NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653130 |
6l7k   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6l7k
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 1187
_Distance_constraint_stats_list.Viol_count 3684
_Distance_constraint_stats_list.Viol_total 7259.178
_Distance_constraint_stats_list.Viol_max 0.468
_Distance_constraint_stats_list.Viol_rms 0.0497
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0153
_Distance_constraint_stats_list.Viol_average_violations_only 0.0985
_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 1 ALA 0.445 0.207 1 0 "[ . 1 . 2]"
1 2 PHE 5.297 0.323 13 0 "[ . 1 . 2]"
1 3 ASP 2.282 0.323 13 0 "[ . 1 . 2]"
1 4 SER 1.336 0.228 20 0 "[ . 1 . 2]"
1 5 THR 1.170 0.228 20 0 "[ . 1 . 2]"
1 6 TRP 2.553 0.131 14 0 "[ . 1 . 2]"
1 7 LYS 2.111 0.150 15 0 "[ . 1 . 2]"
1 8 VAL 7.964 0.282 15 0 "[ . 1 . 2]"
1 9 ASP 0.460 0.034 2 0 "[ . 1 . 2]"
1 10 ARG 6.446 0.275 10 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 1.559 0.087 16 0 "[ . 1 . 2]"
1 13 ASN 1.924 0.206 16 0 "[ . 1 . 2]"
1 14 TYR 6.003 0.206 16 0 "[ . 1 . 2]"
1 15 ASP 4.595 0.125 16 0 "[ . 1 . 2]"
1 16 LYS 3.804 0.103 10 0 "[ . 1 . 2]"
1 17 PHE 8.487 0.200 4 0 "[ . 1 . 2]"
1 18 MET 7.065 0.200 4 0 "[ . 1 . 2]"
1 19 GLU 2.771 0.067 3 0 "[ . 1 . 2]"
1 20 LYS 2.956 0.096 12 0 "[ . 1 . 2]"
1 21 MET 4.207 0.258 9 0 "[ . 1 . 2]"
1 22 GLY 0.603 0.039 3 0 "[ . 1 . 2]"
1 23 VAL 0.876 0.099 2 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 9.332 0.399 10 0 "[ . 1 . 2]"
1 26 VAL 11.426 0.399 10 0 "[ . 1 . 2]"
1 27 LYS 2.677 0.103 4 0 "[ . 1 . 2]"
1 28 ARG 0.472 0.071 9 0 "[ . 1 . 2]"
1 29 LYS 1.456 0.090 7 0 "[ . 1 . 2]"
1 30 LEU 11.977 0.468 9 0 "[ . 1 . 2]"
1 31 ALA 10.223 0.468 9 0 "[ . 1 . 2]"
1 32 ALA 0.617 0.101 2 0 "[ . 1 . 2]"
1 33 HIS 0.652 0.101 2 0 "[ . 1 . 2]"
1 34 ASP 0.703 0.128 2 0 "[ . 1 . 2]"
1 35 ASN 1.791 0.128 10 0 "[ . 1 . 2]"
1 36 LEU 6.954 0.282 15 0 "[ . 1 . 2]"
1 37 LYS 0.996 0.076 16 0 "[ . 1 . 2]"
1 38 LEU 0.035 0.035 20 0 "[ . 1 . 2]"
1 39 THR 0.087 0.015 3 0 "[ . 1 . 2]"
1 40 ILE 1.511 0.121 17 0 "[ . 1 . 2]"
1 41 THR 4.544 0.127 9 0 "[ . 1 . 2]"
1 42 GLN 1.860 0.075 12 0 "[ . 1 . 2]"
1 43 GLU 0.257 0.066 8 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASN 1.864 0.104 7 0 "[ . 1 . 2]"
1 46 LYS 12.306 0.457 9 0 "[ . 1 . 2]"
1 47 PHE 8.784 0.457 9 0 "[ . 1 . 2]"
1 48 THR 8.950 0.353 8 0 "[ . 1 . 2]"
1 49 VAL 8.644 0.353 8 0 "[ . 1 . 2]"
1 50 LYS 0.070 0.028 2 0 "[ . 1 . 2]"
1 51 GLU 0.079 0.032 11 0 "[ . 1 . 2]"
1 52 SER 8.299 0.298 20 0 "[ . 1 . 2]"
1 53 SER 7.635 0.298 20 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 PHE 2.998 0.125 14 0 "[ . 1 . 2]"
1 56 ARG 6.342 0.201 10 0 "[ . 1 . 2]"
1 57 ASN 3.356 0.201 10 0 "[ . 1 . 2]"
1 58 ILE 11.698 0.391 8 0 "[ . 1 . 2]"
1 59 GLU 9.861 0.391 8 0 "[ . 1 . 2]"
1 60 CYS 0.070 0.028 2 0 "[ . 1 . 2]"
1 61 VAL 6.199 0.307 15 0 "[ . 1 . 2]"
1 62 PHE 5.734 0.265 16 0 "[ . 1 . 2]"
1 63 GLU 1.297 0.144 10 0 "[ . 1 . 2]"
1 64 LEU 2.982 0.230 8 0 "[ . 1 . 2]"
1 65 GLY 0.252 0.040 12 0 "[ . 1 . 2]"
1 66 VAL 2.208 0.117 3 0 "[ . 1 . 2]"
1 67 THR 10.684 0.351 16 0 "[ . 1 . 2]"
1 68 PHE 9.470 0.360 17 0 "[ . 1 . 2]"
1 69 ASN 5.831 0.360 17 0 "[ . 1 . 2]"
1 70 CYS 1.845 0.108 5 0 "[ . 1 . 2]"
1 71 ASN 1.120 0.084 5 0 "[ . 1 . 2]"
1 72 LEU 0.757 0.058 17 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ASP 0.223 0.038 6 0 "[ . 1 . 2]"
1 75 GLY 0.223 0.038 6 0 "[ . 1 . 2]"
1 76 THR 8.870 0.221 2 0 "[ . 1 . 2]"
1 77 GLU 7.162 0.221 2 0 "[ . 1 . 2]"
1 78 LEU 2.244 0.323 5 0 "[ . 1 . 2]"
1 79 ARG 0.115 0.066 17 0 "[ . 1 . 2]"
1 80 GLY 17.292 0.434 6 0 "[ . 1 . 2]"
1 81 THR 11.484 0.434 6 0 "[ . 1 . 2]"
1 82 TRP 5.295 0.135 20 0 "[ . 1 . 2]"
1 83 SER 3.705 0.207 8 0 "[ . 1 . 2]"
1 84 LEU 9.812 0.239 16 0 "[ . 1 . 2]"
1 85 GLU 6.878 0.231 16 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASN 1.352 0.086 8 0 "[ . 1 . 2]"
1 88 LYS 4.759 0.144 8 0 "[ . 1 . 2]"
1 89 LEU 0.227 0.047 8 0 "[ . 1 . 2]"
1 90 ILE 6.543 0.207 8 0 "[ . 1 . 2]"
1 91 GLY 4.243 0.274 8 0 "[ . 1 . 2]"
1 92 LYS 8.812 0.274 8 0 "[ . 1 . 2]"
1 93 PHE 8.912 0.239 8 0 "[ . 1 . 2]"
1 94 LYS 4.919 0.154 11 0 "[ . 1 . 2]"
1 95 ARG 1.522 0.152 8 0 "[ . 1 . 2]"
1 96 THR 13.904 0.444 19 0 "[ . 1 . 2]"
1 97 ASP 15.262 0.444 19 0 "[ . 1 . 2]"
1 98 ASN 3.930 0.122 12 0 "[ . 1 . 2]"
1 99 GLY 1.487 0.081 20 0 "[ . 1 . 2]"
1 100 ASN 8.739 0.328 12 0 "[ . 1 . 2]"
1 101 GLU 5.678 0.328 12 0 "[ . 1 . 2]"
1 102 LEU 2.300 0.125 16 0 "[ . 1 . 2]"
1 103 ASN 3.698 0.134 1 0 "[ . 1 . 2]"
1 104 THR 5.144 0.133 5 0 "[ . 1 . 2]"
1 105 VAL 2.959 0.102 12 0 "[ . 1 . 2]"
1 106 ARG 1.174 0.098 17 0 "[ . 1 . 2]"
1 107 GLU 1.191 0.089 14 0 "[ . 1 . 2]"
1 108 ILE 7.002 0.211 14 0 "[ . 1 . 2]"
1 109 ILE 4.141 0.211 14 0 "[ . 1 . 2]"
1 110 GLY 2.832 0.182 16 0 "[ . 1 . 2]"
1 111 ASP 4.299 0.127 9 0 "[ . 1 . 2]"
1 112 GLU 4.258 0.124 7 0 "[ . 1 . 2]"
1 113 LEU 2.550 0.109 7 0 "[ . 1 . 2]"
1 114 VAL 2.060 0.107 16 0 "[ . 1 . 2]"
1 115 GLN 1.299 0.066 1 0 "[ . 1 . 2]"
1 116 THR 2.661 0.145 6 0 "[ . 1 . 2]"
1 117 TYR 10.149 0.340 2 0 "[ . 1 . 2]"
1 118 VAL 20.981 0.340 2 0 "[ . 1 . 2]"
1 119 TYR 13.360 0.239 10 0 "[ . 1 . 2]"
1 120 GLU 5.205 0.231 12 0 "[ . 1 . 2]"
1 121 GLY 3.999 0.231 12 0 "[ . 1 . 2]"
1 122 VAL 17.217 0.375 15 0 "[ . 1 . 2]"
1 123 GLU 15.476 0.375 15 0 "[ . 1 . 2]"
1 124 ALA 3.782 0.131 20 0 "[ . 1 . 2]"
1 125 LYS 2.835 0.129 13 0 "[ . 1 . 2]"
1 126 ARG 1.231 0.066 1 0 "[ . 1 . 2]"
1 127 ILE 0.194 0.075 1 0 "[ . 1 . 2]"
1 128 PHE 15.861 0.275 10 0 "[ . 1 . 2]"
1 129 LYS 2.736 0.201 13 0 "[ . 1 . 2]"
1 130 LYS 1.778 0.113 13 0 "[ . 1 . 2]"
1 131 ASP 0.399 0.073 9 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 1 ALA HA 1 2 PHE H 2.900 . 2.900 2.558 2.180 2.980 0.080 14 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 1 2 PHE H 2.900 . 4.400 2.857 1.593 3.742 0.207 1 0 "[ . 1 . 2]" 1
3 1 1 ALA MB 1 3 ASP H 3.500 . 5.000 3.719 2.464 4.231 . 0 0 "[ . 1 . 2]" 1
4 1 2 PHE HA 1 3 ASP H 2.900 . 2.900 2.979 2.716 3.223 0.323 13 0 "[ . 1 . 2]" 1
5 1 2 PHE HA 1 6 TRP HE1 5.000 . 5.000 3.957 3.426 4.562 . 0 0 "[ . 1 . 2]" 1
6 1 2 PHE H 1 2 PHE QB 2.900 . 3.500 2.655 2.103 3.062 . 0 0 "[ . 1 . 2]" 1
7 1 2 PHE QB 1 3 ASP H 3.500 . 4.500 3.749 3.421 3.951 . 0 0 "[ . 1 . 2]" 1
8 1 2 PHE H 1 2 PHE HD1 3.500 . 3.500 3.392 3.097 3.563 0.063 5 0 "[ . 1 . 2]" 1
9 1 113 LEU H 1 128 PHE HD1 5.000 . 5.000 5.071 5.017 5.106 0.106 2 0 "[ . 1 . 2]" 1
10 1 2 PHE HE1 1 129 LYS H 5.000 . 5.000 5.123 5.059 5.201 0.201 13 0 "[ . 1 . 2]" 1
11 1 2 PHE HE1 1 130 LYS H 5.000 . 5.000 4.356 1.962 5.013 0.013 12 0 "[ . 1 . 2]" 1
12 1 2 PHE H 1 3 ASP H 2.900 . 2.900 2.884 2.560 2.986 0.086 5 0 "[ . 1 . 2]" 1
13 1 3 ASP HA 1 4 SER H 2.900 . 2.900 2.418 2.256 2.814 . 0 0 "[ . 1 . 2]" 1
14 1 3 ASP H 1 3 ASP QB 2.900 . 3.500 2.554 2.214 3.030 . 0 0 "[ . 1 . 2]" 1
15 1 2 PHE H 1 108 ILE MG 5.000 . 6.500 3.270 2.800 4.211 . 0 0 "[ . 1 . 2]" 1
16 1 2 PHE H 1 108 ILE MD 5.000 . 6.500 2.580 2.024 4.415 . 0 0 "[ . 1 . 2]" 1
17 1 3 ASP H 1 108 ILE MG 5.000 . 6.500 5.320 5.273 5.378 . 0 0 "[ . 1 . 2]" 1
18 1 3 ASP H 1 108 ILE MD 5.000 . 6.500 4.521 3.711 5.093 . 0 0 "[ . 1 . 2]" 1
19 1 3 ASP QB 1 4 SER H 3.500 . 4.500 3.940 3.722 4.073 . 0 0 "[ . 1 . 2]" 1
20 1 3 ASP H 1 4 SER H 5.000 . 5.000 3.904 3.045 4.294 . 0 0 "[ . 1 . 2]" 1
21 1 4 SER H 1 4 SER HA 2.900 . 2.900 2.831 2.764 2.930 0.030 14 0 "[ . 1 . 2]" 1
22 1 4 SER HA 1 5 THR H 2.900 . 2.900 2.865 2.739 3.128 0.228 20 0 "[ . 1 . 2]" 1
23 1 4 SER QB 1 5 THR H 2.900 . 3.900 2.241 1.735 2.960 0.065 18 0 "[ . 1 . 2]" 1
24 1 4 SER QB 1 6 TRP HE1 3.500 . 4.500 2.742 1.669 3.988 0.131 14 0 "[ . 1 . 2]" 1
25 1 4 SER H 1 40 ILE HB 3.500 . 3.500 3.283 2.852 3.488 . 0 0 "[ . 1 . 2]" 1
26 1 4 SER H 1 40 ILE MD 5.000 . 6.500 3.699 2.290 4.943 . 0 0 "[ . 1 . 2]" 1
27 1 4 SER H 1 40 ILE MG 5.000 . 6.500 4.271 3.792 4.845 . 0 0 "[ . 1 . 2]" 1
28 1 4 SER H 1 40 ILE H 3.500 . 3.500 3.124 2.904 3.280 . 0 0 "[ . 1 . 2]" 1
29 1 4 SER H 1 6 TRP HE1 5.000 . 5.000 2.498 1.758 3.686 0.042 2 0 "[ . 1 . 2]" 1
30 1 5 THR HA 1 40 ILE H 3.500 . 3.500 3.496 3.361 3.530 0.030 18 0 "[ . 1 . 2]" 1
31 1 5 THR HA 1 6 TRP H 2.900 . 2.900 2.247 2.141 2.319 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR HB 1 131 ASP H 5.000 . 5.000 4.134 3.792 4.479 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR H 1 5 THR HB 2.900 . 2.900 2.465 2.361 2.574 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR HB 1 6 TRP H 5.000 . 5.000 4.075 3.840 4.328 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 131 ASP H 3.500 . 5.000 3.746 3.308 3.917 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR H 1 5 THR MG 3.500 . 5.000 3.796 3.739 3.823 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 6 TRP H 2.900 . 4.400 2.316 2.053 2.739 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR H 1 131 ASP H 5.000 . 5.000 4.984 4.869 5.008 0.008 13 0 "[ . 1 . 2]" 1
39 1 5 THR H 1 6 TRP H 5.000 . 5.000 4.603 4.475 4.675 . 0 0 "[ . 1 . 2]" 1
40 1 6 TRP HA 1 130 LYS H 5.000 . 5.000 5.055 5.022 5.113 0.113 13 0 "[ . 1 . 2]" 1
41 1 6 TRP HA 1 131 ASP H 2.900 . 2.900 2.880 2.785 2.903 0.003 6 0 "[ . 1 . 2]" 1
42 1 6 TRP HA 1 7 LYS H 2.900 . 2.900 2.504 2.431 2.569 . 0 0 "[ . 1 . 2]" 1
43 1 6 TRP QB 1 7 LYS H 5.000 . 6.000 2.442 2.340 2.661 . 0 0 "[ . 1 . 2]" 1
44 1 6 TRP HD1 1 40 ILE H 5.000 . 5.000 2.871 2.275 3.614 . 0 0 "[ . 1 . 2]" 1
45 1 6 TRP H 1 6 TRP HD1 3.500 . 3.500 2.704 2.314 3.370 . 0 0 "[ . 1 . 2]" 1
46 1 6 TRP HE1 1 113 LEU QD 5.000 . 7.400 5.193 4.142 5.477 . 0 0 "[ . 1 . 2]" 1
47 1 6 TRP HE1 1 40 ILE MD 3.500 . 5.000 3.386 2.105 4.156 . 0 0 "[ . 1 . 2]" 1
48 1 6 TRP H 1 37 LYS HA 5.000 . 5.000 4.840 4.427 5.026 0.026 13 0 "[ . 1 . 2]" 1
49 1 6 TRP H 1 38 LEU QB 5.000 . 6.000 4.424 3.646 5.169 . 0 0 "[ . 1 . 2]" 1
50 1 6 TRP H 1 38 LEU H 3.500 . 3.500 3.074 2.516 3.329 . 0 0 "[ . 1 . 2]" 1
51 1 6 TRP HE3 1 113 LEU H 5.000 . 5.000 3.976 2.607 4.326 . 0 0 "[ . 1 . 2]" 1
52 1 6 TRP HE3 1 130 LYS H 5.000 . 5.000 2.988 2.663 4.689 . 0 0 "[ . 1 . 2]" 1
53 1 6 TRP HZ3 1 113 LEU H 5.000 . 5.000 4.643 2.003 5.109 0.109 7 0 "[ . 1 . 2]" 1
54 1 82 TRP HZ3 1 106 ARG H 5.000 . 5.000 4.957 3.798 5.059 0.059 7 0 "[ . 1 . 2]" 1
55 1 6 TRP HZ3 1 130 LYS H 5.000 . 5.000 2.749 1.858 5.026 0.026 20 0 "[ . 1 . 2]" 1
56 1 7 LYS HA 1 8 VAL H 2.900 . 2.900 2.211 2.182 2.308 . 0 0 "[ . 1 . 2]" 1
57 1 7 LYS QB 1 129 LYS H 5.000 . 6.000 4.824 4.201 5.065 . 0 0 "[ . 1 . 2]" 1
58 1 7 LYS H 1 7 LYS QB 2.900 . 3.500 3.077 2.694 3.138 . 0 0 "[ . 1 . 2]" 1
59 1 7 LYS QB 1 8 VAL H 2.900 . 3.900 3.208 2.736 3.388 . 0 0 "[ . 1 . 2]" 1
60 1 7 LYS H 1 7 LYS QD 5.000 . 6.000 4.145 3.934 4.667 . 0 0 "[ . 1 . 2]" 1
61 1 7 LYS QD 1 8 VAL H 5.000 . 6.000 5.300 4.892 5.459 . 0 0 "[ . 1 . 2]" 1
62 1 7 LYS H 1 7 LYS QG 3.500 . 4.500 2.538 2.350 3.842 . 0 0 "[ . 1 . 2]" 1
63 1 7 LYS QG 1 8 VAL H 3.500 . 4.500 3.713 3.430 3.922 . 0 0 "[ . 1 . 2]" 1
64 1 7 LYS H 1 128 PHE QB 5.000 . 6.000 2.693 2.342 2.911 . 0 0 "[ . 1 . 2]" 1
65 1 7 LYS H 1 128 PHE HD1 5.000 . 5.000 5.106 5.039 5.150 0.150 15 0 "[ . 1 . 2]" 1
66 1 7 LYS H 1 129 LYS H 3.500 . 3.500 2.201 1.954 2.359 . 0 0 "[ . 1 . 2]" 1
67 1 7 LYS H 1 130 LYS HA 5.000 . 5.000 4.799 4.648 4.957 . 0 0 "[ . 1 . 2]" 1
68 1 7 LYS H 1 131 ASP QB 5.000 . 6.000 4.457 3.566 5.172 . 0 0 "[ . 1 . 2]" 1
69 1 7 LYS H 1 131 ASP H 5.000 . 5.000 4.717 4.566 4.819 . 0 0 "[ . 1 . 2]" 1
70 1 7 LYS H 1 8 VAL H 5.000 . 5.000 4.259 4.171 4.450 . 0 0 "[ . 1 . 2]" 1
71 1 8 VAL HA 1 10 ARG H 3.500 . 3.500 3.463 3.384 3.515 0.015 16 0 "[ . 1 . 2]" 1
72 1 8 VAL HA 1 129 LYS H 5.000 . 5.000 4.435 4.118 4.760 . 0 0 "[ . 1 . 2]" 1
73 1 8 VAL HA 1 9 ASP H 2.900 . 2.900 2.177 2.167 2.194 . 0 0 "[ . 1 . 2]" 1
74 1 8 VAL H 1 8 VAL HB 2.900 . 2.900 2.885 2.792 2.936 0.036 12 0 "[ . 1 . 2]" 1
75 1 8 VAL HB 1 9 ASP H 5.000 . 5.000 4.274 4.232 4.330 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL QG 1 10 ARG H 2.900 . 5.300 2.878 2.617 3.038 . 0 0 "[ . 1 . 2]" 1
77 1 8 VAL QG 1 127 ILE H 3.500 . 5.900 3.576 3.215 3.735 . 0 0 "[ . 1 . 2]" 1
78 1 8 VAL QG 1 36 LEU H 2.900 . 5.300 1.797 1.518 2.823 0.282 15 0 "[ . 1 . 2]" 1
79 1 8 VAL H 1 8 VAL QG 2.900 . 4.600 1.805 1.716 1.902 0.084 18 0 "[ . 1 . 2]" 1
80 1 8 VAL QG 1 9 ASP H 2.900 . 5.300 3.110 3.063 3.145 . 0 0 "[ . 1 . 2]" 1
81 1 8 VAL H 1 128 PHE HD1 3.500 . 3.500 3.703 3.658 3.754 0.254 7 0 "[ . 1 . 2]" 1
82 1 8 VAL H 1 128 PHE HE1 5.000 . 5.000 4.225 3.963 4.575 . 0 0 "[ . 1 . 2]" 1
83 1 8 VAL H 1 36 LEU QB 5.000 . 6.000 5.048 4.276 5.407 . 0 0 "[ . 1 . 2]" 1
84 1 8 VAL H 1 36 LEU H 5.000 . 5.000 4.123 3.820 4.928 . 0 0 "[ . 1 . 2]" 1
85 1 9 ASP HA 1 10 ARG H 3.500 . 3.500 3.523 3.506 3.534 0.034 2 0 "[ . 1 . 2]" 1
86 1 9 ASP QB 1 10 ARG H 2.900 . 3.900 2.783 2.701 2.861 . 0 0 "[ . 1 . 2]" 1
87 1 9 ASP QB 1 129 LYS H 5.000 . 6.000 3.334 2.846 3.742 . 0 0 "[ . 1 . 2]" 1
88 1 9 ASP H 1 9 ASP QB 3.500 . 4.100 2.342 2.235 2.392 . 0 0 "[ . 1 . 2]" 1
89 1 9 ASP H 1 10 ARG H 2.900 . 2.900 2.111 2.038 2.193 . 0 0 "[ . 1 . 2]" 1
90 1 9 ASP H 1 128 PHE HA 3.500 . 3.500 1.976 1.842 2.135 . 0 0 "[ . 1 . 2]" 1
91 1 9 ASP H 1 129 LYS H 5.000 . 5.000 3.744 3.499 3.927 . 0 0 "[ . 1 . 2]" 1
92 1 10 ARG H 1 10 ARG HA 2.900 . 2.900 2.992 2.974 3.008 0.108 9 0 "[ . 1 . 2]" 1
93 1 10 ARG HA 1 11 SER H 2.900 . 2.900 2.488 2.388 2.604 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG H 1 10 ARG QB 2.900 . 3.500 2.899 2.628 3.120 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG QB 1 11 SER H 2.900 . 3.900 2.402 2.219 2.699 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG H 1 10 ARG QD 5.000 . 6.000 4.671 4.183 5.170 . 0 0 "[ . 1 . 2]" 1
97 1 10 ARG QD 1 11 SER H 5.000 . 6.000 4.330 2.556 5.252 . 0 0 "[ . 1 . 2]" 1
98 1 10 ARG H 1 10 ARG QG 2.900 . 3.900 2.971 2.288 3.506 . 0 0 "[ . 1 . 2]" 1
99 1 10 ARG QG 1 11 SER H 5.000 . 6.000 4.061 3.352 4.405 . 0 0 "[ . 1 . 2]" 1
100 1 10 ARG QG 1 127 ILE H 5.000 . 6.000 5.193 3.985 5.476 . 0 0 "[ . 1 . 2]" 1
101 1 10 ARG H 1 11 SER H 5.000 . 5.000 4.472 4.453 4.494 . 0 0 "[ . 1 . 2]" 1
102 1 10 ARG H 1 127 ILE HB 3.500 . 3.500 2.813 2.593 3.120 . 0 0 "[ . 1 . 2]" 1
103 1 10 ARG H 1 127 ILE MD 3.500 . 5.000 3.983 3.900 4.066 . 0 0 "[ . 1 . 2]" 1
104 1 10 ARG H 1 127 ILE MG 3.500 . 5.000 3.826 3.436 4.068 . 0 0 "[ . 1 . 2]" 1
105 1 10 ARG H 1 127 ILE H 3.500 . 3.500 3.355 3.183 3.499 . 0 0 "[ . 1 . 2]" 1
106 1 10 ARG H 1 128 PHE HA 3.500 . 3.500 3.706 3.622 3.775 0.275 10 0 "[ . 1 . 2]" 1
107 1 11 SER HA 1 127 ILE H 3.500 . 3.500 2.693 2.465 3.041 . 0 0 "[ . 1 . 2]" 1
108 1 11 SER HA 1 12 GLU H 2.900 . 2.900 2.585 2.398 2.623 . 0 0 "[ . 1 . 2]" 1
109 1 11 SER H 1 11 SER QB 2.900 . 3.500 2.959 2.856 3.061 . 0 0 "[ . 1 . 2]" 1
