NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
450421 |
2rlo   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rlo
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 1767
_Distance_constraint_stats_list.Viol_count 1738
_Distance_constraint_stats_list.Viol_total 1449.211
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0417
_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 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ILE 0.746 0.039 10 0 "[ . 1 . 2]"
1 4 PRO 1.651 0.130 8 0 "[ . 1 . 2]"
1 5 ILE 3.063 0.117 6 0 "[ . 1 . 2]"
1 6 LYS 3.416 0.146 17 0 "[ . 1 . 2]"
1 7 GLN 5.093 0.159 2 0 "[ . 1 . 2]"
1 8 SER 0.885 0.070 2 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 4.980 0.204 8 0 "[ . 1 . 2]"
1 11 LEU 0.651 0.045 18 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 SER 0.004 0.004 10 0 "[ . 1 . 2]"
1 18 LEU 0.331 0.049 10 0 "[ . 1 . 2]"
1 19 ASN 0.273 0.049 10 0 "[ . 1 . 2]"
1 20 LYS 0.545 0.043 15 0 "[ . 1 . 2]"
1 21 GLU 1.197 0.054 4 0 "[ . 1 . 2]"
1 22 TRP 5.114 0.142 13 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 8.779 0.204 8 0 "[ . 1 . 2]"
1 28 THR 1.011 0.070 2 0 "[ . 1 . 2]"
1 29 LEU 5.039 0.125 12 0 "[ . 1 . 2]"
1 30 SER 0.929 0.064 11 0 "[ . 1 . 2]"
1 31 SER 1.768 0.073 14 0 "[ . 1 . 2]"
1 32 ASN 1.364 0.064 15 0 "[ . 1 . 2]"
1 33 GLY 1.183 0.064 15 0 "[ . 1 . 2]"
1 34 PHE 0.239 0.015 14 0 "[ . 1 . 2]"
1 35 LEU 4.054 0.135 12 0 "[ . 1 . 2]"
1 36 LEU 0.217 0.039 11 0 "[ . 1 . 2]"
1 37 TYR 1.395 0.114 10 0 "[ . 1 . 2]"
1 38 HIS 0.368 0.033 12 0 "[ . 1 . 2]"
1 39 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 SER 0.032 0.023 18 0 "[ . 1 . 2]"
1 41 ILE 0.834 0.089 16 0 "[ . 1 . 2]"
1 42 ASN 1.537 0.083 17 0 "[ . 1 . 2]"
1 43 ASP 0.032 0.023 18 0 "[ . 1 . 2]"
1 44 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 1.432 0.089 16 0 "[ . 1 . 2]"
1 46 HIS 2.145 0.083 17 0 "[ . 1 . 2]"
1 47 SER 0.770 0.041 8 0 "[ . 1 . 2]"
1 48 THR 1.433 0.056 12 0 "[ . 1 . 2]"
1 49 HIS 1.803 0.103 18 0 "[ . 1 . 2]"
1 50 GLY 2.773 0.111 1 0 "[ . 1 . 2]"
1 51 LYS 1.160 0.111 1 0 "[ . 1 . 2]"
1 52 GLU 4.420 0.128 19 0 "[ . 1 . 2]"
1 53 MET 0.122 0.041 9 0 "[ . 1 . 2]"
1 54 ASP 0.104 0.014 4 0 "[ . 1 . 2]"
1 55 LEU 1.293 0.116 6 0 "[ . 1 . 2]"
1 56 LEU 0.043 0.043 2 0 "[ . 1 . 2]"
1 58 THR 0.003 0.003 2 0 "[ . 1 . 2]"
1 59 THR 0.251 0.020 20 0 "[ . 1 . 2]"
1 60 VAL 0.531 0.068 15 0 "[ . 1 . 2]"
1 61 LYS 0.133 0.083 7 0 "[ . 1 . 2]"
1 62 VAL 0.114 0.033 11 0 "[ . 1 . 2]"
1 63 PRO 0.047 0.033 9 0 "[ . 1 . 2]"
1 64 GLY 0.115 0.029 7 0 "[ . 1 . 2]"
1 65 LYS 0.397 0.040 11 0 "[ . 1 . 2]"
1 66 ARG 0.025 0.017 7 0 "[ . 1 . 2]"
1 67 PRO 0.007 0.007 17 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ARG 0.212 0.036 12 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.775 0.075 7 0 "[ . 1 . 2]"
1 72 SER 0.680 0.075 7 0 "[ . 1 . 2]"
1 73 ALA 2.657 0.135 9 0 "[ . 1 . 2]"
1 74 PHE 2.657 0.135 9 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.022 0.017 6 0 "[ . 1 . 2]"
1 77 SER 0.022 0.017 6 0 "[ . 1 . 2]"
1 78 ALA 0.153 0.047 12 0 "[ . 1 . 2]"
1 79 SER 0.159 0.047 12 0 "[ . 1 . 2]"
1 80 GLY 0.006 0.006 10 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 0.273 0.049 13 0 "[ . 1 . 2]"
1 85 ALA 0.280 0.049 13 0 "[ . 1 . 2]"
1 86 GLU 0.036 0.006 8 0 "[ . 1 . 2]"
1 87 GLU 0.030 0.006 8 0 "[ . 1 . 2]"
1 88 GLU 0.138 0.022 19 0 "[ . 1 . 2]"
1 89 ASN 0.025 0.017 19 0 "[ . 1 . 2]"
1 90 PHE 0.584 0.049 6 0 "[ . 1 . 2]"
1 91 GLU 0.942 0.070 1 0 "[ . 1 . 2]"
1 92 PHE 0.549 0.041 17 0 "[ . 1 . 2]"
1 93 LEU 0.280 0.071 1 0 "[ . 1 . 2]"
1 94 ILE 1.690 0.084 13 0 "[ . 1 . 2]"
1 95 VAL 0.670 0.106 2 0 "[ . 1 . 2]"
1 96 SER 0.008 0.003 7 0 "[ . 1 . 2]"
1 97 SER 0.861 0.058 5 0 "[ . 1 . 2]"
1 98 THR 1.701 0.104 12 0 "[ . 1 . 2]"
1 99 GLY 2.656 0.104 12 0 "[ . 1 . 2]"
1 100 GLN 0.094 0.013 9 0 "[ . 1 . 2]"
1 101 THR 0.506 0.106 2 0 "[ . 1 . 2]"
1 102 TRP 7.842 0.128 19 0 "[ . 1 . 2]"
1 103 HIS 3.219 0.142 13 0 "[ . 1 . 2]"
1 104 PHE 2.276 0.089 1 0 "[ . 1 . 2]"
1 105 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 0.203 0.153 4 0 "[ . 1 . 2]"
1 107 ALA 0.089 0.051 4 0 "[ . 1 . 2]"
1 108 SER 0.807 0.051 4 0 "[ . 1 . 2]"
1 109 PHE 0.516 0.049 6 0 "[ . 1 . 2]"
1 110 GLU 0.129 0.025 16 0 "[ . 1 . 2]"
1 111 GLU 0.223 0.025 16 0 "[ . 1 . 2]"
1 112 ARG 0.259 0.153 4 0 "[ . 1 . 2]"
1 113 ASP 1.014 0.065 18 0 "[ . 1 . 2]"
1 114 ALA 0.977 0.066 11 0 "[ . 1 . 2]"
1 115 TRP 11.233 0.159 2 0 "[ . 1 . 2]"
1 116 VAL 1.158 0.068 15 0 "[ . 1 . 2]"
1 117 GLN 1.451 0.066 11 0 "[ . 1 . 2]"
1 118 ALA 2.794 0.117 6 0 "[ . 1 . 2]"
1 119 ILE 1.595 0.125 12 0 "[ . 1 . 2]"
1 120 GLU 0.585 0.047 15 0 "[ . 1 . 2]"
1 121 SER 0.880 0.050 2 0 "[ . 1 . 2]"
1 122 GLN 2.239 0.116 6 0 "[ . 1 . 2]"
1 123 ILE 0.341 0.036 8 0 "[ . 1 . 2]"
1 124 LEU 0.589 0.061 15 0 "[ . 1 . 2]"
1 125 ALA 0.236 0.019 5 0 "[ . 1 . 2]"
1 126 SER 0.038 0.014 1 0 "[ . 1 . 2]"
1 127 LEU 0.623 0.050 5 0 "[ . 1 . 2]"
1 128 GLN 0.590 0.050 5 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 ARG HA 1 1 ARG QD 3.300 . 4.300 3.406 2.013 3.914 . 0 0 "[ . 1 . 2]" 1
2 1 1 ARG HA 1 1 ARG QG 2.700 . 3.700 2.354 2.042 3.369 . 0 0 "[ . 1 . 2]" 1
3 1 1 ARG HA 1 2 ALA MB 5.000 . 6.500 4.017 3.831 4.586 . 0 0 "[ . 1 . 2]" 1
4 1 1 ARG QB 1 1 ARG QD 2.700 . 4.700 2.101 1.933 2.546 . 0 0 "[ . 1 . 2]" 1
5 1 2 ALA HA 1 3 ILE HB 5.000 . 5.000 4.798 4.676 4.921 . 0 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 ILE MD 5.000 . 6.500 3.772 2.888 4.665 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA HA 1 3 ILE QG 5.000 . 6.000 3.270 3.048 3.702 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA HA 1 3 ILE MG 5.000 . 6.500 5.400 5.373 5.415 . 0 0 "[ . 1 . 2]" 1
9 1 2 ALA MB 1 30 SER HA 5.000 . 6.500 4.397 4.052 4.679 . 0 0 "[ . 1 . 2]" 1
10 1 2 ALA MB 1 30 SER QB 2.700 . 5.200 3.631 2.984 3.893 . 0 0 "[ . 1 . 2]" 1
11 1 2 ALA MB 1 32 ASN HA 5.000 . 6.500 3.352 2.801 3.803 . 0 0 "[ . 1 . 2]" 1
12 1 2 ALA MB 1 32 ASN QB 3.300 . 5.800 2.318 1.856 3.099 . 0 0 "[ . 1 . 2]" 1
13 1 3 ILE HA 1 3 ILE MD 3.300 . 4.800 3.051 1.975 3.946 . 0 0 "[ . 1 . 2]" 1
14 1 3 ILE HA 1 3 ILE MG 2.700 . 4.200 2.282 2.149 2.359 . 0 0 "[ . 1 . 2]" 1
15 1 3 ILE HA 1 4 PRO QB 5.000 . 6.000 4.683 4.599 4.740 . 0 0 "[ . 1 . 2]" 1
16 1 3 ILE HA 1 4 PRO QD 2.700 . 3.700 1.903 1.815 2.020 . 0 0 "[ . 1 . 2]" 1
17 1 3 ILE HA 1 4 PRO QG 5.000 . 6.000 3.805 3.687 3.921 . 0 0 "[ . 1 . 2]" 1
18 1 3 ILE HB 1 3 ILE MD 2.700 . 4.200 2.667 2.031 3.230 . 0 0 "[ . 1 . 2]" 1
19 1 3 ILE HB 1 4 PRO QD 3.300 . 4.300 3.842 3.707 3.917 . 0 0 "[ . 1 . 2]" 1
20 1 3 ILE MD 1 3 ILE MG 2.700 . 5.700 2.294 1.870 3.025 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE MD 1 4 PRO QD 5.000 . 7.500 3.914 2.929 4.756 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE QG 1 31 SER QB 5.000 . 7.000 3.701 3.241 4.293 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE QG 1 3 ILE MG 2.700 . 5.200 2.213 1.961 2.355 . 0 0 "[ . 1 . 2]" 1
24 1 3 ILE QG 1 4 PRO QD 5.000 . 7.000 3.908 3.602 4.299 . 0 0 "[ . 1 . 2]" 1
25 1 3 ILE MG 1 31 SER QB 5.000 . 7.500 4.089 3.827 4.387 . 0 0 "[ . 1 . 2]" 1
26 1 3 ILE MG 1 4 PRO HA 5.000 . 6.500 4.299 4.187 4.467 . 0 0 "[ . 1 . 2]" 1
27 1 3 ILE MG 1 4 PRO QD 2.700 . 5.200 1.925 1.779 2.068 0.021 11 0 "[ . 1 . 2]" 1
28 1 3 ILE MG 1 4 PRO QG 5.000 . 7.500 3.484 2.747 3.800 . 0 0 "[ . 1 . 2]" 1
29 1 3 ILE MG 1 5 ILE HA 5.000 . 6.500 4.539 4.319 4.684 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HA 1 28 THR MG 3.300 . 4.800 3.546 3.435 3.641 . 0 0 "[ . 1 . 2]" 1
31 1 4 PRO HA 1 30 SER HA 2.700 . 2.700 2.153 2.000 2.269 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO HA 1 30 SER QB 3.300 . 4.300 3.536 3.412 3.625 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO QB 1 28 THR MG 3.300 . 5.800 2.840 2.541 3.099 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO QB 1 30 SER HA 5.000 . 6.000 3.972 3.815 4.100 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO QG 1 28 THR MG 3.300 . 5.800 3.826 3.417 4.299 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE HA 1 5 ILE MD 2.700 . 4.200 2.261 1.965 3.245 . 0 0 "[ . 1 . 2]" 1
37 1 5 ILE HA 1 5 ILE QG 3.300 . 4.300 2.872 2.214 3.050 . 0 0 "[ . 1 . 2]" 1
38 1 5 ILE HA 1 5 ILE MG 2.700 . 4.200 2.382 2.289 2.538 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE HB 1 29 LEU QD 5.000 . 7.400 2.712 2.406 3.063 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE HB 1 5 ILE MD 3.300 . 4.800 3.047 2.234 3.229 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE MD 1 122 GLN QG 5.000 . 7.500 4.190 3.126 4.666 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE MD 1 29 LEU QD 5.000 . 8.900 4.086 2.922 4.449 . 0 0 "[ . 1 . 2]" 1
43 1 5 ILE MD 1 30 SER HA 5.000 . 6.500 3.815 2.453 4.288 . 0 0 "[ . 1 . 2]" 1
44 1 5 ILE MD 1 31 SER HA 2.700 . 4.200 2.560 1.841 2.975 . 0 0 "[ . 1 . 2]" 1
45 1 5 ILE MD 1 31 SER QB 3.300 . 5.800 2.167 1.862 2.596 . 0 0 "[ . 1 . 2]" 1
46 1 5 ILE MD 1 5 ILE MG 2.700 . 5.700 2.159 1.738 3.252 0.062 2 0 "[ . 1 . 2]" 1
47 1 5 ILE QG 1 31 SER HA 5.000 . 6.000 2.731 2.430 3.553 . 0 0 "[ . 1 . 2]" 1
48 1 5 ILE QG 1 31 SER QB 5.000 . 7.000 3.147 2.864 3.629 . 0 0 "[ . 1 . 2]" 1
49 1 5 ILE QG 1 5 ILE MG 2.700 . 5.200 2.274 2.074 2.366 . 0 0 "[ . 1 . 2]" 1
50 1 5 ILE MG 1 118 ALA HA 5.000 . 6.500 2.088 1.936 2.834 . 0 0 "[ . 1 . 2]" 1
51 1 5 ILE MG 1 118 ALA MB 2.700 . 5.700 1.705 1.683 1.755 0.117 6 0 "[ . 1 . 2]" 1
52 1 5 ILE MG 1 29 LEU QD 2.700 . 6.600 3.305 3.115 3.519 . 0 0 "[ . 1 . 2]" 1
53 1 5 ILE MG 1 29 LEU HG 3.300 . 4.800 3.856 3.711 3.913 . 0 0 "[ . 1 . 2]" 1
54 1 5 ILE MG 1 31 SER HA 5.000 . 6.500 4.793 4.575 5.225 . 0 0 "[ . 1 . 2]" 1
55 1 5 ILE MG 1 31 SER QB 5.000 . 7.500 4.997 4.697 5.384 . 0 0 "[ . 1 . 2]" 1
56 1 5 ILE MG 1 6 LYS HA 5.000 . 6.500 4.490 4.188 4.670 . 0 0 "[ . 1 . 2]" 1
57 1 5 ILE MG 1 6 LYS QB 3.300 . 5.800 2.972 2.511 3.894 . 0 0 "[ . 1 . 2]" 1
58 1 5 ILE MG 1 6 LYS QD 5.000 . 7.500 3.215 1.788 3.450 0.012 8 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 118 ALA MB 5.000 . 6.500 4.852 4.743 5.523 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS HA 1 6 LYS QE 5.000 . 6.000 3.492 3.179 4.715 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS QD 1 114 ALA MB 5.000 . 7.500 2.110 1.893 3.413 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS QD 1 115 TRP HA 5.000 . 6.000 4.094 3.174 4.252 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS QD 1 118 ALA MB 3.300 . 5.800 3.366 1.687 3.600 0.113 8 0 "[ . 1 . 2]" 1
64 1 6 LYS QE 1 114 ALA MB 2.700 . 5.200 1.877 1.786 1.909 0.014 8 0 "[ . 1 . 2]" 1
65 1 6 LYS QE 1 115 TRP HA 5.000 . 6.000 4.912 2.504 5.134 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QG 1 114 ALA MB 5.000 . 7.500 2.380 2.141 3.951 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS QG 1 115 TRP HA 5.000 . 6.000 2.793 2.499 2.898 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS QG 1 118 ALA MB 5.000 . 7.500 3.468 2.606 3.581 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLN HA 1 28 THR HA 3.300 . 3.300 1.949 1.835 2.029 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLN HA 1 28 THR MG 5.000 . 6.500 3.270 3.181 3.503 . 0 0 "[ . 1 . 2]" 1
71 1 7 GLN QB 1 28 THR HA 5.000 . 6.000 2.703 2.509 3.031 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLN QB 1 28 THR MG 5.000 . 7.500 1.952 1.848 2.764 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLN QG 1 28 THR HA 5.000 . 6.000 3.896 2.777 4.579 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLN QG 1 28 THR MG 3.300 . 5.800 3.063 1.806 3.707 . 0 0 "[ . 1 . 2]" 1
75 1 9 PHE HA 1 24 LYS QD 5.000 . 6.000 4.583 3.818 5.231 . 0 0 "[ . 1 . 2]" 1
76 1 9 PHE HA 1 26 TYR HA 3.300 . 3.300 2.163 2.039 2.277 . 0 0 "[ . 1 . 2]" 1
77 1 9 PHE HA 1 26 TYR QB 5.000 . 6.000 3.856 3.656 4.016 . 0 0 "[ . 1 . 2]" 1
78 1 9 PHE HA 1 27 VAL QG 5.000 . 7.400 3.881 3.603 4.146 . 0 0 "[ . 1 . 2]" 1
79 1 9 PHE QB 1 24 LYS QD 5.000 . 7.000 2.471 1.897 3.021 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU HA 1 106 ALA HA 5.000 . 5.000 3.720 3.349 3.988 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU HA 1 106 ALA MB 5.000 . 6.500 5.151 4.846 5.374 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU HA 1 10 LEU QD 2.700 . 4.400 2.759 2.605 2.846 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU QB 1 27 VAL QG 3.300 . 6.700 1.767 1.724 1.803 0.076 11 0 "[ . 1 . 2]" 1
84 1 10 LEU QD 1 104 PHE QB 5.000 . 8.400 1.748 1.711 1.802 0.089 1 0 "[ . 1 . 2]" 1
85 1 10 LEU QD 1 106 ALA HA 2.700 . 5.100 3.166 2.921 3.267 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU QD 1 106 ALA MB 2.700 . 6.600 3.595 3.277 3.802 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU QD 1 111 GLU QG 5.000 . 8.400 3.745 3.416 4.272 . 0 0 "[ . 1 . 2]" 1
88 1 10 LEU QD 1 27 VAL HA 5.000 . 7.400 4.129 4.004 4.220 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU QD 1 27 VAL HB 5.000 . 7.400 2.191 1.942 2.445 . 0 0 "[ . 1 . 2]" 1
90 1 10 LEU QD 1 27 VAL QG 2.700 . 7.500 1.669 1.596 1.761 0.204 8 0 "[ . 1 . 2]" 1
91 1 10 LEU HG 1 106 ALA HA 5.000 . 5.000 2.603 2.212 2.877 . 0 0 "[ . 1 . 2]" 1
92 1 10 LEU HG 1 106 ALA MB 5.000 . 6.500 3.941 3.630 4.271 . 0 0 "[ . 1 . 2]" 1
93 1 10 LEU HG 1 27 VAL QG 3.300 . 5.700 3.515 3.371 3.600 . 0 0 "[ . 1 . 2]" 1
94 1 11 LEU HA 1 11 LEU QD 2.700 . 4.400 2.040 1.949 2.192 . 0 0 "[ . 1 . 2]" 1
95 1 11 LEU HA 1 24 LYS HA 3.300 . 3.300 3.214 3.134 3.299 . 0 0 "[ . 1 . 2]" 1
96 1 11 LEU QB 1 22 TRP HA 5.000 . 6.000 4.385 4.236 4.693 . 0 0 "[ . 1 . 2]" 1
97 1 11 LEU QB 1 22 TRP QB 5.000 . 7.000 2.058 1.928 2.353 . 0 0 "[ . 1 . 2]" 1
98 1 11 LEU QD 1 105 GLU QB 5.000 . 8.400 2.785 2.652 2.928 . 0 0 "[ . 1 . 2]" 1
99 1 11 LEU QD 1 105 GLU QG 5.000 . 8.400 3.414 3.009 3.936 . 0 0 "[ . 1 . 2]" 1
100 1 11 LEU QD 1 107 ALA MB 3.300 . 7.200 3.882 3.622 4.123 . 0 0 "[ . 1 . 2]" 1
101 1 11 LEU QD 1 22 TRP HA 5.000 . 7.400 4.191 4.095 4.308 . 0 0 "[ . 1 . 2]" 1
102 1 11 LEU QD 1 22 TRP QB 3.300 . 6.700 1.914 1.870 2.024 . 0 0 "[ . 1 . 2]" 1
103 1 11 LEU QD 1 24 LYS HA 2.700 . 5.100 2.345 2.209 2.578 . 0 0 "[ . 1 . 2]" 1
104 1 11 LEU QD 1 24 LYS QB 3.300 . 6.700 3.844 3.662 3.895 . 0 0 "[ . 1 . 2]" 1
105 1 11 LEU QD 1 24 LYS QD 3.300 . 6.700 2.983 2.124 3.770 . 0 0 "[ . 1 . 2]" 1
106 1 11 LEU QD 1 24 LYS QE 5.000 . 8.400 3.772 1.995 5.033 . 0 0 "[ . 1 . 2]" 1
107 1 11 LEU QD 1 24 LYS QG 3.300 . 6.700 2.902 2.519 3.860 . 0 0 "[ . 1 . 2]" 1
108 1 12 LYS HA 1 104 PHE HA 5.000 . 5.000 2.981 2.713 3.132 . 0 0 "[ . 1 . 2]" 1
109 1 13 ARG HA 1 13 ARG QG 3.300 . 4.300 2.955 2.227 3.341 . 0 0 "[ . 1 . 2]" 1
110 1 13 ARG HA 1 22 TRP HA 3.300 . 3.300 2.140 1.916 2.572 . 0 0 "[ . 1 . 2]" 1
111 1 13 ARG QB 1 103 HIS QB 5.000 . 7.000 3.996 2.789 4.753 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG QB 1 22 TRP HA 5.000 . 6.000 4.007 3.605 4.576 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG QD 1 20 LYS QD 5.000 . 7.000 2.645 1.972 3.319 . 0 0 "[ . 1 . 2]" 1
114 1 13 ARG QG 1 22 TRP HA 5.000 . 6.000 4.482 3.812 4.804 . 0 0 "[ . 1 . 2]" 1
115 1 14 SER QB 1 15 GLY QA 5.000 . 7.000 3.991 3.493 4.287 . 0 0 "[ . 1 . 2]" 1
116 1 14 SER QB 1 21 GLU QB 5.000 . 7.000 2.912 1.948 4.060 . 0 0 "[ . 1 . 2]" 1
117 1 14 SER QB 1 21 GLU QG 5.000 . 7.000 3.979 3.216 4.721 . 0 0 "[ . 1 . 2]" 1
118 1 14 SER QB 1 23 LYS QB 5.000 . 7.000 4.261 3.298 5.430 . 0 0 "[ . 1 . 2]" 1
119 1 14 SER QB 1 23 LYS QE 5.000 . 7.000 4.416 2.725 5.605 . 0 0 "[ . 1 . 2]" 1
120 1 14 SER QB 1 23 LYS QG 5.000 . 7.000 4.692 3.517 5.401 . 0 0 "[ . 1 . 2]" 1
121 1 16 ASN QB 1 19 ASN QB 3.300 . 5.300 3.098 2.303 4.221 . 0 0 "[ . 1 . 2]" 1
122 1 17 SER HA 1 20 LYS QE 3.300 . 4.300 3.005 2.058 3.736 . 0 0 "[ . 1 . 2]" 1
123 1 17 SER QB 1 18 LEU QD 5.000 . 8.400 3.898 2.427 5.240 . 0 0 "[ . 1 . 2]" 1
124 1 18 LEU HA 1 18 LEU QD 2.700 . 4.400 2.539 2.234 3.081 . 0 0 "[ . 1 . 2]" 1
125 1 18 LEU HA 1 18 LEU HG 3.300 . 3.300 2.485 2.161 2.885 . 0 0 "[ . 1 . 2]" 1
126 1 18 LEU QB 1 18 LEU QD 2.700 . 6.100 1.856 1.767 1.953 0.033 11 0 "[ . 1 . 2]" 1
127 1 19 ASN HA 1 20 LYS QB 5.000 . 6.000 4.212 4.080 4.457 . 0 0 "[ . 1 . 2]" 1
128 1 20 LYS HA 1 20 LYS QD 3.300 . 4.300 3.279 1.801 3.956 . 0 0 "[ . 1 . 2]" 1
129 1 20 LYS HA 1 20 LYS QE 5.000 . 6.000 3.682 2.087 4.473 . 0 0 "[ . 1 . 2]" 1
130 1 20 LYS HA 1 20 LYS QG 3.300 . 4.300 2.354 2.186 2.674 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS QE 1 20 LYS QG 2.700 . 4.700 2.098 1.935 2.377 . 0 0 "[ . 1 . 2]" 1
132 1 21 GLU HA 1 21 GLU QG 3.300 . 4.300 2.302 2.025 2.677 . 0 0 "[ . 1 . 2]" 1
133 1 21 GLU QG 1 23 LYS QE 5.000 . 7.000 4.065 2.682 5.333 . 0 0 "[ . 1 . 2]" 1
134 1 21 GLU QG 1 23 LYS QG 5.000 . 7.000 4.492 3.300 5.376 . 0 0 "[ . 1 . 2]" 1
135 1 23 LYS HA 1 23 LYS QD 3.300 . 4.300 3.120 2.096 3.849 . 0 0 "[ . 1 . 2]" 1
136 1 23 LYS HA 1 23 LYS QE 5.000 . 6.000 3.910 2.345 4.746 . 0 0 "[ . 1 . 2]" 1
137 1 23 LYS HA 1 23 LYS QG 3.300 . 4.300 2.200 2.016 2.459 . 0 0 "[ . 1 . 2]" 1
138 1 23 LYS QB 1 25 LYS QE 5.000 . 7.000 4.175 3.155 5.251 . 0 0 "[ . 1 . 2]" 1
139 1 23 LYS QE 1 23 LYS QG 3.300 . 5.300 2.051 1.920 2.368 . 0 0 "[ . 1 . 2]" 1
140 1 24 LYS HA 1 24 LYS QE 5.000 . 6.000 4.082 2.140 4.757 . 0 0 "[ . 1 . 2]" 1
141 1 24 LYS QB 1 24 LYS QD 3.300 . 5.300 2.200 1.955 2.650 . 0 0 "[ . 1 . 2]" 1
142 1 24 LYS QE 1 24 LYS QG 3.300 . 5.300 2.104 1.956 2.340 . 0 0 "[ . 1 . 2]" 1
143 1 25 LYS HA 1 25 LYS QE 5.000 . 6.000 3.804 2.693 4.482 . 0 0 "[ . 1 . 2]" 1
144 1 25 LYS HA 1 39 PRO HA 5.000 . 5.000 3.895 3.606 4.100 . 0 0 "[ . 1 . 2]" 1
145 1 25 LYS QG 1 27 VAL QG 5.000 . 8.400 4.053 3.395 4.855 . 0 0 "[ . 1 . 2]" 1
146 1 26 TYR QB 1 41 ILE MD 3.300 . 5.800 2.770 2.558 3.293 . 0 0 "[ . 1 . 2]" 1
147 1 26 TYR QB 1 41 ILE QG 3.300 . 5.300 3.220 3.027 3.668 . 0 0 "[ . 1 . 2]" 1
148 1 26 TYR QB 1 44 TYR QB 3.300 . 5.300 3.232 3.120 3.389 . 0 0 "[ . 1 . 2]" 1
149 1 26 TYR HA 1 27 VAL QG 5.000 . 7.400 3.317 3.174 3.499 . 0 0 "[ . 1 . 2]" 1
150 1 27 VAL HA 1 37 TYR HA 3.300 . 3.300 2.053 1.998 2.106 . 0 0 "[ . 1 . 2]" 1
151 1 27 VAL HA 1 37 TYR QB 5.000 . 6.000 2.782 2.439 3.001 . 0 0 "[ . 1 . 2]" 1
152 1 27 VAL QG 1 119 ILE MD 3.300 . 7.200 3.957 3.806 4.083 . 0 0 "[ . 1 . 2]" 1
153 1 27 VAL QG 1 35 LEU QD 2.700 . 7.500 1.761 1.665 1.839 0.135 12 0 "[ . 1 . 2]" 1
154 1 27 VAL QG 1 35 LEU HG 5.000 . 7.400 3.619 3.484 3.723 . 0 0 "[ . 1 . 2]" 1
155 1 27 VAL QG 1 37 TYR HA 3.300 . 5.700 2.736 2.643 2.842 . 0 0 "[ . 1 . 2]" 1
156 1 27 VAL QG 1 37 TYR QB 5.000 . 8.400 1.745 1.686 1.897 0.114 10 0 "[ . 1 . 2]" 1
157 1 28 THR HA 1 28 THR MG 2.700 . 4.200 2.361 2.317 2.440 . 0 0 "[ . 1 . 2]" 1
158 1 28 THR HB 1 36 LEU QB 3.300 . 4.300 2.932 2.695 3.431 . 0 0 "[ . 1 . 2]" 1
159 1 28 THR HB 1 36 LEU QD 3.300 . 5.700 2.302 2.014 2.666 . 0 0 "[ . 1 . 2]" 1
160 1 28 THR HB 1 36 LEU HG 5.000 . 5.000 4.987 4.859 5.022 0.022 18 0 "[ . 1 . 2]" 1
161 1 28 THR MG 1 30 SER HA 3.300 . 4.800 3.828 3.749 3.885 . 0 0 "[ . 1 . 2]" 1
162 1 28 THR MG 1 30 SER QB 2.700 . 5.200 3.111 2.989 3.325 . 0 0 "[ . 1 . 2]" 1
163 1 28 THR MG 1 36 LEU QD 2.700 . 6.600 2.712 2.504 2.878 . 0 0 "[ . 1 . 2]" 1
164 1 29 LEU HA 1 29 LEU QD 3.300 . 5.000 1.850 1.787 1.885 0.013 8 0 "[ . 1 . 2]" 1
165 1 29 LEU HA 1 35 LEU HA 3.300 . 3.300 2.711 2.622 2.863 . 0 0 "[ . 1 . 2]" 1
166 1 29 LEU HA 1 35 LEU QD 3.300 . 5.700 3.023 2.725 3.202 . 0 0 "[ . 1 . 2]" 1
167 1 29 LEU HA 1 36 LEU QD 5.000 . 7.400 3.724 3.391 4.087 . 0 0 "[ . 1 . 2]" 1
168 1 29 LEU QB 1 118 ALA MB 5.000 . 7.500 2.393 2.282 2.745 . 0 0 "[ . 1 . 2]" 1
169 1 29 LEU QB 1 35 LEU QD 5.000 . 8.400 3.681 3.522 3.831 . 0 0 "[ . 1 . 2]" 1
170 1 29 LEU QD 1 118 ALA HA 5.000 . 7.400 3.900 3.649 4.033 . 0 0 "[ . 1 . 2]" 1
171 1 29 LEU QD 1 118 ALA MB 2.700 . 6.600 2.477 2.316 2.577 . 0 0 "[ . 1 . 2]" 1
172 1 29 LEU QD 1 119 ILE HA 3.300 . 5.700 2.397 2.228 2.773 . 0 0 "[ . 1 . 2]" 1
173 1 29 LEU QD 1 119 ILE HB 5.000 . 7.400 4.075 3.901 4.597 . 0 0 "[ . 1 . 2]" 1
174 1 29 LEU QD 1 119 ILE MD 2.700 . 6.600 1.799 1.675 1.853 0.125 12 0 "[ . 1 . 2]" 1
175 1 29 LEU QD 1 119 ILE MG 5.000 . 8.900 3.433 2.977 3.599 . 0 0 "[ . 1 . 2]" 1
