 1
126 1 23 ALA MB 1 121 GLY H 4.870 . 5.370 4.216 3.911 4.612 . 0 0 "[ . 1 . 2]" 1
127 1 24 GLU H 1 24 GLU QB 3.110 . 3.610 2.284 2.001 2.402 . 0 0 "[ . 1 . 2]" 1
128 1 24 GLU HA 1 25 LYS H 3.430 . 3.930 3.441 3.429 3.452 . 0 0 "[ . 1 . 2]" 1
129 1 24 GLU QB 1 25 LYS H 4.000 . 4.500 3.053 3.004 3.115 . 0 0 "[ . 1 . 2]" 1
130 1 24 GLU H 1 25 LYS H 3.410 . 3.910 2.747 2.702 2.788 . 0 0 "[ . 1 . 2]" 1
131 1 24 GLU H 1 26 ASN H 5.000 . 5.500 4.151 4.090 4.200 . 0 0 "[ . 1 . 2]" 1
132 1 24 GLU HA 1 130 TRP HE1 5.000 . 5.500 5.624 5.533 5.722 0.222 18 0 "[ . 1 . 2]" 1
133 1 25 LYS H 1 25 LYS QD 3.010 . 3.510 3.686 3.482 3.786 0.276 10 0 "[ . 1 . 2]" 1
134 1 25 LYS H 1 25 LYS QB 3.270 . 3.770 2.314 2.252 2.458 . 0 0 "[ . 1 . 2]" 1
135 1 25 LYS H 1 25 LYS QG 4.070 . 4.570 2.409 2.182 2.516 . 0 0 "[ . 1 . 2]" 1
136 1 25 LYS H 1 26 ASN QB 4.160 . 4.660 4.032 3.843 4.188 . 0 0 "[ . 1 . 2]" 1
137 1 25 LYS HA 1 26 ASN H 4.130 . 4.630 3.352 3.313 3.392 . 0 0 "[ . 1 . 2]" 1
138 1 25 LYS QB 1 26 ASN H 4.160 . 4.660 3.333 3.246 3.393 . 0 0 "[ . 1 . 2]" 1
139 1 25 LYS HB2 1 26 ASN H 4.000 . 4.500 3.476 3.371 3.531 . 0 0 "[ . 1 . 2]" 1
140 1 25 LYS H 1 26 ASN H 2.960 . 3.460 2.346 2.295 2.392 . 0 0 "[ . 1 . 2]" 1
141 1 25 LYS H 1 27 THR H 5.000 . 5.500 3.925 3.847 3.979 . 0 0 "[ . 1 . 2]" 1
142 1 25 LYS HA 1 130 TRP HE1 5.000 . 5.500 2.098 2.021 2.233 . 0 0 "[ . 1 . 2]" 1
143 1 25 LYS QG 1 130 TRP HE1 5.000 . 5.500 3.954 3.694 4.815 . 0 0 "[ . 1 . 2]" 1
144 1 25 LYS QB 1 130 TRP HE1 5.000 . 5.500 3.880 3.793 4.063 . 0 0 "[ . 1 . 2]" 1
145 1 25 LYS H 1 130 TRP HE1 5.000 . 5.500 4.904 4.784 5.011 . 0 0 "[ . 1 . 2]" 1
146 1 26 ASN H 1 26 ASN QB 2.980 . 3.480 2.280 2.234 2.362 . 0 0 "[ . 1 . 2]" 1
147 1 26 ASN H 1 27 THR H 4.000 . 4.500 2.016 1.956 2.094 . 0 0 "[ . 1 . 2]" 1
148 1 26 ASN HA 1 27 THR H 4.260 . 4.760 3.481 3.463 3.495 . 0 0 "[ . 1 . 2]" 1
149 1 26 ASN QB 1 27 THR H 3.510 . 4.010 3.014 2.936 3.056 . 0 0 "[ . 1 . 2]" 1
150 1 27 THR H 1 27 THR HB 3.260 . 3.760 3.335 3.168 3.447 . 0 0 "[ . 1 . 2]" 1
151 1 27 THR H 1 27 THR MG 3.050 . 3.550 2.177 1.942 2.439 . 0 0 "[ . 1 . 2]" 1
152 1 27 THR HA 1 28 SER H 4.000 . 4.500 2.383 2.353 2.423 . 0 0 "[ . 1 . 2]" 1
153 1 27 THR MG 1 28 SER H 4.490 . 4.990 3.652 3.361 3.862 . 0 0 "[ . 1 . 2]" 1
154 1 27 THR HG1 1 28 SER H 4.490 . 4.990 2.012 1.927 2.152 . 0 0 "[ . 1 . 2]" 1
155 1 27 THR MG 1 29 GLY H 4.000 . 4.500 2.739 2.196 3.009 . 0 0 "[ . 1 . 2]" 1
156 1 27 THR HG1 1 29 GLY H 5.000 . 5.500 2.227 1.928 2.462 . 0 0 "[ . 1 . 2]" 1
157 1 27 THR HB 1 125 ALA H 4.000 . 4.500 3.692 3.523 3.841 . 0 0 "[ . 1 . 2]" 1
158 1 27 THR MG 1 125 ALA H 5.000 . 5.500 4.328 4.201 4.458 . 0 0 "[ . 1 . 2]" 1
159 1 27 THR HA 1 128 PHE H 5.000 . 5.500 5.602 5.510 5.672 0.172 6 0 "[ . 1 . 2]" 1
160 1 27 THR HA 1 130 TRP H 4.000 . 4.500 4.021 3.749 4.335 . 0 0 "[ . 1 . 2]" 1
161 1 27 THR H 1 130 TRP QB 5.000 . 5.500 3.857 3.700 4.055 . 0 0 "[ . 1 . 2]" 1
162 1 28 SER H 1 28 SER QB 3.370 . 3.870 2.455 2.221 2.669 . 0 0 "[ . 1 . 2]" 1
163 1 28 SER H 1 29 GLY H 4.000 . 4.500 2.405 2.319 2.474 . 0 0 "[ . 1 . 2]" 1
164 1 28 SER H 1 29 GLY QA 5.000 . 5.500 4.262 4.197 4.318 . 0 0 "[ . 1 . 2]" 1
165 1 28 SER HA 1 29 GLY H 4.970 . 5.470 3.422 3.384 3.454 . 0 0 "[ . 1 . 2]" 1
166 1 28 SER QB 1 29 GLY H 4.180 . 4.680 3.522 3.127 3.806 . 0 0 "[ . 1 . 2]" 1
167 1 28 SER H 1 128 PHE QB 4.190 . 4.690 2.840 2.672 3.076 . 0 0 "[ . 1 . 2]" 1
168 1 29 GLY H 1 30 GLU H 3.960 . 4.460 4.605 4.586 4.624 0.164 6 0 "[ . 1 . 2]" 1
169 1 29 GLY H 1 63 ASN QB 4.000 . 4.500 4.483 4.353 4.635 0.135 7 0 "[ . 1 . 2]" 1
170 1 29 GLY H 1 128 PHE QB 5.000 . 5.500 3.575 3.310 3.875 . 0 0 "[ . 1 . 2]" 1
171 1 30 GLU H 1 30 GLU QG 3.510 . 4.010 3.222 2.797 4.074 0.064 16 0 "[ . 1 . 2]" 1
172 1 30 GLU H 1 30 GLU QB 3.510 . 4.010 2.522 2.475 2.560 . 0 0 "[ . 1 . 2]" 1
173 1 30 GLU H 1 31 ILE H 5.000 . 5.500 4.411 4.379 4.444 . 0 0 "[ . 1 . 2]" 1
174 1 30 GLU H 1 31 ILE QG 5.000 . 5.500 4.030 3.943 4.145 . 0 0 "[ . 1 . 2]" 1
175 1 30 GLU HA 1 31 ILE H 2.670 . 3.170 2.172 2.137 2.206 . 0 0 "[ . 1 . 2]" 1
176 1 30 GLU QB 1 31 ILE H 3.920 . 4.420 3.162 3.035 3.711 . 0 0 "[ . 1 . 2]" 1
177 1 30 GLU H 1 63 ASN QB 5.000 . 5.500 3.194 2.859 3.630 . 0 0 "[ . 1 . 2]" 1
178 1 30 GLU H 1 64 GLY QA 3.030 . 3.530 2.846 2.585 3.105 . 0 0 "[ . 1 . 2]" 1
179 1 30 GLU H 1 65 VAL H 5.000 . 5.500 4.242 4.016 4.594 . 0 0 "[ . 1 . 2]" 1
180 1 30 GLU H 1 84 ILE QG 4.000 . 4.500 4.730 4.628 4.826 0.326 1 0 "[ . 1 . 2]" 1
181 1 31 ILE H 1 31 ILE QG 3.040 . 3.540 2.704 2.590 2.780 . 0 0 "[ . 1 . 2]" 1
182 1 31 ILE MG 1 32 ARG H 4.000 . 4.500 2.548 2.324 2.741 . 0 0 "[ . 1 . 2]" 1
183 1 31 ILE HA 1 32 ARG H 2.750 . 3.250 2.236 2.214 2.262 . 0 0 "[ . 1 . 2]" 1
184 1 31 ILE H 1 32 ARG H 4.250 . 4.750 4.441 4.417 4.465 . 0 0 "[ . 1 . 2]" 1
185 1 31 ILE HA 1 65 VAL H 3.800 . 4.300 2.617 2.479 2.827 . 0 0 "[ . 1 . 2]" 1
186 1 31 ILE MD 1 121 GLY H 4.870 . 5.370 3.462 3.154 3.654 . 0 0 "[ . 1 . 2]" 1
187 1 32 ARG H 1 32 ARG QG 3.700 . 4.200 3.717 2.978 4.097 . 0 0 "[ . 1 . 2]" 1
188 1 32 ARG QB 1 33 VAL H 4.090 . 4.590 3.268 2.726 3.588 . 0 0 "[ . 1 . 2]" 1
189 1 32 ARG QG 1 33 VAL H 5.000 . 5.500 2.824 1.994 4.484 . 0 0 "[ . 1 . 2]" 1
190 1 32 ARG QB 1 65 VAL H 5.000 . 5.500 4.208 3.937 4.542 . 0 0 "[ . 1 . 2]" 1
191 1 32 ARG H 1 65 VAL H 4.440 . 4.940 3.456 3.154 3.740 . 0 0 "[ . 1 . 2]" 1
192 1 32 ARG H 1 65 VAL QG 4.000 . 4.500 3.366 3.159 3.577 . 0 0 "[ . 1 . 2]" 1
193 1 33 VAL H 1 33 VAL QG 3.400 . 3.900 2.505 1.856 2.883 . 0 0 "[ . 1 . 2]" 1
194 1 33 VAL H 1 33 VAL HA 2.910 . 3.410 3.002 2.995 3.013 . 0 0 "[ . 1 . 2]" 1
195 1 33 VAL H 1 33 VAL HB 3.050 . 3.550 2.719 2.367 3.677 0.127 10 0 "[ . 1 . 2]" 1
196 1 33 VAL HA 1 34 HIS H 2.840 . 3.340 2.226 2.205 2.243 . 0 0 "[ . 1 . 2]" 1
197 1 33 VAL HB 1 34 HIS H 4.230 . 4.730 4.093 3.158 4.256 . 0 0 "[ . 1 . 2]" 1
198 1 33 VAL QG 1 34 HIS H 2.970 . 3.470 2.511 2.234 3.515 0.045 8 0 "[ . 1 . 2]" 1
199 1 33 VAL HA 1 67 ILE H 2.870 . 3.370 2.115 1.917 2.305 . 0 0 "[ . 1 . 2]" 1
200 1 33 VAL H 1 142 ILE HA 4.450 . 4.950 3.736 3.322 3.935 . 0 0 "[ . 1 . 2]" 1
201 1 33 VAL MG1 1 143 SER H 5.000 . 5.500 4.064 2.541 5.421 . 0 0 "[ . 1 . 2]" 1
202 1 34 HIS H 1 35 LEU H 5.000 . 5.500 4.304 4.233 4.376 . 0 0 "[ . 1 . 2]" 1
203 1 34 HIS QB 1 35 LEU H 5.120 . 5.620 3.837 3.749 3.904 . 0 0 "[ . 1 . 2]" 1
204 1 34 HIS HA 1 35 LEU H 2.710 . 3.210 2.175 2.151 2.193 . 0 0 "[ . 1 . 2]" 1
205 1 34 HIS H 1 67 ILE H 4.380 . 4.880 3.150 2.829 3.406 . 0 0 "[ . 1 . 2]" 1
206 1 34 HIS H 1 67 ILE MD 5.000 . 5.500 4.937 4.741 5.168 . 0 0 "[ . 1 . 2]" 1
207 1 34 HIS H 1 68 TYR HA 2.840 . 3.340 3.216 2.859 3.381 0.041 9 0 "[ . 1 . 2]" 1
208 1 34 HIS H 1 69 VAL H 3.980 . 4.480 4.142 3.892 4.401 . 0 0 "[ . 1 . 2]" 1
209 1 34 HIS HA 1 143 SER H 3.660 . 4.160 3.349 2.670 3.714 . 0 0 "[ . 1 . 2]" 1
210 1 34 HIS HE1 1 145 GLY H 4.570 . 5.070 3.829 2.888 4.846 . 0 0 "[ . 1 . 2]" 1
211 1 35 LEU H 1 35 LEU QB 3.550 . 4.050 2.322 2.289 2.403 . 0 0 "[ . 1 . 2]" 1
212 1 35 LEU H 1 35 LEU QD 3.550 . 4.050 3.746 3.671 3.813 . 0 0 "[ . 1 . 2]" 1
213 1 35 LEU HA 1 36 GLU H 2.750 . 3.250 2.145 2.126 2.169 . 0 0 "[ . 1 . 2]" 1
214 1 35 LEU QD 1 36 GLU H 4.250 . 4.750 2.564 2.217 3.180 . 0 0 "[ . 1 . 2]" 1
215 1 35 LEU QB 1 36 GLU H 3.880 . 4.380 3.780 3.696 3.837 . 0 0 "[ . 1 . 2]" 1
216 1 35 LEU H 1 36 GLU H 4.570 . 5.070 4.435 4.400 4.465 . 0 0 "[ . 1 . 2]" 1
217 1 35 LEU HA 1 69 VAL H 2.700 . 3.200 2.849 2.602 3.099 . 0 0 "[ . 1 . 2]" 1
218 1 35 LEU H 1 143 SER QB 5.000 . 5.500 4.022 3.576 4.300 . 0 0 "[ . 1 . 2]" 1
219 1 35 LEU H 1 143 SER H 5.000 . 5.500 4.564 4.080 4.941 . 0 0 "[ . 1 . 2]" 1
220 1 35 LEU H 1 144 LYS HA 4.000 . 4.500 2.507 1.944 2.770 . 0 0 "[ . 1 . 2]" 1
221 1 35 LEU H 1 144 LYS QG 4.000 . 4.500 3.703 2.911 4.659 0.159 12 0 "[ . 1 . 2]" 1
222 1 36 GLU H 1 36 GLU QB 3.360 . 3.860 2.665 2.613 2.741 . 0 0 "[ . 1 . 2]" 1
223 1 36 GLU QB 1 37 LYS H 3.370 . 3.870 3.365 3.317 3.435 . 0 0 "[ . 1 . 2]" 1
224 1 36 GLU HA 1 37 LYS H 3.080 . 3.580 2.442 2.375 2.493 . 0 0 "[ . 1 . 2]" 1
225 1 36 GLU QG 1 38 THR H 3.720 . 4.220 3.017 2.869 3.117 . 0 0 "[ . 1 . 2]" 1
226 1 36 GLU H 1 71 VAL H 4.230 . 4.730 3.710 3.358 3.993 . 0 0 "[ . 1 . 2]" 1
227 1 36 GLU H 1 71 VAL MG1 5.000 . 5.500 3.685 3.364 3.868 . 0 0 "[ . 1 . 2]" 1
228 1 36 GLU HA 1 145 GLY H 3.850 . 4.350 3.350 2.877 3.677 . 0 0 "[ . 1 . 2]" 1
229 1 36 GLU QB 1 145 GLY H 5.000 . 5.500 3.181 2.779 3.510 . 0 0 "[ . 1 . 2]" 1
230 1 37 LYS H 1 37 LYS QB 3.030 . 3.530 2.268 2.198 2.353 . 0 0 "[ . 1 . 2]" 1
231 1 37 LYS H 1 37 LYS QD 5.060 . 5.560 3.709 3.611 4.004 . 0 0 "[ . 1 . 2]" 1
232 1 37 LYS QB 1 38 THR H 3.050 . 3.550 1.997 1.923 2.129 . 0 0 "[ . 1 . 2]" 1
233 1 37 LYS HA 1 38 THR H 3.820 . 4.320 3.562 3.547 3.576 . 0 0 "[ . 1 . 2]" 1
234 1 37 LYS H 1 38 THR H 3.550 . 4.050 3.052 3.021 3.091 . 0 0 "[ . 1 . 2]" 1
235 1 37 LYS HA 1 71 VAL H 4.100 . 4.500 3.082 2.738 3.372 . 0 0 "[ . 1 . 2]" 1
236 1 37 LYS HA 1 72 GLU H 3.500 . 4.000 2.655 2.214 3.015 . 0 0 "[ . 1 . 2]" 1
237 1 38 THR H 1 38 THR HB 4.110 . 4.610 3.224 2.671 3.691 . 0 0 "[ . 1 . 2]" 1
238 1 38 THR H 1 38 THR MG 3.400 . 3.900 2.477 1.955 3.942 0.042 5 0 "[ . 1 . 2]" 1
239 1 38 THR H 1 39 SER H 4.760 . 5.260 4.450 4.432 4.465 . 0 0 "[ . 1 . 2]" 1
240 1 38 THR HB 1 39 SER H 3.430 . 3.930 3.806 2.790 4.003 0.073 9 0 "[ . 1 . 2]" 1
241 1 38 THR HA 1 39 SER H 2.730 . 3.230 2.357 2.326 2.387 . 0 0 "[ . 1 . 2]" 1
242 1 38 THR MG 1 39 SER H 3.780 . 4.280 3.453 2.043 3.778 . 0 0 "[ . 1 . 2]" 1
243 1 39 SER H 1 39 SER HA 2.730 . 3.230 2.981 2.966 2.993 . 0 0 "[ . 1 . 2]" 1
244 1 39 SER H 1 39 SER QB 3.660 . 4.160 2.617 2.287 2.850 . 0 0 "[ . 1 . 2]" 1
245 1 39 SER H 1 40 GLU H 3.920 . 4.420 4.540 4.487 4.565 0.145 11 0 "[ . 1 . 2]" 1
246 1 39 SER HA 1 40 GLU H 3.640 . 4.140 2.466 2.402 2.551 . 0 0 "[ . 1 . 2]" 1
247 1 39 SER H 1 70 ALA MB 5.000 . 5.500 4.253 3.985 4.541 . 0 0 "[ . 1 . 2]" 1
248 1 40 GLU H 1 40 GLU QG 4.130 . 4.630 3.342 2.515 4.046 . 0 0 "[ . 1 . 2]" 1
249 1 40 GLU H 1 41 ILE H 3.650 . 4.150 2.102 2.029 2.154 . 0 0 "[ . 1 . 2]" 1
250 1 40 GLU H 1 41 ILE QG 4.850 . 5.350 3.040 2.940 3.371 . 0 0 "[ . 1 . 2]" 1
251 1 40 GLU HA 1 41 ILE H 4.160 . 4.660 3.450 3.418 3.496 . 0 0 "[ . 1 . 2]" 1
252 1 41 ILE H 1 41 ILE HB 4.050 . 4.550 3.640 2.652 3.728 . 0 0 "[ . 1 . 2]" 1
253 1 41 ILE H 1 41 ILE QG 4.000 . 4.500 1.978 1.886 2.287 . 0 0 "[ . 1 . 2]" 1
254 1 41 ILE H 1 41 ILE MD 4.660 . 5.160 3.697 3.595 3.768 . 0 0 "[ . 1 . 2]" 1
255 1 41 ILE HB 1 42 ASP H 2.820 . 3.320 2.027 1.938 2.067 . 0 0 "[ . 1 . 2]" 1
256 1 41 ILE HG12 1 42 ASP H 4.250 . 4.750 3.486 3.406 4.496 . 0 0 "[ . 1 . 2]" 1
257 1 41 ILE MG 1 42 ASP H 3.480 . 3.980 3.552 1.995 3.648 . 0 0 "[ . 1 . 2]" 1
258 1 41 ILE MD 1 42 ASP H 4.150 . 4.650 2.743 2.482 3.696 . 0 0 "[ . 1 . 2]" 1
259 1 41 ILE HA 1 42 ASP H 2.990 . 3.490 3.361 3.344 3.382 . 0 0 "[ . 1 . 2]" 1
260 1 41 ILE QG 1 46 ARG H 5.000 . 5.500 3.929 3.593 5.809 0.309 4 0 "[ . 1 . 2]" 1
261 1 41 ILE MD 1 46 ARG H 5.000 . 5.500 3.554 3.232 4.687 . 0 0 "[ . 1 . 2]" 1
262 1 42 ASP QB 1 43 VAL H 3.970 . 4.470 3.174 2.982 3.775 . 0 0 "[ . 1 . 2]" 1
263 1 42 ASP HA 1 43 VAL H 2.600 . 3.100 2.221 2.165 2.319 . 0 0 "[ . 1 . 2]" 1
264 1 42 ASP QB 1 44 PHE H 3.870 . 4.370 3.256 2.945 4.139 . 0 0 "[ . 1 . 2]" 1
265 1 42 ASP HA 1 44 PHE H 4.490 . 4.990 4.297 4.191 4.428 . 0 0 "[ . 1 . 2]" 1
266 1 43 VAL H 1 43 VAL HB 3.360 . 3.860 2.376 2.302 2.435 . 0 0 "[ . 1 . 2]" 1
267 1 43 VAL HB 1 44 PHE H 4.540 . 5.040 2.533 2.463 2.624 . 0 0 "[ . 1 . 2]" 1
268 1 43 VAL QG 1 44 PHE H 3.290 . 3.790 3.137 3.084 3.188 . 0 0 "[ . 1 . 2]" 1
269 1 43 VAL HA 1 44 PHE H 4.310 . 4.810 3.584 3.561 3.602 . 0 0 "[ . 1 . 2]" 1
270 1 43 VAL H 1 43 VAL QG 3.020 . 3.520 2.093 1.941 2.256 . 0 0 "[ . 1 . 2]" 1
271 1 43 VAL HA 1 46 ARG H 3.960 . 4.460 3.399 3.245 3.554 . 0 0 "[ . 1 . 2]" 1
272 1 43 VAL HA 1 47 ALA H 4.370 . 4.870 3.644 3.463 3.785 . 0 0 "[ . 1 . 2]" 1
273 1 44 PHE H 1 44 PHE QB 2.590 . 3.090 2.177 2.137 2.249 . 0 0 "[ . 1 . 2]" 1
274 1 44 PHE QB 1 45 ASP H 3.250 . 3.750 2.403 2.341 2.465 . 0 0 "[ . 1 . 2]" 1
275 1 44 PHE HA 1 45 ASP H 4.390 . 4.890 3.601 3.574 3.624 . 0 0 "[ . 1 . 2]" 1
276 1 44 PHE H 1 45 ASP H 2.950 . 3.450 2.841 2.769 2.901 . 0 0 "[ . 1 . 2]" 1
277 1 44 PHE HA 1 47 ALA H 4.600 . 5.100 3.650 3.498 3.826 . 0 0 "[ . 1 . 2]" 1
278 1 44 PHE H 1 77 VAL MG2 5.000 . 5.500 4.256 3.957 4.721 . 0 0 "[ . 1 . 2]" 1
279 1 45 ASP H 1 45 ASP QB 2.920 . 3.420 2.123 2.071 2.202 . 0 0 "[ . 1 . 2]" 1
280 1 45 ASP HA 1 46 ARG H 4.530 . 5.030 3.561 3.547 3.583 . 0 0 "[ . 1 . 2]" 1
281 1 45 ASP H 1 46 ARG H 3.240 . 3.740 2.536 2.489 2.645 . 0 0 "[ . 1 . 2]" 1
282 1 45 ASP HA 1 48 MET H 4.310 . 4.810 3.517 3.371 3.636 . 0 0 "[ . 1 . 2]" 1
283 1 45 ASP HA 1 49 ASP H 5.060 . 5.560 4.186 3.980 4.416 . 0 0 "[ . 1 . 2]" 1
284 1 46 ARG H 1 46 ARG QB 3.020 . 3.520 2.172 2.051 2.248 . 0 0 "[ . 1 . 2]" 1
285 1 46 ARG QB 1 47 ALA H 4.540 . 5.040 2.485 2.351 2.697 . 0 0 "[ . 1 . 2]" 1
286 1 46 ARG HA 1 47 ALA H 3.670 . 4.170 3.604 3.575 3.621 . 0 0 "[ . 1 . 2]" 1
287 1 46 ARG H 1 47 ALA H 3.470 . 3.970 2.796 2.707 2.873 . 0 0 "[ . 1 . 2]" 1
288 1 46 ARG HA 1 49 ASP H 4.160 . 4.660 3.588 3.440 3.674 . 0 0 "[ . 1 . 2]" 1
289 1 46 ARG HA 1 50 VAL H 4.790 . 5.290 4.091 3.869 4.279 . 0 0 "[ . 1 . 2]" 1
290 1 47 ALA H 1 47 ALA MB 2.780 . 3.280 2.049 1.915 2.188 . 0 0 "[ . 1 . 2]" 1
291 1 47 ALA H 1 48 MET H 3.430 . 3.930 2.663 2.578 2.804 . 0 0 "[ . 1 . 2]" 1
292 1 47 ALA MB 1 48 MET H 3.470 . 3.970 2.598 2.489 2.715 . 0 0 "[ . 1 . 2]" 1
293 1 47 ALA HA 1 48 MET H 4.510 . 5.010 3.560 3.535 3.585 . 0 0 "[ . 1 . 2]" 1
294 1 47 ALA HA 1 50 VAL H 4.410 . 4.910 3.449 3.294 3.614 . 0 0 "[ . 1 . 2]" 1
295 1 48 MET H 1 48 MET QG 4.550 . 5.050 3.927 3.913 3.947 . 0 0 "[ . 1 . 2]" 1
296 1 48 MET H 1 48 MET QB 3.260 . 3.760 2.178 2.157 2.204 . 0 0 "[ . 1 . 2]" 1
297 1 48 MET H 1 49 ASP H 3.410 . 3.910 2.723 2.692 2.769 . 0 0 "[ . 1 . 2]" 1
298 1 48 MET QB 1 49 ASP H 3.850 . 4.350 2.442 2.385 2.498 . 0 0 "[ . 1 . 2]" 1
299 1 49 ASP H 1 49 ASP QB 3.570 . 4.070 2.144 2.105 2.186 . 0 0 "[ . 1 . 2]" 1
300 1 49 ASP H 1 50 VAL H 3.460 . 3.960 2.697 2.640 2.749 . 0 0 "[ . 1 . 2]" 1
301 1 49 ASP QB 1 50 VAL H 3.640 . 4.140 2.478 2.358 2.609 . 0 0 "[ . 1 . 2]" 1
302 1 49 ASP HA 1 50 VAL H 4.280 . 4.780 3.559 3.538 3.579 . 0 0 "[ . 1 . 2]" 1
303 1 50 VAL H 1 50 VAL HB 3.000 . 3.500 2.317 2.255 2.391 . 0 0 "[ . 1 . 2]" 1
304 1 50 VAL H 1 50 VAL QG 3.910 . 4.410 2.226 2.063 2.361 . 0 0 "[ . 1 . 2]" 1
305 1 50 VAL H 1 51 PHE H 3.400 . 3.900 2.711 2.642 2.779 . 0 0 "[ . 1 . 2]" 1
306 1 50 VAL QG 1 51 PHE H 4.470 . 4.970 3.118 3.016 3.210 . 0 0 "[ . 1 . 2]" 1
307 1 50 VAL HB 1 51 PHE H 3.480 . 3.980 2.539 2.487 2.606 . 0 0 "[ . 1 . 2]" 1
308 1 50 VAL H 1 51 PHE QB 5.000 . 5.500 4.342 4.278 4.394 . 0 0 "[ . 1 . 2]" 1