110 1 11 SER QB 1 125 LYS H 5.000 . 6.000 4.936 4.121 5.379 . 0 0 "[ . 1 . 2]" 1
111 1 11 SER QB 1 127 ILE H 5.000 . 6.000 3.180 2.772 3.961 . 0 0 "[ . 1 . 2]" 1
112 1 11 SER QB 1 12 GLU H 2.900 . 3.900 2.942 2.150 3.457 . 0 0 "[ . 1 . 2]" 1
113 1 11 SER H 1 12 GLU H 5.000 . 5.000 4.424 4.348 4.443 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLU H 1 12 GLU HA 2.900 . 2.900 2.965 2.936 2.987 0.087 16 0 "[ . 1 . 2]" 1
115 1 12 GLU H 1 12 GLU QB 3.500 . 4.100 3.047 2.802 3.382 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLU QG 1 125 LYS H 2.900 . 3.900 2.642 2.189 3.467 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLU H 1 12 GLU QG 2.900 . 3.900 2.837 2.436 3.426 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLU H 1 124 ALA HA 5.000 . 5.000 4.952 4.787 5.002 0.002 2 0 "[ . 1 . 2]" 1
119 1 12 GLU H 1 124 ALA MB 5.000 . 6.500 4.802 4.478 4.967 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLU H 1 125 LYS QB 3.500 . 4.500 2.800 2.465 3.117 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLU H 1 125 LYS H 2.900 . 2.900 2.862 2.771 2.918 0.018 13 0 "[ . 1 . 2]" 1
122 1 12 GLU H 1 14 TYR QB 5.000 . 6.000 4.038 3.783 4.245 . 0 0 "[ . 1 . 2]" 1
123 1 12 GLU H 1 14 TYR H 5.000 . 5.000 4.743 3.405 5.026 0.026 7 0 "[ . 1 . 2]" 1
124 1 13 ASN HA 1 14 TYR H 3.500 . 3.500 3.386 3.088 3.449 . 0 0 "[ . 1 . 2]" 1
125 1 13 ASN QB 1 124 ALA H 5.000 . 6.000 4.648 4.201 4.976 . 0 0 "[ . 1 . 2]" 1
126 1 13 ASN QB 1 125 LYS H 3.500 . 4.500 3.059 2.766 3.263 . 0 0 "[ . 1 . 2]" 1
127 1 13 ASN QB 1 14 TYR H 5.000 . 6.000 2.048 1.594 3.706 0.206 16 0 "[ . 1 . 2]" 1
128 1 13 ASN HD21 1 123 GLU H 3.500 . 3.500 3.113 2.774 3.471 . 0 0 "[ . 1 . 2]" 1
129 1 13 ASN QD 1 122 VAL QG 3.500 . 6.500 3.100 2.403 3.453 . 0 0 "[ . 1 . 2]" 1
130 1 13 ASN QD 1 124 ALA HA 3.500 . 5.500 3.447 2.131 3.798 . 0 0 "[ . 1 . 2]" 1
131 1 13 ASN QD 1 124 ALA MB 3.500 . 6.500 4.322 2.743 4.610 . 0 0 "[ . 1 . 2]" 1
132 1 13 ASN QD 1 16 LYS QB 3.500 . 6.500 2.915 1.703 3.559 0.097 16 0 "[ . 1 . 2]" 1
133 1 13 ASN QD 1 16 LYS QG 3.500 . 6.500 3.413 1.912 4.002 . 0 0 "[ . 1 . 2]" 1
134 1 13 ASN QD 1 16 LYS QD 3.500 . 6.500 3.919 2.202 5.253 . 0 0 "[ . 1 . 2]" 1
135 1 14 TYR H 1 14 TYR HA 2.900 . 2.900 2.460 2.359 2.933 0.033 10 0 "[ . 1 . 2]" 1
136 1 14 TYR HA 1 16 LYS H 5.000 . 5.000 4.632 4.387 4.986 . 0 0 "[ . 1 . 2]" 1
137 1 14 TYR HA 1 17 PHE H 3.500 . 3.500 3.312 3.182 3.445 . 0 0 "[ . 1 . 2]" 1
138 1 14 TYR HA 1 18 MET H 3.500 . 3.500 3.439 3.292 3.499 . 0 0 "[ . 1 . 2]" 1
139 1 14 TYR H 1 14 TYR QB 2.900 . 3.500 2.890 2.079 3.105 . 0 0 "[ . 1 . 2]" 1
140 1 14 TYR QB 1 16 LYS H 5.000 . 6.000 4.651 4.495 5.072 . 0 0 "[ . 1 . 2]" 1
141 1 14 TYR HD1 1 125 LYS H 5.000 . 5.000 3.770 3.089 4.233 . 0 0 "[ . 1 . 2]" 1
142 1 14 TYR H 1 14 TYR HD1 3.500 . 3.500 3.517 3.011 3.620 0.120 4 0 "[ . 1 . 2]" 1
143 1 14 TYR HD1 1 17 PHE H 5.000 . 5.000 5.104 5.055 5.139 0.139 18 0 "[ . 1 . 2]" 1
144 1 14 TYR HD1 1 18 MET H 5.000 . 5.000 4.870 4.647 5.028 0.028 16 0 "[ . 1 . 2]" 1
145 1 14 TYR H 1 124 ALA MB 3.500 . 5.000 2.584 2.164 3.928 . 0 0 "[ . 1 . 2]" 1
146 1 14 TYR H 1 125 LYS H 5.000 . 5.000 3.631 3.423 4.625 . 0 0 "[ . 1 . 2]" 1
147 1 14 TYR H 1 15 ASP H 3.500 . 3.500 3.432 2.755 3.570 0.070 8 0 "[ . 1 . 2]" 1
148 1 14 TYR H 1 16 LYS H 5.000 . 5.000 4.017 3.768 4.673 . 0 0 "[ . 1 . 2]" 1
149 1 15 ASP HA 1 16 LYS H 3.500 . 3.500 3.589 3.572 3.603 0.103 10 0 "[ . 1 . 2]" 1
150 1 15 ASP HA 1 18 MET H 3.500 . 3.500 3.601 3.575 3.625 0.125 16 0 "[ . 1 . 2]" 1
151 1 15 ASP HA 1 19 GLU H 5.000 . 5.000 3.744 3.587 3.900 . 0 0 "[ . 1 . 2]" 1
152 1 15 ASP H 1 15 ASP QB 3.500 . 4.100 2.514 2.229 2.830 . 0 0 "[ . 1 . 2]" 1
153 1 15 ASP QB 1 16 LYS H 2.900 . 3.900 2.672 2.252 3.396 . 0 0 "[ . 1 . 2]" 1
154 1 15 ASP H 1 16 LYS H 3.500 . 3.500 2.781 2.618 3.022 . 0 0 "[ . 1 . 2]" 1
155 1 16 LYS H 1 16 LYS HA 2.900 . 2.900 2.888 2.840 2.925 0.025 2 0 "[ . 1 . 2]" 1
156 1 16 LYS HA 1 17 PHE H 3.500 . 3.500 3.542 3.526 3.570 0.070 12 0 "[ . 1 . 2]" 1
157 1 16 LYS HA 1 19 GLU H 3.500 . 3.500 3.536 3.509 3.561 0.061 10 0 "[ . 1 . 2]" 1
158 1 16 LYS HA 1 20 LYS H 5.000 . 5.000 4.134 3.908 4.337 . 0 0 "[ . 1 . 2]" 1
159 1 16 LYS H 1 16 LYS QB 2.900 . 3.500 2.608 2.519 2.804 . 0 0 "[ . 1 . 2]" 1
160 1 16 LYS QB 1 17 PHE H 2.900 . 3.900 2.669 2.498 2.789 . 0 0 "[ . 1 . 2]" 1
161 1 16 LYS H 1 16 LYS QD 3.500 . 4.500 3.494 2.405 3.988 . 0 0 "[ . 1 . 2]" 1
162 1 16 LYS QD 1 17 PHE H 5.000 . 6.000 4.821 4.358 5.284 . 0 0 "[ . 1 . 2]" 1
163 1 16 LYS H 1 16 LYS QG 2.900 . 3.900 1.899 1.723 2.105 0.077 4 0 "[ . 1 . 2]" 1
164 1 16 LYS QG 1 17 PHE H 3.500 . 4.500 3.811 3.413 3.962 . 0 0 "[ . 1 . 2]" 1
165 1 17 PHE H 1 17 PHE HA 2.900 . 2.900 2.923 2.911 2.936 0.036 2 0 "[ . 1 . 2]" 1
166 1 17 PHE HA 1 18 MET H 3.500 . 3.500 3.581 3.566 3.597 0.097 12 0 "[ . 1 . 2]" 1
167 1 17 PHE HA 1 20 LYS H 3.500 . 3.500 3.325 3.174 3.449 . 0 0 "[ . 1 . 2]" 1
168 1 17 PHE HA 1 21 MET H 5.000 . 5.000 4.406 4.350 4.440 . 0 0 "[ . 1 . 2]" 1
169 1 17 PHE H 1 17 PHE QB 2.900 . 3.500 2.218 2.163 2.248 . 0 0 "[ . 1 . 2]" 1
170 1 17 PHE QB 1 18 MET H 2.900 . 3.900 2.053 1.879 2.357 . 0 0 "[ . 1 . 2]" 1
171 1 17 PHE HD1 1 119 TYR H 5.000 . 5.000 4.201 4.042 4.363 . 0 0 "[ . 1 . 2]" 1
172 1 17 PHE H 1 17 PHE HD1 5.000 . 5.000 4.719 4.197 5.006 0.006 15 0 "[ . 1 . 2]" 1
173 1 17 PHE HD1 1 18 MET H 5.000 . 5.000 5.154 5.026 5.200 0.200 4 0 "[ . 1 . 2]" 1
174 1 17 PHE HE1 1 119 TYR H 5.000 . 5.000 4.676 3.723 5.057 0.057 12 0 "[ . 1 . 2]" 1
175 1 17 PHE H 1 124 ALA MB 2.900 . 4.400 3.456 3.421 3.496 . 0 0 "[ . 1 . 2]" 1
176 1 17 PHE H 1 18 MET H 2.900 . 2.900 2.759 2.647 2.822 . 0 0 "[ . 1 . 2]" 1
177 1 18 MET H 1 18 MET HA 2.900 . 2.900 2.859 2.824 2.880 . 0 0 "[ . 1 . 2]" 1
178 1 18 MET HA 1 19 GLU H 5.000 . 5.000 3.517 3.487 3.569 . 0 0 "[ . 1 . 2]" 1
179 1 18 MET HA 1 21 MET H 3.500 . 3.500 3.510 3.484 3.542 0.042 1 0 "[ . 1 . 2]" 1
180 1 18 MET HA 1 22 GLY H 5.000 . 5.000 4.967 4.857 5.009 0.009 7 0 "[ . 1 . 2]" 1
181 1 18 MET HA 1 23 VAL H 5.000 . 5.000 4.265 4.080 4.537 . 0 0 "[ . 1 . 2]" 1
182 1 18 MET H 1 18 MET QB 2.900 . 3.500 2.351 2.115 2.578 . 0 0 "[ . 1 . 2]" 1
183 1 18 MET QB 1 19 GLU H 5.000 . 6.000 2.913 2.768 3.034 . 0 0 "[ . 1 . 2]" 1
184 1 18 MET H 1 18 MET ME 3.500 . 5.000 3.874 3.414 4.128 . 0 0 "[ . 1 . 2]" 1
185 1 18 MET H 1 18 MET QG 2.900 . 3.900 2.620 1.873 3.549 . 0 0 "[ . 1 . 2]" 1
186 1 18 MET QG 1 19 GLU H 5.000 . 6.000 4.374 4.010 4.765 . 0 0 "[ . 1 . 2]" 1
187 1 18 MET H 1 122 VAL QG 5.000 . 7.400 4.748 4.614 4.891 . 0 0 "[ . 1 . 2]" 1
188 1 18 MET H 1 124 ALA MB 3.500 . 5.000 4.125 4.078 4.229 . 0 0 "[ . 1 . 2]" 1
189 1 18 MET H 1 19 GLU H 2.900 . 2.900 2.726 2.667 2.856 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLU H 1 19 GLU HA 2.900 . 2.900 2.950 2.921 2.967 0.067 3 0 "[ . 1 . 2]" 1
191 1 19 GLU HA 1 20 LYS H 3.500 . 3.500 3.537 3.495 3.563 0.063 10 0 "[ . 1 . 2]" 1
192 1 19 GLU HA 1 21 MET H 5.000 . 5.000 4.449 4.303 4.612 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLU HA 1 22 GLY H 3.500 . 3.500 3.515 3.497 3.531 0.031 12 0 "[ . 1 . 2]" 1
194 1 19 GLU HA 1 23 VAL H 3.500 . 3.500 3.320 2.800 3.489 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLU H 1 19 GLU QB 2.900 . 3.500 2.294 2.250 2.426 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLU QB 1 20 LYS H 3.500 . 4.500 2.765 2.609 2.957 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLU H 1 19 GLU QG 3.500 . 4.500 3.845 2.409 4.105 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLU QG 1 20 LYS H 3.500 . 4.500 3.738 3.466 4.124 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLU H 1 20 LYS H 2.900 . 2.900 2.441 2.349 2.572 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLU H 1 28 ARG QD 5.000 . 6.000 4.240 3.223 5.346 . 0 0 "[ . 1 . 2]" 1
201 1 20 LYS H 1 20 LYS HA 2.900 . 2.900 2.916 2.890 2.949 0.049 3 0 "[ . 1 . 2]" 1
202 1 20 LYS HA 1 21 MET H 3.500 . 3.500 3.580 3.561 3.596 0.096 12 0 "[ . 1 . 2]" 1
203 1 20 LYS HA 1 22 GLY H 3.500 . 3.500 3.513 3.498 3.539 0.039 3 0 "[ . 1 . 2]" 1
204 1 20 LYS H 1 20 LYS QB 2.900 . 3.500 2.250 2.080 2.429 . 0 0 "[ . 1 . 2]" 1
205 1 20 LYS QB 1 21 MET H 2.900 . 3.900 2.574 2.421 2.751 . 0 0 "[ . 1 . 2]" 1
206 1 20 LYS QD 1 122 VAL H 5.000 . 6.000 4.848 4.630 5.157 . 0 0 "[ . 1 . 2]" 1
207 1 20 LYS H 1 20 LYS QD 3.500 . 4.500 3.780 3.107 4.067 . 0 0 "[ . 1 . 2]" 1
208 1 20 LYS QD 1 21 MET H 5.000 . 6.000 4.902 4.667 4.999 . 0 0 "[ . 1 . 2]" 1
209 1 20 LYS QE 1 122 VAL H 5.000 . 6.000 4.517 3.692 5.327 . 0 0 "[ . 1 . 2]" 1
210 1 20 LYS QG 1 122 VAL H 5.000 . 6.000 4.354 3.929 4.667 . 0 0 "[ . 1 . 2]" 1
211 1 20 LYS QG 1 21 MET H 5.000 . 6.000 4.166 4.053 4.409 . 0 0 "[ . 1 . 2]" 1
212 1 20 LYS H 1 21 MET H 2.900 . 2.900 2.617 2.474 2.728 . 0 0 "[ . 1 . 2]" 1
213 1 21 MET H 1 21 MET HA 2.900 . 2.900 2.906 2.875 2.933 0.033 5 0 "[ . 1 . 2]" 1
214 1 21 MET HA 1 22 GLY H 3.500 . 3.500 3.383 3.338 3.429 . 0 0 "[ . 1 . 2]" 1
215 1 21 MET H 1 21 MET QB 2.900 . 3.500 2.510 2.061 2.982 . 0 0 "[ . 1 . 2]" 1
216 1 21 MET QB 1 22 GLY H 5.000 . 6.000 3.325 3.172 3.513 . 0 0 "[ . 1 . 2]" 1
217 1 21 MET H 1 21 MET ME 3.500 . 5.000 3.970 3.739 4.116 . 0 0 "[ . 1 . 2]" 1
218 1 21 MET H 1 21 MET QG 2.900 . 3.900 2.390 1.542 3.499 0.258 9 0 "[ . 1 . 2]" 1
219 1 21 MET QG 1 22 GLY H 5.000 . 6.000 4.064 2.986 4.638 . 0 0 "[ . 1 . 2]" 1
220 1 21 MET H 1 119 TYR HD1 5.000 . 5.000 4.874 4.469 5.024 0.024 2 0 "[ . 1 . 2]" 1
221 1 21 MET H 1 119 TYR HE1 5.000 . 5.000 5.050 5.032 5.089 0.089 12 0 "[ . 1 . 2]" 1
222 1 21 MET H 1 22 GLY H 2.900 . 2.900 2.633 2.550 2.704 . 0 0 "[ . 1 . 2]" 1
223 1 21 MET H 1 23 VAL QG 3.500 . 5.900 3.537 3.468 3.651 . 0 0 "[ . 1 . 2]" 1
224 1 22 GLY QA 1 23 VAL H 2.900 . 3.900 2.831 2.809 2.876 . 0 0 "[ . 1 . 2]" 1
225 1 22 GLY H 1 23 VAL QG 3.500 . 5.900 3.440 3.258 3.721 . 0 0 "[ . 1 . 2]" 1
226 1 22 GLY H 1 23 VAL H 2.900 . 2.900 2.425 2.279 2.541 . 0 0 "[ . 1 . 2]" 1
227 1 23 VAL H 1 23 VAL HA 2.900 . 2.900 2.944 2.906 2.999 0.099 2 0 "[ . 1 . 2]" 1
228 1 23 VAL HA 1 24 ASN H 2.900 . 2.900 2.224 2.188 2.381 . 0 0 "[ . 1 . 2]" 1
229 1 23 VAL H 1 23 VAL HB 2.900 . 2.900 2.631 2.531 2.798 . 0 0 "[ . 1 . 2]" 1
230 1 23 VAL H 1 23 VAL QG 2.900 . 4.600 1.991 1.865 2.236 . 0 0 "[ . 1 . 2]" 1
231 1 23 VAL QG 1 24 ASN H 3.500 . 5.900 2.540 1.969 2.904 . 0 0 "[ . 1 . 2]" 1
232 1 23 VAL QG 1 28 ARG H 3.500 . 5.900 3.211 2.591 3.757 . 0 0 "[ . 1 . 2]" 1
233 1 24 ASN HA 1 25 ILE H 2.900 . 2.900 2.474 2.364 2.595 . 0 0 "[ . 1 . 2]" 1
234 1 24 ASN HA 1 26 VAL H 5.000 . 5.000 3.857 3.696 3.998 . 0 0 "[ . 1 . 2]" 1
235 1 24 ASN H 1 24 ASN QB 3.500 . 4.100 2.456 2.152 2.875 . 0 0 "[ . 1 . 2]" 1
236 1 24 ASN QB 1 25 ILE H 2.900 . 3.900 2.653 2.220 3.135 . 0 0 "[ . 1 . 2]" 1
237 1 25 ILE H 1 25 ILE HA 2.900 . 2.900 2.963 2.912 2.977 0.077 14 0 "[ . 1 . 2]" 1
238 1 25 ILE HA 1 26 VAL H 2.900 . 2.900 3.271 3.261 3.299 0.399 10 0 "[ . 1 . 2]" 1
239 1 25 ILE HA 1 28 ARG H 5.000 . 5.000 3.407 3.280 3.523 . 0 0 "[ . 1 . 2]" 1
240 1 25 ILE H 1 25 ILE HB 2.900 . 2.900 2.217 2.205 2.246 . 0 0 "[ . 1 . 2]" 1
241 1 25 ILE HB 1 26 VAL H 3.500 . 3.500 3.532 3.471 3.546 0.046 7 0 "[ . 1 . 2]" 1
242 1 25 ILE H 1 25 ILE MD 5.000 . 6.500 4.109 3.904 4.172 . 0 0 "[ . 1 . 2]" 1
243 1 25 ILE H 1 25 ILE HG12 3.500 . 3.500 3.007 2.851 3.064 . 0 0 "[ . 1 . 2]" 1
244 1 25 ILE H 1 25 ILE MG 2.900 . 4.400 3.633 3.623 3.662 . 0 0 "[ . 1 . 2]" 1
245 1 25 ILE MG 1 26 VAL H 2.900 . 4.400 3.649 3.631 3.657 . 0 0 "[ . 1 . 2]" 1
246 1 25 ILE H 1 26 VAL H 3.500 . 3.500 2.436 2.353 2.592 . 0 0 "[ . 1 . 2]" 1
247 1 26 VAL H 1 26 VAL HA 2.900 . 2.900 2.960 2.934 2.973 0.073 5 0 "[ . 1 . 2]" 1
248 1 26 VAL HA 1 27 LYS H 3.500 . 3.500 3.601 3.599 3.603 0.103 4 0 "[ . 1 . 2]" 1
249 1 26 VAL HA 1 29 LYS H 3.500 . 3.500 3.504 3.485 3.521 0.021 14 0 "[ . 1 . 2]" 1
250 1 26 VAL H 1 26 VAL HB 2.900 . 2.900 2.539 2.359 2.745 . 0 0 "[ . 1 . 2]" 1
251 1 26 VAL HB 1 27 LYS H 2.900 . 2.900 2.136 2.091 2.234 . 0 0 "[ . 1 . 2]" 1
252 1 26 VAL H 1 26 VAL QG 2.900 . 4.600 2.165 1.939 2.457 . 0 0 "[ . 1 . 2]" 1
253 1 26 VAL QG 1 27 LYS H 3.500 . 5.900 2.940 2.731 3.033 . 0 0 "[ . 1 . 2]" 1
254 1 26 VAL H 1 27 LYS H 2.900 . 2.900 2.654 2.607 2.738 . 0 0 "[ . 1 . 2]" 1
255 1 27 LYS H 1 27 LYS HA 2.900 . 2.900 2.889 2.863 2.907 0.007 14 0 "[ . 1 . 2]" 1
256 1 27 LYS HA 1 28 ARG H 3.500 . 3.500 3.517 3.464 3.571 0.071 9 0 "[ . 1 . 2]" 1
257 1 27 LYS HA 1 30 LEU H 3.500 . 3.500 3.420 3.346 3.489 . 0 0 "[ . 1 . 2]" 1
258 1 27 LYS H 1 27 LYS QB 2.900 . 3.500 2.321 2.066 2.696 . 0 0 "[ . 1 . 2]" 1
259 1 27 LYS QB 1 28 ARG H 5.000 . 6.000 2.824 2.477 3.030 . 0 0 "[ . 1 . 2]" 1
260 1 27 LYS H 1 27 LYS QD 3.500 . 4.500 2.949 1.715 4.076 0.085 14 0 "[ . 1 . 2]" 1
261 1 27 LYS H 1 27 LYS QG 3.500 . 4.500 2.941 1.791 3.952 0.009 7 0 "[ . 1 . 2]" 1
262 1 27 LYS H 1 28 ARG H 3.500 . 3.500 2.610 2.530 2.735 . 0 0 "[ . 1 . 2]" 1
263 1 28 ARG HA 1 29 LYS H 5.000 . 5.000 3.593 3.541 3.610 . 0 0 "[ . 1 . 2]" 1
264 1 28 ARG HA 1 31 ALA H 5.000 . 5.000 3.251 2.971 3.448 . 0 0 "[ . 1 . 2]" 1
265 1 28 ARG H 1 28 ARG QB 2.900 . 3.500 2.246 2.064 2.286 . 0 0 "[ . 1 . 2]" 1
266 1 28 ARG QB 1 29 LYS H 3.500 . 4.500 2.499 2.299 2.962 . 0 0 "[ . 1 . 2]" 1
267 1 28 ARG H 1 28 ARG QG 3.500 . 4.500 3.946 3.512 4.024 . 0 0 "[ . 1 . 2]" 1
268 1 29 LYS H 1 29 LYS HA 2.900 . 2.900 2.891 2.827 2.941 0.041 11 0 "[ . 1 . 2]" 1
269 1 29 LYS HA 1 30 LEU H 3.500 . 3.500 3.556 3.544 3.590 0.090 7 0 "[ . 1 . 2]" 1
270 1 29 LYS HA 1 31 ALA H 5.000 . 5.000 3.975 3.939 4.113 . 0 0 "[ . 1 . 2]" 1
271 1 29 LYS HA 1 32 ALA H 5.000 . 5.000 3.887 3.618 4.585 . 0 0 "[ . 1 . 2]" 1
272 1 29 LYS QB 1 30 LEU H 2.900 . 3.900 2.685 2.398 2.790 . 0 0 "[ . 1 . 2]" 1
273 1 29 LYS H 1 30 LEU H 3.500 . 3.500 2.657 2.516 2.836 . 0 0 "[ . 1 . 2]" 1
274 1 30 LEU H 1 30 LEU HA 2.900 . 2.900 2.977 2.976 2.979 0.079 14 0 "[ . 1 . 2]" 1
275 1 30 LEU HA 1 31 ALA H 2.900 . 2.900 3.362 3.357 3.368 0.468 9 0 "[ . 1 . 2]" 1
276 1 30 LEU H 1 30 LEU QB 2.900 . 3.500 2.475 2.286 2.756 . 0 0 "[ . 1 . 2]" 1
277 1 30 LEU QB 1 31 ALA H 5.000 . 6.000 3.183 3.109 3.717 . 0 0 "[ . 1 . 2]" 1
278 1 30 LEU H 1 30 LEU QD 3.500 . 5.200 3.069 2.737 3.234 . 0 0 "[ . 1 . 2]" 1
279 1 30 LEU QD 1 31 ALA H 5.000 . 7.400 4.113 2.968 4.337 . 0 0 "[ . 1 . 2]" 1
280 1 30 LEU H 1 30 LEU HG 2.900 . 2.900 2.387 1.771 2.914 0.029 7 0 "[ . 1 . 2]" 1
281 1 30 LEU HG 1 31 ALA H 5.000 . 5.000 4.185 2.500 4.635 . 0 0 "[ . 1 . 2]" 1
282 1 30 LEU H 1 31 ALA H 2.900 . 2.900 2.282 2.265 2.301 . 0 0 "[ . 1 . 2]" 1
283 1 31 ALA H 1 31 ALA HA 2.900 . 2.900 2.945 2.837 2.977 0.077 9 0 "[ . 1 . 2]" 1
284 1 31 ALA H 1 31 ALA MB 2.900 . 4.000 2.177 2.087 2.285 . 0 0 "[ . 1 . 2]" 1