176 1 29 LEU QD 1 122 GLN QB 5.000 . 8.400 2.790 2.555 3.133 . 0 0 "[ . 1 . 2]" 1
177 1 29 LEU QD 1 122 GLN QG 3.300 . 6.700 2.259 1.922 2.590 . 0 0 "[ . 1 . 2]" 1
178 1 29 LEU QD 1 35 LEU HA 3.300 . 5.700 2.412 2.303 2.569 . 0 0 "[ . 1 . 2]" 1
179 1 29 LEU QD 1 35 LEU QB 5.000 . 8.400 1.858 1.810 1.903 . 0 0 "[ . 1 . 2]" 1
180 1 29 LEU QD 1 35 LEU QD 2.700 . 7.500 1.753 1.684 1.842 0.116 5 0 "[ . 1 . 2]" 1
181 1 29 LEU QD 1 35 LEU HG 5.000 . 7.400 3.700 3.568 3.920 . 0 0 "[ . 1 . 2]" 1
182 1 29 LEU QD 1 55 LEU QD 2.700 . 7.500 1.862 1.749 2.125 0.051 19 0 "[ . 1 . 2]" 1
183 1 30 SER HA 1 36 LEU QD 5.000 . 7.400 4.682 4.545 4.958 . 0 0 "[ . 1 . 2]" 1
184 1 30 SER QB 1 34 PHE QB 5.000 . 7.000 3.351 3.196 3.685 . 0 0 "[ . 1 . 2]" 1
185 1 30 SER QB 1 36 LEU QD 2.700 . 6.100 2.804 2.565 3.093 . 0 0 "[ . 1 . 2]" 1
186 1 30 SER QB 1 36 LEU HG 5.000 . 6.000 4.810 4.496 5.119 . 0 0 "[ . 1 . 2]" 1
187 1 30 SER QB 1 55 LEU QD 5.000 . 8.400 4.704 4.542 5.200 . 0 0 "[ . 1 . 2]" 1
188 1 33 GLY QA 1 55 LEU QD 5.000 . 8.400 2.191 1.945 2.656 . 0 0 "[ . 1 . 2]" 1
189 1 34 PHE HA 1 36 LEU QD 5.000 . 7.400 4.677 4.531 4.848 . 0 0 "[ . 1 . 2]" 1
190 1 34 PHE HA 1 54 ASP HA 3.300 . 3.300 3.290 3.181 3.314 0.014 4 0 "[ . 1 . 2]" 1
191 1 34 PHE HA 1 55 LEU QB 5.000 . 6.000 3.404 3.281 3.507 . 0 0 "[ . 1 . 2]" 1
192 1 34 PHE HA 1 55 LEU QD 3.300 . 5.700 2.855 2.020 3.319 . 0 0 "[ . 1 . 2]" 1
193 1 34 PHE HA 1 55 LEU HG 5.000 . 5.000 3.455 2.788 4.252 . 0 0 "[ . 1 . 2]" 1
194 1 34 PHE QB 1 36 LEU QD 3.300 . 6.700 2.848 2.687 3.020 . 0 0 "[ . 1 . 2]" 1
195 1 35 LEU HA 1 35 LEU QD 2.700 . 4.400 2.069 2.017 2.336 . 0 0 "[ . 1 . 2]" 1
196 1 35 LEU HA 1 36 LEU QD 5.000 . 7.400 3.269 2.789 3.848 . 0 0 "[ . 1 . 2]" 1
197 1 35 LEU HA 1 55 LEU QD 5.000 . 7.400 3.107 2.885 3.331 . 0 0 "[ . 1 . 2]" 1
198 1 35 LEU QB 1 55 LEU QD 5.000 . 8.400 2.230 1.844 2.402 . 0 0 "[ . 1 . 2]" 1
199 1 35 LEU QD 1 119 ILE MD 2.700 . 6.600 2.530 2.398 2.662 . 0 0 "[ . 1 . 2]" 1
200 1 35 LEU QD 1 119 ILE MG 3.300 . 7.200 3.015 2.518 3.322 . 0 0 "[ . 1 . 2]" 1
201 1 35 LEU QD 1 55 LEU QD 2.700 . 7.500 2.873 2.592 3.050 . 0 0 "[ . 1 . 2]" 1
202 1 35 LEU QD 1 55 LEU HG 3.300 . 5.700 3.916 3.653 4.130 . 0 0 "[ . 1 . 2]" 1
203 1 35 LEU QD 1 94 ILE MD 3.300 . 7.200 2.673 2.406 2.898 . 0 0 "[ . 1 . 2]" 1
204 1 35 LEU QD 1 94 ILE MG 3.300 . 7.200 1.777 1.716 1.940 0.084 13 0 "[ . 1 . 2]" 1
205 1 36 LEU HA 1 36 LEU QD 2.700 . 4.400 3.143 2.903 3.300 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU HA 1 36 LEU HG 3.300 . 3.300 2.815 2.689 3.044 . 0 0 "[ . 1 . 2]" 1
207 1 36 LEU HA 1 52 GLU HA 3.300 . 3.300 2.181 2.019 2.267 . 0 0 "[ . 1 . 2]" 1
208 1 36 LEU HA 1 52 GLU QB 5.000 . 6.000 3.484 2.947 4.186 . 0 0 "[ . 1 . 2]" 1
209 1 36 LEU QD 1 52 GLU HA 2.700 . 5.100 3.599 3.096 3.881 . 0 0 "[ . 1 . 2]" 1
210 1 36 LEU QD 1 52 GLU QB 3.300 . 6.700 2.520 1.857 3.495 . 0 0 "[ . 1 . 2]" 1
211 1 36 LEU QD 1 52 GLU QG 3.300 . 6.700 2.962 1.761 4.086 0.039 11 0 "[ . 1 . 2]" 1
212 1 36 LEU HG 1 52 GLU HA 5.000 . 5.000 3.548 3.388 3.788 . 0 0 "[ . 1 . 2]" 1
213 1 38 HIS HA 1 39 PRO QD 5.000 . 6.000 2.073 2.004 2.245 . 0 0 "[ . 1 . 2]" 1
214 1 39 PRO QD 1 49 HIS QB 5.000 . 7.000 2.955 2.006 3.837 . 0 0 "[ . 1 . 2]" 1
215 1 39 PRO QD 1 43 ASP QB 2.700 . 4.700 2.180 1.971 2.333 . 0 0 "[ . 1 . 2]" 1
216 1 39 PRO QD 1 50 GLY QA 3.300 . 5.300 3.748 3.302 4.076 . 0 0 "[ . 1 . 2]" 1
217 1 38 HIS QB 1 50 GLY QA 5.000 . 7.000 3.193 2.991 3.407 . 0 0 "[ . 1 . 2]" 1
218 1 39 PRO QG 1 49 HIS QB 3.300 . 5.300 3.272 2.067 4.184 . 0 0 "[ . 1 . 2]" 1
219 1 41 ILE HA 1 41 ILE MD 3.300 . 4.800 3.056 2.903 3.133 . 0 0 "[ . 1 . 2]" 1
220 1 41 ILE HA 1 41 ILE MG 2.700 . 4.200 2.464 2.418 2.536 . 0 0 "[ . 1 . 2]" 1
221 1 41 ILE HA 1 44 TYR QB 5.000 . 6.000 2.463 2.367 2.577 . 0 0 "[ . 1 . 2]" 1
222 1 41 ILE HA 1 45 ILE MD 5.000 . 6.500 4.374 4.226 4.472 . 0 0 "[ . 1 . 2]" 1
223 1 41 ILE HB 1 41 ILE MD 2.700 . 4.200 2.177 2.128 2.241 . 0 0 "[ . 1 . 2]" 1
224 1 41 ILE MD 1 41 ILE MG 2.700 . 5.700 3.195 3.171 3.217 . 0 0 "[ . 1 . 2]" 1
225 1 41 ILE MG 1 42 ASN HA 5.000 . 6.500 3.320 3.203 3.432 . 0 0 "[ . 1 . 2]" 1
226 1 41 ILE MG 1 42 ASN QB 5.000 . 7.500 4.559 4.169 4.685 . 0 0 "[ . 1 . 2]" 1
227 1 41 ILE MG 1 45 ILE HA 5.000 . 6.500 4.494 4.365 4.615 . 0 0 "[ . 1 . 2]" 1
228 1 41 ILE MG 1 45 ILE HB 5.000 . 6.500 3.159 3.063 3.261 . 0 0 "[ . 1 . 2]" 1
229 1 41 ILE MG 1 45 ILE MD 2.700 . 5.700 1.761 1.711 1.828 0.089 16 0 "[ . 1 . 2]" 1
230 1 41 ILE MG 1 45 ILE QG 3.300 . 5.800 2.376 2.138 2.494 . 0 0 "[ . 1 . 2]" 1
231 1 41 ILE MG 1 45 ILE MG 3.300 . 6.300 3.920 3.842 3.996 . 0 0 "[ . 1 . 2]" 1
232 1 42 ASN HA 1 45 ILE HB 3.300 . 3.300 2.680 2.609 2.754 . 0 0 "[ . 1 . 2]" 1
233 1 42 ASN HA 1 45 ILE MD 2.700 . 4.200 3.127 3.116 3.155 . 0 0 "[ . 1 . 2]" 1
234 1 42 ASN HA 1 45 ILE QG 5.000 . 6.000 4.421 4.303 4.551 . 0 0 "[ . 1 . 2]" 1
235 1 42 ASN HA 1 45 ILE MG 3.300 . 4.800 3.667 3.596 3.738 . 0 0 "[ . 1 . 2]" 1
236 1 42 ASN QB 1 45 ILE HB 5.000 . 6.000 4.591 4.418 4.674 . 0 0 "[ . 1 . 2]" 1
237 1 42 ASN QB 1 45 ILE MD 5.000 . 7.500 4.727 4.355 4.857 . 0 0 "[ . 1 . 2]" 1
238 1 42 ASN QB 1 45 ILE MG 5.000 . 7.500 4.837 4.631 4.940 . 0 0 "[ . 1 . 2]" 1
239 1 43 ASP HA 1 46 HIS QB 3.300 . 4.300 3.435 3.418 3.448 . 0 0 "[ . 1 . 2]" 1
240 1 43 ASP HA 1 48 THR MG 3.300 . 4.800 2.498 1.810 3.548 . 0 0 "[ . 1 . 2]" 1
241 1 44 TYR HA 1 47 SER HA 5.000 . 5.000 3.471 3.331 3.559 . 0 0 "[ . 1 . 2]" 1
242 1 45 ILE HA 1 45 ILE MD 3.300 . 4.800 3.785 3.780 3.790 . 0 0 "[ . 1 . 2]" 1
243 1 45 ILE HA 1 45 ILE QG 3.300 . 4.300 2.291 2.281 2.299 . 0 0 "[ . 1 . 2]" 1
244 1 45 ILE HA 1 45 ILE MG 2.700 . 4.200 2.641 2.627 2.663 . 0 0 "[ . 1 . 2]" 1
245 1 45 ILE HB 1 45 ILE MD 2.700 . 4.200 2.232 2.169 2.302 . 0 0 "[ . 1 . 2]" 1
246 1 45 ILE MD 1 45 ILE MG 2.700 . 5.700 2.157 2.053 2.258 . 0 0 "[ . 1 . 2]" 1
247 1 45 ILE QG 1 45 ILE MG 2.700 . 5.200 2.286 2.247 2.320 . 0 0 "[ . 1 . 2]" 1
248 1 45 ILE MG 1 46 HIS HA 5.000 . 6.500 2.866 2.856 2.877 . 0 0 "[ . 1 . 2]" 1
249 1 46 HIS HA 1 48 THR MG 5.000 . 6.500 4.707 4.441 5.059 . 0 0 "[ . 1 . 2]" 1
250 1 46 HIS QB 1 48 THR MG 2.700 . 5.200 2.511 2.315 2.706 . 0 0 "[ . 1 . 2]" 1
251 1 48 THR HA 1 48 THR HB 2.700 . 2.700 2.419 2.400 2.446 . 0 0 "[ . 1 . 2]" 1
252 1 48 THR HA 1 48 THR MG 2.700 . 4.200 2.467 2.365 2.554 . 0 0 "[ . 1 . 2]" 1
253 1 51 LYS HA 1 51 LYS QD 3.300 . 4.300 2.958 2.050 3.875 . 0 0 "[ . 1 . 2]" 1
254 1 51 LYS HA 1 51 LYS QE 5.000 . 6.000 3.554 2.094 4.641 . 0 0 "[ . 1 . 2]" 1
255 1 51 LYS HA 1 51 LYS QG 3.300 . 4.300 2.247 2.025 2.688 . 0 0 "[ . 1 . 2]" 1
256 1 51 LYS QE 1 51 LYS QG 3.300 . 5.300 2.126 1.944 2.392 . 0 0 "[ . 1 . 2]" 1
257 1 53 MET HA 1 53 MET ME 3.300 . 4.800 3.892 3.867 3.918 . 0 0 "[ . 1 . 2]" 1
258 1 53 MET HA 1 53 MET QG 3.300 . 4.300 2.871 2.595 3.326 . 0 0 "[ . 1 . 2]" 1
259 1 53 MET QB 1 53 MET ME 3.300 . 5.800 1.814 1.759 1.852 0.041 9 0 "[ . 1 . 2]" 1
260 1 53 MET ME 1 100 GLN HA 5.000 . 6.500 5.134 4.590 5.281 . 0 0 "[ . 1 . 2]" 1
261 1 53 MET ME 1 100 GLN QB 2.700 . 5.200 3.164 2.278 3.409 . 0 0 "[ . 1 . 2]" 1
262 1 53 MET ME 1 100 GLN QG 3.300 . 5.800 3.494 2.435 3.997 . 0 0 "[ . 1 . 2]" 1
263 1 53 MET ME 1 101 THR HA 3.300 . 4.800 3.448 3.260 3.889 . 0 0 "[ . 1 . 2]" 1
264 1 53 MET ME 1 102 TRP HA 5.000 . 6.500 4.028 3.853 4.475 . 0 0 "[ . 1 . 2]" 1
265 1 53 MET ME 1 102 TRP QB 5.000 . 7.500 2.467 2.248 3.118 . 0 0 "[ . 1 . 2]" 1
266 1 53 MET ME 1 53 MET QG 2.700 . 5.200 2.575 2.411 2.658 . 0 0 "[ . 1 . 2]" 1
267 1 53 MET ME 1 58 THR MG 2.700 . 5.700 3.542 3.406 3.833 . 0 0 "[ . 1 . 2]" 1
268 1 53 MET ME 1 94 ILE HB 5.000 . 6.500 2.361 1.949 3.494 . 0 0 "[ . 1 . 2]" 1
269 1 53 MET ME 1 94 ILE MG 2.700 . 5.700 2.292 1.877 3.375 . 0 0 "[ . 1 . 2]" 1
270 1 53 MET ME 1 95 VAL HA 5.000 . 6.500 3.920 3.745 4.246 . 0 0 "[ . 1 . 2]" 1
271 1 53 MET ME 1 96 SER HA 5.000 . 6.500 4.429 3.607 4.836 . 0 0 "[ . 1 . 2]" 1
272 1 53 MET ME 1 96 SER QB 2.700 . 5.200 2.998 1.884 3.715 . 0 0 "[ . 1 . 2]" 1
273 1 53 MET ME 1 98 THR MG 5.000 . 8.000 5.156 4.299 5.472 . 0 0 "[ . 1 . 2]" 1
274 1 53 MET QG 1 55 LEU QD 5.000 . 8.400 3.469 3.096 3.857 . 0 0 "[ . 1 . 2]" 1
275 1 53 MET QG 1 58 THR MG 3.300 . 5.800 2.367 1.897 3.487 . 0 0 "[ . 1 . 2]" 1
276 1 53 MET QG 1 94 ILE MG 5.000 . 7.500 2.795 2.425 3.592 . 0 0 "[ . 1 . 2]" 1
277 1 53 MET QG 1 96 SER QB 3.300 . 5.300 3.320 2.397 4.166 . 0 0 "[ . 1 . 2]" 1
278 1 54 ASP HA 1 55 LEU QD 5.000 . 7.400 4.510 3.838 4.697 . 0 0 "[ . 1 . 2]" 1
279 1 55 LEU HA 1 55 LEU QD 2.700 . 4.400 2.308 1.938 2.887 . 0 0 "[ . 1 . 2]" 1
280 1 55 LEU HA 1 58 THR MG 2.700 . 4.200 2.602 2.219 2.925 . 0 0 "[ . 1 . 2]" 1
281 1 55 LEU HA 1 94 ILE MG 5.000 . 6.500 4.921 4.653 5.127 . 0 0 "[ . 1 . 2]" 1
282 1 55 LEU QD 1 119 ILE HA 5.000 . 7.400 2.011 1.826 2.181 . 0 0 "[ . 1 . 2]" 1
283 1 55 LEU QD 1 119 ILE MG 2.700 . 6.600 1.844 1.705 1.913 0.095 14 0 "[ . 1 . 2]" 1
284 1 55 LEU QD 1 122 GLN HA 5.000 . 7.400 3.918 3.804 4.036 . 0 0 "[ . 1 . 2]" 1
285 1 55 LEU QD 1 122 GLN QB 3.300 . 6.700 1.754 1.684 1.830 0.116 6 0 "[ . 1 . 2]" 1
286 1 55 LEU QD 1 122 GLN QG 3.300 . 6.700 1.972 1.828 2.255 . 0 0 "[ . 1 . 2]" 1
287 1 55 LEU QD 1 123 ILE MG 3.300 . 7.200 4.091 3.986 4.200 . 0 0 "[ . 1 . 2]" 1
288 1 55 LEU QD 1 58 THR HB 5.000 . 7.400 3.237 2.819 3.703 . 0 0 "[ . 1 . 2]" 1
289 1 55 LEU QD 1 94 ILE MD 3.300 . 7.200 4.031 3.876 4.136 . 0 0 "[ . 1 . 2]" 1
290 1 56 LEU HA 1 123 ILE MG 3.300 . 4.800 3.718 3.663 3.869 . 0 0 "[ . 1 . 2]" 1
291 1 56 LEU HA 1 56 LEU QD 2.700 . 4.400 2.490 1.951 3.012 . 0 0 "[ . 1 . 2]" 1
292 1 56 LEU HA 1 56 LEU HG 3.300 . 3.300 2.417 2.181 3.037 . 0 0 "[ . 1 . 2]" 1
293 1 56 LEU QB 1 56 LEU QD 2.700 . 6.100 1.879 1.757 1.950 0.043 2 0 "[ . 1 . 2]" 1
294 1 56 LEU QD 1 123 ILE HA 5.000 . 7.400 4.941 4.433 5.314 . 0 0 "[ . 1 . 2]" 1
295 1 56 LEU QD 1 126 SER HA 5.000 . 7.400 4.033 3.452 4.448 . 0 0 "[ . 1 . 2]" 1
296 1 56 LEU QD 1 126 SER QB 3.300 . 6.700 2.657 1.826 3.552 . 0 0 "[ . 1 . 2]" 1
297 1 56 LEU QD 1 127 LEU HA 3.300 . 5.700 3.452 2.841 4.269 . 0 0 "[ . 1 . 2]" 1
298 1 56 LEU QD 1 127 LEU QD 2.700 . 7.500 3.265 2.616 3.856 . 0 0 "[ . 1 . 2]" 1
299 1 58 THR HA 1 58 THR MG 2.700 . 4.200 2.208 2.155 2.233 . 0 0 "[ . 1 . 2]" 1
300 1 58 THR HA 1 94 ILE MG 5.000 . 6.500 4.778 4.649 4.927 . 0 0 "[ . 1 . 2]" 1
301 1 58 THR HA 1 96 SER HA 3.300 . 3.300 2.793 2.524 3.089 . 0 0 "[ . 1 . 2]" 1
302 1 58 THR HB 1 123 ILE MD 5.000 . 6.500 2.578 2.211 3.003 . 0 0 "[ . 1 . 2]" 1
303 1 58 THR HB 1 94 ILE MG 3.300 . 4.800 3.089 2.844 3.399 . 0 0 "[ . 1 . 2]" 1
304 1 58 THR HB 1 96 SER HA 5.000 . 5.000 4.119 3.961 4.273 . 0 0 "[ . 1 . 2]" 1
305 1 58 THR MG 1 123 ILE MD 3.300 . 6.300 3.783 3.478 4.106 . 0 0 "[ . 1 . 2]" 1
306 1 58 THR MG 1 94 ILE HB 5.000 . 6.500 4.724 4.547 4.924 . 0 0 "[ . 1 . 2]" 1
307 1 58 THR MG 1 94 ILE MG 2.700 . 5.700 2.648 2.474 2.786 . 0 0 "[ . 1 . 2]" 1
308 1 58 THR MG 1 96 SER HA 2.700 . 4.200 1.838 1.797 1.954 0.003 2 0 "[ . 1 . 2]" 1
309 1 58 THR MG 1 96 SER QB 3.300 . 5.800 3.096 2.534 3.489 . 0 0 "[ . 1 . 2]" 1
310 1 59 THR HA 1 123 ILE MD 3.300 . 4.800 3.294 3.097 3.434 . 0 0 "[ . 1 . 2]" 1
311 1 59 THR HA 1 123 ILE QG 5.000 . 6.000 5.161 4.880 5.335 . 0 0 "[ . 1 . 2]" 1
312 1 59 THR HA 1 123 ILE MG 5.000 . 6.500 4.496 4.161 4.845 . 0 0 "[ . 1 . 2]" 1
313 1 59 THR HA 1 59 THR MG 2.700 . 4.200 2.100 2.001 2.224 . 0 0 "[ . 1 . 2]" 1
314 1 59 THR HA 1 60 VAL QG 5.000 . 7.400 3.259 3.120 3.640 . 0 0 "[ . 1 . 2]" 1
315 1 59 THR HB 1 61 LYS QG 5.000 . 6.000 4.502 3.253 5.228 . 0 0 "[ . 1 . 2]" 1
316 1 59 THR HB 1 95 VAL HB 3.300 . 3.300 2.725 2.380 3.255 . 0 0 "[ . 1 . 2]" 1
317 1 59 THR HB 1 95 VAL QG 2.700 . 5.100 3.108 2.644 3.491 . 0 0 "[ . 1 . 2]" 1
318 1 59 THR MG 1 60 VAL HA 5.000 . 6.500 4.715 4.218 5.269 . 0 0 "[ . 1 . 2]" 1
319 1 59 THR MG 1 61 LYS QE 2.700 . 5.200 3.560 3.037 3.774 . 0 0 "[ . 1 . 2]" 1
320 1 59 THR MG 1 95 VAL HB 3.300 . 4.800 4.040 3.960 4.067 . 0 0 "[ . 1 . 2]" 1
321 1 59 THR MG 1 95 VAL QG 2.700 . 6.600 3.863 3.643 3.965 . 0 0 "[ . 1 . 2]" 1
322 1 60 VAL HA 1 60 VAL QG 2.700 . 4.400 2.158 2.030 2.294 . 0 0 "[ . 1 . 2]" 1
323 1 60 VAL HA 1 94 ILE HA 3.300 . 3.300 3.050 2.821 3.174 . 0 0 "[ . 1 . 2]" 1
324 1 60 VAL HA 1 94 ILE MD 3.300 . 4.800 3.526 3.185 3.678 . 0 0 "[ . 1 . 2]" 1
325 1 60 VAL HA 1 94 ILE MG 5.000 . 6.500 4.461 4.213 4.613 . 0 0 "[ . 1 . 2]" 1
326 1 60 VAL HA 1 95 VAL QG 5.000 . 7.400 4.096 3.927 4.350 . 0 0 "[ . 1 . 2]" 1
327 1 60 VAL HB 1 116 VAL QG 5.000 . 7.400 3.184 2.283 3.921 . 0 0 "[ . 1 . 2]" 1
328 1 60 VAL HB 1 119 ILE MG 5.000 . 6.500 4.391 2.364 5.012 . 0 0 "[ . 1 . 2]" 1
329 1 60 VAL HB 1 123 ILE MD 5.000 . 6.500 5.157 3.707 5.490 . 0 0 "[ . 1 . 2]" 1
330 1 60 VAL HB 1 94 ILE MD 5.000 . 6.500 4.400 3.066 5.363 . 0 0 "[ . 1 . 2]" 1
331 1 60 VAL QG 1 116 VAL HA 3.300 . 5.700 2.933 2.289 3.453 . 0 0 "[ . 1 . 2]" 1
332 1 60 VAL QG 1 116 VAL QG 2.700 . 7.500 2.161 1.732 2.764 0.068 15 0 "[ . 1 . 2]" 1
333 1 60 VAL QG 1 119 ILE HB 5.000 . 7.400 2.732 2.098 3.293 . 0 0 "[ . 1 . 2]" 1
334 1 60 VAL QG 1 119 ILE MG 2.700 . 6.600 2.166 1.812 2.821 . 0 0 "[ . 1 . 2]" 1
335 1 60 VAL QG 1 120 GLU HA 5.000 . 7.400 3.543 3.340 3.754 . 0 0 "[ . 1 . 2]" 1
336 1 60 VAL QG 1 120 GLU QG 3.300 . 6.700 2.319 1.759 4.212 0.041 8 0 "[ . 1 . 2]" 1
337 1 60 VAL QG 1 123 ILE MD 2.700 . 6.600 2.931 2.764 3.450 . 0 0 "[ . 1 . 2]" 1
338 1 60 VAL QG 1 61 LYS HA 5.000 . 7.400 3.812 3.167 4.156 . 0 0 "[ . 1 . 2]" 1
339 1 60 VAL QG 1 92 PHE HA 5.000 . 7.400 4.570 3.742 5.555 . 0 0 "[ . 1 . 2]" 1
340 1 60 VAL QG 1 92 PHE QB 5.000 . 8.400 3.051 2.306 3.980 . 0 0 "[ . 1 . 2]" 1
341 1 60 VAL QG 1 94 ILE HA 5.000 . 7.400 3.246 2.867 3.558 . 0 0 "[ . 1 . 2]" 1
342 1 60 VAL QG 1 94 ILE MD 2.700 . 6.600 2.433 2.064 2.856 . 0 0 "[ . 1 . 2]" 1
343 1 60 VAL QG 1 94 ILE MG 2.700 . 6.600 3.497 3.162 3.889 . 0 0 "[ . 1 . 2]" 1
344 1 61 LYS HA 1 61 LYS QE 5.000 . 6.000 4.175 2.643 5.348 . 0 0 "[ . 1 . 2]" 1
345 1 61 LYS HA 1 61 LYS QG 3.300 . 4.300 2.715 2.011 3.447 . 0 0 "[ . 1 . 2]" 1
346 1 61 LYS HA 1 62 VAL QG 5.000 . 7.400 3.255 3.074 3.439 . 0 0 "[ . 1 . 2]" 1
347 1 61 LYS QB 1 61 LYS QD 3.300 . 5.300 2.157 1.960 2.388 . 0 0 "[ . 1 . 2]" 1
348 1 61 LYS QB 1 93 LEU QB 5.000 . 7.000 2.971 1.839 4.528 . 0 0 "[ . 1 . 2]" 1
349 1 61 LYS QB 1 93 LEU QD 5.000 . 8.400 2.953 1.869 4.170 . 0 0 "[ . 1 . 2]" 1
350 1 61 LYS QB 1 95 VAL QG 5.000 . 8.400 3.585 2.501 4.750 . 0 0 "[ . 1 . 2]" 1
351 1 61 LYS QD 1 93 LEU QD 3.300 . 6.700 3.488 3.003 4.165 . 0 0 "[ . 1 . 2]" 1
352 1 61 LYS QD 1 95 VAL QG 3.300 . 6.700 2.737 1.823 3.650 . 0 0 "[ . 1 . 2]" 1
353 1 61 LYS QE 1 61 LYS QG 2.700 . 4.700 2.144 1.946 2.595 . 0 0 "[ . 1 . 2]" 1
354 1 61 LYS QE 1 93 LEU QD 3.300 . 6.700 4.299 3.947 4.441 . 0 0 "[ . 1 . 2]" 1
355 1 61 LYS QE 1 95 VAL QG 2.700 . 6.100 1.879 1.717 2.129 0.083 7 0 "[ . 1 . 2]" 1
356 1 61 LYS QG 1 93 LEU QD 5.000 . 8.400 3.146 2.165 4.815 . 0 0 "[ . 1 . 2]" 1
357 1 61 LYS QG 1 95 VAL QG 3.300 . 6.700 3.372 2.312 3.990 . 0 0 "[ . 1 . 2]" 1
358 1 62 VAL HA 1 62 VAL QG 2.700 . 4.400 2.130 2.044 2.238 . 0 0 "[ . 1 . 2]" 1
359 1 62 VAL HA 1 63 PRO QD 3.300 . 4.300 2.012 1.830 2.175 . 0 0 "[ . 1 . 2]" 1
360 1 62 VAL HA 1 63 PRO QG 5.000 . 6.000 3.922 3.730 4.078 . 0 0 "[ . 1 . 2]" 1
361 1 62 VAL HA 1 92 PHE HA 5.000 . 5.000 2.995 2.304 3.483 . 0 0 "[ . 1 . 2]" 1
362 1 62 VAL HA 1 93 LEU QD 5.000 . 7.400 2.713 2.037 3.593 . 0 0 "[ . 1 . 2]" 1
363 1 62 VAL QG 1 116 VAL QG 2.700 . 7.500 3.520 2.997 3.878 . 0 0 "[ . 1 . 2]" 1
364 1 62 VAL QG 1 63 PRO QD 5.000 . 8.400 2.327 1.767 3.248 0.033 9 0 "[ . 1 . 2]" 1
365 1 62 VAL QG 1 65 LYS QB 5.000 . 8.400 3.251 1.767 5.218 0.033 11 0 "[ . 1 . 2]" 1
366 1 62 VAL QG 1 65 LYS QD 3.300 . 6.700 3.476 2.403 4.237 . 0 0 "[ . 1 . 2]" 1
367 1 62 VAL QG 1 65 LYS QE 5.000 . 8.400 4.002 1.931 5.139 . 0 0 "[ . 1 . 2]" 1
368 1 62 VAL QG 1 65 LYS QG 5.000 . 8.400 3.574 2.224 4.966 . 0 0 "[ . 1 . 2]" 1
369 1 62 VAL QG 1 92 PHE HA 5.000 . 7.400 2.681 1.945 3.449 . 0 0 "[ . 1 . 2]" 1
370 1 62 VAL QG 1 92 PHE QB 5.000 . 8.400 3.219 2.680 3.726 . 0 0 "[ . 1 . 2]" 1
371 1 63 PRO HA 1 93 LEU QD 5.000 . 7.400 3.303 1.905 4.329 . 0 0 "[ . 1 . 2]" 1
372 1 63 PRO QB 1 93 LEU QD 3.300 . 6.700 3.031 2.246 3.974 . 0 0 "[ . 1 . 2]" 1
373 1 63 PRO QD 1 92 PHE HA 5.000 . 6.000 3.389 2.802 4.015 . 0 0 "[ . 1 . 2]" 1
374 1 63 PRO QD 1 93 LEU QD 3.300 . 6.700 2.084 1.802 2.601 . 0 0 "[ . 1 . 2]" 1
375 1 63 PRO QG 1 93 LEU QD 3.300 . 6.700 2.846 1.922 3.777 . 0 0 "[ . 1 . 2]" 1
376 1 65 LYS HA 1 65 LYS QD 3.300 . 4.300 3.387 1.981 3.903 . 0 0 "[ . 1 . 2]" 1
377 1 65 LYS HA 1 65 LYS QG 3.300 . 4.300 2.359 2.009 3.435 . 0 0 "[ . 1 . 2]" 1
378 1 65 LYS QB 1 65 LYS QD 3.300 . 5.300 2.113 1.950 2.379 . 0 0 "[ . 1 . 2]" 1
379 1 65 LYS QE 1 65 LYS QG 3.300 . 5.300 2.144 1.938 2.486 . 0 0 "[ . 1 . 2]" 1
380 1 66 ARG HA 1 66 ARG QG 3.300 . 4.300 2.498 2.007 3.344 . 0 0 "[ . 1 . 2]" 1
381 1 66 ARG HA 1 67 PRO QD 2.700 . 3.700 2.204 2.056 2.299 . 0 0 "[ . 1 . 2]" 1
382 1 66 ARG HA 1 67 PRO QG 5.000 . 6.000 4.083 3.937 4.233 . 0 0 "[ . 1 . 2]" 1
383 1 66 ARG QB 1 67 PRO QD 5.000 . 7.000 1.948 1.793 2.116 0.007 17 0 "[ . 1 . 2]" 1
384 1 66 ARG QG 1 67 PRO QD 3.300 . 5.300 2.666 1.837 3.621 . 0 0 "[ . 1 . 2]" 1
385 1 67 PRO HA 1 67 PRO QD 3.300 . 4.300 3.293 3.161 3.430 . 0 0 "[ . 1 . 2]" 1
386 1 67 PRO HA 1 67 PRO QG 3.300 . 4.300 3.241 2.854 3.507 . 0 0 "[ . 1 . 2]" 1
387 1 67 PRO HA 1 68 PRO QD 2.700 . 3.700 1.962 1.873 2.062 . 0 0 "[ . 1 . 2]" 1
388 1 67 PRO QB 1 67 PRO QD 3.300 . 5.300 2.758 2.741 2.794 . 0 0 "[ . 1 . 2]" 1
389 1 67 PRO QB 1 68 PRO QD 3.300 . 5.300 3.081 2.546 3.292 . 0 0 "[ . 1 . 2]" 1
390 1 68 PRO HA 1 68 PRO QG 3.300 . 4.300 3.276 2.863 3.526 . 0 0 "[ . 1 . 2]" 1
391 1 69 ARG HA 1 69 ARG QD 3.300 . 4.300 3.093 1.977 3.919 . 0 0 "[ . 1 . 2]" 1
392 1 69 ARG HA 1 69 ARG QG 2.700 . 3.700 2.370 2.004 2.752 . 0 0 "[ . 1 . 2]" 1
393 1 69 ARG QB 1 69 ARG QD 3.300 . 5.300 2.140 1.926 2.672 . 0 0 "[ . 1 . 2]" 1
394 1 71 ILE HA 1 71 ILE MD 3.300 . 4.800 3.410 1.968 3.916 . 0 0 "[ . 1 . 2]" 1
395 1 71 ILE HA 1 71 ILE QG 3.300 . 4.300 2.586 2.396 3.041 . 0 0 "[ . 1 . 2]" 1
396 1 71 ILE HA 1 71 ILE MG 2.700 . 4.200 2.298 2.121 2.414 . 0 0 "[ . 1 . 2]" 1
397 1 71 ILE HB 1 71 ILE MD 2.700 . 4.200 2.423 2.008 3.229 . 0 0 "[ . 1 . 2]" 1
398 1 71 ILE MD 1 71 ILE MG 2.700 . 5.700 2.487 1.791 3.102 0.009 12 0 "[ . 1 . 2]" 1
399 1 75 GLY QA 1 76 PRO QD 2.700 . 4.700 2.027 1.898 2.309 . 0 0 "[ . 1 . 2]" 1
400 1 76 PRO HA 1 76 PRO QG 3.300 . 4.300 3.231 2.883 3.508 . 0 0 "[ . 1 . 2]" 1
401 1 83 GLY QA 1 84 GLN QG 5.000 . 7.000 4.842 3.519 5.564 . 0 0 "[ . 1 . 2]" 1
402 1 84 GLN HA 1 84 GLN QG 2.700 . 3.700 2.339 2.094 2.571 . 0 0 "[ . 1 . 2]" 1
403 1 86 GLU HA 1 86 GLU QG 2.700 . 3.700 2.313 2.078 3.340 . 0 0 "[ . 1 . 2]" 1
404 1 87 GLU HA 1 87 GLU QG 2.700 . 3.700 2.394 2.057 3.336 . 0 0 "[ . 1 . 2]" 1
405 1 88 GLU HA 1 88 GLU QG 3.300 . 4.300 2.481 2.061 3.401 . 0 0 "[ . 1 . 2]" 1
406 1 90 PHE HA 1 106 ALA MB 5.000 . 6.500 5.265 5.201 5.299 . 0 0 "[ . 1 . 2]" 1
407 1 90 PHE QB 1 106 ALA MB 5.000 . 7.500 3.054 2.823 3.219 . 0 0 "[ . 1 . 2]" 1
408 1 91 GLU HA 1 105 GLU HA 3.300 . 3.300 2.224 1.988 2.441 . 0 0 "[ . 1 . 2]" 1
409 1 91 GLU QB 1 105 GLU HA 5.000 . 6.000 3.173 2.843 3.707 . 0 0 "[ . 1 . 2]" 1
410 1 92 PHE HA 1 116 VAL QG 5.000 . 7.400 4.010 3.710 4.839 . 0 0 "[ . 1 . 2]" 1
411 1 92 PHE HA 1 93 LEU QD 5.000 . 7.400 3.736 3.076 4.396 . 0 0 "[ . 1 . 2]" 1
412 1 92 PHE QB 1 116 VAL QG 5.000 . 8.400 2.131 1.826 2.936 . 0 0 "[ . 1 . 2]" 1
413 1 93 LEU HA 1 101 THR MG 5.000 . 6.500 3.924 3.708 4.129 . 0 0 "[ . 1 . 2]" 1
414 1 93 LEU HA 1 103 HIS HA 3.300 . 3.300 2.162 2.037 2.311 . 0 0 "[ . 1 . 2]" 1
415 1 93 LEU HA 1 93 LEU QD 3.300 . 5.000 2.784 2.394 3.050 . 0 0 "[ . 1 . 2]" 1
416 1 93 LEU HA 1 94 ILE MD 5.000 . 6.500 3.779 3.541 3.949 . 0 0 "[ . 1 . 2]" 1
417 1 93 LEU QB 1 101 THR MG 3.300 . 5.800 2.437 2.076 2.771 . 0 0 "[ . 1 . 2]" 1
418 1 93 LEU QB 1 103 HIS HA 5.000 . 6.000 3.728 3.481 3.961 . 0 0 "[ . 1 . 2]" 1
419 1 93 LEU QB 1 93 LEU QD 2.700 . 6.100 1.821 1.729 1.871 0.071 1 0 "[ . 1 . 2]" 1
420 1 93 LEU QB 1 95 VAL QG 3.300 . 6.700 3.062 2.882 3.159 . 0 0 "[ . 1 . 2]" 1