309 1 50 VAL H 1 66 LEU MD2 5.000 . 5.500 4.762 4.468 5.067 . 0 0 "[ . 1 . 2]" 1
310 1 51 PHE H 1 51 PHE QB 3.230 . 3.730 2.154 2.115 2.181 . 0 0 "[ . 1 . 2]" 1
311 1 51 PHE H 1 51 PHE QD 4.440 . 4.500 4.117 4.085 4.164 . 0 0 "[ . 1 . 2]" 1
312 1 51 PHE QD 1 52 HIS H 4.490 . 4.500 3.379 2.906 3.771 . 0 0 "[ . 1 . 2]" 1
313 1 51 PHE QB 1 52 HIS H 3.630 . 4.130 2.328 2.252 2.403 . 0 0 "[ . 1 . 2]" 1
314 1 51 PHE H 1 52 HIS H 3.670 . 4.170 2.823 2.781 2.875 . 0 0 "[ . 1 . 2]" 1
315 1 51 PHE QE 1 57 ASP H 5.000 . 5.500 3.542 2.546 4.631 . 0 0 "[ . 1 . 2]" 1
316 1 51 PHE QE 1 64 GLY H 4.540 . 5.040 4.798 4.474 5.126 0.086 4 0 "[ . 1 . 2]" 1
317 1 51 PHE QD 1 66 LEU H 4.420 . 4.500 3.823 2.931 4.573 0.073 3 0 "[ . 1 . 2]" 1
318 1 51 PHE QE 1 66 LEU H 5.000 . 5.500 3.074 1.981 4.223 . 0 0 "[ . 1 . 2]" 1
319 1 51 PHE H 1 66 LEU MD2 4.000 . 4.500 3.051 2.778 3.283 . 0 0 "[ . 1 . 2]" 1
320 1 51 PHE QE 1 81 ASP H 3.730 . 4.230 4.175 3.710 4.363 0.133 12 0 "[ . 1 . 2]" 1
321 1 52 HIS H 1 52 HIS QB 3.320 . 3.820 2.226 2.176 2.272 . 0 0 "[ . 1 . 2]" 1
322 1 52 HIS QB 1 53 ASN H 3.710 . 4.210 2.632 2.580 2.700 . 0 0 "[ . 1 . 2]" 1
323 1 52 HIS H 1 53 ASN H 3.340 . 3.840 2.535 2.489 2.589 . 0 0 "[ . 1 . 2]" 1
324 1 52 HIS HA 1 55 LYS H 3.790 . 4.290 3.388 3.293 3.500 . 0 0 "[ . 1 . 2]" 1
325 1 53 ASN H 1 53 ASN QB 3.370 . 3.870 2.181 2.124 2.241 . 0 0 "[ . 1 . 2]" 1
326 1 53 ASN H 1 54 LEU H 3.170 . 3.670 2.710 2.666 2.780 . 0 0 "[ . 1 . 2]" 1
327 1 53 ASN HA 1 54 LEU H 3.950 . 4.450 3.562 3.544 3.580 . 0 0 "[ . 1 . 2]" 1
328 1 53 ASN QB 1 54 LEU H 4.060 . 4.560 2.565 2.445 2.638 . 0 0 "[ . 1 . 2]" 1
329 1 54 LEU H 1 54 LEU QD 3.500 . 4.000 3.106 3.039 3.204 . 0 0 "[ . 1 . 2]" 1
330 1 54 LEU H 1 54 LEU HG 3.330 . 3.830 2.280 2.142 2.590 . 0 0 "[ . 1 . 2]" 1
331 1 54 LEU H 1 54 LEU QB 3.590 . 4.090 2.293 2.199 2.372 . 0 0 "[ . 1 . 2]" 1
332 1 54 LEU H 1 55 LYS H 3.270 . 3.770 2.642 2.602 2.680 . 0 0 "[ . 1 . 2]" 1
333 1 54 LEU HG 1 55 LYS H 4.760 . 5.260 4.597 4.544 4.751 . 0 0 "[ . 1 . 2]" 1
334 1 54 LEU HA 1 55 LYS H 4.020 . 4.520 3.310 3.291 3.332 . 0 0 "[ . 1 . 2]" 1
335 1 55 LYS H 1 55 LYS HA 2.640 . 3.140 2.317 2.292 2.339 . 0 0 "[ . 1 . 2]" 1
336 1 55 LYS H 1 55 LYS QG 3.210 . 3.710 2.747 2.506 3.717 0.007 1 0 "[ . 1 . 2]" 1
337 1 55 LYS H 1 56 MET H 4.000 . 4.500 2.806 2.726 2.862 . 0 0 "[ . 1 . 2]" 1
338 1 55 LYS HA 1 56 MET H 3.840 . 4.340 2.975 2.951 3.016 . 0 0 "[ . 1 . 2]" 1
339 1 55 LYS HA 1 57 ASP H 3.930 . 4.430 3.119 3.005 3.371 . 0 0 "[ . 1 . 2]" 1
340 1 56 MET H 1 56 MET QG 4.010 . 4.510 2.338 2.183 2.551 . 0 0 "[ . 1 . 2]" 1
341 1 56 MET H 1 57 ASP H 3.520 . 4.020 2.623 2.473 2.711 . 0 0 "[ . 1 . 2]" 1
342 1 56 MET HA 1 57 ASP H 4.190 . 4.690 3.457 3.415 3.517 . 0 0 "[ . 1 . 2]" 1
343 1 56 MET HA 1 58 ASN H 4.080 . 4.580 3.413 3.266 3.609 . 0 0 "[ . 1 . 2]" 1
344 1 57 ASP H 1 58 ASN H 4.000 . 4.500 2.636 2.578 2.723 . 0 0 "[ . 1 . 2]" 1
345 1 57 ASP HA 1 58 ASN H 4.080 . 4.580 3.385 3.335 3.459 . 0 0 "[ . 1 . 2]" 1
346 1 58 ASN H 1 58 ASN QB 3.210 . 3.710 2.204 2.102 2.410 . 0 0 "[ . 1 . 2]" 1
347 1 58 ASN H 1 59 THR H 3.860 . 4.360 3.745 2.840 4.043 . 0 0 "[ . 1 . 2]" 1
348 1 58 ASN HA 1 59 THR H 4.000 . 4.500 2.552 2.242 3.511 . 0 0 "[ . 1 . 2]" 1
349 1 58 ASN QB 1 59 THR H 4.750 . 5.250 3.931 2.638 4.052 . 0 0 "[ . 1 . 2]" 1
350 1 58 ASN H 1 138 LEU MD1 5.000 . 5.500 4.847 4.014 5.592 0.092 12 0 "[ . 1 . 2]" 1
351 1 59 THR H 1 59 THR MG 3.610 . 4.110 3.133 2.426 3.915 . 0 0 "[ . 1 . 2]" 1
352 1 59 THR H 1 59 THR HG1 4.000 . 4.500 3.197 1.950 4.390 . 0 0 "[ . 1 . 2]" 1
353 1 59 THR HA 1 60 LYS H 2.640 . 3.140 2.299 2.159 2.393 . 0 0 "[ . 1 . 2]" 1
354 1 59 THR MG 1 60 LYS H 3.860 . 4.360 3.496 2.106 4.037 . 0 0 "[ . 1 . 2]" 1
355 1 59 THR H 1 62 GLN HA 5.000 . 5.500 3.759 3.357 4.845 . 0 0 "[ . 1 . 2]" 1
356 1 59 THR HG1 1 62 GLN H 5.000 . 5.500 3.190 2.039 4.762 . 0 0 "[ . 1 . 2]" 1
357 1 59 THR HG1 1 63 ASN H 4.000 . 4.500 3.149 1.933 4.518 0.018 16 0 "[ . 1 . 2]" 1
358 1 59 THR HG1 1 64 GLY H 5.000 . 5.500 3.938 2.946 4.791 . 0 0 "[ . 1 . 2]" 1
359 1 60 LYS H 1 60 LYS QB 2.940 . 3.440 2.216 2.126 2.366 . 0 0 "[ . 1 . 2]" 1
360 1 60 LYS H 1 60 LYS QG 4.770 . 5.270 3.075 1.936 3.924 . 0 0 "[ . 1 . 2]" 1
361 1 60 LYS H 1 61 LEU H 3.750 . 4.250 2.858 2.725 2.908 . 0 0 "[ . 1 . 2]" 1
362 1 60 LYS QB 1 61 LEU H 3.550 . 4.050 2.472 2.358 2.561 . 0 0 "[ . 1 . 2]" 1
363 1 60 LYS HA 1 61 LEU H 4.400 . 4.900 3.595 3.579 3.610 . 0 0 "[ . 1 . 2]" 1
364 1 60 LYS H 1 62 GLN H 5.000 . 5.500 3.904 3.818 3.966 . 0 0 "[ . 1 . 2]" 1
365 1 61 LEU H 1 61 LEU QB 3.410 . 3.910 2.359 2.313 2.396 . 0 0 "[ . 1 . 2]" 1
366 1 61 LEU H 1 61 LEU QD 3.860 . 4.360 3.221 3.150 3.309 . 0 0 "[ . 1 . 2]" 1
367 1 61 LEU H 1 62 GLN H 3.300 . 3.800 2.429 2.334 2.474 . 0 0 "[ . 1 . 2]" 1
368 1 61 LEU QB 1 62 GLN H 5.240 . 5.740 3.367 3.310 3.432 . 0 0 "[ . 1 . 2]" 1
369 1 61 LEU HA 1 62 GLN H 3.510 . 4.010 3.329 3.287 3.361 . 0 0 "[ . 1 . 2]" 1
370 1 61 LEU QD 1 62 GLN H 5.000 . 5.500 4.363 4.312 4.402 . 0 0 "[ . 1 . 2]" 1
371 1 61 LEU H 1 62 GLN HA 5.000 . 5.500 4.688 4.601 4.746 . 0 0 "[ . 1 . 2]" 1
372 1 62 GLN H 1 62 GLN HA 2.800 . 3.300 2.336 2.320 2.351 . 0 0 "[ . 1 . 2]" 1
373 1 62 GLN H 1 62 GLN QG 3.860 . 4.360 2.567 2.479 2.656 . 0 0 "[ . 1 . 2]" 1
374 1 62 GLN H 1 63 ASN H 4.000 . 4.500 2.713 2.657 2.752 . 0 0 "[ . 1 . 2]" 1
375 1 62 GLN HA 1 63 ASN H 3.310 . 3.810 2.798 2.675 2.935 . 0 0 "[ . 1 . 2]" 1
376 1 62 GLN HA 1 64 GLY H 4.960 . 5.460 3.750 3.612 3.831 . 0 0 "[ . 1 . 2]" 1
377 1 62 GLN QB 1 83 GLY H 4.760 . 5.260 2.552 2.332 2.730 . 0 0 "[ . 1 . 2]" 1
378 1 63 ASN H 1 64 GLY H 3.350 . 3.850 3.144 3.050 3.253 . 0 0 "[ . 1 . 2]" 1
379 1 63 ASN HA 1 64 GLY H 4.070 . 4.570 2.698 2.632 2.757 . 0 0 "[ . 1 . 2]" 1
380 1 63 ASN QB 1 64 GLY H 4.380 . 4.880 3.920 3.878 4.051 . 0 0 "[ . 1 . 2]" 1
381 1 63 ASN H 1 64 GLY QA 5.000 . 5.500 4.223 4.162 4.301 . 0 0 "[ . 1 . 2]" 1
382 1 63 ASN HA 1 84 ILE H 4.680 . 5.180 2.577 2.435 2.788 . 0 0 "[ . 1 . 2]" 1
383 1 64 GLY QA 1 65 VAL H 3.250 . 3.750 2.215 2.189 2.257 . 0 0 "[ . 1 . 2]" 1
384 1 64 GLY H 1 65 VAL H 4.510 . 5.010 4.553 4.530 4.583 . 0 0 "[ . 1 . 2]" 1
385 1 64 GLY H 1 81 ASP QB 4.180 . 4.680 2.082 1.824 2.305 . 0 0 "[ . 1 . 2]" 1
386 1 65 VAL H 1 65 VAL HA 2.860 . 3.360 2.995 2.979 3.003 . 0 0 "[ . 1 . 2]" 1
387 1 65 VAL H 1 65 VAL HB 3.580 . 4.080 2.478 2.431 2.546 . 0 0 "[ . 1 . 2]" 1
388 1 65 VAL H 1 65 VAL QG 3.830 . 4.330 2.846 2.779 2.925 . 0 0 "[ . 1 . 2]" 1
389 1 65 VAL QG 1 66 LEU H 4.040 . 4.540 2.541 2.399 2.695 . 0 0 "[ . 1 . 2]" 1
390 1 65 VAL HA 1 66 LEU H 2.850 . 3.350 2.222 2.195 2.244 . 0 0 "[ . 1 . 2]" 1
391 1 66 LEU H 1 66 LEU HG 4.880 . 5.380 4.367 4.269 4.432 . 0 0 "[ . 1 . 2]" 1
392 1 66 LEU QB 1 67 ILE H 4.950 . 5.450 3.805 3.738 3.857 . 0 0 "[ . 1 . 2]" 1
393 1 66 LEU HA 1 67 ILE H 2.870 . 3.370 2.237 2.222 2.250 . 0 0 "[ . 1 . 2]" 1
394 1 66 LEU QD 1 67 ILE H 4.000 . 4.500 2.574 2.248 2.796 . 0 0 "[ . 1 . 2]" 1
395 1 66 LEU H 1 67 ILE QG 5.010 . 5.510 4.311 4.194 4.421 . 0 0 "[ . 1 . 2]" 1
396 1 66 LEU H 1 79 TYR HA 5.010 . 5.510 4.941 4.716 5.100 . 0 0 "[ . 1 . 2]" 1
397 1 67 ILE H 1 67 ILE HB 3.380 . 3.880 2.470 2.414 2.553 . 0 0 "[ . 1 . 2]" 1
398 1 67 ILE H 1 67 ILE QG 3.950 . 4.450 2.519 2.398 2.642 . 0 0 "[ . 1 . 2]" 1
399 1 67 ILE H 1 67 ILE MG 4.070 . 4.570 3.804 3.779 3.839 . 0 0 "[ . 1 . 2]" 1
400 1 67 ILE HA 1 68 TYR H 2.820 . 3.320 2.235 2.203 2.252 . 0 0 "[ . 1 . 2]" 1
401 1 67 ILE QG 1 68 TYR H 4.000 . 4.500 4.333 4.291 4.408 . 0 0 "[ . 1 . 2]" 1
402 1 67 ILE MG 1 68 TYR H 5.000 . 5.500 3.146 2.919 3.313 . 0 0 "[ . 1 . 2]" 1
403 1 67 ILE QG 1 79 TYR H 4.870 . 5.370 4.240 3.929 4.608 . 0 0 "[ . 1 . 2]" 1
404 1 68 TYR H 1 68 TYR QD 4.460 . 4.960 4.159 4.109 4.199 . 0 0 "[ . 1 . 2]" 1
405 1 68 TYR H 1 68 TYR QB 3.640 . 4.140 2.233 2.181 2.276 . 0 0 "[ . 1 . 2]" 1
406 1 68 TYR QB 1 69 VAL H 4.230 . 4.730 3.869 3.833 3.940 . 0 0 "[ . 1 . 2]" 1
407 1 68 TYR QD 1 69 VAL H 4.270 . 4.770 3.703 3.525 3.921 . 0 0 "[ . 1 . 2]" 1
408 1 68 TYR HA 1 69 VAL H 2.700 . 3.200 2.204 2.179 2.227 . 0 0 "[ . 1 . 2]" 1
409 1 68 TYR QE 1 70 ALA H 4.820 . 5.320 4.443 4.006 4.893 . 0 0 "[ . 1 . 2]" 1
410 1 68 TYR QD 1 77 VAL H 3.790 . 4.290 3.745 3.315 4.117 . 0 0 "[ . 1 . 2]" 1
411 1 68 TYR QB 1 77 VAL H 4.940 . 5.440 3.232 3.051 3.458 . 0 0 "[ . 1 . 2]" 1
412 1 68 TYR H 1 77 VAL H 4.020 . 4.520 3.298 3.105 3.587 . 0 0 "[ . 1 . 2]" 1
413 1 69 VAL H 1 69 VAL HB 3.430 . 3.930 2.411 2.374 2.464 . 0 0 "[ . 1 . 2]" 1
414 1 69 VAL HB 1 70 ALA H 4.820 . 5.320 4.292 4.249 4.341 . 0 0 "[ . 1 . 2]" 1
415 1 69 VAL HA 1 70 ALA H 2.790 . 3.290 2.153 2.134 2.185 . 0 0 "[ . 1 . 2]" 1
416 1 69 VAL QG 1 70 ALA H 5.000 . 5.500 2.550 2.410 2.747 . 0 0 "[ . 1 . 2]" 1
417 1 69 VAL QG 1 71 VAL H 4.450 . 4.950 3.323 2.843 3.781 . 0 0 "[ . 1 . 2]" 1
418 1 69 VAL MG1 1 75 THR H 5.000 . 5.500 3.804 3.577 4.153 . 0 0 "[ . 1 . 2]" 1
419 1 69 VAL HA 1 77 VAL H 4.170 . 4.670 3.372 3.210 3.499 . 0 0 "[ . 1 . 2]" 1
420 1 70 ALA H 1 70 ALA MB 3.220 . 3.720 2.123 2.029 2.265 . 0 0 "[ . 1 . 2]" 1
421 1 70 ALA HA 1 71 VAL H 2.990 . 3.490 2.342 2.270 2.407 . 0 0 "[ . 1 . 2]" 1
422 1 70 ALA MB 1 71 VAL H 4.000 . 4.500 3.618 3.500 3.696 . 0 0 "[ . 1 . 2]" 1
423 1 70 ALA H 1 71 VAL HA 5.000 . 5.500 4.836 4.756 4.923 . 0 0 "[ . 1 . 2]" 1
424 1 70 ALA HA 1 72 GLU H 4.810 . 5.310 3.471 3.352 3.610 . 0 0 "[ . 1 . 2]" 1
425 1 70 ALA MB 1 73 ASP H 3.850 . 4.350 2.575 2.338 2.786 . 0 0 "[ . 1 . 2]" 1
426 1 70 ALA H 1 75 THR H 4.250 . 4.750 3.053 2.961 3.253 . 0 0 "[ . 1 . 2]" 1
427 1 70 ALA MB 1 75 THR H 4.000 . 4.500 2.568 2.181 2.928 . 0 0 "[ . 1 . 2]" 1
428 1 70 ALA HA 1 75 THR H 5.000 . 5.500 4.664 4.543 4.862 . 0 0 "[ . 1 . 2]" 1
429 1 70 ALA H 1 76 PHE HA 3.840 . 4.340 3.262 2.907 3.470 . 0 0 "[ . 1 . 2]" 1
430 1 71 VAL H 1 71 VAL HB 3.610 . 4.110 3.496 2.470 3.578 . 0 0 "[ . 1 . 2]" 1
431 1 71 VAL H 1 71 VAL QG 3.180 . 3.680 1.823 1.742 1.955 0.058 9 0 "[ . 1 . 2]" 1
432 1 71 VAL H 1 72 GLU H 4.040 . 4.540 2.714 2.539 2.847 . 0 0 "[ . 1 . 2]" 1
433 1 71 VAL QG 1 72 GLU H 3.710 . 4.210 2.142 1.955 2.336 . 0 0 "[ . 1 . 2]" 1
434 1 71 VAL HB 1 72 GLU H 3.670 . 4.170 4.019 3.863 4.168 . 0 0 "[ . 1 . 2]" 1
435 1 71 VAL HA 1 72 GLU H 4.650 . 5.150 3.506 3.467 3.532 . 0 0 "[ . 1 . 2]" 1
436 1 71 VAL H 1 72 GLU QB 5.000 . 5.500 4.562 4.350 4.772 . 0 0 "[ . 1 . 2]" 1
437 1 71 VAL HA 1 74 LYS H 4.260 . 4.760 3.067 2.928 3.168 . 0 0 "[ . 1 . 2]" 1
438 1 72 GLU H 1 72 GLU QG 3.730 . 4.230 2.786 2.089 4.000 . 0 0 "[ . 1 . 2]" 1
439 1 72 GLU H 1 72 GLU QB 2.910 . 3.410 2.238 2.107 2.335 . 0 0 "[ . 1 . 2]" 1
440 1 72 GLU H 1 73 ASP H 3.320 . 3.820 2.623 2.585 2.664 . 0 0 "[ . 1 . 2]" 1
441 1 72 GLU HA 1 73 ASP H 4.400 . 4.900 3.578 3.556 3.602 . 0 0 "[ . 1 . 2]" 1
442 1 72 GLU QB 1 73 ASP H 3.410 . 3.910 2.399 2.307 2.500 . 0 0 "[ . 1 . 2]" 1
443 1 72 GLU H 1 74 LYS H 4.910 . 5.410 3.616 3.504 3.722 . 0 0 "[ . 1 . 2]" 1
444 1 72 GLU HA 1 74 LYS H 4.650 . 5.150 4.151 4.065 4.236 . 0 0 "[ . 1 . 2]" 1
445 1 73 ASP H 1 74 LYS H 3.070 . 3.570 2.402 2.346 2.476 . 0 0 "[ . 1 . 2]" 1
446 1 73 ASP HA 1 74 LYS H 3.950 . 4.450 3.300 3.265 3.333 . 0 0 "[ . 1 . 2]" 1
447 1 73 ASP QB 1 74 LYS H 4.690 . 5.190 3.452 3.366 3.925 . 0 0 "[ . 1 . 2]" 1
448 1 73 ASP H 1 74 LYS HA 4.580 . 5.080 4.622 4.580 4.653 . 0 0 "[ . 1 . 2]" 1
449 1 73 ASP H 1 75 THR H 4.630 . 5.130 3.813 3.694 3.885 . 0 0 "[ . 1 . 2]" 1
450 1 74 LYS H 1 74 LYS HA 2.690 . 3.190 2.345 2.312 2.355 . 0 0 "[ . 1 . 2]" 1
451 1 74 LYS H 1 74 LYS QG 3.590 . 4.090 3.733 3.480 4.092 0.002 6 0 "[ . 1 . 2]" 1
452 1 74 LYS H 1 75 THR H 3.340 . 3.840 2.884 2.838 2.925 . 0 0 "[ . 1 . 2]" 1
453 1 74 LYS HA 1 75 THR H 3.140 . 3.640 2.814 2.772 2.860 . 0 0 "[ . 1 . 2]" 1
454 1 75 THR H 1 75 THR HB 3.530 . 4.030 3.341 2.452 3.768 . 0 0 "[ . 1 . 2]" 1
455 1 75 THR H 1 75 THR MG 3.730 . 4.230 2.977 1.913 3.835 . 0 0 "[ . 1 . 2]" 1
456 1 75 THR MG 1 76 PHE H 3.560 . 4.060 3.450 2.276 4.020 . 0 0 "[ . 1 . 2]" 1
457 1 75 THR HB 1 76 PHE H 4.000 . 4.500 3.169 2.488 4.257 . 0 0 "[ . 1 . 2]" 1
458 1 75 THR HA 1 76 PHE H 3.140 . 3.640 2.370 2.164 2.507 . 0 0 "[ . 1 . 2]" 1
459 1 76 PHE H 1 76 PHE QD 4.000 . 4.500 2.468 2.110 2.680 . 0 0 "[ . 1 . 2]" 1
460 1 76 PHE QD 1 77 VAL H 4.160 . 4.660 3.889 3.676 4.063 . 0 0 "[ . 1 . 2]" 1
461 1 76 PHE HA 1 77 VAL H 2.900 . 3.400 2.256 2.234 2.284 . 0 0 "[ . 1 . 2]" 1
462 1 76 PHE QB 1 77 VAL H 3.460 . 3.960 3.095 2.949 3.296 . 0 0 "[ . 1 . 2]" 1
463 1 76 PHE H 1 77 VAL MG2 5.000 . 5.500 3.871 3.635 4.148 . 0 0 "[ . 1 . 2]" 1
464 1 76 PHE QD 1 78 ILE H 5.000 . 5.500 4.332 4.154 4.557 . 0 0 "[ . 1 . 2]" 1
465 1 76 PHE QE 1 101 GLN H 5.000 . 5.500 4.068 3.766 4.308 . 0 0 "[ . 1 . 2]" 1
466 1 77 VAL H 1 77 VAL HB 3.720 . 4.220 2.486 2.443 2.536 . 0 0 "[ . 1 . 2]" 1
467 1 77 VAL HA 1 78 ILE H 2.640 . 3.140 2.327 2.305 2.348 . 0 0 "[ . 1 . 2]" 1
468 1 77 VAL HB 1 78 ILE H 4.900 . 5.400 4.283 4.229 4.354 . 0 0 "[ . 1 . 2]" 1
469 1 77 VAL QG 1 78 ILE H 3.620 . 4.120 2.491 2.290 2.694 . 0 0 "[ . 1 . 2]" 1
470 1 78 ILE H 1 78 ILE HB 3.210 . 3.710 2.505 2.467 2.533 . 0 0 "[ . 1 . 2]" 1
471 1 78 ILE H 1 78 ILE QG 3.490 . 3.990 2.537 2.451 2.662 . 0 0 "[ . 1 . 2]" 1
472 1 78 ILE H 1 78 ILE MG 3.940 . 4.440 3.806 3.781 3.819 . 0 0 "[ . 1 . 2]" 1
473 1 78 ILE HB 1 79 TYR H 4.870 . 5.370 4.262 4.226 4.311 . 0 0 "[ . 1 . 2]" 1
474 1 78 ILE MD 1 97 ARG H 5.000 . 5.500 3.659 3.537 3.841 . 0 0 "[ . 1 . 2]" 1
475 1 78 ILE HB 1 97 ARG HE 5.000 . 5.500 3.146 2.742 3.963 . 0 0 "[ . 1 . 2]" 1
476 1 78 ILE QG 1 97 ARG HE 5.000 . 5.500 4.245 3.798 5.255 . 0 0 "[ . 1 . 2]" 1
477 1 79 TYR H 1 79 TYR HA 2.600 . 3.100 3.018 3.012 3.028 . 0 0 "[ . 1 . 2]" 1
478 1 79 TYR H 1 79 TYR QB 3.540 . 4.040 2.473 2.434 2.518 . 0 0 "[ . 1 . 2]" 1
479 1 79 TYR H 1 79 TYR QD 4.620 . 5.120 4.313 4.277 4.349 . 0 0 "[ . 1 . 2]" 1
480 1 79 TYR H 1 80 GLY H 5.040 . 5.540 4.186 4.149 4.239 . 0 0 "[ . 1 . 2]" 1
481 1 79 TYR QD 1 80 GLY H 4.370 . 4.500 3.596 2.845 3.961 . 0 0 "[ . 1 . 2]" 1
482 1 79 TYR HA 1 80 GLY H 2.500 . 3.000 2.196 2.149 2.238 . 0 0 "[ . 1 . 2]" 1
483 1 79 TYR QB 1 80 GLY H 4.810 . 5.310 3.944 3.887 3.970 . 0 0 "[ . 1 . 2]" 1
484 1 80 GLY QA 1 81 ASP H 3.410 . 3.910 2.272 2.190 2.303 . 0 0 "[ . 1 . 2]" 1
485 1 80 GLY H 1 84 ILE MD 5.000 . 5.500 4.667 4.296 5.043 . 0 0 "[ . 1 . 2]" 1
486 1 80 GLY H 1 93 TRP HE1 5.000 . 5.500 5.638 5.552 5.712 0.212 19 0 "[ . 1 . 2]" 1
487 1 80 GLY QA 1 93 TRP HE1 5.000 . 5.500 4.872 4.648 5.168 . 0 0 "[ . 1 . 2]" 1
488 1 81 ASP H 1 81 ASP QB 3.350 . 3.850 2.169 2.094 2.220 . 0 0 "[ . 1 . 2]" 1
489 1 81 ASP H 1 82 LYS H 4.700 . 5.200 4.615 4.562 4.667 . 0 0 "[ . 1 . 2]" 1
490 1 81 ASP HA 1 82 LYS H 2.850 . 3.350 2.561 2.485 2.618 . 0 0 "[ . 1 . 2]" 1
491 1 81 ASP QB 1 82 LYS H 4.510 . 5.010 2.819 2.148 3.327 . 0 0 "[ . 1 . 2]" 1