285 1 31 ALA MB 1 32 ALA H 3.500 . 5.000 2.515 2.322 2.893 . 0 0 "[ . 1 . 2]" 1
286 1 31 ALA H 1 32 ALA H 5.000 . 5.000 2.548 2.349 2.957 . 0 0 "[ . 1 . 2]" 1
287 1 32 ALA H 1 32 ALA HA 2.900 . 2.900 2.803 2.766 2.927 0.027 10 0 "[ . 1 . 2]" 1
288 1 32 ALA HA 1 33 HIS H 3.500 . 3.500 3.509 3.332 3.601 0.101 2 0 "[ . 1 . 2]" 1
289 1 32 ALA H 1 32 ALA MB 2.900 . 4.000 2.265 2.189 2.281 . 0 0 "[ . 1 . 2]" 1
290 1 32 ALA MB 1 33 HIS H 3.500 . 5.000 2.748 2.084 3.257 . 0 0 "[ . 1 . 2]" 1
291 1 33 HIS HA 1 34 ASP H 2.900 . 2.900 2.835 2.772 2.926 0.026 13 0 "[ . 1 . 2]" 1
292 1 33 HIS H 1 33 HIS QB 3.500 . 4.100 2.371 2.095 2.791 . 0 0 "[ . 1 . 2]" 1
293 1 33 HIS QB 1 34 ASP H 5.000 . 6.000 3.892 3.819 3.986 . 0 0 "[ . 1 . 2]" 1
294 1 34 ASP H 1 34 ASP HA 2.900 . 2.900 2.890 2.785 3.028 0.128 2 0 "[ . 1 . 2]" 1
295 1 34 ASP HA 1 35 ASN H 3.500 . 3.500 2.323 2.173 2.877 . 0 0 "[ . 1 . 2]" 1
296 1 34 ASP H 1 34 ASP QB 2.900 . 3.500 2.543 2.137 2.952 . 0 0 "[ . 1 . 2]" 1
297 1 34 ASP QB 1 35 ASN H 5.000 . 6.000 3.750 3.120 4.080 . 0 0 "[ . 1 . 2]" 1
298 1 35 ASN H 1 35 ASN HA 2.900 . 2.900 2.988 2.928 3.028 0.128 10 0 "[ . 1 . 2]" 1
299 1 35 ASN HA 1 36 LEU H 2.900 . 2.900 2.822 2.786 2.839 . 0 0 "[ . 1 . 2]" 1
300 1 35 ASN H 1 35 ASN QB 3.500 . 4.100 2.750 2.473 3.091 . 0 0 "[ . 1 . 2]" 1
301 1 35 ASN QB 1 36 LEU H 5.000 . 6.000 3.942 3.883 4.103 . 0 0 "[ . 1 . 2]" 1
302 1 35 ASN H 1 36 LEU H 3.500 . 3.500 2.679 2.481 3.379 . 0 0 "[ . 1 . 2]" 1
303 1 36 LEU H 1 36 LEU HA 2.900 . 2.900 2.936 2.756 3.003 0.103 20 0 "[ . 1 . 2]" 1
304 1 36 LEU HA 1 37 LYS H 2.900 . 2.900 2.396 2.262 2.534 . 0 0 "[ . 1 . 2]" 1
305 1 36 LEU H 1 36 LEU QB 2.900 . 3.500 2.483 2.047 2.728 . 0 0 "[ . 1 . 2]" 1
306 1 36 LEU QB 1 37 LYS H 3.500 . 4.500 2.530 2.201 3.192 . 0 0 "[ . 1 . 2]" 1
307 1 36 LEU H 1 36 LEU QD 3.500 . 5.200 2.023 1.567 3.488 0.233 19 0 "[ . 1 . 2]" 1
308 1 36 LEU QD 1 37 LYS H 2.900 . 5.300 3.118 2.115 3.512 . 0 0 "[ . 1 . 2]" 1
309 1 36 LEU QD 1 52 SER H 2.900 . 5.300 2.710 2.372 2.887 . 0 0 "[ . 1 . 2]" 1
310 1 36 LEU QD 1 53 SER H 5.000 . 7.400 4.564 4.139 4.795 . 0 0 "[ . 1 . 2]" 1
311 1 36 LEU H 1 36 LEU HG 3.500 . 3.500 2.956 2.479 3.542 0.042 16 0 "[ . 1 . 2]" 1
312 1 36 LEU HG 1 37 LYS H 3.500 . 3.500 3.535 3.284 3.576 0.076 16 0 "[ . 1 . 2]" 1
313 1 36 LEU H 1 37 LYS H 5.000 . 5.000 4.652 4.576 4.711 . 0 0 "[ . 1 . 2]" 1
314 1 37 LYS HA 1 38 LEU H 2.900 . 2.900 2.297 2.233 2.344 . 0 0 "[ . 1 . 2]" 1
315 1 37 LYS H 1 37 LYS QB 2.900 . 3.500 2.382 2.258 2.505 . 0 0 "[ . 1 . 2]" 1
316 1 37 LYS QB 1 38 LEU H 2.900 . 3.900 3.246 2.788 3.568 . 0 0 "[ . 1 . 2]" 1
317 1 37 LYS QB 1 52 SER H 3.500 . 4.500 3.951 3.773 4.102 . 0 0 "[ . 1 . 2]" 1
318 1 37 LYS H 1 37 LYS QD 5.000 . 6.000 4.609 3.932 5.074 . 0 0 "[ . 1 . 2]" 1
319 1 37 LYS QD 1 38 LEU H 5.000 . 6.000 4.460 4.012 5.078 . 0 0 "[ . 1 . 2]" 1
320 1 37 LYS H 1 37 LYS QG 3.500 . 4.500 3.730 2.749 4.127 . 0 0 "[ . 1 . 2]" 1
321 1 37 LYS QG 1 38 LEU H 5.000 . 6.000 2.886 2.066 4.054 . 0 0 "[ . 1 . 2]" 1
322 1 37 LYS H 1 38 LEU H 5.000 . 5.000 4.564 4.510 4.600 . 0 0 "[ . 1 . 2]" 1
323 1 37 LYS H 1 52 SER QB 5.000 . 6.000 3.573 3.228 4.535 . 0 0 "[ . 1 . 2]" 1
324 1 37 LYS H 1 52 SER H 3.500 . 3.500 3.390 3.062 3.497 . 0 0 "[ . 1 . 2]" 1
325 1 37 LYS H 1 53 SER HA 5.000 . 5.000 3.093 2.673 3.641 . 0 0 "[ . 1 . 2]" 1
326 1 37 LYS H 1 53 SER QB 5.000 . 6.000 3.692 2.983 4.076 . 0 0 "[ . 1 . 2]" 1
327 1 38 LEU HA 1 39 THR H 2.900 . 2.900 2.207 2.162 2.308 . 0 0 "[ . 1 . 2]" 1
328 1 38 LEU HA 1 52 SER H 3.500 . 3.500 3.232 2.953 3.472 . 0 0 "[ . 1 . 2]" 1
329 1 53 SER H 1 57 ASN HA 3.500 . 3.500 2.302 2.120 2.437 . 0 0 "[ . 1 . 2]" 1
330 1 38 LEU H 1 38 LEU QB 2.900 . 3.500 2.971 2.780 3.232 . 0 0 "[ . 1 . 2]" 1
331 1 38 LEU QB 1 39 THR H 3.500 . 4.500 3.146 2.698 3.378 . 0 0 "[ . 1 . 2]" 1
332 1 38 LEU QD 1 39 THR H 3.500 . 5.900 4.295 3.846 4.475 . 0 0 "[ . 1 . 2]" 1
333 1 38 LEU QD 1 52 SER H 5.000 . 7.400 3.996 3.802 4.446 . 0 0 "[ . 1 . 2]" 1
334 1 38 LEU H 1 38 LEU HG 3.500 . 3.500 3.229 2.457 3.535 0.035 20 0 "[ . 1 . 2]" 1
335 1 38 LEU HG 1 39 THR H 5.000 . 5.000 4.482 3.864 4.827 . 0 0 "[ . 1 . 2]" 1
336 1 39 THR HA 1 40 ILE H 2.900 . 2.900 2.216 2.199 2.283 . 0 0 "[ . 1 . 2]" 1
337 1 39 THR H 1 39 THR HB 2.900 . 2.900 2.776 2.370 2.915 0.015 3 0 "[ . 1 . 2]" 1
338 1 39 THR HB 1 40 ILE H 5.000 . 5.000 4.209 3.793 4.480 . 0 0 "[ . 1 . 2]" 1
339 1 39 THR HB 1 50 LYS H 3.500 . 3.500 3.072 2.618 3.490 . 0 0 "[ . 1 . 2]" 1
340 1 39 THR H 1 39 THR MG 3.500 . 5.000 3.852 3.717 3.906 . 0 0 "[ . 1 . 2]" 1
341 1 39 THR MG 1 40 ILE H 2.900 . 4.400 3.072 2.367 3.353 . 0 0 "[ . 1 . 2]" 1
342 1 39 THR H 1 40 ILE H 5.000 . 5.000 4.365 4.233 4.592 . 0 0 "[ . 1 . 2]" 1
343 1 39 THR H 1 50 LYS QB 5.000 . 6.000 2.921 2.650 3.260 . 0 0 "[ . 1 . 2]" 1
344 1 39 THR H 1 50 LYS H 3.500 . 3.500 3.028 2.454 3.481 . 0 0 "[ . 1 . 2]" 1
345 1 39 THR H 1 51 GLU HA 3.500 . 3.500 3.487 3.320 3.512 0.012 16 0 "[ . 1 . 2]" 1
346 1 40 ILE HA 1 41 THR H 2.900 . 2.900 2.168 2.145 2.201 . 0 0 "[ . 1 . 2]" 1
347 1 40 ILE H 1 40 ILE HB 2.900 . 2.900 2.642 2.410 2.972 0.072 20 0 "[ . 1 . 2]" 1
348 1 40 ILE HB 1 41 THR H 5.000 . 5.000 4.162 3.906 4.364 . 0 0 "[ . 1 . 2]" 1
349 1 40 ILE H 1 40 ILE MD 5.000 . 6.500 2.055 1.679 3.790 0.121 17 0 "[ . 1 . 2]" 1
350 1 40 ILE MD 1 41 THR H 5.000 . 6.500 4.904 4.766 5.161 . 0 0 "[ . 1 . 2]" 1
351 1 40 ILE H 1 40 ILE HG12 5.000 . 5.000 4.041 3.594 4.615 . 0 0 "[ . 1 . 2]" 1
352 1 40 ILE H 1 40 ILE HG13 3.500 . 3.500 3.247 2.337 3.601 0.101 19 0 "[ . 1 . 2]" 1
353 1 40 ILE HG13 1 41 THR H 5.000 . 5.000 4.465 4.147 4.868 . 0 0 "[ . 1 . 2]" 1
354 1 40 ILE MG 1 41 THR H 2.900 . 4.400 2.701 2.181 3.011 . 0 0 "[ . 1 . 2]" 1
355 1 40 ILE MG 1 48 THR H 5.000 . 6.500 3.814 3.200 4.104 . 0 0 "[ . 1 . 2]" 1
356 1 41 THR H 1 41 THR HA 2.900 . 2.900 3.022 3.014 3.027 0.127 9 0 "[ . 1 . 2]" 1
357 1 41 THR HA 1 42 GLN H 2.900 . 2.900 2.348 2.330 2.367 . 0 0 "[ . 1 . 2]" 1
358 1 41 THR H 1 41 THR HB 2.900 . 2.900 2.945 2.917 2.982 0.082 1 0 "[ . 1 . 2]" 1
359 1 41 THR HB 1 42 GLN H 3.500 . 3.500 3.552 3.534 3.575 0.075 12 0 "[ . 1 . 2]" 1
360 1 41 THR HB 1 48 THR H 3.500 . 3.500 3.415 3.053 3.515 0.015 6 0 "[ . 1 . 2]" 1
361 1 41 THR H 1 41 THR MG 3.500 . 5.000 3.945 3.905 3.982 . 0 0 "[ . 1 . 2]" 1
362 1 41 THR MG 1 42 GLN H 2.900 . 4.400 2.176 2.054 2.220 . 0 0 "[ . 1 . 2]" 1
363 1 41 THR MG 1 48 THR H 5.000 . 6.500 4.729 4.443 4.815 . 0 0 "[ . 1 . 2]" 1
364 1 41 THR H 1 42 GLN H 5.000 . 5.000 4.511 4.461 4.551 . 0 0 "[ . 1 . 2]" 1
365 1 41 THR H 1 48 THR HB 3.500 . 3.500 3.496 3.461 3.540 0.040 10 0 "[ . 1 . 2]" 1
366 1 41 THR H 1 48 THR H 2.900 . 2.900 2.838 2.581 2.917 0.017 18 0 "[ . 1 . 2]" 1
367 1 41 THR H 1 49 VAL HA 3.500 . 3.500 3.290 3.056 3.461 . 0 0 "[ . 1 . 2]" 1
368 1 41 THR H 1 49 VAL QG 3.500 . 5.900 3.727 3.424 4.479 . 0 0 "[ . 1 . 2]" 1
369 1 42 GLN HA 1 43 GLU H 2.900 . 2.900 2.272 2.221 2.311 . 0 0 "[ . 1 . 2]" 1
370 1 42 GLN HA 1 46 LYS H 5.000 . 5.000 4.874 4.750 4.945 . 0 0 "[ . 1 . 2]" 1
371 1 42 GLN HA 1 48 THR H 3.500 . 3.500 3.541 3.515 3.564 0.064 3 0 "[ . 1 . 2]" 1
372 1 42 GLN H 1 42 GLN QB 3.500 . 4.100 2.766 2.509 3.102 . 0 0 "[ . 1 . 2]" 1
373 1 42 GLN QB 1 43 GLU H 3.500 . 4.500 3.265 2.783 3.729 . 0 0 "[ . 1 . 2]" 1
374 1 42 GLN QG 1 43 GLU H 3.500 . 4.500 2.993 2.070 4.039 . 0 0 "[ . 1 . 2]" 1
375 1 43 GLU HA 1 44 GLY H 2.900 . 2.900 2.397 2.393 2.401 . 0 0 "[ . 1 . 2]" 1
376 1 43 GLU H 1 43 GLU QB 2.900 . 3.500 2.732 2.514 2.903 . 0 0 "[ . 1 . 2]" 1
377 1 43 GLU QB 1 46 LYS H 5.000 . 6.000 3.208 2.939 3.496 . 0 0 "[ . 1 . 2]" 1
378 1 43 GLU H 1 43 GLU QG 3.500 . 4.500 3.208 2.587 3.685 . 0 0 "[ . 1 . 2]" 1
379 1 43 GLU QG 1 46 LYS H 5.000 . 6.000 4.890 4.319 5.357 . 0 0 "[ . 1 . 2]" 1
380 1 43 GLU H 1 46 LYS QB 5.000 . 6.000 4.134 3.680 5.066 . 0 0 "[ . 1 . 2]" 1
381 1 43 GLU H 1 46 LYS H 2.900 . 2.900 2.900 2.805 2.966 0.066 8 0 "[ . 1 . 2]" 1
382 1 43 GLU H 1 47 PHE HA 3.500 . 3.500 2.886 2.680 3.027 . 0 0 "[ . 1 . 2]" 1
383 1 44 GLY QA 1 45 ASN H 2.900 . 3.900 2.308 2.243 2.372 . 0 0 "[ . 1 . 2]" 1
384 1 44 GLY QA 1 46 LYS H 3.500 . 4.500 3.847 3.756 3.912 . 0 0 "[ . 1 . 2]" 1
385 1 45 ASN HA 1 46 LYS H 2.900 . 2.900 2.993 2.982 3.004 0.104 7 0 "[ . 1 . 2]" 1
386 1 45 ASN HA 1 64 LEU H 5.000 . 5.000 3.987 3.382 4.768 . 0 0 "[ . 1 . 2]" 1
387 1 45 ASN H 1 45 ASN QB 3.500 . 4.100 2.992 2.500 3.210 . 0 0 "[ . 1 . 2]" 1
388 1 45 ASN QB 1 46 LYS H 5.000 . 6.000 3.930 3.776 4.058 . 0 0 "[ . 1 . 2]" 1
389 1 45 ASN QB 1 64 LEU H 3.500 . 4.500 3.788 3.321 4.079 . 0 0 "[ . 1 . 2]" 1
390 1 45 ASN H 1 46 LYS H 2.900 . 2.900 2.521 2.411 2.641 . 0 0 "[ . 1 . 2]" 1
391 1 46 LYS H 1 46 LYS HA 2.900 . 2.900 2.983 2.970 2.998 0.098 9 0 "[ . 1 . 2]" 1
392 1 46 LYS HA 1 47 PHE H 2.900 . 2.900 2.137 2.096 2.154 . 0 0 "[ . 1 . 2]" 1
393 1 46 LYS HA 1 64 LEU H 5.000 . 5.000 4.716 4.315 4.995 . 0 0 "[ . 1 . 2]" 1
394 1 46 LYS H 1 46 LYS QB 2.900 . 3.500 2.722 2.589 3.138 . 0 0 "[ . 1 . 2]" 1
395 1 46 LYS QB 1 47 PHE H 3.500 . 4.500 3.716 3.500 3.926 . 0 0 "[ . 1 . 2]" 1
396 1 46 LYS H 1 46 LYS QD 3.500 . 4.500 3.753 3.163 4.077 . 0 0 "[ . 1 . 2]" 1
397 1 46 LYS QD 1 47 PHE H 5.000 . 6.000 4.882 4.181 5.546 . 0 0 "[ . 1 . 2]" 1
398 1 46 LYS H 1 46 LYS QG 3.500 . 4.500 3.827 2.357 4.171 . 0 0 "[ . 1 . 2]" 1
399 1 46 LYS QG 1 47 PHE H 3.500 . 4.500 3.519 2.930 4.021 . 0 0 "[ . 1 . 2]" 1
400 1 46 LYS H 1 47 PHE H 3.500 . 3.500 3.915 3.876 3.957 0.457 9 0 "[ . 1 . 2]" 1
401 1 46 LYS H 1 63 GLU HA 5.000 . 5.000 4.687 4.236 5.060 0.060 11 0 "[ . 1 . 2]" 1
402 1 46 LYS H 1 63 GLU QG 5.000 . 6.000 4.772 4.285 5.073 . 0 0 "[ . 1 . 2]" 1
403 1 47 PHE HA 1 48 THR H 2.900 . 2.900 2.504 2.398 2.545 . 0 0 "[ . 1 . 2]" 1
404 1 47 PHE H 1 47 PHE QB 3.500 . 4.100 2.433 2.158 3.087 . 0 0 "[ . 1 . 2]" 1
405 1 47 PHE QB 1 48 THR H 3.500 . 4.500 2.343 2.203 2.608 . 0 0 "[ . 1 . 2]" 1
406 1 47 PHE H 1 47 PHE HD1 3.500 . 3.500 2.643 2.033 3.253 . 0 0 "[ . 1 . 2]" 1
407 1 47 PHE H 1 61 VAL HA 5.000 . 5.000 4.868 4.714 5.005 0.005 3 0 "[ . 1 . 2]" 1
408 1 47 PHE H 1 62 PHE H 2.900 . 2.900 2.901 2.810 2.978 0.078 20 0 "[ . 1 . 2]" 1
409 1 47 PHE H 1 63 GLU HA 3.500 . 3.500 3.173 2.718 3.522 0.022 8 0 "[ . 1 . 2]" 1
410 1 48 THR HA 1 49 VAL H 2.900 . 2.900 2.197 2.179 2.212 . 0 0 "[ . 1 . 2]" 1
411 1 48 THR HA 1 60 CYS H 5.000 . 5.000 4.466 4.293 4.669 . 0 0 "[ . 1 . 2]" 1
412 1 48 THR HA 1 62 PHE H 3.500 . 3.500 3.565 3.338 3.658 0.158 7 0 "[ . 1 . 2]" 1
413 1 48 THR H 1 48 THR HB 2.900 . 2.900 2.937 2.870 2.975 0.075 18 0 "[ . 1 . 2]" 1
414 1 48 THR HB 1 49 VAL H 5.000 . 5.000 4.407 4.343 4.440 . 0 0 "[ . 1 . 2]" 1
415 1 48 THR H 1 48 THR MG 3.500 . 5.000 3.986 3.946 4.016 . 0 0 "[ . 1 . 2]" 1
416 1 48 THR MG 1 49 VAL H 2.900 . 4.400 3.265 3.242 3.296 . 0 0 "[ . 1 . 2]" 1
417 1 48 THR H 1 49 VAL HA 5.000 . 5.000 4.402 4.377 4.452 . 0 0 "[ . 1 . 2]" 1
418 1 48 THR H 1 49 VAL H 3.500 . 3.500 3.787 3.760 3.853 0.353 8 0 "[ . 1 . 2]" 1
419 1 49 VAL H 1 49 VAL HA 2.900 . 2.900 3.007 2.989 3.021 0.121 6 0 "[ . 1 . 2]" 1
420 1 49 VAL HA 1 50 LYS H 2.900 . 2.900 2.197 2.176 2.261 . 0 0 "[ . 1 . 2]" 1
421 1 49 VAL H 1 49 VAL HB 3.500 . 3.500 2.639 2.403 3.247 . 0 0 "[ . 1 . 2]" 1
422 1 49 VAL H 1 49 VAL QG 2.900 . 4.600 2.260 1.882 2.543 . 0 0 "[ . 1 . 2]" 1
423 1 49 VAL QG 1 50 LYS H 2.900 . 5.300 2.881 2.359 3.082 . 0 0 "[ . 1 . 2]" 1
424 1 49 VAL QG 1 60 CYS H 5.000 . 7.400 3.771 2.367 4.201 . 0 0 "[ . 1 . 2]" 1
425 1 51 GLU H 1 58 ILE H 3.500 . 3.500 3.348 3.231 3.457 . 0 0 "[ . 1 . 2]" 1
426 1 49 VAL H 1 59 GLU HA 5.000 . 5.000 5.038 5.015 5.074 0.074 2 0 "[ . 1 . 2]" 1
427 1 49 VAL H 1 60 CYS H 3.500 . 3.500 3.254 3.138 3.398 . 0 0 "[ . 1 . 2]" 1
428 1 49 VAL H 1 62 PHE H 5.000 . 5.000 4.711 4.209 4.996 . 0 0 "[ . 1 . 2]" 1
429 1 50 LYS HA 1 51 GLU H 2.900 . 2.900 2.246 2.240 2.258 . 0 0 "[ . 1 . 2]" 1
430 1 50 LYS HA 1 60 CYS H 3.500 . 3.500 3.492 3.421 3.528 0.028 2 0 "[ . 1 . 2]" 1
431 1 50 LYS H 1 50 LYS QB 3.500 . 4.100 2.419 2.250 2.729 . 0 0 "[ . 1 . 2]" 1
432 1 50 LYS QB 1 51 GLU H 5.000 . 6.000 3.928 3.671 4.023 . 0 0 "[ . 1 . 2]" 1
433 1 50 LYS H 1 50 LYS QD 5.000 . 6.000 4.554 4.040 5.006 . 0 0 "[ . 1 . 2]" 1
434 1 50 LYS QG 1 51 GLU H 5.000 . 6.000 3.567 3.312 4.539 . 0 0 "[ . 1 . 2]" 1
435 1 51 GLU HA 1 52 SER H 2.900 . 2.900 2.380 2.342 2.413 . 0 0 "[ . 1 . 2]" 1
436 1 51 GLU H 1 51 GLU QB 3.500 . 4.100 2.370 2.180 2.502 . 0 0 "[ . 1 . 2]" 1
437 1 51 GLU QB 1 52 SER H 3.500 . 4.500 2.753 2.557 3.456 . 0 0 "[ . 1 . 2]" 1
438 1 51 GLU QG 1 52 SER H 3.500 . 4.500 3.569 1.768 4.036 0.032 11 0 "[ . 1 . 2]" 1
439 1 51 GLU H 1 58 ILE HB 5.000 . 5.000 3.537 3.378 3.654 . 0 0 "[ . 1 . 2]" 1
440 1 51 GLU H 1 58 ILE MD 5.000 . 6.500 5.349 5.177 5.375 . 0 0 "[ . 1 . 2]" 1
441 1 51 GLU H 1 58 ILE HG13 5.000 . 5.000 4.863 4.649 4.988 . 0 0 "[ . 1 . 2]" 1
442 1 51 GLU H 1 58 ILE MG 5.000 . 6.500 4.641 4.555 4.725 . 0 0 "[ . 1 . 2]" 1
443 1 52 SER H 1 52 SER HA 2.900 . 2.900 2.953 2.945 2.970 0.070 2 0 "[ . 1 . 2]" 1
444 1 52 SER HA 1 53 SER H 2.900 . 2.900 2.133 2.115 2.139 . 0 0 "[ . 1 . 2]" 1
445 1 52 SER HA 1 56 ARG H 5.000 . 5.000 5.092 5.060 5.124 0.124 18 0 "[ . 1 . 2]" 1
446 1 52 SER HA 1 58 ILE H 3.500 . 3.500 3.348 3.217 3.487 . 0 0 "[ . 1 . 2]" 1
447 1 52 SER H 1 52 SER QB 2.900 . 3.500 3.072 3.036 3.249 . 0 0 "[ . 1 . 2]" 1
448 1 52 SER QB 1 53 SER H 2.900 . 3.900 3.547 3.542 3.562 . 0 0 "[ . 1 . 2]" 1
449 1 52 SER H 1 53 SER H 3.500 . 3.500 3.769 3.752 3.798 0.298 20 0 "[ . 1 . 2]" 1
450 1 53 SER H 1 53 SER HA 2.900 . 2.900 3.013 2.998 3.023 0.123 18 0 "[ . 1 . 2]" 1
451 1 53 SER HA 1 54 ALA H 3.500 . 3.500 2.310 2.273 2.823 . 0 0 "[ . 1 . 2]" 1
452 1 53 SER HA 1 55 PHE H 5.000 . 5.000 3.646 3.582 4.259 . 0 0 "[ . 1 . 2]" 1
453 1 53 SER H 1 53 SER QB 3.500 . 4.100 2.796 2.435 3.235 . 0 0 "[ . 1 . 2]" 1
454 1 53 SER QB 1 54 ALA H 5.000 . 6.000 3.146 2.082 3.510 . 0 0 "[ . 1 . 2]" 1
455 1 53 SER QB 1 55 PHE H 5.000 . 6.000 2.607 2.049 3.204 . 0 0 "[ . 1 . 2]" 1
456 1 53 SER QB 1 56 ARG H 5.000 . 6.000 3.206 2.513 3.846 . 0 0 "[ . 1 . 2]" 1
457 1 53 SER H 1 55 PHE H 5.000 . 5.000 3.807 3.760 3.937 . 0 0 "[ . 1 . 2]" 1
458 1 53 SER H 1 56 ARG H 3.500 . 3.500 3.203 3.168 3.418 . 0 0 "[ . 1 . 2]" 1
459 1 54 ALA HA 1 55 PHE H 3.500 . 3.500 3.239 3.233 3.248 . 0 0 "[ . 1 . 2]" 1
460 1 54 ALA H 1 54 ALA MB 2.900 . 4.000 2.263 2.255 2.345 . 0 0 "[ . 1 . 2]" 1
461 1 54 ALA MB 1 55 PHE H 2.900 . 4.400 3.403 3.390 3.421 . 0 0 "[ . 1 . 2]" 1
462 1 54 ALA MB 1 56 ARG H 5.000 . 6.500 4.910 4.862 5.026 . 0 0 "[ . 1 . 2]" 1
463 1 54 ALA H 1 55 PHE H 5.000 . 5.000 2.881 2.430 2.935 . 0 0 "[ . 1 . 2]" 1