421 1 93 LEU QD 1 101 THR HB 3.300 . 5.700 3.540 3.367 3.719 . 0 0 "[ . 1 . 2]" 1
422 1 93 LEU QD 1 101 THR MG 2.700 . 6.600 1.892 1.779 2.016 0.021 6 0 "[ . 1 . 2]" 1
423 1 93 LEU QD 1 103 HIS HA 3.300 . 5.700 2.650 2.207 3.059 . 0 0 "[ . 1 . 2]" 1
424 1 93 LEU QD 1 103 HIS QB 5.000 . 8.400 1.821 1.780 1.922 0.020 8 0 "[ . 1 . 2]" 1
425 1 93 LEU QD 1 95 VAL QG 2.700 . 7.500 3.533 3.357 3.618 . 0 0 "[ . 1 . 2]" 1
426 1 93 LEU HG 1 101 THR MG 5.000 . 6.500 4.112 3.910 4.287 . 0 0 "[ . 1 . 2]" 1
427 1 93 LEU HG 1 103 HIS HA 3.300 . 3.300 2.700 2.411 3.195 . 0 0 "[ . 1 . 2]" 1
428 1 94 ILE HA 1 94 ILE MD 3.300 . 4.800 2.315 2.116 2.406 . 0 0 "[ . 1 . 2]" 1
429 1 94 ILE HA 1 94 ILE MG 3.300 . 4.800 2.282 2.211 2.361 . 0 0 "[ . 1 . 2]" 1
430 1 94 ILE HA 1 95 VAL QG 5.000 . 7.400 3.799 3.656 3.909 . 0 0 "[ . 1 . 2]" 1
431 1 94 ILE HB 1 102 TRP QB 5.000 . 6.000 1.864 1.777 2.101 0.023 17 0 "[ . 1 . 2]" 1
432 1 94 ILE HB 1 94 ILE MD 3.300 . 4.800 3.217 3.213 3.225 . 0 0 "[ . 1 . 2]" 1
433 1 94 ILE MD 1 116 VAL QG 3.300 . 7.200 3.808 3.614 4.134 . 0 0 "[ . 1 . 2]" 1
434 1 94 ILE MD 1 119 ILE MG 2.700 . 5.700 2.231 1.935 2.497 . 0 0 "[ . 1 . 2]" 1
435 1 94 ILE MD 1 94 ILE MG 2.700 . 5.700 1.808 1.718 2.023 0.082 10 0 "[ . 1 . 2]" 1
436 1 94 ILE MG 1 102 TRP QB 5.000 . 7.500 3.301 3.178 3.518 . 0 0 "[ . 1 . 2]" 1
437 1 94 ILE MG 1 96 SER HA 5.000 . 6.500 4.502 4.306 4.698 . 0 0 "[ . 1 . 2]" 1
438 1 95 VAL HA 1 101 THR HA 2.700 . 2.700 2.287 2.218 2.358 . 0 0 "[ . 1 . 2]" 1
439 1 95 VAL HA 1 101 THR HB 5.000 . 5.000 4.779 4.664 4.938 . 0 0 "[ . 1 . 2]" 1
440 1 95 VAL HA 1 101 THR MG 3.300 . 4.800 2.858 2.486 3.144 . 0 0 "[ . 1 . 2]" 1
441 1 95 VAL HA 1 95 VAL QG 2.700 . 4.400 2.089 2.040 2.151 . 0 0 "[ . 1 . 2]" 1
442 1 95 VAL HB 1 101 THR MG 5.000 . 6.500 4.222 3.963 4.462 . 0 0 "[ . 1 . 2]" 1
443 1 95 VAL QG 1 101 THR HA 2.700 . 5.100 3.044 2.842 3.124 . 0 0 "[ . 1 . 2]" 1
444 1 95 VAL QG 1 101 THR MG 2.700 . 6.600 1.812 1.694 1.963 0.106 2 0 "[ . 1 . 2]" 1
445 1 95 VAL QG 1 96 SER HA 5.000 . 7.400 3.805 3.664 3.903 . 0 0 "[ . 1 . 2]" 1
446 1 95 VAL QG 1 99 GLY QA 3.300 . 6.700 3.146 2.953 3.297 . 0 0 "[ . 1 . 2]" 1
447 1 96 SER QB 1 100 GLN QB 3.300 . 5.300 2.321 1.923 3.233 . 0 0 "[ . 1 . 2]" 1
448 1 96 SER QB 1 98 THR MG 5.000 . 7.500 2.545 2.283 3.753 . 0 0 "[ . 1 . 2]" 1
449 1 97 SER HA 1 98 THR MG 5.000 . 6.500 4.924 4.469 5.027 . 0 0 "[ . 1 . 2]" 1
450 1 97 SER QB 1 98 THR MG 5.000 . 7.500 4.281 3.066 4.773 . 0 0 "[ . 1 . 2]" 1
451 1 98 THR HA 1 98 THR HB 2.700 . 2.700 2.409 2.327 2.465 . 0 0 "[ . 1 . 2]" 1
452 1 98 THR HA 1 98 THR MG 2.700 . 4.200 3.184 2.586 3.225 . 0 0 "[ . 1 . 2]" 1
453 1 100 GLN HA 1 100 GLN QG 2.700 . 3.700 2.234 2.010 2.701 . 0 0 "[ . 1 . 2]" 1
454 1 101 THR HA 1 101 THR MG 2.700 . 4.200 2.226 2.128 2.369 . 0 0 "[ . 1 . 2]" 1
455 1 101 THR MG 1 102 TRP HA 5.000 . 6.500 4.364 4.160 4.519 . 0 0 "[ . 1 . 2]" 1
456 1 101 THR MG 1 103 HIS HA 5.000 . 6.500 4.197 3.908 4.382 . 0 0 "[ . 1 . 2]" 1
457 1 101 THR MG 1 103 HIS QB 5.000 . 7.500 3.511 3.223 3.792 . 0 0 "[ . 1 . 2]" 1
458 1 105 GLU HA 1 105 GLU QG 3.300 . 4.300 2.407 2.120 2.533 . 0 0 "[ . 1 . 2]" 1
459 1 106 ALA MB 1 111 GLU HA 5.000 . 6.500 4.460 4.075 5.060 . 0 0 "[ . 1 . 2]" 1
460 1 106 ALA MB 1 111 GLU QB 3.300 . 5.800 2.456 1.929 3.242 . 0 0 "[ . 1 . 2]" 1
461 1 106 ALA MB 1 111 GLU QG 3.300 . 5.800 3.627 2.220 4.018 . 0 0 "[ . 1 . 2]" 1
462 1 106 ALA MB 1 112 ARG HA 3.300 . 4.800 1.953 1.834 2.211 . 0 0 "[ . 1 . 2]" 1
463 1 106 ALA MB 1 112 ARG QB 5.000 . 7.500 1.814 1.647 1.895 0.153 4 0 "[ . 1 . 2]" 1
464 1 106 ALA MB 1 112 ARG QG 3.300 . 5.800 2.885 1.902 3.441 . 0 0 "[ . 1 . 2]" 1
465 1 107 ALA MB 1 108 SER HA 5.000 . 6.500 4.036 3.854 4.111 . 0 0 "[ . 1 . 2]" 1
466 1 107 ALA MB 1 108 SER QB 5.000 . 7.500 3.778 3.226 4.247 . 0 0 "[ . 1 . 2]" 1
467 1 109 PHE HA 1 112 ARG QB 5.000 . 6.000 3.216 2.581 3.852 . 0 0 "[ . 1 . 2]" 1
468 1 110 GLU HA 1 110 GLU QG 3.300 . 4.300 2.325 2.010 3.340 . 0 0 "[ . 1 . 2]" 1
469 1 110 GLU HA 1 113 ASP QB 5.000 . 6.000 3.520 3.008 4.379 . 0 0 "[ . 1 . 2]" 1
470 1 111 GLU HA 1 111 GLU QG 3.300 . 4.300 2.223 2.014 2.425 . 0 0 "[ . 1 . 2]" 1
471 1 111 GLU HA 1 114 ALA MB 2.700 . 4.200 2.488 2.234 2.748 . 0 0 "[ . 1 . 2]" 1
472 1 111 GLU QG 1 114 ALA MB 5.000 . 7.500 3.211 2.928 3.490 . 0 0 "[ . 1 . 2]" 1
473 1 112 ARG QG 1 116 VAL QG 5.000 . 8.400 3.727 2.201 5.112 . 0 0 "[ . 1 . 2]" 1
474 1 113 ASP HA 1 116 VAL HB 3.300 . 3.300 2.770 2.537 3.326 0.026 15 0 "[ . 1 . 2]" 1
475 1 113 ASP HA 1 116 VAL QG 3.300 . 5.700 2.819 1.859 3.199 . 0 0 "[ . 1 . 2]" 1
476 1 114 ALA HA 1 117 GLN QB 3.300 . 4.300 2.656 2.485 2.849 . 0 0 "[ . 1 . 2]" 1
477 1 114 ALA HA 1 117 GLN QG 5.000 . 6.000 4.355 3.203 4.804 . 0 0 "[ . 1 . 2]" 1
478 1 114 ALA MB 1 115 TRP HA 5.000 . 6.500 3.740 3.681 3.803 . 0 0 "[ . 1 . 2]" 1
479 1 114 ALA MB 1 117 GLN QB 3.300 . 5.800 4.022 3.913 4.104 . 0 0 "[ . 1 . 2]" 1
480 1 115 TRP HA 1 118 ALA MB 3.300 . 4.800 2.233 2.166 2.311 . 0 0 "[ . 1 . 2]" 1
481 1 115 TRP HA 1 119 ILE MD 5.000 . 6.500 3.012 2.901 3.374 . 0 0 "[ . 1 . 2]" 1
482 1 116 VAL HA 1 116 VAL QG 2.700 . 4.400 2.119 2.029 2.194 . 0 0 "[ . 1 . 2]" 1
483 1 116 VAL HA 1 119 ILE HB 5.000 . 5.000 3.179 2.934 3.603 . 0 0 "[ . 1 . 2]" 1
484 1 116 VAL HA 1 119 ILE MD 5.000 . 6.500 3.081 2.764 3.948 . 0 0 "[ . 1 . 2]" 1
485 1 116 VAL HA 1 119 ILE MG 5.000 . 6.500 4.355 4.095 4.659 . 0 0 "[ . 1 . 2]" 1
486 1 116 VAL QG 1 117 GLN HA 5.000 . 7.400 3.406 2.940 3.631 . 0 0 "[ . 1 . 2]" 1
487 1 116 VAL QG 1 117 GLN QB 5.000 . 8.400 3.906 2.739 4.447 . 0 0 "[ . 1 . 2]" 1
488 1 116 VAL QG 1 120 GLU QG 3.300 . 6.700 3.114 2.462 3.679 . 0 0 "[ . 1 . 2]" 1
489 1 117 GLN HA 1 117 GLN QG 3.300 . 4.300 2.285 2.021 2.507 . 0 0 "[ . 1 . 2]" 1
490 1 117 GLN HA 1 120 GLU QB 5.000 . 6.000 2.853 2.453 3.817 . 0 0 "[ . 1 . 2]" 1
491 1 118 ALA HA 1 119 ILE MD 5.000 . 6.500 4.574 4.274 4.801 . 0 0 "[ . 1 . 2]" 1
492 1 118 ALA MB 1 119 ILE HA 5.000 . 6.500 3.810 3.744 3.856 . 0 0 "[ . 1 . 2]" 1
493 1 118 ALA MB 1 119 ILE MD 3.300 . 6.300 2.343 2.115 2.783 . 0 0 "[ . 1 . 2]" 1
494 1 118 ALA MB 1 119 ILE QG 5.000 . 7.500 3.809 3.446 4.046 . 0 0 "[ . 1 . 2]" 1
495 1 119 ILE HA 1 119 ILE MD 3.300 . 4.800 2.914 2.175 3.147 . 0 0 "[ . 1 . 2]" 1
496 1 119 ILE HA 1 119 ILE MG 3.300 . 4.800 2.471 2.257 2.601 . 0 0 "[ . 1 . 2]" 1
497 1 119 ILE HA 1 122 GLN QB 5.000 . 6.000 2.829 2.692 3.047 . 0 0 "[ . 1 . 2]" 1
498 1 119 ILE HA 1 122 GLN QG 5.000 . 6.000 3.940 3.348 4.363 . 0 0 "[ . 1 . 2]" 1
499 1 119 ILE HB 1 119 ILE MD 3.300 . 4.800 2.408 2.181 3.221 . 0 0 "[ . 1 . 2]" 1
500 1 119 ILE MD 1 119 ILE MG 2.700 . 5.700 2.948 2.064 3.181 . 0 0 "[ . 1 . 2]" 1
501 1 119 ILE MG 1 120 GLU HA 5.000 . 6.500 3.405 3.048 4.035 . 0 0 "[ . 1 . 2]" 1
502 1 119 ILE MG 1 123 ILE MD 2.700 . 5.700 1.907 1.779 2.315 0.021 9 0 "[ . 1 . 2]" 1
503 1 120 GLU HA 1 120 GLU QG 3.300 . 4.300 2.546 2.034 3.422 . 0 0 "[ . 1 . 2]" 1
504 1 120 GLU HA 1 123 ILE HB 3.300 . 3.300 2.664 2.603 2.727 . 0 0 "[ . 1 . 2]" 1
505 1 120 GLU HA 1 123 ILE MD 3.300 . 4.800 1.985 1.852 2.332 . 0 0 "[ . 1 . 2]" 1
506 1 120 GLU HA 1 123 ILE QG 5.000 . 6.000 3.424 3.211 3.629 . 0 0 "[ . 1 . 2]" 1
507 1 120 GLU HA 1 123 ILE MG 3.300 . 4.800 4.007 3.983 4.040 . 0 0 "[ . 1 . 2]" 1
508 1 120 GLU QB 1 123 ILE MD 5.000 . 7.500 3.703 3.139 4.080 . 0 0 "[ . 1 . 2]" 1
509 1 120 GLU QG 1 123 ILE MD 5.000 . 7.500 3.304 2.539 4.486 . 0 0 "[ . 1 . 2]" 1
510 1 121 SER HA 1 124 LEU QB 5.000 . 6.000 2.712 2.400 3.011 . 0 0 "[ . 1 . 2]" 1
511 1 121 SER HA 1 124 LEU QD 3.300 . 5.700 3.372 2.489 3.791 . 0 0 "[ . 1 . 2]" 1
512 1 121 SER QB 1 125 ALA MB 5.000 . 7.500 4.720 4.145 5.154 . 0 0 "[ . 1 . 2]" 1
513 1 122 GLN HA 1 125 ALA MB 2.700 . 4.200 2.886 2.689 3.013 . 0 0 "[ . 1 . 2]" 1
514 1 123 ILE HA 1 123 ILE MD 3.300 . 4.800 3.896 3.867 3.919 . 0 0 "[ . 1 . 2]" 1
515 1 123 ILE HA 1 123 ILE QG 3.300 . 4.300 2.475 2.424 2.517 . 0 0 "[ . 1 . 2]" 1
516 1 123 ILE HA 1 123 ILE MG 2.700 . 4.200 2.337 2.224 2.407 . 0 0 "[ . 1 . 2]" 1
517 1 123 ILE HA 1 126 SER QB 5.000 . 6.000 2.625 2.418 3.354 . 0 0 "[ . 1 . 2]" 1
518 1 123 ILE HB 1 123 ILE MD 3.300 . 4.800 2.201 2.094 2.318 . 0 0 "[ . 1 . 2]" 1
519 1 123 ILE MD 1 123 ILE MG 2.700 . 5.700 2.334 2.147 2.518 . 0 0 "[ . 1 . 2]" 1
520 1 123 ILE MG 1 124 LEU HA 3.300 . 4.800 3.608 3.489 3.781 . 0 0 "[ . 1 . 2]" 1
521 1 123 ILE MG 1 127 LEU QD 2.700 . 6.600 2.253 1.786 3.043 0.014 6 0 "[ . 1 . 2]" 1
522 1 123 ILE MG 1 127 LEU HG 3.300 . 4.800 3.235 2.405 3.943 . 0 0 "[ . 1 . 2]" 1
523 1 124 LEU HA 1 124 LEU QD 2.700 . 4.400 2.503 1.994 3.023 . 0 0 "[ . 1 . 2]" 1
524 1 124 LEU HA 1 124 LEU HG 3.300 . 3.300 2.511 2.145 3.197 . 0 0 "[ . 1 . 2]" 1
525 1 124 LEU HA 1 127 LEU QB 5.000 . 6.000 2.653 2.518 2.923 . 0 0 "[ . 1 . 2]" 1
526 1 124 LEU HA 1 127 LEU HG 5.000 . 5.000 4.323 3.573 5.000 . 0 0 "[ . 1 . 2]" 1
527 1 124 LEU QB 1 124 LEU QD 2.700 . 6.100 1.861 1.739 1.955 0.061 15 0 "[ . 1 . 2]" 1
528 1 124 LEU QB 1 125 ALA HA 5.000 . 6.000 3.968 3.826 4.190 . 0 0 "[ . 1 . 2]" 1
529 1 124 LEU QD 1 125 ALA HA 5.000 . 7.400 4.256 3.008 5.152 . 0 0 "[ . 1 . 2]" 1
530 1 124 LEU QD 1 128 GLN QG 5.000 . 8.400 3.526 2.145 5.012 . 0 0 "[ . 1 . 2]" 1
531 1 124 LEU HG 1 128 GLN QG 5.000 . 6.000 4.199 2.560 5.361 . 0 0 "[ . 1 . 2]" 1
532 1 125 ALA HA 1 128 GLN QG 3.300 . 4.300 3.051 2.237 3.816 . 0 0 "[ . 1 . 2]" 1
533 1 125 ALA MB 1 126 SER HA 5.000 . 6.500 3.839 3.762 3.918 . 0 0 "[ . 1 . 2]" 1
534 1 125 ALA MB 1 126 SER QB 5.000 . 7.500 4.051 3.720 4.430 . 0 0 "[ . 1 . 2]" 1
535 1 125 ALA MB 1 127 LEU QB 5.000 . 7.500 5.462 5.362 5.592 . 0 0 "[ . 1 . 2]" 1
536 1 125 ALA MB 1 128 GLN QG 5.000 . 7.500 4.354 3.580 4.966 . 0 0 "[ . 1 . 2]" 1
537 1 127 LEU HA 1 127 LEU QD 2.700 . 4.400 1.997 1.828 2.437 . 0 0 "[ . 1 . 2]" 1
538 1 127 LEU QB 1 127 LEU QD 2.700 . 6.100 1.970 1.790 2.091 0.010 13 0 "[ . 1 . 2]" 1
539 1 127 LEU QD 1 128 GLN QG 5.000 . 8.400 4.442 4.071 4.842 . 0 0 "[ . 1 . 2]" 1
540 1 128 GLN HA 1 128 GLN QG 2.700 . 3.700 3.006 2.448 3.340 . 0 0 "[ . 1 . 2]" 1
541 1 1 ARG HA 1 2 ALA H 2.900 . 2.900 2.356 2.143 2.805 . 0 0 "[ . 1 . 2]" 1
542 1 1 ARG QB 1 2 ALA H 3.500 . 4.500 3.166 2.011 4.035 . 0 0 "[ . 1 . 2]" 1
543 1 1 ARG QD 1 2 ALA H 5.000 . 6.000 4.349 3.286 5.338 . 0 0 "[ . 1 . 2]" 1
544 1 1 ARG QG 1 2 ALA H 3.500 . 4.500 3.097 1.970 3.782 . 0 0 "[ . 1 . 2]" 1
545 1 2 ALA HA 1 3 ILE H 2.900 . 2.900 2.419 2.180 2.555 . 0 0 "[ . 1 . 2]" 1
546 1 2 ALA H 1 2 ALA MB 2.900 . 4.000 2.319 2.099 2.497 . 0 0 "[ . 1 . 2]" 1
547 1 2 ALA MB 1 31 SER H 5.000 . 6.500 2.856 2.342 3.196 . 0 0 "[ . 1 . 2]" 1
548 1 2 ALA MB 1 32 ASN QD 5.000 . 7.500 3.209 1.978 4.678 . 0 0 "[ . 1 . 2]" 1
549 1 2 ALA MB 1 32 ASN H 3.500 . 5.000 2.869 2.461 3.241 . 0 0 "[ . 1 . 2]" 1
550 1 2 ALA MB 1 3 ILE H 2.900 . 4.400 2.429 2.078 2.969 . 0 0 "[ . 1 . 2]" 1
551 1 2 ALA H 1 3 ILE H 5.000 . 5.000 4.523 4.465 4.629 . 0 0 "[ . 1 . 2]" 1
552 1 3 ILE H 1 3 ILE HA 2.900 . 2.900 2.935 2.926 2.939 0.039 10 0 "[ . 1 . 2]" 1
553 1 3 ILE HB 1 31 SER H 5.000 . 5.000 4.468 4.176 4.790 . 0 0 "[ . 1 . 2]" 1
554 1 3 ILE H 1 3 ILE HB 2.900 . 2.900 2.816 2.714 2.897 . 0 0 "[ . 1 . 2]" 1
555 1 3 ILE H 1 3 ILE MD 3.500 . 5.000 3.373 2.232 4.036 . 0 0 "[ . 1 . 2]" 1
556 1 3 ILE H 1 3 ILE QG 2.900 . 3.900 2.684 2.433 3.184 . 0 0 "[ . 1 . 2]" 1
557 1 3 ILE H 1 3 ILE MG 3.500 . 5.000 3.918 3.872 3.955 . 0 0 "[ . 1 . 2]" 1
558 1 3 ILE H 1 30 SER HA 5.000 . 5.000 4.911 4.617 5.006 0.006 6 0 "[ . 1 . 2]" 1
559 1 3 ILE H 1 30 SER QB 5.000 . 6.000 5.239 4.540 5.407 . 0 0 "[ . 1 . 2]" 1
560 1 3 ILE H 1 31 SER QB 3.500 . 4.500 2.055 1.826 2.860 . 0 0 "[ . 1 . 2]" 1
561 1 3 ILE H 1 31 SER H 5.000 . 5.000 2.889 2.538 3.135 . 0 0 "[ . 1 . 2]" 1
562 1 3 ILE H 1 4 PRO QD 5.000 . 6.000 4.260 4.195 4.319 . 0 0 "[ . 1 . 2]" 1
563 1 4 PRO HA 1 30 SER H 5.000 . 5.000 4.770 4.605 4.885 . 0 0 "[ . 1 . 2]" 1
564 1 4 PRO HA 1 31 SER H 3.500 . 3.500 3.536 3.518 3.550 0.050 13 0 "[ . 1 . 2]" 1
565 1 4 PRO HA 1 5 ILE H 2.900 . 2.900 2.121 2.086 2.133 . 0 0 "[ . 1 . 2]" 1
566 1 4 PRO HA 1 6 LYS H 3.500 . 3.500 3.545 3.527 3.630 0.130 8 0 "[ . 1 . 2]" 1
567 1 4 PRO QB 1 5 ILE H 5.000 . 6.000 3.329 3.212 3.378 . 0 0 "[ . 1 . 2]" 1
568 1 5 ILE HA 1 6 LYS H 3.500 . 3.500 3.434 3.417 3.499 . 0 0 "[ . 1 . 2]" 1
569 1 5 ILE H 1 5 ILE HB 3.500 . 3.500 2.571 2.387 2.685 . 0 0 "[ . 1 . 2]" 1
570 1 5 ILE HB 1 6 LYS H 3.500 . 3.500 3.124 2.694 3.221 . 0 0 "[ . 1 . 2]" 1
571 1 5 ILE MD 1 31 SER H 5.000 . 6.500 3.299 2.472 3.810 . 0 0 "[ . 1 . 2]" 1
572 1 5 ILE H 1 5 ILE MD 5.000 . 6.500 3.052 2.001 3.416 . 0 0 "[ . 1 . 2]" 1
573 1 5 ILE MD 1 6 LYS H 5.000 . 6.500 4.472 3.891 4.677 . 0 0 "[ . 1 . 2]" 1
574 1 5 ILE QG 1 31 SER H 5.000 . 6.000 3.259 2.792 4.627 . 0 0 "[ . 1 . 2]" 1
575 1 5 ILE MG 1 6 LYS H 3.500 . 5.000 3.849 3.580 4.024 . 0 0 "[ . 1 . 2]" 1
576 1 5 ILE H 1 28 THR MG 3.500 . 5.000 4.103 4.068 4.149 . 0 0 "[ . 1 . 2]" 1
577 1 5 ILE H 1 30 SER HA 3.500 . 3.500 2.435 2.282 2.596 . 0 0 "[ . 1 . 2]" 1
578 1 5 ILE H 1 31 SER HA 5.000 . 5.000 5.052 5.023 5.073 0.073 14 0 "[ . 1 . 2]" 1
579 1 5 ILE H 1 31 SER H 5.000 . 5.000 3.937 3.805 4.064 . 0 0 "[ . 1 . 2]" 1
580 1 5 ILE H 1 6 LYS H 2.900 . 2.900 2.223 2.147 2.283 . 0 0 "[ . 1 . 2]" 1
581 1 6 LYS HA 1 7 GLN H 2.900 . 2.900 2.148 2.059 2.165 . 0 0 "[ . 1 . 2]" 1
582 1 6 LYS QB 1 7 GLN H 3.500 . 4.500 3.689 3.346 3.718 . 0 0 "[ . 1 . 2]" 1
583 1 6 LYS QD 1 115 TRP H 5.000 . 6.000 4.266 4.121 4.647 . 0 0 "[ . 1 . 2]" 1
584 1 6 LYS QD 1 7 GLN H 5.000 . 6.000 3.814 3.666 5.327 . 0 0 "[ . 1 . 2]" 1
585 1 6 LYS QE 1 115 TRP HE1 5.000 . 6.000 3.988 3.789 4.270 . 0 0 "[ . 1 . 2]" 1
586 1 6 LYS QE 1 115 TRP H 5.000 . 6.000 4.045 2.750 4.323 . 0 0 "[ . 1 . 2]" 1
587 1 6 LYS QG 1 115 TRP H 5.000 . 6.000 3.047 2.894 4.275 . 0 0 "[ . 1 . 2]" 1
588 1 6 LYS QG 1 118 ALA H 5.000 . 6.000 5.019 4.725 5.045 . 0 0 "[ . 1 . 2]" 1
589 1 6 LYS QG 1 7 GLN H 5.000 . 6.000 3.722 3.593 4.580 . 0 0 "[ . 1 . 2]" 1
590 1 6 LYS H 1 28 THR HA 5.000 . 5.000 4.483 4.429 4.573 . 0 0 "[ . 1 . 2]" 1
591 1 6 LYS H 1 28 THR MG 3.500 . 5.000 3.755 3.670 3.853 . 0 0 "[ . 1 . 2]" 1
592 1 6 LYS H 1 29 LEU QB 3.500 . 4.500 2.853 2.658 2.907 . 0 0 "[ . 1 . 2]" 1
593 1 6 LYS H 1 29 LEU QD 3.500 . 5.900 4.362 4.204 4.431 . 0 0 "[ . 1 . 2]" 1
594 1 6 LYS H 1 29 LEU H 5.000 . 5.000 3.061 2.911 3.131 . 0 0 "[ . 1 . 2]" 1
595 1 6 LYS H 1 30 SER HA 5.000 . 5.000 4.287 4.208 4.393 . 0 0 "[ . 1 . 2]" 1
596 1 6 LYS H 1 7 GLN H 3.500 . 3.500 3.619 3.600 3.646 0.146 17 0 "[ . 1 . 2]" 1
597 1 7 GLN HA 1 29 LEU H 5.000 . 5.000 3.164 3.060 3.205 . 0 0 "[ . 1 . 2]" 1
598 1 7 GLN HA 1 8 SER H 2.900 . 2.900 2.144 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
599 1 7 GLN QB 1 29 LEU H 5.000 . 6.000 3.670 3.323 4.433 . 0 0 "[ . 1 . 2]" 1
600 1 7 GLN H 1 7 GLN QB 3.500 . 4.100 2.829 2.427 3.112 . 0 0 "[ . 1 . 2]" 1
601 1 7 GLN QB 1 8 SER H 3.500 . 4.500 3.631 3.377 3.921 . 0 0 "[ . 1 . 2]" 1
602 1 7 GLN H 1 7 GLN QE 5.000 . 6.000 4.404 3.421 5.245 . 0 0 "[ . 1 . 2]" 1
603 1 7 GLN QG 1 29 LEU H 5.000 . 6.000 4.935 3.271 5.330 . 0 0 "[ . 1 . 2]" 1
604 1 7 GLN QG 1 8 SER H 5.000 . 6.000 3.789 2.827 4.551 . 0 0 "[ . 1 . 2]" 1
605 1 7 GLN H 1 28 THR HA 5.000 . 5.000 4.459 4.336 4.543 . 0 0 "[ . 1 . 2]" 1
606 1 7 GLN H 1 8 SER H 5.000 . 5.000 4.101 4.048 4.170 . 0 0 "[ . 1 . 2]" 1
607 1 8 SER H 1 8 SER HA 2.900 . 2.900 2.855 2.812 2.889 . 0 0 "[ . 1 . 2]" 1
608 1 8 SER HA 1 9 PHE H 2.900 . 2.900 2.641 2.612 2.651 . 0 0 "[ . 1 . 2]" 1
609 1 8 SER QB 1 115 TRP HE1 5.000 . 6.000 3.231 2.695 4.028 . 0 0 "[ . 1 . 2]" 1
610 1 8 SER H 1 8 SER QB 3.500 . 4.100 3.051 2.747 3.404 . 0 0 "[ . 1 . 2]" 1
611 1 8 SER QB 1 9 PHE H 2.900 . 3.900 2.169 1.938 2.914 . 0 0 "[ . 1 . 2]" 1
612 1 8 SER H 1 115 TRP HE1 5.000 . 5.000 4.154 4.003 4.380 . 0 0 "[ . 1 . 2]" 1
613 1 8 SER H 1 27 VAL HB 5.000 . 5.000 3.753 3.628 3.887 . 0 0 "[ . 1 . 2]" 1
614 1 8 SER H 1 27 VAL QG 5.000 . 7.400 4.135 4.043 4.245 . 0 0 "[ . 1 . 2]" 1
615 1 8 SER H 1 28 THR HA 3.500 . 3.500 3.544 3.512 3.570 0.070 2 0 "[ . 1 . 2]" 1
616 1 8 SER H 1 28 THR MG 5.000 . 6.500 4.928 4.855 5.117 . 0 0 "[ . 1 . 2]" 1
617 1 9 PHE HA 1 10 LEU H 2.900 . 2.900 2.181 2.133 2.260 . 0 0 "[ . 1 . 2]" 1
618 1 9 PHE HA 1 25 LYS H 5.000 . 5.000 4.334 4.202 4.480 . 0 0 "[ . 1 . 2]" 1
619 1 9 PHE QB 1 10 LEU H 5.000 . 6.000 3.009 2.760 3.262 . 0 0 "[ . 1 . 2]" 1
620 1 9 PHE H 1 9 PHE QB 2.900 . 3.500 2.658 2.612 2.726 . 0 0 "[ . 1 . 2]" 1
621 1 9 PHE H 1 10 LEU H 5.000 . 5.000 4.544 4.440 4.602 . 0 0 "[ . 1 . 2]" 1
622 1 10 LEU HA 1 11 LEU H 2.900 . 2.900 2.323 2.255 2.405 . 0 0 "[ . 1 . 2]" 1
623 1 10 LEU QB 1 11 LEU H 5.000 . 6.000 2.683 2.463 2.888 . 0 0 "[ . 1 . 2]" 1
624 1 10 LEU QD 1 107 ALA H 3.500 . 5.900 3.758 3.460 3.982 . 0 0 "[ . 1 . 2]" 1
625 1 10 LEU QD 1 115 TRP HE1 3.500 . 5.900 2.776 2.399 2.946 . 0 0 "[ . 1 . 2]" 1
626 1 10 LEU QD 1 11 LEU H 3.500 . 5.900 3.778 3.701 3.867 . 0 0 "[ . 1 . 2]" 1
627 1 10 LEU H 1 10 LEU HG 5.000 . 5.000 4.344 4.196 4.519 . 0 0 "[ . 1 . 2]" 1
628 1 10 LEU HG 1 11 LEU H 3.500 . 3.500 3.533 3.502 3.545 0.045 18 0 "[ . 1 . 2]" 1
629 1 10 LEU H 1 11 LEU H 5.000 . 5.000 4.450 4.369 4.505 . 0 0 "[ . 1 . 2]" 1
630 1 10 LEU H 1 25 LYS QB 5.000 . 6.000 2.971 2.783 3.290 . 0 0 "[ . 1 . 2]" 1
631 1 10 LEU H 1 26 TYR HA 5.000 . 5.000 3.070 2.854 3.268 . 0 0 "[ . 1 . 2]" 1
632 1 10 LEU H 1 27 VAL QG 5.000 . 7.400 3.086 2.717 3.480 . 0 0 "[ . 1 . 2]" 1
633 1 10 LEU H 1 27 VAL H 5.000 . 5.000 3.692 3.344 4.093 . 0 0 "[ . 1 . 2]" 1
634 1 11 LEU HA 1 12 LYS H 2.900 . 2.900 2.205 2.169 2.250 . 0 0 "[ . 1 . 2]" 1
635 1 11 LEU HA 1 25 LYS H 3.500 . 3.500 3.243 3.051 3.432 . 0 0 "[ . 1 . 2]" 1
636 1 11 LEU H 1 11 LEU QB 3.500 . 4.100 2.174 2.104 2.225 . 0 0 "[ . 1 . 2]" 1
637 1 11 LEU QB 1 12 LYS H 5.000 . 6.000 3.337 3.225 3.469 . 0 0 "[ . 1 . 2]" 1
638 1 11 LEU QD 1 12 LYS H 5.000 . 7.400 3.474 3.345 3.591 . 0 0 "[ . 1 . 2]" 1
639 1 11 LEU QD 1 23 LYS H 5.000 . 7.400 4.012 3.793 4.415 . 0 0 "[ . 1 . 2]" 1
640 1 11 LEU H 1 11 LEU HG 5.000 . 5.000 4.581 4.494 4.627 . 0 0 "[ . 1 . 2]" 1
641 1 11 LEU HG 1 12 LYS H 5.000 . 5.000 3.145 2.944 3.258 . 0 0 "[ . 1 . 2]" 1
642 1 11 LEU H 1 105 GLU H 5.000 . 5.000 2.393 2.209 2.656 . 0 0 "[ . 1 . 2]" 1
643 1 12 LYS HA 1 105 GLU H 5.000 . 5.000 4.254 3.925 4.372 . 0 0 "[ . 1 . 2]" 1
644 1 12 LYS HA 1 13 ARG H 3.500 . 3.500 2.138 2.123 2.157 . 0 0 "[ . 1 . 2]" 1
645 1 12 LYS QG 1 13 ARG H 5.000 . 6.000 3.385 2.962 3.799 . 0 0 "[ . 1 . 2]" 1
646 1 12 LYS H 1 23 LYS H 3.500 . 3.500 2.310 2.009 2.672 . 0 0 "[ . 1 . 2]" 1
647 1 12 LYS H 1 24 LYS HA 5.000 . 5.000 4.469 4.340 4.607 . 0 0 "[ . 1 . 2]" 1
648 1 13 ARG HA 1 14 SER H 2.900 . 2.900 2.256 2.184 2.263 . 0 0 "[ . 1 . 2]" 1
649 1 13 ARG HA 1 22 TRP H 5.000 . 5.000 3.825 3.459 4.211 . 0 0 "[ . 1 . 2]" 1
650 1 13 ARG HA 1 23 LYS H 5.000 . 5.000 4.019 3.806 4.344 . 0 0 "[ . 1 . 2]" 1
651 1 13 ARG QB 1 14 SER H 5.000 . 6.000 2.898 2.744 3.486 . 0 0 "[ . 1 . 2]" 1
652 1 13 ARG QD 1 22 TRP HE1 5.000 . 6.000 4.380 3.520 5.163 . 0 0 "[ . 1 . 2]" 1
653 1 13 ARG QG 1 14 SER H 5.000 . 6.000 3.683 2.201 4.243 . 0 0 "[ . 1 . 2]" 1
654 1 13 ARG QG 1 21 GLU H 5.000 . 6.000 4.223 2.248 5.429 . 0 0 "[ . 1 . 2]" 1
655 1 13 ARG QG 1 22 TRP HE1 5.000 . 6.000 4.386 2.813 5.412 . 0 0 "[ . 1 . 2]" 1
656 1 13 ARG H 1 103 HIS QB 5.000 . 6.000 3.778 3.309 4.236 . 0 0 "[ . 1 . 2]" 1
657 1 13 ARG H 1 104 PHE HA 5.000 . 5.000 4.265 3.768 4.608 . 0 0 "[ . 1 . 2]" 1
658 1 13 ARG H 1 14 SER H 5.000 . 5.000 4.634 4.594 4.638 . 0 0 "[ . 1 . 2]" 1
659 1 14 SER H 1 14 SER QB 3.500 . 4.100 2.612 2.147 3.007 . 0 0 "[ . 1 . 2]" 1
660 1 14 SER QB 1 21 GLU H 5.000 . 6.000 4.602 3.198 5.381 . 0 0 "[ . 1 . 2]" 1
661 1 14 SER H 1 21 GLU H 3.500 . 3.500 2.830 2.453 3.144 . 0 0 "[ . 1 . 2]" 1
662 1 16 ASN QB 1 19 ASN H 5.000 . 6.000 2.662 2.298 3.293 . 0 0 "[ . 1 . 2]" 1
663 1 17 SER HA 1 19 ASN H 5.000 . 5.000 4.351 4.086 5.004 0.004 10 0 "[ . 1 . 2]" 1
664 1 17 SER QB 1 18 LEU H 3.500 . 4.500 2.672 2.193 3.384 . 0 0 "[ . 1 . 2]" 1
665 1 17 SER QB 1 19 ASN H 5.000 . 6.000 4.687 4.380 5.270 . 0 0 "[ . 1 . 2]" 1