492 1 81 ASP QB 1 83 GLY H 4.800 . 5.300 2.661 2.370 2.908 . 0 0 "[ . 1 . 2]" 1
493 1 81 ASP H 1 84 ILE HB 4.510 . 5.010 3.374 3.173 3.836 . 0 0 "[ . 1 . 2]" 1
494 1 81 ASP H 1 84 ILE MD 5.000 . 5.500 2.355 1.841 3.199 . 0 0 "[ . 1 . 2]" 1
495 1 82 LYS H 1 82 LYS QB 3.290 . 3.790 2.268 2.150 2.367 . 0 0 "[ . 1 . 2]" 1
496 1 82 LYS H 1 82 LYS QG 3.690 . 4.190 2.356 1.960 3.913 . 0 0 "[ . 1 . 2]" 1
497 1 82 LYS H 1 83 GLY H 3.980 . 4.480 2.702 2.590 2.762 . 0 0 "[ . 1 . 2]" 1
498 1 82 LYS QB 1 83 GLY H 4.240 . 4.740 2.810 2.762 2.898 . 0 0 "[ . 1 . 2]" 1
499 1 82 LYS HA 1 85 ASN H 3.570 . 4.070 3.610 3.501 3.693 . 0 0 "[ . 1 . 2]" 1
500 1 82 LYS HA 1 86 ASP H 3.680 . 4.180 3.702 3.527 3.868 . 0 0 "[ . 1 . 2]" 1
501 1 83 GLY H 1 84 ILE H 3.570 . 4.070 2.861 2.790 2.945 . 0 0 "[ . 1 . 2]" 1
502 1 83 GLY QA 1 84 ILE H 3.330 . 3.830 2.669 2.613 2.704 . 0 0 "[ . 1 . 2]" 1
503 1 83 GLY QA 1 87 VAL H 5.000 . 5.500 4.281 4.136 4.472 . 0 0 "[ . 1 . 2]" 1
504 1 84 ILE H 1 84 ILE HB 2.970 . 3.470 2.342 2.259 2.521 . 0 0 "[ . 1 . 2]" 1
505 1 84 ILE H 1 84 ILE HG12 3.670 . 4.170 3.661 3.512 3.879 . 0 0 "[ . 1 . 2]" 1
506 1 84 ILE H 1 84 ILE MD 4.050 . 4.550 2.841 2.150 3.504 . 0 0 "[ . 1 . 2]" 1
507 1 84 ILE H 1 84 ILE HG13 3.500 . 4.000 2.301 2.130 2.577 . 0 0 "[ . 1 . 2]" 1
508 1 84 ILE H 1 85 ASN H 3.030 . 3.530 2.657 2.616 2.706 . 0 0 "[ . 1 . 2]" 1
509 1 84 ILE MG 1 85 ASN H 3.600 . 4.100 3.256 3.136 3.532 . 0 0 "[ . 1 . 2]" 1
510 1 84 ILE QG 1 85 ASN H 4.870 . 5.370 4.110 4.021 4.221 . 0 0 "[ . 1 . 2]" 1
511 1 84 ILE HB 1 85 ASN H 3.050 . 3.550 2.453 2.364 2.527 . 0 0 "[ . 1 . 2]" 1
512 1 84 ILE MD 1 85 ASN H 4.580 . 5.080 4.071 3.571 4.427 . 0 0 "[ . 1 . 2]" 1
513 1 84 ILE HB 1 86 ASP H 5.000 . 5.500 5.001 4.910 5.051 . 0 0 "[ . 1 . 2]" 1
514 1 85 ASN H 1 85 ASN QB 3.740 . 4.240 2.203 2.128 2.302 . 0 0 "[ . 1 . 2]" 1
515 1 85 ASN H 1 86 ASP H 3.410 . 3.910 2.812 2.779 2.873 . 0 0 "[ . 1 . 2]" 1
516 1 85 ASN HA 1 86 ASP H 3.990 . 4.490 3.580 3.557 3.602 . 0 0 "[ . 1 . 2]" 1
517 1 85 ASN QB 1 86 ASP H 3.940 . 4.440 2.644 2.573 2.750 . 0 0 "[ . 1 . 2]" 1
518 1 85 ASN HA 1 87 VAL H 4.550 . 5.050 4.170 4.090 4.295 . 0 0 "[ . 1 . 2]" 1
519 1 86 ASP H 1 86 ASP QB 2.540 . 3.040 2.163 2.039 2.222 . 0 0 "[ . 1 . 2]" 1
520 1 86 ASP H 1 87 VAL H 3.160 . 3.660 2.605 2.547 2.662 . 0 0 "[ . 1 . 2]" 1
521 1 86 ASP QB 1 87 VAL H 3.660 . 4.160 2.911 2.844 2.983 . 0 0 "[ . 1 . 2]" 1
522 1 86 ASP H 1 87 VAL MG1 5.000 . 5.500 3.907 3.786 3.997 . 0 0 "[ . 1 . 2]" 1
523 1 87 VAL H 1 87 VAL HB 4.170 . 4.670 3.076 2.637 3.689 . 0 0 "[ . 1 . 2]" 1
524 1 87 VAL H 1 87 VAL QG 2.890 . 3.390 1.994 1.840 2.154 . 0 0 "[ . 1 . 2]" 1
525 1 87 VAL H 1 88 VAL H 2.760 . 3.260 2.286 2.215 2.343 . 0 0 "[ . 1 . 2]" 1
526 1 87 VAL H 1 88 VAL MG2 4.140 . 4.640 3.677 3.588 3.769 . 0 0 "[ . 1 . 2]" 1
527 1 87 VAL HA 1 88 VAL H 3.910 . 4.410 3.524 3.495 3.550 . 0 0 "[ . 1 . 2]" 1
528 1 87 VAL HB 1 88 VAL H 4.700 . 5.200 4.104 4.036 4.152 . 0 0 "[ . 1 . 2]" 1
529 1 87 VAL QG 1 88 VAL H 3.330 . 3.830 2.058 1.954 2.177 . 0 0 "[ . 1 . 2]" 1
530 1 85 ASN HA 1 88 VAL H 3.460 . 3.960 3.627 3.495 3.812 . 0 0 "[ . 1 . 2]" 1
531 1 88 VAL H 1 88 VAL QG 3.100 . 3.600 1.998 1.907 2.051 . 0 0 "[ . 1 . 2]" 1
532 1 88 VAL QG 1 89 SER H 3.760 . 4.260 3.225 3.190 3.272 . 0 0 "[ . 1 . 2]" 1
533 1 88 VAL H 1 89 SER H 4.700 . 5.200 4.551 4.539 4.574 . 0 0 "[ . 1 . 2]" 1
534 1 88 VAL HA 1 89 SER H 2.720 . 3.220 2.397 2.357 2.448 . 0 0 "[ . 1 . 2]" 1
535 1 88 VAL HB 1 89 SER H 2.920 . 3.420 2.611 2.541 2.726 . 0 0 "[ . 1 . 2]" 1
536 1 88 VAL HB 1 92 PHE H 5.000 . 5.500 4.646 4.485 4.836 . 0 0 "[ . 1 . 2]" 1
537 1 89 SER H 1 89 SER QB 3.690 . 4.190 2.399 2.153 2.858 . 0 0 "[ . 1 . 2]" 1
538 1 89 SER QB 1 90 ASP H 3.600 . 4.100 2.458 2.072 3.256 . 0 0 "[ . 1 . 2]" 1
539 1 89 SER HA 1 90 ASP H 2.820 . 3.320 2.551 2.489 2.620 . 0 0 "[ . 1 . 2]" 1
540 1 89 SER H 1 90 ASP H 5.170 . 5.670 4.528 4.475 4.569 . 0 0 "[ . 1 . 2]" 1
541 1 89 SER QB 1 91 ASP H 5.000 . 5.500 3.019 2.554 3.491 . 0 0 "[ . 1 . 2]" 1
542 1 89 SER H 1 92 PHE QD 5.010 . 5.510 3.966 3.859 4.111 . 0 0 "[ . 1 . 2]" 1
543 1 89 SER H 1 92 PHE QB 4.000 . 4.500 2.262 2.192 2.342 . 0 0 "[ . 1 . 2]" 1
544 1 89 SER H 1 93 TRP HE1 5.000 . 5.500 5.706 5.641 5.771 0.271 17 0 "[ . 1 . 2]" 1
545 1 90 ASP H 1 90 ASP QB 3.010 . 3.510 2.151 2.071 2.486 . 0 0 "[ . 1 . 2]" 1
546 1 90 ASP H 1 91 ASP H 3.830 . 4.330 2.685 2.633 2.735 . 0 0 "[ . 1 . 2]" 1
547 1 90 ASP HA 1 91 ASP H 3.950 . 4.450 3.561 3.551 3.581 . 0 0 "[ . 1 . 2]" 1
548 1 90 ASP QB 1 91 ASP H 3.550 . 4.050 2.691 2.493 3.435 . 0 0 "[ . 1 . 2]" 1
549 1 90 ASP HA 1 92 PHE H 4.680 . 5.180 4.281 4.189 4.380 . 0 0 "[ . 1 . 2]" 1
550 1 91 ASP H 1 92 PHE H 3.010 . 3.510 2.670 2.625 2.732 . 0 0 "[ . 1 . 2]" 1
551 1 91 ASP HA 1 92 PHE H 4.080 . 4.580 3.551 3.530 3.569 . 0 0 "[ . 1 . 2]" 1
552 1 91 ASP QB 1 92 PHE H 5.030 . 5.530 2.641 2.498 3.409 . 0 0 "[ . 1 . 2]" 1
553 1 91 ASP HA 1 94 ASP H 4.460 . 4.960 3.131 3.042 3.246 . 0 0 "[ . 1 . 2]" 1
554 1 92 PHE H 1 92 PHE QB 3.010 . 3.510 2.176 2.150 2.210 . 0 0 "[ . 1 . 2]" 1
555 1 92 PHE H 1 92 PHE QD 3.580 . 4.080 4.122 4.090 4.153 0.073 1 0 "[ . 1 . 2]" 1
556 1 92 PHE H 1 93 TRP H 3.600 . 4.100 2.535 2.498 2.585 . 0 0 "[ . 1 . 2]" 1
557 1 92 PHE HA 1 93 TRP H 4.410 . 4.910 3.475 3.467 3.482 . 0 0 "[ . 1 . 2]" 1
558 1 92 PHE QB 1 93 TRP H 3.830 . 4.330 2.856 2.780 2.930 . 0 0 "[ . 1 . 2]" 1
559 1 92 PHE QD 1 93 TRP HE1 3.580 . 4.080 3.357 3.196 3.524 . 0 0 "[ . 1 . 2]" 1
560 1 92 PHE QE 1 93 TRP HE1 5.000 . 5.500 4.102 3.756 4.493 . 0 0 "[ . 1 . 2]" 1
561 1 92 PHE QD 1 93 TRP H 3.580 . 4.080 3.660 3.410 3.864 . 0 0 "[ . 1 . 2]" 1
562 1 92 PHE HA 1 94 ASP H 4.560 . 5.060 4.261 4.168 4.339 . 0 0 "[ . 1 . 2]" 1
563 1 92 PHE HZ 1 124 LEU H 4.870 . 5.370 2.848 2.654 3.012 . 0 0 "[ . 1 . 2]" 1
564 1 93 TRP H 1 93 TRP QB 3.370 . 3.870 1.993 1.941 2.019 . 0 0 "[ . 1 . 2]" 1
565 1 93 TRP H 1 93 TRP HD1 3.500 . 4.000 2.872 2.804 2.935 . 0 0 "[ . 1 . 2]" 1
566 1 93 TRP H 1 94 ASP H 3.020 . 3.520 2.310 2.280 2.355 . 0 0 "[ . 1 . 2]" 1
567 1 93 TRP HA 1 94 ASP H 4.460 . 4.960 3.496 3.484 3.515 . 0 0 "[ . 1 . 2]" 1
568 1 93 TRP QB 1 94 ASP H 4.980 . 5.480 2.814 2.743 2.893 . 0 0 "[ . 1 . 2]" 1
569 1 93 TRP HE3 1 97 ARG HE 4.640 . 5.140 2.866 2.591 3.264 . 0 0 "[ . 1 . 2]" 1
570 1 93 TRP QB 1 97 ARG H 4.760 . 5.260 4.750 4.670 4.840 . 0 0 "[ . 1 . 2]" 1
571 1 94 ASP H 1 94 ASP HA 2.940 . 3.440 2.800 2.779 2.818 . 0 0 "[ . 1 . 2]" 1
572 1 94 ASP H 1 94 ASP QB 3.090 . 3.590 2.148 2.111 2.174 . 0 0 "[ . 1 . 2]" 1
573 1 94 ASP H 1 95 THR H 2.780 . 3.280 2.957 2.906 2.999 . 0 0 "[ . 1 . 2]" 1
574 1 94 ASP QB 1 95 THR H 4.100 . 4.600 2.672 2.528 2.771 . 0 0 "[ . 1 . 2]" 1
575 1 94 ASP HA 1 97 ARG H . . 3.500 3.499 3.443 3.595 0.095 20 0 "[ . 1 . 2]" 1
576 1 94 ASP H 1 97 ARG QB 5.010 . 5.510 5.383 5.289 5.506 . 0 0 "[ . 1 . 2]" 1
577 1 94 ASP HA 1 98 ASN H 3.800 . 4.300 4.301 4.243 4.365 0.065 20 0 "[ . 1 . 2]" 1
578 1 95 THR H 1 95 THR HB 3.800 . 4.300 3.213 2.444 3.581 . 0 0 "[ . 1 . 2]" 1
579 1 95 THR H 1 95 THR MG 3.410 . 3.910 2.661 1.923 3.724 . 0 0 "[ . 1 . 2]" 1
580 1 95 THR H 1 96 THR H 3.630 . 4.130 2.543 2.486 2.595 . 0 0 "[ . 1 . 2]" 1
581 1 95 THR HB 1 96 THR H 4.190 . 4.690 3.383 2.628 3.861 . 0 0 "[ . 1 . 2]" 1
582 1 95 THR HA 1 96 THR H 4.500 . 5.000 3.479 3.466 3.497 . 0 0 "[ . 1 . 2]" 1
583 1 95 THR HA 1 98 ASN H 3.800 . 4.300 3.484 3.407 3.652 . 0 0 "[ . 1 . 2]" 1
584 1 96 THR H 1 96 THR HB 3.070 . 3.570 2.613 2.568 2.656 . 0 0 "[ . 1 . 2]" 1
585 1 96 THR H 1 96 THR MG 4.110 . 4.610 3.642 3.630 3.655 . 0 0 "[ . 1 . 2]" 1
586 1 96 THR H 1 97 ARG H 3.320 . 3.820 2.768 2.719 2.842 . 0 0 "[ . 1 . 2]" 1
587 1 96 THR H 1 97 ARG QB 4.710 . 5.210 4.534 4.461 4.641 . 0 0 "[ . 1 . 2]" 1
588 1 96 THR MG 1 97 ARG H 4.030 . 4.530 3.439 3.392 3.480 . 0 0 "[ . 1 . 2]" 1
589 1 96 THR HB 1 97 ARG H 3.130 . 3.630 2.114 2.076 2.153 . 0 0 "[ . 1 . 2]" 1
590 1 96 THR HA 1 98 ASN H 4.200 . 4.700 4.716 4.641 4.760 0.060 8 0 "[ . 1 . 2]" 1
591 1 96 THR HA 1 99 ALA H 4.380 . 4.880 4.199 4.118 4.256 . 0 0 "[ . 1 . 2]" 1
592 1 96 THR H 1 99 ALA H 5.000 . 5.500 5.080 5.028 5.123 . 0 0 "[ . 1 . 2]" 1
593 1 97 ARG H 1 97 ARG QB 2.900 . 3.400 2.217 2.184 2.282 . 0 0 "[ . 1 . 2]" 1
594 1 97 ARG H 1 97 ARG QG 4.520 . 5.020 2.217 2.166 2.280 . 0 0 "[ . 1 . 2]" 1
595 1 97 ARG H 1 97 ARG QD 4.550 . 5.050 3.617 3.557 3.742 . 0 0 "[ . 1 . 2]" 1
596 1 97 ARG H 1 98 ASN H 3.320 . 3.820 2.703 2.650 2.737 . 0 0 "[ . 1 . 2]" 1
597 1 97 ARG QB 1 98 ASN H 3.130 . 3.630 2.602 2.554 2.681 . 0 0 "[ . 1 . 2]" 1
598 1 97 ARG H 1 99 ALA H 4.270 . 4.770 4.452 4.407 4.487 . 0 0 "[ . 1 . 2]" 1
599 1 97 ARG HA 1 100 ILE H 4.790 . 5.290 3.714 3.626 3.796 . 0 0 "[ . 1 . 2]" 1
600 1 98 ASN H 1 98 ASN QB 2.950 . 3.450 2.219 2.147 2.303 . 0 0 "[ . 1 . 2]" 1
601 1 98 ASN H 1 99 ALA H 3.270 . 3.770 2.807 2.792 2.828 . 0 0 "[ . 1 . 2]" 1
602 1 98 ASN QB 1 99 ALA H 3.590 . 4.090 2.551 2.475 2.600 . 0 0 "[ . 1 . 2]" 1
603 1 98 ASN HA 1 99 ALA H 4.020 . 4.520 3.605 3.592 3.619 . 0 0 "[ . 1 . 2]" 1
604 1 98 ASN HA 1 101 GLN H 4.270 . 4.770 3.662 3.549 3.762 . 0 0 "[ . 1 . 2]" 1
605 1 98 ASN HA 1 102 LEU H 4.410 . 4.910 3.634 3.386 3.757 . 0 0 "[ . 1 . 2]" 1
606 1 99 ALA H 1 99 ALA MB 2.790 . 3.290 2.066 1.904 2.138 . 0 0 "[ . 1 . 2]" 1
607 1 99 ALA HA 1 100 ILE H 4.700 . 5.200 3.603 3.584 3.620 . 0 0 "[ . 1 . 2]" 1
608 1 99 ALA MB 1 100 ILE H 3.450 . 3.950 2.304 2.173 2.470 . 0 0 "[ . 1 . 2]" 1
609 1 100 ILE H 1 100 ILE HB 3.350 . 3.850 2.310 2.246 2.368 . 0 0 "[ . 1 . 2]" 1
610 1 100 ILE H 1 100 ILE QG 3.790 . 4.290 2.164 2.075 2.225 . 0 0 "[ . 1 . 2]" 1
611 1 100 ILE H 1 100 ILE MD 4.020 . 4.520 3.320 3.238 3.405 . 0 0 "[ . 1 . 2]" 1
612 1 100 ILE H 1 100 ILE MG 4.220 . 4.720 3.699 3.674 3.725 . 0 0 "[ . 1 . 2]" 1
613 1 100 ILE H 1 101 GLN H 3.410 . 3.910 2.647 2.614 2.681 . 0 0 "[ . 1 . 2]" 1
614 1 100 ILE MD 1 101 GLN H 5.260 . 5.500 4.392 4.310 4.492 . 0 0 "[ . 1 . 2]" 1
615 1 100 ILE HB 1 101 GLN H 3.360 . 3.860 2.545 2.500 2.580 . 0 0 "[ . 1 . 2]" 1
616 1 100 ILE QG 1 101 GLN H 4.300 . 4.800 4.080 4.036 4.124 . 0 0 "[ . 1 . 2]" 1
617 1 100 ILE HA 1 101 GLN H 4.590 . 5.090 3.560 3.541 3.573 . 0 0 "[ . 1 . 2]" 1
618 1 100 ILE MG 1 101 GLN H 4.050 . 4.550 3.307 3.249 3.398 . 0 0 "[ . 1 . 2]" 1
619 1 100 ILE H 1 116 GLY QA 5.000 . 5.500 3.697 3.536 3.995 . 0 0 "[ . 1 . 2]" 1
620 1 101 GLN H 1 101 GLN QG 4.000 . 4.500 3.923 3.906 3.938 . 0 0 "[ . 1 . 2]" 1
621 1 101 GLN H 1 101 GLN QB 3.290 . 3.790 2.163 2.135 2.190 . 0 0 "[ . 1 . 2]" 1
622 1 101 GLN H 1 102 LEU H 3.510 . 4.010 2.764 2.699 2.843 . 0 0 "[ . 1 . 2]" 1
623 1 101 GLN QG 1 102 LEU H 4.390 . 4.890 3.493 3.339 3.628 . 0 0 "[ . 1 . 2]" 1
624 1 101 GLN QB 1 102 LEU H 4.250 . 4.750 2.435 2.348 2.499 . 0 0 "[ . 1 . 2]" 1
625 1 102 LEU H 1 102 LEU HA 3.000 . 3.500 2.851 2.844 2.855 . 0 0 "[ . 1 . 2]" 1
626 1 102 LEU H 1 102 LEU QB 3.290 . 3.790 2.155 2.067 2.255 . 0 0 "[ . 1 . 2]" 1
627 1 102 LEU H 1 102 LEU QD 4.080 . 4.580 3.215 1.935 3.638 . 0 0 "[ . 1 . 2]" 1
628 1 102 LEU H 1 103 GLN H 3.430 . 3.930 2.780 2.749 2.802 . 0 0 "[ . 1 . 2]" 1
629 1 102 LEU HA 1 103 GLN H 4.030 . 4.530 3.567 3.552 3.579 . 0 0 "[ . 1 . 2]" 1
630 1 103 GLN H 1 103 GLN QG 4.060 . 4.560 3.060 2.062 4.070 . 0 0 "[ . 1 . 2]" 1
631 1 103 GLN H 1 104 PHE H 3.250 . 3.750 2.492 2.443 2.567 . 0 0 "[ . 1 . 2]" 1
632 1 103 GLN HA 1 104 PHE H 4.890 . 5.390 3.539 3.517 3.561 . 0 0 "[ . 1 . 2]" 1
633 1 103 GLN QB 1 104 PHE H 4.590 . 5.090 2.565 2.447 2.671 . 0 0 "[ . 1 . 2]" 1
634 1 103 GLN QG 1 104 PHE H 4.410 . 4.910 4.129 3.883 4.349 . 0 0 "[ . 1 . 2]" 1
635 1 103 GLN HA 1 108 ASN H 4.340 . 4.840 4.082 3.755 4.317 . 0 0 "[ . 1 . 2]" 1
636 1 103 GLN H 1 112 GLY QA 4.370 . 4.870 3.517 3.342 3.702 . 0 0 "[ . 1 . 2]" 1
637 1 103 GLN QB 1 112 GLY H 3.910 . 4.410 2.473 2.287 2.885 . 0 0 "[ . 1 . 2]" 1
638 1 103 GLN QG 1 112 GLY H 5.000 . 5.500 2.887 2.215 3.526 . 0 0 "[ . 1 . 2]" 1
639 1 104 PHE H 1 104 PHE QB 3.540 . 4.040 2.040 2.002 2.081 . 0 0 "[ . 1 . 2]" 1
640 1 104 PHE H 1 104 PHE QD 3.420 . 3.920 2.410 2.257 2.677 . 0 0 "[ . 1 . 2]" 1
641 1 104 PHE H 1 105 LYS H 3.620 . 4.120 2.664 2.623 2.750 . 0 0 "[ . 1 . 2]" 1
642 1 104 PHE QB 1 105 LYS H 4.000 . 4.500 2.580 2.511 2.624 . 0 0 "[ . 1 . 2]" 1
643 1 104 PHE HA 1 105 LYS H 3.460 . 3.960 3.554 3.531 3.582 . 0 0 "[ . 1 . 2]" 1
644 1 104 PHE HA 1 106 GLN H 4.600 . 5.100 4.205 4.070 4.317 . 0 0 "[ . 1 . 2]" 1
645 1 104 PHE HA 1 108 ASN H 3.900 . 4.400 3.668 3.369 3.819 . 0 0 "[ . 1 . 2]" 1
646 1 104 PHE H 1 112 GLY QA 5.010 . 5.500 3.497 3.384 3.693 . 0 0 "[ . 1 . 2]" 1
647 1 104 PHE QE 1 112 GLY H 4.610 . 5.110 4.489 4.114 4.679 . 0 0 "[ . 1 . 2]" 1
648 1 104 PHE QE 1 113 LEU H 4.000 . 4.500 3.115 2.714 3.423 . 0 0 "[ . 1 . 2]" 1
649 1 105 LYS H 1 105 LYS QB 2.960 . 3.460 2.150 2.074 2.224 . 0 0 "[ . 1 . 2]" 1
650 1 105 LYS H 1 105 LYS QG 3.590 . 4.090 3.514 2.346 3.909 . 0 0 "[ . 1 . 2]" 1
651 1 105 LYS H 1 105 LYS QD 3.590 . 4.090 4.106 3.708 4.259 0.169 17 0 "[ . 1 . 2]" 1
652 1 105 LYS H 1 106 GLN H 3.300 . 3.800 2.725 2.677 2.787 . 0 0 "[ . 1 . 2]" 1
653 1 105 LYS HA 1 106 GLN H 4.140 . 4.640 3.580 3.555 3.600 . 0 0 "[ . 1 . 2]" 1
654 1 105 LYS QG 1 106 GLN H 4.510 . 5.010 3.959 3.767 4.338 . 0 0 "[ . 1 . 2]" 1
655 1 106 GLN H 1 106 GLN QG 3.260 . 3.760 2.628 2.133 3.967 0.207 18 0 "[ . 1 . 2]" 1
656 1 106 GLN H 1 106 GLN QB 3.260 . 3.760 2.202 2.132 2.256 . 0 0 "[ . 1 . 2]" 1
657 1 106 GLN H 1 107 GLY H 2.920 . 3.420 2.432 2.342 2.474 . 0 0 "[ . 1 . 2]" 1
658 1 106 GLN QB 1 107 GLY H 4.770 . 5.270 2.959 2.891 3.015 . 0 0 "[ . 1 . 2]" 1
659 1 106 GLN HA 1 107 GLY H 3.790 . 4.290 3.489 3.474 3.509 . 0 0 "[ . 1 . 2]" 1
660 1 106 GLN H 1 108 ASN H 3.940 . 4.440 3.707 3.542 3.831 . 0 0 "[ . 1 . 2]" 1
661 1 106 GLN QB 1 108 ASN H 4.500 . 5.000 2.835 2.657 3.044 . 0 0 "[ . 1 . 2]" 1
662 1 107 GLY QA 1 108 ASN H 3.900 . 4.400 2.966 2.939 2.987 . 0 0 "[ . 1 . 2]" 1
663 1 108 ASN HA 1 109 PHE H 2.970 . 3.470 2.283 2.225 2.375 . 0 0 "[ . 1 . 2]" 1
664 1 108 ASN H 1 109 PHE H 4.750 . 5.250 3.983 3.757 4.085 . 0 0 "[ . 1 . 2]" 1
665 1 108 ASN QB 1 110 LYS H 4.000 . 4.500 4.195 3.979 4.663 0.163 17 0 "[ . 1 . 2]" 1
666 1 108 ASN QB 1 111 GLN H 4.930 . 5.430 2.975 2.744 3.698 . 0 0 "[ . 1 . 2]" 1
667 1 109 PHE H 1 109 PHE QB 3.320 . 3.820 2.364 2.081 2.565 . 0 0 "[ . 1 . 2]" 1
668 1 109 PHE H 1 110 LYS H 3.800 . 4.300 2.795 2.746 2.863 . 0 0 "[ . 1 . 2]" 1
669 1 109 PHE HA 1 110 LYS H 4.640 . 5.140 3.588 3.563 3.599 . 0 0 "[ . 1 . 2]" 1
670 1 109 PHE QB 1 110 LYS H 3.440 . 3.940 2.400 2.304 2.507 . 0 0 "[ . 1 . 2]" 1
671 1 110 LYS H 1 110 LYS QB 2.860 . 3.360 2.184 2.065 2.383 . 0 0 "[ . 1 . 2]" 1
672 1 110 LYS H 1 111 GLN H 3.520 . 4.020 2.896 2.848 2.943 . 0 0 "[ . 1 . 2]" 1
673 1 111 GLN H 1 111 GLN QB 3.220 . 3.720 2.288 2.193 2.362 . 0 0 "[ . 1 . 2]" 1
