NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
610875 |
2n9w   |
18562 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n9w
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 780
_Distance_constraint_stats_list.Viol_count 808
_Distance_constraint_stats_list.Viol_total 2438.496
_Distance_constraint_stats_list.Viol_max 2.300
_Distance_constraint_stats_list.Viol_rms 0.0673
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.1509
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 10.539 1.858 20 3 "[ - . 1 * . +]"
1 5 PHE 6.034 1.916 1 1 "[+ . 1 . 2]"
1 6 THR 4.200 0.452 18 0 "[ . 1 . 2]"
1 7 VAL 6.386 0.452 18 0 "[ . 1 . 2]"
1 8 GLN 2.041 0.372 16 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.888 0.162 4 0 "[ . 1 . 2]"
1 11 LYS 2.684 0.372 16 0 "[ . 1 . 2]"
1 12 GLU 0.401 0.101 10 0 "[ . 1 . 2]"
1 13 ARG 0.237 0.102 12 0 "[ . 1 . 2]"
1 14 ALA 1.661 0.320 16 0 "[ . 1 . 2]"
1 15 LYS 6.712 0.332 18 0 "[ . 1 . 2]"
1 16 VAL 0.706 0.145 16 0 "[ . 1 . 2]"
1 17 PHE 0.115 0.072 1 0 "[ . 1 . 2]"
1 18 ALA 0.115 0.072 1 0 "[ . 1 . 2]"
1 19 LYS 1.343 0.194 4 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.286 0.132 14 0 "[ . 1 . 2]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLN 0.710 0.219 15 0 "[ . 1 . 2]"
1 27 GLY 0.189 0.134 14 0 "[ . 1 . 2]"
1 28 ILE 2.067 0.207 10 0 "[ . 1 . 2]"
1 29 LEU 3.026 0.310 15 0 "[ . 1 . 2]"
1 30 ASP 1.098 0.219 15 0 "[ . 1 . 2]"
1 31 GLN 4.653 2.076 1 1 "[+ . 1 . 2]"
1 32 LEU 7.792 1.515 1 1 "[+ . 1 . 2]"
1 33 ASP 0.551 0.200 4 0 "[ . 1 . 2]"
1 34 LEU 1.009 0.157 4 0 "[ . 1 . 2]"
1 35 VAL 17.507 1.791 1 4 "[+* . 1 - . *]"
1 36 HIS 0.090 0.027 7 0 "[ . 1 . 2]"
1 37 GLN 0.005 0.005 11 0 "[ . 1 . 2]"
1 38 ALA 3.155 1.128 1 1 "[+ . 1 . 2]"
1 39 LYS 2.872 0.433 6 0 "[ . 1 . 2]"
1 41 ARG 4.568 0.815 9 1 "[ . +1 . 2]"
1 42 ASP 4.099 0.815 9 1 "[ . +1 . 2]"
1 43 GLN 3.492 0.433 6 0 "[ . 1 . 2]"
1 44 ILE 10.395 2.300 1 2 "[+ . 1 - . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ALA 15.164 2.076 1 2 "[+ . 1 - . 2]"
1 47 SER 9.623 2.124 1 2 "[+ . 1 . -]"
1 48 PHE 0.388 0.146 18 0 "[ . 1 . 2]"
1 49 GLU 0.970 0.182 1 0 "[ . 1 . 2]"
1 50 LEU 8.327 1.916 1 2 "[+ . - 1 . 2]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 2.555 0.462 14 0 "[ . 1 . 2]"
1 53 LYS 7.873 0.705 7 1 "[ . + 1 . 2]"
1 54 ILE 8.150 0.823 1 1 "[+ . 1 . 2]"
1 55 ASN 2.294 0.156 10 0 "[ . 1 . 2]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 TYR 0.284 0.262 1 0 "[ . 1 . 2]"