666 1 18 LEU H 1 18 LEU HA 2.900 . 2.900 2.813 2.767 2.868 . 0 0 "[ . 1 . 2]" 1
667 1 18 LEU HA 1 19 ASN H 3.500 . 3.500 3.513 3.496 3.549 0.049 10 0 "[ . 1 . 2]" 1
668 1 18 LEU QB 1 19 ASN H 3.500 . 4.500 2.678 2.268 2.842 . 0 0 "[ . 1 . 2]" 1
669 1 18 LEU QD 1 19 ASN H 3.500 . 5.900 3.941 3.384 4.220 . 0 0 "[ . 1 . 2]" 1
670 1 18 LEU H 1 19 ASN H 2.900 . 2.900 2.645 2.449 2.860 . 0 0 "[ . 1 . 2]" 1
671 1 19 ASN HA 1 20 LYS H 2.900 . 2.900 2.343 2.155 2.705 . 0 0 "[ . 1 . 2]" 1
672 1 19 ASN H 1 19 ASN QB 2.900 . 3.500 2.522 2.180 2.795 . 0 0 "[ . 1 . 2]" 1
673 1 19 ASN QB 1 20 LYS H 3.500 . 4.500 3.922 3.706 4.032 . 0 0 "[ . 1 . 2]" 1
674 1 19 ASN H 1 19 ASN QD 5.000 . 6.000 4.400 2.544 5.126 . 0 0 "[ . 1 . 2]" 1
675 1 20 LYS HA 1 21 GLU H 2.900 . 2.900 2.379 2.256 2.615 . 0 0 "[ . 1 . 2]" 1
676 1 20 LYS H 1 20 LYS QB 3.500 . 4.100 2.079 2.040 2.142 . 0 0 "[ . 1 . 2]" 1
677 1 20 LYS QB 1 21 GLU H 3.500 . 4.500 2.639 2.163 2.995 . 0 0 "[ . 1 . 2]" 1
678 1 20 LYS QB 1 22 TRP HE1 5.000 . 6.000 2.097 1.829 2.470 . 0 0 "[ . 1 . 2]" 1
679 1 20 LYS QD 1 22 TRP HE1 5.000 . 6.000 2.283 1.870 3.280 . 0 0 "[ . 1 . 2]" 1
680 1 20 LYS H 1 20 LYS QE 5.000 . 6.000 4.423 3.866 5.022 . 0 0 "[ . 1 . 2]" 1
681 1 20 LYS QE 1 21 GLU H 5.000 . 6.000 4.785 3.558 5.403 . 0 0 "[ . 1 . 2]" 1
682 1 20 LYS H 1 20 LYS QG 2.900 . 3.900 3.215 2.972 3.398 . 0 0 "[ . 1 . 2]" 1
683 1 20 LYS QG 1 21 GLU H 5.000 . 6.000 3.099 2.506 3.863 . 0 0 "[ . 1 . 2]" 1
684 1 21 GLU H 1 21 GLU HA 2.900 . 2.900 2.841 2.796 2.870 . 0 0 "[ . 1 . 2]" 1
685 1 21 GLU HA 1 22 TRP H 2.900 . 2.900 2.166 2.155 2.178 . 0 0 "[ . 1 . 2]" 1
686 1 21 GLU QB 1 22 TRP H 3.500 . 4.500 3.922 3.828 3.962 . 0 0 "[ . 1 . 2]" 1
687 1 21 GLU QG 1 22 TRP H 3.500 . 4.500 3.469 3.230 3.670 . 0 0 "[ . 1 . 2]" 1
688 1 21 GLU H 1 22 TRP H 3.500 . 3.500 3.531 3.513 3.554 0.054 4 0 "[ . 1 . 2]" 1
689 1 22 TRP HA 1 23 LYS H 2.900 . 2.900 2.193 2.145 2.266 . 0 0 "[ . 1 . 2]" 1
690 1 22 TRP H 1 22 TRP QB 2.900 . 3.500 2.589 2.559 2.623 . 0 0 "[ . 1 . 2]" 1
691 1 22 TRP QB 1 23 LYS H 3.500 . 4.500 2.947 2.705 3.192 . 0 0 "[ . 1 . 2]" 1
692 1 22 TRP H 1 22 TRP HE1 5.000 . 5.000 4.292 4.189 4.415 . 0 0 "[ . 1 . 2]" 1
693 1 23 LYS HA 1 24 LYS H 2.900 . 2.900 2.350 2.299 2.401 . 0 0 "[ . 1 . 2]" 1
694 1 23 LYS H 1 23 LYS QB 3.500 . 4.100 2.344 2.198 2.444 . 0 0 "[ . 1 . 2]" 1
695 1 23 LYS QB 1 24 LYS H 3.500 . 4.500 2.762 2.474 3.139 . 0 0 "[ . 1 . 2]" 1
696 1 23 LYS QE 1 24 LYS H 5.000 . 6.000 4.870 3.758 5.391 . 0 0 "[ . 1 . 2]" 1
697 1 23 LYS QG 1 24 LYS H 3.500 . 4.500 3.111 2.424 3.861 . 0 0 "[ . 1 . 2]" 1
698 1 23 LYS H 1 24 LYS H 5.000 . 5.000 4.511 4.479 4.563 . 0 0 "[ . 1 . 2]" 1
699 1 24 LYS HA 1 25 LYS H 2.900 . 2.900 2.134 2.121 2.143 . 0 0 "[ . 1 . 2]" 1
700 1 24 LYS QB 1 25 LYS H 5.000 . 6.000 3.477 3.217 3.833 . 0 0 "[ . 1 . 2]" 1
701 1 24 LYS H 1 25 LYS H 5.000 . 5.000 4.483 4.360 4.543 . 0 0 "[ . 1 . 2]" 1
702 1 11 LEU MD1 1 24 LYS H 3.500 . 5.900 3.594 3.455 3.911 . 0 0 "[ . 1 . 2]" 1
703 1 25 LYS HA 1 26 TYR H 2.900 . 2.900 2.593 2.442 2.663 . 0 0 "[ . 1 . 2]" 1
704 1 25 LYS H 1 25 LYS QB 3.500 . 4.100 2.492 2.369 2.588 . 0 0 "[ . 1 . 2]" 1
705 1 25 LYS QB 1 26 TYR H 5.000 . 6.000 2.246 1.943 2.680 . 0 0 "[ . 1 . 2]" 1
706 1 25 LYS QG 1 26 TYR H 5.000 . 6.000 3.084 1.972 4.123 . 0 0 "[ . 1 . 2]" 1
707 1 25 LYS H 1 41 ILE MD 5.000 . 6.500 5.360 5.283 5.392 . 0 0 "[ . 1 . 2]" 1
708 1 26 TYR HA 1 27 VAL H 2.900 . 2.900 2.169 2.155 2.186 . 0 0 "[ . 1 . 2]" 1
709 1 26 TYR H 1 26 TYR QB 3.500 . 4.100 2.608 2.506 2.677 . 0 0 "[ . 1 . 2]" 1
710 1 26 TYR QB 1 27 VAL H 5.000 . 6.000 3.868 3.718 3.899 . 0 0 "[ . 1 . 2]" 1
711 1 26 TYR QB 1 38 HIS H 5.000 . 6.000 2.892 2.413 3.082 . 0 0 "[ . 1 . 2]" 1
712 1 26 TYR QB 1 40 SER H 5.000 . 6.000 3.708 3.414 4.062 . 0 0 "[ . 1 . 2]" 1
713 1 26 TYR H 1 27 VAL H 5.000 . 5.000 4.125 4.041 4.309 . 0 0 "[ . 1 . 2]" 1
714 1 26 TYR H 1 38 HIS H 5.000 . 5.000 3.154 3.016 3.281 . 0 0 "[ . 1 . 2]" 1
715 1 26 TYR H 1 39 PRO HA 5.000 . 5.000 4.570 4.184 4.730 . 0 0 "[ . 1 . 2]" 1
716 1 27 VAL HA 1 28 THR H 3.500 . 3.500 2.235 2.215 2.263 . 0 0 "[ . 1 . 2]" 1
717 1 27 VAL HA 1 38 HIS H 5.000 . 5.000 3.528 3.474 3.591 . 0 0 "[ . 1 . 2]" 1
718 1 27 VAL H 1 27 VAL HB 3.500 . 3.500 2.979 2.928 3.101 . 0 0 "[ . 1 . 2]" 1
719 1 27 VAL HB 1 28 THR H 5.000 . 5.000 3.532 3.455 3.568 . 0 0 "[ . 1 . 2]" 1
720 1 27 VAL H 1 27 VAL QG 3.500 . 5.200 2.263 2.138 2.452 . 0 0 "[ . 1 . 2]" 1
721 1 27 VAL QG 1 28 THR H 3.500 . 5.900 2.096 1.972 2.290 . 0 0 "[ . 1 . 2]" 1
722 1 27 VAL QG 1 38 HIS H 5.000 . 7.400 3.872 3.774 3.948 . 0 0 "[ . 1 . 2]" 1
723 1 28 THR HA 1 29 LEU H 2.900 . 2.900 2.108 2.096 2.124 . 0 0 "[ . 1 . 2]" 1
724 1 28 THR H 1 28 THR HB 3.500 . 3.500 2.838 2.795 2.860 . 0 0 "[ . 1 . 2]" 1
725 1 28 THR HB 1 29 LEU H 5.000 . 5.000 4.317 4.160 4.370 . 0 0 "[ . 1 . 2]" 1
726 1 28 THR HB 1 36 LEU H 5.000 . 5.000 3.961 3.722 4.154 . 0 0 "[ . 1 . 2]" 1
727 1 28 THR MG 1 29 LEU H 3.500 . 5.000 2.812 2.476 2.922 . 0 0 "[ . 1 . 2]" 1
728 1 28 THR MG 1 30 SER H 5.000 . 6.500 4.028 3.897 4.143 . 0 0 "[ . 1 . 2]" 1
729 1 28 THR MG 1 36 LEU H 5.000 . 6.500 4.548 4.364 4.628 . 0 0 "[ . 1 . 2]" 1
730 1 28 THR H 1 29 LEU H 5.000 . 5.000 3.992 3.967 4.140 . 0 0 "[ . 1 . 2]" 1
731 1 28 THR H 1 36 LEU QB 5.000 . 6.000 3.316 3.092 3.903 . 0 0 "[ . 1 . 2]" 1
732 1 28 THR H 1 36 LEU QD 5.000 . 7.400 3.626 3.305 4.019 . 0 0 "[ . 1 . 2]" 1
733 1 28 THR H 1 36 LEU H 5.000 . 5.000 3.180 3.038 3.324 . 0 0 "[ . 1 . 2]" 1
734 1 28 THR H 1 37 TYR HA 5.000 . 5.000 3.498 3.375 3.603 . 0 0 "[ . 1 . 2]" 1
735 1 29 LEU HA 1 30 SER H 2.900 . 2.900 2.152 2.131 2.167 . 0 0 "[ . 1 . 2]" 1
736 1 29 LEU HA 1 36 LEU H 5.000 . 5.000 3.506 3.345 3.786 . 0 0 "[ . 1 . 2]" 1
737 1 29 LEU H 1 29 LEU QB 3.500 . 4.100 2.184 2.160 2.315 . 0 0 "[ . 1 . 2]" 1
738 1 29 LEU QB 1 30 SER H 5.000 . 6.000 3.695 3.676 3.719 . 0 0 "[ . 1 . 2]" 1
739 1 29 LEU QD 1 118 ALA H 5.000 . 7.400 4.697 4.639 4.748 . 0 0 "[ . 1 . 2]" 1
740 1 29 LEU QD 1 119 ILE H 3.500 . 5.900 3.471 3.291 3.666 . 0 0 "[ . 1 . 2]" 1
741 1 29 LEU QD 1 122 GLN H 3.500 . 5.900 3.834 3.779 3.907 . 0 0 "[ . 1 . 2]" 1
742 1 29 LEU QD 1 30 SER H 2.900 . 5.300 2.540 2.366 2.633 . 0 0 "[ . 1 . 2]" 1
743 1 29 LEU QD 1 33 GLY H 5.000 . 7.400 4.638 4.537 4.734 . 0 0 "[ . 1 . 2]" 1
744 1 29 LEU QD 1 34 PHE H 5.000 . 7.400 3.695 3.540 3.817 . 0 0 "[ . 1 . 2]" 1
745 1 29 LEU H 1 29 LEU HG 5.000 . 5.000 4.572 4.550 4.709 . 0 0 "[ . 1 . 2]" 1
746 1 29 LEU HG 1 30 SER H 5.000 . 5.000 5.045 5.021 5.064 0.064 11 0 "[ . 1 . 2]" 1
747 1 29 LEU H 1 119 ILE MD 5.000 . 6.500 5.335 5.248 5.484 . 0 0 "[ . 1 . 2]" 1
748 1 30 SER HA 1 31 SER H 2.900 . 2.900 2.357 2.292 2.396 . 0 0 "[ . 1 . 2]" 1
749 1 30 SER H 1 30 SER QB 2.900 . 3.500 2.390 2.306 2.834 . 0 0 "[ . 1 . 2]" 1
750 1 30 SER QB 1 31 SER H 2.900 . 3.900 3.194 2.529 3.353 . 0 0 "[ . 1 . 2]" 1
751 1 30 SER QB 1 32 ASN H 2.900 . 3.900 2.784 2.295 2.987 . 0 0 "[ . 1 . 2]" 1
752 1 30 SER H 1 31 SER H 5.000 . 5.000 4.540 4.526 4.557 . 0 0 "[ . 1 . 2]" 1
753 1 30 SER H 1 34 PHE H 5.000 . 5.000 3.695 3.589 3.843 . 0 0 "[ . 1 . 2]" 1
754 1 30 SER H 1 35 LEU HA 5.000 . 5.000 3.435 3.170 3.575 . 0 0 "[ . 1 . 2]" 1
755 1 31 SER H 1 31 SER HA 2.900 . 2.900 2.867 2.855 2.879 . 0 0 "[ . 1 . 2]" 1
756 1 31 SER HA 1 32 ASN H 3.500 . 3.500 3.258 3.228 3.284 . 0 0 "[ . 1 . 2]" 1
757 1 31 SER HA 1 33 GLY H 5.000 . 5.000 3.258 3.243 3.294 . 0 0 "[ . 1 . 2]" 1
758 1 31 SER H 1 31 SER QB 2.900 . 3.500 2.296 2.226 2.506 . 0 0 "[ . 1 . 2]" 1
759 1 31 SER QB 1 32 ASN H 5.000 . 6.000 3.561 3.396 3.908 . 0 0 "[ . 1 . 2]" 1
760 1 31 SER H 1 32 ASN H 3.500 . 3.500 2.632 2.563 2.671 . 0 0 "[ . 1 . 2]" 1
761 1 32 ASN H 1 32 ASN HA 2.900 . 2.900 2.902 2.896 2.911 0.011 13 0 "[ . 1 . 2]" 1
762 1 32 ASN HA 1 33 GLY H 2.900 . 2.900 2.959 2.944 2.964 0.064 15 0 "[ . 1 . 2]" 1
763 1 32 ASN H 1 32 ASN QB 2.900 . 3.500 2.344 2.181 2.963 . 0 0 "[ . 1 . 2]" 1
764 1 32 ASN QB 1 33 GLY H 5.000 . 6.000 3.790 3.744 4.014 . 0 0 "[ . 1 . 2]" 1
765 1 32 ASN H 1 32 ASN QD 5.000 . 6.000 4.242 2.424 4.787 . 0 0 "[ . 1 . 2]" 1
766 1 32 ASN H 1 33 GLY QA 5.000 . 6.000 4.490 4.455 4.521 . 0 0 "[ . 1 . 2]" 1
767 1 32 ASN H 1 33 GLY H 2.900 . 2.900 2.840 2.804 2.869 . 0 0 "[ . 1 . 2]" 1
768 1 32 ASN H 1 34 PHE H 3.500 . 3.500 3.499 3.407 3.515 0.015 14 0 "[ . 1 . 2]" 1
769 1 33 GLY QA 1 34 PHE H 2.900 . 3.900 2.703 2.680 2.733 . 0 0 "[ . 1 . 2]" 1
770 1 33 GLY H 1 122 GLN QB 5.000 . 6.000 3.707 3.481 3.924 . 0 0 "[ . 1 . 2]" 1
771 1 33 GLY H 1 34 PHE H 2.900 . 2.900 2.785 2.710 2.815 . 0 0 "[ . 1 . 2]" 1
772 1 33 GLY H 1 55 LEU QB 5.000 . 6.000 4.460 4.319 4.641 . 0 0 "[ . 1 . 2]" 1
773 1 33 GLY H 1 55 LEU QD 3.500 . 5.900 3.661 3.508 4.082 . 0 0 "[ . 1 . 2]" 1
774 1 34 PHE HA 1 35 LEU H 2.900 . 2.900 2.138 2.120 2.201 . 0 0 "[ . 1 . 2]" 1
775 1 34 PHE HA 1 53 MET H 5.000 . 5.000 4.531 4.072 4.740 . 0 0 "[ . 1 . 2]" 1
776 1 34 PHE HA 1 55 LEU H 5.000 . 5.000 3.043 2.827 3.161 . 0 0 "[ . 1 . 2]" 1
777 1 34 PHE H 1 34 PHE QB 2.900 . 3.500 2.599 2.585 2.608 . 0 0 "[ . 1 . 2]" 1
778 1 34 PHE QB 1 35 LEU H 3.500 . 4.500 3.483 3.192 3.575 . 0 0 "[ . 1 . 2]" 1
779 1 34 PHE H 1 35 LEU H 5.000 . 5.000 4.236 4.181 4.368 . 0 0 "[ . 1 . 2]" 1
780 1 34 PHE H 1 55 LEU QD 3.500 . 5.900 2.513 2.436 2.657 . 0 0 "[ . 1 . 2]" 1
781 1 35 LEU HA 1 36 LEU H 2.900 . 2.900 2.162 2.146 2.172 . 0 0 "[ . 1 . 2]" 1
782 1 35 LEU H 1 35 LEU QB 3.500 . 4.100 2.283 2.228 2.472 . 0 0 "[ . 1 . 2]" 1
783 1 35 LEU QB 1 36 LEU H 5.000 . 6.000 3.843 3.826 3.854 . 0 0 "[ . 1 . 2]" 1
784 1 35 LEU QD 1 36 LEU H 3.500 . 5.900 2.297 2.170 2.435 . 0 0 "[ . 1 . 2]" 1
785 1 35 LEU H 1 35 LEU HG 5.000 . 5.000 4.082 3.961 4.133 . 0 0 "[ . 1 . 2]" 1
786 1 35 LEU HG 1 36 LEU H 5.000 . 5.000 3.955 3.905 4.030 . 0 0 "[ . 1 . 2]" 1
787 1 35 LEU H 1 52 GLU HA 5.000 . 5.000 4.488 4.195 4.637 . 0 0 "[ . 1 . 2]" 1
788 1 35 LEU H 1 53 MET H 5.000 . 5.000 2.953 2.552 3.148 . 0 0 "[ . 1 . 2]" 1
789 1 35 LEU H 1 54 ASP HA 5.000 . 5.000 4.140 4.026 4.403 . 0 0 "[ . 1 . 2]" 1
790 1 35 LEU H 1 55 LEU QD 3.500 . 5.900 2.844 2.042 3.236 . 0 0 "[ . 1 . 2]" 1
791 1 35 LEU H 1 55 LEU HG 5.000 . 5.000 3.100 2.600 3.819 . 0 0 "[ . 1 . 2]" 1
792 1 35 LEU H 1 55 LEU H 5.000 . 5.000 4.198 3.975 4.474 . 0 0 "[ . 1 . 2]" 1
793 1 36 LEU HA 1 37 TYR H 2.900 . 2.900 2.237 2.178 2.302 . 0 0 "[ . 1 . 2]" 1
794 1 36 LEU HA 1 53 MET H 5.000 . 5.000 3.614 3.409 3.873 . 0 0 "[ . 1 . 2]" 1
795 1 36 LEU QB 1 37 TYR H 5.000 . 6.000 2.797 2.719 3.025 . 0 0 "[ . 1 . 2]" 1
796 1 36 LEU H 1 36 LEU QD 3.500 . 5.200 2.306 1.905 2.846 . 0 0 "[ . 1 . 2]" 1
797 1 36 LEU QD 1 37 TYR H 3.500 . 5.900 4.099 3.929 4.313 . 0 0 "[ . 1 . 2]" 1
798 1 36 LEU QD 1 53 MET H 5.000 . 7.400 4.538 4.227 4.719 . 0 0 "[ . 1 . 2]" 1
799 1 36 LEU H 1 36 LEU HG 5.000 . 5.000 2.726 2.554 2.925 . 0 0 "[ . 1 . 2]" 1
800 1 36 LEU HG 1 37 TYR H 5.000 . 5.000 4.790 4.657 5.017 0.017 12 0 "[ . 1 . 2]" 1
801 1 36 LEU H 1 37 TYR H 5.000 . 5.000 4.502 4.429 4.523 . 0 0 "[ . 1 . 2]" 1
802 1 37 TYR HA 1 38 HIS H 2.900 . 2.900 2.147 2.114 2.179 . 0 0 "[ . 1 . 2]" 1
803 1 37 TYR QB 1 38 HIS H 3.500 . 4.500 3.282 3.112 3.387 . 0 0 "[ . 1 . 2]" 1
804 1 37 TYR H 1 38 HIS H 5.000 . 5.000 4.154 4.072 4.300 . 0 0 "[ . 1 . 2]" 1
805 1 37 TYR H 1 51 LYS QB 5.000 . 6.000 3.293 2.789 3.672 . 0 0 "[ . 1 . 2]" 1
806 1 37 TYR H 1 51 LYS H 3.500 . 3.500 3.423 3.264 3.511 0.011 1 0 "[ . 1 . 2]" 1
807 1 38 HIS HA 1 40 SER H 5.000 . 5.000 4.378 4.161 4.695 . 0 0 "[ . 1 . 2]" 1
808 1 38 HIS HA 1 51 LYS H 5.000 . 5.000 3.106 2.888 3.443 . 0 0 "[ . 1 . 2]" 1
809 1 38 HIS H 1 38 HIS QB 3.500 . 4.100 2.745 2.583 2.849 . 0 0 "[ . 1 . 2]" 1
810 1 38 HIS QB 1 40 SER H 3.500 . 4.500 2.742 2.531 3.059 . 0 0 "[ . 1 . 2]" 1
811 1 38 HIS QB 1 43 ASP H 5.000 . 6.000 3.915 3.776 4.024 . 0 0 "[ . 1 . 2]" 1
812 1 38 HIS QB 1 44 TYR H 3.500 . 4.500 3.261 3.076 3.421 . 0 0 "[ . 1 . 2]" 1
813 1 39 PRO HA 1 40 SER H 5.000 . 5.000 3.548 3.511 3.579 . 0 0 "[ . 1 . 2]" 1
814 1 39 PRO QB 1 40 SER H 3.500 . 4.500 2.603 2.214 3.272 . 0 0 "[ . 1 . 2]" 1
815 1 39 PRO QG 1 40 SER H 5.000 . 6.000 3.765 2.506 3.962 . 0 0 "[ . 1 . 2]" 1
816 1 39 PRO QD 1 40 SER H 3.500 . 4.500 2.875 2.667 2.989 . 0 0 "[ . 1 . 2]" 1
817 1 40 SER HA 1 41 ILE H 3.500 . 3.500 2.667 2.403 2.749 . 0 0 "[ . 1 . 2]" 1
818 1 40 SER HA 1 42 ASN H 5.000 . 5.000 4.722 4.352 4.864 . 0 0 "[ . 1 . 2]" 1
819 1 40 SER H 1 40 SER QB 3.500 . 4.100 2.937 2.750 3.336 . 0 0 "[ . 1 . 2]" 1
820 1 40 SER QB 1 41 ILE H 3.500 . 4.500 2.426 1.962 2.879 . 0 0 "[ . 1 . 2]" 1
821 1 40 SER QB 1 42 ASN H 3.500 . 4.500 2.776 2.574 3.373 . 0 0 "[ . 1 . 2]" 1
822 1 40 SER H 1 41 ILE H 5.000 . 5.000 4.355 4.326 4.388 . 0 0 "[ . 1 . 2]" 1
823 1 40 SER H 1 43 ASP QB 3.500 . 4.500 2.340 2.145 2.586 . 0 0 "[ . 1 . 2]" 1
824 1 40 SER H 1 43 ASP H 3.500 . 3.500 3.389 3.263 3.523 0.023 18 0 "[ . 1 . 2]" 1
825 1 41 ILE HA 1 42 ASN H 5.000 . 5.000 3.557 3.536 3.566 . 0 0 "[ . 1 . 2]" 1
826 1 41 ILE HA 1 43 ASP H 5.000 . 5.000 3.782 3.733 3.840 . 0 0 "[ . 1 . 2]" 1
827 1 41 ILE HA 1 44 TYR H 3.500 . 3.500 3.031 2.989 3.106 . 0 0 "[ . 1 . 2]" 1
828 1 41 ILE H 1 41 ILE HB 3.500 . 3.500 2.407 2.375 2.430 . 0 0 "[ . 1 . 2]" 1
829 1 41 ILE HB 1 42 ASN H 2.900 . 2.900 2.653 2.558 2.786 . 0 0 "[ . 1 . 2]" 1
830 1 41 ILE H 1 41 ILE MD 3.500 . 5.000 1.951 1.898 2.053 . 0 0 "[ . 1 . 2]" 1
831 1 41 ILE H 1 41 ILE QG 3.500 . 4.500 3.149 3.073 3.202 . 0 0 "[ . 1 . 2]" 1
832 1 41 ILE QG 1 42 ASN H 5.000 . 6.000 4.459 4.407 4.532 . 0 0 "[ . 1 . 2]" 1
833 1 41 ILE QG 1 44 TYR H 5.000 . 6.000 5.028 4.946 5.130 . 0 0 "[ . 1 . 2]" 1
834 1 41 ILE MG 1 42 ASN H 3.500 . 5.000 3.235 3.126 3.309 . 0 0 "[ . 1 . 2]" 1
835 1 41 ILE MG 1 44 TYR H 5.000 . 6.500 4.071 3.985 4.210 . 0 0 "[ . 1 . 2]" 1
836 1 41 ILE MG 1 45 ILE H 3.500 . 5.000 3.132 2.984 3.311 . 0 0 "[ . 1 . 2]" 1
837 1 41 ILE H 1 42 ASN H 2.900 . 2.900 2.708 2.643 2.797 . 0 0 "[ . 1 . 2]" 1
838 1 42 ASN H 1 42 ASN HA 2.900 . 2.900 2.773 2.770 2.780 . 0 0 "[ . 1 . 2]" 1
839 1 42 ASN HA 1 43 ASP H 3.500 . 3.500 3.478 3.467 3.489 . 0 0 "[ . 1 . 2]" 1
840 1 42 ASN HA 1 44 TYR H 5.000 . 5.000 4.460 4.400 4.533 . 0 0 "[ . 1 . 2]" 1
841 1 42 ASN HA 1 45 ILE H 5.000 . 5.000 3.763 3.741 3.784 . 0 0 "[ . 1 . 2]" 1
842 1 42 ASN HA 1 46 HIS H 3.500 . 3.500 3.348 3.318 3.363 . 0 0 "[ . 1 . 2]" 1
843 1 42 ASN H 1 42 ASN QB 2.900 . 3.500 2.544 2.304 2.659 . 0 0 "[ . 1 . 2]" 1
844 1 42 ASN QB 1 43 ASP H 3.500 . 4.500 2.959 2.811 3.571 . 0 0 "[ . 1 . 2]" 1
845 1 42 ASN H 1 42 ASN QD 5.000 . 6.000 3.301 1.979 4.222 . 0 0 "[ . 1 . 2]" 1
846 1 42 ASN H 1 43 ASP H 2.900 . 2.900 2.721 2.706 2.731 . 0 0 "[ . 1 . 2]" 1
847 1 43 ASP HA 1 44 TYR H 5.000 . 5.000 3.534 3.525 3.543 . 0 0 "[ . 1 . 2]" 1
848 1 43 ASP HA 1 45 ILE H 5.000 . 5.000 4.804 4.780 4.826 . 0 0 "[ . 1 . 2]" 1
849 1 43 ASP HA 1 46 HIS H 5.000 . 5.000 4.126 4.110 4.143 . 0 0 "[ . 1 . 2]" 1
850 1 43 ASP H 1 43 ASP QB 2.900 . 3.500 2.453 2.325 2.515 . 0 0 "[ . 1 . 2]" 1
851 1 43 ASP QB 1 44 TYR H 2.900 . 3.900 2.604 2.537 2.665 . 0 0 "[ . 1 . 2]" 1
852 1 43 ASP H 1 44 TYR H 2.900 . 2.900 2.475 2.457 2.489 . 0 0 "[ . 1 . 2]" 1
853 1 41 ILE H 1 43 ASP H 5.000 . 5.000 4.001 3.929 4.108 . 0 0 "[ . 1 . 2]" 1
854 1 42 ASN H 1 44 TYR H 5.000 . 5.000 4.292 4.221 4.369 . 0 0 "[ . 1 . 2]" 1
855 1 41 ILE H 1 44 TYR H 5.000 . 5.000 4.844 4.789 4.910 . 0 0 "[ . 1 . 2]" 1
856 1 44 TYR H 1 44 TYR HA 2.900 . 2.900 2.851 2.840 2.858 . 0 0 "[ . 1 . 2]" 1
857 1 44 TYR HA 1 45 ILE H 5.000 . 5.000 3.537 3.535 3.540 . 0 0 "[ . 1 . 2]" 1
858 1 44 TYR HA 1 47 SER H 5.000 . 5.000 3.704 3.612 3.771 . 0 0 "[ . 1 . 2]" 1
859 1 44 TYR HA 1 48 THR H 5.000 . 5.000 4.304 4.199 4.389 . 0 0 "[ . 1 . 2]" 1
860 1 44 TYR H 1 44 TYR QB 2.900 . 3.500 2.076 2.065 2.088 . 0 0 "[ . 1 . 2]" 1
861 1 44 TYR QB 1 45 ILE H 5.000 . 6.000 2.705 2.653 2.754 . 0 0 "[ . 1 . 2]" 1
862 1 44 TYR H 1 45 ILE HB 5.000 . 5.000 4.426 4.375 4.472 . 0 0 "[ . 1 . 2]" 1
863 1 44 TYR H 1 45 ILE H 2.900 . 2.900 2.602 2.576 2.633 . 0 0 "[ . 1 . 2]" 1
864 1 45 ILE H 1 45 ILE HA 2.900 . 2.900 2.786 2.777 2.794 . 0 0 "[ . 1 . 2]" 1
865 1 45 ILE HA 1 46 HIS H 3.500 . 3.500 3.523 3.521 3.527 0.027 12 0 "[ . 1 . 2]" 1
866 1 45 ILE HA 1 47 SER H 5.000 . 5.000 4.385 4.361 4.397 . 0 0 "[ . 1 . 2]" 1
867 1 45 ILE H 1 45 ILE HB 2.900 . 2.900 2.254 2.242 2.266 . 0 0 "[ . 1 . 2]" 1
868 1 45 ILE HB 1 46 HIS H 2.900 . 2.900 2.276 2.254 2.309 . 0 0 "[ . 1 . 2]" 1
869 1 45 ILE HB 1 47 SER H 5.000 . 5.000 4.480 4.463 4.494 . 0 0 "[ . 1 . 2]" 1
870 1 45 ILE H 1 45 ILE MD 3.500 . 5.000 3.489 3.365 3.580 . 0 0 "[ . 1 . 2]" 1
871 1 45 ILE MD 1 46 HIS H 5.000 . 6.500 4.187 4.143 4.239 . 0 0 "[ . 1 . 2]" 1
872 1 45 ILE H 1 45 ILE QG 3.500 . 4.500 2.514 2.471 2.569 . 0 0 "[ . 1 . 2]" 1
873 1 45 ILE QG 1 46 HIS H 5.000 . 6.000 4.071 4.057 4.086 . 0 0 "[ . 1 . 2]" 1
874 1 45 ILE H 1 45 ILE MG 3.500 . 5.000 3.677 3.669 3.685 . 0 0 "[ . 1 . 2]" 1
875 1 45 ILE MG 1 46 HIS H 2.900 . 4.400 2.417 2.392 2.432 . 0 0 "[ . 1 . 2]" 1
876 1 45 ILE MG 1 47 SER H 5.000 . 6.500 4.371 4.349 4.385 . 0 0 "[ . 1 . 2]" 1
877 1 45 ILE H 1 46 HIS H 2.900 . 2.900 2.882 2.854 2.902 0.002 19 0 "[ . 1 . 2]" 1
878 1 42 ASN H 1 45 ILE H 5.000 . 5.000 4.843 4.828 4.869 . 0 0 "[ . 1 . 2]" 1
879 1 43 ASP H 1 45 ILE H 5.000 . 5.000 4.114 4.082 4.149 . 0 0 "[ . 1 . 2]" 1
880 1 45 ILE H 1 47 SER H 5.000 . 5.000 3.761 3.749 3.779 . 0 0 "[ . 1 . 2]" 1
881 1 46 HIS H 1 46 HIS HA 2.900 . 2.900 2.840 2.837 2.843 . 0 0 "[ . 1 . 2]" 1
882 1 46 HIS HA 1 47 SER H 3.500 . 3.500 3.462 3.458 3.467 . 0 0 "[ . 1 . 2]" 1
883 1 46 HIS H 1 46 HIS QB 2.900 . 3.500 2.520 2.511 2.530 . 0 0 "[ . 1 . 2]" 1
884 1 46 HIS QB 1 47 SER H 2.900 . 3.900 2.976 2.956 2.985 . 0 0 "[ . 1 . 2]" 1
885 1 46 HIS QB 1 48 THR H 5.000 . 6.000 4.130 3.971 4.228 . 0 0 "[ . 1 . 2]" 1
886 1 46 HIS H 1 47 SER HA 5.000 . 5.000 4.809 4.781 4.828 . 0 0 "[ . 1 . 2]" 1
887 1 46 HIS H 1 47 SER H 2.900 . 2.900 2.538 2.518 2.552 . 0 0 "[ . 1 . 2]" 1
888 1 46 HIS H 1 48 THR MG 5.000 . 6.500 4.385 4.202 4.707 . 0 0 "[ . 1 . 2]" 1
889 1 46 HIS H 1 48 THR H 5.000 . 5.000 4.975 4.858 5.005 0.005 10 0 "[ . 1 . 2]" 1
890 1 44 TYR H 1 46 HIS H 5.000 . 5.000 4.347 4.302 4.408 . 0 0 "[ . 1 . 2]" 1
891 1 47 SER H 1 47 SER HA 2.900 . 2.900 2.284 2.277 2.288 . 0 0 "[ . 1 . 2]" 1
892 1 47 SER HA 1 48 THR H 2.900 . 2.900 2.393 2.364 2.442 . 0 0 "[ . 1 . 2]" 1
893 1 47 SER H 1 47 SER QB 3.500 . 4.100 3.277 3.041 3.496 . 0 0 "[ . 1 . 2]" 1
894 1 47 SER QB 1 48 THR H 5.000 . 6.000 3.936 3.853 4.029 . 0 0 "[ . 1 . 2]" 1
895 1 47 SER H 1 48 THR MG 5.000 . 6.500 3.550 3.387 3.849 . 0 0 "[ . 1 . 2]" 1
896 1 47 SER H 1 48 THR H 2.900 . 2.900 2.916 2.847 2.941 0.041 8 0 "[ . 1 . 2]" 1
897 1 48 THR H 1 48 THR HA 2.900 . 2.900 2.924 2.903 2.941 0.041 9 0 "[ . 1 . 2]" 1
898 1 48 THR HA 1 49 HIS H 2.900 . 2.900 2.372 2.117 2.956 0.056 12 0 "[ . 1 . 2]" 1
899 1 48 THR HA 1 50 GLY H 5.000 . 5.000 4.718 4.321 5.029 0.029 13 0 "[ . 1 . 2]" 1
900 1 48 THR HB 1 49 HIS H 3.500 . 3.500 3.011 1.892 3.520 0.020 14 0 "[ . 1 . 2]" 1
901 1 48 THR H 1 48 THR MG 2.900 . 4.400 2.666 2.220 3.064 . 0 0 "[ . 1 . 2]" 1
902 1 48 THR MG 1 49 HIS H 3.500 . 5.000 3.983 3.570 4.179 . 0 0 "[ . 1 . 2]" 1
903 1 48 THR H 1 49 HIS H 5.000 . 5.000 4.198 4.021 4.297 . 0 0 "[ . 1 . 2]" 1
904 1 49 HIS H 1 49 HIS HA 2.900 . 2.900 2.401 2.270 2.695 . 0 0 "[ . 1 . 2]" 1
905 1 49 HIS HA 1 50 GLY H 3.500 . 3.500 3.223 2.252 3.557 0.057 3 0 "[ . 1 . 2]" 1
906 1 49 HIS H 1 49 HIS QB 3.500 . 4.100 2.903 2.081 3.474 . 0 0 "[ . 1 . 2]" 1
907 1 49 HIS QB 1 50 GLY H 3.500 . 4.500 2.622 2.090 3.876 . 0 0 "[ . 1 . 2]" 1
908 1 49 HIS H 1 50 GLY H 3.500 . 3.500 3.362 3.101 3.603 0.103 18 0 "[ . 1 . 2]" 1
909 1 50 GLY QA 1 51 LYS H 2.900 . 3.900 2.211 2.165 2.246 . 0 0 "[ . 1 . 2]" 1
910 1 50 GLY H 1 51 LYS H 3.500 . 3.500 3.557 3.530 3.611 0.111 1 0 "[ . 1 . 2]" 1
911 1 51 LYS HA 1 52 GLU H 2.900 . 2.900 2.219 2.163 2.365 . 0 0 "[ . 1 . 2]" 1
912 1 51 LYS H 1 51 LYS QB 3.500 . 4.100 2.105 2.059 2.218 . 0 0 "[ . 1 . 2]" 1
913 1 51 LYS QB 1 52 GLU H 2.900 . 3.900 3.214 2.560 3.482 . 0 0 "[ . 1 . 2]" 1