674 1 111 GLN H 1 111 GLN QG 4.030 . 4.530 2.667 2.009 3.950 . 0 0 "[ . 1 . 2]" 1
675 1 111 GLN H 1 112 GLY H 3.700 . 4.200 2.754 2.728 2.790 . 0 0 "[ . 1 . 2]" 1
676 1 111 GLN QB 1 112 GLY H 3.800 . 4.300 2.623 2.530 2.695 . 0 0 "[ . 1 . 2]" 1
677 1 111 GLN HA 1 112 GLY H 5.260 . 5.760 3.567 3.550 3.589 . 0 0 "[ . 1 . 2]" 1
678 1 111 GLN HA 1 113 LEU H 5.000 . 5.500 4.641 4.504 4.753 . 0 0 "[ . 1 . 2]" 1
679 1 111 GLN HA 1 114 VAL H 3.890 . 4.390 3.584 3.477 3.708 . 0 0 "[ . 1 . 2]" 1
680 1 111 GLN HA 1 115 ASP H 4.100 . 4.500 3.632 3.530 3.726 . 0 0 "[ . 1 . 2]" 1
681 1 112 GLY H 1 113 LEU H 3.580 . 4.080 2.745 2.675 2.811 . 0 0 "[ . 1 . 2]" 1
682 1 112 GLY QA 1 113 LEU H 3.700 . 4.200 2.662 2.634 2.694 . 0 0 "[ . 1 . 2]" 1
683 1 112 GLY QA 1 115 ASP H 4.780 . 5.280 3.697 3.458 3.826 . 0 0 "[ . 1 . 2]" 1
684 1 113 LEU H 1 113 LEU QD 3.360 . 3.860 3.051 2.990 3.176 . 0 0 "[ . 1 . 2]" 1
685 1 113 LEU H 1 113 LEU HG 3.350 . 3.850 2.198 2.096 2.469 . 0 0 "[ . 1 . 2]" 1
686 1 113 LEU H 1 114 VAL H 3.620 . 4.120 2.768 2.675 2.826 . 0 0 "[ . 1 . 2]" 1
687 1 113 LEU QB 1 114 VAL H 4.430 . 4.930 2.446 2.380 2.556 . 0 0 "[ . 1 . 2]" 1
688 1 113 LEU H 1 115 ASP H 4.700 . 5.200 4.365 4.249 4.455 . 0 0 "[ . 1 . 2]" 1
689 1 114 VAL H 1 114 VAL HB 3.080 . 3.580 2.348 2.258 2.415 . 0 0 "[ . 1 . 2]" 1
690 1 114 VAL H 1 114 VAL QG 2.850 . 3.350 2.092 1.968 2.236 . 0 0 "[ . 1 . 2]" 1
691 1 114 VAL H 1 115 ASP H 3.490 . 3.990 2.766 2.705 2.829 . 0 0 "[ . 1 . 2]" 1
692 1 114 VAL QG 1 115 ASP H 3.230 . 3.730 2.943 1.829 3.120 . 0 0 "[ . 1 . 2]" 1
693 1 114 VAL HB 1 115 ASP H 3.160 . 3.660 2.572 2.351 3.797 0.137 13 0 "[ . 1 . 2]" 1
694 1 114 VAL HA 1 115 ASP H 4.610 . 5.110 3.589 3.559 3.605 . 0 0 "[ . 1 . 2]" 1
695 1 114 VAL H 1 117 ILE MD 5.000 . 5.500 4.111 3.694 5.612 0.112 10 0 "[ . 1 . 2]" 1
696 1 115 ASP H 1 115 ASP QB 3.490 . 3.990 2.134 2.078 2.187 . 0 0 "[ . 1 . 2]" 1
697 1 115 ASP H 1 116 GLY H 3.120 . 3.620 2.721 2.685 2.772 . 0 0 "[ . 1 . 2]" 1
698 1 115 ASP HA 1 118 GLU H 4.680 . 5.180 3.420 3.312 3.529 . 0 0 "[ . 1 . 2]" 1
699 1 115 ASP HA 1 119 LYS H 4.970 . 5.470 4.078 3.890 4.248 . 0 0 "[ . 1 . 2]" 1
700 1 116 GLY H 1 117 ILE H 3.560 . 4.060 2.725 2.677 2.844 . 0 0 "[ . 1 . 2]" 1
701 1 116 GLY QA 1 117 ILE H 4.380 . 4.880 2.722 2.704 2.741 . 0 0 "[ . 1 . 2]" 1
702 1 116 GLY QA 1 119 LYS H 4.470 . 4.970 3.614 3.471 3.731 . 0 0 "[ . 1 . 2]" 1
703 1 116 GLY QA 1 120 ALA H 4.700 . 5.200 3.818 3.736 3.918 . 0 0 "[ . 1 . 2]" 1
704 1 117 ILE H 1 117 ILE HB 4.000 . 4.500 2.334 2.289 2.607 . 0 0 "[ . 1 . 2]" 1
705 1 117 ILE H 1 117 ILE MG 3.260 . 3.760 3.701 3.683 3.740 . 0 0 "[ . 1 . 2]" 1
706 1 117 ILE H 1 117 ILE QG 3.540 . 4.040 2.117 1.921 2.167 . 0 0 "[ . 1 . 2]" 1
707 1 117 ILE H 1 118 GLU H 3.420 . 3.920 2.739 2.709 2.769 . 0 0 "[ . 1 . 2]" 1
708 1 117 ILE MG 1 118 GLU H 3.830 . 4.330 3.298 3.213 3.535 . 0 0 "[ . 1 . 2]" 1
709 1 117 ILE HB 1 118 GLU H 3.430 . 3.930 2.525 2.432 2.570 . 0 0 "[ . 1 . 2]" 1
710 1 117 ILE HA 1 118 GLU H 4.210 . 4.710 3.594 3.574 3.607 . 0 0 "[ . 1 . 2]" 1
711 1 117 ILE HA 1 120 ALA H 4.020 . 4.520 3.479 3.349 3.639 . 0 0 "[ . 1 . 2]" 1
712 1 118 GLU H 1 118 GLU QB 3.320 . 3.820 2.240 2.134 2.390 . 0 0 "[ . 1 . 2]" 1
713 1 118 GLU H 1 119 LYS H 3.550 . 4.050 2.864 2.775 2.943 . 0 0 "[ . 1 . 2]" 1
714 1 118 GLU HA 1 119 LYS H 4.470 . 4.970 3.586 3.562 3.611 . 0 0 "[ . 1 . 2]" 1
715 1 118 GLU QB 1 119 LYS H 2.870 . 3.370 2.301 2.195 2.416 . 0 0 "[ . 1 . 2]" 1
716 1 118 GLU H 1 120 ALA MB 5.000 . 5.500 4.471 4.348 4.666 . 0 0 "[ . 1 . 2]" 1
717 1 119 LYS H 1 119 LYS QB 3.640 . 4.140 2.301 2.226 2.372 . 0 0 "[ . 1 . 2]" 1
718 1 119 LYS H 1 119 LYS QD 3.300 . 3.800 3.629 3.432 3.748 . 0 0 "[ . 1 . 2]" 1
719 1 119 LYS H 1 119 LYS QG 3.900 . 4.400 2.137 2.071 2.237 . 0 0 "[ . 1 . 2]" 1
720 1 119 LYS QG 1 120 ALA H 4.460 . 4.960 4.054 3.972 4.105 . 0 0 "[ . 1 . 2]" 1
721 1 119 LYS QB 1 120 ALA H 4.130 . 4.630 2.474 2.414 2.540 . 0 0 "[ . 1 . 2]" 1
722 1 119 LYS HA 1 120 ALA H 4.210 . 4.710 3.565 3.550 3.573 . 0 0 "[ . 1 . 2]" 1
723 1 119 LYS H 1 120 ALA H 3.280 . 3.780 2.694 2.653 2.720 . 0 0 "[ . 1 . 2]" 1
724 1 119 LYS HA 1 122 MET H 4.250 . 4.750 3.429 3.308 3.586 . 0 0 "[ . 1 . 2]" 1
725 1 120 ALA H 1 120 ALA MB 2.830 . 3.330 2.050 1.911 2.144 . 0 0 "[ . 1 . 2]" 1
726 1 120 ALA H 1 121 GLY H 3.410 . 3.910 2.762 2.696 2.852 . 0 0 "[ . 1 . 2]" 1
727 1 120 ALA HA 1 121 GLY H 3.400 . 3.900 3.569 3.545 3.580 . 0 0 "[ . 1 . 2]" 1
728 1 120 ALA MB 1 121 GLY H 3.200 . 3.700 2.463 2.279 2.639 . 0 0 "[ . 1 . 2]" 1
729 1 120 ALA MB 1 124 LEU H 5.000 . 5.500 4.405 4.341 4.482 . 0 0 "[ . 1 . 2]" 1
730 1 121 GLY H 1 122 MET H 3.300 . 3.800 2.749 2.699 2.801 . 0 0 "[ . 1 . 2]" 1
731 1 121 GLY QA 1 122 MET H 3.730 . 4.230 2.726 2.706 2.750 . 0 0 "[ . 1 . 2]" 1
732 1 121 GLY H 1 124 LEU QB 4.810 . 5.310 4.593 4.423 4.706 . 0 0 "[ . 1 . 2]" 1
733 1 122 MET H 1 122 MET QB 2.960 . 3.460 2.250 2.161 2.354 . 0 0 "[ . 1 . 2]" 1
734 1 122 MET H 1 122 MET QG 3.940 . 4.440 2.620 2.016 4.002 . 0 0 "[ . 1 . 2]" 1
735 1 122 MET H 1 123 ALA H 3.230 . 3.730 2.677 2.623 2.726 . 0 0 "[ . 1 . 2]" 1
736 1 122 MET HA 1 123 ALA H 3.230 . 3.730 3.576 3.550 3.601 . 0 0 "[ . 1 . 2]" 1
737 1 122 MET QB 1 123 ALA H 3.260 . 3.760 2.381 2.276 2.465 . 0 0 "[ . 1 . 2]" 1
738 1 123 ALA H 1 123 ALA MB 2.800 . 3.300 2.018 1.954 2.137 . 0 0 "[ . 1 . 2]" 1
739 1 123 ALA H 1 124 LEU H 3.310 . 3.810 2.708 2.643 2.776 . 0 0 "[ . 1 . 2]" 1
740 1 123 ALA MB 1 124 LEU H 3.110 . 3.610 2.405 2.330 2.516 . 0 0 "[ . 1 . 2]" 1
741 1 123 ALA HA 1 124 LEU H 4.130 . 4.630 3.570 3.543 3.584 . 0 0 "[ . 1 . 2]" 1
742 1 123 ALA HA 1 126 LYS H 4.490 . 4.990 3.597 3.524 3.691 . 0 0 "[ . 1 . 2]" 1
743 1 124 LEU H 1 124 LEU QB 2.950 . 3.450 2.248 2.163 2.288 . 0 0 "[ . 1 . 2]" 1
744 1 124 LEU H 1 125 ALA H 3.490 . 3.990 2.680 2.657 2.707 . 0 0 "[ . 1 . 2]" 1
745 1 124 LEU QB 1 125 ALA H 3.670 . 4.170 2.529 2.456 2.628 . 0 0 "[ . 1 . 2]" 1
746 1 124 LEU HA 1 127 TYR H 5.000 . 5.500 3.375 3.302 3.448 . 0 0 "[ . 1 . 2]" 1
747 1 125 ALA H 1 125 ALA MB 2.650 . 3.150 2.057 1.946 2.167 . 0 0 "[ . 1 . 2]" 1
748 1 125 ALA H 1 126 LYS H 3.410 . 3.910 2.836 2.802 2.863 . 0 0 "[ . 1 . 2]" 1
749 1 125 ALA MB 1 126 LYS H 2.900 . 3.400 2.686 2.599 2.784 . 0 0 "[ . 1 . 2]" 1
750 1 125 ALA HA 1 128 PHE H 4.080 . 4.580 3.223 3.094 3.361 . 0 0 "[ . 1 . 2]" 1
751 1 126 LYS H 1 126 LYS QB 3.010 . 3.510 2.222 2.136 2.340 . 0 0 "[ . 1 . 2]" 1
752 1 126 LYS H 1 126 LYS QG 4.650 . 5.150 3.088 1.953 3.928 . 0 0 "[ . 1 . 2]" 1
753 1 126 LYS H 1 127 TYR H 3.200 . 3.700 2.655 2.620 2.689 . 0 0 "[ . 1 . 2]" 1
754 1 126 LYS HA 1 127 TYR H 4.710 . 5.210 3.546 3.538 3.556 . 0 0 "[ . 1 . 2]" 1
755 1 126 LYS QB 1 127 TYR H 4.030 . 4.530 2.405 2.305 2.509 . 0 0 "[ . 1 . 2]" 1
756 1 126 LYS H 1 128 PHE H 4.550 . 5.050 4.001 3.885 4.097 . 0 0 "[ . 1 . 2]" 1
757 1 126 LYS QB 1 128 PHE H 5.000 . 5.500 4.561 4.480 4.638 . 0 0 "[ . 1 . 2]" 1
758 1 127 TYR H 1 127 TYR QB 3.710 . 4.210 2.206 2.130 2.277 . 0 0 "[ . 1 . 2]" 1
759 1 127 TYR H 1 128 PHE H 2.760 . 3.260 2.500 2.371 2.579 . 0 0 "[ . 1 . 2]" 1
760 1 127 TYR HA 1 128 PHE H 4.080 . 4.580 3.551 3.527 3.571 . 0 0 "[ . 1 . 2]" 1
761 1 127 TYR QB 1 128 PHE H 4.270 . 4.770 2.553 2.473 2.697 . 0 0 "[ . 1 . 2]" 1
762 1 128 PHE H 1 128 PHE QD 3.610 . 4.110 3.091 2.483 3.550 . 0 0 "[ . 1 . 2]" 1
763 1 128 PHE H 1 129 PRO QD 4.970 . 5.470 3.666 3.553 3.815 . 0 0 "[ . 1 . 2]" 1
764 1 129 PRO QB 1 130 TRP H 3.870 . 4.370 2.960 2.876 3.106 . 0 0 "[ . 1 . 2]" 1
765 1 129 PRO HA 1 130 TRP H 4.990 . 5.490 2.275 2.251 2.299 . 0 0 "[ . 1 . 2]" 1
766 1 130 TRP H 1 130 TRP QB 3.080 . 3.580 2.178 2.145 2.209 . 0 0 "[ . 1 . 2]" 1
767 1 130 TRP H 1 130 TRP HD1 5.000 3.300 5.500 4.736 4.685 4.793 . 0 0 "[ . 1 . 2]" 1
768 1 130 TRP QB 1 131 LYS H 4.650 . 5.150 3.709 3.312 3.833 . 0 0 "[ . 1 . 2]" 1
769 1 130 TRP HA 1 131 LYS H 2.680 . 3.180 2.231 2.178 2.381 . 0 0 "[ . 1 . 2]" 1
770 1 130 TRP HD1 1 131 LYS H 5.000 . 5.500 3.742 3.220 3.991 . 0 0 "[ . 1 . 2]" 1
771 1 130 TRP HE3 1 132 LYS H 5.000 . 5.500 4.761 4.394 5.024 . 0 0 "[ . 1 . 2]" 1
772 1 130 TRP HE1 1 132 LYS HA 5.000 . 5.500 5.618 5.506 5.697 0.197 4 0 "[ . 1 . 2]" 1
773 1 130 TRP HE1 1 134 ASP QB 4.000 . 4.500 2.472 2.237 2.654 . 0 0 "[ . 1 . 2]" 1
774 1 130 TRP HE1 1 134 ASP H 5.000 . 5.500 4.841 4.571 4.996 . 0 0 "[ . 1 . 2]" 1
775 1 131 LYS H 1 131 LYS QG 3.390 . 3.890 2.662 2.269 3.059 . 0 0 "[ . 1 . 2]" 1
776 1 131 LYS H 1 131 LYS QE 4.170 . 4.670 4.671 3.894 4.795 0.125 3 0 "[ . 1 . 2]" 1
777 1 131 LYS HA 1 132 LYS H 2.700 . 3.200 2.321 2.274 2.348 . 0 0 "[ . 1 . 2]" 1
778 1 131 LYS H 1 132 LYS H 4.620 . 5.120 4.514 4.378 4.563 . 0 0 "[ . 1 . 2]" 1
779 1 131 LYS QB 1 133 ASP H 3.380 . 3.880 2.783 2.597 3.084 . 0 0 "[ . 1 . 2]" 1
780 1 131 LYS H 1 134 ASP QB 5.000 . 5.500 2.247 2.070 2.446 . 0 0 "[ . 1 . 2]" 1
781 1 131 LYS QB 1 134 ASP H 4.480 . 4.980 3.023 2.839 3.868 . 0 0 "[ . 1 . 2]" 1
782 1 131 LYS H 1 134 ASP H 5.000 . 5.500 3.686 3.579 3.809 . 0 0 "[ . 1 . 2]" 1
783 1 132 LYS H 1 132 LYS QB 2.830 . 3.330 2.290 2.139 2.394 . 0 0 "[ . 1 . 2]" 1
784 1 132 LYS QB 1 133 ASP H 3.390 . 3.890 2.764 2.639 2.874 . 0 0 "[ . 1 . 2]" 1
785 1 132 LYS HA 1 133 ASP H 3.480 . 3.980 3.530 3.513 3.564 . 0 0 "[ . 1 . 2]" 1
786 1 132 LYS HA 1 134 ASP H 4.090 . 4.590 3.727 3.653 3.795 . 0 0 "[ . 1 . 2]" 1
787 1 133 ASP H 1 134 ASP H 3.120 . 3.620 2.565 2.515 2.612 . 0 0 "[ . 1 . 2]" 1
788 1 133 ASP HA 1 134 ASP H 3.690 . 4.190 3.245 3.212 3.270 . 0 0 "[ . 1 . 2]" 1
789 1 134 ASP H 1 134 ASP QB 2.900 . 3.400 2.132 2.091 2.170 . 0 0 "[ . 1 . 2]" 1
790 1 134 ASP H 1 135 ILE H 4.460 . 4.960 4.593 4.568 4.626 . 0 0 "[ . 1 . 2]" 1
791 1 134 ASP QB 1 135 ILE H 4.520 . 5.020 3.687 3.647 3.721 . 0 0 "[ . 1 . 2]" 1
792 1 134 ASP HA 1 135 ILE H 2.500 . 3.000 2.195 2.175 2.247 . 0 0 "[ . 1 . 2]" 1
793 1 135 ILE H 1 135 ILE HB 3.190 . 3.690 3.664 3.592 3.757 0.067 12 0 "[ . 1 . 2]" 1
794 1 135 ILE H 1 135 ILE HG12 3.750 . 4.250 3.486 3.448 3.594 . 0 0 "[ . 1 . 2]" 1
795 1 135 ILE H 1 135 ILE MD 4.130 . 4.630 1.883 1.783 1.985 0.017 2 0 "[ . 1 . 2]" 1
796 1 135 ILE H 1 135 ILE HG13 3.740 . 4.240 2.750 1.941 3.963 . 0 0 "[ . 1 . 2]" 1
797 1 135 ILE HA 1 136 ASP H 3.270 . 3.770 2.262 2.165 2.355 . 0 0 "[ . 1 . 2]" 1
798 1 135 ILE HB 1 136 ASP H 4.650 . 5.150 3.154 2.890 3.352 . 0 0 "[ . 1 . 2]" 1
799 1 135 ILE MG 1 136 ASP H 4.050 . 4.550 3.860 3.524 4.314 . 0 0 "[ . 1 . 2]" 1
800 1 136 ASP HA 1 137 GLU H 2.700 . 3.200 2.292 2.240 2.356 . 0 0 "[ . 1 . 2]" 1
801 1 137 GLU H 1 137 GLU QG 3.130 . 3.630 2.159 1.953 2.597 . 0 0 "[ . 1 . 2]" 1
802 1 137 GLU H 1 137 GLU QB 3.460 . 3.960 2.298 2.213 2.636 . 0 0 "[ . 1 . 2]" 1
803 1 137 GLU H 1 138 LEU H 3.490 . 3.990 2.628 2.248 2.760 . 0 0 "[ . 1 . 2]" 1
804 1 137 GLU QG 1 138 LEU H 3.900 . 4.400 4.062 2.648 4.377 . 0 0 "[ . 1 . 2]" 1
805 1 138 LEU H 1 138 LEU HA 2.580 . 3.080 2.985 2.965 3.003 . 0 0 "[ . 1 . 2]" 1
806 1 138 LEU H 1 138 LEU QB 3.080 . 3.580 2.160 2.035 2.276 . 0 0 "[ . 1 . 2]" 1
807 1 138 LEU H 1 138 LEU QD 3.500 . 4.000 3.004 2.295 3.569 . 0 0 "[ . 1 . 2]" 1
808 1 138 LEU H 1 139 PRO QD 4.000 . 4.500 4.435 4.381 4.463 . 0 0 "[ . 1 . 2]" 1
809 1 139 PRO HA 1 140 ASN H 2.780 . 3.280 2.707 2.529 2.813 . 0 0 "[ . 1 . 2]" 1
810 1 139 PRO QB 1 140 ASN H 4.130 . 4.630 2.310 2.048 2.729 . 0 0 "[ . 1 . 2]" 1
811 1 139 PRO HA 1 141 THR H 3.740 . 4.240 4.269 4.038 4.409 0.169 6 0 "[ . 1 . 2]" 1
812 1 139 PRO QB 1 141 THR H 4.000 . 4.500 2.303 2.228 2.364 . 0 0 "[ . 1 . 2]" 1
813 1 140 ASN H 1 141 THR H 3.160 . 3.660 2.109 1.991 2.371 . 0 0 "[ . 1 . 2]" 1
814 1 140 ASN HA 1 141 THR H 4.410 . 4.910 3.320 3.270 3.358 . 0 0 "[ . 1 . 2]" 1
815 1 140 ASN H 1 141 THR HB 5.000 . 5.500 4.948 3.929 5.612 0.112 13 0 "[ . 1 . 2]" 1
816 1 140 ASN QB 1 141 THR H 4.990 . 5.490 3.553 3.351 3.904 . 0 0 "[ . 1 . 2]" 1
817 1 141 THR H 1 141 THR HB 4.000 . 4.500 3.039 2.373 3.525 . 0 0 "[ . 1 . 2]" 1
818 1 141 THR H 1 141 THR MG 3.260 . 3.760 2.579 1.892 3.687 . 0 0 "[ . 1 . 2]" 1
819 1 141 THR H 1 142 ILE H 4.590 . 5.090 4.636 4.607 4.660 . 0 0 "[ . 1 . 2]" 1
820 1 141 THR HA 1 142 ILE H 2.710 . 3.210 2.366 2.185 2.527 . 0 0 "[ . 1 . 2]" 1
821 1 141 THR MG 1 142 ILE H 4.000 . 4.500 3.283 1.890 3.836 . 0 0 "[ . 1 . 2]" 1
822 1 142 ILE H 1 142 ILE HG13 4.000 . 4.500 2.425 1.960 3.649 . 0 0 "[ . 1 . 2]" 1
823 1 142 ILE H 1 142 ILE MG 4.000 . 4.500 3.718 3.678 3.767 . 0 0 "[ . 1 . 2]" 1
824 1 142 ILE H 1 142 ILE MD 4.000 . 4.500 3.418 3.205 3.609 . 0 0 "[ . 1 . 2]" 1
825 1 142 ILE H 1 142 ILE HB 4.000 . 4.500 2.350 2.287 2.424 . 0 0 "[ . 1 . 2]" 1
826 1 142 ILE H 1 142 ILE HG12 4.270 . 4.770 3.499 2.181 3.854 . 0 0 "[ . 1 . 2]" 1
827 1 142 ILE HB 1 143 SER H 4.680 . 5.180 4.157 4.082 4.232 . 0 0 "[ . 1 . 2]" 1
828 1 142 ILE MG 1 143 SER H 3.180 . 3.680 2.441 2.168 2.643 . 0 0 "[ . 1 . 2]" 1
829 1 142 ILE QG 1 143 SER H 5.230 . 5.730 4.170 4.041 4.720 . 0 0 "[ . 1 . 2]" 1
830 1 143 SER H 1 143 SER QB 3.350 . 3.850 2.223 2.109 2.539 . 0 0 "[ . 1 . 2]" 1
831 1 143 SER H 1 144 LYS H 5.000 . 5.500 4.535 4.195 4.585 . 0 0 "[ . 1 . 2]" 1
832 1 143 SER QB 1 144 LYS H 4.310 . 4.810 3.481 3.024 4.048 . 0 0 "[ . 1 . 2]" 1
833 1 143 SER HA 1 144 LYS H 2.530 . 3.030 2.236 2.210 2.300 . 0 0 "[ . 1 . 2]" 1
834 1 144 LYS H 1 144 LYS QG 3.700 . 4.200 3.220 2.075 4.046 . 0 0 "[ . 1 . 2]" 1
835 1 144 LYS H 1 145 GLY H 5.000 . 5.500 4.452 4.363 4.589 . 0 0 "[ . 1 . 2]" 1
836 1 144 LYS QB 1 145 GLY H 3.790 . 4.290 3.241 2.762 3.838 . 0 0 "[ . 1 . 2]" 1
837 1 144 LYS QG 1 145 GLY H 5.000 . 5.500 3.542 2.575 4.091 . 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 446
_Distance_constraint_stats_list.Viol_count 398
_Distance_constraint_stats_list.Viol_total 583.865
_Distance_constraint_stats_list.Viol_max 0.387
_Distance_constraint_stats_list.Viol_rms 0.0216
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0733
_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 4 ILE 0.598 0.147 15 0 "[ . 1 . 2]"
1 7 PHE 2.867 0.227 9 0 "[ . 1 . 2]"
1 8 LEU 0.015 0.015 19 0 "[ . 1 . 2]"
1 9 THR 0.111 0.066 18 0 "[ . 1 . 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.111 0.066 18 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 1.927 0.267 5 0 "[ . 1 . 2]"
1 17 VAL 0.279 0.244 5 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 0.555 0.083 5 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.447 0.083 5 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASN 0.010 0.010 9 0 "[ . 1 . 2]"
1 27 THR 2.100 0.164 12 0 "[ . 1 . 2]"
1 28 SER 5.936 0.387 3 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.138 0.062 6 0 "[ . 1 . 2]"
1 31 ILE 1.422 0.167 19 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.343 0.075 17 0 "[ . 1 . 2]"
1 35 LEU 0.389 0.115 6 0 "[ . 1 . 2]"
1 36 GLU 0.228 0.075 17 0 "[ . 1 . 2]"