464 1 55 PHE H 1 55 PHE HA 2.900 . 2.900 3.021 3.014 3.025 0.125 14 0 "[ . 1 . 2]" 1
465 1 55 PHE HA 1 56 ARG H 3.500 . 3.500 3.526 3.470 3.577 0.077 19 0 "[ . 1 . 2]" 1
466 1 55 PHE H 1 55 PHE QB 2.900 . 3.500 2.532 2.352 2.878 . 0 0 "[ . 1 . 2]" 1
467 1 55 PHE QB 1 56 ARG H 2.900 . 3.900 3.034 2.847 3.294 . 0 0 "[ . 1 . 2]" 1
468 1 55 PHE H 1 55 PHE HD1 5.000 . 5.000 3.764 2.397 4.906 . 0 0 "[ . 1 . 2]" 1
469 1 55 PHE HD1 1 56 ARG H 5.000 . 5.000 4.511 3.969 5.027 0.027 15 0 "[ . 1 . 2]" 1
470 1 55 PHE H 1 56 ARG H 2.900 . 2.900 2.072 1.963 2.138 . 0 0 "[ . 1 . 2]" 1
471 1 56 ARG H 1 56 ARG HA 2.900 . 2.900 2.798 2.771 2.870 . 0 0 "[ . 1 . 2]" 1
472 1 56 ARG HA 1 57 ASN H 2.900 . 2.900 2.320 2.285 2.385 . 0 0 "[ . 1 . 2]" 1
473 1 56 ARG H 1 56 ARG QB 3.500 . 4.100 3.288 2.998 3.567 . 0 0 "[ . 1 . 2]" 1
474 1 56 ARG QB 1 57 ASN H 5.000 . 6.000 3.865 3.773 4.077 . 0 0 "[ . 1 . 2]" 1
475 1 56 ARG H 1 56 ARG HD3 5.000 . 5.000 4.966 4.472 5.084 0.084 9 0 "[ . 1 . 2]" 1
476 1 56 ARG H 1 56 ARG QG 3.500 . 4.500 3.443 2.574 4.202 . 0 0 "[ . 1 . 2]" 1
477 1 56 ARG H 1 57 ASN H 2.900 . 2.900 3.068 3.026 3.101 0.201 10 0 "[ . 1 . 2]" 1
478 1 57 ASN H 1 57 ASN QB 3.500 . 4.100 2.492 2.436 2.621 . 0 0 "[ . 1 . 2]" 1
479 1 57 ASN QB 1 58 ILE H 2.900 . 3.900 2.889 2.795 3.002 . 0 0 "[ . 1 . 2]" 1
480 1 58 ILE HA 1 59 GLU H 2.900 . 2.900 2.492 2.470 2.510 . 0 0 "[ . 1 . 2]" 1
481 1 58 ILE H 1 58 ILE HB 2.900 . 2.900 3.030 2.999 3.064 0.164 12 0 "[ . 1 . 2]" 1
482 1 58 ILE HB 1 59 GLU H 2.900 . 2.900 3.000 2.988 3.011 0.111 8 0 "[ . 1 . 2]" 1
483 1 58 ILE H 1 58 ILE MD 5.000 . 6.500 4.166 4.103 4.205 . 0 0 "[ . 1 . 2]" 1
484 1 58 ILE MD 1 59 GLU H 3.500 . 5.000 4.248 4.238 4.276 . 0 0 "[ . 1 . 2]" 1
485 1 58 ILE H 1 58 ILE HG12 3.500 . 3.500 3.299 3.119 3.449 . 0 0 "[ . 1 . 2]" 1
486 1 58 ILE HG12 1 59 GLU H 5.000 . 5.000 4.523 4.483 4.559 . 0 0 "[ . 1 . 2]" 1
487 1 58 ILE H 1 58 ILE HG13 3.500 . 3.500 2.648 2.555 2.702 . 0 0 "[ . 1 . 2]" 1
488 1 58 ILE H 1 58 ILE MG 3.500 . 5.000 4.001 3.977 4.023 . 0 0 "[ . 1 . 2]" 1
489 1 58 ILE MG 1 59 GLU H 2.900 . 4.400 1.445 1.409 1.496 0.391 8 0 "[ . 1 . 2]" 1
490 1 58 ILE MG 1 71 ASN H 5.000 . 6.500 3.379 2.716 4.525 . 0 0 "[ . 1 . 2]" 1
491 1 59 GLU HA 1 60 CYS H 2.900 . 2.900 2.258 2.195 2.362 . 0 0 "[ . 1 . 2]" 1
492 1 59 GLU H 1 59 GLU QB 2.900 . 3.500 2.998 2.727 3.109 . 0 0 "[ . 1 . 2]" 1
493 1 59 GLU QB 1 60 CYS H 3.500 . 4.500 3.119 2.779 3.652 . 0 0 "[ . 1 . 2]" 1
494 1 59 GLU H 1 59 GLU QG 2.900 . 3.900 2.726 2.363 3.550 . 0 0 "[ . 1 . 2]" 1
495 1 59 GLU QG 1 60 CYS H 2.900 . 3.900 3.380 2.867 3.524 . 0 0 "[ . 1 . 2]" 1
496 1 60 CYS HA 1 61 VAL H 2.900 . 2.900 2.196 2.175 2.208 . 0 0 "[ . 1 . 2]" 1
497 1 60 CYS H 1 60 CYS QB 3.500 . 4.100 2.768 2.541 3.208 . 0 0 "[ . 1 . 2]" 1
498 1 60 CYS QB 1 61 VAL H 3.500 . 4.500 3.542 3.175 3.859 . 0 0 "[ . 1 . 2]" 1
499 1 61 VAL H 1 61 VAL HA 2.900 . 2.900 2.986 2.941 3.026 0.126 6 0 "[ . 1 . 2]" 1
500 1 61 VAL HA 1 62 PHE H 2.900 . 2.900 2.336 2.259 2.444 . 0 0 "[ . 1 . 2]" 1
501 1 61 VAL H 1 61 VAL HB 2.900 . 2.900 2.982 2.830 3.207 0.307 15 0 "[ . 1 . 2]" 1
502 1 61 VAL HB 1 62 PHE H 3.500 . 3.500 3.615 3.523 3.765 0.265 16 0 "[ . 1 . 2]" 1
503 1 61 VAL H 1 61 VAL QG 2.900 . 4.600 1.861 1.745 2.059 0.055 17 0 "[ . 1 . 2]" 1
504 1 61 VAL QG 1 62 PHE H 2.900 . 5.300 2.207 1.685 2.630 0.115 3 0 "[ . 1 . 2]" 1
505 1 62 PHE H 1 62 PHE HA 2.900 . 2.900 2.946 2.861 3.021 0.121 8 0 "[ . 1 . 2]" 1
506 1 62 PHE HA 1 63 GLU H 2.900 . 2.900 2.349 2.145 2.595 . 0 0 "[ . 1 . 2]" 1
507 1 62 PHE QB 1 63 GLU H 3.500 . 4.500 2.861 2.141 3.833 . 0 0 "[ . 1 . 2]" 1
508 1 62 PHE H 1 63 GLU H 5.000 . 5.000 4.346 4.098 4.500 . 0 0 "[ . 1 . 2]" 1
509 1 63 GLU HA 1 64 LEU H 2.900 . 2.900 2.449 2.212 2.568 . 0 0 "[ . 1 . 2]" 1
510 1 63 GLU H 1 63 GLU QB 2.900 . 3.500 2.471 2.261 2.812 . 0 0 "[ . 1 . 2]" 1
511 1 63 GLU QB 1 64 LEU H 3.500 . 4.500 3.222 2.231 3.851 . 0 0 "[ . 1 . 2]" 1
512 1 63 GLU QB 1 66 VAL H 5.000 . 6.000 4.099 2.934 5.077 . 0 0 "[ . 1 . 2]" 1
513 1 63 GLU H 1 63 GLU QG 3.500 . 4.500 3.900 2.846 4.117 . 0 0 "[ . 1 . 2]" 1
514 1 63 GLU QG 1 64 LEU H 3.500 . 4.500 2.223 1.656 4.115 0.144 10 0 "[ . 1 . 2]" 1
515 1 63 GLU QG 1 66 VAL H 5.000 . 6.000 4.303 3.406 5.416 . 0 0 "[ . 1 . 2]" 1
516 1 64 LEU H 1 64 LEU HA 2.900 . 2.900 2.982 2.863 3.016 0.116 4 0 "[ . 1 . 2]" 1
517 1 64 LEU HA 1 65 GLY H 2.900 . 2.900 2.202 2.172 2.285 . 0 0 "[ . 1 . 2]" 1
518 1 64 LEU HA 1 66 VAL H 5.000 . 5.000 3.578 3.199 3.875 . 0 0 "[ . 1 . 2]" 1
519 1 64 LEU H 1 64 LEU QB 2.900 . 3.500 2.519 2.369 2.896 . 0 0 "[ . 1 . 2]" 1
520 1 64 LEU QB 1 65 GLY H 5.000 . 6.000 3.256 2.786 3.546 . 0 0 "[ . 1 . 2]" 1
521 1 64 LEU H 1 64 LEU QD 2.900 . 4.600 2.970 1.570 3.429 0.230 8 0 "[ . 1 . 2]" 1
522 1 64 LEU QD 1 65 GLY H 2.900 . 5.300 3.509 3.007 3.972 . 0 0 "[ . 1 . 2]" 1
523 1 64 LEU QD 1 83 SER H 5.000 . 7.400 4.893 4.300 5.514 . 0 0 "[ . 1 . 2]" 1
524 1 64 LEU QD 1 84 LEU H 2.900 . 5.300 3.633 2.831 3.881 . 0 0 "[ . 1 . 2]" 1
525 1 64 LEU H 1 64 LEU HG 2.900 . 2.900 2.394 1.780 2.866 0.020 14 0 "[ . 1 . 2]" 1
526 1 64 LEU H 1 65 GLY H 5.000 . 5.000 4.544 4.354 4.704 . 0 0 "[ . 1 . 2]" 1
527 1 65 GLY QA 1 66 VAL H 3.500 . 4.500 2.883 2.814 2.966 . 0 0 "[ . 1 . 2]" 1
528 1 65 GLY H 1 66 VAL H 2.900 . 2.900 2.445 2.091 2.909 0.009 4 0 "[ . 1 . 2]" 1
529 1 65 GLY H 1 81 THR HB 3.500 . 3.500 3.377 3.018 3.540 0.040 12 0 "[ . 1 . 2]" 1
530 1 65 GLY H 1 81 THR MG 3.500 . 5.000 2.635 2.077 3.107 . 0 0 "[ . 1 . 2]" 1
531 1 65 GLY H 1 82 TRP H 5.000 . 5.000 4.324 3.453 4.992 . 0 0 "[ . 1 . 2]" 1
532 1 65 GLY H 1 83 SER HA 5.000 . 5.000 4.982 4.729 5.025 0.025 7 0 "[ . 1 . 2]" 1
533 1 66 VAL H 1 66 VAL HA 2.900 . 2.900 2.999 2.968 3.017 0.117 3 0 "[ . 1 . 2]" 1
534 1 66 VAL HA 1 67 THR H 2.900 . 2.900 2.212 2.181 2.235 . 0 0 "[ . 1 . 2]" 1
535 1 66 VAL H 1 66 VAL HB 2.900 . 2.900 2.809 2.513 2.933 0.033 11 0 "[ . 1 . 2]" 1
536 1 66 VAL H 1 66 VAL QG 2.900 . 4.600 2.577 1.814 3.016 . 0 0 "[ . 1 . 2]" 1
537 1 66 VAL QG 1 67 THR H 2.900 . 5.300 3.066 2.718 3.210 . 0 0 "[ . 1 . 2]" 1
538 1 66 VAL H 1 67 THR H 5.000 . 5.000 4.124 3.894 4.493 . 0 0 "[ . 1 . 2]" 1
539 1 66 VAL H 1 81 THR HB 5.000 . 5.000 4.319 3.755 5.034 0.034 7 0 "[ . 1 . 2]" 1
540 1 67 THR HA 1 68 PHE H 2.900 . 2.900 2.186 2.164 2.217 . 0 0 "[ . 1 . 2]" 1
541 1 67 THR HA 1 80 GLY H 3.500 . 3.500 3.817 3.782 3.851 0.351 16 0 "[ . 1 . 2]" 1
542 1 67 THR H 1 67 THR HB 2.900 . 2.900 2.959 2.923 2.976 0.076 5 0 "[ . 1 . 2]" 1
543 1 67 THR HB 1 68 PHE H 3.500 . 3.500 3.658 3.623 3.679 0.179 5 0 "[ . 1 . 2]" 1
544 1 67 THR H 1 67 THR MG 3.500 . 5.000 3.675 3.653 3.705 . 0 0 "[ . 1 . 2]" 1
545 1 67 THR MG 1 68 PHE H 2.900 . 4.400 2.240 2.014 2.427 . 0 0 "[ . 1 . 2]" 1
546 1 67 THR MG 1 80 GLY H 2.900 . 4.400 2.649 2.531 2.870 . 0 0 "[ . 1 . 2]" 1
547 1 67 THR H 1 68 PHE H 5.000 . 5.000 4.651 4.634 4.673 . 0 0 "[ . 1 . 2]" 1
548 1 68 PHE H 1 68 PHE HA 2.900 . 2.900 2.966 2.909 2.984 0.084 3 0 "[ . 1 . 2]" 1
549 1 68 PHE HA 1 69 ASN H 2.900 . 2.900 2.759 2.741 2.821 . 0 0 "[ . 1 . 2]" 1
550 1 68 PHE HA 1 80 GLY H 5.000 . 5.000 4.730 4.564 4.779 . 0 0 "[ . 1 . 2]" 1
551 1 68 PHE QB 1 69 ASN H 2.900 . 3.900 1.960 1.902 2.377 . 0 0 "[ . 1 . 2]" 1
552 1 68 PHE H 1 68 PHE HD1 2.900 . 2.900 2.746 1.817 2.897 . 0 0 "[ . 1 . 2]" 1
553 1 68 PHE HD1 1 69 ASN H 3.500 . 3.500 3.586 3.535 3.860 0.360 17 0 "[ . 1 . 2]" 1
554 1 68 PHE H 1 68 PHE HE1 5.000 . 5.000 4.142 4.065 4.475 . 0 0 "[ . 1 . 2]" 1
555 1 68 PHE HE1 1 82 TRP HE1 5.000 . 5.000 2.620 2.321 3.447 . 0 0 "[ . 1 . 2]" 1
556 1 68 PHE HE1 1 82 TRP H 3.500 . 3.500 3.604 3.564 3.635 0.135 20 0 "[ . 1 . 2]" 1
557 1 68 PHE H 1 69 ASN H 5.000 . 5.000 4.363 4.312 4.373 . 0 0 "[ . 1 . 2]" 1
558 1 68 PHE H 1 80 GLY H 2.900 . 2.900 2.443 2.381 2.496 . 0 0 "[ . 1 . 2]" 1
559 1 68 PHE H 1 81 THR MG 2.900 . 4.400 3.030 2.622 3.198 . 0 0 "[ . 1 . 2]" 1
560 1 68 PHE HZ 1 82 TRP HE1 3.500 . 3.500 3.550 3.318 3.584 0.084 6 0 "[ . 1 . 2]" 1
561 1 69 ASN H 1 69 ASN HA 2.900 . 2.900 3.009 2.990 3.025 0.125 20 0 "[ . 1 . 2]" 1
562 1 69 ASN HA 1 70 CYS H 2.900 . 2.900 2.274 2.242 2.303 . 0 0 "[ . 1 . 2]" 1
563 1 69 ASN HA 1 78 LEU H 5.000 . 5.000 4.608 4.547 4.691 . 0 0 "[ . 1 . 2]" 1
564 1 69 ASN HA 1 80 GLY H 3.500 . 3.500 3.588 3.381 3.629 0.129 20 0 "[ . 1 . 2]" 1
565 1 69 ASN H 1 69 ASN QB 2.900 . 3.500 3.032 2.636 3.195 . 0 0 "[ . 1 . 2]" 1
566 1 69 ASN QB 1 70 CYS H 2.900 . 3.900 2.747 2.542 2.814 . 0 0 "[ . 1 . 2]" 1
567 1 70 CYS H 1 70 CYS HA 2.900 . 2.900 2.978 2.962 3.008 0.108 5 0 "[ . 1 . 2]" 1
568 1 70 CYS HA 1 71 ASN H 2.900 . 2.900 2.284 2.210 2.553 . 0 0 "[ . 1 . 2]" 1
569 1 70 CYS H 1 70 CYS QB 3.500 . 4.100 2.801 2.661 2.927 . 0 0 "[ . 1 . 2]" 1
570 1 70 CYS QB 1 71 ASN H 3.500 . 4.500 3.403 3.053 3.747 . 0 0 "[ . 1 . 2]" 1
571 1 70 CYS H 1 71 ASN H 5.000 . 5.000 4.273 4.165 4.462 . 0 0 "[ . 1 . 2]" 1
572 1 70 CYS H 1 77 GLU HA 5.000 . 5.000 4.497 4.349 4.580 . 0 0 "[ . 1 . 2]" 1
573 1 70 CYS H 1 77 GLU QG 5.000 . 6.000 3.911 3.588 4.058 . 0 0 "[ . 1 . 2]" 1
574 1 70 CYS H 1 78 LEU QB 5.000 . 6.000 3.943 3.585 4.191 . 0 0 "[ . 1 . 2]" 1
575 1 70 CYS H 1 78 LEU H 2.900 . 2.900 2.909 2.888 2.932 0.032 5 0 "[ . 1 . 2]" 1
576 1 70 CYS H 1 79 ARG HA 3.500 . 3.500 3.439 3.334 3.566 0.066 17 0 "[ . 1 . 2]" 1
577 1 71 ASN HA 1 72 LEU H 2.900 . 2.900 2.252 2.220 2.288 . 0 0 "[ . 1 . 2]" 1
578 1 71 ASN HA 1 77 GLU H 5.000 . 5.000 4.459 4.421 4.531 . 0 0 "[ . 1 . 2]" 1
579 1 71 ASN HA 1 78 LEU H 2.900 . 2.900 2.956 2.927 2.984 0.084 5 0 "[ . 1 . 2]" 1
580 1 71 ASN H 1 71 ASN QB 2.900 . 3.500 2.908 2.419 3.176 . 0 0 "[ . 1 . 2]" 1
581 1 71 ASN QB 1 72 LEU H 2.900 . 3.900 2.888 2.806 2.982 . 0 0 "[ . 1 . 2]" 1
582 1 71 ASN QB 1 75 GLY H 5.000 . 6.000 4.602 4.457 4.832 . 0 0 "[ . 1 . 2]" 1
583 1 72 LEU HA 1 73 ALA H 3.500 . 3.500 2.276 2.271 2.281 . 0 0 "[ . 1 . 2]" 1
584 1 72 LEU H 1 72 LEU QB 2.900 . 3.500 2.422 2.303 2.575 . 0 0 "[ . 1 . 2]" 1
585 1 72 LEU QB 1 74 ASP H 5.000 . 6.000 2.570 2.480 2.665 . 0 0 "[ . 1 . 2]" 1
586 1 72 LEU QB 1 75 GLY H 5.000 . 6.000 4.009 3.836 4.190 . 0 0 "[ . 1 . 2]" 1
587 1 72 LEU QB 1 76 THR H 3.500 . 4.500 2.892 2.747 3.047 . 0 0 "[ . 1 . 2]" 1
588 1 72 LEU H 1 72 LEU QD 3.500 . 5.200 3.236 3.090 3.410 . 0 0 "[ . 1 . 2]" 1
589 1 72 LEU QD 1 73 ALA H 5.000 . 7.400 3.299 3.066 3.594 . 0 0 "[ . 1 . 2]" 1
590 1 72 LEU QD 1 76 THR H 3.500 . 5.900 4.251 4.042 4.418 . 0 0 "[ . 1 . 2]" 1
591 1 72 LEU H 1 72 LEU HG 2.900 . 2.900 2.601 2.211 2.913 0.013 10 0 "[ . 1 . 2]" 1
592 1 72 LEU H 1 76 THR HB 3.500 . 3.500 2.889 2.819 3.050 . 0 0 "[ . 1 . 2]" 1
593 1 72 LEU H 1 76 THR H 5.000 . 5.000 2.839 2.713 2.906 . 0 0 "[ . 1 . 2]" 1
594 1 72 LEU H 1 77 GLU HA 3.500 . 3.500 3.537 3.501 3.558 0.058 17 0 "[ . 1 . 2]" 1
595 1 72 LEU H 1 78 LEU QD 5.000 . 7.400 2.910 2.637 3.945 . 0 0 "[ . 1 . 2]" 1
596 1 72 LEU H 1 78 LEU H 5.000 . 5.000 4.470 4.308 4.652 . 0 0 "[ . 1 . 2]" 1
597 1 73 ALA HA 1 74 ASP H 5.000 . 5.000 3.550 3.526 3.566 . 0 0 "[ . 1 . 2]" 1
598 1 73 ALA HA 1 75 GLY H 5.000 . 5.000 3.083 3.030 3.117 . 0 0 "[ . 1 . 2]" 1
599 1 73 ALA MB 1 74 ASP H 3.500 . 5.000 2.681 2.619 2.768 . 0 0 "[ . 1 . 2]" 1
600 1 74 ASP HA 1 75 GLY H 3.500 . 3.500 3.203 3.102 3.280 . 0 0 "[ . 1 . 2]" 1
601 1 74 ASP HA 1 76 THR H 5.000 . 5.000 4.596 4.472 4.677 . 0 0 "[ . 1 . 2]" 1
602 1 74 ASP H 1 74 ASP QB 3.500 . 4.100 2.448 2.202 2.938 . 0 0 "[ . 1 . 2]" 1
603 1 74 ASP QB 1 75 GLY H 5.000 . 6.000 3.578 3.443 3.811 . 0 0 "[ . 1 . 2]" 1
604 1 74 ASP H 1 75 GLY H 2.900 . 2.900 2.887 2.827 2.938 0.038 6 0 "[ . 1 . 2]" 1
605 1 75 GLY QA 1 76 THR H 3.500 . 4.500 2.853 2.829 2.868 . 0 0 "[ . 1 . 2]" 1
606 1 75 GLY H 1 76 THR H 2.900 . 2.900 2.530 2.413 2.645 . 0 0 "[ . 1 . 2]" 1
607 1 76 THR H 1 76 THR HA 2.900 . 2.900 3.006 3.004 3.008 0.108 4 0 "[ . 1 . 2]" 1
608 1 76 THR HA 1 77 GLU H 2.900 . 2.900 2.384 2.368 2.400 . 0 0 "[ . 1 . 2]" 1
609 1 76 THR H 1 76 THR HB 2.900 . 2.900 3.035 3.015 3.059 0.159 19 0 "[ . 1 . 2]" 1
610 1 76 THR HB 1 77 GLU H 2.900 . 2.900 3.102 3.079 3.121 0.221 2 0 "[ . 1 . 2]" 1
611 1 76 THR H 1 76 THR MG 2.900 . 4.400 3.759 3.735 3.777 . 0 0 "[ . 1 . 2]" 1
612 1 76 THR MG 1 77 GLU H 2.900 . 4.400 2.096 2.037 2.169 . 0 0 "[ . 1 . 2]" 1
613 1 76 THR MG 1 95 ARG H 5.000 . 6.500 5.346 5.310 5.384 . 0 0 "[ . 1 . 2]" 1
614 1 76 THR H 1 77 GLU H 5.000 . 5.000 4.602 4.594 4.608 . 0 0 "[ . 1 . 2]" 1
615 1 77 GLU H 1 77 GLU HA 2.900 . 2.900 3.019 3.017 3.023 0.123 6 0 "[ . 1 . 2]" 1
616 1 77 GLU HA 1 78 LEU H 2.900 . 2.900 2.220 2.207 2.230 . 0 0 "[ . 1 . 2]" 1
617 1 77 GLU H 1 77 GLU QB 2.900 . 3.500 2.617 2.599 2.635 . 0 0 "[ . 1 . 2]" 1
618 1 77 GLU QB 1 78 LEU H 3.500 . 4.500 3.869 3.770 3.922 . 0 0 "[ . 1 . 2]" 1
619 1 77 GLU H 1 77 GLU QG 3.500 . 4.500 4.135 4.107 4.161 . 0 0 "[ . 1 . 2]" 1
620 1 77 GLU QG 1 78 LEU H 2.900 . 3.900 2.932 2.784 3.050 . 0 0 "[ . 1 . 2]" 1
621 1 77 GLU H 1 78 LEU H 5.000 . 5.000 4.266 4.191 4.326 . 0 0 "[ . 1 . 2]" 1
622 1 78 LEU HA 1 79 ARG H 2.900 . 2.900 2.388 2.250 2.449 . 0 0 "[ . 1 . 2]" 1
623 1 78 LEU HA 1 94 LYS H 5.000 . 5.000 3.824 3.478 4.083 . 0 0 "[ . 1 . 2]" 1
624 1 78 LEU HA 1 96 THR H 2.900 . 2.900 2.161 1.892 2.543 . 0 0 "[ . 1 . 2]" 1
625 1 78 LEU H 1 78 LEU QB 3.500 . 4.100 2.949 2.483 3.255 . 0 0 "[ . 1 . 2]" 1
626 1 78 LEU QB 1 79 ARG H 3.500 . 4.500 2.629 2.516 3.013 . 0 0 "[ . 1 . 2]" 1
627 1 78 LEU QB 1 94 LYS H 5.000 . 6.000 2.772 2.505 3.213 . 0 0 "[ . 1 . 2]" 1
628 1 78 LEU H 1 78 LEU QD 3.500 . 5.200 2.019 1.477 3.464 0.323 5 0 "[ . 1 . 2]" 1
629 1 78 LEU QD 1 79 ARG H 2.900 . 5.300 3.976 3.068 4.067 . 0 0 "[ . 1 . 2]" 1
630 1 78 LEU QD 1 94 LYS H 3.500 . 5.900 3.966 2.530 4.431 . 0 0 "[ . 1 . 2]" 1
631 1 78 LEU QD 1 95 ARG H 3.500 . 5.900 3.098 2.349 4.096 . 0 0 "[ . 1 . 2]" 1
632 1 78 LEU QD 1 96 THR H 2.900 . 5.300 3.854 3.027 4.053 . 0 0 "[ . 1 . 2]" 1
633 1 78 LEU QD 1 97 ASP H 5.000 . 7.400 4.926 4.137 5.211 . 0 0 "[ . 1 . 2]" 1
634 1 78 LEU H 1 78 LEU HG 3.500 . 3.500 3.065 1.933 3.605 0.105 19 0 "[ . 1 . 2]" 1
635 1 78 LEU H 1 79 ARG H 5.000 . 5.000 4.534 4.509 4.578 . 0 0 "[ . 1 . 2]" 1
636 1 79 ARG HA 1 80 GLY H 2.900 . 2.900 2.269 2.235 2.312 . 0 0 "[ . 1 . 2]" 1
637 1 79 ARG H 1 79 ARG QB 3.500 . 4.100 3.050 2.657 3.203 . 0 0 "[ . 1 . 2]" 1
638 1 79 ARG QB 1 80 GLY H 3.500 . 4.500 3.002 2.792 3.570 . 0 0 "[ . 1 . 2]" 1
639 1 79 ARG QG 1 80 GLY H 3.500 . 4.500 3.579 2.272 3.982 . 0 0 "[ . 1 . 2]" 1
640 1 79 ARG H 1 93 PHE QB 5.000 . 6.000 3.981 3.787 4.078 . 0 0 "[ . 1 . 2]" 1
641 1 79 ARG H 1 93 PHE HD1 5.000 . 5.000 4.578 4.423 4.727 . 0 0 "[ . 1 . 2]" 1
642 1 79 ARG H 1 94 LYS QB 5.000 . 6.000 3.458 3.020 4.351 . 0 0 "[ . 1 . 2]" 1
643 1 79 ARG H 1 94 LYS H 2.900 . 2.900 2.088 1.927 2.229 . 0 0 "[ . 1 . 2]" 1