914 1 51 LYS QD 1 52 GLU H 5.000 . 6.000 3.363 2.205 4.905 . 0 0 "[ . 1 . 2]" 1
915 1 51 LYS QG 1 52 GLU H 5.000 . 6.000 3.408 2.354 4.102 . 0 0 "[ . 1 . 2]" 1
916 1 51 LYS H 1 52 GLU H 5.000 . 5.000 4.587 4.524 4.631 . 0 0 "[ . 1 . 2]" 1
917 1 52 GLU HA 1 53 MET H 2.900 . 2.900 2.184 2.135 2.392 . 0 0 "[ . 1 . 2]" 1
918 1 52 GLU H 1 52 GLU QB 3.500 . 4.100 2.940 2.437 3.312 . 0 0 "[ . 1 . 2]" 1
919 1 52 GLU QB 1 53 MET H 5.000 . 6.000 2.970 2.509 3.368 . 0 0 "[ . 1 . 2]" 1
920 1 52 GLU H 1 52 GLU QG 3.500 . 4.500 2.673 2.093 3.947 . 0 0 "[ . 1 . 2]" 1
921 1 52 GLU H 1 53 MET H 5.000 . 5.000 4.327 4.192 4.447 . 0 0 "[ . 1 . 2]" 1
922 1 53 MET HA 1 54 ASP H 2.900 . 2.900 2.183 2.144 2.288 . 0 0 "[ . 1 . 2]" 1
923 1 53 MET H 1 53 MET QB 3.500 . 4.100 2.562 2.323 3.213 . 0 0 "[ . 1 . 2]" 1
924 1 53 MET QB 1 54 ASP H 3.500 . 4.500 3.504 2.617 3.866 . 0 0 "[ . 1 . 2]" 1
925 1 53 MET ME 1 100 GLN QE 5.000 . 7.500 4.887 3.703 5.315 . 0 0 "[ . 1 . 2]" 1
926 1 53 MET ME 1 102 TRP HE1 5.000 . 6.500 2.748 2.635 3.030 . 0 0 "[ . 1 . 2]" 1
927 1 53 MET ME 1 102 TRP H 5.000 . 6.500 2.444 2.133 3.209 . 0 0 "[ . 1 . 2]" 1
928 1 53 MET ME 1 96 SER H 3.500 . 5.000 3.824 3.107 4.106 . 0 0 "[ . 1 . 2]" 1
929 1 53 MET QG 1 102 TRP HE1 5.000 . 6.000 5.384 5.173 5.479 . 0 0 "[ . 1 . 2]" 1
930 1 53 MET QG 1 54 ASP H 3.500 . 4.500 3.151 2.790 3.982 . 0 0 "[ . 1 . 2]" 1
931 1 53 MET H 1 54 ASP H 5.000 . 5.000 4.310 4.158 4.481 . 0 0 "[ . 1 . 2]" 1
932 1 54 ASP HA 1 55 LEU H 2.900 . 2.900 2.162 2.148 2.176 . 0 0 "[ . 1 . 2]" 1
933 1 54 ASP HA 1 56 LEU H 5.000 . 5.000 3.837 3.697 4.028 . 0 0 "[ . 1 . 2]" 1
934 1 54 ASP H 1 54 ASP QB 2.900 . 3.500 2.255 2.075 2.645 . 0 0 "[ . 1 . 2]" 1
935 1 54 ASP QB 1 55 LEU H 5.000 . 6.000 3.472 3.056 3.710 . 0 0 "[ . 1 . 2]" 1
936 1 54 ASP QB 1 56 LEU H 5.000 . 6.000 2.769 2.454 3.130 . 0 0 "[ . 1 . 2]" 1
937 1 55 LEU QD 1 123 ILE H 3.500 . 5.900 3.188 2.842 3.603 . 0 0 "[ . 1 . 2]" 1
938 1 55 LEU H 1 55 LEU QD 3.500 . 5.200 3.368 2.886 3.547 . 0 0 "[ . 1 . 2]" 1
939 1 55 LEU QD 1 56 LEU H 5.000 . 7.400 4.517 4.373 4.660 . 0 0 "[ . 1 . 2]" 1
940 1 55 LEU H 1 55 LEU HG 5.000 . 5.000 3.184 2.831 3.470 . 0 0 "[ . 1 . 2]" 1
941 1 55 LEU H 1 58 THR MG 5.000 . 6.500 4.475 4.218 4.658 . 0 0 "[ . 1 . 2]" 1
942 1 56 LEU HA 1 58 THR H 5.000 . 5.000 4.520 4.319 4.736 . 0 0 "[ . 1 . 2]" 1
943 1 56 LEU QB 1 58 THR H 5.000 . 6.000 4.665 4.298 4.909 . 0 0 "[ . 1 . 2]" 1
944 1 56 LEU QD 1 126 SER H 5.000 . 7.400 5.125 4.541 5.510 . 0 0 "[ . 1 . 2]" 1
945 1 56 LEU H 1 56 LEU QD 3.500 . 5.200 3.658 3.244 3.789 . 0 0 "[ . 1 . 2]" 1
946 1 56 LEU H 1 58 THR H 5.000 . 5.000 4.061 3.564 4.318 . 0 0 "[ . 1 . 2]" 1
947 1 58 THR HA 1 59 THR H 2.900 . 2.900 2.375 2.329 2.388 . 0 0 "[ . 1 . 2]" 1
948 1 58 THR H 1 58 THR HB 3.500 . 3.500 3.465 3.422 3.499 . 0 0 "[ . 1 . 2]" 1
949 1 58 THR HB 1 59 THR H 2.900 . 2.900 2.589 2.553 2.642 . 0 0 "[ . 1 . 2]" 1
950 1 58 THR HB 1 95 VAL H 5.000 . 5.000 4.094 3.705 4.337 . 0 0 "[ . 1 . 2]" 1
951 1 58 THR H 1 58 THR MG 2.900 . 4.400 3.249 2.928 3.391 . 0 0 "[ . 1 . 2]" 1
952 1 58 THR MG 1 59 THR H 3.500 . 5.000 3.078 2.908 3.310 . 0 0 "[ . 1 . 2]" 1
953 1 58 THR MG 1 95 VAL H 3.500 . 5.000 3.887 3.870 3.918 . 0 0 "[ . 1 . 2]" 1
954 1 58 THR MG 1 96 SER H 5.000 . 6.500 3.713 3.568 3.922 . 0 0 "[ . 1 . 2]" 1
955 1 58 THR MG 1 97 SER H 5.000 . 6.500 3.505 3.123 3.667 . 0 0 "[ . 1 . 2]" 1
956 1 58 THR H 1 123 ILE MD 5.000 . 6.500 3.388 3.017 3.790 . 0 0 "[ . 1 . 2]" 1
957 1 58 THR H 1 123 ILE MG 5.000 . 6.500 2.759 2.427 3.004 . 0 0 "[ . 1 . 2]" 1
958 1 58 THR H 1 59 THR H 5.000 . 5.000 4.551 4.502 4.611 . 0 0 "[ . 1 . 2]" 1
959 1 59 THR HA 1 60 VAL H 2.900 . 2.900 2.404 2.286 2.509 . 0 0 "[ . 1 . 2]" 1
960 1 59 THR H 1 59 THR HB 3.500 . 3.500 3.281 3.017 3.520 0.020 20 0 "[ . 1 . 2]" 1
961 1 59 THR HB 1 60 VAL H 2.900 . 2.900 2.903 2.797 2.916 0.016 1 0 "[ . 1 . 2]" 1
962 1 59 THR HB 1 95 VAL H 5.000 . 5.000 3.889 3.570 4.449 . 0 0 "[ . 1 . 2]" 1
963 1 59 THR H 1 59 THR MG 3.500 . 5.000 3.812 3.536 3.948 . 0 0 "[ . 1 . 2]" 1
964 1 59 THR MG 1 95 VAL H 5.000 . 6.500 5.050 4.859 5.286 . 0 0 "[ . 1 . 2]" 1
965 1 59 THR H 1 60 VAL H 5.000 . 5.000 4.438 4.425 4.459 . 0 0 "[ . 1 . 2]" 1
966 1 59 THR H 1 94 ILE MG 5.000 . 6.500 3.950 3.759 4.242 . 0 0 "[ . 1 . 2]" 1
967 1 59 THR H 1 95 VAL HB 5.000 . 5.000 2.725 2.476 2.995 . 0 0 "[ . 1 . 2]" 1
968 1 59 THR H 1 95 VAL QG 5.000 . 7.400 3.448 3.249 3.582 . 0 0 "[ . 1 . 2]" 1
969 1 59 THR H 1 95 VAL H 3.500 . 3.500 2.788 2.722 2.917 . 0 0 "[ . 1 . 2]" 1
970 1 60 VAL HA 1 61 LYS H 2.900 . 2.900 2.158 2.140 2.180 . 0 0 "[ . 1 . 2]" 1
971 1 60 VAL HA 1 95 VAL H 3.500 . 3.500 3.490 3.340 3.523 0.023 18 0 "[ . 1 . 2]" 1
972 1 60 VAL HB 1 61 LYS H 5.000 . 5.000 3.788 3.172 4.264 . 0 0 "[ . 1 . 2]" 1
973 1 60 VAL QG 1 120 GLU H 5.000 . 7.400 3.334 3.081 3.627 . 0 0 "[ . 1 . 2]" 1
974 1 60 VAL QG 1 61 LYS H 3.500 . 5.900 3.015 2.431 3.598 . 0 0 "[ . 1 . 2]" 1
975 1 60 VAL QG 1 93 LEU H 5.000 . 7.400 3.666 2.851 4.576 . 0 0 "[ . 1 . 2]" 1
976 1 60 VAL H 1 123 ILE MD 5.000 . 6.500 4.511 4.253 4.856 . 0 0 "[ . 1 . 2]" 1
977 1 60 VAL H 1 61 LYS H 5.000 . 5.000 4.278 4.177 4.365 . 0 0 "[ . 1 . 2]" 1
978 1 61 LYS HA 1 62 VAL H 2.900 . 2.900 2.346 2.190 2.404 . 0 0 "[ . 1 . 2]" 1
979 1 61 LYS H 1 61 LYS QB 3.500 . 4.100 2.772 2.218 3.287 . 0 0 "[ . 1 . 2]" 1
980 1 61 LYS QB 1 62 VAL H 3.500 . 4.500 2.630 2.360 3.256 . 0 0 "[ . 1 . 2]" 1
981 1 61 LYS QG 1 62 VAL H 3.500 . 4.500 3.347 2.704 4.034 . 0 0 "[ . 1 . 2]" 1
982 1 61 LYS H 1 62 VAL H 5.000 . 5.000 4.454 4.378 4.557 . 0 0 "[ . 1 . 2]" 1
983 1 61 LYS H 1 94 ILE HA 5.000 . 5.000 4.160 3.702 4.377 . 0 0 "[ . 1 . 2]" 1
984 1 61 LYS H 1 95 VAL QG 5.000 . 7.400 3.947 3.392 4.327 . 0 0 "[ . 1 . 2]" 1
985 1 61 LYS H 1 95 VAL H 5.000 . 5.000 4.544 4.040 4.877 . 0 0 "[ . 1 . 2]" 1
986 1 62 VAL HA 1 93 LEU H 5.000 . 5.000 3.532 3.206 3.834 . 0 0 "[ . 1 . 2]" 1
987 1 62 VAL HB 1 65 LYS H 5.000 . 5.000 4.271 2.834 5.010 0.010 12 0 "[ . 1 . 2]" 1
988 1 62 VAL H 1 62 VAL QG 2.900 . 4.600 2.355 1.917 2.945 . 0 0 "[ . 1 . 2]" 1
989 1 62 VAL QG 1 64 GLY H 5.000 . 7.400 3.946 3.110 5.183 . 0 0 "[ . 1 . 2]" 1
990 1 62 VAL QG 1 65 LYS H 5.000 . 7.400 3.331 2.094 4.850 . 0 0 "[ . 1 . 2]" 1
991 1 63 PRO HA 1 64 GLY H 2.900 . 2.900 2.446 2.154 2.728 . 0 0 "[ . 1 . 2]" 1
992 1 63 PRO QB 1 64 GLY H 3.500 . 4.500 3.619 1.916 4.001 . 0 0 "[ . 1 . 2]" 1
993 1 63 PRO QD 1 93 LEU H 5.000 . 6.000 4.085 3.381 4.585 . 0 0 "[ . 1 . 2]" 1
994 1 63 PRO QG 1 64 GLY H 5.000 . 6.000 4.576 3.623 4.879 . 0 0 "[ . 1 . 2]" 1
995 1 64 GLY QA 1 65 LYS H 2.900 . 3.900 2.485 2.123 2.881 . 0 0 "[ . 1 . 2]" 1
996 1 64 GLY H 1 65 LYS H 3.500 . 3.500 3.215 2.648 3.529 0.029 7 0 "[ . 1 . 2]" 1
997 1 65 LYS H 1 65 LYS HA 2.900 . 2.900 2.832 2.730 2.940 0.040 11 0 "[ . 1 . 2]" 1
998 1 65 LYS HA 1 66 ARG H 2.900 . 2.900 2.385 2.139 2.518 . 0 0 "[ . 1 . 2]" 1
999 1 65 LYS H 1 65 LYS QG 3.500 . 4.500 3.410 1.896 4.089 . 0 0 "[ . 1 . 2]" 1
1000 1 65 LYS QG 1 66 ARG H 3.500 . 4.500 3.153 1.951 4.081 . 0 0 "[ . 1 . 2]" 1
1001 1 65 LYS H 1 66 ARG H 5.000 . 5.000 4.507 4.186 4.642 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ARG H 1 66 ARG HA 2.900 . 2.900 2.697 2.274 2.917 0.017 7 0 "[ . 1 . 2]" 1
1003 1 66 ARG H 1 66 ARG QD 5.000 . 6.000 3.916 2.384 4.906 . 0 0 "[ . 1 . 2]" 1
1004 1 66 ARG H 1 67 PRO QD 5.000 . 6.000 4.326 4.068 4.407 . 0 0 "[ . 1 . 2]" 1
1005 1 68 PRO HA 1 69 ARG H 2.900 . 2.900 2.308 2.150 2.839 . 0 0 "[ . 1 . 2]" 1
1006 1 68 PRO QB 1 69 ARG H 3.500 . 4.500 3.405 2.457 4.012 . 0 0 "[ . 1 . 2]" 1
1007 1 68 PRO QB 1 91 GLU H 5.000 . 6.000 5.169 4.591 5.398 . 0 0 "[ . 1 . 2]" 1
1008 1 68 PRO QD 1 69 ARG H 5.000 . 6.000 4.722 3.526 5.006 . 0 0 "[ . 1 . 2]" 1
1009 1 68 PRO QG 1 69 ARG H 5.000 . 6.000 4.595 4.045 4.865 . 0 0 "[ . 1 . 2]" 1
1010 1 69 ARG H 1 69 ARG HA 2.900 . 2.900 2.834 2.272 2.936 0.036 12 0 "[ . 1 . 2]" 1
1011 1 69 ARG HA 1 70 ALA H 2.900 . 2.900 2.359 2.141 2.854 . 0 0 "[ . 1 . 2]" 1
1012 1 69 ARG H 1 69 ARG QB 2.900 . 3.500 2.490 2.117 3.115 . 0 0 "[ . 1 . 2]" 1
1013 1 69 ARG QB 1 70 ALA H 3.500 . 4.500 3.146 1.949 3.896 . 0 0 "[ . 1 . 2]" 1
1014 1 69 ARG H 1 69 ARG QD 5.000 . 6.000 4.044 2.034 4.966 . 0 0 "[ . 1 . 2]" 1
1015 1 69 ARG H 1 69 ARG QG 2.900 . 3.900 3.239 2.110 3.602 . 0 0 "[ . 1 . 2]" 1
1016 1 69 ARG QG 1 70 ALA H 5.000 . 6.000 4.145 3.094 4.774 . 0 0 "[ . 1 . 2]" 1
1017 1 70 ALA H 1 70 ALA MB 2.900 . 4.000 2.170 2.085 2.242 . 0 0 "[ . 1 . 2]" 1
1018 1 70 ALA MB 1 71 ILE H 2.900 . 4.400 2.560 2.244 2.880 . 0 0 "[ . 1 . 2]" 1
1019 1 70 ALA MB 1 72 SER H 5.000 . 6.500 4.505 3.750 5.369 . 0 0 "[ . 1 . 2]" 1
1020 1 70 ALA H 1 71 ILE H 5.000 . 5.000 2.613 2.309 2.934 . 0 0 "[ . 1 . 2]" 1
1021 1 71 ILE H 1 71 ILE HA 2.900 . 2.900 2.876 2.760 2.936 0.036 18 0 "[ . 1 . 2]" 1
1022 1 71 ILE HA 1 72 SER H 3.500 . 3.500 3.459 2.198 3.553 0.053 14 0 "[ . 1 . 2]" 1
1023 1 71 ILE H 1 71 ILE HB 2.900 . 2.900 2.695 2.606 2.932 0.032 7 0 "[ . 1 . 2]" 1
1024 1 71 ILE HB 1 72 SER H 3.500 . 3.500 2.504 1.868 3.575 0.075 7 0 "[ . 1 . 2]" 1
1025 1 71 ILE H 1 71 ILE QG 2.900 . 3.900 2.404 1.819 3.211 . 0 0 "[ . 1 . 2]" 1
1026 1 71 ILE MG 1 72 SER H 3.500 . 5.000 3.391 1.935 3.849 . 0 0 "[ . 1 . 2]" 1
1027 1 71 ILE H 1 72 SER H 5.000 . 5.000 2.602 2.120 4.587 . 0 0 "[ . 1 . 2]" 1
1028 1 72 SER H 1 72 SER HA 2.900 . 2.900 2.604 2.273 2.935 0.035 17 0 "[ . 1 . 2]" 1
1029 1 72 SER HA 1 73 ALA H 2.900 . 2.900 2.433 2.138 2.835 . 0 0 "[ . 1 . 2]" 1
1030 1 72 SER H 1 72 SER QB 3.500 . 4.100 2.919 2.096 3.365 . 0 0 "[ . 1 . 2]" 1
1031 1 72 SER QB 1 73 ALA H 3.500 . 4.500 3.368 1.969 4.063 . 0 0 "[ . 1 . 2]" 1
1032 1 73 ALA HA 1 74 PHE H 2.900 . 2.900 3.033 3.031 3.035 0.135 9 0 "[ . 1 . 2]" 1
1033 1 73 ALA H 1 73 ALA MB 2.900 . 4.000 2.241 2.157 2.326 . 0 0 "[ . 1 . 2]" 1
1034 1 73 ALA MB 1 74 PHE H 2.900 . 4.400 3.519 3.512 3.529 . 0 0 "[ . 1 . 2]" 1
1035 1 73 ALA H 1 74 PHE H 5.000 . 5.000 2.655 2.652 2.662 . 0 0 "[ . 1 . 2]" 1
1036 1 74 PHE HA 1 75 GLY H 2.900 . 2.900 2.341 2.145 2.896 . 0 0 "[ . 1 . 2]" 1
1037 1 74 PHE H 1 74 PHE QB 2.900 . 3.500 2.584 2.103 2.959 . 0 0 "[ . 1 . 2]" 1
1038 1 74 PHE QB 1 75 GLY H 5.000 . 6.000 3.372 2.157 3.994 . 0 0 "[ . 1 . 2]" 1
1039 1 76 PRO HA 1 77 SER H 3.500 . 3.500 2.498 2.153 3.517 0.017 6 0 "[ . 1 . 2]" 1
1040 1 76 PRO QB 1 77 SER H 5.000 . 6.000 3.125 2.050 3.906 . 0 0 "[ . 1 . 2]" 1
1041 1 76 PRO QD 1 77 SER H 5.000 . 6.000 4.512 2.430 5.007 . 0 0 "[ . 1 . 2]" 1
1042 1 76 PRO QG 1 77 SER H 5.000 . 6.000 4.272 2.321 4.878 . 0 0 "[ . 1 . 2]" 1
1043 1 77 SER HA 1 78 ALA H 2.900 . 2.900 2.318 2.147 2.819 . 0 0 "[ . 1 . 2]" 1
1044 1 77 SER H 1 77 SER QB 3.500 . 4.100 2.703 2.082 3.419 . 0 0 "[ . 1 . 2]" 1
1045 1 77 SER QB 1 78 ALA H 5.000 . 6.000 3.368 2.085 3.981 . 0 0 "[ . 1 . 2]" 1
1046 1 78 ALA HA 1 79 SER H 3.500 . 3.500 3.501 3.445 3.547 0.047 12 0 "[ . 1 . 2]" 1
1047 1 78 ALA H 1 78 ALA MB 2.900 . 4.000 2.194 2.096 2.279 . 0 0 "[ . 1 . 2]" 1
1048 1 78 ALA MB 1 79 SER H 5.000 . 6.500 2.711 2.045 2.978 . 0 0 "[ . 1 . 2]" 1
1049 1 78 ALA MB 1 80 GLY H 5.000 . 6.500 4.827 3.597 5.403 . 0 0 "[ . 1 . 2]" 1
1050 1 79 SER HA 1 80 GLY H 2.900 . 2.900 2.381 2.155 2.906 0.006 10 0 "[ . 1 . 2]" 1
1051 1 79 SER H 1 79 SER QB 3.500 . 4.100 2.927 2.330 3.386 . 0 0 "[ . 1 . 2]" 1
1052 1 79 SER QB 1 80 GLY H 5.000 . 6.000 3.776 2.037 4.060 . 0 0 "[ . 1 . 2]" 1
1053 1 80 GLY QA 1 81 SER H 2.900 . 3.900 2.286 2.110 2.689 . 0 0 "[ . 1 . 2]" 1
1054 1 81 SER HA 1 82 ALA H 2.900 . 2.900 2.380 2.138 2.838 . 0 0 "[ . 1 . 2]" 1
1055 1 81 SER H 1 81 SER QB 3.500 . 4.100 2.769 2.138 3.213 . 0 0 "[ . 1 . 2]" 1
1056 1 81 SER QB 1 82 ALA H 3.500 . 4.500 3.117 1.996 4.061 . 0 0 "[ . 1 . 2]" 1
1057 1 82 ALA HA 1 83 GLY H 2.900 . 2.900 2.417 2.153 2.666 . 0 0 "[ . 1 . 2]" 1
1058 1 82 ALA H 1 82 ALA MB 2.900 . 4.000 2.562 2.128 2.901 . 0 0 "[ . 1 . 2]" 1
1059 1 82 ALA MB 1 83 GLY H 3.500 . 5.000 2.650 1.967 3.722 . 0 0 "[ . 1 . 2]" 1
1060 1 82 ALA MB 1 84 GLN H 5.000 . 6.500 4.250 2.665 5.307 . 0 0 "[ . 1 . 2]" 1
1061 1 83 GLY QA 1 84 GLN H 2.900 . 3.900 2.487 2.109 2.852 . 0 0 "[ . 1 . 2]" 1
1062 1 83 GLY QA 1 85 ALA H 5.000 . 6.000 4.349 3.387 4.949 . 0 0 "[ . 1 . 2]" 1
1063 1 83 GLY H 1 84 GLN H 5.000 . 5.000 3.104 2.023 4.576 . 0 0 "[ . 1 . 2]" 1
1064 1 84 GLN HA 1 85 ALA H 3.500 . 3.500 3.050 2.254 3.549 0.049 13 0 "[ . 1 . 2]" 1
1065 1 84 GLN QB 1 85 ALA H 3.500 . 4.500 3.063 1.924 4.047 . 0 0 "[ . 1 . 2]" 1
1066 1 84 GLN QG 1 85 ALA H 3.500 . 4.500 3.848 3.153 4.053 . 0 0 "[ . 1 . 2]" 1
1067 1 84 GLN H 1 85 ALA H 3.500 . 3.500 2.693 1.965 3.503 0.003 9 0 "[ . 1 . 2]" 1
1068 1 85 ALA HA 1 86 GLU H 2.900 . 2.900 2.393 2.141 2.903 0.003 11 0 "[ . 1 . 2]" 1
1069 1 85 ALA H 1 85 ALA MB 2.900 . 4.000 2.510 2.092 2.916 . 0 0 "[ . 1 . 2]" 1
1070 1 85 ALA MB 1 86 GLU H 2.900 . 4.400 2.979 1.946 3.642 . 0 0 "[ . 1 . 2]" 1
1071 1 85 ALA MB 1 87 GLU H 5.000 . 6.500 4.171 2.859 5.190 . 0 0 "[ . 1 . 2]" 1
1072 1 86 GLU HA 1 87 GLU H 2.900 . 2.900 2.581 2.140 2.906 0.006 8 0 "[ . 1 . 2]" 1
1073 1 87 GLU QB 1 88 GLU H 3.500 . 4.500 2.749 2.249 3.188 . 0 0 "[ . 1 . 2]" 1
1074 1 88 GLU HA 1 89 ASN H 3.500 . 3.500 2.750 2.362 3.174 . 0 0 "[ . 1 . 2]" 1
1075 1 88 GLU H 1 88 GLU QB 2.900 . 3.500 2.808 2.267 3.090 . 0 0 "[ . 1 . 2]" 1
1076 1 88 GLU QB 1 89 ASN H 3.500 . 4.500 3.861 3.734 4.009 . 0 0 "[ . 1 . 2]" 1
1077 1 88 GLU H 1 88 GLU QG 2.900 . 3.900 3.015 2.177 3.377 . 0 0 "[ . 1 . 2]" 1
1078 1 88 GLU QG 1 89 ASN H 5.000 . 6.000 4.456 3.239 4.833 . 0 0 "[ . 1 . 2]" 1
1079 1 88 GLU H 1 89 ASN H 3.500 . 3.500 2.971 2.550 3.517 0.017 19 0 "[ . 1 . 2]" 1
1080 1 89 ASN HA 1 90 PHE H 3.500 . 3.500 2.165 2.145 2.176 . 0 0 "[ . 1 . 2]" 1
1081 1 89 ASN H 1 89 ASN QB 3.500 . 4.100 2.358 2.071 2.929 . 0 0 "[ . 1 . 2]" 1
1082 1 89 ASN QB 1 90 PHE H 5.000 . 6.000 3.686 3.513 3.828 . 0 0 "[ . 1 . 2]" 1
1083 1 89 ASN H 1 89 ASN QD 5.000 . 6.000 3.873 2.137 4.968 . 0 0 "[ . 1 . 2]" 1
1084 1 89 ASN H 1 90 PHE H 5.000 . 5.000 4.217 3.887 4.397 . 0 0 "[ . 1 . 2]" 1
1085 1 90 PHE HA 1 91 GLU H 5.000 . 5.000 2.157 2.118 2.237 . 0 0 "[ . 1 . 2]" 1
1086 1 90 PHE QB 1 106 ALA H 5.000 . 6.000 4.036 3.843 4.396 . 0 0 "[ . 1 . 2]" 1
1087 1 90 PHE H 1 91 GLU H 5.000 . 5.000 4.286 4.058 4.590 . 0 0 "[ . 1 . 2]" 1
1088 1 91 GLU HA 1 106 ALA H 5.000 . 5.000 3.121 2.772 3.365 . 0 0 "[ . 1 . 2]" 1
1089 1 91 GLU HA 1 92 PHE H 2.900 . 2.900 2.182 2.166 2.219 . 0 0 "[ . 1 . 2]" 1
1090 1 91 GLU QB 1 106 ALA H 5.000 . 6.000 4.802 4.462 5.099 . 0 0 "[ . 1 . 2]" 1
1091 1 91 GLU H 1 91 GLU QB 3.500 . 4.100 2.929 2.744 3.070 . 0 0 "[ . 1 . 2]" 1
1092 1 91 GLU QB 1 92 PHE H 3.500 . 4.500 3.109 2.959 3.160 . 0 0 "[ . 1 . 2]" 1
1093 1 91 GLU QG 1 106 ALA H 5.000 . 6.000 4.477 3.996 4.689 . 0 0 "[ . 1 . 2]" 1
1094 1 91 GLU H 1 91 GLU QG 3.500 . 4.500 3.131 2.560 3.542 . 0 0 "[ . 1 . 2]" 1
1095 1 91 GLU QG 1 92 PHE H 5.000 . 6.000 4.427 4.292 4.583 . 0 0 "[ . 1 . 2]" 1
1096 1 91 GLU H 1 92 PHE H 5.000 . 5.000 4.256 4.183 4.336 . 0 0 "[ . 1 . 2]" 1
1097 1 92 PHE HA 1 93 LEU H 2.900 . 2.900 2.282 2.175 2.398 . 0 0 "[ . 1 . 2]" 1
1098 1 92 PHE QB 1 93 LEU H 5.000 . 6.000 2.708 2.437 2.976 . 0 0 "[ . 1 . 2]" 1
1099 1 92 PHE H 1 105 GLU HA 5.000 . 5.000 3.307 3.133 3.504 . 0 0 "[ . 1 . 2]" 1
1100 1 92 PHE H 1 93 LEU H 5.000 . 5.000 4.459 4.385 4.493 . 0 0 "[ . 1 . 2]" 1
1101 1 93 LEU HA 1 104 PHE H 5.000 . 5.000 3.084 2.861 3.266 . 0 0 "[ . 1 . 2]" 1
1102 1 93 LEU HA 1 94 ILE H 2.900 . 2.900 2.237 2.186 2.342 . 0 0 "[ . 1 . 2]" 1
1103 1 93 LEU H 1 93 LEU QB 3.500 . 4.100 2.401 2.263 2.502 . 0 0 "[ . 1 . 2]" 1
1104 1 93 LEU QB 1 94 ILE H 3.500 . 4.500 2.811 2.461 2.987 . 0 0 "[ . 1 . 2]" 1
1105 1 93 LEU QD 1 94 ILE H 5.000 . 7.400 3.359 2.843 3.810 . 0 0 "[ . 1 . 2]" 1
1106 1 93 LEU H 1 93 LEU HG 5.000 . 5.000 3.473 3.283 3.611 . 0 0 "[ . 1 . 2]" 1
1107 1 93 LEU H 1 94 ILE H 5.000 . 5.000 4.495 4.461 4.549 . 0 0 "[ . 1 . 2]" 1
1108 1 94 ILE HA 1 95 VAL H 2.900 . 2.900 2.196 2.175 2.210 . 0 0 "[ . 1 . 2]" 1
1109 1 94 ILE HB 1 102 TRP H 5.000 . 5.000 2.655 2.567 2.827 . 0 0 "[ . 1 . 2]" 1
1110 1 94 ILE H 1 94 ILE MD 5.000 . 6.500 3.407 3.237 3.564 . 0 0 "[ . 1 . 2]" 1
1111 1 94 ILE QG 1 95 VAL H 5.000 . 6.000 4.870 4.839 4.910 . 0 0 "[ . 1 . 2]" 1
1112 1 94 ILE MG 1 95 VAL H 3.500 . 5.000 2.998 2.898 3.177 . 0 0 "[ . 1 . 2]" 1
1113 1 94 ILE H 1 101 THR HA 5.000 . 5.000 4.166 4.066 4.233 . 0 0 "[ . 1 . 2]" 1
1114 1 94 ILE H 1 101 THR MG 5.000 . 6.500 3.096 2.930 3.323 . 0 0 "[ . 1 . 2]" 1
1115 1 94 ILE H 1 102 TRP H 2.900 . 2.900 2.921 2.837 2.954 0.054 12 0 "[ . 1 . 2]" 1
1116 1 94 ILE H 1 103 HIS HA 5.000 . 5.000 3.301 3.208 3.366 . 0 0 "[ . 1 . 2]" 1
1117 1 95 VAL HA 1 102 TRP H 5.000 . 5.000 3.656 3.590 3.709 . 0 0 "[ . 1 . 2]" 1
1118 1 95 VAL HA 1 96 SER H 2.900 . 2.900 2.143 2.125 2.161 . 0 0 "[ . 1 . 2]" 1
1119 1 95 VAL H 1 95 VAL HB 3.500 . 3.500 2.547 2.501 2.587 . 0 0 "[ . 1 . 2]" 1
1120 1 95 VAL HB 1 96 SER H 5.000 . 5.000 4.137 4.038 4.239 . 0 0 "[ . 1 . 2]" 1
1121 1 95 VAL QG 1 100 GLN H 5.000 . 7.400 4.405 4.001 4.554 . 0 0 "[ . 1 . 2]" 1
1122 1 95 VAL QG 1 101 THR H 5.000 . 7.400 4.572 4.341 4.677 . 0 0 "[ . 1 . 2]" 1
1123 1 95 VAL H 1 95 VAL QG 2.900 . 4.600 2.548 2.352 2.643 . 0 0 "[ . 1 . 2]" 1
1124 1 95 VAL QG 1 96 SER H 2.900 . 5.300 2.373 2.133 2.559 . 0 0 "[ . 1 . 2]" 1
1125 1 95 VAL QG 1 99 GLY H 3.500 . 5.900 3.719 3.646 3.770 . 0 0 "[ . 1 . 2]" 1
1126 1 95 VAL H 1 96 SER H 5.000 . 5.000 4.472 4.420 4.500 . 0 0 "[ . 1 . 2]" 1
1127 1 96 SER HA 1 97 SER H 2.900 . 2.900 2.659 2.496 2.681 . 0 0 "[ . 1 . 2]" 1
1128 1 96 SER HA 1 98 THR H 5.000 . 5.000 4.254 4.075 4.346 . 0 0 "[ . 1 . 2]" 1
1129 1 96 SER QB 1 100 GLN H 3.500 . 4.500 3.165 2.627 4.062 . 0 0 "[ . 1 . 2]" 1
1130 1 96 SER H 1 96 SER QB 2.900 . 3.500 2.405 2.225 3.028 . 0 0 "[ . 1 . 2]" 1
1131 1 96 SER QB 1 97 SER H 3.500 . 4.500 2.504 1.965 3.178 . 0 0 "[ . 1 . 2]" 1
1132 1 96 SER QB 1 98 THR H 5.000 . 6.000 2.407 2.052 3.246 . 0 0 "[ . 1 . 2]" 1
1133 1 96 SER QB 1 99 GLY H 5.000 . 6.000 3.825 3.486 4.439 . 0 0 "[ . 1 . 2]" 1
1134 1 96 SER H 1 100 GLN QB 5.000 . 6.000 3.404 3.179 3.700 . 0 0 "[ . 1 . 2]" 1
1135 1 96 SER H 1 100 GLN H 5.000 . 5.000 3.890 3.344 4.025 . 0 0 "[ . 1 . 2]" 1
1136 1 96 SER H 1 101 THR HA 3.500 . 3.500 3.416 3.263 3.503 0.003 7 0 "[ . 1 . 2]" 1
1137 1 97 SER HA 1 98 THR H 5.000 . 5.000 3.372 3.268 3.443 . 0 0 "[ . 1 . 2]" 1
1138 1 97 SER HA 1 99 GLY H 3.500 . 3.500 3.543 3.515 3.558 0.058 5 0 "[ . 1 . 2]" 1
1139 1 97 SER H 1 97 SER QB 2.900 . 3.500 2.512 2.150 2.960 . 0 0 "[ . 1 . 2]" 1
1140 1 97 SER QB 1 98 THR H 5.000 . 6.000 3.416 3.083 3.882 . 0 0 "[ . 1 . 2]" 1
1141 1 97 SER QB 1 99 GLY H 5.000 . 6.000 4.724 4.570 4.875 . 0 0 "[ . 1 . 2]" 1
1142 1 97 SER H 1 98 THR H 3.500 . 3.500 2.438 2.372 2.611 . 0 0 "[ . 1 . 2]" 1
1143 1 97 SER H 1 99 GLY H 5.000 . 5.000 4.312 4.196 4.440 . 0 0 "[ . 1 . 2]" 1
1144 1 98 THR HA 1 99 GLY H 2.900 . 2.900 2.985 2.969 3.004 0.104 12 0 "[ . 1 . 2]" 1
1145 1 98 THR HB 1 99 GLY H 5.000 . 5.000 4.571 4.531 4.589 . 0 0 "[ . 1 . 2]" 1
1146 1 98 THR MG 1 100 GLN H 5.000 . 6.500 2.248 2.020 4.149 . 0 0 "[ . 1 . 2]" 1
1147 1 98 THR H 1 98 THR MG 2.900 . 4.400 2.071 1.951 2.326 . 0 0 "[ . 1 . 2]" 1
1148 1 98 THR MG 1 99 GLY H 3.500 . 5.000 3.491 3.370 4.141 . 0 0 "[ . 1 . 2]" 1
1149 1 98 THR H 1 100 GLN H 5.000 . 5.000 3.281 3.098 3.368 . 0 0 "[ . 1 . 2]" 1
1150 1 98 THR H 1 99 GLY QA 5.000 . 6.000 4.360 4.235 4.447 . 0 0 "[ . 1 . 2]" 1
1151 1 98 THR H 1 99 GLY H 2.900 . 2.900 2.598 2.445 2.709 . 0 0 "[ . 1 . 2]" 1
1152 1 99 GLY QA 1 100 GLN H 3.500 . 4.500 2.894 2.873 2.940 . 0 0 "[ . 1 . 2]" 1
1153 1 99 GLY H 1 100 GLN QB 5.000 . 6.000 4.472 4.414 4.608 . 0 0 "[ . 1 . 2]" 1
1154 1 99 GLY H 1 100 GLN H 2.900 . 2.900 2.880 2.704 2.913 0.013 9 0 "[ . 1 . 2]" 1
1155 1 100 GLN H 1 100 GLN HA 2.900 . 2.900 2.770 2.738 2.870 . 0 0 "[ . 1 . 2]" 1
1156 1 100 GLN HA 1 101 THR H 2.900 . 2.900 2.164 2.143 2.229 . 0 0 "[ . 1 . 2]" 1
1157 1 100 GLN H 1 100 GLN QB 2.900 . 3.500 2.091 2.041 2.210 . 0 0 "[ . 1 . 2]" 1
1158 1 100 GLN QB 1 101 THR H 3.500 . 4.500 3.630 3.357 3.796 . 0 0 "[ . 1 . 2]" 1