1 37 LYS 0.943 0.219 5 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.313 0.142 4 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ILE 0.313 0.142 4 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.229 0.074 8 0 "[ . 1 . 2]"
1 44 PHE 0.174 0.061 20 0 "[ . 1 . 2]"
1 45 ASP 0.061 0.061 20 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.234 0.061 9 0 "[ . 1 . 2]"
1 48 MET 0.175 0.064 20 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.502 0.129 1 0 "[ . 1 . 2]"
1 51 PHE 0.071 0.061 7 0 "[ . 1 . 2]"
1 52 HIS 1.845 0.133 8 0 "[ . 1 . 2]"
1 53 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.076 0.035 20 0 "[ . 1 . 2]"
1 56 MET 0.326 0.126 11 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 2.100 0.164 12 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.246 0.071 12 0 "[ . 1 . 2]"
1 66 LEU 0.010 0.005 8 0 "[ . 1 . 2]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 TYR 0.660 0.129 1 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 1.595 0.150 2 0 "[ . 1 . 2]"
1 72 GLU 1.182 0.219 5 0 "[ . 1 . 2]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LYS 1.279 0.182 5 0 "[ . 1 . 2]"
1 75 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.377 0.073 7 0 "[ . 1 . 2]"
1 77 VAL 0.229 0.074 8 0 "[ . 1 . 2]"
1 78 ILE 0.377 0.072 7 0 "[ . 1 . 2]"
1 79 TYR 1.784 0.133 8 0 "[ . 1 . 2]"
1 80 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASP 0.061 0.061 7 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 3.756 0.242 5 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.582 0.090 11 0 "[ . 1 . 2]"
1 88 VAL 1.497 0.242 5 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TRP 2.208 0.192 10 0 "[ . 1 . 2]"
1 94 ASP 0.071 0.071 7 0 "[ . 1 . 2]"
1 95 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 0.552 0.072 7 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASN 0.071 0.071 7 0 "[ . 1 . 2]"
1 99 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ILE 1.855 0.267 5 0 "[ . 1 . 2]"
1 101 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.103 0.076 18 0 "[ . 1 . 2]"
1 103 GLN 0.345 0.092 10 0 "[ . 1 . 2]"
1 104 PHE 1.369 0.150 2 0 "[ . 1 . 2]"
1 105 LYS 0.089 0.037 7 0 "[ . 1 . 2]"
1 106 GLN 0.103 0.076 18 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 PHE 3.752 0.227 9 0 "[ . 1 . 2]"
1 110 LYS 0.027 0.027 7 0 "[ . 1 . 2]"
1 111 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.459 0.092 10 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 1.422 0.167 19 0 "[ . 1 . 2]"
1 118 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 LEU 0.100 0.069 15 0 "[ . 1 . 2]"
1 125 ALA 0.010 0.010 9 0 "[ . 1 . 2]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 TYR 0.005 0.005 5 0 "[ . 1 . 2]"
1 128 PHE 0.100 0.069 15 0 "[ . 1 . 2]"
1 129 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 TRP 0.321 0.074 10 0 "[ . 1 . 2]"
1 131 LYS 0.112 0.112 15 0 "[ . 1 . 2]"
1 132 LYS 0.321 0.074 10 0 "[ . 1 . 2]"
1 134 ASP 0.112 0.112 15 0 "[ . 1 . 2]"
1 135 ILE 5.936 0.387 3 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 LEU 0.410 0.126 11 0 "[ . 1 . 2]"
1 139 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 ASN 0.062 0.038 7 0 "[ . 1 . 2]"
1 141 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 142 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 GLY 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 7 PHE QD 1 8 LEU MD1 5.000 . 5.500 4.180 2.116 5.515 0.015 19 0 "[ . 1 . 2]" 2
2 1 7 PHE QB 1 35 LEU MD2 4.000 . 4.500 2.343 1.808 3.292 . 0 0 "[ . 1 . 2]" 2
3 1 7 PHE QD 1 35 LEU MD2 5.000 . 5.500 2.643 2.106 3.983 . 0 0 "[ . 1 . 2]" 2
4 1 7 PHE QD 1 71 VAL MG1 5.000 . 5.500 2.867 2.398 4.644 . 0 0 "[ . 1 . 2]" 2
5 1 8 LEU MD2 1 109 PHE QB 4.000 . 4.500 2.814 2.200 3.176 . 0 0 "[ . 1 . 2]" 2
6 1 8 LEU MD1 1 110 LYS HA 4.000 . 4.500 3.145 2.719 3.848 . 0 0 "[ . 1 . 2]" 2
7 1 9 THR MG 1 12 GLU QG 5.000 . 5.500 3.456 1.862 4.434 . 0 0 "[ . 1 . 2]" 2
8 1 9 THR MG 1 13 GLU H 5.000 . 5.500 5.026 3.491 5.566 0.066 18 0 "[ . 1 . 2]" 2
9 1 9 THR HA 1 13 GLU QG 5.000 . 5.500 4.559 4.151 5.126 . 0 0 "[ . 1 . 2]" 2
10 1 10 ALA HA 1 13 GLU QB 4.000 . 4.500 2.580 2.277 2.782 . 0 0 "[ . 1 . 2]" 2
11 1 10 ALA HA 1 13 GLU QG 5.000 . 5.500 3.848 3.360 4.169 . 0 0 "[ . 1 . 2]" 2
12 1 10 ALA HA 1 14 LYS H 5.000 . 5.500 3.755 3.553 4.506 . 0 0 "[ . 1 . 2]" 2
13 1 12 GLU HA 1 15 ALA MB 4.000 . 4.500 3.052 2.780 3.381 . 0 0 "[ . 1 . 2]" 2
14 1 13 GLU QB 1 142 ILE MD 5.000 . 5.500 2.772 1.956 4.526 . 0 0 "[ . 1 . 2]" 2
15 1 13 GLU HA 1 142 ILE MD 4.000 . 4.500 3.044 2.408 4.309 . 0 0 "[ . 1 . 2]" 2
16 1 14 LYS HA 1 17 VAL MG2 5.000 . 5.500 3.060 2.510 3.365 . 0 0 "[ . 1 . 2]" 2
17 1 15 ALA MB 1 16 ILE HA 5.000 . 5.500 3.783 3.726 3.871 . 0 0 "[ . 1 . 2]" 2
18 1 15 ALA HA 1 18 ASP QB 4.000 . 4.500 2.730 2.561 2.872 . 0 0 "[ . 1 . 2]" 2
19 1 15 ALA HA 1 19 ALA H 5.000 . 5.500 4.485 4.305 4.634 . 0 0 "[ . 1 . 2]" 2
20 1 16 ILE MG 1 17 VAL HB 4.000 . 4.500 3.746 3.614 4.744 0.244 5 0 "[ . 1 . 2]" 2
21 1 16 ILE MG 1 17 VAL HA 5.000 . 5.500 3.173 3.105 3.249 . 0 0 "[ . 1 . 2]" 2
22 1 16 ILE HA 1 19 ALA MB 4.000 . 4.500 2.545 2.349 2.705 . 0 0 "[ . 1 . 2]" 2
23 1 16 ILE MG 1 20 ILE QG 4.000 . 4.500 4.209 3.341 4.511 0.011 1 0 "[ . 1 . 2]" 2
24 1 16 ILE MD 1 100 ILE QG 5.000 . 5.500 5.578 5.469 5.767 0.267 5 0 "[ . 1 . 2]" 2
25 1 16 ILE H 1 110 LYS QG 5.000 . 5.500 4.213 3.716 5.527 0.027 7 0 "[ . 1 . 2]" 2
26 1 16 ILE MD 1 110 LYS HA 3.000 . 3.500 2.816 2.147 3.097 . 0 0 "[ . 1 . 2]" 2
27 1 16 ILE MD 1 110 LYS QB 4.000 . 4.500 3.967 2.929 4.228 . 0 0 "[ . 1 . 2]" 2
28 1 16 ILE HA 1 114 VAL MG2 4.000 . 4.500 2.197 1.898 2.880 . 0 0 "[ . 1 . 2]" 2
29 1 16 ILE MD 1 114 VAL H 5.000 . 5.500 3.184 2.780 3.952 . 0 0 "[ . 1 . 2]" 2
30 1 16 ILE H 1 114 VAL MG2 5.000 . 5.500 3.964 3.704 4.826 . 0 0 "[ . 1 . 2]" 2
31 1 16 ILE QG 1 114 VAL HA 4.000 . 4.500 2.994 2.658 4.053 . 0 0 "[ . 1 . 2]" 2
32 1 16 ILE H 1 142 ILE MD 5.000 . 5.500 4.948 4.475 5.432 . 0 0 "[ . 1 . 2]" 2
33 1 17 VAL HA 1 20 ILE MD 4.000 . 4.500 2.967 1.911 4.535 0.035 11 0 "[ . 1 . 2]" 2
34 1 17 VAL MG2 1 141 THR HA 4.000 . 4.500 3.156 2.752 3.533 . 0 0 "[ . 1 . 2]" 2
35 1 17 VAL MG1 1 141 THR HA 4.000 . 4.500 3.041 2.294 3.702 . 0 0 "[ . 1 . 2]" 2
36 1 17 VAL H 1 142 ILE MD 5.000 . 5.500 3.852 3.361 4.433 . 0 0 "[ . 1 . 2]" 2
37 1 18 ASP HA 1 21 ARG QG 5.000 . 5.500 3.259 3.097 3.652 . 0 0 "[ . 1 . 2]" 2
38 1 18 ASP HA 1 21 ARG QD 5.000 . 5.500 2.311 1.933 3.735 . 0 0 "[ . 1 . 2]" 2
39 1 19 ALA HA 1 22 ASP QB 5.000 . 5.500 2.724 2.606 2.936 . 0 0 "[ . 1 . 2]" 2
40 1 20 ILE MG 1 21 ARG QG 4.000 . 4.500 3.529 3.343 3.839 . 0 0 "[ . 1 . 2]" 2
41 1 20 ILE HA 1 23 ALA MB 4.000 2.800 4.500 2.809 2.717 2.967 0.083 5 0 "[ . 1 . 2]" 2
42 1 20 ILE MD 1 33 VAL HB 5.000 . 5.500 4.213 3.375 5.115 . 0 0 "[ . 1 . 2]" 2
43 1 20 ILE QG 1 117 ILE MD 4.000 . 4.500 2.600 2.066 3.222 . 0 0 "[ . 1 . 2]" 2
44 1 20 ILE HA 1 117 ILE MG 4.000 . 4.500 2.828 2.527 3.280 . 0 0 "[ . 1 . 2]" 2
45 1 20 ILE MG 1 140 ASN QB 4.000 . 4.500 2.080 1.762 2.663 0.038 7 0 "[ . 1 . 2]" 2
46 1 20 ILE MG 1 140 ASN HA 5.000 . 5.500 2.173 1.920 2.751 . 0 0 "[ . 1 . 2]" 2
47 1 20 ILE MD 1 142 ILE QG 5.000 . 5.500 3.890 2.782 5.325 . 0 0 "[ . 1 . 2]" 2
48 1 22 ASP HA 1 25 LYS QB 5.000 . 5.500 3.074 2.878 3.280 . 0 0 "[ . 1 . 2]" 2
49 1 22 ASP HA 1 25 LYS H 5.000 . 5.500 3.665 3.543 3.746 . 0 0 "[ . 1 . 2]" 2
50 1 23 ALA MB 1 26 ASN QB 5.000 . 5.500 3.708 3.648 3.790 . 0 0 "[ . 1 . 2]" 2
51 1 23 ALA MB 1 25 LYS H 5.000 . 5.500 4.192 4.162 4.224 . 0 0 "[ . 1 . 2]" 2
52 1 23 ALA MB 1 31 ILE MD 4.000 . 4.500 2.800 2.526 3.102 . 0 0 "[ . 1 . 2]" 2
53 1 23 ALA MB 1 118 GLU HA 5.000 . 5.500 4.128 3.838 4.491 . 0 0 "[ . 1 . 2]" 2
54 1 23 ALA MB 1 121 GLY QA 4.000 . 4.500 2.902 2.685 3.263 . 0 0 "[ . 1 . 2]" 2
55 1 24 GLU QB 1 25 LYS HA 5.000 . 5.500 4.159 4.088 4.411 . 0 0 "[ . 1 . 2]" 2
56 1 24 GLU HA 1 26 ASN H 5.000 . 5.500 3.698 3.635 3.789 . 0 0 "[ . 1 . 2]" 2
57 1 24 GLU HA 1 27 THR H 5.000 . 5.500 3.428 3.338 3.496 . 0 0 "[ . 1 . 2]" 2
58 1 24 GLU HA 1 27 THR MG 5.000 . 5.500 2.971 2.656 3.188 . 0 0 "[ . 1 . 2]" 2
59 1 27 THR MG 1 124 LEU QB 5.000 . 5.500 3.059 2.751 3.345 . 0 0 "[ . 1 . 2]" 2
60 1 24 GLU QG 1 136 ASP HA 5.000 . 5.500 4.533 3.107 5.432 . 0 0 "[ . 1 . 2]" 2
61 1 25 LYS HA 1 130 TRP HD1 . . 4.500 3.456 3.247 3.661 . 0 0 "[ . 1 . 2]" 2
62 1 26 ASN QB 1 27 THR MG 5.000 . 5.500 3.017 2.754 3.338 . 0 0 "[ . 1 . 2]" 2
63 1 26 ASN H 1 27 THR MG 5.000 . 5.500 3.276 3.070 3.490 . 0 0 "[ . 1 . 2]" 2
64 1 26 ASN QB 1 121 GLY QA 5.000 . 5.500 3.818 3.567 4.071 . 0 0 "[ . 1 . 2]" 2
65 1 26 ASN QB 1 125 ALA MB 5.000 . 5.500 3.107 2.895 3.807 . 0 0 "[ . 1 . 2]" 2
66 1 26 ASN QB 1 125 ALA HA 5.000 . 5.500 4.900 4.658 5.510 0.010 9 0 "[ . 1 . 2]" 2
67 1 27 THR MG 1 29 GLY QA 5.000 . 5.500 3.403 3.031 3.661 . 0 0 "[ . 1 . 2]" 2
68 1 27 THR HA 1 29 GLY H 5.000 . 5.500 3.925 3.839 3.989 . 0 0 "[ . 1 . 2]" 2
69 1 27 THR HG1 1 61 LEU MD1 5.000 . 5.500 5.605 5.506 5.664 0.164 12 0 "[ . 1 . 2]" 2
70 1 27 THR MG 1 121 GLY QA 5.000 . 5.500 2.807 2.619 2.949 . 0 0 "[ . 1 . 2]" 2
71 1 27 THR HA 1 125 ALA MB 5.000 . 5.500 4.168 3.945 4.393 . 0 0 "[ . 1 . 2]" 2
72 1 27 THR HA 1 125 ALA HA 5.000 . 5.500 3.671 3.518 3.819 . 0 0 "[ . 1 . 2]" 2
73 1 27 THR HA 1 128 PHE QB 4.000 . 4.500 3.822 3.633 4.074 . 0 0 "[ . 1 . 2]" 2
74 1 27 THR HA 1 129 PRO HA 5.000 . 5.500 4.418 4.157 4.712 . 0 0 "[ . 1 . 2]" 2
75 1 27 THR HA 1 130 TRP QB 5.000 . 5.500 3.360 3.157 3.514 . 0 0 "[ . 1 . 2]" 2
76 1 27 THR HG1 1 130 TRP HA 5.000 . 5.500 5.201 5.052 5.397 . 0 0 "[ . 1 . 2]" 2
77 1 27 THR HA 1 130 TRP HA 5.000 . 5.500 3.117 3.003 3.274 . 0 0 "[ . 1 . 2]" 2
78 1 28 SER QB 1 61 LEU MD1 5.000 . 5.500 2.711 2.408 3.057 . 0 0 "[ . 1 . 2]" 2
79 1 28 SER QB 1 135 ILE MD 5.000 . 5.500 2.989 2.609 3.972 . 0 0 "[ . 1 . 2]" 2
80 1 28 SER H 1 135 ILE MD 5.000 . 5.500 5.797 5.619 5.887 0.387 3 0 "[ . 1 . 2]" 2
81 1 28 SER HA 1 136 ASP HA 5.000 . 5.500 5.084 4.762 5.482 . 0 0 "[ . 1 . 2]" 2
82 1 29 GLY QA 1 63 ASN QB 5.000 . 5.500 2.327 2.114 2.580 . 0 0 "[ . 1 . 2]" 2
83 1 29 GLY QA 1 124 LEU MD2 5.000 . 5.500 4.092 3.773 4.494 . 0 0 "[ . 1 . 2]" 2
84 1 30 GLU HA 1 31 ILE MD 5.000 . 5.500 4.624 4.469 4.775 . 0 0 "[ . 1 . 2]" 2
85 1 30 GLU QG 1 59 THR MG 5.000 . 5.500 3.464 2.461 4.723 . 0 0 "[ . 1 . 2]" 2
86 1 30 GLU QB 1 65 VAL HB 5.000 . 5.500 5.356 5.012 5.530 0.030 15 0 "[ . 1 . 2]" 2
87 1 30 GLU QG 1 138 LEU MD2 5.000 . 5.500 3.413 1.848 5.302 . 0 0 "[ . 1 . 2]" 2
88 1 30 GLU QG 1 138 LEU HA 5.000 . 5.500 4.610 4.194 5.562 0.062 6 0 "[ . 1 . 2]" 2
89 1 31 ILE MG 1 32 ARG HA 5.000 . 5.500 3.593 3.471 3.696 . 0 0 "[ . 1 . 2]" 2
90 1 31 ILE MD 1 65 VAL HB 5.000 . 5.500 4.264 4.094 4.410 . 0 0 "[ . 1 . 2]" 2
91 1 31 ILE HA 1 65 VAL MG1 5.000 . 5.500 3.445 3.157 3.638 . 0 0 "[ . 1 . 2]" 2
92 1 31 ILE MG 1 117 ILE HA 5.000 . 5.500 3.259 3.038 3.551 . 0 0 "[ . 1 . 2]" 2
93 1 31 ILE HB 1 117 ILE HA 5.000 . 5.500 5.308 4.830 5.576 0.076 4 0 "[ . 1 . 2]" 2
94 1 31 ILE HA 1 117 ILE MG 5.000 . 5.500 5.553 5.380 5.667 0.167 19 0 "[ . 1 . 2]" 2
95 1 31 ILE MD 1 120 ALA MB 4.000 . 4.500 2.229 1.978 2.589 . 0 0 "[ . 1 . 2]" 2
96 1 31 ILE MD 1 120 ALA HA 5.000 . 5.500 4.476 4.202 4.819 . 0 0 "[ . 1 . 2]" 2
97 1 31 ILE MD 1 121 GLY QA 5.000 . 5.500 2.988 2.728 3.218 . 0 0 "[ . 1 . 2]" 2
98 1 32 ARG QG 1 66 LEU HA 5.000 . 5.500 4.285 3.676 5.028 . 0 0 "[ . 1 . 2]" 2
99 1 32 ARG QB 1 66 LEU HA 4.000 . 4.500 2.853 2.692 3.076 . 0 0 "[ . 1 . 2]" 2
100 1 32 ARG H 1 66 LEU HA 5.000 . 5.500 3.239 3.049 3.492 . 0 0 "[ . 1 . 2]" 2
101 1 32 ARG QD 1 138 LEU MD2 5.000 . 5.500 2.832 1.838 5.303 . 0 0 "[ . 1 . 2]" 2
102 1 33 VAL H 1 67 ILE MD 5.000 . 5.500 4.774 4.551 5.099 . 0 0 "[ . 1 . 2]" 2
103 1 33 VAL MG2 1 67 ILE H 5.000 . 5.500 3.646 3.068 4.831 . 0 0 "[ . 1 . 2]" 2
104 1 34 HIS QB 1 50 VAL MG1 4.000 . 4.500 3.481 3.182 3.717 . 0 0 "[ . 1 . 2]" 2
105 1 34 HIS HD2 1 50 VAL MG1 4.000 . 4.500 3.834 3.289 4.324 . 0 0 "[ . 1 . 2]" 2
106 1 34 HIS QB 1 66 LEU MD1 4.000 . 4.500 2.112 1.844 2.457 . 0 0 "[ . 1 . 2]" 2
107 1 34 HIS HA 1 66 LEU MD1 5.000 . 5.500 3.911 3.622 4.302 . 0 0 "[ . 1 . 2]" 2
108 1 34 HIS QB 1 68 TYR QD 5.000 . 5.500 3.057 2.691 3.276 . 0 0 "[ . 1 . 2]" 2
109 1 34 HIS HA 1 143 SER QB 5.000 . 5.500 2.407 2.011 2.760 . 0 0 "[ . 1 . 2]" 2
110 1 34 HIS HA 1 144 LYS HA 5.000 . 5.500 3.853 3.581 4.224 . 0 0 "[ . 1 . 2]" 2
111 1 34 HIS HE1 1 145 GLY QA 4.000 . 4.500 2.757 1.931 4.331 . 0 0 "[ . 1 . 2]" 2
112 1 35 LEU HG 1 36 GLU HA 5.000 . 5.500 3.734 3.509 4.458 . 0 0 "[ . 1 . 2]" 2
113 1 35 LEU MD1 1 69 VAL HB 3.000 . 3.500 2.127 1.872 3.494 . 0 0 "[ . 1 . 2]" 2
114 1 35 LEU HA 1 69 VAL HB 5.000 . 5.500 2.802 2.345 3.192 . 0 0 "[ . 1 . 2]" 2
115 1 35 LEU MD1 1 71 VAL H 5.000 . 5.500 3.168 2.646 4.633 . 0 0 "[ . 1 . 2]" 2
116 1 35 LEU HA 1 71 VAL MG1 4.000 . 4.500 4.105 3.832 4.615 0.115 6 0 "[ . 1 . 2]" 2
117 1 35 LEU MD2 1 71 VAL MG1 4.000 . 4.500 2.536 2.134 3.279 . 0 0 "[ . 1 . 2]" 2
118 1 35 LEU H 1 142 ILE MG 5.000 . 5.500 3.775 3.136 4.083 . 0 0 "[ . 1 . 2]" 2
119 1 35 LEU HA 1 144 LYS HA 5.000 . 5.500 4.893 4.280 5.131 . 0 0 "[ . 1 . 2]" 2
120 1 35 LEU QB 1 144 LYS HA 5.000 . 5.500 3.112 2.692 3.496 . 0 0 "[ . 1 . 2]" 2
121 1 36 GLU H 1 70 ALA HA 5.000 . 5.500 3.606 3.436 3.808 . 0 0 "[ . 1 . 2]" 2
122 1 36 GLU QG 1 145 GLY QA 4.000 . 4.500 2.962 2.201 4.110 . 0 0 "[ . 1 . 2]" 2
123 1 36 GLU HA 1 145 GLY QA 5.000 . 5.500 3.789 3.119 4.505 . 0 0 "[ . 1 . 2]" 2
124 1 37 LYS QB 1 38 THR MG 5.000 . 5.500 2.973 2.460 4.665 . 0 0 "[ . 1 . 2]" 2
125 1 37 LYS HA 1 71 VAL MG2 5.000 . 5.500 1.980 1.798 4.283 0.002 4 0 "[ . 1 . 2]" 2
126 1 37 LYS QB 1 71 VAL MG2 5.000 . 5.500 3.448 3.106 5.245 . 0 0 "[ . 1 . 2]" 2
127 1 37 LYS HA 1 72 GLU QG 4.000 . 4.500 3.005 1.926 4.719 0.219 5 0 "[ . 1 . 2]" 2
128 1 38 THR HA 1 70 ALA MB 4.000 . 4.500 3.110 2.867 3.427 . 0 0 "[ . 1 . 2]" 2
129 1 38 THR MG 1 72 GLU QG 5.000 . 5.500 2.634 1.875 3.950 . 0 0 "[ . 1 . 2]" 2
130 1 39 SER HA 1 40 GLU HA 5.000 . 5.500 4.475 4.446 4.499 . 0 0 "[ . 1 . 2]" 2
131 1 39 SER QB 1 41 ILE MD 4.000 . 4.500 4.423 4.246 4.642 0.142 4 0 "[ . 1 . 2]" 2
132 1 41 ILE MD 1 45 ASP QB 4.000 . 4.500 3.010 2.767 3.581 . 0 0 "[ . 1 . 2]" 2
133 1 41 ILE MD 1 46 ARG HA 5.000 . 5.500 3.015 2.630 4.038 . 0 0 "[ . 1 . 2]" 2
134 1 42 ASP HA 1 43 VAL MG2 4.000 . 4.500 3.586 3.421 3.828 . 0 0 "[ . 1 . 2]" 2
135 1 43 VAL MG1 1 44 PHE HA 5.000 . 5.500 3.477 3.319 3.652 . 0 0 "[ . 1 . 2]" 2
136 1 43 VAL HA 1 46 ARG QB 4.000 . 4.500 2.113 1.930 2.261 . 0 0 "[ . 1 . 2]" 2
137 1 43 VAL QG 1 47 ALA HA 5.000 . 5.500 4.754 4.664 4.871 . 0 0 "[ . 1 . 2]" 2
138 1 43 VAL MG1 1 68 TYR QE 4.000 . 4.500 2.746 2.132 3.245 . 0 0 "[ . 1 . 2]" 2
139 1 43 VAL MG1 1 68 TYR QD . . 3.500 2.439 1.990 2.787 . 0 0 "[ . 1 . 2]" 2
140 1 43 VAL MG1 1 77 VAL MG2 4.000 . 4.500 1.831 1.726 2.049 0.074 8 0 "[ . 1 . 2]" 2