1 58 ILE 1.178 0.225 18 0 "[ . 1 . 2]"
1 59 ALA 0.144 0.144 19 0 "[ . 1 . 2]"
1 60 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.065 0.027 20 0 "[ . 1 . 2]"
1 62 PRO 0.144 0.144 19 0 "[ . 1 . 2]"
1 63 THR 0.027 0.027 20 0 "[ . 1 . 2]"
1 64 SER 0.038 0.021 20 0 "[ . 1 . 2]"
1 66 ARG 0.551 0.145 16 0 "[ . 1 . 2]"
1 67 ASN 0.597 0.109 20 0 "[ . 1 . 2]"
1 68 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 1.437 0.162 4 0 "[ . 1 . 2]"
1 70 LEU 3.682 0.322 11 0 "[ . 1 . 2]"
1 71 THR 0.143 0.051 13 0 "[ . 1 . 2]"
1 72 GLN 3.898 0.351 10 0 "[ . 1 . 2]"
1 73 LEU 5.842 1.404 1 1 "[+ . 1 . 2]"
1 74 LYS 2.152 0.327 1 0 "[ . 1 . 2]"
1 75 GLU 0.976 0.183 1 0 "[ . 1 . 2]"
1 76 GLN 0.433 0.219 2 0 "[ . 1 . 2]"
1 77 VAL 12.997 2.124 1 5 "[+* - 1 * . *]"
1 78 THR 3.647 1.098 1 1 "[+ . 1 . 2]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 9.043 2.021 5 4 "[ - + 1 * . *]"
1 81 LEU 11.872 2.300 1 2 "[+ - 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LEU 2.780 1.098 1 1 "[+ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLN HA 1 3 GLN QG 2.550 . 3.300 2.468 2.241 3.299 . 0 0 "[ . 1 . 2]" 1
2 1 4 ILE H 1 4 ILE MG 3.650 . 5.500 3.050 2.781 3.092 . 0 0 "[ . 1 . 2]" 1
3 1 4 ILE HA 1 4 ILE HB 2.250 . 2.700 2.948 2.617 2.992 0.292 17 0 "[ . 1 . 2]" 1
4 1 4 ILE HA 1 4 ILE MG 2.800 . 3.800 2.308 2.160 2.444 . 0 0 "[ . 1 . 2]" 1
5 1 4 ILE HA 1 4 ILE MG 2.500 . 3.200 2.248 2.089 2.315 . 0 0 "[ . 1 . 2]" 1
6 1 4 ILE HA 1 5 PHE H 3.400 . 5.000 2.235 2.161 2.380 . 0 0 "[ . 1 . 2]" 1
7 1 4 ILE HA 1 77 VAL HA 3.900 . 6.000 4.438 2.255 4.774 . 0 0 "[ . 1 . 2]" 1
8 1 4 ILE HB 1 4 ILE MD 2.500 . 3.200 2.435 2.253 3.199 . 0 0 "[ . 1 . 2]" 1
9 1 4 ILE HB 1 5 PHE H 3.400 . 5.000 3.865 2.516 4.185 . 0 0 "[ . 1 . 2]" 1
10 1 4 ILE MD 1 4 ILE MG 2.750 . 3.700 2.031 1.793 3.178 0.007 12 0 "[ . 1 . 2]" 1
11 1 4 ILE MD 1 4 ILE MG 2.750 . 3.700 1.961 1.778 3.114 0.022 7 0 "[ . 1 . 2]" 1
12 1 4 ILE MD 1 5 PHE H 3.650 . 5.500 4.371 3.447 4.857 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE MD 1 35 VAL H 3.650 . 5.500 2.338 1.997 2.706 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE MD 1 35 VAL QG 2.750 . 3.700 2.525 1.808 3.690 . 0 0 "[ . 1 . 2]" 1
15 1 4 ILE MD 1 36 HIS HA 3.650 . 5.500 3.132 2.654 3.496 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE MD 1 43 GLN QG 3.650 . 5.500 2.471 2.096 3.484 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE MD 1 77 VAL HB 3.650 . 5.500 4.431 2.240 5.116 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE MD 1 35 VAL QG 2.750 . 3.700 2.317 1.781 2.927 0.019 20 0 "[ . 1 . 2]" 1