1159 1 100 GLN QB 1 102 TRP HE1 5.000 . 6.000 3.465 2.803 3.833 . 0 0 "[ . 1 . 2]" 1
1160 1 100 GLN QE 1 100 GLN QG 2.900 . 4.900 2.192 2.066 2.545 . 0 0 "[ . 1 . 2]" 1
1161 1 100 GLN H 1 100 GLN QG 3.500 . 4.500 3.876 3.699 4.027 . 0 0 "[ . 1 . 2]" 1
1162 1 100 GLN QG 1 101 THR H 3.500 . 4.500 2.958 2.417 3.289 . 0 0 "[ . 1 . 2]" 1
1163 1 100 GLN QG 1 102 TRP HE1 5.000 . 6.000 2.210 1.912 2.635 . 0 0 "[ . 1 . 2]" 1
1164 1 100 GLN H 1 101 THR H 5.000 . 5.000 4.536 4.426 4.624 . 0 0 "[ . 1 . 2]" 1
1165 1 101 THR HA 1 102 TRP H 2.900 . 2.900 2.134 2.123 2.140 . 0 0 "[ . 1 . 2]" 1
1166 1 101 THR H 1 101 THR HB 2.900 . 2.900 2.848 2.734 2.912 0.012 15 0 "[ . 1 . 2]" 1
1167 1 101 THR HB 1 102 TRP H 5.000 . 5.000 4.188 4.121 4.278 . 0 0 "[ . 1 . 2]" 1
1168 1 101 THR H 1 101 THR MG 3.500 . 5.000 3.927 3.867 3.965 . 0 0 "[ . 1 . 2]" 1
1169 1 101 THR MG 1 102 TRP H 2.900 . 4.400 2.978 2.845 3.100 . 0 0 "[ . 1 . 2]" 1
1170 1 101 THR H 1 102 TRP H 5.000 . 5.000 4.183 4.117 4.284 . 0 0 "[ . 1 . 2]" 1
1171 1 102 TRP HA 1 102 TRP HE1 5.000 . 5.000 4.869 4.817 4.901 . 0 0 "[ . 1 . 2]" 1
1172 1 102 TRP HA 1 103 HIS H 3.500 . 3.500 2.207 2.193 2.218 . 0 0 "[ . 1 . 2]" 1
1173 1 102 TRP H 1 102 TRP QB 3.500 . 4.100 2.430 2.382 2.467 . 0 0 "[ . 1 . 2]" 1
1174 1 102 TRP QB 1 103 HIS H 5.000 . 6.000 3.546 3.498 3.560 . 0 0 "[ . 1 . 2]" 1
1175 1 102 TRP H 1 102 TRP HE1 5.000 . 5.000 5.030 5.006 5.068 0.068 13 0 "[ . 1 . 2]" 1
1176 1 103 HIS HA 1 104 PHE H 2.900 . 2.900 2.149 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
1177 1 103 HIS QB 1 104 PHE H 5.000 . 6.000 3.850 3.839 3.857 . 0 0 "[ . 1 . 2]" 1
1178 1 104 PHE HA 1 105 GLU H 2.900 . 2.900 2.345 2.279 2.404 . 0 0 "[ . 1 . 2]" 1
1179 1 104 PHE H 1 104 PHE QB 3.500 . 4.100 2.643 2.581 2.682 . 0 0 "[ . 1 . 2]" 1
1180 1 104 PHE QB 1 105 GLU H 3.500 . 4.500 2.385 2.275 2.573 . 0 0 "[ . 1 . 2]" 1
1181 1 105 GLU HA 1 106 ALA H 3.500 . 3.500 2.160 2.137 2.195 . 0 0 "[ . 1 . 2]" 1
1182 1 105 GLU QB 1 106 ALA H 5.000 . 6.000 3.927 3.752 3.992 . 0 0 "[ . 1 . 2]" 1
1183 1 106 ALA HA 1 107 ALA H 3.500 . 3.500 2.158 2.139 2.381 . 0 0 "[ . 1 . 2]" 1
1184 1 106 ALA H 1 106 ALA MB 2.900 . 4.000 2.059 2.016 2.220 . 0 0 "[ . 1 . 2]" 1
1185 1 106 ALA MB 1 107 ALA H 2.900 . 4.400 3.130 2.398 3.272 . 0 0 "[ . 1 . 2]" 1
1186 1 106 ALA MB 1 108 SER H 2.900 . 4.400 2.924 2.665 3.332 . 0 0 "[ . 1 . 2]" 1
1187 1 106 ALA MB 1 112 ARG H 3.500 . 5.000 2.491 2.275 2.868 . 0 0 "[ . 1 . 2]" 1
1188 1 106 ALA H 1 107 ALA H 5.000 . 5.000 4.540 4.488 4.644 . 0 0 "[ . 1 . 2]" 1
1189 1 107 ALA H 1 107 ALA HA 2.900 . 2.900 2.822 2.791 2.924 0.024 4 0 "[ . 1 . 2]" 1
1190 1 107 ALA HA 1 108 SER H 3.500 . 3.500 3.491 3.468 3.551 0.051 4 0 "[ . 1 . 2]" 1
1191 1 107 ALA H 1 107 ALA MB 2.900 . 4.000 2.135 2.064 2.299 . 0 0 "[ . 1 . 2]" 1
1192 1 107 ALA MB 1 108 SER H 2.900 . 4.400 2.768 2.385 2.885 . 0 0 "[ . 1 . 2]" 1
1193 1 107 ALA H 1 108 SER H 2.900 . 2.900 2.580 2.327 2.670 . 0 0 "[ . 1 . 2]" 1
1194 1 107 ALA H 1 111 GLU QB 5.000 . 6.000 3.787 3.137 4.077 . 0 0 "[ . 1 . 2]" 1
1195 1 107 ALA H 1 111 GLU QG 5.000 . 6.000 4.455 3.676 5.122 . 0 0 "[ . 1 . 2]" 1
1196 1 108 SER H 1 108 SER HA 2.900 . 2.900 2.937 2.925 2.939 0.039 3 0 "[ . 1 . 2]" 1
1197 1 108 SER HA 1 109 PHE H 5.000 . 5.000 2.261 2.183 2.367 . 0 0 "[ . 1 . 2]" 1
1198 1 108 SER HA 1 110 GLU H 5.000 . 5.000 4.236 3.957 4.697 . 0 0 "[ . 1 . 2]" 1
1199 1 108 SER HA 1 111 GLU H 5.000 . 5.000 4.447 4.214 4.572 . 0 0 "[ . 1 . 2]" 1
1200 1 108 SER QB 1 109 PHE H 2.900 . 3.900 2.976 2.635 3.415 . 0 0 "[ . 1 . 2]" 1
1201 1 108 SER QB 1 110 GLU H 5.000 . 6.000 2.914 2.666 3.249 . 0 0 "[ . 1 . 2]" 1
1202 1 108 SER QB 1 111 GLU H 5.000 . 6.000 2.236 1.989 3.470 . 0 0 "[ . 1 . 2]" 1
1203 1 108 SER H 1 109 PHE H 5.000 . 5.000 4.467 4.399 4.508 . 0 0 "[ . 1 . 2]" 1
1204 1 108 SER H 1 111 GLU QB 3.500 . 4.500 2.598 2.239 2.781 . 0 0 "[ . 1 . 2]" 1
1205 1 108 SER H 1 111 GLU H 5.000 . 5.000 4.093 3.840 4.340 . 0 0 "[ . 1 . 2]" 1
1206 1 108 SER H 1 112 ARG H 5.000 . 5.000 4.248 4.087 4.352 . 0 0 "[ . 1 . 2]" 1
1207 1 109 PHE HA 1 110 GLU H 5.000 . 5.000 3.531 3.482 3.569 . 0 0 "[ . 1 . 2]" 1
1208 1 109 PHE HA 1 112 ARG H 5.000 . 5.000 3.600 3.407 3.851 . 0 0 "[ . 1 . 2]" 1
1209 1 109 PHE H 1 109 PHE QB 2.900 . 3.500 2.232 2.043 2.460 . 0 0 "[ . 1 . 2]" 1
1210 1 109 PHE QB 1 110 GLU H 2.900 . 3.900 2.678 2.386 2.945 . 0 0 "[ . 1 . 2]" 1
1211 1 109 PHE H 1 110 GLU H 2.900 . 2.900 2.717 2.617 2.902 0.002 17 0 "[ . 1 . 2]" 1
1212 1 109 PHE H 1 112 ARG H 5.000 . 5.000 4.894 4.698 5.021 0.021 2 0 "[ . 1 . 2]" 1
1213 1 110 GLU H 1 110 GLU HA 2.900 . 2.900 2.845 2.797 2.866 . 0 0 "[ . 1 . 2]" 1
1214 1 110 GLU HA 1 111 GLU H 3.500 . 3.500 3.504 3.491 3.525 0.025 16 0 "[ . 1 . 2]" 1
1215 1 110 GLU HA 1 113 ASP H 5.000 . 5.000 3.688 3.507 3.933 . 0 0 "[ . 1 . 2]" 1
1216 1 110 GLU H 1 110 GLU QB 2.900 . 3.500 2.243 2.043 2.622 . 0 0 "[ . 1 . 2]" 1
1217 1 110 GLU QB 1 111 GLU H 5.000 . 6.000 2.779 2.496 3.494 . 0 0 "[ . 1 . 2]" 1
1218 1 110 GLU H 1 110 GLU QG 3.500 . 4.500 3.229 1.990 4.020 . 0 0 "[ . 1 . 2]" 1
1219 1 110 GLU H 1 111 GLU H 2.900 . 2.900 2.525 2.419 2.686 . 0 0 "[ . 1 . 2]" 1
1220 1 111 GLU H 1 111 GLU HA 2.900 . 2.900 2.818 2.779 2.851 . 0 0 "[ . 1 . 2]" 1
1221 1 111 GLU HA 1 112 ARG H 5.000 . 5.000 3.526 3.489 3.549 . 0 0 "[ . 1 . 2]" 1
1222 1 111 GLU HA 1 114 ALA H 5.000 . 5.000 3.320 3.153 3.523 . 0 0 "[ . 1 . 2]" 1
1223 1 111 GLU HA 1 115 TRP H 5.000 . 5.000 3.747 3.343 3.941 . 0 0 "[ . 1 . 2]" 1
1224 1 111 GLU H 1 111 GLU QB 3.500 . 4.100 2.114 2.036 2.244 . 0 0 "[ . 1 . 2]" 1
1225 1 111 GLU QB 1 112 ARG H 3.500 . 4.500 2.729 2.568 2.874 . 0 0 "[ . 1 . 2]" 1
1226 1 111 GLU QB 1 114 ALA H 5.000 . 6.000 4.939 4.751 5.136 . 0 0 "[ . 1 . 2]" 1
1227 1 111 GLU QG 1 115 TRP HE1 5.000 . 6.000 2.274 1.969 2.783 . 0 0 "[ . 1 . 2]" 1
1228 1 111 GLU H 1 112 ARG H 3.500 . 3.500 2.652 2.566 2.799 . 0 0 "[ . 1 . 2]" 1
1229 1 111 GLU H 1 114 ALA MB 5.000 . 6.500 4.619 4.446 4.856 . 0 0 "[ . 1 . 2]" 1
1230 1 112 ARG HA 1 113 ASP H 5.000 . 5.000 3.545 3.506 3.563 . 0 0 "[ . 1 . 2]" 1
1231 1 112 ARG HA 1 115 TRP H 5.000 . 5.000 3.828 3.586 4.084 . 0 0 "[ . 1 . 2]" 1
1232 1 112 ARG H 1 112 ARG QB 3.500 . 4.100 2.305 2.201 2.988 . 0 0 "[ . 1 . 2]" 1
1233 1 112 ARG QB 1 113 ASP H 5.000 . 6.000 2.890 2.352 3.510 . 0 0 "[ . 1 . 2]" 1
1234 1 112 ARG QG 1 113 ASP H 3.500 . 4.500 2.902 1.794 4.007 0.006 18 0 "[ . 1 . 2]" 1
1235 1 112 ARG H 1 113 ASP H 3.500 . 3.500 2.797 2.723 2.842 . 0 0 "[ . 1 . 2]" 1
1236 1 113 ASP HA 1 114 ALA H 5.000 . 5.000 3.543 3.479 3.564 . 0 0 "[ . 1 . 2]" 1
1237 1 113 ASP HA 1 116 VAL H 3.500 . 3.500 3.547 3.515 3.565 0.065 18 0 "[ . 1 . 2]" 1
1238 1 113 ASP HA 1 117 GLN H 5.000 . 5.000 3.955 3.864 4.089 . 0 0 "[ . 1 . 2]" 1
1239 1 113 ASP H 1 113 ASP QB 2.900 . 3.500 2.302 2.092 2.695 . 0 0 "[ . 1 . 2]" 1
1240 1 113 ASP QB 1 114 ALA H 2.900 . 3.900 2.707 2.438 3.381 . 0 0 "[ . 1 . 2]" 1
1241 1 113 ASP H 1 114 ALA H 2.900 . 2.900 2.587 2.479 2.744 . 0 0 "[ . 1 . 2]" 1
1242 1 114 ALA H 1 114 ALA HA 2.900 . 2.900 2.793 2.768 2.855 . 0 0 "[ . 1 . 2]" 1
1243 1 114 ALA HA 1 116 VAL H 5.000 . 5.000 4.796 4.687 4.874 . 0 0 "[ . 1 . 2]" 1
1244 1 114 ALA HA 1 117 GLN H 3.500 . 3.500 3.548 3.519 3.566 0.066 11 0 "[ . 1 . 2]" 1
1245 1 114 ALA H 1 114 ALA MB 2.900 . 4.000 2.156 2.074 2.236 . 0 0 "[ . 1 . 2]" 1
1246 1 114 ALA MB 1 115 TRP H 2.900 . 4.400 2.369 2.286 2.489 . 0 0 "[ . 1 . 2]" 1
1247 1 114 ALA MB 1 117 GLN H 5.000 . 6.500 4.541 4.507 4.588 . 0 0 "[ . 1 . 2]" 1
1248 1 114 ALA H 1 115 TRP H 2.900 . 2.900 2.796 2.572 2.893 . 0 0 "[ . 1 . 2]" 1
1249 1 115 TRP H 1 115 TRP HA 2.900 . 2.900 2.798 2.788 2.821 . 0 0 "[ . 1 . 2]" 1
1250 1 115 TRP HA 1 116 VAL H 5.000 . 5.000 3.582 3.572 3.588 . 0 0 "[ . 1 . 2]" 1
1251 1 115 TRP HA 1 118 ALA H 3.500 . 3.500 3.133 3.084 3.266 . 0 0 "[ . 1 . 2]" 1
1252 1 115 TRP HA 1 119 ILE H 5.000 . 5.000 3.864 3.717 4.078 . 0 0 "[ . 1 . 2]" 1
1253 1 115 TRP H 1 115 TRP QB 2.900 . 3.500 2.188 2.163 2.203 . 0 0 "[ . 1 . 2]" 1
1254 1 115 TRP QB 1 116 VAL H 3.500 . 4.500 2.431 2.380 2.512 . 0 0 "[ . 1 . 2]" 1
1255 1 115 TRP H 1 115 TRP HE1 5.000 . 5.000 5.065 5.053 5.090 0.090 8 0 "[ . 1 . 2]" 1
1256 1 115 TRP H 1 116 VAL HB 5.000 . 5.000 4.947 4.863 5.012 0.012 8 0 "[ . 1 . 2]" 1
1257 1 115 TRP H 1 116 VAL H 3.500 . 3.500 2.845 2.740 2.904 . 0 0 "[ . 1 . 2]" 1
1258 1 116 VAL HA 1 117 GLN H 5.000 . 5.000 3.515 3.500 3.526 . 0 0 "[ . 1 . 2]" 1
1259 1 116 VAL HA 1 118 ALA H 5.000 . 5.000 4.246 4.183 4.385 . 0 0 "[ . 1 . 2]" 1
1260 1 116 VAL HA 1 119 ILE H 5.000 . 5.000 3.659 3.414 3.798 . 0 0 "[ . 1 . 2]" 1
1261 1 116 VAL H 1 116 VAL HB 2.900 . 2.900 2.468 2.270 2.590 . 0 0 "[ . 1 . 2]" 1
1262 1 116 VAL H 1 116 VAL QG 2.900 . 4.600 2.257 2.008 2.651 . 0 0 "[ . 1 . 2]" 1
1263 1 116 VAL QG 1 117 GLN H 3.500 . 5.900 3.066 1.963 3.344 . 0 0 "[ . 1 . 2]" 1
1264 1 116 VAL QG 1 118 ALA H 5.000 . 7.400 4.416 3.963 4.607 . 0 0 "[ . 1 . 2]" 1
1265 1 116 VAL H 1 117 GLN H 2.900 . 2.900 2.710 2.671 2.752 . 0 0 "[ . 1 . 2]" 1
1266 1 116 VAL H 1 118 ALA H 5.000 . 5.000 3.956 3.921 4.062 . 0 0 "[ . 1 . 2]" 1
1267 1 116 VAL H 1 119 ILE MD 5.000 . 6.500 4.074 3.829 4.736 . 0 0 "[ . 1 . 2]" 1
1268 1 117 GLN HA 1 117 GLN QE 5.000 . 6.000 3.696 2.332 4.724 . 0 0 "[ . 1 . 2]" 1
1269 1 117 GLN H 1 117 GLN HA 2.900 . 2.900 2.880 2.871 2.893 . 0 0 "[ . 1 . 2]" 1
1270 1 117 GLN HA 1 120 GLU H 3.500 . 3.500 3.524 3.514 3.547 0.047 15 0 "[ . 1 . 2]" 1
1271 1 117 GLN H 1 117 GLN QB 2.900 . 3.500 2.195 2.086 2.324 . 0 0 "[ . 1 . 2]" 1
1272 1 117 GLN QB 1 118 ALA H 2.900 . 3.900 2.865 2.773 2.971 . 0 0 "[ . 1 . 2]" 1
1273 1 117 GLN H 1 117 GLN QE 5.000 . 6.000 4.642 3.311 5.354 . 0 0 "[ . 1 . 2]" 1
1274 1 117 GLN H 1 117 GLN QG 3.500 . 4.500 3.574 2.670 4.066 . 0 0 "[ . 1 . 2]" 1
1275 1 117 GLN QG 1 118 ALA H 5.000 . 6.000 4.367 3.918 4.642 . 0 0 "[ . 1 . 2]" 1
1276 1 117 GLN H 1 118 ALA MB 5.000 . 6.500 4.072 4.021 4.116 . 0 0 "[ . 1 . 2]" 1
1277 1 117 GLN H 1 118 ALA H 2.900 . 2.900 2.369 2.313 2.418 . 0 0 "[ . 1 . 2]" 1
1278 1 118 ALA H 1 118 ALA HA 2.900 . 2.900 2.837 2.823 2.854 . 0 0 "[ . 1 . 2]" 1
1279 1 118 ALA HA 1 119 ILE H 3.500 . 3.500 3.530 3.511 3.543 0.043 17 0 "[ . 1 . 2]" 1
1280 1 118 ALA HA 1 121 SER H 3.500 . 3.500 3.502 3.400 3.531 0.031 15 0 "[ . 1 . 2]" 1
1281 1 118 ALA H 1 118 ALA MB 2.900 . 4.000 2.229 2.076 2.244 . 0 0 "[ . 1 . 2]" 1
1282 1 118 ALA MB 1 119 ILE H 3.500 . 5.000 2.458 2.285 2.659 . 0 0 "[ . 1 . 2]" 1
1283 1 118 ALA MB 1 121 SER H 5.000 . 6.500 4.526 4.463 4.602 . 0 0 "[ . 1 . 2]" 1
1284 1 118 ALA H 1 119 ILE MD 3.500 . 5.000 3.663 3.543 3.888 . 0 0 "[ . 1 . 2]" 1
1285 1 118 ALA H 1 119 ILE H 2.900 . 2.900 2.585 2.482 2.675 . 0 0 "[ . 1 . 2]" 1
1286 1 118 ALA H 1 120 GLU H 5.000 . 5.000 4.125 4.005 4.311 . 0 0 "[ . 1 . 2]" 1
1287 1 119 ILE HA 1 120 GLU H 5.000 . 5.000 3.571 3.563 3.583 . 0 0 "[ . 1 . 2]" 1
1288 1 119 ILE HA 1 121 SER H 5.000 . 5.000 4.252 4.180 4.324 . 0 0 "[ . 1 . 2]" 1
1289 1 119 ILE HA 1 122 GLN H 3.500 . 3.500 3.518 3.504 3.541 0.041 14 0 "[ . 1 . 2]" 1
1290 1 119 ILE H 1 119 ILE HB 2.900 . 2.900 2.445 2.279 2.897 . 0 0 "[ . 1 . 2]" 1
1291 1 119 ILE H 1 119 ILE MD 2.900 . 4.400 2.140 1.949 2.434 . 0 0 "[ . 1 . 2]" 1
1292 1 119 ILE MD 1 120 GLU H 5.000 . 6.500 4.034 3.867 4.321 . 0 0 "[ . 1 . 2]" 1
1293 1 119 ILE H 1 119 ILE QG 3.500 . 4.500 2.978 1.979 3.342 . 0 0 "[ . 1 . 2]" 1
1294 1 119 ILE H 1 119 ILE MG 3.500 . 5.000 3.721 3.675 3.760 . 0 0 "[ . 1 . 2]" 1
1295 1 119 ILE MG 1 120 GLU H 5.000 . 6.500 3.189 2.878 3.719 . 0 0 "[ . 1 . 2]" 1
1296 1 119 ILE MG 1 121 SER H 5.000 . 6.500 4.777 4.609 5.114 . 0 0 "[ . 1 . 2]" 1
1297 1 119 ILE MG 1 122 GLN H 5.000 . 6.500 4.707 4.621 4.778 . 0 0 "[ . 1 . 2]" 1
1298 1 119 ILE H 1 120 GLU H 3.500 . 3.500 2.688 2.639 2.733 . 0 0 "[ . 1 . 2]" 1
1299 1 120 GLU H 1 120 GLU HA 2.900 . 2.900 2.835 2.816 2.848 . 0 0 "[ . 1 . 2]" 1
1300 1 120 GLU HA 1 123 ILE H 3.500 . 3.500 3.370 3.251 3.501 0.001 18 0 "[ . 1 . 2]" 1
1301 1 120 GLU HA 1 124 LEU H 5.000 . 5.000 4.115 3.901 4.265 . 0 0 "[ . 1 . 2]" 1
1302 1 120 GLU H 1 120 GLU QB 2.900 . 3.500 2.271 2.075 2.544 . 0 0 "[ . 1 . 2]" 1
1303 1 120 GLU QB 1 121 SER H 3.500 . 4.500 2.955 2.738 3.534 . 0 0 "[ . 1 . 2]" 1
1304 1 120 GLU H 1 120 GLU QG 3.500 . 4.500 2.673 2.033 3.237 . 0 0 "[ . 1 . 2]" 1
1305 1 120 GLU QG 1 121 SER H 5.000 . 6.000 3.910 1.960 4.558 . 0 0 "[ . 1 . 2]" 1
1306 1 120 GLU H 1 121 SER H 2.900 . 2.900 2.566 2.533 2.603 . 0 0 "[ . 1 . 2]" 1
1307 1 120 GLU H 1 123 ILE MD 5.000 . 6.500 3.553 3.357 3.727 . 0 0 "[ . 1 . 2]" 1
1308 1 121 SER H 1 121 SER HA 2.900 . 2.900 2.832 2.817 2.848 . 0 0 "[ . 1 . 2]" 1
1309 1 121 SER HA 1 122 GLN QE 5.000 . 6.000 5.104 4.767 5.398 . 0 0 "[ . 1 . 2]" 1
1310 1 121 SER HA 1 122 GLN H 3.500 . 3.500 3.535 3.518 3.550 0.050 2 0 "[ . 1 . 2]" 1
1311 1 121 SER HA 1 124 LEU H 5.000 . 5.000 3.381 3.259 3.487 . 0 0 "[ . 1 . 2]" 1
1312 1 121 SER H 1 121 SER QB 2.900 . 3.500 2.272 2.215 2.614 . 0 0 "[ . 1 . 2]" 1
1313 1 121 SER QB 1 122 GLN H 2.900 . 3.900 2.658 2.500 3.439 . 0 0 "[ . 1 . 2]" 1
1314 1 121 SER H 1 122 GLN H 2.900 . 2.900 2.612 2.537 2.701 . 0 0 "[ . 1 . 2]" 1
1315 1 122 GLN HA 1 122 GLN QE 5.000 . 6.000 2.631 1.978 3.677 . 0 0 "[ . 1 . 2]" 1
1316 1 122 GLN H 1 122 GLN HA 2.900 . 2.900 2.828 2.808 2.847 . 0 0 "[ . 1 . 2]" 1
1317 1 122 GLN HA 1 123 ILE H 5.000 . 5.000 3.498 3.487 3.525 . 0 0 "[ . 1 . 2]" 1
1318 1 122 GLN HA 1 125 ALA H 3.500 . 3.500 3.506 3.441 3.519 0.019 5 0 "[ . 1 . 2]" 1
1319 1 122 GLN QB 1 122 GLN QE 3.500 . 5.500 3.265 2.168 3.601 . 0 0 "[ . 1 . 2]" 1
1320 1 122 GLN QB 1 123 ILE H 5.000 . 6.000 2.791 2.598 2.885 . 0 0 "[ . 1 . 2]" 1
1321 1 122 GLN H 1 122 GLN QG 3.500 . 4.500 3.201 2.301 3.726 . 0 0 "[ . 1 . 2]" 1
1322 1 122 GLN H 1 123 ILE HB 5.000 . 5.000 4.863 4.796 4.986 . 0 0 "[ . 1 . 2]" 1
1323 1 122 GLN H 1 123 ILE QG 5.000 . 6.000 4.074 3.911 4.217 . 0 0 "[ . 1 . 2]" 1
1324 1 122 GLN H 1 123 ILE H 2.900 . 2.900 2.567 2.496 2.652 . 0 0 "[ . 1 . 2]" 1
1325 1 122 GLN H 1 125 ALA MB 5.000 . 6.500 4.868 4.754 4.962 . 0 0 "[ . 1 . 2]" 1
1326 1 123 ILE HA 1 124 LEU H 3.500 . 3.500 3.514 3.500 3.536 0.036 8 0 "[ . 1 . 2]" 1
1327 1 123 ILE HA 1 125 ALA H 5.000 . 5.000 4.290 4.193 4.452 . 0 0 "[ . 1 . 2]" 1
1328 1 123 ILE HA 1 126 SER H 3.500 . 3.500 3.346 3.220 3.409 . 0 0 "[ . 1 . 2]" 1
1329 1 123 ILE H 1 123 ILE HB 3.500 . 3.500 2.536 2.459 2.611 . 0 0 "[ . 1 . 2]" 1
1330 1 123 ILE HB 1 124 LEU H 3.500 . 3.500 2.712 2.541 2.808 . 0 0 "[ . 1 . 2]" 1
1331 1 123 ILE H 1 123 ILE MD 5.000 . 6.500 3.188 3.108 3.280 . 0 0 "[ . 1 . 2]" 1
1332 1 123 ILE MD 1 124 LEU H 5.000 . 6.500 4.348 4.236 4.469 . 0 0 "[ . 1 . 2]" 1
1333 1 123 ILE H 1 123 ILE QG 3.500 . 4.500 2.160 1.983 2.306 . 0 0 "[ . 1 . 2]" 1
1334 1 123 ILE H 1 123 ILE MG 3.500 . 5.000 3.768 3.758 3.777 . 0 0 "[ . 1 . 2]" 1
1335 1 123 ILE MG 1 124 LEU H 3.500 . 5.000 3.586 3.418 3.722 . 0 0 "[ . 1 . 2]" 1
1336 1 123 ILE MG 1 126 SER H 5.000 . 6.500 4.529 4.310 4.632 . 0 0 "[ . 1 . 2]" 1
1337 1 123 ILE H 1 124 LEU H 3.500 . 3.500 2.516 2.470 2.611 . 0 0 "[ . 1 . 2]" 1
1338 1 123 ILE H 1 125 ALA H 5.000 . 5.000 4.002 3.936 4.121 . 0 0 "[ . 1 . 2]" 1
1339 1 124 LEU H 1 124 LEU HA 2.900 . 2.900 2.835 2.805 2.839 . 0 0 "[ . 1 . 2]" 1
1340 1 124 LEU HA 1 126 SER H 5.000 . 5.000 4.286 4.194 4.413 . 0 0 "[ . 1 . 2]" 1
1341 1 124 LEU HA 1 127 LEU H 3.500 . 3.500 3.508 3.503 3.515 0.015 18 0 "[ . 1 . 2]" 1
1342 1 124 LEU H 1 124 LEU QB 2.900 . 3.500 2.154 2.044 2.249 . 0 0 "[ . 1 . 2]" 1
1343 1 124 LEU QB 1 125 ALA H 2.900 . 3.900 2.707 2.542 2.830 . 0 0 "[ . 1 . 2]" 1
1344 1 124 LEU QB 1 126 SER H 5.000 . 6.000 4.624 4.528 4.734 . 0 0 "[ . 1 . 2]" 1
1345 1 124 LEU QD 1 125 ALA H 3.500 . 5.900 3.919 3.364 4.204 . 0 0 "[ . 1 . 2]" 1
1346 1 124 LEU H 1 125 ALA MB 5.000 . 6.500 4.240 4.194 4.300 . 0 0 "[ . 1 . 2]" 1
1347 1 124 LEU H 1 125 ALA H 2.900 . 2.900 2.566 2.542 2.659 . 0 0 "[ . 1 . 2]" 1
1348 1 125 ALA H 1 125 ALA HA 2.900 . 2.900 2.868 2.860 2.870 . 0 0 "[ . 1 . 2]" 1
1349 1 125 ALA HA 1 126 SER H 3.500 . 3.500 3.493 3.474 3.514 0.014 1 0 "[ . 1 . 2]" 1
1350 1 125 ALA H 1 125 ALA MB 2.900 . 4.000 2.164 2.100 2.251 . 0 0 "[ . 1 . 2]" 1
1351 1 125 ALA MB 1 126 SER H 2.900 . 4.400 2.796 2.690 2.892 . 0 0 "[ . 1 . 2]" 1
1352 1 125 ALA MB 1 127 LEU H 5.000 . 6.500 4.529 4.434 4.643 . 0 0 "[ . 1 . 2]" 1
1353 1 125 ALA MB 1 128 GLN H 5.000 . 6.500 4.927 4.708 5.464 . 0 0 "[ . 1 . 2]" 1
1354 1 125 ALA H 1 126 SER QB 5.000 . 6.000 4.305 4.197 4.627 . 0 0 "[ . 1 . 2]" 1
1355 1 125 ALA H 1 126 SER H 2.900 . 2.900 2.447 2.435 2.480 . 0 0 "[ . 1 . 2]" 1
1356 1 126 SER H 1 126 SER HA 2.900 . 2.900 2.878 2.847 2.898 . 0 0 "[ . 1 . 2]" 1
1357 1 126 SER H 1 126 SER QB 2.900 . 3.500 2.248 2.141 2.557 . 0 0 "[ . 1 . 2]" 1
1358 1 126 SER QB 1 127 LEU H 2.900 . 3.900 2.871 2.771 3.548 . 0 0 "[ . 1 . 2]" 1
1359 1 126 SER H 1 127 LEU QB 5.000 . 6.000 4.111 3.998 4.378 . 0 0 "[ . 1 . 2]" 1
1360 1 126 SER H 1 127 LEU H 2.900 . 2.900 2.405 2.342 2.503 . 0 0 "[ . 1 . 2]" 1
1361 1 127 LEU H 1 127 LEU HA 2.900 . 2.900 2.822 2.791 2.862 . 0 0 "[ . 1 . 2]" 1
1362 1 127 LEU HA 1 128 GLN H 3.500 . 3.500 3.517 3.487 3.550 0.050 5 0 "[ . 1 . 2]" 1
1363 1 127 LEU H 1 127 LEU QB 2.900 . 3.500 2.084 2.029 2.240 . 0 0 "[ . 1 . 2]" 1
1364 1 127 LEU QB 1 128 GLN H 2.900 . 3.900 2.633 2.039 2.891 . 0 0 "[ . 1 . 2]" 1
1365 1 127 LEU H 1 127 LEU QD 3.500 . 5.200 3.197 2.361 3.714 . 0 0 "[ . 1 . 2]" 1
1366 1 127 LEU QD 1 128 GLN H 2.900 . 5.300 3.906 3.431 4.047 . 0 0 "[ . 1 . 2]" 1
1367 1 127 LEU H 1 128 GLN H 2.900 . 2.900 2.673 2.478 2.905 0.005 5 0 "[ . 1 . 2]" 1
1368 1 128 GLN H 1 128 GLN HA 2.900 . 2.900 2.872 2.797 2.936 0.036 10 0 "[ . 1 . 2]" 1
1369 1 128 GLN H 1 128 GLN QB 2.900 . 3.500 2.673 2.301 3.185 . 0 0 "[ . 1 . 2]" 1
1370 1 128 GLN H 1 128 GLN QG 2.900 . 3.900 2.114 1.963 2.512 . 0 0 "[ . 1 . 2]" 1
1371 1 6 LYS QB 1 115 TRP HD1 3.500 . 4.500 4.070 4.054 4.094 . 0 0 "[ . 1 . 2]" 1
1372 1 6 LYS QB 1 115 TRP HZ2 2.900 . 3.900 3.123 3.028 3.144 . 0 0 "[ . 1 . 2]" 1
1373 1 6 LYS QD 1 115 TRP HD1 5.000 . 6.000 4.825 4.757 5.416 . 0 0 "[ . 1 . 2]" 1
1374 1 6 LYS QE 1 115 TRP HD1 3.500 . 4.500 3.907 3.433 4.034 . 0 0 "[ . 1 . 2]" 1
1375 1 6 LYS QG 1 115 TRP HD1 5.000 . 6.000 2.924 2.823 4.168 . 0 0 "[ . 1 . 2]" 1
1376 1 6 LYS QG 1 115 TRP HE3 5.000 . 6.000 4.480 3.417 4.577 . 0 0 "[ . 1 . 2]" 1
1377 1 6 LYS QG 1 115 TRP HH2 5.000 . 6.000 5.123 4.215 5.203 . 0 0 "[ . 1 . 2]" 1
1378 1 6 LYS QG 1 115 TRP HZ2 3.500 . 4.500 3.843 3.768 4.079 . 0 0 "[ . 1 . 2]" 1
1379 1 6 LYS QG 1 115 TRP HZ3 5.000 . 6.000 5.369 3.967 5.451 . 0 0 "[ . 1 . 2]" 1
1380 1 7 GLN HA 1 115 TRP HH2 3.500 . 3.500 2.924 2.882 2.948 . 0 0 "[ . 1 . 2]" 1
1381 1 7 GLN HA 1 115 TRP HZ2 2.900 . 2.900 2.526 2.475 2.763 . 0 0 "[ . 1 . 2]" 1
1382 1 7 GLN HA 1 115 TRP HZ3 5.000 . 5.000 5.136 5.121 5.159 0.159 2 0 "[ . 1 . 2]" 1
1383 1 7 GLN QB 1 26 TYR QD 5.000 . 8.000 5.502 5.005 6.180 . 0 0 "[ . 1 . 2]" 1
1384 1 7 GLN QB 1 26 TYR QE 3.500 . 6.500 4.168 3.633 4.946 . 0 0 "[ . 1 . 2]" 1
1385 1 7 GLN QG 1 26 TYR QD 5.000 . 8.000 5.506 3.811 6.499 . 0 0 "[ . 1 . 2]" 1
1386 1 7 GLN QG 1 26 TYR QE 5.000 . 8.000 4.094 2.105 5.085 . 0 0 "[ . 1 . 2]" 1
1387 1 8 SER HA 1 26 TYR QD 5.000 . 7.000 4.593 4.140 5.119 . 0 0 "[ . 1 . 2]" 1
1388 1 8 SER HA 1 26 TYR QE 3.500 . 5.500 4.076 3.611 4.593 . 0 0 "[ . 1 . 2]" 1
1389 1 8 SER HA 1 9 PHE QD 5.000 . 7.000 3.766 3.421 4.226 . 0 0 "[ . 1 . 2]" 1
1390 1 8 SER H 1 26 TYR QD 5.000 . 7.000 5.156 4.584 5.394 . 0 0 "[ . 1 . 2]" 1
1391 1 9 PHE HA 1 26 TYR QD 3.500 . 5.500 3.784 3.496 4.327 . 0 0 "[ . 1 . 2]" 1
1392 1 9 PHE HA 1 26 TYR QE 5.000 . 7.000 5.353 5.124 5.538 . 0 0 "[ . 1 . 2]" 1
1393 1 9 PHE HA 1 9 PHE QD 2.900 . 4.900 2.282 2.200 2.434 . 0 0 "[ . 1 . 2]" 1
1394 1 9 PHE QB 1 9 PHE QD 2.900 . 5.900 2.200 2.146 2.240 . 0 0 "[ . 1 . 2]" 1
1395 1 9 PHE QD 1 107 ALA MB 2.900 . 6.400 4.521 4.363 4.724 . 0 0 "[ . 1 . 2]" 1
1396 1 9 PHE QD 1 24 LYS QB 3.500 . 6.500 5.165 4.985 5.349 . 0 0 "[ . 1 . 2]" 1
1397 1 9 PHE QD 1 24 LYS QD 2.900 . 5.900 3.514 2.916 4.655 . 0 0 "[ . 1 . 2]" 1