644 1 79 ARG H 1 95 ARG HA 5.000 . 5.000 4.316 4.148 4.479 . 0 0 "[ . 1 . 2]" 1
645 1 79 ARG H 1 96 THR MG 2.900 . 4.400 3.348 3.327 3.375 . 0 0 "[ . 1 . 2]" 1
646 1 79 ARG H 1 96 THR H 5.000 . 5.000 4.061 3.773 4.157 . 0 0 "[ . 1 . 2]" 1
647 1 80 GLY QA 1 81 THR H 2.900 . 3.900 2.172 2.162 2.194 . 0 0 "[ . 1 . 2]" 1
648 1 80 GLY QA 1 94 LYS H 3.500 . 4.500 3.702 3.511 3.927 . 0 0 "[ . 1 . 2]" 1
649 1 80 GLY H 1 81 THR MG 5.000 . 6.500 4.277 3.966 4.388 . 0 0 "[ . 1 . 2]" 1
650 1 80 GLY H 1 81 THR H 3.500 . 3.500 3.876 3.810 3.934 0.434 6 0 "[ . 1 . 2]" 1
651 1 80 GLY H 1 93 PHE HD1 3.500 . 3.500 3.576 3.542 3.620 0.120 19 0 "[ . 1 . 2]" 1
652 1 81 THR HA 1 82 TRP H 2.900 . 2.900 2.336 2.264 2.364 . 0 0 "[ . 1 . 2]" 1
653 1 81 THR HB 1 82 TRP H 2.900 . 2.900 2.947 2.923 2.976 0.076 8 0 "[ . 1 . 2]" 1
654 1 81 THR H 1 81 THR MG 3.500 . 5.000 3.976 3.898 4.021 . 0 0 "[ . 1 . 2]" 1
655 1 81 THR MG 1 82 TRP H 2.900 . 4.400 2.616 2.419 2.913 . 0 0 "[ . 1 . 2]" 1
656 1 81 THR H 1 82 TRP H 5.000 . 5.000 4.336 4.267 4.358 . 0 0 "[ . 1 . 2]" 1
657 1 81 THR H 1 92 LYS H 2.900 . 2.900 3.039 2.991 3.089 0.189 2 0 "[ . 1 . 2]" 1
658 1 81 THR H 1 93 PHE HA 5.000 . 5.000 3.895 3.818 4.004 . 0 0 "[ . 1 . 2]" 1
659 1 82 TRP HA 1 83 SER H 2.900 . 2.900 2.257 2.235 2.281 . 0 0 "[ . 1 . 2]" 1
660 1 82 TRP HA 1 90 ILE H 5.000 . 5.000 4.753 4.650 4.811 . 0 0 "[ . 1 . 2]" 1
661 1 82 TRP HA 1 91 GLY H 5.000 . 5.000 4.340 4.293 4.472 . 0 0 "[ . 1 . 2]" 1
662 1 82 TRP HA 1 92 LYS H 3.500 . 3.500 3.208 3.133 3.426 . 0 0 "[ . 1 . 2]" 1
663 1 82 TRP H 1 82 TRP QB 3.500 . 4.100 2.670 2.427 2.734 . 0 0 "[ . 1 . 2]" 1
664 1 82 TRP QB 1 83 SER H 3.500 . 4.500 2.964 2.894 3.208 . 0 0 "[ . 1 . 2]" 1
665 1 82 TRP H 1 82 TRP HD1 5.000 . 5.000 2.004 1.743 2.488 0.057 2 0 "[ . 1 . 2]" 1
666 1 83 SER HA 1 84 LEU H 2.900 . 2.900 2.398 2.225 2.422 . 0 0 "[ . 1 . 2]" 1
667 1 83 SER H 1 83 SER QB 2.900 . 3.500 2.724 2.564 3.278 . 0 0 "[ . 1 . 2]" 1
668 1 83 SER QB 1 84 LEU H 2.900 . 3.900 3.000 2.665 3.476 . 0 0 "[ . 1 . 2]" 1
669 1 83 SER QB 1 90 ILE H 5.000 . 6.000 4.150 3.989 4.485 . 0 0 "[ . 1 . 2]" 1
670 1 83 SER H 1 89 LEU HA 5.000 . 5.000 4.350 4.186 4.548 . 0 0 "[ . 1 . 2]" 1
671 1 83 SER H 1 90 ILE HB 3.500 . 3.500 3.611 3.591 3.655 0.155 17 0 "[ . 1 . 2]" 1
672 1 83 SER H 1 90 ILE MD 5.000 . 6.500 3.230 1.593 3.431 0.207 8 0 "[ . 1 . 2]" 1
673 1 83 SER H 1 90 ILE MG 5.000 . 6.500 4.478 4.406 4.809 . 0 0 "[ . 1 . 2]" 1
674 1 83 SER H 1 90 ILE H 2.900 . 2.900 2.957 2.927 2.971 0.071 15 0 "[ . 1 . 2]" 1
675 1 83 SER H 1 91 GLY QA 5.000 . 6.000 3.671 3.614 3.736 . 0 0 "[ . 1 . 2]" 1
676 1 83 SER H 1 92 LYS H 5.000 . 5.000 4.555 4.446 4.798 . 0 0 "[ . 1 . 2]" 1
677 1 84 LEU H 1 84 LEU HA 2.900 . 2.900 2.985 2.883 3.003 0.103 6 0 "[ . 1 . 2]" 1
678 1 84 LEU HA 1 85 GLU H 2.900 . 2.900 2.176 2.113 2.237 . 0 0 "[ . 1 . 2]" 1
679 1 84 LEU HA 1 88 LYS H 5.000 . 5.000 4.421 4.159 4.703 . 0 0 "[ . 1 . 2]" 1
680 1 84 LEU HA 1 90 ILE H 2.900 . 2.900 2.967 2.934 3.013 0.113 1 0 "[ . 1 . 2]" 1
681 1 84 LEU H 1 84 LEU QB 2.900 . 3.500 2.170 2.077 2.204 . 0 0 "[ . 1 . 2]" 1
682 1 84 LEU QB 1 85 GLU H 3.500 . 4.500 3.645 3.493 3.742 . 0 0 "[ . 1 . 2]" 1
683 1 84 LEU H 1 84 LEU QD 3.500 . 5.200 3.627 3.185 3.713 . 0 0 "[ . 1 . 2]" 1
684 1 84 LEU QD 1 85 GLU H 2.900 . 5.300 2.392 1.973 3.430 . 0 0 "[ . 1 . 2]" 1
685 1 84 LEU QD 1 88 LYS H 2.900 . 5.300 2.696 2.435 3.067 . 0 0 "[ . 1 . 2]" 1
686 1 84 LEU QD 1 89 LEU H 5.000 . 7.400 4.589 4.084 4.743 . 0 0 "[ . 1 . 2]" 1
687 1 84 LEU QD 1 90 ILE H 5.000 . 7.400 4.571 4.509 4.757 . 0 0 "[ . 1 . 2]" 1
688 1 84 LEU H 1 84 LEU HG 3.500 . 3.500 3.682 3.594 3.739 0.239 16 0 "[ . 1 . 2]" 1
689 1 84 LEU HG 1 85 GLU H 3.500 . 3.500 3.656 3.595 3.731 0.231 16 0 "[ . 1 . 2]" 1
690 1 85 GLU H 1 85 GLU HA 2.900 . 2.900 3.018 2.957 3.027 0.127 13 0 "[ . 1 . 2]" 1
691 1 85 GLU HA 1 86 GLY H 5.000 . 5.000 2.209 2.187 2.391 . 0 0 "[ . 1 . 2]" 1
692 1 85 GLU HA 1 88 LYS H 5.000 . 5.000 4.780 4.670 4.882 . 0 0 "[ . 1 . 2]" 1
693 1 85 GLU H 1 85 GLU QB 2.900 . 3.500 2.533 2.294 2.966 . 0 0 "[ . 1 . 2]" 1
694 1 85 GLU H 1 85 GLU QG 2.900 . 3.900 3.312 2.163 3.579 . 0 0 "[ . 1 . 2]" 1
695 1 85 GLU H 1 88 LYS QB 5.000 . 6.000 4.429 3.624 5.253 . 0 0 "[ . 1 . 2]" 1
696 1 85 GLU H 1 88 LYS H 2.900 . 2.900 2.969 2.941 3.044 0.144 8 0 "[ . 1 . 2]" 1
697 1 85 GLU H 1 89 LEU HA 3.500 . 3.500 3.354 3.197 3.470 . 0 0 "[ . 1 . 2]" 1
698 1 85 GLU H 1 89 LEU QD 5.000 . 7.400 4.398 4.106 4.547 . 0 0 "[ . 1 . 2]" 1
699 1 85 GLU H 1 90 ILE MD 3.500 . 5.000 4.185 4.072 4.217 . 0 0 "[ . 1 . 2]" 1
700 1 85 GLU H 1 90 ILE HG12 5.000 . 5.000 3.171 2.908 4.178 . 0 0 "[ . 1 . 2]" 1
701 1 85 GLU H 1 90 ILE H 5.000 . 5.000 3.388 2.998 3.792 . 0 0 "[ . 1 . 2]" 1
702 1 86 GLY QA 1 87 ASN H 2.900 . 3.900 2.192 2.171 2.214 . 0 0 "[ . 1 . 2]" 1
703 1 86 GLY QA 1 88 LYS H 3.500 . 4.500 3.807 3.740 3.831 . 0 0 "[ . 1 . 2]" 1
704 1 87 ASN HA 1 88 LYS H 2.900 . 2.900 2.968 2.956 2.986 0.086 8 0 "[ . 1 . 2]" 1
705 1 87 ASN H 1 87 ASN QB 3.500 . 4.100 2.670 2.488 3.156 . 0 0 "[ . 1 . 2]" 1
706 1 87 ASN QB 1 88 LYS H 3.500 . 4.500 3.895 3.833 4.092 . 0 0 "[ . 1 . 2]" 1
707 1 87 ASN H 1 88 LYS H 2.900 . 2.900 2.644 2.611 2.673 . 0 0 "[ . 1 . 2]" 1
708 1 88 LYS H 1 88 LYS HA 2.900 . 2.900 3.001 2.942 3.011 0.111 18 0 "[ . 1 . 2]" 1
709 1 88 LYS HA 1 89 LEU H 2.900 . 2.900 2.347 2.253 2.426 . 0 0 "[ . 1 . 2]" 1
710 1 88 LYS H 1 88 LYS QB 2.900 . 3.500 3.150 2.819 3.302 . 0 0 "[ . 1 . 2]" 1
711 1 88 LYS QB 1 89 LEU H 2.900 . 3.900 2.674 2.485 2.954 . 0 0 "[ . 1 . 2]" 1
712 1 88 LYS H 1 88 LYS QD 3.500 . 4.500 3.225 1.865 4.177 . 0 0 "[ . 1 . 2]" 1
713 1 88 LYS QD 1 89 LEU H 5.000 . 6.000 4.986 4.533 5.185 . 0 0 "[ . 1 . 2]" 1
714 1 88 LYS H 1 88 LYS QE 3.500 . 4.500 3.735 2.679 4.110 . 0 0 "[ . 1 . 2]" 1
715 1 88 LYS H 1 88 LYS QG 2.900 . 3.900 2.449 2.018 3.424 . 0 0 "[ . 1 . 2]" 1
716 1 88 LYS QG 1 89 LEU H 5.000 . 6.000 3.981 3.472 4.519 . 0 0 "[ . 1 . 2]" 1
717 1 88 LYS H 1 105 VAL QG 5.000 . 7.400 4.829 4.654 4.989 . 0 0 "[ . 1 . 2]" 1
718 1 88 LYS H 1 89 LEU H 5.000 . 5.000 4.464 4.423 4.492 . 0 0 "[ . 1 . 2]" 1
719 1 88 LYS H 1 90 ILE MG 5.000 . 6.500 5.207 5.183 5.259 . 0 0 "[ . 1 . 2]" 1
720 1 89 LEU HA 1 90 ILE H 2.900 . 2.900 2.210 2.187 2.259 . 0 0 "[ . 1 . 2]" 1
721 1 89 LEU QB 1 106 ARG H 3.500 . 4.500 2.937 2.555 3.151 . 0 0 "[ . 1 . 2]" 1
722 1 89 LEU H 1 89 LEU QB 2.900 . 3.500 2.269 2.172 2.490 . 0 0 "[ . 1 . 2]" 1
723 1 89 LEU QB 1 90 ILE H 3.500 . 4.500 3.610 3.319 3.757 . 0 0 "[ . 1 . 2]" 1
724 1 89 LEU H 1 89 LEU QD 3.500 . 5.200 3.407 2.992 3.621 . 0 0 "[ . 1 . 2]" 1
725 1 89 LEU QD 1 90 ILE H 3.500 . 5.900 3.410 3.049 3.839 . 0 0 "[ . 1 . 2]" 1
726 1 89 LEU H 1 89 LEU HG 3.500 . 3.500 3.205 2.261 3.511 0.011 6 0 "[ . 1 . 2]" 1
727 1 89 LEU HG 1 90 ILE H 5.000 . 5.000 4.624 4.391 4.937 . 0 0 "[ . 1 . 2]" 1
728 1 89 LEU H 1 105 VAL HA 5.000 . 5.000 4.824 4.702 4.955 . 0 0 "[ . 1 . 2]" 1
729 1 89 LEU H 1 105 VAL QG 2.900 . 5.300 2.934 2.743 3.078 . 0 0 "[ . 1 . 2]" 1
730 1 89 LEU H 1 106 ARG QB 5.000 . 6.000 3.676 3.491 3.916 . 0 0 "[ . 1 . 2]" 1
731 1 89 LEU H 1 106 ARG H 2.900 . 2.900 2.908 2.888 2.947 0.047 8 0 "[ . 1 . 2]" 1
732 1 90 ILE HA 1 106 ARG H 5.000 . 5.000 3.607 3.509 3.751 . 0 0 "[ . 1 . 2]" 1
733 1 90 ILE HA 1 91 GLY H 2.900 . 2.900 2.377 2.354 2.387 . 0 0 "[ . 1 . 2]" 1
734 1 90 ILE H 1 90 ILE HB 3.500 . 3.500 3.555 3.445 3.575 0.075 16 0 "[ . 1 . 2]" 1
735 1 90 ILE HB 1 91 GLY H 5.000 . 5.000 2.460 2.425 2.696 . 0 0 "[ . 1 . 2]" 1
736 1 90 ILE H 1 90 ILE MD 3.500 . 5.000 3.417 2.430 3.503 . 0 0 "[ . 1 . 2]" 1
737 1 90 ILE MD 1 91 GLY H 3.500 . 5.000 4.294 4.123 4.325 . 0 0 "[ . 1 . 2]" 1
738 1 90 ILE H 1 90 ILE HG12 3.500 . 3.500 1.871 1.763 3.244 0.037 12 0 "[ . 1 . 2]" 1
739 1 90 ILE HG12 1 91 GLY H 5.000 . 5.000 4.964 4.935 5.115 0.115 8 0 "[ . 1 . 2]" 1
740 1 90 ILE H 1 90 ILE MG 2.900 . 4.400 2.923 2.814 3.411 . 0 0 "[ . 1 . 2]" 1
741 1 90 ILE MG 1 91 GLY H 2.900 . 4.400 3.101 2.709 3.154 . 0 0 "[ . 1 . 2]" 1
742 1 90 ILE MG 1 92 LYS H 5.000 . 6.500 5.426 5.201 5.453 . 0 0 "[ . 1 . 2]" 1
743 1 90 ILE H 1 91 GLY H 5.000 . 5.000 4.641 4.620 4.660 . 0 0 "[ . 1 . 2]" 1
744 1 91 GLY QA 1 92 LYS H 2.900 . 3.900 2.230 2.196 2.245 . 0 0 "[ . 1 . 2]" 1
745 1 91 GLY H 1 104 THR MG 3.500 . 5.000 2.730 2.559 2.932 . 0 0 "[ . 1 . 2]" 1
746 1 91 GLY H 1 104 THR H 3.500 . 3.500 3.185 3.016 3.369 . 0 0 "[ . 1 . 2]" 1
747 1 91 GLY H 1 105 VAL HA 3.500 . 3.500 3.316 3.113 3.435 . 0 0 "[ . 1 . 2]" 1
748 1 91 GLY H 1 105 VAL QG 2.900 . 5.300 3.506 3.219 3.731 . 0 0 "[ . 1 . 2]" 1
749 1 91 GLY H 1 92 LYS H 3.500 . 3.500 3.706 3.681 3.774 0.274 8 0 "[ . 1 . 2]" 1
750 1 92 LYS HA 1 104 THR H 5.000 . 5.000 3.514 3.353 3.604 . 0 0 "[ . 1 . 2]" 1
751 1 92 LYS H 1 92 LYS HA 2.900 . 2.900 2.984 2.977 3.006 0.106 8 0 "[ . 1 . 2]" 1
752 1 92 LYS HA 1 93 PHE H 2.900 . 2.900 2.209 2.193 2.222 . 0 0 "[ . 1 . 2]" 1
753 1 92 LYS H 1 92 LYS QB 2.900 . 3.500 2.362 2.135 2.626 . 0 0 "[ . 1 . 2]" 1
754 1 92 LYS QB 1 93 PHE H 3.500 . 4.500 3.680 3.597 3.944 . 0 0 "[ . 1 . 2]" 1
755 1 92 LYS H 1 92 LYS QD 5.000 . 6.000 3.769 3.036 4.688 . 0 0 "[ . 1 . 2]" 1
756 1 92 LYS H 1 92 LYS QG 2.900 . 3.900 2.681 2.037 3.597 . 0 0 "[ . 1 . 2]" 1
757 1 92 LYS QG 1 93 PHE H 3.500 . 4.500 4.025 3.311 4.159 . 0 0 "[ . 1 . 2]" 1
758 1 92 LYS H 1 104 THR MG 3.500 . 5.000 4.241 4.214 4.263 . 0 0 "[ . 1 . 2]" 1
759 1 92 LYS H 1 93 PHE HD1 5.000 . 5.000 4.400 4.312 4.472 . 0 0 "[ . 1 . 2]" 1
760 1 92 LYS H 1 93 PHE HE1 5.000 . 5.000 4.990 4.766 5.059 0.059 19 0 "[ . 1 . 2]" 1
761 1 92 LYS H 1 93 PHE H 5.000 . 5.000 4.325 4.292 4.378 . 0 0 "[ . 1 . 2]" 1
762 1 93 PHE HA 1 94 LYS H 2.900 . 2.900 2.187 2.140 2.257 . 0 0 "[ . 1 . 2]" 1
763 1 93 PHE QB 1 102 LEU H 5.000 . 6.000 4.217 3.956 4.390 . 0 0 "[ . 1 . 2]" 1
764 1 93 PHE H 1 93 PHE QB 3.500 . 4.100 2.395 2.358 2.449 . 0 0 "[ . 1 . 2]" 1
765 1 93 PHE QB 1 94 LYS H 2.900 . 3.900 3.078 2.814 3.353 . 0 0 "[ . 1 . 2]" 1
766 1 93 PHE H 1 93 PHE HD1 3.500 . 3.500 3.692 3.670 3.739 0.239 8 0 "[ . 1 . 2]" 1
767 1 93 PHE HD1 1 94 LYS H 3.500 . 3.500 3.626 3.580 3.654 0.154 11 0 "[ . 1 . 2]" 1
768 1 93 PHE H 1 102 LEU H 3.500 . 3.500 3.523 3.471 3.552 0.052 3 0 "[ . 1 . 2]" 1
769 1 93 PHE H 1 103 ASN HA 3.500 . 3.500 3.489 3.023 3.539 0.039 13 0 "[ . 1 . 2]" 1
770 1 93 PHE H 1 104 THR H 5.000 . 5.000 3.985 3.804 4.505 . 0 0 "[ . 1 . 2]" 1
771 1 93 PHE H 1 94 LYS H 5.000 . 5.000 4.475 4.378 4.541 . 0 0 "[ . 1 . 2]" 1
772 1 94 LYS HA 1 101 GLU H 5.000 . 5.000 3.275 2.842 4.168 . 0 0 "[ . 1 . 2]" 1
773 1 94 LYS H 1 94 LYS HA 2.900 . 2.900 3.020 2.999 3.026 0.126 13 0 "[ . 1 . 2]" 1
774 1 94 LYS HA 1 95 ARG H 2.900 . 2.900 2.178 2.156 2.195 . 0 0 "[ . 1 . 2]" 1
775 1 94 LYS QB 1 102 LEU H 5.000 . 6.000 4.482 3.377 5.091 . 0 0 "[ . 1 . 2]" 1
776 1 94 LYS H 1 94 LYS QB 2.900 . 3.500 2.577 2.332 3.046 . 0 0 "[ . 1 . 2]" 1
777 1 94 LYS QB 1 95 ARG H 2.900 . 3.900 3.427 3.325 3.506 . 0 0 "[ . 1 . 2]" 1
778 1 94 LYS H 1 94 LYS QD 5.000 . 6.000 3.972 2.482 4.648 . 0 0 "[ . 1 . 2]" 1
779 1 94 LYS QD 1 95 ARG H 5.000 . 6.000 5.371 4.933 5.528 . 0 0 "[ . 1 . 2]" 1
780 1 94 LYS QG 1 102 LEU H 5.000 . 6.000 3.884 2.988 5.370 . 0 0 "[ . 1 . 2]" 1
781 1 94 LYS H 1 94 LYS QG 3.500 . 4.500 3.046 2.186 3.797 . 0 0 "[ . 1 . 2]" 1
782 1 94 LYS QG 1 95 ARG H 3.500 . 4.500 3.891 3.507 4.084 . 0 0 "[ . 1 . 2]" 1
783 1 95 ARG HA 1 96 THR H 2.900 . 2.900 2.187 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
784 1 95 ARG HA 1 97 ASP H 3.500 . 3.500 3.312 3.280 3.348 . 0 0 "[ . 1 . 2]" 1
785 1 95 ARG QB 1 100 ASN H 2.900 . 3.900 1.750 1.648 1.966 0.152 8 0 "[ . 1 . 2]" 1
786 1 95 ARG H 1 95 ARG QB 2.900 . 3.500 2.294 2.065 2.562 . 0 0 "[ . 1 . 2]" 1
787 1 95 ARG QB 1 96 THR H 3.500 . 4.500 3.529 3.467 3.699 . 0 0 "[ . 1 . 2]" 1
788 1 95 ARG QB 1 97 ASP H 2.900 . 3.900 2.673 2.496 2.873 . 0 0 "[ . 1 . 2]" 1
789 1 95 ARG QB 1 98 ASN H 3.500 . 4.500 2.096 1.853 2.345 . 0 0 "[ . 1 . 2]" 1
790 1 95 ARG QB 1 99 GLY H 3.500 . 4.500 2.779 2.513 3.013 . 0 0 "[ . 1 . 2]" 1
791 1 95 ARG QD 1 100 ASN H 3.500 . 4.500 3.474 2.995 4.077 . 0 0 "[ . 1 . 2]" 1
792 1 95 ARG H 1 95 ARG QD 5.000 . 6.000 4.021 3.640 4.188 . 0 0 "[ . 1 . 2]" 1
793 1 95 ARG QG 1 100 ASN H 5.000 . 6.000 3.702 2.932 4.128 . 0 0 "[ . 1 . 2]" 1
794 1 95 ARG H 1 95 ARG QG 2.900 . 3.900 2.604 2.172 3.401 . 0 0 "[ . 1 . 2]" 1
795 1 95 ARG QG 1 96 THR H 5.000 . 6.000 3.917 3.491 4.282 . 0 0 "[ . 1 . 2]" 1
796 1 95 ARG QG 1 97 ASP H 5.000 . 6.000 4.033 3.040 4.610 . 0 0 "[ . 1 . 2]" 1
797 1 95 ARG H 1 100 ASN H 3.500 . 3.500 3.120 2.876 3.492 . 0 0 "[ . 1 . 2]" 1
798 1 95 ARG H 1 96 THR H 5.000 . 5.000 4.516 4.507 4.545 . 0 0 "[ . 1 . 2]" 1
799 1 95 ARG H 1 99 GLY H 5.000 . 5.000 4.514 4.243 5.023 0.023 14 0 "[ . 1 . 2]" 1
800 1 96 THR H 1 96 THR HA 2.900 . 2.900 2.931 2.906 2.971 0.071 15 0 "[ . 1 . 2]" 1
801 1 96 THR HA 1 97 ASP H 2.900 . 2.900 3.321 3.274 3.344 0.444 19 0 "[ . 1 . 2]" 1
802 1 96 THR HA 1 98 ASN H 5.000 . 5.000 4.430 3.984 4.634 . 0 0 "[ . 1 . 2]" 1
803 1 96 THR HA 1 99 GLY H 3.500 . 3.500 3.501 3.256 3.581 0.081 20 0 "[ . 1 . 2]" 1
804 1 96 THR H 1 96 THR HB 3.500 . 3.500 3.431 3.290 3.501 0.001 19 0 "[ . 1 . 2]" 1
805 1 96 THR HB 1 97 ASP H 3.500 . 3.500 3.700 3.646 3.748 0.248 5 0 "[ . 1 . 2]" 1
806 1 96 THR H 1 96 THR MG 2.900 . 4.400 3.057 2.845 3.318 . 0 0 "[ . 1 . 2]" 1
807 1 96 THR MG 1 97 ASP H 3.500 . 5.000 4.304 4.254 4.364 . 0 0 "[ . 1 . 2]" 1
808 1 96 THR H 1 97 ASP H 2.900 . 2.900 2.426 2.261 2.531 . 0 0 "[ . 1 . 2]" 1
809 1 97 ASP H 1 97 ASP HA 2.900 . 2.900 2.967 2.946 2.990 0.090 12 0 "[ . 1 . 2]" 1
810 1 97 ASP HA 1 98 ASN H 3.500 . 3.500 3.575 3.500 3.600 0.100 1 0 "[ . 1 . 2]" 1
811 1 97 ASP H 1 97 ASP QB 2.900 . 3.500 2.353 2.240 2.695 . 0 0 "[ . 1 . 2]" 1
812 1 97 ASP QB 1 98 ASN H 5.000 . 6.000 2.519 2.288 2.936 . 0 0 "[ . 1 . 2]" 1
813 1 97 ASP H 1 98 ASN H 2.900 . 2.900 2.430 2.243 2.591 . 0 0 "[ . 1 . 2]" 1
814 1 97 ASP H 1 99 GLY H 3.500 . 3.500 3.280 3.137 3.361 . 0 0 "[ . 1 . 2]" 1
815 1 98 ASN H 1 98 ASN HA 2.900 . 2.900 3.021 3.020 3.022 0.122 12 0 "[ . 1 . 2]" 1
816 1 98 ASN HA 1 99 GLY H 3.500 . 3.500 3.245 3.175 3.316 . 0 0 "[ . 1 . 2]" 1
817 1 98 ASN H 1 98 ASN QB 3.500 . 4.100 2.629 2.528 2.741 . 0 0 "[ . 1 . 2]" 1
818 1 98 ASN QB 1 99 GLY H 5.000 . 6.000 3.519 3.377 3.644 . 0 0 "[ . 1 . 2]" 1
819 1 98 ASN H 1 100 ASN H 3.500 . 3.500 3.455 3.354 3.511 0.011 15 0 "[ . 1 . 2]" 1
820 1 98 ASN H 1 99 GLY QA 3.500 . 4.500 3.879 3.805 3.931 . 0 0 "[ . 1 . 2]" 1
821 1 98 ASN H 1 99 GLY H 2.900 . 2.900 1.959 1.800 2.083 0.000 15 0 "[ . 1 . 2]" 1
822 1 99 GLY QA 1 100 ASN H 3.500 . 4.500 2.732 2.686 2.843 . 0 0 "[ . 1 . 2]" 1