141 1 43 VAL HB 1 77 VAL MG2 4.000 . 4.500 3.100 2.702 3.545 . 0 0 "[ . 1 . 2]" 2
142 1 44 PHE HA 1 47 ALA MB 5.000 . 5.500 2.926 2.703 3.131 . 0 0 "[ . 1 . 2]" 2
143 1 44 PHE QD 1 77 VAL MG1 . . 4.500 3.191 2.812 3.813 . 0 0 "[ . 1 . 2]" 2
144 1 44 PHE HA 1 77 VAL MG1 3.000 . 3.500 2.965 2.594 3.402 . 0 0 "[ . 1 . 2]" 2
145 1 44 PHE QB 1 77 VAL MG2 5.000 . 5.500 4.288 3.841 5.036 . 0 0 "[ . 1 . 2]" 2
146 1 44 PHE HA 1 77 VAL QG 4.000 . 4.500 2.904 2.565 3.300 . 0 0 "[ . 1 . 2]" 2
147 1 47 ALA HA 1 50 VAL MG1 5.000 . 5.500 3.781 3.627 4.033 . 0 0 "[ . 1 . 2]" 2
148 1 47 ALA HA 1 50 VAL HB 5.000 . 5.500 2.488 2.356 2.746 . 0 0 "[ . 1 . 2]" 2
149 1 47 ALA HA 1 51 PHE H 5.000 . 5.500 3.672 3.548 3.843 . 0 0 "[ . 1 . 2]" 2
150 1 47 ALA MB 1 68 TYR H 5.000 . 5.500 4.223 3.951 4.421 . 0 0 "[ . 1 . 2]" 2
151 1 47 ALA HA 1 68 TYR QB 5.000 . 5.500 3.762 3.363 4.075 . 0 0 "[ . 1 . 2]" 2
152 1 47 ALA HA 1 68 TYR QD . . 3.500 3.357 2.994 3.561 0.061 9 0 "[ . 1 . 2]" 2
153 1 48 MET HA 1 51 PHE QB 4.000 . 4.500 2.560 2.435 2.765 . 0 0 "[ . 1 . 2]" 2
154 1 48 MET HA 1 51 PHE H 5.000 . 5.500 3.538 3.358 3.699 . 0 0 "[ . 1 . 2]" 2
155 1 48 MET HA 1 79 TYR QE 5.000 . 5.500 3.202 2.678 3.896 . 0 0 "[ . 1 . 2]" 2
156 1 48 MET HA 1 79 TYR QB 5.000 . 5.500 4.751 4.362 5.169 . 0 0 "[ . 1 . 2]" 2
157 1 49 ASP HA 1 52 HIS QB 5.000 . 5.500 3.010 2.904 3.143 . 0 0 "[ . 1 . 2]" 2
158 1 49 ASP HA 1 53 ASN H 5.000 . 5.500 3.809 3.700 3.923 . 0 0 "[ . 1 . 2]" 2
159 1 50 VAL HA 1 53 ASN QB 5.000 . 5.500 2.042 1.952 2.213 . 0 0 "[ . 1 . 2]" 2
160 1 50 VAL HA 1 53 ASN H 5.000 . 5.500 3.355 3.263 3.469 . 0 0 "[ . 1 . 2]" 2
161 1 50 VAL MG1 1 54 LEU MD1 5.000 . 5.500 1.884 1.765 2.058 0.035 20 0 "[ . 1 . 2]" 2
162 1 50 VAL MG1 1 66 LEU MD2 4.000 . 4.500 2.480 2.162 2.879 . 0 0 "[ . 1 . 2]" 2
163 1 50 VAL MG1 1 68 TYR QD . . 3.500 3.491 3.406 3.629 0.129 1 0 "[ . 1 . 2]" 2
164 1 51 PHE HA 1 54 LEU MD1 4.000 . 4.500 3.272 2.965 3.722 . 0 0 "[ . 1 . 2]" 2
165 1 51 PHE QE 1 57 ASP HA 5.000 . 5.500 3.162 2.177 4.216 . 0 0 "[ . 1 . 2]" 2
166 1 51 PHE QE 1 57 ASP QB . . 4.500 3.196 2.130 4.486 . 0 0 "[ . 1 . 2]" 2
167 1 51 PHE HA 1 66 LEU MD2 4.000 . 4.500 2.209 2.048 2.488 . 0 0 "[ . 1 . 2]" 2
168 1 51 PHE QB 1 66 LEU MD2 4.000 . 4.500 2.067 1.852 2.379 . 0 0 "[ . 1 . 2]" 2
169 1 51 PHE QE 1 81 ASP HA 4.000 . 4.500 3.591 2.352 4.561 0.061 7 0 "[ . 1 . 2]" 2
170 1 54 LEU HA 1 56 MET QG 5.000 . 5.500 4.415 4.233 4.555 . 0 0 "[ . 1 . 2]" 2
171 1 54 LEU QB 1 56 MET QG 5.000 . 5.500 2.119 1.931 2.229 . 0 0 "[ . 1 . 2]" 2
172 1 54 LEU MD1 1 143 SER QB 5.000 . 5.500 3.205 2.896 3.658 . 0 0 "[ . 1 . 2]" 2
173 1 56 MET QG 1 138 LEU MD2 5.000 . 5.500 3.313 2.091 5.494 . 0 0 "[ . 1 . 2]" 2
174 1 56 MET HA 1 138 LEU MD1 4.000 . 4.500 3.513 2.661 4.532 0.032 19 0 "[ . 1 . 2]" 2
175 1 56 MET QG 1 138 LEU HG 5.000 . 5.500 4.956 3.936 5.626 0.126 11 0 "[ . 1 . 2]" 2
176 1 58 ASN QB 1 59 THR HA 5.000 . 5.500 4.553 3.831 4.726 . 0 0 "[ . 1 . 2]" 2
177 1 59 THR HA 1 60 LYS QB 5.000 . 5.500 4.239 4.013 4.560 . 0 0 "[ . 1 . 2]" 2
178 1 59 THR MG 1 62 GLN HA 5.000 . 5.500 3.698 1.824 4.046 . 0 0 "[ . 1 . 2]" 2
179 1 61 LEU HA 1 63 ASN QD 5.000 . 5.500 4.286 3.473 4.929 . 0 0 "[ . 1 . 2]" 2
180 1 61 LEU MD1 1 128 PHE QD 5.000 . 5.500 3.414 2.790 3.759 . 0 0 "[ . 1 . 2]" 2
181 1 63 ASN HA 1 84 ILE MD 3.000 . 3.500 2.289 1.944 2.859 . 0 0 "[ . 1 . 2]" 2
182 1 63 ASN HA 1 84 ILE QG 4.000 . 4.500 1.923 1.887 2.005 . 0 0 "[ . 1 . 2]" 2
183 1 64 GLY QA 1 65 VAL HB 5.000 . 5.500 4.188 4.154 4.224 . 0 0 "[ . 1 . 2]" 2
184 1 64 GLY QA 1 84 ILE MD 4.000 . 4.500 3.236 2.845 3.643 . 0 0 "[ . 1 . 2]" 2
185 1 65 VAL HA 1 66 LEU HA 5.000 . 5.500 4.462 4.444 4.483 . 0 0 "[ . 1 . 2]" 2
186 1 65 VAL MG2 1 80 GLY HA3 4.000 . 4.500 2.507 2.396 2.698 . 0 0 "[ . 1 . 2]" 2
187 1 65 VAL MG2 1 80 GLY HA2 4.000 . 4.500 2.464 2.032 2.931 . 0 0 "[ . 1 . 2]" 2
188 1 65 VAL MG2 1 93 TRP HZ2 . . 3.500 3.426 3.282 3.571 0.071 12 0 "[ . 1 . 2]" 2
189 1 65 VAL MG1 1 93 TRP HH2 . . 3.500 3.323 3.013 3.557 0.057 15 0 "[ . 1 . 2]" 2
190 1 66 LEU MD1 1 68 TYR HA 5.000 . 5.500 4.542 4.113 4.887 . 0 0 "[ . 1 . 2]" 2
191 1 67 ILE HA 1 68 TYR HA 5.000 . 5.500 4.515 4.483 4.530 . 0 0 "[ . 1 . 2]" 2
192 1 67 ILE MG 1 76 PHE QD 5.000 . 5.500 4.049 3.789 4.263 . 0 0 "[ . 1 . 2]" 2
193 1 67 ILE MG 1 76 PHE QB 5.000 . 5.500 3.242 3.088 3.462 . 0 0 "[ . 1 . 2]" 2
194 1 67 ILE HA 1 79 TYR H 5.000 . 5.500 3.506 3.290 3.722 . 0 0 "[ . 1 . 2]" 2
195 1 67 ILE MD 1 117 ILE HA 5.000 . 5.500 4.173 3.765 4.603 . 0 0 "[ . 1 . 2]" 2
196 1 68 TYR QE 1 70 ALA MB . . 4.500 2.909 2.542 3.199 . 0 0 "[ . 1 . 2]" 2
197 1 68 TYR H 1 77 VAL MG1 5.000 . 5.500 3.899 3.582 4.264 . 0 0 "[ . 1 . 2]" 2
198 1 68 TYR QD 1 77 VAL MG2 5.000 . 5.500 3.329 2.873 3.844 . 0 0 "[ . 1 . 2]" 2
199 1 69 VAL MG1 1 70 ALA H 5.000 . 5.500 2.585 2.434 2.798 . 0 0 "[ . 1 . 2]" 2
200 1 69 VAL MG2 1 70 ALA H 5.000 . 5.500 3.921 3.815 3.998 . 0 0 "[ . 1 . 2]" 2
201 1 69 VAL MG1 1 71 VAL HA 4.000 . 4.500 3.389 3.161 3.689 . 0 0 "[ . 1 . 2]" 2
202 1 69 VAL MG2 1 76 PHE QB 5.000 . 5.500 2.281 2.088 2.553 . 0 0 "[ . 1 . 2]" 2
203 1 69 VAL MG1 1 76 PHE QB 4.000 . 4.500 3.131 2.928 3.395 . 0 0 "[ . 1 . 2]" 2
204 1 69 VAL HA 1 76 PHE HA 3.000 . 3.500 2.047 1.932 2.169 . 0 0 "[ . 1 . 2]" 2
205 1 69 VAL MG1 1 76 PHE HA 5.000 . 5.500 3.440 3.292 3.647 . 0 0 "[ . 1 . 2]" 2
206 1 69 VAL MG2 1 76 PHE HA 5.000 . 5.500 2.551 2.089 2.931 . 0 0 "[ . 1 . 2]" 2
207 1 69 VAL MG2 1 104 PHE HZ . . 4.500 2.476 2.110 2.766 . 0 0 "[ . 1 . 2]" 2
208 1 69 VAL MG1 1 104 PHE QE . . 4.500 2.153 1.886 2.469 . 0 0 "[ . 1 . 2]" 2
209 1 70 ALA HA 1 71 VAL QG 5.000 . 5.500 3.368 3.289 3.562 . 0 0 "[ . 1 . 2]" 2
210 1 71 VAL MG1 1 72 GLU HA 5.000 . 5.500 5.406 3.403 5.532 0.032 2 0 "[ . 1 . 2]" 2
211 1 71 VAL HA 1 73 ASP H 5.000 . 5.500 4.414 4.275 4.586 . 0 0 "[ . 1 . 2]" 2
212 1 71 VAL HA 1 74 LYS HA 5.000 . 5.500 2.968 2.815 3.113 . 0 0 "[ . 1 . 2]" 2
213 1 72 GLU QB 1 73 ASP HA 5.000 . 5.500 4.164 4.046 4.349 . 0 0 "[ . 1 . 2]" 2
214 1 73 ASP QB 1 75 THR MG 5.000 . 5.500 2.677 1.845 4.147 . 0 0 "[ . 1 . 2]" 2
215 1 74 LYS HA 1 104 PHE QD 5.000 . 5.500 3.832 3.548 4.028 . 0 0 "[ . 1 . 2]" 2
216 1 74 LYS QG 1 105 LYS HA 5.000 . 5.500 5.279 4.881 5.537 0.037 7 0 "[ . 1 . 2]" 2
217 1 74 LYS HA 1 109 PHE QE 5.000 . 5.500 4.052 3.499 4.764 . 0 0 "[ . 1 . 2]" 2
218 1 76 PHE QE 1 78 ILE MD . . 4.500 3.090 2.676 3.433 . 0 0 "[ . 1 . 2]" 2
219 1 76 PHE QD 1 100 ILE MG 5.000 . 5.500 2.859 2.628 3.037 . 0 0 "[ . 1 . 2]" 2
220 1 76 PHE QE 1 100 ILE MG 5.000 . 5.500 3.481 3.214 3.900 . 0 0 "[ . 1 . 2]" 2
221 1 76 PHE QD 1 100 ILE MD . . 3.500 3.390 2.897 3.562 0.062 6 0 "[ . 1 . 2]" 2
222 1 76 PHE QE 1 100 ILE MD 5.000 . 5.500 3.983 3.531 4.324 . 0 0 "[ . 1 . 2]" 2
223 1 76 PHE HA 1 104 PHE HZ 5.000 . 5.500 5.397 5.103 5.573 0.073 7 0 "[ . 1 . 2]" 2
224 1 77 VAL MG1 1 79 TYR QB 5.000 . 5.500 3.122 2.995 3.257 . 0 0 "[ . 1 . 2]" 2
225 1 78 ILE MG 1 79 TYR HA 5.000 . 5.500 3.749 3.594 3.901 . 0 0 "[ . 1 . 2]" 2
226 1 78 ILE MG 1 80 GLY H 5.000 . 5.500 3.956 3.812 4.112 . 0 0 "[ . 1 . 2]" 2
227 1 78 ILE MG 1 93 TRP HH2 5.000 . 5.500 2.384 2.216 2.518 . 0 0 "[ . 1 . 2]" 2
228 1 78 ILE MG 1 93 TRP HE3 5.000 . 5.500 3.205 3.110 3.375 . 0 0 "[ . 1 . 2]" 2
229 1 78 ILE MG 1 93 TRP HZ2 . . 4.500 4.108 3.953 4.303 . 0 0 "[ . 1 . 2]" 2
230 1 78 ILE MD 1 93 TRP QB 5.000 . 5.500 4.765 4.598 4.977 . 0 0 "[ . 1 . 2]" 2
231 1 78 ILE MD 1 93 TRP HE3 . . 4.500 3.459 3.260 3.617 . 0 0 "[ . 1 . 2]" 2
232 1 78 ILE MD 1 93 TRP HZ3 5.000 . 5.500 3.473 3.347 3.614 . 0 0 "[ . 1 . 2]" 2
233 1 78 ILE MD 1 96 THR HB 4.000 . 4.500 2.920 2.744 3.064 . 0 0 "[ . 1 . 2]" 2
234 1 78 ILE MD 1 96 THR MG 4.000 . 4.500 1.804 1.728 1.973 0.072 7 0 "[ . 1 . 2]" 2
235 1 78 ILE MD 1 97 ARG HA 4.000 . 4.500 2.766 2.474 2.979 . 0 0 "[ . 1 . 2]" 2
236 1 78 ILE MD 1 97 ARG QB 5.000 . 5.500 3.873 3.616 4.116 . 0 0 "[ . 1 . 2]" 2
237 1 78 ILE QG 1 100 ILE MD 4.000 . 4.500 2.996 2.778 3.160 . 0 0 "[ . 1 . 2]" 2
238 1 78 ILE MD 1 100 ILE MD 5.000 . 5.500 2.066 1.856 2.392 . 0 0 "[ . 1 . 2]" 2
239 1 79 TYR HA 1 80 GLY QA 5.000 . 5.500 3.987 3.960 4.012 . 0 0 "[ . 1 . 2]" 2
240 1 79 TYR QE 1 81 ASP HA 5.000 . 5.500 4.330 3.937 4.804 . 0 0 "[ . 1 . 2]" 2
241 1 31 ILE MD 1 117 ILE HA 4.000 . 4.500 3.055 2.625 3.376 . 0 0 "[ . 1 . 2]" 2
242 1 81 ASP HA 1 82 LYS HA 5.000 . 5.500 4.393 4.377 4.407 . 0 0 "[ . 1 . 2]" 2
243 1 82 LYS HA 1 85 ASN QB 4.000 . 4.500 2.287 2.174 2.400 . 0 0 "[ . 1 . 2]" 2
244 1 84 ILE MG 1 85 ASN HA 5.000 . 5.500 3.361 3.232 3.698 . 0 0 "[ . 1 . 2]" 2
245 1 84 ILE HA 1 87 VAL MG2 4.000 . 4.500 3.580 2.029 4.590 0.090 11 0 "[ . 1 . 2]" 2
246 1 84 ILE MG 1 88 VAL MG1 4.000 2.800 4.500 2.735 2.558 2.871 0.242 5 0 "[ . 1 . 2]" 2
247 1 84 ILE MD 1 93 TRP HZ2 . . 3.500 3.590 3.465 3.692 0.192 10 0 "[ . 1 . 2]" 2
248 1 84 ILE MG 1 93 TRP HZ2 . . 3.500 2.484 2.052 2.749 . 0 0 "[ . 1 . 2]" 2
249 1 84 ILE HA 1 124 LEU MD2 4.000 . 4.500 4.093 3.887 4.367 . 0 0 "[ . 1 . 2]" 2
250 1 85 ASN HA 1 88 VAL MG2 4.000 . 4.500 2.647 2.423 2.840 . 0 0 "[ . 1 . 2]" 2
251 1 86 ASP QB 1 87 VAL MG1 5.000 . 5.500 3.498 2.577 4.093 . 0 0 "[ . 1 . 2]" 2
252 1 86 ASP QB 1 87 VAL HA 5.000 . 5.500 4.106 3.988 4.378 . 0 0 "[ . 1 . 2]" 2
253 1 87 VAL H 1 88 VAL MG1 5.000 . 5.500 3.769 3.548 4.001 . 0 0 "[ . 1 . 2]" 2
254 1 87 VAL MG2 1 88 VAL MG1 5.000 . 5.500 2.437 1.760 2.958 0.040 17 0 "[ . 1 . 2]" 2
255 1 87 VAL MG2 1 88 VAL HA 4.000 . 4.500 3.900 3.711 4.133 . 0 0 "[ . 1 . 2]" 2
256 1 87 VAL MG2 1 127 TYR QB 5.000 . 5.500 2.698 2.137 3.428 . 0 0 "[ . 1 . 2]" 2
257 1 88 VAL MG1 1 92 PHE QE 5.000 . 5.500 2.800 2.556 3.034 . 0 0 "[ . 1 . 2]" 2
258 1 88 VAL MG1 1 92 PHE QD 5.000 . 5.500 3.090 2.770 3.332 . 0 0 "[ . 1 . 2]" 2
259 1 88 VAL MG1 1 92 PHE QB 5.000 . 5.500 3.655 3.489 3.821 . 0 0 "[ . 1 . 2]" 2
260 1 88 VAL MG1 1 127 TYR QB 5.000 . 5.500 3.290 3.091 3.581 . 0 0 "[ . 1 . 2]" 2
261 1 89 SER HA 1 90 ASP QB 5.000 . 5.500 4.461 4.256 4.578 . 0 0 "[ . 1 . 2]" 2
262 1 92 PHE HZ 1 123 ALA MB . . 4.500 2.216 1.944 2.565 . 0 0 "[ . 1 . 2]" 2
263 1 92 PHE QE 1 124 LEU MD2 5.000 . 5.500 2.304 1.979 2.833 . 0 0 "[ . 1 . 2]" 2
264 1 92 PHE HZ 1 124 LEU MD2 4.000 . 4.500 2.390 1.923 2.753 . 0 0 "[ . 1 . 2]" 2
265 1 92 PHE QE 1 124 LEU HA 5.000 . 5.500 3.530 3.331 3.773 . 0 0 "[ . 1 . 2]" 2
266 1 92 PHE HZ 1 124 LEU HA . . 4.500 2.411 2.082 2.634 . 0 0 "[ . 1 . 2]" 2
267 1 93 TRP HE3 1 96 THR MG . . 4.500 4.011 3.708 4.252 . 0 0 "[ . 1 . 2]" 2
268 1 93 TRP HZ3 1 96 THR MG 5.000 . 5.500 4.386 4.042 4.630 . 0 0 "[ . 1 . 2]" 2
269 1 94 ASP HA 1 97 ARG QD 4.000 . 4.500 2.960 2.759 3.196 . 0 0 "[ . 1 . 2]" 2
270 1 94 ASP HA 1 98 ASN QD 5.000 . 5.500 4.747 4.386 5.571 0.071 7 0 "[ . 1 . 2]" 2
271 1 95 THR HA 1 98 ASN QB 5.000 . 5.500 2.671 2.580 2.820 . 0 0 "[ . 1 . 2]" 2
272 1 96 THR MG 1 100 ILE MD 5.000 . 5.500 2.385 2.156 2.578 . 0 0 "[ . 1 . 2]" 2
273 1 97 ARG HA 1 100 ILE HB 5.000 . 5.500 2.906 2.725 3.041 . 0 0 "[ . 1 . 2]" 2
274 1 97 ARG HA 1 100 ILE MD 5.000 . 5.500 3.242 2.916 3.467 . 0 0 "[ . 1 . 2]" 2
275 1 99 ALA HA 1 102 LEU H 5.000 . 5.500 3.854 3.687 4.004 . 0 0 "[ . 1 . 2]" 2
276 1 99 ALA HA 1 102 LEU QB 5.000 . 5.500 2.992 2.820 3.164 . 0 0 "[ . 1 . 2]" 2
277 1 99 ALA MB 1 115 ASP QB 4.000 . 4.500 2.868 2.543 3.277 . 0 0 "[ . 1 . 2]" 2
278 1 99 ALA MB 1 116 GLY QA 4.000 . 4.500 2.335 2.118 2.546 . 0 0 "[ . 1 . 2]" 2
279 1 99 ALA MB 1 119 LYS QE 4.000 . 4.500 3.075 2.008 4.027 . 0 0 "[ . 1 . 2]" 2
280 1 100 ILE MG 1 101 GLN HA 5.000 . 5.500 3.448 3.348 3.573 . 0 0 "[ . 1 . 2]" 2
281 1 100 ILE HA 1 103 GLN QG 5.000 . 5.500 4.497 3.715 5.273 . 0 0 "[ . 1 . 2]" 2
282 1 100 ILE HA 1 103 GLN H 5.000 . 5.500 3.772 3.716 3.868 . 0 0 "[ . 1 . 2]" 2
283 1 100 ILE MG 1 104 PHE QB 5.000 . 5.500 3.314 3.149 3.427 . 0 0 "[ . 1 . 2]" 2
284 1 100 ILE MG 1 112 GLY QA 5.000 . 5.500 3.454 3.233 3.615 . 0 0 "[ . 1 . 2]" 2
285 1 100 ILE HA 1 112 GLY QA 4.000 . 4.500 2.461 2.117 2.601 . 0 0 "[ . 1 . 2]" 2
286 1 100 ILE HA 1 112 GLY H 5.000 . 5.500 4.952 4.525 5.157 . 0 0 "[ . 1 . 2]" 2
287 1 100 ILE QG 1 113 LEU HA 5.000 . 5.500 2.637 2.267 2.945 . 0 0 "[ . 1 . 2]" 2
288 1 100 ILE MG 1 113 LEU MD2 5.000 . 5.500 2.721 2.290 3.104 . 0 0 "[ . 1 . 2]" 2
289 1 100 ILE MD 1 116 GLY HA3 5.000 . 5.500 2.856 2.519 3.180 . 0 0 "[ . 1 . 2]" 2
290 1 100 ILE MD 1 116 GLY HA2 5.000 . 5.500 3.996 3.646 4.445 . 0 0 "[ . 1 . 2]" 2
291 1 100 ILE QG 1 116 GLY QA 5.000 . 5.500 2.227 2.011 2.570 . 0 0 "[ . 1 . 2]" 2
292 1 102 LEU HA 1 105 LYS H 5.000 . 5.500 3.665 3.535 3.766 . 0 0 "[ . 1 . 2]" 2
293 1 102 LEU MD1 1 106 GLN QE 5.000 . 5.500 4.185 2.409 5.576 0.076 18 0 "[ . 1 . 2]" 2
294 1 103 GLN HA 1 106 GLN H 5.000 . 5.500 3.224 3.157 3.344 . 0 0 "[ . 1 . 2]" 2
295 1 103 GLN HA 1 106 GLN QB 4.000 . 4.500 2.684 2.526 2.905 . 0 0 "[ . 1 . 2]" 2
296 1 103 GLN QB 1 112 GLY QA 4.000 . 4.500 1.791 1.708 1.832 0.092 10 0 "[ . 1 . 2]" 2
297 1 103 GLN QG 1 112 GLY QA 4.000 . 4.500 2.252 1.878 2.687 . 0 0 "[ . 1 . 2]" 2
298 1 103 GLN HA 1 112 GLY QA 5.000 . 5.500 4.332 4.202 4.430 . 0 0 "[ . 1 . 2]" 2
299 1 104 PHE QD 1 109 PHE HA 4.000 . 4.500 3.458 2.985 3.749 . 0 0 "[ . 1 . 2]" 2
300 1 104 PHE HZ 1 109 PHE HA 5.000 . 5.500 3.831 3.578 4.176 . 0 0 "[ . 1 . 2]" 2
301 1 104 PHE HZ 1 109 PHE QB 5.000 . 5.500 3.542 3.118 4.221 . 0 0 "[ . 1 . 2]" 2
302 1 104 PHE QD 1 112 GLY QA . . 3.500 2.632 2.400 2.911 . 0 0 "[ . 1 . 2]" 2
303 1 104 PHE QE 1 112 GLY QA . . 3.500 3.302 2.942 3.575 0.075 5 0 "[ . 1 . 2]" 2
304 1 104 PHE HZ 1 113 LEU MD2 4.000 . 4.500 2.983 2.499 3.742 . 0 0 "[ . 1 . 2]" 2
305 1 105 LYS HA 1 107 GLY H 5.000 . 5.500 4.039 3.956 4.120 . 0 0 "[ . 1 . 2]" 2
306 1 106 GLN HA 1 107 GLY QA 5.000 . 5.500 4.245 4.226 4.265 . 0 0 "[ . 1 . 2]" 2
307 1 109 PHE QB 1 110 LYS HA 5.000 . 5.500 3.816 3.763 3.888 . 0 0 "[ . 1 . 2]" 2
308 1 110 LYS HA 1 113 LEU QB 4.000 . 4.500 2.849 2.609 3.089 . 0 0 "[ . 1 . 2]" 2
309 1 110 LYS HA 1 113 LEU H 4.000 . 4.500 3.704 3.513 3.887 . 0 0 "[ . 1 . 2]" 2
310 1 111 GLN HA 1 114 VAL MG1 5.000 . 5.500 3.701 1.827 4.028 . 0 0 "[ . 1 . 2]" 2
311 1 112 GLY QA 1 116 GLY H 5.000 . 5.500 3.710 3.581 4.037 . 0 0 "[ . 1 . 2]" 2
312 1 113 LEU HA 1 117 ILE H 5.000 . 5.500 4.120 3.823 4.550 . 0 0 "[ . 1 . 2]" 2
313 1 114 VAL MG1 1 115 ASP HA 5.000 . 5.500 3.418 3.198 3.574 . 0 0 "[ . 1 . 2]" 2
314 1 114 VAL HA 1 117 ILE HB 5.000 . 5.500 2.891 2.646 3.416 . 0 0 "[ . 1 . 2]" 2
315 1 114 VAL HA 1 117 ILE H 5.000 . 5.500 3.620 3.481 3.819 . 0 0 "[ . 1 . 2]" 2
316 1 116 GLY QA 1 117 ILE HA 5.000 . 5.500 4.079 4.058 4.094 . 0 0 "[ . 1 . 2]" 2
317 1 116 GLY QA 1 119 LYS QB 5.000 . 5.500 2.883 2.670 3.005 . 0 0 "[ . 1 . 2]" 2
318 1 117 ILE HA 1 120 ALA MB 4.000 . 4.500 2.253 2.086 2.498 . 0 0 "[ . 1 . 2]" 2
319 1 120 ALA HA 1 123 ALA MB 4.000 . 4.500 2.843 2.702 2.927 . 0 0 "[ . 1 . 2]" 2