1398 1 9 PHE QD 1 24 LYS QE 3.500 . 6.500 3.455 2.302 4.612 . 0 0 "[ . 1 . 2]" 1
1399 1 9 PHE QD 1 25 LYS HA 5.000 . 7.000 5.897 5.553 6.205 . 0 0 "[ . 1 . 2]" 1
1400 1 9 PHE QD 1 25 LYS H 5.000 . 7.000 5.439 5.201 5.701 . 0 0 "[ . 1 . 2]" 1
1401 1 9 PHE QD 1 26 TYR HA 2.900 . 4.900 2.865 2.653 3.118 . 0 0 "[ . 1 . 2]" 1
1402 1 9 PHE QD 1 26 TYR QB 2.900 . 5.900 3.277 2.997 3.542 . 0 0 "[ . 1 . 2]" 1
1403 1 9 PHE QD 1 26 TYR QD 2.900 . 6.900 2.034 1.916 2.959 . 0 0 "[ . 1 . 2]" 1
1404 1 9 PHE QD 1 26 TYR QE 2.900 . 6.900 3.590 3.161 3.904 . 0 0 "[ . 1 . 2]" 1
1405 1 9 PHE QD 1 26 TYR H 5.000 . 7.000 5.351 5.160 5.662 . 0 0 "[ . 1 . 2]" 1
1406 1 9 PHE QD 1 27 VAL H 5.000 . 7.000 4.251 3.974 4.552 . 0 0 "[ . 1 . 2]" 1
1407 1 9 PHE QD 1 41 ILE MD 2.900 . 6.400 2.802 2.569 3.009 . 0 0 "[ . 1 . 2]" 1
1408 1 9 PHE QD 1 41 ILE HG13 2.900 . 4.900 3.315 3.135 3.501 . 0 0 "[ . 1 . 2]" 1
1409 1 9 PHE QD 1 41 ILE HG12 3.500 . 5.500 4.145 3.940 4.340 . 0 0 "[ . 1 . 2]" 1
1410 1 9 PHE QE 1 41 ILE MD 2.900 . 6.400 2.652 2.394 2.847 . 0 0 "[ . 1 . 2]" 1
1411 1 9 PHE QE 1 41 ILE HG13 3.500 . 5.500 2.159 1.979 2.463 . 0 0 "[ . 1 . 2]" 1
1412 1 9 PHE QE 1 41 ILE HG12 3.500 . 5.500 2.423 2.171 2.624 . 0 0 "[ . 1 . 2]" 1
1413 1 9 PHE QE 1 41 ILE MG 3.500 . 7.000 3.656 3.500 3.861 . 0 0 "[ . 1 . 2]" 1
1414 1 10 LEU QD 1 102 TRP HE3 5.000 . 7.400 5.267 5.136 5.325 . 0 0 "[ . 1 . 2]" 1
1415 1 10 LEU QD 1 104 PHE QD 3.500 . 7.900 2.362 2.245 2.508 . 0 0 "[ . 1 . 2]" 1
1416 1 10 LEU QD 1 104 PHE QE 3.500 . 7.900 3.622 3.488 3.684 . 0 0 "[ . 1 . 2]" 1
1417 1 10 LEU QD 1 115 TRP HD1 3.500 . 5.900 3.724 3.507 3.897 . 0 0 "[ . 1 . 2]" 1
1418 1 10 LEU QD 1 115 TRP HE3 5.000 . 7.400 3.813 3.680 3.973 . 0 0 "[ . 1 . 2]" 1
1419 1 10 LEU QD 1 115 TRP HZ2 3.500 . 5.900 2.785 2.489 2.997 . 0 0 "[ . 1 . 2]" 1
1420 1 10 LEU QD 1 115 TRP HZ3 5.000 . 7.400 4.058 3.882 4.189 . 0 0 "[ . 1 . 2]" 1
1421 1 10 LEU QD 1 92 PHE QD 5.000 . 9.400 4.069 3.880 4.384 . 0 0 "[ . 1 . 2]" 1
1422 1 10 LEU QD 1 92 PHE HZ 2.900 . 5.300 2.065 1.976 2.277 . 0 0 "[ . 1 . 2]" 1
1423 1 10 LEU HG 1 104 PHE QD 3.500 . 5.500 4.897 4.643 5.039 . 0 0 "[ . 1 . 2]" 1
1424 1 11 LEU QB 1 22 TRP HD1 5.000 . 6.000 5.016 4.888 5.151 . 0 0 "[ . 1 . 2]" 1
1425 1 11 LEU QB 1 22 TRP HE3 3.500 . 4.500 2.157 2.002 2.350 . 0 0 "[ . 1 . 2]" 1
1426 1 11 LEU QD 1 22 TRP HD1 3.500 . 5.900 3.832 3.783 3.894 . 0 0 "[ . 1 . 2]" 1
1427 1 11 LEU QD 1 22 TRP HE3 2.900 . 5.300 3.689 3.545 3.816 . 0 0 "[ . 1 . 2]" 1
1428 1 11 LEU QD 1 22 TRP HZ3 5.000 . 7.400 5.189 5.017 5.355 . 0 0 "[ . 1 . 2]" 1
1429 1 11 LEU HG 1 22 TRP HE3 5.000 . 5.000 4.025 3.873 4.144 . 0 0 "[ . 1 . 2]" 1
1430 1 12 LYS HA 1 104 PHE QD 3.500 . 5.500 3.044 2.726 3.452 . 0 0 "[ . 1 . 2]" 1
1431 1 12 LYS HA 1 104 PHE QE 5.000 . 7.000 4.590 4.281 4.978 . 0 0 "[ . 1 . 2]" 1
1432 1 12 LYS HA 1 22 TRP HE3 5.000 . 5.000 2.755 2.561 2.962 . 0 0 "[ . 1 . 2]" 1
1433 1 12 LYS HA 1 22 TRP HZ3 5.000 . 5.000 3.771 3.578 4.019 . 0 0 "[ . 1 . 2]" 1
1434 1 12 LYS QB 1 104 PHE QD 3.500 . 6.500 2.954 2.720 3.429 . 0 0 "[ . 1 . 2]" 1
1435 1 12 LYS QB 1 104 PHE QE 3.500 . 6.500 3.326 3.009 3.802 . 0 0 "[ . 1 . 2]" 1
1436 1 12 LYS QD 1 104 PHE QD 5.000 . 8.000 2.906 1.998 4.477 . 0 0 "[ . 1 . 2]" 1
1437 1 12 LYS QD 1 104 PHE QE 5.000 . 8.000 2.800 2.074 4.190 . 0 0 "[ . 1 . 2]" 1
1438 1 12 LYS QD 1 37 TYR QD 5.000 . 8.000 4.505 3.935 5.599 . 0 0 "[ . 1 . 2]" 1
1439 1 12 LYS QD 1 37 TYR QE 5.000 . 8.000 3.162 2.708 4.262 . 0 0 "[ . 1 . 2]" 1
1440 1 12 LYS QE 1 22 TRP HH2 5.000 . 6.000 5.360 5.237 5.437 . 0 0 "[ . 1 . 2]" 1
1441 1 12 LYS QE 1 37 TYR QD 5.000 . 8.000 5.841 5.690 6.015 . 0 0 "[ . 1 . 2]" 1
1442 1 12 LYS QE 1 37 TYR QE 3.500 . 6.500 4.816 4.611 5.371 . 0 0 "[ . 1 . 2]" 1
1443 1 12 LYS QG 1 104 PHE QD 5.000 . 8.000 3.450 1.894 4.400 . 0 0 "[ . 1 . 2]" 1
1444 1 12 LYS QG 1 104 PHE QE 5.000 . 8.000 3.231 1.972 4.177 . 0 0 "[ . 1 . 2]" 1
1445 1 12 LYS QG 1 37 TYR QE 5.000 . 8.000 2.787 2.168 3.447 . 0 0 "[ . 1 . 2]" 1
1446 1 13 ARG HA 1 22 TRP HD1 5.000 . 5.000 3.908 3.680 4.251 . 0 0 "[ . 1 . 2]" 1
1447 1 13 ARG QB 1 103 HIS HD2 5.000 . 6.000 4.242 3.064 4.762 . 0 0 "[ . 1 . 2]" 1
1448 1 13 ARG QB 1 22 TRP HH2 5.000 . 6.000 4.301 3.171 5.300 . 0 0 "[ . 1 . 2]" 1
1449 1 13 ARG QB 1 22 TRP HZ2 5.000 . 6.000 3.849 3.296 5.027 . 0 0 "[ . 1 . 2]" 1
1450 1 13 ARG QB 1 22 TRP HZ3 5.000 . 6.000 4.430 3.222 5.341 . 0 0 "[ . 1 . 2]" 1
1451 1 13 ARG QD 1 103 HIS HD2 5.000 . 6.000 2.228 1.919 2.699 . 0 0 "[ . 1 . 2]" 1
1452 1 13 ARG QD 1 22 TRP HH2 5.000 . 6.000 3.725 2.681 4.179 . 0 0 "[ . 1 . 2]" 1
1453 1 13 ARG QD 1 22 TRP HZ2 3.500 . 4.500 3.425 2.775 4.114 . 0 0 "[ . 1 . 2]" 1
1454 1 13 ARG QD 1 22 TRP HZ3 5.000 . 6.000 4.726 3.651 5.202 . 0 0 "[ . 1 . 2]" 1
1455 1 13 ARG QG 1 103 HIS HD2 5.000 . 6.000 3.692 3.087 4.588 . 0 0 "[ . 1 . 2]" 1
1456 1 13 ARG QG 1 22 TRP HH2 5.000 . 6.000 3.977 3.149 5.206 . 0 0 "[ . 1 . 2]" 1
1457 1 13 ARG QG 1 22 TRP HZ2 5.000 . 6.000 3.927 2.954 5.157 . 0 0 "[ . 1 . 2]" 1
1458 1 13 ARG QG 1 22 TRP HZ3 5.000 . 6.000 4.033 3.147 5.318 . 0 0 "[ . 1 . 2]" 1
1459 1 20 LYS HA 1 22 TRP HD1 5.000 . 5.000 5.027 5.011 5.043 0.043 15 0 "[ . 1 . 2]" 1
1460 1 20 LYS QD 1 22 TRP HD1 3.500 . 4.500 3.999 3.665 4.096 . 0 0 "[ . 1 . 2]" 1
1461 1 20 LYS QE 1 103 HIS HD2 5.000 . 6.000 4.657 3.532 5.250 . 0 0 "[ . 1 . 2]" 1
1462 1 20 LYS QG 1 103 HIS HD2 5.000 . 6.000 5.365 5.262 5.407 . 0 0 "[ . 1 . 2]" 1
1463 1 21 GLU HA 1 22 TRP HD1 2.900 . 2.900 2.929 2.909 2.937 0.037 7 0 "[ . 1 . 2]" 1
1464 1 22 TRP HE3 1 104 PHE HA 5.000 . 5.000 3.439 3.366 3.550 . 0 0 "[ . 1 . 2]" 1
1465 1 22 TRP HE3 1 91 GLU QG 5.000 . 6.000 5.097 4.630 5.414 . 0 0 "[ . 1 . 2]" 1
1466 1 22 TRP HH2 1 103 HIS QB 5.000 . 6.000 4.309 3.934 4.506 . 0 0 "[ . 1 . 2]" 1
1467 1 22 TRP HH2 1 103 HIS HD2 5.000 . 5.000 3.632 3.421 3.808 . 0 0 "[ . 1 . 2]" 1
1468 1 22 TRP HH2 1 104 PHE HA 5.000 . 5.000 5.062 5.041 5.088 0.088 14 0 "[ . 1 . 2]" 1
1469 1 22 TRP HH2 1 91 GLU QB 5.000 . 6.000 2.415 2.217 2.654 . 0 0 "[ . 1 . 2]" 1
1470 1 22 TRP HH2 1 91 GLU QG 5.000 . 6.000 3.137 2.793 3.488 . 0 0 "[ . 1 . 2]" 1
1471 1 22 TRP HZ2 1 91 GLU QB 3.500 . 4.500 3.926 3.780 4.044 . 0 0 "[ . 1 . 2]" 1
1472 1 22 TRP HZ2 1 91 GLU QG 3.500 . 4.500 3.450 3.041 4.013 . 0 0 "[ . 1 . 2]" 1
1473 1 22 TRP HZ3 1 103 HIS HE1 3.500 . 3.500 3.607 3.591 3.642 0.142 13 0 "[ . 1 . 2]" 1
1474 1 22 TRP HZ3 1 104 PHE HA 3.500 . 3.500 2.769 2.730 2.806 . 0 0 "[ . 1 . 2]" 1
1475 1 22 TRP HZ3 1 91 GLU QB 5.000 . 6.000 3.295 2.871 3.898 . 0 0 "[ . 1 . 2]" 1
1476 1 22 TRP HZ3 1 91 GLU QG 5.000 . 6.000 4.082 3.662 4.338 . 0 0 "[ . 1 . 2]" 1
1477 1 25 LYS HA 1 37 TYR QD 5.000 . 7.000 5.150 4.878 5.320 . 0 0 "[ . 1 . 2]" 1
1478 1 25 LYS QB 1 37 TYR QD 5.000 . 8.000 3.051 2.680 3.516 . 0 0 "[ . 1 . 2]" 1
1479 1 25 LYS QD 1 37 TYR QD 3.500 . 6.500 3.240 2.066 4.276 . 0 0 "[ . 1 . 2]" 1
1480 1 25 LYS QD 1 37 TYR QE 5.000 . 8.000 2.929 1.894 4.103 . 0 0 "[ . 1 . 2]" 1
1481 1 25 LYS QE 1 37 TYR QD 5.000 . 8.000 3.680 2.347 4.425 . 0 0 "[ . 1 . 2]" 1
1482 1 25 LYS QE 1 37 TYR QE 3.500 . 6.500 2.567 1.906 3.524 . 0 0 "[ . 1 . 2]" 1
1483 1 25 LYS QG 1 37 TYR QD 3.500 . 6.500 2.836 1.956 4.183 . 0 0 "[ . 1 . 2]" 1
1484 1 25 LYS QG 1 37 TYR QE 5.000 . 8.000 3.179 2.523 3.991 . 0 0 "[ . 1 . 2]" 1
1485 1 26 TYR HA 1 26 TYR QD 3.500 . 5.500 3.030 2.991 3.078 . 0 0 "[ . 1 . 2]" 1
1486 1 26 TYR HA 1 26 TYR QE 3.500 . 5.500 4.704 4.650 4.750 . 0 0 "[ . 1 . 2]" 1
1487 1 26 TYR QD 1 38 HIS QB 5.000 . 8.000 3.622 3.429 4.132 . 0 0 "[ . 1 . 2]" 1
1488 1 26 TYR QD 1 41 ILE HB 5.000 . 7.000 4.751 4.205 4.852 . 0 0 "[ . 1 . 2]" 1
1489 1 26 TYR QD 1 41 ILE MD 3.500 . 7.000 2.664 2.594 2.763 . 0 0 "[ . 1 . 2]" 1
1490 1 26 TYR QD 1 41 ILE HG13 5.000 . 7.000 1.947 1.826 1.992 . 0 0 "[ . 1 . 2]" 1
1491 1 26 TYR QD 1 41 ILE HG12 5.000 . 7.000 3.460 3.333 3.576 . 0 0 "[ . 1 . 2]" 1
1492 1 26 TYR QD 1 44 TYR HA 3.500 . 5.500 4.425 4.276 5.246 . 0 0 "[ . 1 . 2]" 1
1493 1 26 TYR QD 1 44 TYR QB 2.900 . 5.900 2.455 2.353 2.964 . 0 0 "[ . 1 . 2]" 1
1494 1 26 TYR QD 1 44 TYR QD 3.500 . 7.500 3.815 3.677 3.943 . 0 0 "[ . 1 . 2]" 1
1495 1 26 TYR QD 1 44 TYR QE 5.000 . 9.000 5.165 4.958 5.373 . 0 0 "[ . 1 . 2]" 1
1496 1 26 TYR QE 1 36 LEU QD 5.000 . 9.400 5.128 4.873 5.242 . 0 0 "[ . 1 . 2]" 1
1497 1 26 TYR QE 1 41 ILE HB 5.000 . 7.000 5.620 4.893 5.789 . 0 0 "[ . 1 . 2]" 1
1498 1 26 TYR QE 1 41 ILE MD 2.900 . 6.400 4.183 4.035 4.277 . 0 0 "[ . 1 . 2]" 1
1499 1 26 TYR QE 1 41 ILE HG13 3.500 . 5.500 2.942 2.454 3.119 . 0 0 "[ . 1 . 2]" 1
1500 1 26 TYR QE 1 41 ILE HG12 3.500 . 5.500 3.835 3.512 3.957 . 0 0 "[ . 1 . 2]" 1
1501 1 26 TYR QE 1 44 TYR HA 3.500 . 5.500 4.476 4.349 5.263 . 0 0 "[ . 1 . 2]" 1
1502 1 26 TYR QE 1 44 TYR QB 2.900 . 5.900 2.483 2.329 2.973 . 0 0 "[ . 1 . 2]" 1
1503 1 26 TYR QE 1 44 TYR QD 2.900 . 6.900 2.608 2.366 2.801 . 0 0 "[ . 1 . 2]" 1
1504 1 26 TYR QE 1 44 TYR QE 3.500 . 7.500 3.536 3.294 3.705 . 0 0 "[ . 1 . 2]" 1
1505 1 27 VAL HB 1 115 TRP HH2 3.500 . 3.500 2.453 2.400 2.477 . 0 0 "[ . 1 . 2]" 1
1506 1 27 VAL HB 1 115 TRP HZ2 2.900 . 2.900 2.989 2.971 3.003 0.103 8 0 "[ . 1 . 2]" 1
1507 1 27 VAL HB 1 115 TRP HZ3 3.500 . 3.500 3.553 3.540 3.571 0.071 15 0 "[ . 1 . 2]" 1
1508 1 27 VAL HB 1 92 PHE HZ 5.000 . 5.000 5.022 5.004 5.041 0.041 17 0 "[ . 1 . 2]" 1
1509 1 27 VAL QG 1 102 TRP HE3 5.000 . 7.400 3.327 3.171 3.426 . 0 0 "[ . 1 . 2]" 1
1510 1 27 VAL QG 1 102 TRP HZ3 5.000 . 7.400 3.191 3.086 3.263 . 0 0 "[ . 1 . 2]" 1
1511 1 27 VAL QG 1 104 PHE QD 3.500 . 7.900 2.897 2.758 3.102 . 0 0 "[ . 1 . 2]" 1
1512 1 27 VAL QG 1 104 PHE QE 2.900 . 7.300 2.477 2.205 2.783 . 0 0 "[ . 1 . 2]" 1
1513 1 27 VAL QG 1 115 TRP HE3 5.000 . 7.400 3.775 3.670 3.939 . 0 0 "[ . 1 . 2]" 1
1514 1 27 VAL QG 1 115 TRP HH2 2.900 . 5.300 2.488 2.346 2.645 . 0 0 "[ . 1 . 2]" 1
1515 1 27 VAL QG 1 115 TRP HZ2 3.500 . 5.900 3.750 3.715 3.768 . 0 0 "[ . 1 . 2]" 1
1516 1 27 VAL QG 1 115 TRP HZ3 3.500 . 5.900 2.427 2.160 2.676 . 0 0 "[ . 1 . 2]" 1
1517 1 27 VAL QG 1 37 TYR QD 3.500 . 7.900 3.005 2.701 3.390 . 0 0 "[ . 1 . 2]" 1
1518 1 27 VAL QG 1 37 TYR QE 3.500 . 7.900 4.655 4.371 4.893 . 0 0 "[ . 1 . 2]" 1
1519 1 27 VAL QG 1 92 PHE HZ 5.000 . 7.400 3.790 3.720 3.960 . 0 0 "[ . 1 . 2]" 1
1520 1 28 THR HA 1 115 TRP HH2 5.000 . 5.000 2.162 2.110 2.279 . 0 0 "[ . 1 . 2]" 1
1521 1 28 THR HA 1 115 TRP HZ2 5.000 . 5.000 3.458 3.370 3.659 . 0 0 "[ . 1 . 2]" 1
1522 1 28 THR HA 1 115 TRP HZ3 5.000 . 5.000 4.127 4.082 4.227 . 0 0 "[ . 1 . 2]" 1
1523 1 29 LEU HA 1 115 TRP HE3 5.000 . 5.000 5.035 5.012 5.069 0.069 11 0 "[ . 1 . 2]" 1
1524 1 29 LEU HA 1 115 TRP HH2 5.000 . 5.000 4.230 4.174 4.281 . 0 0 "[ . 1 . 2]" 1
1525 1 29 LEU HA 1 115 TRP HZ3 5.000 . 5.000 3.267 3.219 3.332 . 0 0 "[ . 1 . 2]" 1
1526 1 29 LEU QB 1 115 TRP HE3 5.000 . 6.000 3.059 3.015 3.202 . 0 0 "[ . 1 . 2]" 1
1527 1 29 LEU QB 1 115 TRP HZ3 3.500 . 4.500 2.330 2.267 2.398 . 0 0 "[ . 1 . 2]" 1
1528 1 29 LEU QD 1 115 TRP HE3 3.500 . 5.900 2.012 1.965 2.072 . 0 0 "[ . 1 . 2]" 1
1529 1 29 LEU QD 1 115 TRP HH2 2.900 . 5.300 3.544 3.512 3.564 . 0 0 "[ . 1 . 2]" 1
1530 1 29 LEU QD 1 115 TRP HZ2 5.000 . 7.400 5.053 5.026 5.074 . 0 0 "[ . 1 . 2]" 1
1531 1 29 LEU QD 1 115 TRP HZ3 2.900 . 5.300 1.745 1.718 1.767 0.082 12 0 "[ . 1 . 2]" 1
1532 1 29 LEU QD 1 92 PHE HZ 5.000 . 7.400 4.648 4.506 4.750 . 0 0 "[ . 1 . 2]" 1
1533 1 29 LEU HG 1 115 TRP HZ3 3.500 . 3.500 3.534 3.517 3.554 0.054 15 0 "[ . 1 . 2]" 1
1534 1 30 SER QB 1 34 PHE QD 3.500 . 6.500 5.173 4.980 5.458 . 0 0 "[ . 1 . 2]" 1
1535 1 32 ASN HA 1 34 PHE QD 5.000 . 7.000 5.995 5.705 6.327 . 0 0 "[ . 1 . 2]" 1
1536 1 32 ASN QB 1 34 PHE QD 5.000 . 8.000 4.015 3.380 4.816 . 0 0 "[ . 1 . 2]" 1
1537 1 33 GLY QA 1 34 PHE QD 5.000 . 8.000 4.507 3.993 5.081 . 0 0 "[ . 1 . 2]" 1
1538 1 33 GLY QA 1 34 PHE QE 5.000 . 8.000 6.108 5.783 6.428 . 0 0 "[ . 1 . 2]" 1
1539 1 34 PHE HA 1 34 PHE QD 2.900 . 4.900 2.422 2.157 2.787 . 0 0 "[ . 1 . 2]" 1
1540 1 34 PHE HA 1 34 PHE QE 3.500 . 5.500 4.207 4.116 4.331 . 0 0 "[ . 1 . 2]" 1
1541 1 34 PHE QB 1 34 PHE QD 2.900 . 5.900 2.145 2.115 2.184 . 0 0 "[ . 1 . 2]" 1
1542 1 34 PHE QD 1 35 LEU HA 5.000 . 7.000 4.921 4.245 5.436 . 0 0 "[ . 1 . 2]" 1
1543 1 34 PHE QD 1 35 LEU H 5.000 . 7.000 3.101 2.087 3.970 . 0 0 "[ . 1 . 2]" 1
1544 1 34 PHE QD 1 36 LEU QD 2.900 . 7.300 2.968 2.052 3.821 . 0 0 "[ . 1 . 2]" 1
1545 1 34 PHE QD 1 52 GLU HA 3.500 . 5.500 4.091 3.535 4.676 . 0 0 "[ . 1 . 2]" 1
1546 1 34 PHE QD 1 52 GLU QB 2.900 . 5.900 2.537 2.151 3.212 . 0 0 "[ . 1 . 2]" 1
1547 1 34 PHE QD 1 52 GLU QG 3.500 . 6.500 3.526 2.012 4.526 . 0 0 "[ . 1 . 2]" 1
1548 1 34 PHE QD 1 53 MET HA 5.000 . 7.000 5.174 4.170 6.022 . 0 0 "[ . 1 . 2]" 1
1549 1 34 PHE QD 1 54 ASP HA 2.900 . 4.900 3.259 2.539 3.838 . 0 0 "[ . 1 . 2]" 1
1550 1 34 PHE QD 1 54 ASP QB 3.500 . 6.500 4.760 4.048 5.217 . 0 0 "[ . 1 . 2]" 1
1551 1 34 PHE QD 1 55 LEU QB 5.000 . 8.000 4.708 4.114 5.284 . 0 0 "[ . 1 . 2]" 1
1552 1 34 PHE QD 1 55 LEU QD 3.500 . 7.900 4.315 3.700 4.702 . 0 0 "[ . 1 . 2]" 1
1553 1 34 PHE QE 1 35 LEU H 5.000 . 7.000 4.721 4.064 5.204 . 0 0 "[ . 1 . 2]" 1
1554 1 34 PHE QE 1 36 LEU QD 3.500 . 7.900 3.967 3.120 4.673 . 0 0 "[ . 1 . 2]" 1
1555 1 34 PHE QE 1 52 GLU QB 2.900 . 5.900 2.154 1.897 2.370 . 0 0 "[ . 1 . 2]" 1
1556 1 34 PHE QE 1 52 GLU QG 3.500 . 6.500 2.694 1.964 4.149 . 0 0 "[ . 1 . 2]" 1
1557 1 34 PHE QE 1 53 MET HA 5.000 . 7.000 4.328 2.784 5.499 . 0 0 "[ . 1 . 2]" 1
1558 1 34 PHE QE 1 54 ASP HA 2.900 . 4.900 3.159 2.440 3.803 . 0 0 "[ . 1 . 2]" 1
1559 1 34 PHE QE 1 54 ASP QB 2.900 . 5.900 3.725 2.872 4.301 . 0 0 "[ . 1 . 2]" 1
1560 1 34 PHE QE 1 55 LEU QB 5.000 . 8.000 6.081 5.749 6.420 . 0 0 "[ . 1 . 2]" 1
1561 1 35 LEU HA 1 102 TRP HZ3 5.000 . 5.000 4.448 4.357 4.558 . 0 0 "[ . 1 . 2]" 1
1562 1 35 LEU QB 1 102 TRP HE3 5.000 . 6.000 4.515 4.450 4.587 . 0 0 "[ . 1 . 2]" 1
1563 1 35 LEU QB 1 102 TRP HZ3 3.500 . 4.500 3.821 3.717 3.896 . 0 0 "[ . 1 . 2]" 1
1564 1 35 LEU QD 1 102 TRP HE3 2.900 . 5.300 2.307 2.153 2.412 . 0 0 "[ . 1 . 2]" 1
1565 1 35 LEU QD 1 102 TRP HZ3 2.900 . 5.300 2.169 1.989 2.327 . 0 0 "[ . 1 . 2]" 1
1566 1 35 LEU QD 1 104 PHE QE 2.900 . 7.300 2.416 2.198 2.513 . 0 0 "[ . 1 . 2]" 1
1567 1 35 LEU QD 1 115 TRP HE3 2.900 . 5.300 3.320 3.213 3.512 . 0 0 "[ . 1 . 2]" 1
1568 1 35 LEU HG 1 102 TRP HE3 3.500 . 3.500 2.667 2.596 2.738 . 0 0 "[ . 1 . 2]" 1
1569 1 35 LEU HG 1 102 TRP HH2 3.500 . 3.500 3.576 3.562 3.597 0.097 10 0 "[ . 1 . 2]" 1
1570 1 35 LEU HG 1 102 TRP HZ3 2.900 . 2.900 1.884 1.805 1.941 . 0 0 "[ . 1 . 2]" 1
1571 1 35 LEU HG 1 104 PHE QD 5.000 . 7.000 5.810 5.767 5.859 . 0 0 "[ . 1 . 2]" 1
1572 1 35 LEU HG 1 104 PHE QE 3.500 . 5.500 3.765 3.749 3.803 . 0 0 "[ . 1 . 2]" 1
1573 1 36 LEU HA 1 102 TRP HH2 3.500 . 3.500 2.490 2.249 2.607 . 0 0 "[ . 1 . 2]" 1
1574 1 36 LEU HA 1 102 TRP HZ2 5.000 . 5.000 4.888 4.631 5.013 0.013 15 0 "[ . 1 . 2]" 1
1575 1 36 LEU HA 1 102 TRP HZ3 3.500 . 3.500 2.825 2.664 2.927 . 0 0 "[ . 1 . 2]" 1
1576 1 36 LEU H 1 102 TRP HZ3 5.000 . 5.000 3.849 3.728 3.941 . 0 0 "[ . 1 . 2]" 1
1577 1 37 TYR HA 1 37 TYR QD 3.500 . 5.500 3.674 3.503 3.704 . 0 0 "[ . 1 . 2]" 1
1578 1 37 TYR HA 1 37 TYR QE 5.000 . 7.000 5.573 5.491 5.614 . 0 0 "[ . 1 . 2]" 1
1579 1 37 TYR QD 1 102 TRP HE3 5.000 . 7.000 3.632 3.202 3.948 . 0 0 "[ . 1 . 2]" 1
1580 1 37 TYR QD 1 102 TRP HH2 3.500 . 5.500 2.904 2.803 3.090 . 0 0 "[ . 1 . 2]" 1
1581 1 37 TYR QD 1 102 TRP HZ2 3.500 . 5.500 3.514 3.277 3.656 . 0 0 "[ . 1 . 2]" 1
1582 1 37 TYR QD 1 102 TRP HZ3 3.500 . 5.500 3.006 2.926 3.246 . 0 0 "[ . 1 . 2]" 1
1583 1 37 TYR QD 1 104 PHE QD 5.000 . 9.000 4.303 4.123 5.023 . 0 0 "[ . 1 . 2]" 1
1584 1 37 TYR QD 1 104 PHE QE 3.500 . 7.500 2.693 2.365 3.301 . 0 0 "[ . 1 . 2]" 1
1585 1 37 TYR QD 1 51 LYS QB 5.000 . 8.000 2.071 1.927 2.607 . 0 0 "[ . 1 . 2]" 1
1586 1 37 TYR QD 1 51 LYS QD 5.000 . 8.000 3.991 3.408 5.187 . 0 0 "[ . 1 . 2]" 1
1587 1 37 TYR QD 1 51 LYS QE 5.000 . 8.000 5.209 3.932 5.996 . 0 0 "[ . 1 . 2]" 1
1588 1 37 TYR QD 1 51 LYS QG 3.500 . 6.500 3.840 2.731 4.445 . 0 0 "[ . 1 . 2]" 1
1589 1 37 TYR H 1 37 TYR QD 5.000 . 7.000 2.740 2.183 3.370 . 0 0 "[ . 1 . 2]" 1
1590 1 37 TYR QE 1 102 TRP HD1 5.000 . 7.000 4.619 4.047 4.895 . 0 0 "[ . 1 . 2]" 1
1591 1 37 TYR QE 1 102 TRP HE3 5.000 . 7.000 4.834 4.683 4.954 . 0 0 "[ . 1 . 2]" 1
1592 1 37 TYR QE 1 102 TRP HH2 5.000 . 7.000 4.456 4.248 4.818 . 0 0 "[ . 1 . 2]" 1
1593 1 37 TYR QE 1 102 TRP HZ2 3.500 . 5.500 3.536 3.356 3.673 . 0 0 "[ . 1 . 2]" 1
1594 1 37 TYR QE 1 102 TRP HZ3 5.000 . 7.000 5.023 4.837 5.290 . 0 0 "[ . 1 . 2]" 1
1595 1 37 TYR QE 1 104 PHE QE 5.000 . 9.000 2.745 2.343 3.780 . 0 0 "[ . 1 . 2]" 1
1596 1 37 TYR QE 1 51 LYS HA 5.000 . 7.000 4.653 4.470 5.296 . 0 0 "[ . 1 . 2]" 1
1597 1 37 TYR QE 1 51 LYS QB 5.000 . 8.000 2.061 1.863 2.875 . 0 0 "[ . 1 . 2]" 1
1598 1 37 TYR QE 1 51 LYS QD 5.000 . 8.000 2.664 1.930 4.276 . 0 0 "[ . 1 . 2]" 1
1599 1 37 TYR QE 1 51 LYS QE 5.000 . 8.000 3.798 2.138 4.808 . 0 0 "[ . 1 . 2]" 1
1600 1 37 TYR QE 1 51 LYS QG 3.500 . 6.500 2.481 1.979 3.676 . 0 0 "[ . 1 . 2]" 1
1601 1 37 TYR H 1 102 TRP HH2 5.000 . 5.000 3.154 2.869 3.268 . 0 0 "[ . 1 . 2]" 1
1602 1 38 HIS HA 1 38 HIS HD2 5.000 . 5.000 4.168 4.086 4.290 . 0 0 "[ . 1 . 2]" 1
1603 1 38 HIS QB 1 38 HIS HD2 3.500 . 4.500 2.625 2.622 2.633 . 0 0 "[ . 1 . 2]" 1
1604 1 38 HIS HD2 1 39 PRO QD 5.000 . 6.000 4.075 3.892 4.230 . 0 0 "[ . 1 . 2]" 1
1605 1 38 HIS HD2 1 43 ASP HA 5.000 . 5.000 4.425 4.087 4.809 . 0 0 "[ . 1 . 2]" 1
1606 1 38 HIS HD2 1 43 ASP QB 3.500 . 4.500 2.845 2.450 3.277 . 0 0 "[ . 1 . 2]" 1
1607 1 38 HIS HD2 1 44 TYR HA 3.500 . 3.500 3.231 2.973 3.492 . 0 0 "[ . 1 . 2]" 1
1608 1 38 HIS HD2 1 44 TYR QB 5.000 . 6.000 4.426 4.205 4.643 . 0 0 "[ . 1 . 2]" 1
1609 1 38 HIS HD2 1 44 TYR QD 5.000 . 7.000 5.665 5.417 5.951 . 0 0 "[ . 1 . 2]" 1
1610 1 38 HIS HD2 1 47 SER HA 3.500 . 3.500 3.509 3.380 3.533 0.033 12 0 "[ . 1 . 2]" 1
1611 1 38 HIS HD2 1 50 GLY QA 3.500 . 4.500 2.368 2.150 2.666 . 0 0 "[ . 1 . 2]" 1
1612 1 41 ILE HG13 1 44 TYR QD 5.000 . 7.000 3.801 3.297 4.196 . 0 0 "[ . 1 . 2]" 1
1613 1 41 ILE HG12 1 44 TYR QD 5.000 . 7.000 4.586 4.161 4.976 . 0 0 "[ . 1 . 2]" 1
1614 1 41 ILE MG 1 44 TYR QD 2.900 . 6.400 2.123 1.981 2.344 . 0 0 "[ . 1 . 2]" 1
1615 1 41 ILE MG 1 44 TYR QE 3.500 . 7.000 3.334 3.109 3.587 . 0 0 "[ . 1 . 2]" 1
1616 1 42 ASN HA 1 46 HIS HD2 2.900 . 2.900 1.820 1.798 1.845 0.002 13 0 "[ . 1 . 2]" 1
1617 1 42 ASN HA 1 46 HIS HE1 5.000 . 5.000 5.077 5.066 5.083 0.083 17 0 "[ . 1 . 2]" 1
1618 1 42 ASN QB 1 46 HIS HD2 2.900 . 3.900 3.095 3.037 3.165 . 0 0 "[ . 1 . 2]" 1
1619 1 42 ASN QB 1 46 HIS HE1 5.000 . 6.000 4.912 4.727 5.117 . 0 0 "[ . 1 . 2]" 1
1620 1 44 TYR HA 1 44 TYR QD 2.900 . 4.900 3.058 2.904 3.162 . 0 0 "[ . 1 . 2]" 1
1621 1 44 TYR HA 1 44 TYR QE 3.500 . 5.500 5.093 5.009 5.150 . 0 0 "[ . 1 . 2]" 1
1622 1 44 TYR QB 1 44 TYR QD 2.900 . 5.900 2.140 2.138 2.146 . 0 0 "[ . 1 . 2]" 1
1623 1 44 TYR QD 1 45 ILE MD 2.900 . 6.400 3.368 3.221 3.663 . 0 0 "[ . 1 . 2]" 1
1624 1 44 TYR QD 1 45 ILE HG13 2.900 . 4.900 2.192 1.997 2.607 . 0 0 "[ . 1 . 2]" 1
1625 1 44 TYR QD 1 45 ILE HG12 2.900 . 4.900 3.821 3.527 4.253 . 0 0 "[ . 1 . 2]" 1
1626 1 44 TYR QD 1 45 ILE MG 3.500 . 7.000 4.750 4.610 4.992 . 0 0 "[ . 1 . 2]" 1
1627 1 44 TYR QD 1 47 SER HA 5.000 . 7.000 5.632 5.343 5.775 . 0 0 "[ . 1 . 2]" 1
1628 1 44 TYR QE 1 45 ILE HB 5.000 . 7.000 5.010 4.854 5.329 . 0 0 "[ . 1 . 2]" 1
1629 1 44 TYR QE 1 45 ILE MD 2.900 . 6.400 3.387 3.173 3.801 . 0 0 "[ . 1 . 2]" 1
1630 1 44 TYR QE 1 45 ILE HG12 3.500 . 5.500 3.228 3.053 3.631 . 0 0 "[ . 1 . 2]" 1
1631 1 44 TYR QE 1 45 ILE MG 3.500 . 7.000 4.841 4.731 5.088 . 0 0 "[ . 1 . 2]" 1
1632 1 45 ILE HB 1 46 HIS HD2 2.900 . 2.900 2.108 2.090 2.128 . 0 0 "[ . 1 . 2]" 1
1633 1 45 ILE MD 1 46 HIS HD2 3.500 . 5.000 3.506 3.454 3.566 . 0 0 "[ . 1 . 2]" 1
1634 1 45 ILE HG13 1 46 HIS HD2 5.000 . 5.000 4.622 4.564 4.695 . 0 0 "[ . 1 . 2]" 1
1635 1 45 ILE HG12 1 46 HIS HD2 5.000 . 5.000 5.006 5.001 5.010 0.010 6 0 "[ . 1 . 2]" 1
1636 1 45 ILE MG 1 46 HIS HD2 2.900 . 4.400 2.550 2.512 2.586 . 0 0 "[ . 1 . 2]" 1
1637 1 45 ILE MG 1 46 HIS HE1 2.900 . 4.400 3.642 3.634 3.651 . 0 0 "[ . 1 . 2]" 1