823 1 99 GLY H 1 100 ASN H 2.900 . 2.900 2.916 2.797 2.953 0.053 2 0 "[ . 1 . 2]" 1
824 1 100 ASN H 1 100 ASN HA 2.900 . 2.900 2.953 2.932 2.988 0.088 18 0 "[ . 1 . 2]" 1
825 1 100 ASN HA 1 101 GLU H 2.900 . 2.900 3.121 3.047 3.228 0.328 12 0 "[ . 1 . 2]" 1
826 1 100 ASN H 1 100 ASN QB 2.900 . 3.500 2.235 2.108 2.372 . 0 0 "[ . 1 . 2]" 1
827 1 100 ASN QB 1 101 GLU H 2.900 . 3.900 3.222 1.701 3.648 0.099 12 0 "[ . 1 . 2]" 1
828 1 100 ASN H 1 101 GLU H 3.500 . 3.500 2.974 2.702 3.741 0.241 12 0 "[ . 1 . 2]" 1
829 1 101 GLU H 1 101 GLU HA 2.900 . 2.900 2.466 2.355 2.897 . 0 0 "[ . 1 . 2]" 1
830 1 101 GLU HA 1 102 LEU H 2.900 . 2.900 2.281 2.179 2.412 . 0 0 "[ . 1 . 2]" 1
831 1 101 GLU H 1 101 GLU QB 2.900 . 3.500 3.007 2.809 3.184 . 0 0 "[ . 1 . 2]" 1
832 1 101 GLU QB 1 102 LEU H 2.900 . 3.900 2.890 2.415 3.376 . 0 0 "[ . 1 . 2]" 1
833 1 101 GLU H 1 101 GLU QG 2.900 . 3.900 3.184 2.882 3.513 . 0 0 "[ . 1 . 2]" 1
834 1 101 GLU QG 1 102 LEU H 2.900 . 3.900 3.393 3.282 3.533 . 0 0 "[ . 1 . 2]" 1
835 1 102 LEU H 1 102 LEU HA 2.900 . 2.900 2.982 2.934 3.025 0.125 16 0 "[ . 1 . 2]" 1
836 1 102 LEU HA 1 103 ASN H 2.900 . 2.900 2.216 2.190 2.238 . 0 0 "[ . 1 . 2]" 1
837 1 102 LEU H 1 102 LEU QB 3.500 . 4.100 2.741 2.555 2.864 . 0 0 "[ . 1 . 2]" 1
838 1 102 LEU QB 1 103 ASN H 5.000 . 6.000 3.826 3.698 3.975 . 0 0 "[ . 1 . 2]" 1
839 1 102 LEU H 1 102 LEU QD 3.500 . 5.200 3.902 3.819 4.026 . 0 0 "[ . 1 . 2]" 1
840 1 102 LEU QD 1 103 ASN H 2.900 . 5.300 2.474 1.975 3.223 . 0 0 "[ . 1 . 2]" 1
841 1 102 LEU QD 1 104 THR H 5.000 . 7.400 3.338 2.812 4.178 . 0 0 "[ . 1 . 2]" 1
842 1 102 LEU QD 1 118 VAL H 3.500 . 5.900 2.568 2.151 3.355 . 0 0 "[ . 1 . 2]" 1
843 1 102 LEU H 1 102 LEU HG 5.000 . 5.000 4.464 3.877 4.781 . 0 0 "[ . 1 . 2]" 1
844 1 102 LEU HG 1 103 ASN H 3.500 . 3.500 3.197 2.526 3.551 0.051 3 0 "[ . 1 . 2]" 1
845 1 102 LEU H 1 103 ASN H 5.000 . 5.000 4.160 4.013 4.351 . 0 0 "[ . 1 . 2]" 1
846 1 102 LEU H 1 119 TYR QD 5.000 . 7.000 6.164 5.381 6.397 . 0 0 "[ . 1 . 2]" 1
847 1 103 ASN H 1 103 ASN HA 2.900 . 2.900 3.029 3.018 3.034 0.134 1 0 "[ . 1 . 2]" 1
848 1 103 ASN HA 1 104 THR H 2.900 . 2.900 2.208 2.188 2.362 . 0 0 "[ . 1 . 2]" 1
849 1 103 ASN H 1 103 ASN QB 2.900 . 3.500 2.492 2.239 2.992 . 0 0 "[ . 1 . 2]" 1
850 1 103 ASN QB 1 104 THR H 5.000 . 6.000 3.628 2.857 3.951 . 0 0 "[ . 1 . 2]" 1
851 1 103 ASN QB 1 118 VAL H 5.000 . 6.000 3.543 3.206 3.722 . 0 0 "[ . 1 . 2]" 1
852 1 103 ASN H 1 104 THR H 5.000 . 5.000 4.322 4.261 4.599 . 0 0 "[ . 1 . 2]" 1
853 1 103 ASN H 1 118 VAL HB 3.500 . 3.500 2.877 2.714 3.301 . 0 0 "[ . 1 . 2]" 1
854 1 103 ASN H 1 118 VAL QG 3.500 . 5.900 3.674 3.580 3.887 . 0 0 "[ . 1 . 2]" 1
855 1 103 ASN H 1 118 VAL H 2.900 . 2.900 2.935 2.902 3.004 0.104 8 0 "[ . 1 . 2]" 1
856 1 103 ASN H 1 119 TYR HA 5.000 . 5.000 3.767 3.693 3.864 . 0 0 "[ . 1 . 2]" 1
857 1 103 ASN H 1 119 TYR QD 3.500 . 5.500 4.710 4.483 4.853 . 0 0 "[ . 1 . 2]" 1
858 1 104 THR H 1 104 THR HA 2.900 . 2.900 3.022 2.957 3.028 0.128 6 0 "[ . 1 . 2]" 1
859 1 104 THR HA 1 105 VAL H 2.900 . 2.900 2.515 2.482 2.534 . 0 0 "[ . 1 . 2]" 1
860 1 104 THR HA 1 116 THR H 5.000 . 5.000 4.934 4.908 4.982 . 0 0 "[ . 1 . 2]" 1
861 1 104 THR HA 1 118 VAL H 2.900 . 2.900 2.971 2.915 3.033 0.133 5 0 "[ . 1 . 2]" 1
862 1 104 THR H 1 104 THR HB 3.500 . 3.500 3.275 3.192 3.577 0.077 8 0 "[ . 1 . 2]" 1
863 1 104 THR HB 1 105 VAL H 3.500 . 3.500 3.543 3.535 3.557 0.057 17 0 "[ . 1 . 2]" 1
864 1 104 THR HB 1 118 VAL H 3.500 . 3.500 3.514 3.474 3.569 0.069 8 0 "[ . 1 . 2]" 1
865 1 104 THR H 1 104 THR MG 2.900 . 4.400 2.077 2.022 2.392 . 0 0 "[ . 1 . 2]" 1
866 1 104 THR MG 1 105 VAL H 3.500 . 5.000 3.419 3.390 3.447 . 0 0 "[ . 1 . 2]" 1
867 1 104 THR MG 1 118 VAL H 5.000 . 6.500 4.526 4.481 4.575 . 0 0 "[ . 1 . 2]" 1
868 1 104 THR H 1 105 VAL H 5.000 . 5.000 4.500 4.450 4.514 . 0 0 "[ . 1 . 2]" 1
869 1 105 VAL H 1 105 VAL HA 2.900 . 2.900 2.993 2.987 3.002 0.102 12 0 "[ . 1 . 2]" 1
870 1 105 VAL HA 1 106 ARG H 2.900 . 2.900 2.381 2.309 2.458 . 0 0 "[ . 1 . 2]" 1
871 1 105 VAL H 1 105 VAL HB 2.900 . 2.900 2.863 2.745 2.920 0.020 14 0 "[ . 1 . 2]" 1
872 1 105 VAL HB 1 106 ARG H 5.000 . 5.000 3.804 3.633 4.029 . 0 0 "[ . 1 . 2]" 1
873 1 105 VAL HB 1 116 THR H 3.500 . 3.500 3.403 3.113 3.488 . 0 0 "[ . 1 . 2]" 1
874 1 105 VAL H 1 105 VAL QG 2.900 . 4.600 2.919 2.790 3.121 . 0 0 "[ . 1 . 2]" 1
875 1 105 VAL QG 1 106 ARG H 2.900 . 5.300 1.964 1.702 2.235 0.098 17 0 "[ . 1 . 2]" 1
876 1 105 VAL QG 1 116 THR H 3.500 . 5.900 3.893 3.709 4.026 . 0 0 "[ . 1 . 2]" 1
877 1 105 VAL H 1 106 ARG H 5.000 . 5.000 4.437 4.404 4.462 . 0 0 "[ . 1 . 2]" 1
878 1 105 VAL H 1 115 GLN HA 5.000 . 5.000 4.165 4.125 4.219 . 0 0 "[ . 1 . 2]" 1
879 1 105 VAL H 1 115 GLN QG 5.000 . 6.000 3.748 3.412 4.889 . 0 0 "[ . 1 . 2]" 1
880 1 105 VAL H 1 116 THR H 2.900 . 2.900 2.885 2.869 2.906 0.006 12 0 "[ . 1 . 2]" 1
881 1 105 VAL H 1 117 TYR HA 3.500 . 3.500 3.495 3.452 3.520 0.020 15 0 "[ . 1 . 2]" 1
882 1 106 ARG HA 1 107 GLU H 2.900 . 2.900 2.208 2.187 2.227 . 0 0 "[ . 1 . 2]" 1
883 1 106 ARG H 1 106 ARG QB 3.500 . 4.100 2.535 2.450 2.647 . 0 0 "[ . 1 . 2]" 1
884 1 106 ARG QB 1 107 GLU H 5.000 . 6.000 3.499 3.123 3.734 . 0 0 "[ . 1 . 2]" 1
885 1 107 GLU HA 1 108 ILE H 2.900 . 2.900 2.395 2.382 2.416 . 0 0 "[ . 1 . 2]" 1
886 1 107 GLU H 1 107 GLU QB 3.500 . 4.100 2.658 2.518 3.237 . 0 0 "[ . 1 . 2]" 1
887 1 107 GLU QB 1 108 ILE H 3.500 . 4.500 2.719 2.568 3.299 . 0 0 "[ . 1 . 2]" 1
888 1 107 GLU H 1 107 GLU QG 2.900 . 3.900 3.262 2.212 3.496 . 0 0 "[ . 1 . 2]" 1
889 1 107 GLU QG 1 108 ILE H 3.500 . 4.500 3.488 2.038 4.049 . 0 0 "[ . 1 . 2]" 1
890 1 107 GLU QG 1 114 VAL H 5.000 . 6.000 4.558 2.450 5.191 . 0 0 "[ . 1 . 2]" 1
891 1 107 GLU H 1 113 LEU QD 3.500 . 5.900 3.386 2.692 3.767 . 0 0 "[ . 1 . 2]" 1
892 1 107 GLU H 1 113 LEU HG 5.000 . 5.000 3.705 3.250 4.362 . 0 0 "[ . 1 . 2]" 1
893 1 107 GLU H 1 114 VAL H 2.900 . 2.900 2.938 2.911 2.989 0.089 14 0 "[ . 1 . 2]" 1
894 1 107 GLU H 1 115 GLN HA 3.500 . 3.500 3.521 3.492 3.559 0.059 14 0 "[ . 1 . 2]" 1
895 1 108 ILE HA 1 109 ILE H 2.900 . 2.900 2.348 2.311 2.366 . 0 0 "[ . 1 . 2]" 1
896 1 108 ILE HA 1 112 GLU H 5.000 . 5.000 4.048 3.923 4.376 . 0 0 "[ . 1 . 2]" 1
897 1 108 ILE HA 1 114 VAL H 3.500 . 3.500 3.208 3.029 3.336 . 0 0 "[ . 1 . 2]" 1
898 1 108 ILE H 1 108 ILE HB 2.900 . 2.900 2.740 2.629 2.939 0.039 3 0 "[ . 1 . 2]" 1
899 1 108 ILE HB 1 109 ILE H 5.000 . 5.000 4.417 4.351 4.451 . 0 0 "[ . 1 . 2]" 1
900 1 108 ILE H 1 108 ILE MD 3.500 . 5.000 4.162 4.080 4.280 . 0 0 "[ . 1 . 2]" 1
901 1 108 ILE MD 1 109 ILE H 5.000 . 6.500 4.985 4.555 5.456 . 0 0 "[ . 1 . 2]" 1
902 1 108 ILE MD 1 114 VAL H 5.000 . 6.500 4.980 4.422 5.433 . 0 0 "[ . 1 . 2]" 1
903 1 108 ILE H 1 108 ILE HG12 3.500 . 3.500 2.872 2.628 3.420 . 0 0 "[ . 1 . 2]" 1
904 1 108 ILE HG12 1 109 ILE H 5.000 . 5.000 4.747 4.675 4.801 . 0 0 "[ . 1 . 2]" 1
905 1 108 ILE H 1 108 ILE HG13 3.500 . 3.500 3.203 2.603 3.568 0.068 13 0 "[ . 1 . 2]" 1
906 1 108 ILE H 1 108 ILE MG 2.900 . 4.400 3.894 3.860 3.926 . 0 0 "[ . 1 . 2]" 1
907 1 108 ILE MG 1 109 ILE H 2.900 . 4.400 3.629 3.576 3.657 . 0 0 "[ . 1 . 2]" 1
908 1 108 ILE MG 1 112 GLU H 3.500 . 5.000 3.222 2.980 3.707 . 0 0 "[ . 1 . 2]" 1
909 1 108 ILE MG 1 114 VAL H 5.000 . 6.500 4.817 4.471 4.983 . 0 0 "[ . 1 . 2]" 1
910 1 108 ILE H 1 109 ILE H 3.500 . 3.500 3.683 3.641 3.711 0.211 14 0 "[ . 1 . 2]" 1
911 1 108 ILE H 1 110 GLY H 5.000 . 5.000 5.142 5.086 5.182 0.182 16 0 "[ . 1 . 2]" 1
912 1 111 ASP H 1 112 GLU H 2.900 . 2.900 2.479 2.395 2.629 . 0 0 "[ . 1 . 2]" 1
913 1 109 ILE HA 1 110 GLY H 2.900 . 2.900 2.260 2.252 2.266 . 0 0 "[ . 1 . 2]" 1
914 1 109 ILE H 1 109 ILE HB 2.900 . 2.900 2.363 2.270 2.682 . 0 0 "[ . 1 . 2]" 1
915 1 109 ILE HB 1 110 GLY H 5.000 . 5.000 4.556 4.412 4.598 . 0 0 "[ . 1 . 2]" 1
916 1 109 ILE HB 1 112 GLU H 5.000 . 5.000 3.403 3.070 3.541 . 0 0 "[ . 1 . 2]" 1
917 1 109 ILE H 1 109 ILE MD 3.500 . 5.000 3.538 1.603 3.925 0.197 13 0 "[ . 1 . 2]" 1
918 1 109 ILE H 1 109 ILE HG12 5.000 . 5.000 3.471 1.816 3.906 . 0 0 "[ . 1 . 2]" 1
919 1 109 ILE H 1 109 ILE HG13 3.500 . 3.500 2.729 2.043 3.607 0.107 13 0 "[ . 1 . 2]" 1
920 1 109 ILE MG 1 110 GLY H 3.500 . 5.000 3.393 3.312 3.479 . 0 0 "[ . 1 . 2]" 1
921 1 109 ILE H 1 110 GLY H 5.000 . 5.000 4.205 4.185 4.217 . 0 0 "[ . 1 . 2]" 1
922 1 109 ILE H 1 112 GLU H 3.500 . 3.500 3.498 3.429 3.550 0.050 14 0 "[ . 1 . 2]" 1
923 1 109 ILE H 1 113 LEU HA 5.000 . 5.000 3.409 3.032 3.692 . 0 0 "[ . 1 . 2]" 1
924 1 109 ILE H 1 114 VAL QG 3.500 . 5.900 2.724 2.281 3.749 . 0 0 "[ . 1 . 2]" 1
925 1 109 ILE H 1 114 VAL H 3.500 . 3.500 3.247 3.071 3.446 . 0 0 "[ . 1 . 2]" 1
926 1 110 GLY QA 1 111 ASP H 2.900 . 3.900 2.377 2.352 2.429 . 0 0 "[ . 1 . 2]" 1
927 1 110 GLY QA 1 112 GLU H 3.500 . 4.500 3.942 3.904 4.017 . 0 0 "[ . 1 . 2]" 1
928 1 111 ASP H 1 111 ASP HA 2.900 . 2.900 3.024 3.022 3.027 0.127 9 0 "[ . 1 . 2]" 1
929 1 111 ASP HA 1 112 GLU H 2.900 . 2.900 2.991 2.984 3.004 0.104 16 0 "[ . 1 . 2]" 1
930 1 111 ASP H 1 111 ASP QB 2.900 . 3.500 2.783 2.491 3.193 . 0 0 "[ . 1 . 2]" 1
931 1 111 ASP QB 1 112 GLU H 3.500 . 4.500 3.855 3.772 4.050 . 0 0 "[ . 1 . 2]" 1
932 1 111 ASP H 1 112 GLU QG 5.000 . 6.000 2.923 2.393 3.895 . 0 0 "[ . 1 . 2]" 1
933 1 112 GLU H 1 112 GLU HA 2.900 . 2.900 3.014 2.994 3.024 0.124 7 0 "[ . 1 . 2]" 1
934 1 112 GLU HA 1 113 LEU H 2.900 . 2.900 2.275 2.220 2.331 . 0 0 "[ . 1 . 2]" 1
935 1 112 GLU HA 1 128 PHE H 5.000 . 5.000 4.393 4.222 4.578 . 0 0 "[ . 1 . 2]" 1
936 1 112 GLU H 1 112 GLU QB 2.900 . 3.500 2.847 2.531 3.128 . 0 0 "[ . 1 . 2]" 1
937 1 112 GLU QB 1 113 LEU H 3.500 . 4.500 3.060 2.854 3.282 . 0 0 "[ . 1 . 2]" 1
938 1 112 GLU H 1 112 GLU QG 2.900 . 3.900 2.767 2.358 3.487 . 0 0 "[ . 1 . 2]" 1
939 1 112 GLU QG 1 113 LEU H 5.000 . 6.000 4.249 3.700 4.570 . 0 0 "[ . 1 . 2]" 1
940 1 112 GLU H 1 127 ILE MG 5.000 . 6.500 5.103 4.924 5.359 . 0 0 "[ . 1 . 2]" 1
941 1 113 LEU HA 1 114 VAL H 2.900 . 2.900 2.191 2.176 2.226 . 0 0 "[ . 1 . 2]" 1
942 1 113 LEU H 1 113 LEU QB 3.500 . 4.100 2.408 2.346 2.448 . 0 0 "[ . 1 . 2]" 1
943 1 113 LEU QB 1 114 VAL H 5.000 . 6.000 3.902 3.829 3.947 . 0 0 "[ . 1 . 2]" 1
944 1 113 LEU QD 1 114 VAL H 2.900 . 5.300 3.258 2.928 3.743 . 0 0 "[ . 1 . 2]" 1
945 1 113 LEU QD 1 128 PHE H 5.000 . 7.400 4.002 3.584 4.231 . 0 0 "[ . 1 . 2]" 1
946 1 113 LEU H 1 113 LEU HG 5.000 . 5.000 4.462 4.373 4.543 . 0 0 "[ . 1 . 2]" 1
947 1 113 LEU HG 1 114 VAL H 3.500 . 3.500 3.167 2.966 3.525 0.025 17 0 "[ . 1 . 2]" 1
948 1 113 LEU H 1 114 VAL H 5.000 . 5.000 4.373 4.308 4.426 . 0 0 "[ . 1 . 2]" 1
949 1 113 LEU H 1 127 ILE MG 5.000 . 6.500 3.413 3.086 3.683 . 0 0 "[ . 1 . 2]" 1
950 1 113 LEU H 1 128 PHE QB 5.000 . 6.000 2.443 2.276 2.572 . 0 0 "[ . 1 . 2]" 1
951 1 113 LEU H 1 128 PHE H 3.500 . 3.500 2.529 2.444 2.592 . 0 0 "[ . 1 . 2]" 1
952 1 113 LEU H 1 129 LYS HA 5.000 . 5.000 3.600 3.534 3.734 . 0 0 "[ . 1 . 2]" 1
953 1 114 VAL HA 1 115 GLN H 2.900 . 2.900 2.183 2.143 2.208 . 0 0 "[ . 1 . 2]" 1
954 1 114 VAL HA 1 126 ARG H 5.000 . 5.000 4.208 4.050 4.380 . 0 0 "[ . 1 . 2]" 1
955 1 114 VAL HA 1 128 PHE H 3.500 . 3.500 3.562 3.526 3.607 0.107 16 0 "[ . 1 . 2]" 1
956 1 114 VAL H 1 114 VAL HB 2.900 . 2.900 2.638 2.302 2.843 . 0 0 "[ . 1 . 2]" 1
957 1 114 VAL HB 1 115 GLN H 5.000 . 5.000 4.321 4.134 4.513 . 0 0 "[ . 1 . 2]" 1
958 1 114 VAL H 1 114 VAL QG 2.900 . 4.600 2.322 2.056 2.904 . 0 0 "[ . 1 . 2]" 1
959 1 114 VAL QG 1 115 GLN H 2.900 . 5.300 3.026 2.817 3.121 . 0 0 "[ . 1 . 2]" 1
960 1 114 VAL QG 1 126 ARG H 3.500 . 5.900 3.505 3.277 3.715 . 0 0 "[ . 1 . 2]" 1
961 1 114 VAL QG 1 128 PHE H 5.000 . 7.400 3.927 3.702 4.125 . 0 0 "[ . 1 . 2]" 1
962 1 115 GLN HA 1 116 THR H 2.900 . 2.900 2.221 2.207 2.236 . 0 0 "[ . 1 . 2]" 1
963 1 115 GLN H 1 115 GLN QB 3.500 . 4.100 2.454 2.295 2.541 . 0 0 "[ . 1 . 2]" 1
964 1 115 GLN QB 1 126 ARG H 5.000 . 6.000 3.648 3.497 3.764 . 0 0 "[ . 1 . 2]" 1
965 1 115 GLN QG 1 116 THR H 3.500 . 4.500 3.356 3.176 4.021 . 0 0 "[ . 1 . 2]" 1
966 1 115 GLN H 1 116 THR H 5.000 . 5.000 4.197 4.088 4.287 . 0 0 "[ . 1 . 2]" 1
967 1 115 GLN H 1 126 ARG H 2.900 . 2.900 2.941 2.905 2.966 0.066 1 0 "[ . 1 . 2]" 1
968 1 115 GLN H 1 127 ILE HA 3.500 . 3.500 3.278 2.957 3.490 . 0 0 "[ . 1 . 2]" 1
969 1 115 GLN H 1 127 ILE HG12 5.000 . 5.000 4.887 4.592 5.026 0.026 14 0 "[ . 1 . 2]" 1
970 1 115 GLN H 1 128 PHE QD 5.000 . 7.000 5.255 5.032 5.378 . 0 0 "[ . 1 . 2]" 1
971 1 115 GLN H 1 128 PHE QE 5.000 . 7.000 4.880 4.543 5.123 . 0 0 "[ . 1 . 2]" 1
972 1 115 GLN H 1 128 PHE H 5.000 . 5.000 4.454 4.338 4.602 . 0 0 "[ . 1 . 2]" 1
973 1 116 THR HA 1 117 TYR H 2.900 . 2.900 2.246 2.230 2.266 . 0 0 "[ . 1 . 2]" 1
974 1 116 THR HA 1 124 ALA H 5.000 . 5.000 4.522 4.423 4.652 . 0 0 "[ . 1 . 2]" 1
975 1 116 THR HA 1 125 LYS H 5.000 . 5.000 4.693 4.635 4.765 . 0 0 "[ . 1 . 2]" 1
976 1 116 THR HA 1 126 ARG H 3.500 . 3.500 3.186 3.074 3.318 . 0 0 "[ . 1 . 2]" 1
977 1 116 THR H 1 116 THR HB 2.900 . 2.900 2.905 2.854 2.934 0.034 12 0 "[ . 1 . 2]" 1
978 1 116 THR HB 1 117 TYR H 3.500 . 3.500 3.621 3.580 3.645 0.145 6 0 "[ . 1 . 2]" 1
979 1 116 THR H 1 116 THR MG 3.500 . 5.000 3.837 3.810 3.853 . 0 0 "[ . 1 . 2]" 1
980 1 116 THR MG 1 117 TYR H 2.900 . 4.400 2.340 2.197 2.441 . 0 0 "[ . 1 . 2]" 1
981 1 116 THR MG 1 118 VAL H 5.000 . 6.500 5.202 5.092 5.231 . 0 0 "[ . 1 . 2]" 1
982 1 116 THR MG 1 124 ALA H 3.500 . 5.000 3.155 3.028 3.379 . 0 0 "[ . 1 . 2]" 1
983 1 116 THR MG 1 126 ARG H 5.000 . 6.500 3.989 3.810 4.260 . 0 0 "[ . 1 . 2]" 1
984 1 117 TYR HA 1 118 VAL H 2.900 . 2.900 2.246 2.194 2.301 . 0 0 "[ . 1 . 2]" 1
985 1 117 TYR H 1 117 TYR QB 3.500 . 4.100 2.915 2.714 3.057 . 0 0 "[ . 1 . 2]" 1
986 1 117 TYR QB 1 118 VAL H 3.500 . 4.500 2.706 2.520 2.885 . 0 0 "[ . 1 . 2]" 1
987 1 117 TYR QB 1 124 ALA H 3.500 . 4.500 3.283 2.728 3.638 . 0 0 "[ . 1 . 2]" 1
988 1 117 TYR H 1 117 TYR HD1 2.900 . 2.900 1.777 1.726 1.929 0.074 15 0 "[ . 1 . 2]" 1
989 1 117 TYR HD1 1 118 VAL H 5.000 . 5.000 5.297 5.202 5.340 0.340 2 0 "[ . 1 . 2]" 1
990 1 117 TYR HD1 1 124 ALA H 3.500 . 3.500 3.370 2.943 3.580 0.080 2 0 "[ . 1 . 2]" 1
991 1 117 TYR HD1 1 125 LYS H 5.000 . 5.000 4.548 4.285 4.770 . 0 0 "[ . 1 . 2]" 1
992 1 117 TYR HD1 1 126 ARG H 5.000 . 5.000 4.605 4.281 4.982 . 0 0 "[ . 1 . 2]" 1
993 1 117 TYR HE1 1 126 ARG H 3.500 . 3.500 3.217 2.786 3.485 . 0 0 "[ . 1 . 2]" 1
994 1 117 TYR H 1 118 VAL H 5.000 . 5.000 4.476 4.437 4.503 . 0 0 "[ . 1 . 2]" 1
995 1 117 TYR H 1 123 GLU HA 5.000 . 5.000 4.187 4.080 4.288 . 0 0 "[ . 1 . 2]" 1
996 1 117 TYR H 1 124 ALA MB 3.500 . 5.000 3.286 3.123 3.404 . 0 0 "[ . 1 . 2]" 1
997 1 117 TYR H 1 124 ALA H 2.900 . 2.900 2.645 2.430 2.756 . 0 0 "[ . 1 . 2]" 1