320 1 120 ALA MB 1 124 LEU MD1 5.000 . 5.500 2.293 2.075 2.545 . 0 0 "[ . 1 . 2]" 2
321 1 120 ALA HA 1 124 LEU HG 4.000 . 4.500 3.342 3.169 3.543 . 0 0 "[ . 1 . 2]" 2
322 1 121 GLY QA 1 124 LEU HG 5.000 . 5.500 4.109 4.023 4.267 . 0 0 "[ . 1 . 2]" 2
323 1 121 GLY QA 1 124 LEU QB 5.000 . 5.500 2.474 2.264 2.614 . 0 0 "[ . 1 . 2]" 2
324 1 121 GLY QA 1 125 ALA H 5.000 . 5.500 3.637 3.575 3.722 . 0 0 "[ . 1 . 2]" 2
325 1 122 MET HA 1 125 ALA MB 4.000 . 4.500 2.347 2.190 2.516 . 0 0 "[ . 1 . 2]" 2
326 1 122 MET HA 1 125 ALA H 4.000 . 4.500 3.450 3.372 3.520 . 0 0 "[ . 1 . 2]" 2
327 1 124 LEU MD2 1 127 TYR QD 5.000 . 5.500 3.997 3.655 4.287 . 0 0 "[ . 1 . 2]" 2
328 1 124 LEU HA 1 127 TYR QD 5.000 . 5.500 2.921 2.675 3.156 . 0 0 "[ . 1 . 2]" 2
329 1 124 LEU MD2 1 128 PHE QD . . 4.500 3.542 3.147 4.110 . 0 0 "[ . 1 . 2]" 2
330 1 125 ALA HA 1 127 TYR H 5.000 . 5.500 4.346 4.259 4.444 . 0 0 "[ . 1 . 2]" 2
331 1 125 ALA MB 1 129 PRO HA 5.000 . 5.500 3.485 3.175 3.761 . 0 0 "[ . 1 . 2]" 2
332 1 125 ALA HA 1 129 PRO HA 5.000 . 5.500 3.420 3.141 3.658 . 0 0 "[ . 1 . 2]" 2
333 1 127 TYR QB 1 128 PHE QD . . 4.500 2.515 1.943 3.166 . 0 0 "[ . 1 . 2]" 2
334 1 130 TRP HZ3 1 132 LYS HA 5.000 . 5.500 3.178 2.680 3.479 . 0 0 "[ . 1 . 2]" 2
335 1 130 TRP HH2 1 132 LYS HA 5.000 . 5.500 2.851 2.490 3.133 . 0 0 "[ . 1 . 2]" 2
336 1 130 TRP HZ2 1 132 LYS HA 5.000 . 5.500 3.877 3.727 4.091 . 0 0 "[ . 1 . 2]" 2
337 1 131 LYS QB 1 134 ASP HA 4.000 . 4.500 3.430 3.172 4.612 0.112 15 0 "[ . 1 . 2]" 2
338 1 135 ILE HB 1 136 ASP HA 5.000 . 5.500 4.843 4.516 5.229 . 0 0 "[ . 1 . 2]" 2
339 1 136 ASP HA 1 137 GLU HA 5.000 . 5.500 4.583 4.513 4.642 . 0 0 "[ . 1 . 2]" 2
340 1 138 LEU HA 1 139 PRO QG 5.000 . 5.500 3.982 3.932 4.019 . 0 0 "[ . 1 . 2]" 2
341 1 139 PRO HA 1 140 ASN HA 5.000 . 5.500 4.523 4.486 4.552 . 0 0 "[ . 1 . 2]" 2
342 1 141 THR HA 1 142 ILE QG 5.000 . 5.500 3.370 3.156 3.528 . 0 0 "[ . 1 . 2]" 2
343 1 141 THR HA 1 142 ILE HB 5.000 . 5.500 4.603 4.488 4.714 . 0 0 "[ . 1 . 2]" 2
344 1 144 LYS HA 1 145 GLY QA 5.000 . 5.500 3.989 3.962 4.067 . 0 0 "[ . 1 . 2]" 2
345 1 4 ILE HA 1 7 PHE QD 5.000 . 5.500 5.239 2.790 5.647 0.147 15 0 "[ . 1 . 2]" 2
346 1 7 PHE HA 1 7 PHE QD 4.000 . 4.500 2.474 2.054 2.885 . 0 0 "[ . 1 . 2]" 2
347 1 7 PHE QD 1 8 LEU HG 5.000 . 5.500 3.787 1.958 4.890 . 0 0 "[ . 1 . 2]" 2
348 1 7 PHE QD 1 109 PHE QD 3.000 . 3.500 3.486 2.615 3.727 0.227 9 0 "[ . 1 . 2]" 2
349 1 7 PHE HA 1 109 PHE QE 5.000 . 5.500 5.521 5.305 5.679 0.179 1 0 "[ . 1 . 2]" 2
350 1 8 LEU MD2 1 109 PHE QD 4.000 . 4.500 3.551 2.391 4.355 . 0 0 "[ . 1 . 2]" 2
351 1 26 ASN HA 1 130 TRP HD1 4.000 . 4.500 3.621 3.399 3.896 . 0 0 "[ . 1 . 2]" 2
352 1 34 HIS HD2 1 35 LEU QD 5.000 . 5.500 5.347 4.897 5.541 0.041 19 0 "[ . 1 . 2]" 2
353 1 34 HIS HD2 1 36 GLU QB 4.000 . 4.500 3.027 2.786 3.197 . 0 0 "[ . 1 . 2]" 2
354 1 34 HIS HD2 1 36 GLU HA 5.000 . 5.500 5.330 4.929 5.575 0.075 17 0 "[ . 1 . 2]" 2
355 1 34 HIS HE1 1 50 VAL MG1 4.000 . 4.500 3.326 2.742 3.763 . 0 0 "[ . 1 . 2]" 2
356 1 34 HIS HD2 1 66 LEU MD2 5.000 . 5.500 4.890 4.491 5.241 . 0 0 "[ . 1 . 2]" 2
357 1 34 HIS HD2 1 68 TYR HA 5.000 . 5.500 3.487 3.104 3.931 . 0 0 "[ . 1 . 2]" 2
358 1 34 HIS HD2 1 69 VAL H 4.000 . 4.500 4.052 3.664 4.491 . 0 0 "[ . 1 . 2]" 2
359 1 35 LEU QD 1 109 PHE QE 5.000 . 5.500 5.020 3.688 5.568 0.068 5 0 "[ . 1 . 2]" 2
360 1 36 GLU QB 1 68 TYR QE 5.000 . 5.500 3.126 2.816 3.583 . 0 0 "[ . 1 . 2]" 2
361 1 44 PHE HA 1 44 PHE QD 4.000 . 4.500 2.582 2.247 2.953 . 0 0 "[ . 1 . 2]" 2
362 1 44 PHE H 1 44 PHE QD 4.000 . 4.500 4.035 2.171 4.160 . 0 0 "[ . 1 . 2]" 2
363 1 44 PHE QD 1 45 ASP QB 5.000 . 5.500 4.168 3.240 5.561 0.061 20 0 "[ . 1 . 2]" 2
364 1 44 PHE QE 1 77 VAL QG 5.000 . 5.500 4.420 2.836 5.073 . 0 0 "[ . 1 . 2]" 2
365 1 44 PHE QE 1 79 TYR QD 4.000 . 4.500 3.288 2.523 4.560 0.060 9 0 "[ . 1 . 2]" 2
366 1 48 MET QG 1 52 HIS HE1 4.000 . 4.500 4.366 4.125 4.564 0.064 20 0 "[ . 1 . 2]" 2
367 1 48 MET QG 1 52 HIS HD2 5.000 . 5.500 3.041 2.682 3.573 . 0 0 "[ . 1 . 2]" 2
368 1 48 MET QG 1 79 TYR QE 4.000 . 4.500 3.230 2.773 3.713 . 0 0 "[ . 1 . 2]" 2
369 1 48 MET HA 1 79 TYR QD 4.000 . 4.500 3.615 3.278 4.159 . 0 0 "[ . 1 . 2]" 2
370 1 48 MET QB 1 79 TYR QE 5.000 . 5.500 4.080 3.542 4.363 . 0 0 "[ . 1 . 2]" 2
371 1 49 ASP HA 1 52 HIS HD2 5.000 . 5.500 4.725 4.502 5.306 . 0 0 "[ . 1 . 2]" 2
372 1 50 VAL MG2 1 68 TYR QE 5.000 . 5.500 3.214 2.723 3.545 . 0 0 "[ . 1 . 2]" 2
373 1 51 PHE HA 1 51 PHE QD 4.000 . 4.500 2.789 2.030 3.188 . 0 0 "[ . 1 . 2]" 2
374 1 51 PHE QB 1 51 PHE QE 4.000 . 4.500 3.968 3.957 3.977 . 0 0 "[ . 1 . 2]" 2
375 1 51 PHE QB 1 52 HIS HD2 4.000 . 4.500 2.058 1.916 2.284 . 0 0 "[ . 1 . 2]" 2
376 1 51 PHE QD 1 66 LEU QB 4.000 . 4.500 1.880 1.795 2.094 0.005 8 0 "[ . 1 . 2]" 2
377 1 51 PHE QE 1 66 LEU QB 4.000 . 4.500 2.581 2.078 3.136 . 0 0 "[ . 1 . 2]" 2
378 1 51 PHE QD 1 66 LEU MD2 4.000 . 4.500 2.158 1.878 2.716 . 0 0 "[ . 1 . 2]" 2
379 1 52 HIS QB 1 52 HIS HD2 3.000 . 3.500 3.021 2.925 3.186 . 0 0 "[ . 1 . 2]" 2
380 1 52 HIS HD2 1 79 TYR QD 4.000 . 4.500 4.584 4.530 4.633 0.133 8 0 "[ . 1 . 2]" 2
381 1 52 HIS HD2 1 79 TYR QE 4.000 . 4.500 3.215 2.957 3.490 . 0 0 "[ . 1 . 2]" 2
382 1 61 LEU MD2 1 128 PHE QE 4.000 . 4.500 3.739 2.582 4.419 . 0 0 "[ . 1 . 2]" 2
383 1 66 LEU H 1 79 TYR QD 5.000 . 5.500 4.446 4.059 4.805 . 0 0 "[ . 1 . 2]" 2
384 1 66 LEU QB 1 79 TYR QD 5.000 . 5.500 3.380 3.019 3.585 . 0 0 "[ . 1 . 2]" 2
385 1 66 LEU MD2 1 79 TYR QD 4.000 . 4.500 3.710 3.341 4.052 . 0 0 "[ . 1 . 2]" 2
386 1 68 TYR HA 1 68 TYR QD 4.000 . 4.500 2.972 2.857 3.091 . 0 0 "[ . 1 . 2]" 2
387 1 68 TYR QB 1 68 TYR QE 4.000 . 4.500 3.961 3.955 3.967 . 0 0 "[ . 1 . 2]" 2
388 1 68 TYR QD 1 69 VAL QG 5.000 . 5.500 4.396 4.176 4.559 . 0 0 "[ . 1 . 2]" 2
389 1 68 TYR QD 1 69 VAL HA 5.000 . 5.500 3.698 3.360 3.951 . 0 0 "[ . 1 . 2]" 2
390 1 68 TYR QE 1 70 ALA HA 4.000 . 4.500 3.921 3.383 4.360 . 0 0 "[ . 1 . 2]" 2
391 1 68 TYR QD 1 70 ALA H 5.000 . 5.500 4.103 3.882 4.302 . 0 0 "[ . 1 . 2]" 2
392 1 68 TYR QD 1 76 PHE HA 5.000 . 5.500 4.304 3.836 4.785 . 0 0 "[ . 1 . 2]" 2
393 1 68 TYR QD 1 77 VAL QG 5.000 . 5.500 3.220 2.828 3.654 . 0 0 "[ . 1 . 2]" 2
394 1 68 TYR QD 1 77 VAL HB 4.000 . 4.500 3.110 2.642 3.557 . 0 0 "[ . 1 . 2]" 2
395 1 76 PHE QE 1 78 ILE QG 4.000 . 4.500 3.910 3.512 4.214 . 0 0 "[ . 1 . 2]" 2
396 1 69 VAL MG1 1 104 PHE HZ 3.000 . 3.500 2.146 1.918 2.459 . 0 0 "[ . 1 . 2]" 2
397 1 71 VAL HA 1 104 PHE QE 4.000 . 4.500 4.529 4.182 4.650 0.150 2 0 "[ . 1 . 2]" 2
398 1 71 VAL MG1 1 109 PHE QE 4.000 . 4.500 3.914 3.164 4.572 0.072 8 0 "[ . 1 . 2]" 2
399 1 74 LYS QD 1 109 PHE QE 3.000 . 3.500 3.480 2.878 3.682 0.182 5 0 "[ . 1 . 2]" 2
400 1 75 THR HA 1 76 PHE QD 4.000 . 4.500 3.012 2.638 3.370 . 0 0 "[ . 1 . 2]" 2
401 1 76 PHE HA 1 76 PHE QD 4.000 . 4.500 3.712 3.698 3.724 . 0 0 "[ . 1 . 2]" 2
402 1 76 PHE QD 1 77 VAL HA 4.000 . 4.500 3.662 3.507 3.889 . 0 0 "[ . 1 . 2]" 2
403 1 76 PHE QD 1 78 ILE QG 4.000 . 4.500 2.681 2.452 2.845 . 0 0 "[ . 1 . 2]" 2
404 1 76 PHE QE 1 97 ARG HA 4.000 . 4.500 2.652 1.939 2.967 . 0 0 "[ . 1 . 2]" 2
405 1 76 PHE QD 1 100 ILE HB 5.000 . 5.500 4.057 3.655 4.343 . 0 0 "[ . 1 . 2]" 2
406 1 78 ILE HB 1 93 TRP HZ3 4.000 . 4.500 1.981 1.933 2.119 . 0 0 "[ . 1 . 2]" 2
407 1 78 ILE HB 1 93 TRP HH2 4.000 . 4.500 4.187 4.092 4.293 . 0 0 "[ . 1 . 2]" 2
408 1 79 TYR HA 1 79 TYR QD 4.000 . 4.500 2.328 1.934 2.576 . 0 0 "[ . 1 . 2]" 2
409 1 79 TYR QB 1 93 TRP HH2 5.000 . 5.500 4.504 4.369 4.613 . 0 0 "[ . 1 . 2]" 2
410 1 80 GLY QA 1 93 TRP HZ2 5.000 . 5.500 2.375 2.174 2.632 . 0 0 "[ . 1 . 2]" 2
411 1 80 GLY HA3 1 93 TRP HH2 4.000 . 4.500 2.981 2.864 3.147 . 0 0 "[ . 1 . 2]" 2
412 1 87 VAL MG2 1 127 TYR QD 3.000 . 3.500 2.450 1.838 3.505 0.005 5 0 "[ . 1 . 2]" 2
413 1 88 VAL MG2 1 92 PHE QE 5.000 . 5.500 3.235 2.927 3.534 . 0 0 "[ . 1 . 2]" 2
414 1 88 VAL QG 1 92 PHE HZ 5.000 . 5.500 3.387 3.130 3.628 . 0 0 "[ . 1 . 2]" 2
415 1 88 VAL HA 1 127 TYR QE 4.000 . 4.500 3.082 2.793 3.508 . 0 0 "[ . 1 . 2]" 2
416 1 88 VAL QG 1 127 TYR QE 4.000 . 4.500 2.929 2.707 3.251 . 0 0 "[ . 1 . 2]" 2
417 1 92 PHE QE 1 123 ALA MB 4.000 . 4.500 2.080 1.913 2.307 . 0 0 "[ . 1 . 2]" 2
418 1 92 PHE HZ 1 124 LEU QB 5.000 . 5.500 3.784 3.593 4.090 . 0 0 "[ . 1 . 2]" 2
419 1 92 PHE QE 1 127 TYR QE 4.000 . 4.500 2.324 1.952 2.624 . 0 0 "[ . 1 . 2]" 2
420 1 92 PHE QD 1 127 TYR QE 4.000 . 4.500 2.413 2.127 2.717 . 0 0 "[ . 1 . 2]" 2
421 1 92 PHE QE 1 127 TYR QD 4.000 . 4.500 2.917 2.653 3.181 . 0 0 "[ . 1 . 2]" 2
422 1 92 PHE HZ 1 127 TYR QD 4.000 . 4.500 3.543 3.313 3.972 . 0 0 "[ . 1 . 2]" 2
423 1 93 TRP HA 1 93 TRP HE3 4.000 . 4.500 3.958 3.801 4.123 . 0 0 "[ . 1 . 2]" 2
424 1 93 TRP HE3 1 96 THR HG1 5.000 . 5.500 4.726 4.251 5.569 0.069 14 0 "[ . 1 . 2]" 2
425 1 93 TRP HE3 1 96 THR HB 4.000 . 4.500 4.054 3.856 4.259 . 0 0 "[ . 1 . 2]" 2
426 1 93 TRP HZ3 1 97 ARG QG 5.000 . 5.500 4.839 4.551 5.013 . 0 0 "[ . 1 . 2]" 2
427 1 103 GLN QB 1 104 PHE QD 5.000 . 5.500 3.043 2.856 3.270 . 0 0 "[ . 1 . 2]" 2
428 1 104 PHE HA 1 104 PHE QD 4.000 . 4.500 2.905 2.782 2.965 . 0 0 "[ . 1 . 2]" 2
429 1 104 PHE QD 1 105 LYS H 5.000 . 5.500 4.448 4.365 4.505 . 0 0 "[ . 1 . 2]" 2
430 1 104 PHE QE 1 109 PHE HA 4.000 . 4.500 3.100 2.618 3.396 . 0 0 "[ . 1 . 2]" 2
431 1 104 PHE QD 1 112 GLY H 5.000 . 5.500 4.293 3.976 4.512 . 0 0 "[ . 1 . 2]" 2
432 1 104 PHE QD 1 113 LEU HG 5.000 . 5.500 4.215 3.992 4.472 . 0 0 "[ . 1 . 2]" 2
433 1 104 PHE QE 1 113 LEU HG 3.000 . 3.500 2.012 1.901 2.366 . 0 0 "[ . 1 . 2]" 2
434 1 107 GLY QA 1 109 PHE QE 4.000 . 4.500 3.382 2.866 3.884 . 0 0 "[ . 1 . 2]" 2
435 1 108 ASN H 1 109 PHE QD 5.000 . 5.500 4.522 3.929 5.028 . 0 0 "[ . 1 . 2]" 2
436 1 109 PHE HA 1 109 PHE QD 4.000 . 4.500 2.017 1.942 2.371 . 0 0 "[ . 1 . 2]" 2
437 1 109 PHE H 1 109 PHE QD 5.000 . 5.500 2.857 2.307 3.037 . 0 0 "[ . 1 . 2]" 2
438 1 124 LEU HA 1 128 PHE QD 4.000 . 4.500 4.118 3.539 4.569 0.069 15 0 "[ . 1 . 2]" 2
439 1 126 LYS QB 1 127 TYR QE 4.000 . 4.500 3.403 3.006 3.673 . 0 0 "[ . 1 . 2]" 2
440 1 127 TYR HA 1 127 TYR QD 4.000 . 4.500 2.948 2.765 3.036 . 0 0 "[ . 1 . 2]" 2
441 1 127 TYR QD 1 128 PHE QE 5.000 . 5.500 4.312 3.579 5.180 . 0 0 "[ . 1 . 2]" 2
442 1 127 TYR QB 1 128 PHE QE 4.000 . 4.500 2.942 2.054 3.743 . 0 0 "[ . 1 . 2]" 2
443 1 128 PHE HA 1 128 PHE QD 4.000 . 4.500 2.593 2.009 3.037 . 0 0 "[ . 1 . 2]" 2
444 1 130 TRP HA 1 130 TRP HD1 5.000 . 5.500 2.673 2.553 2.846 . 0 0 "[ . 1 . 2]" 2
445 1 130 TRP HH2 1 132 LYS QG 4.000 . 4.500 3.514 2.928 4.019 . 0 0 "[ . 1 . 2]" 2
446 1 130 TRP HH2 1 132 LYS QB 4.000 . 4.500 4.391 4.052 4.574 0.074 10 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 172
_Distance_constraint_stats_list.Viol_count 853
_Distance_constraint_stats_list.Viol_total 1064.279
_Distance_constraint_stats_list.Viol_max 0.529
_Distance_constraint_stats_list.Viol_rms 0.0388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.0624
_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 9 THR 0.138 0.084 6 0 "[ . 1 . 2]"
1 10 ALA 0.305 0.068 16 0 "[ . 1 . 2]"
1 11 GLU 1.070 0.123 1 0 "[ . 1 . 2]"
1 12 GLU 0.692 0.121 11 0 "[ . 1 . 2]"
1 13 GLU 0.171 0.084 6 0 "[ . 1 . 2]"
1 14 LYS 0.387 0.068 16 0 "[ . 1 . 2]"
1 15 ALA 1.734 0.123 1 0 "[ . 1 . 2]"
1 16 ILE 1.672 0.121 11 0 "[ . 1 . 2]"
1 17 VAL 0.090 0.055 9 0 "[ . 1 . 2]"
1 18 ASP 0.100 0.036 20 0 "[ . 1 . 2]"
1 19 ALA 0.745 0.111 18 0 "[ . 1 . 2]"
1 20 ILE 1.910 0.124 13 0 "[ . 1 . 2]"
1 21 ARG 0.058 0.055 9 0 "[ . 1 . 2]"
1 22 ASP 0.048 0.030 9 0 "[ . 1 . 2]"
1 23 ALA 2.574 0.146 14 0 "[ . 1 . 2]"
1 24 GLU 0.930 0.124 13 0 "[ . 1 . 2]"
1 25 LYS 0.030 0.030 9 0 "[ . 1 . 2]"
1 26 ASN 1.094 0.094 8 0 "[ . 1 . 2]"
1 27 THR 1.399 0.146 14 0 "[ . 1 . 2]"
1 30 GLU 0.335 0.081 17 0 "[ . 1 . 2]"
1 32 ARG 1.542 0.106 5 0 "[ . 1 . 2]"
1 33 VAL 0.215 0.057 17 0 "[ . 1 . 2]"
1 34 HIS 1.757 0.129 5 0 "[ . 1 . 2]"
1 35 LEU 0.588 0.136 15 0 "[ . 1 . 2]"
1 36 GLU 0.961 0.130 15 0 "[ . 1 . 2]"
1 37 LYS 2.410 0.271 11 0 "[ . 1 . 2]"
1 42 ASP 0.360 0.040 4 0 "[ . 1 . 2]"
1 43 VAL 2.254 0.157 3 0 "[ . 1 . 2]"
1 44 PHE 0.242 0.090 15 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.360 0.040 4 0 "[ . 1 . 2]"
1 47 ALA 4.258 0.157 3 0 "[ . 1 . 2]"
1 48 MET 0.242 0.090 15 0 "[ . 1 . 2]"
1 49 ASP 1.521 0.115 15 0 "[ . 1 . 2]"
1 50 VAL 0.022 0.018 14 0 "[ . 1 . 2]"
1 51 PHE 2.418 0.127 20 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ASN 1.521 0.115 15 0 "[ . 1 . 2]"
1 54 LEU 0.022 0.018 14 0 "[ . 1 . 2]"
1 55 LYS 0.026 0.015 19 0 "[ . 1 . 2]"
1 56 MET 0.413 0.094 16 0 "[ . 1 . 2]"
1 57 ASP 1.107 0.529 18 1 "[ . 1 . + 2]"
1 58 ASN 0.026 0.015 19 0 "[ . 1 . 2]"
1 59 THR 1.107 0.529 18 1 "[ . 1 . + 2]"
1 62 GLN 0.366 0.087 2 0 "[ . 1 . 2]"
1 63 ASN 0.170 0.081 17 0 "[ . 1 . 2]"
1 64 GLY 0.113 0.050 9 0 "[ . 1 . 2]"
1 65 VAL 1.641 0.106 5 0 "[ . 1 . 2]"
1 66 LEU 0.259 0.082 14 0 "[ . 1 . 2]"
1 67 ILE 1.822 0.129 5 0 "[ . 1 . 2]"
1 68 TYR 0.931 0.097 19 0 "[ . 1 . 2]"
1 69 VAL 0.151 0.056 11 0 "[ . 1 . 2]"
1 70 ALA 1.214 0.125 7 0 "[ . 1 . 2]"
1 71 VAL 0.810 0.130 15 0 "[ . 1 . 2]"
1 72 GLU 2.410 0.271 11 0 "[ . 1 . 2]"
1 74 LYS 0.810 0.125 7 0 "[ . 1 . 2]"
1 75 THR 0.404 0.084 18 0 "[ . 1 . 2]"
1 77 VAL 0.931 0.097 19 0 "[ . 1 . 2]"
1 79 TYR 0.259 0.082 14 0 "[ . 1 . 2]"
1 81 ASP 0.199 0.052 18 0 "[ . 1 . 2]"
1 82 LYS 0.296 0.044 20 0 "[ . 1 . 2]"
1 83 GLY 3.132 0.287 7 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ASN 0.087 0.052 18 0 "[ . 1 . 2]"
1 86 ASP 0.296 0.044 20 0 "[ . 1 . 2]"
1 87 VAL 2.765 0.287 7 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 2.916 0.204 8 0 "[ . 1 . 2]"
1 90 ASP 0.079 0.025 7 0 "[ . 1 . 2]"
1 93 TRP 7.334 0.219 6 0 "[ . 1 . 2]"
1 94 ASP 0.093 0.025 7 0 "[ . 1 . 2]"
1 95 THR 0.251 0.083 3 0 "[ . 1 . 2]"
1 96 THR 3.728 0.171 15 0 "[ . 1 . 2]"
1 97 ARG 3.694 0.219 6 0 "[ . 1 . 2]"
1 98 ASN 0.066 0.050 5 0 "[ . 1 . 2]"
1 99 ALA 1.800 0.138 3 0 "[ . 1 . 2]"
1 100 ILE 2.527 0.171 15 0 "[ . 1 . 2]"
1 101 GLN 0.478 0.064 19 0 "[ . 1 . 2]"
1 102 LEU 4.040 0.276 12 0 "[ . 1 . 2]"
1 103 GLN 2.202 0.138 3 0 "[ . 1 . 2]"
1 104 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLN 3.989 0.276 12 0 "[ . 1 . 2]"
1 107 GLY 0.476 0.104 13 0 "[ . 1 . 2]"
1 108 ASN 1.172 0.112 4 0 "[ . 1 . 2]"
1 109 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 GLN 0.001 0.001 16 0 "[ . 1 . 2]"
1 112 GLY 0.995 0.112 4 0 "[ . 1 . 2]"
1 113 LEU 0.144 0.083 10 0 "[ . 1 . 2]"
1 114 VAL 0.086 0.086 10 0 "[ . 1 . 2]"
1 115 ASP 0.001 0.001 16 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.343 0.083 10 0 "[ . 1 . 2]"
1 118 GLU 0.086 0.086 10 0 "[ . 1 . 2]"
1 119 LYS 0.064 0.026 19 0 "[ . 1 . 2]"
1 120 ALA 0.459 0.092 13 0 "[ . 1 . 2]"
1 121 GLY 0.417 0.057 13 0 "[ . 1 . 2]"
1 122 MET 3.522 0.274 4 0 "[ . 1 . 2]"
1 123 ALA 0.064 0.026 19 0 "[ . 1 . 2]"
1 124 LEU 1.574 0.113 2 0 "[ . 1 . 2]"
1 125 ALA 0.219 0.045 20 0 "[ . 1 . 2]"
1 126 LYS 3.522 0.274 4 0 "[ . 1 . 2]"