1638 1 46 HIS QB 1 46 HIS HD2 3.500 . 4.500 2.905 2.898 2.914 . 0 0 "[ . 1 . 2]" 1
1639 1 46 HIS HD2 1 48 THR MG 5.000 . 6.500 4.773 4.488 5.268 . 0 0 "[ . 1 . 2]" 1
1640 1 51 LYS HA 1 102 TRP HH2 5.000 . 5.000 4.376 4.278 4.490 . 0 0 "[ . 1 . 2]" 1
1641 1 51 LYS HA 1 102 TRP HZ2 5.000 . 5.000 4.077 3.969 4.177 . 0 0 "[ . 1 . 2]" 1
1642 1 51 LYS QB 1 102 TRP HH2 5.000 . 6.000 2.956 2.720 3.176 . 0 0 "[ . 1 . 2]" 1
1643 1 51 LYS QB 1 102 TRP HZ2 2.900 . 3.900 2.527 2.144 3.146 . 0 0 "[ . 1 . 2]" 1
1644 1 51 LYS QD 1 102 TRP HZ2 3.500 . 4.500 2.811 1.953 4.066 . 0 0 "[ . 1 . 2]" 1
1645 1 51 LYS QG 1 102 TRP HZ2 3.500 . 4.500 3.328 1.966 4.072 . 0 0 "[ . 1 . 2]" 1
1646 1 52 GLU HA 1 102 TRP HH2 2.900 . 2.900 1.778 1.760 1.793 0.040 13 0 "[ . 1 . 2]" 1
1647 1 52 GLU HA 1 102 TRP HZ2 3.500 . 3.500 3.582 3.568 3.602 0.102 9 0 "[ . 1 . 2]" 1
1648 1 52 GLU HA 1 102 TRP HZ3 3.500 . 3.500 3.615 3.590 3.628 0.128 19 0 "[ . 1 . 2]" 1
1649 1 53 MET HA 1 102 TRP HH2 5.000 . 5.000 4.571 4.369 5.007 0.007 12 0 "[ . 1 . 2]" 1
1650 1 53 MET HA 1 102 TRP HZ2 5.000 . 5.000 4.021 3.697 4.802 . 0 0 "[ . 1 . 2]" 1
1651 1 53 MET QB 1 102 TRP HZ2 5.000 . 6.000 3.076 2.938 3.491 . 0 0 "[ . 1 . 2]" 1
1652 1 53 MET ME 1 102 TRP HD1 2.900 . 4.400 2.806 2.616 3.094 . 0 0 "[ . 1 . 2]" 1
1653 1 53 MET ME 1 102 TRP HE3 3.500 . 5.000 3.208 3.029 3.640 . 0 0 "[ . 1 . 2]" 1
1654 1 53 MET ME 1 102 TRP HZ2 3.500 . 5.000 3.403 2.706 3.651 . 0 0 "[ . 1 . 2]" 1
1655 1 53 MET ME 1 102 TRP HZ3 3.500 . 5.000 4.050 4.009 4.097 . 0 0 "[ . 1 . 2]" 1
1656 1 53 MET QG 1 102 TRP HE3 5.000 . 6.000 4.971 4.088 5.255 . 0 0 "[ . 1 . 2]" 1
1657 1 53 MET QG 1 102 TRP HZ2 5.000 . 6.000 4.772 3.691 5.180 . 0 0 "[ . 1 . 2]" 1
1658 1 74 PHE QB 1 74 PHE QD 2.900 . 5.900 2.132 2.123 2.150 . 0 0 "[ . 1 . 2]" 1
1659 1 88 GLU HA 1 90 PHE QE 5.000 . 7.000 3.043 2.449 4.761 . 0 0 "[ . 1 . 2]" 1
1660 1 88 GLU HA 1 90 PHE HZ 5.000 . 5.000 4.887 4.022 5.022 0.022 19 0 "[ . 1 . 2]" 1
1661 1 88 GLU QB 1 109 PHE QE 3.500 . 6.500 2.670 1.965 3.390 . 0 0 "[ . 1 . 2]" 1
1662 1 88 GLU QB 1 109 PHE HZ 3.500 . 4.500 2.673 1.881 4.132 . 0 0 "[ . 1 . 2]" 1
1663 1 88 GLU QB 1 90 PHE QD 3.500 . 6.500 3.962 3.301 4.476 . 0 0 "[ . 1 . 2]" 1
1664 1 88 GLU QB 1 90 PHE QE 3.500 . 6.500 2.848 1.975 4.161 . 0 0 "[ . 1 . 2]" 1
1665 1 89 ASN HA 1 90 PHE QD 5.000 . 7.000 3.506 3.066 4.497 . 0 0 "[ . 1 . 2]" 1
1666 1 89 ASN HA 1 90 PHE QE 5.000 . 7.000 4.884 4.017 5.688 . 0 0 "[ . 1 . 2]" 1
1667 1 90 PHE HA 1 90 PHE QD 2.900 . 4.900 2.927 2.188 3.449 . 0 0 "[ . 1 . 2]" 1
1668 1 90 PHE HA 1 90 PHE QE 5.000 . 7.000 4.789 4.303 5.502 . 0 0 "[ . 1 . 2]" 1
1669 1 90 PHE QB 1 90 PHE QD 2.900 . 5.900 2.160 2.123 2.254 . 0 0 "[ . 1 . 2]" 1
1670 1 90 PHE QD 1 109 PHE HA 3.500 . 5.500 2.782 1.981 3.646 . 0 0 "[ . 1 . 2]" 1
1671 1 90 PHE QD 1 109 PHE QB 5.000 . 8.000 3.989 3.342 4.865 . 0 0 "[ . 1 . 2]" 1
1672 1 90 PHE QD 1 109 PHE QD 2.900 . 6.900 3.339 2.471 3.967 . 0 0 "[ . 1 . 2]" 1
1673 1 90 PHE QD 1 109 PHE QE 3.500 . 7.500 3.192 2.278 4.140 . 0 0 "[ . 1 . 2]" 1
1674 1 90 PHE QD 1 109 PHE HZ 5.000 . 7.000 3.955 2.660 5.528 . 0 0 "[ . 1 . 2]" 1
1675 1 90 PHE QD 1 112 ARG HA 5.000 . 7.000 4.891 4.009 5.830 . 0 0 "[ . 1 . 2]" 1
1676 1 90 PHE QD 1 112 ARG QG 3.500 . 6.500 2.712 1.843 3.599 . 0 0 "[ . 1 . 2]" 1
1677 1 90 PHE QE 1 109 PHE HA 5.000 . 7.000 3.300 2.702 4.242 . 0 0 "[ . 1 . 2]" 1
1678 1 90 PHE QE 1 109 PHE QB 5.000 . 8.000 3.033 1.807 4.026 . 0 0 "[ . 1 . 2]" 1
1679 1 90 PHE QE 1 109 PHE QD 3.500 . 7.500 3.147 2.540 3.625 . 0 0 "[ . 1 . 2]" 1
1680 1 90 PHE QE 1 109 PHE QE 3.500 . 7.500 3.077 2.571 4.058 . 0 0 "[ . 1 . 2]" 1
1681 1 90 PHE QE 1 109 PHE HZ 5.000 . 7.000 3.821 2.749 4.891 . 0 0 "[ . 1 . 2]" 1
1682 1 90 PHE QE 1 112 ARG QB 5.000 . 8.000 4.110 3.041 5.345 . 0 0 "[ . 1 . 2]" 1
1683 1 90 PHE QE 1 112 ARG QG 5.000 . 8.000 4.361 3.377 5.475 . 0 0 "[ . 1 . 2]" 1
1684 1 90 PHE H 1 109 PHE HZ 5.000 . 5.000 5.024 5.003 5.049 0.049 6 0 "[ . 1 . 2]" 1
1685 1 90 PHE HZ 1 109 PHE QB 3.500 . 4.500 3.655 3.268 3.867 . 0 0 "[ . 1 . 2]" 1
1686 1 90 PHE HZ 1 109 PHE QD 3.500 . 5.500 3.381 2.404 4.313 . 0 0 "[ . 1 . 2]" 1
1687 1 90 PHE HZ 1 109 PHE QE 5.000 . 7.000 4.151 3.394 5.090 . 0 0 "[ . 1 . 2]" 1
1688 1 91 GLU HA 1 103 HIS HE1 3.500 . 3.500 3.547 3.533 3.570 0.070 1 0 "[ . 1 . 2]" 1
1689 1 91 GLU QB 1 103 HIS HD2 5.000 . 6.000 5.097 4.962 5.268 . 0 0 "[ . 1 . 2]" 1
1690 1 92 PHE HA 1 92 PHE QD 3.500 . 5.500 3.697 3.675 3.721 . 0 0 "[ . 1 . 2]" 1
1691 1 92 PHE QD 1 104 PHE QD 3.500 . 7.500 4.455 4.049 4.750 . 0 0 "[ . 1 . 2]" 1
1692 1 92 PHE QD 1 104 PHE QE 5.000 . 9.000 5.971 5.621 6.298 . 0 0 "[ . 1 . 2]" 1
1693 1 92 PHE QD 1 106 ALA MB 3.500 . 7.000 3.333 2.797 3.562 . 0 0 "[ . 1 . 2]" 1
1694 1 92 PHE QD 1 112 ARG HA 3.500 . 5.500 3.592 2.784 4.343 . 0 0 "[ . 1 . 2]" 1
1695 1 92 PHE QD 1 113 ASP HA 5.000 . 7.000 6.021 5.248 6.525 . 0 0 "[ . 1 . 2]" 1
1696 1 92 PHE QD 1 115 TRP QB 5.000 . 8.000 3.744 3.439 3.939 . 0 0 "[ . 1 . 2]" 1
1697 1 92 PHE QD 1 116 VAL HA 3.500 . 5.500 3.792 2.990 4.597 . 0 0 "[ . 1 . 2]" 1
1698 1 92 PHE QD 1 116 VAL HB 3.500 . 5.500 4.850 3.924 5.243 . 0 0 "[ . 1 . 2]" 1
1699 1 92 PHE QD 1 116 VAL QG 2.900 . 7.300 2.796 2.247 3.927 . 0 0 "[ . 1 . 2]" 1
1700 1 92 PHE QD 1 116 VAL H 5.000 . 7.000 4.372 3.801 4.671 . 0 0 "[ . 1 . 2]" 1
1701 1 92 PHE QD 1 119 ILE MD 2.900 . 6.400 3.937 3.314 4.733 . 0 0 "[ . 1 . 2]" 1
1702 1 92 PHE QD 1 119 ILE MG 5.000 . 8.500 4.796 4.264 5.384 . 0 0 "[ . 1 . 2]" 1
1703 1 92 PHE QD 1 93 LEU H 5.000 . 7.000 3.666 3.174 4.219 . 0 0 "[ . 1 . 2]" 1
1704 1 92 PHE QD 1 94 ILE MD 2.900 . 6.400 1.936 1.884 2.190 . 0 0 "[ . 1 . 2]" 1
1705 1 92 PHE QD 1 94 ILE HG13 5.000 . 7.000 4.194 3.644 4.575 . 0 0 "[ . 1 . 2]" 1
1706 1 92 PHE QD 1 94 ILE HG12 5.000 . 7.000 3.384 2.583 4.099 . 0 0 "[ . 1 . 2]" 1
1707 1 92 PHE QE 1 104 PHE QD 3.500 . 7.500 2.867 1.999 3.505 . 0 0 "[ . 1 . 2]" 1
1708 1 92 PHE QE 1 104 PHE QE 3.500 . 7.500 4.372 3.746 4.951 . 0 0 "[ . 1 . 2]" 1
1709 1 92 PHE QE 1 112 ARG HA 5.000 . 7.000 3.258 2.554 4.040 . 0 0 "[ . 1 . 2]" 1
1710 1 92 PHE QE 1 112 ARG QB 5.000 . 8.000 4.429 3.730 4.953 . 0 0 "[ . 1 . 2]" 1
1711 1 92 PHE QE 1 115 TRP QB 3.500 . 6.500 2.556 2.120 2.876 . 0 0 "[ . 1 . 2]" 1
1712 1 92 PHE QE 1 115 TRP HD1 3.500 . 5.500 4.288 3.674 4.781 . 0 0 "[ . 1 . 2]" 1
1713 1 92 PHE QE 1 115 TRP HE3 3.500 . 5.500 3.745 3.254 4.215 . 0 0 "[ . 1 . 2]" 1
1714 1 92 PHE QE 1 115 TRP H 5.000 . 7.000 5.048 4.354 5.519 . 0 0 "[ . 1 . 2]" 1
1715 1 92 PHE QE 1 116 VAL HA 5.000 . 7.000 4.345 3.762 4.930 . 0 0 "[ . 1 . 2]" 1
1716 1 92 PHE QE 1 116 VAL H 5.000 . 7.000 4.362 3.840 4.637 . 0 0 "[ . 1 . 2]" 1
1717 1 92 PHE H 1 103 HIS HE1 3.500 . 3.500 3.324 3.069 3.518 0.018 17 0 "[ . 1 . 2]" 1
1718 1 92 PHE HZ 1 104 PHE QB 5.000 . 6.000 3.122 2.961 3.322 . 0 0 "[ . 1 . 2]" 1
1719 1 92 PHE HZ 1 104 PHE QD 5.000 . 7.000 2.921 2.758 3.169 . 0 0 "[ . 1 . 2]" 1
1720 1 92 PHE HZ 1 104 PHE QE 5.000 . 7.000 4.892 4.751 5.046 . 0 0 "[ . 1 . 2]" 1
1721 1 92 PHE HZ 1 106 ALA MB 5.000 . 6.500 4.651 4.384 4.881 . 0 0 "[ . 1 . 2]" 1
1722 1 92 PHE HZ 1 115 TRP HA 5.000 . 5.000 4.959 4.805 5.021 0.021 8 0 "[ . 1 . 2]" 1
1723 1 92 PHE HZ 1 115 TRP QB 5.000 . 6.000 2.485 2.344 2.559 . 0 0 "[ . 1 . 2]" 1
1724 1 92 PHE HZ 1 115 TRP HD1 5.000 . 5.000 4.740 4.451 4.878 . 0 0 "[ . 1 . 2]" 1
1725 1 92 PHE HZ 1 115 TRP HE3 5.000 . 5.000 3.457 3.308 3.559 . 0 0 "[ . 1 . 2]" 1
1726 1 92 PHE HZ 1 119 ILE MD 3.500 . 5.000 3.588 3.313 3.898 . 0 0 "[ . 1 . 2]" 1
1727 1 92 PHE HZ 1 119 ILE QG 5.000 . 6.000 5.075 4.459 5.327 . 0 0 "[ . 1 . 2]" 1
1728 1 92 PHE HZ 1 94 ILE MD 3.500 . 5.000 3.912 3.805 3.988 . 0 0 "[ . 1 . 2]" 1
1729 1 93 LEU HA 1 104 PHE QD 5.000 . 7.000 5.334 4.829 5.571 . 0 0 "[ . 1 . 2]" 1
1730 1 93 LEU QD 1 103 HIS HD2 2.900 . 5.300 2.658 2.491 2.924 . 0 0 "[ . 1 . 2]" 1
1731 1 93 LEU QD 1 103 HIS HE1 3.500 . 5.900 3.452 3.116 3.867 . 0 0 "[ . 1 . 2]" 1
1732 1 93 LEU HG 1 103 HIS HE1 3.500 . 3.500 3.483 3.387 3.517 0.017 6 0 "[ . 1 . 2]" 1
1733 1 94 ILE MD 1 104 PHE QD 2.900 . 6.400 3.741 3.565 3.862 . 0 0 "[ . 1 . 2]" 1
1734 1 94 ILE HG13 1 104 PHE QD 5.000 . 7.000 3.338 3.022 3.536 . 0 0 "[ . 1 . 2]" 1
1735 1 94 ILE HG13 1 104 PHE QE 3.500 . 5.500 3.040 2.740 3.241 . 0 0 "[ . 1 . 2]" 1
1736 1 94 ILE HG12 1 104 PHE QD 5.000 . 7.000 3.547 3.148 3.789 . 0 0 "[ . 1 . 2]" 1
1737 1 94 ILE MG 1 102 TRP HE3 3.500 . 5.000 3.976 3.918 4.048 . 0 0 "[ . 1 . 2]" 1
1738 1 94 ILE MG 1 104 PHE QD 5.000 . 8.500 5.129 4.918 5.257 . 0 0 "[ . 1 . 2]" 1
1739 1 94 ILE MG 1 104 PHE QE 3.500 . 7.000 4.395 4.201 4.516 . 0 0 "[ . 1 . 2]" 1
1740 1 102 TRP HA 1 102 TRP HD1 2.900 . 2.900 2.538 2.411 2.584 . 0 0 "[ . 1 . 2]" 1
1741 1 102 TRP HA 1 102 TRP HE3 5.000 . 5.000 5.039 5.018 5.084 0.084 13 0 "[ . 1 . 2]" 1
1742 1 102 TRP QB 1 102 TRP HE3 3.500 . 4.500 2.560 2.549 2.568 . 0 0 "[ . 1 . 2]" 1
1743 1 102 TRP QB 1 104 PHE QD 5.000 . 8.000 3.666 3.588 3.699 . 0 0 "[ . 1 . 2]" 1
1744 1 102 TRP QB 1 104 PHE QE 2.900 . 5.900 2.695 2.539 2.744 . 0 0 "[ . 1 . 2]" 1
1745 1 102 TRP HD1 1 104 PHE QE 5.000 . 7.000 5.486 5.389 5.556 . 0 0 "[ . 1 . 2]" 1
1746 1 102 TRP HE3 1 104 PHE QD 3.500 . 5.500 4.266 4.228 4.303 . 0 0 "[ . 1 . 2]" 1
1747 1 102 TRP HE3 1 104 PHE QE 2.900 . 4.900 1.969 1.904 2.000 . 0 0 "[ . 1 . 2]" 1
1748 1 102 TRP HZ3 1 104 PHE QE 3.500 . 5.500 3.784 3.694 3.901 . 0 0 "[ . 1 . 2]" 1
1749 1 103 HIS HA 1 104 PHE QD 5.000 . 7.000 4.604 4.532 4.686 . 0 0 "[ . 1 . 2]" 1
1750 1 103 HIS HE1 1 104 PHE H 5.000 . 5.000 4.139 4.084 4.170 . 0 0 "[ . 1 . 2]" 1
1751 1 104 PHE QD 1 105 GLU H 5.000 . 7.000 3.855 3.717 3.922 . 0 0 "[ . 1 . 2]" 1
1752 1 109 PHE HA 1 109 PHE QD 2.900 . 4.900 2.224 1.810 2.785 . 0 0 "[ . 1 . 2]" 1
1753 1 109 PHE HA 1 109 PHE QE 3.500 . 5.500 4.249 4.146 4.461 . 0 0 "[ . 1 . 2]" 1
1754 1 109 PHE QB 1 109 PHE QD 2.900 . 5.900 2.226 2.134 2.325 . 0 0 "[ . 1 . 2]" 1
1755 1 111 GLU HA 1 115 TRP HD1 3.500 . 3.500 3.424 2.885 3.520 0.020 9 0 "[ . 1 . 2]" 1
1756 1 111 GLU QB 1 115 TRP HD1 3.500 . 4.500 2.991 2.299 3.677 . 0 0 "[ . 1 . 2]" 1
1757 1 111 GLU QG 1 115 TRP HD1 2.900 . 3.900 2.158 1.848 2.800 . 0 0 "[ . 1 . 2]" 1
1758 1 114 ALA MB 1 115 TRP HD1 3.500 . 5.000 3.549 3.408 3.666 . 0 0 "[ . 1 . 2]" 1
1759 1 115 TRP HA 1 115 TRP HD1 5.000 . 5.000 3.996 3.957 4.030 . 0 0 "[ . 1 . 2]" 1
1760 1 115 TRP HA 1 115 TRP HE3 2.900 . 2.900 2.984 2.959 3.044 0.144 8 0 "[ . 1 . 2]" 1
1761 1 115 TRP QB 1 115 TRP HD1 2.900 . 3.900 2.566 2.557 2.586 . 0 0 "[ . 1 . 2]" 1
1762 1 115 TRP QB 1 115 TRP HE3 3.500 . 4.500 2.619 2.580 2.646 . 0 0 "[ . 1 . 2]" 1
1763 1 115 TRP H 1 115 TRP HD1 3.500 . 3.500 2.838 2.801 2.864 . 0 0 "[ . 1 . 2]" 1
1764 1 115 TRP HD1 1 116 VAL H 5.000 . 5.000 4.901 4.864 4.937 . 0 0 "[ . 1 . 2]" 1
1765 1 115 TRP HE3 1 119 ILE MD 2.000 . 3.500 1.897 1.820 2.224 . 0 0 "[ . 1 . 2]" 1
1766 1 115 TRP HE3 1 119 ILE QG 3.000 . 4.000 3.662 3.647 3.691 . 0 0 "[ . 1 . 2]" 1
1767 1 115 TRP HZ3 1 119 ILE QG 5.000 . 6.000 4.528 4.267 5.348 . 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 82
_Distance_constraint_stats_list.Viol_count 450
_Distance_constraint_stats_list.Viol_total 258.058
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_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 6 LYS 4.423 0.167 9 0 "[ . 1 . 2]"
1 8 SER 0.016 0.013 8 0 "[ . 1 . 2]"
1 10 LEU 0.166 0.027 16 0 "[ . 1 . 2]"
1 11 LEU 0.707 0.041 2 0 "[ . 1 . 2]"
1 12 LYS 0.018 0.009 14 0 "[ . 1 . 2]"
1 23 LYS 0.018 0.009 14 0 "[ . 1 . 2]"
1 25 LYS 0.166 0.027 16 0 "[ . 1 . 2]"
1 26 TYR 0.618 0.051 4 0 "[ . 1 . 2]"
1 27 VAL 0.016 0.013 8 0 "[ . 1 . 2]"
1 28 THR 1.012 0.059 17 0 "[ . 1 . 2]"
1 29 LEU 4.423 0.167 9 0 "[ . 1 . 2]"
1 35 LEU 0.525 0.033 10 0 "[ . 1 . 2]"
1 36 LEU 1.012 0.059 17 0 "[ . 1 . 2]"
1 37 TYR 0.648 0.065 2 0 "[ . 1 . 2]"
1 38 HIS 0.618 0.051 4 0 "[ . 1 . 2]"
1 41 ILE 0.276 0.031 3 0 "[ . 1 . 2]"
1 42 ASN 0.373 0.025 1 0 "[ . 1 . 2]"
1 45 ILE 0.276 0.031 3 0 "[ . 1 . 2]"
1 46 HIS 0.373 0.025 1 0 "[ . 1 . 2]"
1 51 LYS 0.648 0.065 2 0 "[ . 1 . 2]"
1 53 MET 0.525 0.033 10 0 "[ . 1 . 2]"
1 59 THR 0.088 0.025 19 0 "[ . 1 . 2]"
1 61 LYS 0.909 0.069 14 0 "[ . 1 . 2]"
1 92 PHE 0.218 0.035 4 0 "[ . 1 . 2]"
1 93 LEU 0.909 0.069 14 0 "[ . 1 . 2]"
1 94 ILE 0.971 0.082 19 0 "[ . 1 . 2]"
1 95 VAL 0.088 0.025 19 0 "[ . 1 . 2]"
1 102 TRP 0.971 0.082 19 0 "[ . 1 . 2]"
1 104 PHE 0.218 0.035 4 0 "[ . 1 . 2]"
1 105 GLU 0.707 0.041 2 0 "[ . 1 . 2]"
1 110 GLU 0.362 0.047 11 0 "[ . 1 . 2]"
1 111 GLU 0.067 0.023 4 0 "[ . 1 . 2]"
1 112 ARG 0.039 0.015 4 0 "[ . 1 . 2]"
1 113 ASP 0.025 0.009 11 0 "[ . 1 . 2]"
1 114 ALA 0.841 0.047 11 0 "[ . 1 . 2]"
1 115 TRP 0.112 0.023 4 0 "[ . 1 . 2]"
1 116 VAL 0.712 0.049 17 0 "[ . 1 . 2]"
1 117 GLN 0.025 0.009 11 0 "[ . 1 . 2]"
1 118 ALA 0.489 0.033 9 0 "[ . 1 . 2]"
1 119 ILE 0.177 0.024 20 0 "[ . 1 . 2]"
1 120 GLU 0.676 0.049 17 0 "[ . 1 . 2]"
1 121 SER 0.033 0.010 2 0 "[ . 1 . 2]"
1 122 GLN 0.080 0.013 2 0 "[ . 1 . 2]"
1 123 ILE 0.132 0.024 20 0 "[ . 1 . 2]"
1 124 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 125 ALA 0.033 0.010 2 0 "[ . 1 . 2]"
1 126 SER 0.069 0.013 2 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 41 ILE O 1 45 ILE N 3.300 2.200 3.300 2.754 2.730 2.794 . 0 0 "[ . 1 . 2]" 2
2 1 41 ILE O 1 45 ILE H 2.200 . 2.200 1.790 1.769 1.828 0.031 3 0 "[ . 1 . 2]" 2
3 1 42 ASN O 1 46 HIS N 3.300 2.200 3.300 3.043 3.026 3.061 . 0 0 "[ . 1 . 2]" 2
4 1 42 ASN O 1 46 HIS H 2.200 . 2.200 2.219 2.209 2.225 0.025 1 0 "[ . 1 . 2]" 2
5 1 110 GLU O 1 114 ALA N 3.300 2.200 3.300 3.151 2.975 3.220 . 0 0 "[ . 1 . 2]" 2
6 1 110 GLU O 1 114 ALA H 2.200 . 2.200 2.208 2.032 2.247 0.047 11 0 "[ . 1 . 2]" 2
7 1 111 GLU O 1 115 TRP N 3.300 2.200 3.300 2.807 2.735 2.942 . 0 0 "[ . 1 . 2]" 2
8 1 111 GLU O 1 115 TRP H 2.200 . 2.200 1.833 1.777 1.964 0.023 4 0 "[ . 1 . 2]" 2
9 1 112 ARG O 1 116 VAL N 3.300 2.200 3.300 3.035 2.844 3.188 . 0 0 "[ . 1 . 2]" 2
10 1 112 ARG O 1 116 VAL H 2.200 . 2.200 2.076 1.875 2.215 0.015 4 0 "[ . 1 . 2]" 2
11 1 113 ASP O 1 117 GLN N 3.300 2.200 3.300 2.765 2.647 3.036 . 0 0 "[ . 1 . 2]" 2
12 1 113 ASP O 1 117 GLN H 2.200 . 2.200 1.907 1.791 2.204 0.009 11 0 "[ . 1 . 2]" 2
13 1 114 ALA O 1 118 ALA N 3.300 2.200 3.300 2.546 2.506 2.638 . 0 0 "[ . 1 . 2]" 2
14 1 114 ALA O 1 118 ALA H 2.200 . 2.200 1.776 1.767 1.790 0.033 9 0 "[ . 1 . 2]" 2
15 1 115 TRP O 1 119 ILE N 3.300 2.200 3.300 2.777 2.731 2.887 . 0 0 "[ . 1 . 2]" 2
16 1 115 TRP O 1 119 ILE H 2.200 . 2.200 1.825 1.780 1.919 0.020 2 0 "[ . 1 . 2]" 2
17 1 116 VAL O 1 120 GLU N 3.300 2.200 3.300 3.178 3.141 3.211 . 0 0 "[ . 1 . 2]" 2
18 1 116 VAL O 1 120 GLU H 2.200 . 2.200 2.234 2.214 2.249 0.049 17 0 "[ . 1 . 2]" 2
19 1 117 GLN O 1 121 SER N 3.300 2.200 3.300 2.679 2.594 2.829 . 0 0 "[ . 1 . 2]" 2
20 1 117 GLN O 1 121 SER H 2.200 . 2.200 1.905 1.823 2.027 . 0 0 "[ . 1 . 2]" 2
21 1 118 ALA O 1 122 GLN N 3.300 2.200 3.300 2.872 2.720 2.961 . 0 0 "[ . 1 . 2]" 2
22 1 118 ALA O 1 122 GLN H 2.200 . 2.200 1.963 1.789 2.083 0.011 17 0 "[ . 1 . 2]" 2
23 1 119 ILE O 1 123 ILE N 3.300 2.200 3.300 3.044 2.968 3.085 . 0 0 "[ . 1 . 2]" 2
24 1 119 ILE O 1 123 ILE H 2.200 . 2.200 2.177 2.036 2.224 0.024 20 0 "[ . 1 . 2]" 2
25 1 120 GLU O 1 124 LEU N 3.300 2.200 3.300 2.904 2.758 3.080 . 0 0 "[ . 1 . 2]" 2
26 1 120 GLU O 1 124 LEU H 2.200 . 2.200 2.039 1.879 2.202 0.002 17 0 "[ . 1 . 2]" 2
27 1 121 SER O 1 125 ALA N 3.300 2.200 3.300 3.041 2.919 3.130 . 0 0 "[ . 1 . 2]" 2
28 1 121 SER O 1 125 ALA H 2.200 . 2.200 2.146 2.036 2.210 0.010 2 0 "[ . 1 . 2]" 2
29 1 122 GLN O 1 126 SER N 3.300 2.200 3.300 2.986 2.829 3.075 . 0 0 "[ . 1 . 2]" 2
30 1 122 GLN O 1 126 SER H 2.200 . 2.200 2.176 2.037 2.213 0.013 2 0 "[ . 1 . 2]" 2
31 1 6 LYS O 1 29 LEU H 2.200 . 2.200 1.652 1.633 1.748 0.167 9 0 "[ . 1 . 2]" 2
32 1 6 LYS O 1 29 LEU N 3.300 2.200 3.300 2.613 2.568 2.721 . 0 0 "[ . 1 . 2]" 2
33 1 6 LYS H 1 29 LEU O 2.200 . 2.200 2.273 2.250 2.310 0.110 12 0 "[ . 1 . 2]" 2
34 1 6 LYS N 1 29 LEU O 3.300 2.200 3.300 3.101 3.034 3.162 . 0 0 "[ . 1 . 2]" 2
35 1 8 SER O 1 27 VAL H 2.200 . 2.200 1.879 1.787 1.980 0.013 8 0 "[ . 1 . 2]" 2
36 1 8 SER O 1 27 VAL N 3.300 2.200 3.300 2.833 2.739 2.931 . 0 0 "[ . 1 . 2]" 2
37 1 8 SER H 1 27 VAL O 2.200 . 2.200 2.010 1.967 2.068 . 0 0 "[ . 1 . 2]" 2
38 1 8 SER N 1 27 VAL O 3.300 2.200 3.300 2.875 2.794 2.915 . 0 0 "[ . 1 . 2]" 2
39 1 10 LEU H 1 25 LYS O 2.200 . 2.200 2.163 1.814 2.209 0.009 16 0 "[ . 1 . 2]" 2
40 1 10 LEU N 1 25 LYS O 3.300 2.200 3.300 2.995 2.628 3.086 . 0 0 "[ . 1 . 2]" 2
41 1 10 LEU O 1 25 LYS H 2.200 . 2.200 1.821 1.773 1.962 0.027 16 0 "[ . 1 . 2]" 2
42 1 10 LEU O 1 25 LYS N 3.300 2.200 3.300 2.586 2.524 2.669 . 0 0 "[ . 1 . 2]" 2
43 1 12 LYS H 1 23 LYS O 2.200 . 2.200 2.111 2.018 2.205 0.005 2 0 "[ . 1 . 2]" 2
44 1 12 LYS N 1 23 LYS O 3.300 2.200 3.300 3.012 2.941 3.100 . 0 0 "[ . 1 . 2]" 2
45 1 12 LYS O 1 23 LYS H 2.200 . 2.200 2.071 1.986 2.209 0.009 14 0 "[ . 1 . 2]" 2
46 1 12 LYS O 1 23 LYS N 3.300 2.200 3.300 2.984 2.889 3.106 . 0 0 "[ . 1 . 2]" 2
47 1 28 THR H 1 36 LEU O 2.200 . 2.200 1.797 1.772 1.870 0.028 12 0 "[ . 1 . 2]" 2
48 1 28 THR N 1 36 LEU O 3.300 2.200 3.300 2.748 2.671 2.822 . 0 0 "[ . 1 . 2]" 2
49 1 28 THR O 1 36 LEU H 2.200 . 2.200 2.240 2.217 2.259 0.059 17 0 "[ . 1 . 2]" 2
50 1 28 THR O 1 36 LEU N 3.300 2.200 3.300 3.207 3.187 3.229 . 0 0 "[ . 1 . 2]" 2
51 1 26 TYR O 1 38 HIS H 2.200 . 2.200 1.776 1.749 1.860 0.051 4 0 "[ . 1 . 2]" 2
52 1 26 TYR O 1 38 HIS N 3.300 2.200 3.300 2.695 2.598 2.725 . 0 0 "[ . 1 . 2]" 2
53 1 26 TYR H 1 38 HIS O 2.200 . 2.200 2.142 1.911 2.223 0.023 4 0 "[ . 1 . 2]" 2
54 1 26 TYR N 1 38 HIS O 3.300 2.200 3.300 3.022 2.788 3.121 . 0 0 "[ . 1 . 2]" 2
55 1 35 LEU O 1 53 MET H 2.200 . 2.200 1.879 1.774 2.216 0.026 18 0 "[ . 1 . 2]" 2
56 1 35 LEU O 1 53 MET N 3.300 2.200 3.300 2.786 2.689 3.008 . 0 0 "[ . 1 . 2]" 2
57 1 35 LEU H 1 53 MET O 2.200 . 2.200 2.212 2.156 2.233 0.033 10 0 "[ . 1 . 2]" 2
58 1 35 LEU N 1 53 MET O 3.300 2.200 3.300 3.173 3.121 3.194 . 0 0 "[ . 1 . 2]" 2
59 1 37 TYR O 1 51 LYS H 2.200 . 2.200 2.232 2.215 2.265 0.065 2 0 "[ . 1 . 2]" 2
60 1 37 TYR O 1 51 LYS N 3.300 2.200 3.300 3.007 2.903 3.065 . 0 0 "[ . 1 . 2]" 2
61 1 37 TYR H 1 51 LYS O 2.200 . 2.200 1.881 1.795 2.201 0.005 5 0 "[ . 1 . 2]" 2
62 1 37 TYR N 1 51 LYS O 3.300 2.200 3.300 2.796 2.687 3.049 . 0 0 "[ . 1 . 2]" 2
63 1 61 LYS O 1 93 LEU H 2.200 . 2.200 1.827 1.771 1.930 0.029 14 0 "[ . 1 . 2]" 2
64 1 61 LYS O 1 93 LEU N 3.300 2.200 3.300 2.674 2.581 2.854 . 0 0 "[ . 1 . 2]" 2
65 1 61 LYS H 1 93 LEU O 2.200 . 2.200 2.240 2.213 2.269 0.069 14 0 "[ . 1 . 2]" 2
66 1 61 LYS N 1 93 LEU O 3.300 2.200 3.300 3.148 3.060 3.185 . 0 0 "[ . 1 . 2]" 2
67 1 59 THR O 1 95 VAL H 2.200 . 2.200 1.914 1.775 2.136 0.025 19 0 "[ . 1 . 2]" 2
68 1 59 THR O 1 95 VAL N 3.300 2.200 3.300 2.880 2.741 3.079 . 0 0 "[ . 1 . 2]" 2
69 1 59 THR H 1 95 VAL O 2.200 . 2.200 1.901 1.783 2.022 0.017 17 0 "[ . 1 . 2]" 2
70 1 59 THR N 1 95 VAL O 3.300 2.200 3.300 2.804 2.675 2.948 . 0 0 "[ . 1 . 2]" 2
71 1 11 LEU O 1 105 GLU H 2.200 . 2.200 2.124 1.828 2.212 0.012 13 0 "[ . 1 . 2]" 2
72 1 11 LEU O 1 105 GLU N 3.300 2.200 3.300 2.848 2.654 2.958 . 0 0 "[ . 1 . 2]" 2
73 1 11 LEU H 1 105 GLU O 2.200 . 2.200 2.232 2.218 2.241 0.041 2 0 "[ . 1 . 2]" 2
74 1 11 LEU N 1 105 GLU O 3.300 2.200 3.300 3.180 3.144 3.208 . 0 0 "[ . 1 . 2]" 2
75 1 92 PHE H 1 104 PHE O 2.200 . 2.200 2.206 2.101 2.235 0.035 4 0 "[ . 1 . 2]" 2
76 1 92 PHE N 1 104 PHE O 3.300 2.200 3.300 3.036 2.937 3.126 . 0 0 "[ . 1 . 2]" 2
77 1 92 PHE O 1 104 PHE H 2.200 . 2.200 2.061 1.988 2.154 . 0 0 "[ . 1 . 2]" 2
78 1 92 PHE O 1 104 PHE N 3.300 2.200 3.300 3.003 2.920 3.105 . 0 0 "[ . 1 . 2]" 2
79 1 94 ILE H 1 102 TRP O 2.200 . 2.200 1.921 1.800 2.072 0.000 1 0 "[ . 1 . 2]" 2
80 1 94 ILE N 1 102 TRP O 3.300 2.200 3.300 2.777 2.694 2.886 . 0 0 "[ . 1 . 2]" 2
81 1 94 ILE O 1 102 TRP H 2.200 . 2.200 1.751 1.718 1.770 0.082 19 0 "[ . 1 . 2]" 2
82 1 94 ILE O 1 102 TRP N 3.300 2.200 3.300 2.688 2.655 2.714 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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