998 1 117 TYR H 1 125 LYS HA 3.500 . 3.500 3.514 3.431 3.559 0.059 16 0 "[ . 1 . 2]" 1
999 1 117 TYR H 1 125 LYS QG 5.000 . 6.000 4.821 4.301 5.084 . 0 0 "[ . 1 . 2]" 1
1000 1 117 TYR H 1 126 ARG H 5.000 . 5.000 5.019 4.989 5.049 0.049 3 0 "[ . 1 . 2]" 1
1001 1 118 VAL H 1 118 VAL HA 2.900 . 2.900 3.026 3.021 3.029 0.129 10 0 "[ . 1 . 2]" 1
1002 1 118 VAL HA 1 119 TYR H 2.900 . 2.900 2.256 2.241 2.276 . 0 0 "[ . 1 . 2]" 1
1003 1 118 VAL HA 1 122 VAL H 3.500 . 3.500 3.746 3.722 3.770 0.270 18 0 "[ . 1 . 2]" 1
1004 1 118 VAL HA 1 124 ALA H 3.500 . 3.500 3.548 3.513 3.584 0.084 2 0 "[ . 1 . 2]" 1
1005 1 118 VAL H 1 118 VAL HB 2.900 . 2.900 2.785 2.724 2.864 . 0 0 "[ . 1 . 2]" 1
1006 1 118 VAL HB 1 119 TYR H 3.500 . 3.500 3.709 3.676 3.736 0.236 2 0 "[ . 1 . 2]" 1
1007 1 118 VAL H 1 118 VAL QG 2.900 . 4.600 2.477 2.337 2.644 . 0 0 "[ . 1 . 2]" 1
1008 1 118 VAL QG 1 119 TYR H 2.900 . 5.300 1.862 1.823 1.917 . 0 0 "[ . 1 . 2]" 1
1009 1 118 VAL QG 1 120 GLU H 3.500 . 5.900 3.912 3.866 3.964 . 0 0 "[ . 1 . 2]" 1
1010 1 118 VAL H 1 119 TYR H 5.000 . 5.000 4.492 4.442 4.527 . 0 0 "[ . 1 . 2]" 1
1011 1 119 TYR HA 1 120 GLU H 2.900 . 2.900 2.128 2.101 2.137 . 0 0 "[ . 1 . 2]" 1
1012 1 119 TYR HA 1 121 GLY H 5.000 . 5.000 3.687 3.591 3.731 . 0 0 "[ . 1 . 2]" 1
1013 1 119 TYR H 1 119 TYR QB 3.500 . 4.100 2.727 2.695 2.760 . 0 0 "[ . 1 . 2]" 1
1014 1 119 TYR QB 1 120 GLU H 5.000 . 6.000 3.822 3.802 3.832 . 0 0 "[ . 1 . 2]" 1
1015 1 119 TYR H 1 119 TYR HD1 5.000 . 5.000 5.089 5.064 5.108 0.108 3 0 "[ . 1 . 2]" 1
1016 1 119 TYR HD1 1 120 GLU H 3.500 . 3.500 3.560 3.508 3.645 0.145 12 0 "[ . 1 . 2]" 1
1017 1 119 TYR H 1 120 GLU H 5.000 . 5.000 4.003 3.972 4.024 . 0 0 "[ . 1 . 2]" 1
1018 1 119 TYR H 1 121 GLY H 5.000 . 5.000 2.949 2.914 2.973 . 0 0 "[ . 1 . 2]" 1
1019 1 119 TYR H 1 122 VAL HB 3.500 . 3.500 3.513 3.494 3.532 0.032 12 0 "[ . 1 . 2]" 1
1020 1 119 TYR H 1 122 VAL H 2.900 . 2.900 1.903 1.892 1.923 . 0 0 "[ . 1 . 2]" 1
1021 1 119 TYR H 1 123 GLU HA 3.500 . 3.500 3.724 3.693 3.739 0.239 10 0 "[ . 1 . 2]" 1
1022 1 120 GLU H 1 120 GLU HA 2.900 . 2.900 2.353 2.347 2.357 . 0 0 "[ . 1 . 2]" 1
1023 1 120 GLU HA 1 121 GLY H 2.900 . 2.900 3.100 3.086 3.131 0.231 12 0 "[ . 1 . 2]" 1
1024 1 120 GLU HA 1 122 VAL H 5.000 . 5.000 4.802 4.796 4.813 . 0 0 "[ . 1 . 2]" 1
1025 1 120 GLU H 1 120 GLU QB 3.500 . 4.100 3.232 3.178 3.320 . 0 0 "[ . 1 . 2]" 1
1026 1 120 GLU QB 1 121 GLY H 5.000 . 6.000 3.661 3.608 3.687 . 0 0 "[ . 1 . 2]" 1
1027 1 120 GLU QB 1 122 VAL H 5.000 . 6.000 4.334 4.224 4.395 . 0 0 "[ . 1 . 2]" 1
1028 1 120 GLU H 1 120 GLU QG 2.900 . 3.900 2.661 2.357 3.558 . 0 0 "[ . 1 . 2]" 1
1029 1 120 GLU QG 1 121 GLY H 5.000 . 6.000 4.541 4.415 4.961 . 0 0 "[ . 1 . 2]" 1
1030 1 120 GLU H 1 121 GLY H 2.900 . 2.900 2.850 2.789 2.887 . 0 0 "[ . 1 . 2]" 1
1031 1 120 GLU H 1 122 VAL H 5.000 . 5.000 4.132 4.105 4.155 . 0 0 "[ . 1 . 2]" 1
1032 1 121 GLY QA 1 122 VAL H 2.900 . 3.900 2.829 2.823 2.835 . 0 0 "[ . 1 . 2]" 1
1033 1 121 GLY H 1 122 VAL QG 2.900 . 5.300 3.830 3.785 3.858 . 0 0 "[ . 1 . 2]" 1
1034 1 121 GLY H 1 122 VAL H 2.900 . 2.900 1.914 1.905 1.923 . 0 0 "[ . 1 . 2]" 1
1035 1 122 VAL H 1 122 VAL HA 2.900 . 2.900 3.018 3.016 3.020 0.120 15 0 "[ . 1 . 2]" 1
1036 1 122 VAL HA 1 123 GLU H 2.900 . 2.900 2.575 2.561 2.584 . 0 0 "[ . 1 . 2]" 1
1037 1 122 VAL H 1 122 VAL HB 2.900 . 2.900 2.759 2.742 2.777 . 0 0 "[ . 1 . 2]" 1
1038 1 122 VAL HB 1 123 GLU H 3.500 . 3.500 3.866 3.857 3.875 0.375 15 0 "[ . 1 . 2]" 1
1039 1 122 VAL H 1 122 VAL QG 2.900 . 4.600 2.530 2.502 2.562 . 0 0 "[ . 1 . 2]" 1
1040 1 122 VAL QG 1 123 GLU H 2.900 . 5.300 1.683 1.667 1.708 0.133 10 0 "[ . 1 . 2]" 1
1041 1 122 VAL QG 1 124 ALA H 2.900 . 5.300 3.508 3.244 3.614 . 0 0 "[ . 1 . 2]" 1
1042 1 123 GLU H 1 123 GLU HA 2.900 . 2.900 2.967 2.964 2.975 0.075 8 0 "[ . 1 . 2]" 1
1043 1 123 GLU HA 1 124 ALA H 2.900 . 2.900 2.161 2.152 2.184 . 0 0 "[ . 1 . 2]" 1
1044 1 123 GLU H 1 123 GLU QB 2.900 . 3.500 2.830 2.748 3.165 . 0 0 "[ . 1 . 2]" 1
1045 1 123 GLU QB 1 124 ALA H 3.500 . 4.500 3.591 3.313 3.894 . 0 0 "[ . 1 . 2]" 1
1046 1 123 GLU H 1 123 GLU QG 3.500 . 4.500 3.714 2.383 4.158 . 0 0 "[ . 1 . 2]" 1
1047 1 123 GLU QG 1 124 ALA H 3.500 . 4.500 3.361 2.622 4.080 . 0 0 "[ . 1 . 2]" 1
1048 1 123 GLU H 1 124 ALA H 5.000 . 5.000 4.106 3.956 4.178 . 0 0 "[ . 1 . 2]" 1
1049 1 124 ALA H 1 124 ALA HA 2.900 . 2.900 3.028 3.020 3.031 0.131 20 0 "[ . 1 . 2]" 1
1050 1 124 ALA HA 1 125 LYS H 2.900 . 2.900 2.381 2.305 2.504 . 0 0 "[ . 1 . 2]" 1
1051 1 124 ALA H 1 124 ALA MB 2.900 . 4.000 2.338 2.269 2.407 . 0 0 "[ . 1 . 2]" 1
1052 1 124 ALA MB 1 125 LYS H 2.900 . 4.400 2.820 2.523 3.035 . 0 0 "[ . 1 . 2]" 1
1053 1 124 ALA H 1 125 LYS H 5.000 . 5.000 4.580 4.543 4.618 . 0 0 "[ . 1 . 2]" 1
1054 1 125 LYS H 1 125 LYS HA 2.900 . 2.900 3.022 2.999 3.029 0.129 13 0 "[ . 1 . 2]" 1
1055 1 125 LYS HA 1 126 ARG H 2.900 . 2.900 2.189 2.170 2.209 . 0 0 "[ . 1 . 2]" 1
1056 1 125 LYS H 1 125 LYS QB 2.900 . 3.500 2.650 2.546 2.930 . 0 0 "[ . 1 . 2]" 1
1057 1 125 LYS QB 1 126 ARG H 2.900 . 3.900 3.559 3.081 3.621 . 0 0 "[ . 1 . 2]" 1
1058 1 125 LYS H 1 125 LYS QD 5.000 . 6.000 4.935 4.407 5.154 . 0 0 "[ . 1 . 2]" 1
1059 1 125 LYS H 1 125 LYS QE 5.000 . 6.000 4.884 4.439 5.153 . 0 0 "[ . 1 . 2]" 1
1060 1 125 LYS QG 1 126 ARG H 5.000 . 6.000 2.530 2.176 4.509 . 0 0 "[ . 1 . 2]" 1
1061 1 125 LYS H 1 126 ARG H 5.000 . 5.000 4.442 4.345 4.510 . 0 0 "[ . 1 . 2]" 1
1062 1 126 ARG HA 1 127 ILE H 2.900 . 2.900 2.214 2.202 2.226 . 0 0 "[ . 1 . 2]" 1
1063 1 126 ARG H 1 126 ARG QB 3.500 . 4.100 2.555 2.441 2.690 . 0 0 "[ . 1 . 2]" 1
1064 1 126 ARG QB 1 127 ILE H 5.000 . 6.000 3.609 3.422 3.822 . 0 0 "[ . 1 . 2]" 1
1065 1 126 ARG QG 1 127 ILE H 5.000 . 6.000 3.817 3.255 4.591 . 0 0 "[ . 1 . 2]" 1
1066 1 126 ARG H 1 127 ILE H 5.000 . 5.000 4.186 4.109 4.353 . 0 0 "[ . 1 . 2]" 1
1067 1 127 ILE HA 1 128 PHE H 2.900 . 2.900 2.172 2.158 2.196 . 0 0 "[ . 1 . 2]" 1
1068 1 127 ILE H 1 127 ILE MD 2.900 . 4.400 2.965 2.032 3.330 . 0 0 "[ . 1 . 2]" 1
1069 1 127 ILE H 1 127 ILE HG12 5.000 . 5.000 3.998 3.698 4.201 . 0 0 "[ . 1 . 2]" 1
1070 1 127 ILE HG12 1 128 PHE H 5.000 . 5.000 4.911 4.754 5.075 0.075 1 0 "[ . 1 . 2]" 1
1071 1 127 ILE H 1 127 ILE HG13 3.500 . 3.500 2.564 2.167 3.197 . 0 0 "[ . 1 . 2]" 1
1072 1 127 ILE H 1 127 ILE MG 3.500 . 5.000 3.881 3.863 3.918 . 0 0 "[ . 1 . 2]" 1
1073 1 127 ILE MG 1 128 PHE H 2.900 . 4.400 2.777 2.594 2.835 . 0 0 "[ . 1 . 2]" 1
1074 1 127 ILE H 1 128 PHE H 5.000 . 5.000 4.456 4.403 4.533 . 0 0 "[ . 1 . 2]" 1
1075 1 128 PHE HA 1 129 LYS H 2.900 . 2.900 2.539 2.447 2.570 . 0 0 "[ . 1 . 2]" 1
1076 1 128 PHE H 1 128 PHE QB 3.500 . 4.100 2.604 2.545 2.702 . 0 0 "[ . 1 . 2]" 1
1077 1 128 PHE QB 1 129 LYS H 3.500 . 4.500 2.217 2.101 2.406 . 0 0 "[ . 1 . 2]" 1
1078 1 128 PHE H 1 128 PHE HD1 2.900 . 2.900 3.038 2.950 3.111 0.211 20 0 "[ . 1 . 2]" 1
1079 1 128 PHE HD1 1 129 LYS H 5.000 . 5.000 4.382 4.294 4.441 . 0 0 "[ . 1 . 2]" 1
1080 1 128 PHE H 1 128 PHE HE1 5.000 . 5.000 4.744 4.621 4.850 . 0 0 "[ . 1 . 2]" 1
1081 1 128 PHE H 1 129 LYS H 5.000 . 5.000 4.568 4.535 4.602 . 0 0 "[ . 1 . 2]" 1
1082 1 129 LYS HA 1 130 LYS H 2.900 . 2.900 2.358 2.259 2.498 . 0 0 "[ . 1 . 2]" 1
1083 1 129 LYS H 1 129 LYS QB 3.500 . 4.100 2.845 2.766 2.901 . 0 0 "[ . 1 . 2]" 1
1084 1 129 LYS QB 1 130 LYS H 2.900 . 3.900 3.436 3.236 3.609 . 0 0 "[ . 1 . 2]" 1
1085 1 129 LYS H 1 129 LYS QD 5.000 . 6.000 4.955 4.417 5.176 . 0 0 "[ . 1 . 2]" 1
1086 1 129 LYS QD 1 130 LYS H 3.500 . 4.500 3.774 1.722 4.095 0.078 17 0 "[ . 1 . 2]" 1
1087 1 129 LYS QG 1 130 LYS H 5.000 . 6.000 1.939 1.696 2.548 0.104 19 0 "[ . 1 . 2]" 1
1088 1 129 LYS H 1 130 LYS H 5.000 . 5.000 4.376 4.314 4.430 . 0 0 "[ . 1 . 2]" 1
1089 1 130 LYS H 1 130 LYS HA 2.900 . 2.900 2.819 2.810 2.868 . 0 0 "[ . 1 . 2]" 1
1090 1 130 LYS HA 1 131 ASP H 2.900 . 2.900 2.208 2.190 2.239 . 0 0 "[ . 1 . 2]" 1
1091 1 130 LYS H 1 130 LYS QB 2.900 . 3.500 2.454 2.070 2.745 . 0 0 "[ . 1 . 2]" 1
1092 1 130 LYS QB 1 131 ASP H 2.900 . 3.900 3.211 3.037 3.451 . 0 0 "[ . 1 . 2]" 1
1093 1 130 LYS H 1 130 LYS QD 5.000 . 6.000 3.977 3.396 4.563 . 0 0 "[ . 1 . 2]" 1
1094 1 130 LYS QD 1 131 ASP H 5.000 . 6.000 4.724 2.319 5.375 . 0 0 "[ . 1 . 2]" 1
1095 1 130 LYS H 1 130 LYS QG 2.900 . 3.900 2.334 1.695 3.470 0.105 3 0 "[ . 1 . 2]" 1
1096 1 130 LYS QG 1 131 ASP H 5.000 . 6.000 3.970 2.819 4.394 . 0 0 "[ . 1 . 2]" 1
1097 1 130 LYS H 1 131 ASP H 5.000 . 5.000 4.659 4.632 4.696 . 0 0 "[ . 1 . 2]" 1
1098 1 131 ASP H 1 131 ASP HA 2.900 . 2.900 2.888 2.784 2.973 0.073 9 0 "[ . 1 . 2]" 1
1099 1 131 ASP H 1 131 ASP QB 2.900 . 3.500 2.488 2.251 2.917 . 0 0 "[ . 1 . 2]" 1
1100 1 1 ALA MB 1 108 ILE MD 2.700 . 5.700 2.300 1.770 3.073 0.030 17 0 "[ . 1 . 2]" 1
1101 1 1 ALA MB 1 108 ILE MG 3.500 . 6.500 3.774 2.461 4.310 . 0 0 "[ . 1 . 2]" 1
1102 1 2 PHE QB 1 40 ILE MD 2.700 . 5.200 3.342 2.340 3.859 . 0 0 "[ . 1 . 2]" 1
1103 1 2 PHE QD 1 40 ILE MD 5.000 . 8.500 2.564 1.931 4.669 . 0 0 "[ . 1 . 2]" 1
1104 1 2 PHE QD 1 113 LEU QD 5.000 . 8.500 2.673 1.999 5.104 . 0 0 "[ . 1 . 2]" 1
1105 1 2 PHE QD 1 108 ILE MD 5.000 . 8.500 2.949 2.218 5.835 . 0 0 "[ . 1 . 2]" 1
1106 1 2 PHE QD 1 108 ILE MG 5.000 . 8.500 2.639 2.221 4.754 . 0 0 "[ . 1 . 2]" 1
1107 1 6 TRP HZ2 1 108 ILE MD 5.000 . 6.500 5.195 3.737 5.408 . 0 0 "[ . 1 . 2]" 1
1108 1 6 TRP HZ2 1 108 ILE MG 5.000 . 6.500 4.947 3.155 5.416 . 0 0 "[ . 1 . 2]" 1
1109 1 5 THR MG 1 37 LYS QD 2.700 . 5.200 2.808 1.990 3.899 . 0 0 "[ . 1 . 2]" 1
1110 1 5 THR MG 1 37 LYS QE 2.700 . 5.200 3.048 1.792 3.933 0.008 17 0 "[ . 1 . 2]" 1
1111 1 8 VAL QG 1 35 ASN HA 2.700 . 2.700 1.880 1.784 2.012 0.016 11 0 "[ . 1 . 2]" 1
1112 1 8 VAL QG 1 36 LEU QD 3.500 . 8.300 2.150 1.874 2.900 . 0 0 "[ . 1 . 2]" 1
1113 1 9 ASP QB 1 127 ILE MG 3.500 . 6.000 3.643 3.275 4.094 . 0 0 "[ . 1 . 2]" 1
1114 1 10 ARG QG 1 127 ILE MD 2.700 . 5.200 3.668 3.412 3.783 . 0 0 "[ . 1 . 2]" 1
1115 1 10 ARG QG 1 127 ILE MG 3.500 . 6.000 3.790 2.886 4.348 . 0 0 "[ . 1 . 2]" 1
1116 1 11 SER HA 1 127 ILE MD 2.700 . 4.200 2.729 2.173 3.135 . 0 0 "[ . 1 . 2]" 1
1117 1 13 ASN QB 1 124 ALA MB 2.700 . 5.200 3.148 2.922 3.381 . 0 0 "[ . 1 . 2]" 1
1118 1 14 TYR HA 1 124 ALA MB 2.700 . 4.200 2.103 2.041 2.275 . 0 0 "[ . 1 . 2]" 1
1119 1 14 TYR QD 1 124 ALA MB 2.700 . 6.200 2.206 2.009 2.400 . 0 0 "[ . 1 . 2]" 1
1120 1 14 TYR QD 1 18 MET ME 2.700 . 6.200 3.735 2.251 4.718 . 0 0 "[ . 1 . 2]" 1
1121 1 14 TYR QD 1 31 ALA MB 2.700 . 6.200 2.860 2.058 3.765 . 0 0 "[ . 1 . 2]" 1
1122 1 14 TYR QD 1 32 ALA HA 3.500 . 5.500 2.681 2.380 3.132 . 0 0 "[ . 1 . 2]" 1
1123 1 14 TYR QE 1 124 ALA MB 2.700 . 6.200 3.298 2.705 3.706 . 0 0 "[ . 1 . 2]" 1
1124 1 14 TYR QE 1 18 MET ME 2.700 . 6.200 2.936 2.203 3.898 . 0 0 "[ . 1 . 2]" 1
1125 1 14 TYR QE 1 31 ALA MB 2.700 . 6.200 2.455 2.039 3.086 . 0 0 "[ . 1 . 2]" 1
1126 1 14 TYR QE 1 32 ALA HA 3.500 . 5.500 4.154 3.635 4.748 . 0 0 "[ . 1 . 2]" 1
1127 1 17 PHE QD 1 124 ALA MB 2.700 . 6.200 2.536 2.294 2.784 . 0 0 "[ . 1 . 2]" 1
1128 1 17 PHE QD 1 122 VAL QG 2.700 . 6.200 2.337 2.008 2.636 . 0 0 "[ . 1 . 2]" 1
1129 1 17 PHE QE 1 102 LEU QD 2.700 . 6.200 2.378 1.913 2.968 . 0 0 "[ . 1 . 2]" 1
1130 1 102 LEU QD 1 117 TYR QE 2.700 . 6.200 3.801 3.489 3.989 . 0 0 "[ . 1 . 2]" 1
1131 1 102 LEU QD 1 119 TYR QD 2.700 . 6.200 2.575 1.934 3.094 . 0 0 "[ . 1 . 2]" 1
1132 1 102 LEU QD 1 119 TYR QE 2.700 . 6.200 2.674 2.157 3.280 . 0 0 "[ . 1 . 2]" 1
1133 1 18 MET HA 1 23 VAL QG 2.700 . 5.100 2.552 2.205 2.831 . 0 0 "[ . 1 . 2]" 1
1134 1 18 MET ME 1 23 VAL QG 2.700 . 6.600 3.473 2.542 4.015 . 0 0 "[ . 1 . 2]" 1
1135 1 21 MET ME 1 119 TYR QE 5.000 . 8.500 3.037 2.130 4.385 . 0 0 "[ . 1 . 2]" 1
1136 1 21 MET ME 1 23 VAL QG 2.700 . 6.600 2.930 1.981 3.662 . 0 0 "[ . 1 . 2]" 1
1137 1 21 MET ME 1 72 LEU QD 2.700 . 6.600 3.138 2.346 3.703 . 0 0 "[ . 1 . 2]" 1
1138 1 21 MET ME 1 95 ARG QD 2.700 . 5.200 3.297 2.522 3.892 . 0 0 "[ . 1 . 2]" 1
1139 1 23 VAL QG 1 74 ASP QB 3.500 . 6.900 3.352 2.027 4.073 . 0 0 "[ . 1 . 2]" 1
1140 1 36 LEU QD 1 128 PHE QE 3.500 . 7.900 3.595 3.355 3.808 . 0 0 "[ . 1 . 2]" 1
1141 1 36 LEU QD 1 128 PHE HZ 2.700 . 5.100 3.681 3.385 3.786 . 0 0 "[ . 1 . 2]" 1
1142 1 36 LEU QD 1 51 GLU HA 3.500 . 5.900 3.441 3.158 3.544 . 0 0 "[ . 1 . 2]" 1
1143 1 36 LEU QD 1 51 GLU QB 2.700 . 6.100 2.893 2.241 3.784 . 0 0 "[ . 1 . 2]" 1
1144 1 36 LEU QD 1 51 GLU QG 3.500 . 6.900 2.900 2.067 3.345 . 0 0 "[ . 1 . 2]" 1
1145 1 36 LEU QD 1 53 SER HA 3.500 . 5.900 4.297 3.778 4.434 . 0 0 "[ . 1 . 2]" 1
1146 1 36 LEU QD 1 53 SER QB 2.700 . 6.100 2.991 2.401 3.786 . 0 0 "[ . 1 . 2]" 1
1147 1 38 LEU QD 1 40 ILE MD 2.700 . 6.600 3.080 2.121 3.963 . 0 0 "[ . 1 . 2]" 1
1148 1 40 ILE MD 1 49 VAL QG 2.700 . 6.600 3.243 2.431 4.043 . 0 0 "[ . 1 . 2]" 1
1149 1 82 TRP HH2 1 104 THR MG 2.700 . 6.200 3.129 2.314 3.594 . 0 0 "[ . 1 . 2]" 1
1150 1 108 ILE MG 1 113 LEU QD 2.700 . 6.600 3.029 2.156 3.418 . 0 0 "[ . 1 . 2]" 1
1151 1 108 ILE MD 1 113 LEU QD 2.700 . 6.600 2.073 1.799 2.748 0.001 6 0 "[ . 1 . 2]" 1
1152 1 113 LEU QD 1 128 PHE QB 2.700 . 5.700 3.264 3.014 3.395 . 0 0 "[ . 1 . 2]" 1
1153 1 113 LEU QD 1 128 PHE QD 2.700 . 6.600 2.234 1.957 2.482 . 0 0 "[ . 1 . 2]" 1
1154 1 40 ILE MG 1 47 PHE QD 3.500 . 7.000 3.429 2.218 4.905 . 0 0 "[ . 1 . 2]" 1
1155 1 41 THR MG 1 43 GLU QG 2.700 . 5.200 3.203 3.061 3.408 . 0 0 "[ . 1 . 2]" 1
1156 1 45 ASN HA 1 64 LEU QD 2.700 . 5.100 3.208 2.861 3.639 . 0 0 "[ . 1 . 2]" 1
1157 1 47 PHE QD 1 49 VAL QG 3.500 . 7.900 3.820 2.123 4.715 . 0 0 "[ . 1 . 2]" 1
1158 1 47 PHE QD 1 64 LEU QD 3.500 . 7.900 4.023 3.208 4.839 . 0 0 "[ . 1 . 2]" 1
1159 1 55 PHE QD 1 73 ALA MB 3.500 . 7.000 3.813 2.610 5.092 . 0 0 "[ . 1 . 2]" 1
1160 1 47 PHE QE 1 64 LEU QD 3.500 . 7.900 3.206 2.033 4.383 . 0 0 "[ . 1 . 2]" 1
1161 1 17 PHE HZ 1 21 MET ME 5.000 . 7.400 3.108 2.000 4.576 . 0 0 "[ . 1 . 2]" 1
1162 1 17 PHE HZ 1 102 LEU QD 5.000 . 7.400 2.115 1.776 2.520 0.024 13 0 "[ . 1 . 2]" 1
1163 1 47 PHE HZ 1 64 LEU QD 5.000 . 7.400 4.218 1.798 5.447 0.002 2 0 "[ . 1 . 2]" 1
1164 1 54 ALA MB 1 55 PHE QD 5.000 . 8.500 4.081 2.471 5.434 . 0 0 "[ . 1 . 2]" 1
1165 1 10 ARG QD 1 127 ILE MD 3.500 . 6.000 3.389 2.673 4.008 . 0 0 "[ . 1 . 2]" 1
1166 1 58 ILE MD 1 71 ASN QB 3.500 . 6.000 3.283 2.090 4.229 . 0 0 "[ . 1 . 2]" 1
1167 1 58 ILE MD 1 73 ALA MB 3.500 . 6.000 3.297 2.471 3.908 . 0 0 "[ . 1 . 2]" 1
1168 1 58 ILE MD 1 72 LEU HA 2.700 . 4.200 3.361 2.605 3.485 . 0 0 "[ . 1 . 2]" 1
1169 1 67 THR MG 1 79 ARG HA 3.500 . 5.000 4.047 4.006 4.119 . 0 0 "[ . 1 . 2]" 1
1170 1 67 THR MG 1 79 ARG QG 3.500 . 6.000 2.982 1.782 3.462 0.018 9 0 "[ . 1 . 2]" 1
1171 1 72 LEU QD 1 117 TYR QE 3.500 . 7.900 3.577 3.002 4.572 . 0 0 "[ . 1 . 2]" 1