1 127 TYR 0.098 0.035 5 0 "[ . 1 . 2]"
1 128 PHE 1.017 0.113 2 0 "[ . 1 . 2]"
1 131 LYS 0.123 0.055 2 0 "[ . 1 . 2]"
1 134 ASP 0.123 0.055 2 0 "[ . 1 . 2]"
1 143 SER 0.434 0.076 19 0 "[ . 1 . 2]"
1 145 GLY 0.369 0.136 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 9 THR O 1 13 GLU H 2.040 . 2.270 1.942 1.726 2.236 0.084 6 0 "[ . 1 . 2]" 3
2 1 9 THR O 1 13 GLU N 3.000 2.700 3.400 2.915 2.700 3.183 . 6 0 "[ . 1 . 2]" 3
3 1 10 ALA O 1 14 LYS H 2.040 . 2.270 1.900 1.772 2.338 0.068 16 0 "[ . 1 . 2]" 3
4 1 10 ALA O 1 14 LYS N 3.000 2.700 3.400 2.803 2.671 3.213 0.029 6 0 "[ . 1 . 2]" 3
5 1 11 GLU O 1 15 ALA H 2.040 . 2.270 2.321 2.215 2.393 0.123 1 0 "[ . 1 . 2]" 3
6 1 11 GLU O 1 15 ALA N 3.000 2.700 3.400 3.270 3.167 3.343 . 0 0 "[ . 1 . 2]" 3
7 1 12 GLU O 1 16 ILE H 2.040 . 2.270 2.289 2.148 2.391 0.121 11 0 "[ . 1 . 2]" 3
8 1 12 GLU O 1 16 ILE N 3.000 2.700 3.400 3.258 3.116 3.359 . 0 0 "[ . 1 . 2]" 3
9 1 13 GLU O 1 17 VAL H 2.040 . 2.270 2.152 1.998 2.289 0.019 20 0 "[ . 1 . 2]" 3
10 1 13 GLU O 1 17 VAL N 3.000 2.700 3.400 3.067 2.903 3.231 . 0 0 "[ . 1 . 2]" 3
11 1 14 LYS O 1 18 ASP H 2.040 . 2.270 2.200 2.077 2.306 0.036 20 0 "[ . 1 . 2]" 3
12 1 14 LYS O 1 18 ASP N 3.000 2.700 3.400 3.106 2.994 3.228 . 0 0 "[ . 1 . 2]" 3
13 1 15 ALA O 1 19 ALA H 2.040 . 2.270 2.288 2.202 2.381 0.111 18 0 "[ . 1 . 2]" 3
14 1 15 ALA O 1 19 ALA N 3.000 2.700 3.400 3.175 3.079 3.281 . 0 0 "[ . 1 . 2]" 3
15 1 16 ILE O 1 20 ILE H 2.040 . 2.270 2.319 2.273 2.366 0.096 13 0 "[ . 1 . 2]" 3
16 1 16 ILE O 1 20 ILE N 3.000 2.700 3.400 3.223 3.165 3.273 . 0 0 "[ . 1 . 2]" 3
17 1 17 VAL O 1 21 ARG H 2.040 . 2.270 2.223 2.152 2.325 0.055 9 0 "[ . 1 . 2]" 3
18 1 17 VAL O 1 21 ARG N 3.000 2.700 3.400 3.169 3.094 3.282 . 0 0 "[ . 1 . 2]" 3
19 1 18 ASP O 1 22 ASP H 2.040 . 2.270 2.166 2.014 2.285 0.015 2 0 "[ . 1 . 2]" 3
20 1 18 ASP O 1 22 ASP N 3.000 2.700 3.400 3.113 2.962 3.218 . 0 0 "[ . 1 . 2]" 3
21 1 19 ALA O 1 23 ALA H 2.040 . 2.270 2.228 2.068 2.295 0.025 18 0 "[ . 1 . 2]" 3
22 1 19 ALA O 1 23 ALA N 3.000 2.700 3.400 3.140 3.000 3.210 . 0 0 "[ . 1 . 2]" 3
23 1 20 ILE O 1 24 GLU H 2.040 . 2.270 2.314 2.249 2.394 0.124 13 0 "[ . 1 . 2]" 3
24 1 20 ILE O 1 24 GLU N 3.000 2.700 3.400 3.258 3.192 3.337 . 0 0 "[ . 1 . 2]" 3
25 1 22 ASP O 1 25 LYS H 2.040 . 2.270 2.166 2.059 2.300 0.030 9 0 "[ . 1 . 2]" 3
26 1 22 ASP O 1 25 LYS N 3.000 2.700 3.400 3.035 2.940 3.169 . 0 0 "[ . 1 . 2]" 3
27 1 23 ALA O 1 26 ASN H 2.040 . 2.270 1.761 1.716 1.806 0.094 8 0 "[ . 1 . 2]" 3
28 1 23 ALA O 1 26 ASN N 3.000 2.700 3.400 2.701 2.653 2.744 0.047 8 0 "[ . 1 . 2]" 3
29 1 23 ALA O 1 27 THR H 2.040 . 2.270 2.340 2.268 2.416 0.146 14 0 "[ . 1 . 2]" 3
30 1 23 ALA O 1 27 THR N 3.000 2.700 3.400 3.098 3.046 3.159 . 0 0 "[ . 1 . 2]" 3
31 1 30 GLU H 1 63 ASN O 2.040 . 2.270 1.909 1.729 2.067 0.081 17 0 "[ . 1 . 2]" 3
32 1 30 GLU N 1 63 ASN O 3.000 2.700 3.400 2.882 2.684 3.046 0.016 17 0 "[ . 1 . 2]" 3
33 1 32 ARG H 1 65 VAL O 2.040 . 2.270 1.782 1.713 1.839 0.097 15 0 "[ . 1 . 2]" 3
34 1 32 ARG N 1 65 VAL O 3.000 2.700 3.400 2.658 2.594 2.706 0.106 5 0 "[ . 1 . 2]" 3
35 1 34 HIS H 1 67 ILE O 2.040 . 2.270 1.741 1.681 1.898 0.129 5 0 "[ . 1 . 2]" 3
36 1 34 HIS N 1 67 ILE O 3.000 2.700 3.400 2.698 2.626 2.830 0.074 5 0 "[ . 1 . 2]" 3
37 1 35 LEU H 1 143 SER O 2.040 . 2.270 2.140 1.839 2.346 0.076 19 0 "[ . 1 . 2]" 3
38 1 35 LEU N 1 143 SER O 3.000 2.700 3.400 3.059 2.723 3.258 . 0 0 "[ . 1 . 2]" 3
39 1 36 GLU H 1 69 VAL O 2.040 . 2.270 2.185 1.870 2.326 0.056 11 0 "[ . 1 . 2]" 3
40 1 36 GLU N 1 69 VAL O 3.000 2.700 3.400 3.158 2.832 3.309 . 0 0 "[ . 1 . 2]" 3
41 1 42 ASP O 1 46 ARG H 2.040 . 2.270 1.826 1.770 1.942 0.040 4 0 "[ . 1 . 2]" 3
42 1 42 ASP O 1 46 ARG N 3.000 2.700 3.400 2.732 2.661 2.882 0.039 15 0 "[ . 1 . 2]" 3
43 1 43 VAL O 1 47 ALA H 2.040 . 2.270 1.729 1.653 1.817 0.157 3 0 "[ . 1 . 2]" 3
44 1 43 VAL O 1 47 ALA N 3.000 2.700 3.400 2.676 2.607 2.791 0.093 3 0 "[ . 1 . 2]" 3
45 1 44 PHE O 1 48 MET H 2.040 . 2.270 2.253 2.110 2.360 0.090 15 0 "[ . 1 . 2]" 3
46 1 44 PHE O 1 48 MET N 3.000 2.700 3.400 3.180 3.049 3.299 . 0 0 "[ . 1 . 2]" 3
47 1 45 ASP O 1 49 ASP H 2.040 . 2.270 2.095 1.965 2.268 . 0 0 "[ . 1 . 2]" 3
48 1 45 ASP O 1 49 ASP N 3.000 2.700 3.400 3.045 2.933 3.202 . 0 0 "[ . 1 . 2]" 3
49 1 46 ARG O 1 50 VAL H 2.040 . 2.270 2.042 1.838 2.172 . 0 0 "[ . 1 . 2]" 3
50 1 46 ARG O 1 50 VAL N 3.000 2.700 3.400 2.999 2.814 3.112 . 0 0 "[ . 1 . 2]" 3
51 1 47 ALA O 1 51 PHE H 2.040 . 2.270 1.732 1.683 1.789 0.127 20 0 "[ . 1 . 2]" 3
52 1 47 ALA O 1 51 PHE N 3.000 2.700 3.400 2.680 2.630 2.735 0.070 20 0 "[ . 1 . 2]" 3
53 1 48 MET O 1 52 HIS H 2.040 . 2.270 2.044 1.976 2.135 . 0 0 "[ . 1 . 2]" 3
54 1 48 MET O 1 52 HIS N 3.000 2.700 3.400 3.012 2.947 3.099 . 0 0 "[ . 1 . 2]" 3
55 1 49 ASP O 1 53 ASN H 2.040 . 2.270 1.780 1.717 1.875 0.093 15 0 "[ . 1 . 2]" 3
56 1 49 ASP O 1 53 ASN N 3.000 2.700 3.400 2.659 2.585 2.721 0.115 15 0 "[ . 1 . 2]" 3
57 1 50 VAL O 1 54 LEU H 2.040 . 2.270 1.897 1.792 2.013 0.018 14 0 "[ . 1 . 2]" 3
58 1 50 VAL O 1 54 LEU N 3.000 2.700 3.400 2.820 2.709 2.911 . 0 0 "[ . 1 . 2]" 3
59 1 52 HIS O 1 55 LYS H 2.040 . 2.270 1.946 1.861 2.017 . 0 0 "[ . 1 . 2]" 3
60 1 52 HIS O 1 55 LYS N 3.000 2.700 3.400 2.843 2.766 2.917 . 0 0 "[ . 1 . 2]" 3
61 1 51 PHE O 1 56 MET H 2.040 . 2.270 2.236 2.120 2.364 0.094 16 0 "[ . 1 . 2]" 3
62 1 51 PHE O 1 56 MET N 3.000 2.700 3.400 3.171 3.030 3.314 . 0 0 "[ . 1 . 2]" 3
63 1 55 LYS O 1 58 ASN H 2.040 . 2.270 2.098 1.973 2.285 0.015 19 0 "[ . 1 . 2]" 3
64 1 55 LYS O 1 58 ASN N 3.000 2.700 3.400 3.031 2.891 3.233 . 0 0 "[ . 1 . 2]" 3
65 1 57 ASP O 1 59 THR H 2.040 . 2.270 2.079 1.788 2.799 0.529 18 1 "[ . 1 . + 2]" 3
66 1 57 ASP O 1 59 THR N 3.000 2.700 3.400 2.819 2.636 3.047 0.064 16 0 "[ . 1 . 2]" 3
67 1 30 GLU O 1 65 VAL H 2.040 . 2.270 1.971 1.823 2.214 . 0 0 "[ . 1 . 2]" 3
68 1 30 GLU O 1 65 VAL N 3.000 2.700 3.400 2.768 2.653 2.981 0.047 1 0 "[ . 1 . 2]" 3
69 1 66 LEU H 1 79 TYR O 2.040 . 2.270 2.029 1.817 2.263 . 0 0 "[ . 1 . 2]" 3
70 1 66 LEU N 1 79 TYR O 3.000 2.700 3.400 2.990 2.769 3.221 . 0 0 "[ . 1 . 2]" 3
71 1 32 ARG O 1 67 ILE H 2.040 . 2.270 1.980 1.775 2.217 0.035 20 0 "[ . 1 . 2]" 3
72 1 32 ARG O 1 67 ILE N 3.000 2.700 3.400 2.825 2.670 3.040 0.030 20 0 "[ . 1 . 2]" 3
73 1 68 TYR H 1 77 VAL O 2.040 . 2.270 2.036 1.837 2.229 . 0 0 "[ . 1 . 2]" 3
74 1 68 TYR N 1 77 VAL O 3.000 2.700 3.400 2.894 2.736 3.028 . 0 0 "[ . 1 . 2]" 3
75 1 34 HIS O 1 69 VAL H 2.040 . 2.270 2.113 1.960 2.236 . 0 0 "[ . 1 . 2]" 3
76 1 34 HIS O 1 69 VAL N 3.000 2.700 3.400 3.042 2.853 3.148 . 0 0 "[ . 1 . 2]" 3
77 1 70 ALA H 1 75 THR O 2.040 . 2.270 1.888 1.726 2.184 0.084 18 0 "[ . 1 . 2]" 3
78 1 70 ALA N 1 75 THR O 3.000 2.700 3.400 2.811 2.688 3.073 0.012 18 0 "[ . 1 . 2]" 3
79 1 36 GLU O 1 71 VAL H 2.040 . 2.270 2.296 2.103 2.400 0.130 15 0 "[ . 1 . 2]" 3
80 1 36 GLU O 1 71 VAL N 3.000 2.700 3.400 3.169 2.938 3.320 . 0 0 "[ . 1 . 2]" 3
81 1 37 LYS O 1 72 GLU H 2.040 . 2.270 2.386 2.300 2.541 0.271 11 0 "[ . 1 . 2]" 3
82 1 37 LYS O 1 72 GLU N 3.000 2.700 3.400 3.280 3.165 3.443 0.043 12 0 "[ . 1 . 2]" 3
83 1 70 ALA O 1 74 LYS H 2.040 . 2.270 2.158 2.075 2.255 . 0 0 "[ . 1 . 2]" 3
84 1 70 ALA O 1 74 LYS N 3.000 2.700 3.400 2.667 2.575 2.777 0.125 7 0 "[ . 1 . 2]" 3
85 1 70 ALA O 1 75 THR H 2.040 . 2.270 2.206 2.057 2.313 0.043 17 0 "[ . 1 . 2]" 3
86 1 70 ALA O 1 75 THR N 3.000 2.700 3.400 3.116 2.972 3.251 . 0 0 "[ . 1 . 2]" 3
87 1 68 TYR O 1 77 VAL H 2.040 . 2.270 1.793 1.713 1.879 0.097 19 0 "[ . 1 . 2]" 3
88 1 68 TYR O 1 77 VAL N 3.000 2.700 3.400 2.711 2.634 2.791 0.066 5 0 "[ . 1 . 2]" 3
89 1 66 LEU O 1 79 TYR H 2.040 . 2.270 2.168 1.893 2.352 0.082 14 0 "[ . 1 . 2]" 3
90 1 66 LEU O 1 79 TYR N 3.000 2.700 3.400 3.130 2.874 3.292 . 0 0 "[ . 1 . 2]" 3
91 1 64 GLY O 1 81 ASP H 2.040 . 2.270 2.079 1.766 2.276 0.044 13 0 "[ . 1 . 2]" 3
92 1 64 GLY O 1 81 ASP N 3.000 2.700 3.400 2.860 2.650 3.009 0.050 9 0 "[ . 1 . 2]" 3
93 1 62 GLN O 1 83 GLY H 2.040 . 2.270 2.138 1.947 2.328 0.058 11 0 "[ . 1 . 2]" 3
94 1 62 GLN O 1 83 GLY N 3.000 2.700 3.400 2.778 2.613 2.975 0.087 2 0 "[ . 1 . 2]" 3
95 1 81 ASP O 1 85 ASN H 2.040 . 2.270 2.190 2.097 2.322 0.052 18 0 "[ . 1 . 2]" 3
96 1 81 ASP O 1 85 ASN N 3.000 2.700 3.400 3.161 3.075 3.300 . 0 0 "[ . 1 . 2]" 3
97 1 82 LYS O 1 86 ASP H 2.040 . 2.270 1.854 1.778 1.938 0.032 19 0 "[ . 1 . 2]" 3
98 1 82 LYS O 1 86 ASP N 3.000 2.700 3.400 2.736 2.656 2.822 0.044 20 0 "[ . 1 . 2]" 3
99 1 83 GLY O 1 87 VAL H 2.040 . 2.270 2.408 2.298 2.557 0.287 7 0 "[ . 1 . 2]" 3
100 1 83 GLY O 1 87 VAL N 3.000 2.700 3.400 3.194 3.104 3.312 . 0 0 "[ . 1 . 2]" 3
101 1 84 ILE O 1 88 VAL H 2.040 . 2.270 1.982 1.817 2.092 . 0 0 "[ . 1 . 2]" 3
102 1 84 ILE O 1 88 VAL N 3.000 2.700 3.400 2.867 2.733 2.962 . 0 0 "[ . 1 . 2]" 3
103 1 89 SER O 1 93 TRP H 2.040 . 2.270 2.416 2.336 2.474 0.204 8 0 "[ . 1 . 2]" 3
104 1 89 SER O 1 93 TRP N 3.000 2.700 3.400 3.178 3.094 3.239 . 0 0 "[ . 1 . 2]" 3
105 1 90 ASP O 1 94 ASP H 2.040 . 2.270 1.944 1.825 2.071 . 0 0 "[ . 1 . 2]" 3
106 1 90 ASP O 1 94 ASP N 3.000 2.700 3.400 2.756 2.675 2.853 0.025 7 0 "[ . 1 . 2]" 3
107 1 93 TRP O 1 96 THR H 2.040 . 2.270 2.328 2.223 2.426 0.156 19 0 "[ . 1 . 2]" 3
108 1 93 TRP O 1 96 THR N 3.000 2.700 3.400 2.969 2.878 3.044 . 0 0 "[ . 1 . 2]" 3
109 1 93 TRP O 1 97 ARG H 2.040 . 2.270 2.430 2.370 2.489 0.219 6 0 "[ . 1 . 2]" 3
110 1 93 TRP O 1 97 ARG N 3.000 2.700 3.400 3.362 3.304 3.415 0.015 6 0 "[ . 1 . 2]" 3
111 1 94 ASP O 1 98 ASN H 2.040 . 2.270 2.219 2.164 2.284 0.014 3 0 "[ . 1 . 2]" 3
112 1 94 ASP O 1 98 ASN N 3.000 2.700 3.400 3.164 3.112 3.224 . 0 0 "[ . 1 . 2]" 3
113 1 95 THR O 1 99 ALA H 2.040 . 2.270 2.265 2.203 2.353 0.083 3 0 "[ . 1 . 2]" 3
114 1 95 THR O 1 99 ALA N 3.000 2.700 3.400 3.235 3.178 3.309 . 0 0 "[ . 1 . 2]" 3
115 1 96 THR O 1 100 ILE H 2.040 . 2.270 2.394 2.319 2.441 0.171 15 0 "[ . 1 . 2]" 3
116 1 96 THR O 1 100 ILE N 3.000 2.700 3.400 3.371 3.293 3.416 0.016 15 0 "[ . 1 . 2]" 3
117 1 97 ARG O 1 101 GLN H 2.040 . 2.270 1.814 1.746 1.917 0.064 19 0 "[ . 1 . 2]" 3
118 1 97 ARG O 1 101 GLN N 3.000 2.700 3.400 2.728 2.661 2.809 0.039 5 0 "[ . 1 . 2]" 3
119 1 98 ASN O 1 102 LEU H 2.040 . 2.270 1.897 1.760 2.008 0.050 5 0 "[ . 1 . 2]" 3
120 1 98 ASN O 1 102 LEU N 3.000 2.700 3.400 2.838 2.724 2.940 . 0 0 "[ . 1 . 2]" 3
121 1 99 ALA O 1 103 GLN H 2.040 . 2.270 2.347 2.291 2.408 0.138 3 0 "[ . 1 . 2]" 3
122 1 99 ALA O 1 103 GLN N 3.000 2.700 3.400 3.295 3.237 3.355 . 0 0 "[ . 1 . 2]" 3
123 1 100 ILE O 1 104 PHE H 2.040 . 2.270 1.955 1.856 2.022 . 0 0 "[ . 1 . 2]" 3
124 1 100 ILE O 1 104 PHE N 3.000 2.700 3.400 2.884 2.795 2.947 . 0 0 "[ . 1 . 2]" 3
125 1 101 GLN O 1 105 LYS H 2.040 . 2.270 1.892 1.814 1.979 . 0 0 "[ . 1 . 2]" 3
126 1 101 GLN O 1 105 LYS N 3.000 2.700 3.400 2.802 2.718 2.896 . 0 0 "[ . 1 . 2]" 3
127 1 102 LEU O 1 106 GLN H 2.040 . 2.270 2.469 2.387 2.546 0.276 12 0 "[ . 1 . 2]" 3
128 1 102 LEU O 1 106 GLN N 3.000 2.700 3.400 3.271 3.147 3.369 . 0 0 "[ . 1 . 2]" 3
129 1 103 GLN O 1 107 GLY H 2.040 . 2.270 2.271 2.135 2.374 0.104 13 0 "[ . 1 . 2]" 3
130 1 103 GLN O 1 107 GLY N 3.000 2.700 3.400 2.991 2.858 3.084 . 0 0 "[ . 1 . 2]" 3
131 1 103 GLN O 1 108 ASN H 2.040 . 2.270 2.179 1.874 2.349 0.079 13 0 "[ . 1 . 2]" 3
132 1 103 GLN O 1 108 ASN N 3.000 2.700 3.400 3.049 2.774 3.213 . 0 0 "[ . 1 . 2]" 3
133 1 108 ASN O 1 112 GLY H 2.040 . 2.270 2.317 2.241 2.382 0.112 4 0 "[ . 1 . 2]" 3
134 1 108 ASN O 1 112 GLY N 3.000 2.700 3.400 3.260 3.183 3.340 . 0 0 "[ . 1 . 2]" 3
135 1 109 PHE O 1 113 LEU H 2.040 . 2.270 2.088 1.915 2.201 . 0 0 "[ . 1 . 2]" 3
136 1 109 PHE O 1 113 LEU N 3.000 2.700 3.400 3.054 2.878 3.160 . 0 0 "[ . 1 . 2]" 3
137 1 110 LYS O 1 114 VAL H 2.040 . 2.270 1.946 1.831 2.072 . 0 0 "[ . 1 . 2]" 3
138 1 110 LYS O 1 114 VAL N 3.000 2.700 3.400 2.910 2.782 3.035 . 0 0 "[ . 1 . 2]" 3
139 1 111 GLN O 1 115 ASP H 2.040 . 2.270 1.918 1.809 2.085 0.001 16 0 "[ . 1 . 2]" 3
140 1 111 GLN O 1 115 ASP N 3.000 2.700 3.400 2.869 2.755 3.032 . 0 0 "[ . 1 . 2]" 3
141 1 112 GLY O 1 116 GLY H 2.040 . 2.270 1.954 1.837 2.200 . 0 0 "[ . 1 . 2]" 3
142 1 112 GLY O 1 116 GLY N 3.000 2.700 3.400 2.882 2.777 3.069 . 0 0 "[ . 1 . 2]" 3
143 1 113 LEU O 1 117 ILE H 2.040 . 2.270 2.130 1.894 2.353 0.083 10 0 "[ . 1 . 2]" 3
144 1 113 LEU O 1 117 ILE N 3.000 2.700 3.400 3.061 2.833 3.242 . 0 0 "[ . 1 . 2]" 3
145 1 114 VAL O 1 118 GLU H 2.040 . 2.270 2.091 1.867 2.356 0.086 10 0 "[ . 1 . 2]" 3
146 1 114 VAL O 1 118 GLU N 3.000 2.700 3.400 3.048 2.830 3.310 . 0 0 "[ . 1 . 2]" 3
147 1 115 ASP O 1 119 LYS H 2.040 . 2.270 2.097 1.999 2.200 . 0 0 "[ . 1 . 2]" 3
148 1 115 ASP O 1 119 LYS N 3.000 2.700 3.400 3.073 2.978 3.177 . 0 0 "[ . 1 . 2]" 3
149 1 116 GLY O 1 120 ALA H 2.040 . 2.270 1.941 1.854 2.016 . 0 0 "[ . 1 . 2]" 3
150 1 116 GLY O 1 120 ALA N 3.000 2.700 3.400 2.877 2.782 2.946 . 0 0 "[ . 1 . 2]" 3
151 1 117 ILE O 1 121 GLY H 2.040 . 2.270 1.848 1.753 1.984 0.057 13 0 "[ . 1 . 2]" 3
152 1 117 ILE O 1 121 GLY N 3.000 2.700 3.400 2.777 2.691 2.911 0.009 11 0 "[ . 1 . 2]" 3
153 1 118 GLU O 1 122 MET H 2.040 . 2.270 2.080 2.018 2.206 . 0 0 "[ . 1 . 2]" 3
154 1 118 GLU O 1 122 MET N 3.000 2.700 3.400 3.032 2.975 3.154 . 0 0 "[ . 1 . 2]" 3
155 1 119 LYS O 1 123 ALA H 2.040 . 2.270 1.855 1.784 1.960 0.026 19 0 "[ . 1 . 2]" 3
156 1 119 LYS O 1 123 ALA N 3.000 2.700 3.400 2.825 2.757 2.920 . 0 0 "[ . 1 . 2]" 3
157 1 120 ALA O 1 124 LEU H 2.040 . 2.270 1.807 1.718 1.897 0.092 13 0 "[ . 1 . 2]" 3
158 1 120 ALA O 1 124 LEU N 3.000 2.700 3.400 2.738 2.654 2.815 0.046 13 0 "[ . 1 . 2]" 3
159 1 121 GLY O 1 125 ALA H 2.040 . 2.270 1.837 1.769 1.886 0.041 20 0 "[ . 1 . 2]" 3
160 1 121 GLY O 1 125 ALA N 3.000 2.700 3.400 2.729 2.655 2.786 0.045 20 0 "[ . 1 . 2]" 3
161 1 122 MET O 1 126 LYS H 2.040 . 2.270 2.446 2.384 2.544 0.274 4 0 "[ . 1 . 2]" 3
162 1 122 MET O 1 126 LYS N 3.000 2.700 3.400 3.279 3.208 3.395 . 0 0 "[ . 1 . 2]" 3
163 1 124 LEU O 1 127 TYR H 2.040 . 2.270 2.247 2.153 2.305 0.035 5 0 "[ . 1 . 2]" 3
164 1 124 LEU O 1 127 TYR N 3.000 2.700 3.400 2.852 2.793 2.918 . 0 0 "[ . 1 . 2]" 3
165 1 124 LEU O 1 128 PHE H 2.040 . 2.270 1.774 1.697 1.889 0.113 2 0 "[ . 1 . 2]" 3
166 1 124 LEU O 1 128 PHE N 3.000 2.700 3.400 2.732 2.670 2.851 0.030 2 0 "[ . 1 . 2]" 3
167 1 131 LYS O 1 134 ASP H 2.040 . 2.270 1.900 1.755 2.070 0.055 2 0 "[ . 1 . 2]" 3
168 1 131 LYS O 1 134 ASP N 3.000 2.700 3.400 2.833 2.703 3.006 . 0 0 "[ . 1 . 2]" 3
169 1 33 VAL O 1 143 SER H 2.040 . 2.270 2.178 1.925 2.327 0.057 17 0 "[ . 1 . 2]" 3
170 1 33 VAL O 1 143 SER N 3.000 2.700 3.400 3.064 2.820 3.272 . 0 0 "[ . 1 . 2]" 3
171 1 35 LEU O 1 145 GLY H 2.040 . 2.270 2.080 1.748 2.406 0.136 15 0 "[ . 1 . 2]" 3
172 1 35 LEU O 1 145 GLY N 3.000 2.700 3.400 3.033 2.707 3.374 . 0 0 "[ . 1 . 2]" 3
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