1172 1 68 PHE QE 1 93 PHE QE 3.500 . 7.000 2.312 1.975 2.501 . 0 0 "[ . 1 . 2]" 1
1173 1 93 PHE QE 1 104 THR MG 3.500 . 7.000 4.468 3.917 5.139 . 0 0 "[ . 1 . 2]" 1
1174 1 104 THR MG 1 117 TYR QD 3.500 . 7.000 3.189 2.883 3.727 . 0 0 "[ . 1 . 2]" 1
1175 1 117 TYR QD 1 124 ALA MB 3.500 . 7.000 2.529 2.307 2.730 . 0 0 "[ . 1 . 2]" 1
1176 1 104 THR MG 1 117 TYR QE 3.500 . 7.000 3.949 3.642 4.522 . 0 0 "[ . 1 . 2]" 1
1177 1 117 TYR QE 1 126 ARG QB 3.500 . 7.000 2.351 2.158 2.853 . 0 0 "[ . 1 . 2]" 1
1178 1 117 TYR QE 1 126 ARG QG 3.500 . 7.000 3.223 2.078 4.245 . 0 0 "[ . 1 . 2]" 1
1179 1 117 TYR QE 1 126 ARG QD 3.500 . 7.000 3.585 2.263 4.673 . 0 0 "[ . 1 . 2]" 1
1180 1 89 LEU QD 1 106 ARG QB 3.500 . 7.900 2.885 1.980 3.222 . 0 0 "[ . 1 . 2]" 1
1181 1 89 LEU QD 1 106 ARG QD 3.500 . 7.900 3.273 2.017 4.179 . 0 0 "[ . 1 . 2]" 1
1182 1 106 ARG QB 1 113 LEU QD 3.500 . 7.900 3.346 2.579 3.829 . 0 0 "[ . 1 . 2]" 1
1183 1 106 ARG QD 1 113 LEU QD 3.500 . 7.900 2.365 1.824 3.565 . 0 0 "[ . 1 . 2]" 1
1184 1 112 GLU QB 1 127 ILE MG 2.700 . 5.200 2.106 1.945 2.345 . 0 0 "[ . 1 . 2]" 1
1185 1 112 GLU QG 1 127 ILE MG 3.500 . 6.000 3.564 2.621 4.112 . 0 0 "[ . 1 . 2]" 1
1186 1 114 VAL HA 1 127 ILE MD 5.000 . 6.500 4.594 4.035 4.950 . 0 0 "[ . 1 . 2]" 1
1187 1 125 LYS QE 1 127 ILE MD 2.700 . 5.200 2.714 1.917 3.637 . 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 124
_Distance_constraint_stats_list.Viol_count 550
_Distance_constraint_stats_list.Viol_total 475.971
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.0433
_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 SER 0.582 0.131 20 0 "[ . 1 . 2]"
1 6 TRP 0.805 0.097 14 0 "[ . 1 . 2]"
1 8 VAL 1.922 0.160 11 0 "[ . 1 . 2]"
1 9 ASP 0.165 0.074 13 0 "[ . 1 . 2]"
1 10 ARG 1.050 0.067 4 0 "[ . 1 . 2]"
1 12 GLU 0.352 0.042 2 0 "[ . 1 . 2]"
1 15 ASP 0.180 0.032 14 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PHE 0.102 0.029 17 0 "[ . 1 . 2]"
1 19 GLU 0.180 0.032 14 0 "[ . 1 . 2]"
1 20 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 MET 0.102 0.029 17 0 "[ . 1 . 2]"
1 25 ILE 0.166 0.035 10 0 "[ . 1 . 2]"
1 26 VAL 0.004 0.004 9 0 "[ . 1 . 2]"
1 27 LYS 0.010 0.010 7 0 "[ . 1 . 2]"
1 29 LYS 0.166 0.035 10 0 "[ . 1 . 2]"
1 30 LEU 0.004 0.004 9 0 "[ . 1 . 2]"
1 31 ALA 0.010 0.010 7 0 "[ . 1 . 2]"
1 36 LEU 1.922 0.160 11 0 "[ . 1 . 2]"
1 37 LYS 0.431 0.081 15 0 "[ . 1 . 2]"
1 38 LEU 0.805 0.097 14 0 "[ . 1 . 2]"
1 39 THR 1.170 0.091 16 0 "[ . 1 . 2]"
1 40 ILE 0.582 0.131 20 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.740 0.071 6 0 "[ . 1 . 2]"
1 48 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.053 0.053 17 0 "[ . 1 . 2]"
1 50 LYS 1.170 0.091 16 0 "[ . 1 . 2]"
1 51 GLU 0.196 0.024 9 0 "[ . 1 . 2]"
1 52 SER 0.431 0.081 15 0 "[ . 1 . 2]"
1 58 ILE 0.196 0.024 9 0 "[ . 1 . 2]"
1 60 CYS 0.053 0.053 17 0 "[ . 1 . 2]"
1 62 PHE 0.740 0.071 6 0 "[ . 1 . 2]"
1 68 PHE 1.775 0.117 12 0 "[ . 1 . 2]"
1 70 CYS 0.120 0.052 5 0 "[ . 1 . 2]"
1 72 LEU 0.787 0.059 8 0 "[ . 1 . 2]"
1 76 THR 0.787 0.059 8 0 "[ . 1 . 2]"
1 78 LEU 0.120 0.052 5 0 "[ . 1 . 2]"
1 79 ARG 0.292 0.043 6 0 "[ . 1 . 2]"
1 80 GLY 1.775 0.117 12 0 "[ . 1 . 2]"
1 81 THR 0.331 0.042 8 0 "[ . 1 . 2]"
1 83 SER 2.427 0.156 17 0 "[ . 1 . 2]"
1 85 GLU 0.170 0.047 1 0 "[ . 1 . 2]"
1 88 LYS 0.170 0.047 1 0 "[ . 1 . 2]"
1 89 LEU 0.891 0.053 13 0 "[ . 1 . 2]"
1 90 ILE 2.427 0.156 17 0 "[ . 1 . 2]"
1 91 GLY 0.058 0.051 8 0 "[ . 1 . 2]"
1 92 LYS 0.331 0.042 8 0 "[ . 1 . 2]"
1 93 PHE 0.259 0.050 10 0 "[ . 1 . 2]"
1 94 LYS 0.292 0.043 6 0 "[ . 1 . 2]"
1 102 LEU 0.259 0.050 10 0 "[ . 1 . 2]"
1 103 ASN 3.077 0.253 8 0 "[ . 1 . 2]"
1 104 THR 0.058 0.051 8 0 "[ . 1 . 2]"
1 105 VAL 0.919 0.080 11 0 "[ . 1 . 2]"
1 106 ARG 0.891 0.053 13 0 "[ . 1 . 2]"
1 107 GLU 0.311 0.065 7 0 "[ . 1 . 2]"
1 113 LEU 2.020 0.113 14 0 "[ . 1 . 2]"
1 114 VAL 0.311 0.065 7 0 "[ . 1 . 2]"
1 115 GLN 0.791 0.072 16 0 "[ . 1 . 2]"
1 116 THR 0.919 0.080 11 0 "[ . 1 . 2]"
1 117 TYR 0.294 0.043 14 0 "[ . 1 . 2]"
1 118 VAL 3.077 0.253 8 0 "[ . 1 . 2]"
1 119 TYR 1.348 0.058 17 0 "[ . 1 . 2]"
1 122 VAL 1.348 0.058 17 0 "[ . 1 . 2]"
1 124 ALA 0.294 0.043 14 0 "[ . 1 . 2]"
1 125 LYS 0.352 0.042 2 0 "[ . 1 . 2]"
1 126 ARG 0.791 0.072 16 0 "[ . 1 . 2]"
1 127 ILE 1.214 0.074 13 0 "[ . 1 . 2]"
1 128 PHE 2.020 0.113 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER O 1 40 ILE H 2.200 . 2.200 2.154 1.755 2.231 0.045 20 0 "[ . 1 . 2]" 2
2 1 4 SER O 1 40 ILE N 3.300 2.200 3.300 3.005 2.566 3.159 . 0 0 "[ . 1 . 2]" 2
3 1 4 SER H 1 40 ILE O 2.200 . 2.200 2.209 2.137 2.331 0.131 20 0 "[ . 1 . 2]" 2
4 1 4 SER N 1 40 ILE O 3.300 2.200 3.300 2.917 2.492 3.114 . 0 0 "[ . 1 . 2]" 2
5 1 6 TRP O 1 38 LEU H 2.200 . 2.200 1.851 1.703 2.226 0.097 14 0 "[ . 1 . 2]" 2
6 1 6 TRP O 1 38 LEU N 3.300 2.200 3.300 2.844 2.703 3.182 . 0 0 "[ . 1 . 2]" 2
7 1 6 TRP H 1 38 LEU O 2.200 . 2.200 2.161 1.907 2.231 0.031 2 0 "[ . 1 . 2]" 2
8 1 6 TRP N 1 38 LEU O 3.300 2.200 3.300 3.022 2.842 3.176 . 0 0 "[ . 1 . 2]" 2
9 1 8 VAL H 1 36 LEU O 2.200 . 2.200 2.296 2.239 2.360 0.160 11 0 "[ . 1 . 2]" 2
10 1 8 VAL N 1 36 LEU O 3.300 2.200 3.300 3.123 3.009 3.268 . 0 0 "[ . 1 . 2]" 2
11 1 9 ASP H 1 127 ILE O 2.200 . 2.200 1.881 1.726 2.005 0.074 13 0 "[ . 1 . 2]" 2
12 1 9 ASP N 1 127 ILE O 3.300 2.200 3.300 2.728 2.619 2.876 . 0 0 "[ . 1 . 2]" 2
13 1 10 ARG O 1 127 ILE H 2.200 . 2.200 1.748 1.733 1.761 0.067 4 0 "[ . 1 . 2]" 2
14 1 10 ARG O 1 127 ILE N 3.300 2.200 3.300 2.692 2.637 2.736 . 0 0 "[ . 1 . 2]" 2
15 1 10 ARG H 1 127 ILE O 2.200 . 2.200 1.903 1.813 2.013 . 0 0 "[ . 1 . 2]" 2
16 1 10 ARG N 1 127 ILE O 3.300 2.200 3.300 2.904 2.804 3.022 . 0 0 "[ . 1 . 2]" 2
17 1 12 GLU O 1 125 LYS H 2.200 . 2.200 2.215 2.167 2.242 0.042 2 0 "[ . 1 . 2]" 2
18 1 12 GLU O 1 125 LYS N 3.300 2.200 3.300 3.203 3.110 3.247 . 0 0 "[ . 1 . 2]" 2
19 1 12 GLU H 1 125 LYS O 2.200 . 2.200 2.058 1.866 2.198 . 0 0 "[ . 1 . 2]" 2
20 1 12 GLU N 1 125 LYS O 3.300 2.200 3.300 2.982 2.783 3.122 . 0 0 "[ . 1 . 2]" 2
21 1 37 LYS O 1 52 SER H 2.200 . 2.200 1.913 1.719 2.089 0.081 15 0 "[ . 1 . 2]" 2
22 1 37 LYS O 1 52 SER N 3.300 2.200 3.300 2.637 2.377 2.845 . 0 0 "[ . 1 . 2]" 2
23 1 37 LYS H 1 52 SER O 2.200 . 2.200 1.871 1.757 2.041 0.043 4 0 "[ . 1 . 2]" 2
24 1 37 LYS N 1 52 SER O 3.300 2.200 3.300 2.810 2.662 2.985 . 0 0 "[ . 1 . 2]" 2
25 1 39 THR O 1 50 LYS H 2.200 . 2.200 1.776 1.735 1.934 0.065 4 0 "[ . 1 . 2]" 2
26 1 39 THR O 1 50 LYS N 3.300 2.200 3.300 2.751 2.711 2.877 . 0 0 "[ . 1 . 2]" 2
27 1 39 THR H 1 50 LYS O 2.200 . 2.200 1.820 1.709 1.942 0.091 16 0 "[ . 1 . 2]" 2
28 1 39 THR N 1 50 LYS O 3.300 2.200 3.300 2.809 2.654 2.938 . 0 0 "[ . 1 . 2]" 2
29 1 41 THR O 1 48 THR H 2.200 . 2.200 2.008 1.861 2.084 . 0 0 "[ . 1 . 2]" 2
30 1 41 THR O 1 48 THR N 3.300 2.200 3.300 2.924 2.778 3.004 . 0 0 "[ . 1 . 2]" 2
31 1 41 THR H 1 48 THR O 2.200 . 2.200 2.089 1.957 2.184 . 0 0 "[ . 1 . 2]" 2
32 1 41 THR N 1 48 THR O 3.300 2.200 3.300 2.989 2.852 3.129 . 0 0 "[ . 1 . 2]" 2
33 1 47 PHE O 1 62 PHE H 2.200 . 2.200 2.174 2.030 2.239 0.039 17 0 "[ . 1 . 2]" 2
34 1 47 PHE O 1 62 PHE N 3.300 2.200 3.300 3.136 2.994 3.189 . 0 0 "[ . 1 . 2]" 2
35 1 47 PHE H 1 62 PHE O 2.200 . 2.200 1.798 1.729 1.983 0.071 6 0 "[ . 1 . 2]" 2
36 1 47 PHE N 1 62 PHE O 3.300 2.200 3.300 2.775 2.674 2.960 . 0 0 "[ . 1 . 2]" 2
37 1 49 VAL O 1 60 CYS H 2.200 . 2.200 2.073 1.876 2.198 . 0 0 "[ . 1 . 2]" 2
38 1 49 VAL O 1 60 CYS N 3.300 2.200 3.300 2.993 2.770 3.162 . 0 0 "[ . 1 . 2]" 2
39 1 49 VAL H 1 60 CYS O 2.200 . 2.200 2.149 1.892 2.253 0.053 17 0 "[ . 1 . 2]" 2
40 1 49 VAL N 1 60 CYS O 3.300 2.200 3.300 3.130 2.875 3.220 . 0 0 "[ . 1 . 2]" 2
41 1 51 GLU O 1 58 ILE H 2.200 . 2.200 2.207 2.183 2.224 0.024 9 0 "[ . 1 . 2]" 2
42 1 51 GLU O 1 58 ILE N 3.300 2.200 3.300 3.025 2.960 3.077 . 0 0 "[ . 1 . 2]" 2
43 1 51 GLU H 1 58 ILE O 2.200 . 2.200 2.019 1.851 2.217 0.017 20 0 "[ . 1 . 2]" 2
44 1 51 GLU N 1 58 ILE O 3.300 2.200 3.300 2.614 2.485 2.781 . 0 0 "[ . 1 . 2]" 2
45 1 68 PHE O 1 80 GLY H 2.200 . 2.200 2.174 1.983 2.217 0.017 5 0 "[ . 1 . 2]" 2
46 1 68 PHE O 1 80 GLY N 3.300 2.200 3.300 2.992 2.906 3.033 . 0 0 "[ . 1 . 2]" 2
47 1 68 PHE H 1 80 GLY O 2.200 . 2.200 2.287 2.251 2.317 0.117 12 0 "[ . 1 . 2]" 2
48 1 68 PHE N 1 80 GLY O 3.300 2.200 3.300 3.148 3.078 3.184 . 0 0 "[ . 1 . 2]" 2
49 1 70 CYS O 1 78 LEU H 2.200 . 2.200 2.149 1.835 2.234 0.034 17 0 "[ . 1 . 2]" 2
50 1 70 CYS O 1 78 LEU N 3.300 2.200 3.300 3.130 2.787 3.212 . 0 0 "[ . 1 . 2]" 2
51 1 70 CYS H 1 78 LEU O 2.200 . 2.200 1.892 1.748 2.085 0.052 5 0 "[ . 1 . 2]" 2
52 1 70 CYS N 1 78 LEU O 3.300 2.200 3.300 2.849 2.725 2.999 . 0 0 "[ . 1 . 2]" 2
53 1 72 LEU O 1 76 THR H 2.200 . 2.200 2.239 2.222 2.259 0.059 8 0 "[ . 1 . 2]" 2
54 1 72 LEU O 1 76 THR N 3.300 2.200 3.300 3.149 3.136 3.169 . 0 0 "[ . 1 . 2]" 2
55 1 72 LEU H 1 76 THR O 2.200 . 2.200 2.020 1.882 2.078 . 0 0 "[ . 1 . 2]" 2
56 1 72 LEU N 1 76 THR O 3.300 2.200 3.300 2.837 2.765 2.879 . 0 0 "[ . 1 . 2]" 2
57 1 79 ARG O 1 94 LYS H 2.200 . 2.200 2.170 2.036 2.243 0.043 6 0 "[ . 1 . 2]" 2
58 1 79 ARG O 1 94 LYS N 3.300 2.200 3.300 3.039 2.937 3.105 . 0 0 "[ . 1 . 2]" 2
59 1 79 ARG H 1 94 LYS O 2.200 . 2.200 2.201 2.108 2.240 0.040 8 0 "[ . 1 . 2]" 2
60 1 79 ARG N 1 94 LYS O 3.300 2.200 3.300 3.089 3.011 3.154 . 0 0 "[ . 1 . 2]" 2
61 1 81 THR O 1 92 LYS H 2.200 . 2.200 2.051 1.978 2.170 . 0 0 "[ . 1 . 2]" 2
62 1 81 THR O 1 92 LYS N 3.300 2.200 3.300 2.994 2.912 3.146 . 0 0 "[ . 1 . 2]" 2
63 1 81 THR H 1 92 LYS O 2.200 . 2.200 2.216 2.192 2.242 0.042 8 0 "[ . 1 . 2]" 2
64 1 81 THR N 1 92 LYS O 3.300 2.200 3.300 3.102 3.064 3.127 . 0 0 "[ . 1 . 2]" 2
65 1 83 SER O 1 90 ILE H 2.200 . 2.200 1.709 1.644 2.235 0.156 17 0 "[ . 1 . 2]" 2
66 1 83 SER O 1 90 ILE N 3.300 2.200 3.300 2.626 2.564 3.202 . 0 0 "[ . 1 . 2]" 2
67 1 83 SER H 1 90 ILE O 2.200 . 2.200 2.202 2.166 2.262 0.062 11 0 "[ . 1 . 2]" 2
68 1 83 SER N 1 90 ILE O 3.300 2.200 3.300 3.038 3.011 3.066 . 0 0 "[ . 1 . 2]" 2
69 1 85 GLU O 1 88 LYS H 2.200 . 2.200 2.090 1.880 2.192 . 0 0 "[ . 1 . 2]" 2
70 1 85 GLU O 1 88 LYS N 3.300 2.200 3.300 3.005 2.813 3.113 . 0 0 "[ . 1 . 2]" 2
71 1 85 GLU H 1 88 LYS O 2.200 . 2.200 1.864 1.753 2.124 0.047 1 0 "[ . 1 . 2]" 2
72 1 85 GLU N 1 88 LYS O 3.300 2.200 3.300 2.858 2.702 3.114 . 0 0 "[ . 1 . 2]" 2
73 1 89 LEU O 1 106 ARG H 2.200 . 2.200 1.760 1.747 1.788 0.053 13 0 "[ . 1 . 2]" 2
74 1 89 LEU O 1 106 ARG N 3.300 2.200 3.300 2.602 2.518 2.652 . 0 0 "[ . 1 . 2]" 2
75 1 89 LEU H 1 106 ARG O 2.200 . 2.200 2.190 2.052 2.220 0.020 11 0 "[ . 1 . 2]" 2
76 1 89 LEU N 1 106 ARG O 3.300 2.200 3.300 3.159 3.018 3.209 . 0 0 "[ . 1 . 2]" 2
77 1 91 GLY O 1 104 THR H 2.200 . 2.200 2.163 1.995 2.251 0.051 8 0 "[ . 1 . 2]" 2
78 1 91 GLY O 1 104 THR N 3.300 2.200 3.300 3.106 2.909 3.152 . 0 0 "[ . 1 . 2]" 2
79 1 91 GLY H 1 104 THR O 2.200 . 2.200 2.152 1.942 2.192 . 0 0 "[ . 1 . 2]" 2
80 1 91 GLY N 1 104 THR O 3.300 2.200 3.300 2.976 2.743 3.021 . 0 0 "[ . 1 . 2]" 2
81 1 93 PHE O 1 102 LEU H 2.200 . 2.200 1.990 1.750 2.212 0.050 10 0 "[ . 1 . 2]" 2
82 1 93 PHE O 1 102 LEU N 3.300 2.200 3.300 2.523 2.347 2.675 . 0 0 "[ . 1 . 2]" 2
83 1 93 PHE H 1 102 LEU O 2.200 . 2.200 2.005 1.783 2.138 0.017 8 0 "[ . 1 . 2]" 2
84 1 93 PHE N 1 102 LEU O 3.300 2.200 3.300 2.955 2.733 3.054 . 0 0 "[ . 1 . 2]" 2
85 1 103 ASN H 1 118 VAL O 2.200 . 2.200 2.229 2.192 2.270 0.070 8 0 "[ . 1 . 2]" 2
86 1 103 ASN N 1 118 VAL O 3.300 2.200 3.300 3.188 3.142 3.257 . 0 0 "[ . 1 . 2]" 2
87 1 103 ASN O 1 118 VAL H 2.200 . 2.200 1.676 1.547 1.733 0.253 8 0 "[ . 1 . 2]" 2
88 1 103 ASN O 1 118 VAL N 3.300 2.200 3.300 2.437 2.310 2.564 . 0 0 "[ . 1 . 2]" 2
89 1 105 VAL H 1 116 THR O 2.200 . 2.200 1.755 1.720 1.794 0.080 11 0 "[ . 1 . 2]" 2
90 1 105 VAL N 1 116 THR O 3.300 2.200 3.300 2.662 2.624 2.710 . 0 0 "[ . 1 . 2]" 2
91 1 105 VAL O 1 116 THR H 2.200 . 2.200 2.123 1.960 2.209 0.009 8 0 "[ . 1 . 2]" 2
92 1 105 VAL O 1 116 THR N 3.300 2.200 3.300 2.946 2.820 3.017 . 0 0 "[ . 1 . 2]" 2
93 1 107 GLU H 1 114 VAL O 2.200 . 2.200 1.972 1.766 2.160 0.034 17 0 "[ . 1 . 2]" 2
94 1 107 GLU N 1 114 VAL O 3.300 2.200 3.300 2.836 2.674 2.997 . 0 0 "[ . 1 . 2]" 2
95 1 107 GLU O 1 114 VAL H 2.200 . 2.200 1.839 1.735 1.937 0.065 7 0 "[ . 1 . 2]" 2
96 1 107 GLU O 1 114 VAL N 3.300 2.200 3.300 2.744 2.648 2.886 . 0 0 "[ . 1 . 2]" 2
97 1 113 LEU O 1 128 PHE H 2.200 . 2.200 1.755 1.687 1.819 0.113 14 0 "[ . 1 . 2]" 2
98 1 113 LEU O 1 128 PHE N 3.300 2.200 3.300 2.720 2.644 2.790 . 0 0 "[ . 1 . 2]" 2
99 1 113 LEU H 1 128 PHE O 2.200 . 2.200 2.253 2.172 2.282 0.082 1 0 "[ . 1 . 2]" 2
100 1 113 LEU N 1 128 PHE O 3.300 2.200 3.300 3.075 3.008 3.164 . 0 0 "[ . 1 . 2]" 2
101 1 115 GLN O 1 126 ARG H 2.200 . 2.200 2.180 2.091 2.207 0.007 6 0 "[ . 1 . 2]" 2
102 1 115 GLN O 1 126 ARG N 3.300 2.200 3.300 3.009 2.961 3.068 . 0 0 "[ . 1 . 2]" 2
103 1 115 GLN H 1 126 ARG O 2.200 . 2.200 1.772 1.728 1.898 0.072 16 0 "[ . 1 . 2]" 2
104 1 115 GLN N 1 126 ARG O 3.300 2.200 3.300 2.769 2.722 2.892 . 0 0 "[ . 1 . 2]" 2
105 1 117 TYR O 1 124 ALA H 2.200 . 2.200 1.796 1.757 1.858 0.043 14 0 "[ . 1 . 2]" 2
106 1 117 TYR O 1 124 ALA N 3.300 2.200 3.300 2.748 2.694 2.803 . 0 0 "[ . 1 . 2]" 2
107 1 117 TYR H 1 124 ALA O 2.200 . 2.200 1.868 1.792 1.977 0.008 11 0 "[ . 1 . 2]" 2
108 1 117 TYR N 1 124 ALA O 3.300 2.200 3.300 2.829 2.750 2.938 . 0 0 "[ . 1 . 2]" 2
109 1 119 TYR O 1 122 VAL H 2.200 . 2.200 2.224 2.209 2.241 0.041 17 0 "[ . 1 . 2]" 2
110 1 119 TYR O 1 122 VAL N 3.300 2.200 3.300 2.783 2.751 2.824 . 0 0 "[ . 1 . 2]" 2
111 1 119 TYR H 1 122 VAL O 2.200 . 2.200 2.244 2.231 2.258 0.058 17 0 "[ . 1 . 2]" 2
112 1 119 TYR N 1 122 VAL O 3.300 2.200 3.300 3.142 3.129 3.158 . 0 0 "[ . 1 . 2]" 2
113 1 15 ASP O 1 19 GLU H 2.200 . 2.200 1.826 1.768 1.978 0.032 14 0 "[ . 1 . 2]" 2
114 1 15 ASP O 1 19 GLU N 3.300 2.200 3.300 2.626 2.497 2.807 . 0 0 "[ . 1 . 2]" 2
115 1 16 LYS O 1 20 LYS H 2.200 . 2.200 2.162 2.116 2.198 . 0 0 "[ . 1 . 2]" 2
116 1 16 LYS O 1 20 LYS N 3.300 2.200 3.300 2.957 2.850 3.056 . 0 0 "[ . 1 . 2]" 2
117 1 17 PHE O 1 21 MET H 2.200 . 2.200 2.200 2.168 2.229 0.029 17 0 "[ . 1 . 2]" 2
118 1 17 PHE O 1 21 MET N 3.300 2.200 3.300 3.172 3.120 3.208 . 0 0 "[ . 1 . 2]" 2
119 1 25 ILE O 1 29 LYS H 2.200 . 2.200 2.207 2.192 2.235 0.035 10 0 "[ . 1 . 2]" 2
120 1 25 ILE O 1 29 LYS N 3.300 2.200 3.300 3.112 2.971 3.165 . 0 0 "[ . 1 . 2]" 2
121 1 26 VAL O 1 30 LEU H 2.200 . 2.200 2.123 1.948 2.204 0.004 9 0 "[ . 1 . 2]" 2
122 1 26 VAL O 1 30 LEU N 3.300 2.200 3.300 3.074 2.908 3.172 . 0 0 "[ . 1 . 2]" 2
123 1 27 LYS O 1 31 ALA H 2.200 . 2.200 2.148 1.790 2.191 0.010 7 0 "[ . 1 . 2]" 2
124 1 27 LYS O 1 31 ALA N 3.300 2.200 3.300 2.717 2.451 2.826 . 0 0 "[ . 1 . 2]" 2
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