19 1 4 ILE MD 1 77 VAL QG 2.750 . 3.700 3.146 1.959 4.011 0.311 2 0 "[ . 1 . 2]" 1
20 1 4 ILE MD 1 80 ALA H 3.650 . 5.500 4.172 3.681 4.486 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE MD 1 80 ALA MB 2.750 . 3.700 3.411 2.171 5.558 1.858 20 3 "[ - . 1 * . +]" 1
22 1 4 ILE MG 1 5 PHE QB 4.150 . 6.500 3.586 2.864 4.862 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE MG 1 32 LEU QD 2.750 . 3.700 2.831 1.870 3.715 0.015 16 0 "[ . 1 . 2]" 1
24 1 4 ILE MG 1 35 VAL HB 4.150 . 6.500 4.550 3.500 5.769 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE MG 1 35 VAL HB 4.150 . 6.500 3.916 2.471 5.400 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MG 1 35 VAL QG 2.750 . 3.700 2.676 1.920 3.711 0.011 20 0 "[ . 1 . 2]" 1
27 1 4 ILE MG 1 73 LEU QD 2.750 . 3.700 3.041 1.986 3.959 0.259 1 0 "[ . 1 . 2]" 1
28 1 4 ILE MG 1 76 GLN QG 3.650 . 5.500 4.330 3.403 5.719 0.219 2 0 "[ . 1 . 2]" 1
29 1 5 PHE H 1 5 PHE QB 3.400 . 5.000 2.267 2.058 2.418 . 0 0 "[ . 1 . 2]" 1
30 1 5 PHE H 1 73 LEU QD 3.650 . 5.500 3.127 2.029 4.361 . 0 0 "[ . 1 . 2]" 1
31 1 5 PHE H 1 73 LEU HG 3.400 . 5.000 4.662 2.724 5.066 0.066 10 0 "[ . 1 . 2]" 1
32 1 5 PHE H 1 76 GLN QB 3.400 . 5.000 4.068 2.858 5.029 0.029 1 0 "[ . 1 . 2]" 1
33 1 5 PHE H 1 77 VAL QG 3.650 . 5.500 4.820 2.952 5.607 0.107 14 0 "[ . 1 . 2]" 1
34 1 5 PHE HA 1 6 THR H 3.400 . 5.000 2.211 2.126 2.465 . 0 0 "[ . 1 . 2]" 1
35 1 5 PHE QB 1 6 THR H 3.400 . 5.000 3.145 2.972 3.529 . 0 0 "[ . 1 . 2]" 1
36 1 5 PHE QB 1 10 LEU QB 3.400 . 5.000 2.545 2.235 2.980 . 0 0 "[ . 1 . 2]" 1
37 1 5 PHE QB 1 7 VAL QG 4.150 . 6.500 5.178 4.840 5.443 . 0 0 "[ . 1 . 2]" 1
38 1 5 PHE QB 1 9 GLU QB 3.900 . 6.000 3.547 3.002 4.836 . 0 0 "[ . 1 . 2]" 1
39 1 5 PHE QB 1 9 GLU QB 3.900 . 6.000 3.466 2.990 3.967 . 0 0 "[ . 1 . 2]" 1
40 1 5 PHE QB 1 10 LEU QD 4.150 . 6.500 3.179 2.180 5.336 . 0 0 "[ . 1 . 2]" 1
41 1 5 PHE QB 1 32 LEU QB 3.900 . 6.000 5.546 4.215 6.105 0.105 16 0 "[ . 1 . 2]" 1
42 1 5 PHE QB 1 32 LEU QD 4.150 . 6.500 3.050 2.233 3.663 . 0 0 "[ . 1 . 2]" 1
43 1 5 PHE QB 1 35 VAL QG 4.150 . 6.500 6.191 4.747 6.698 0.198 10 0 "[ . 1 . 2]" 1
44 1 5 PHE QB 1 50 LEU QD 4.150 . 6.500 6.363 5.580 8.416 1.916 1 1 "[+ . 1 . 2]" 1
45 1 5 PHE QB 1 54 ILE MD 4.150 . 6.500 6.572 6.198 7.323 0.823 1 1 "[+ . 1 . 2]" 1
46 1 5 PHE QB 1 73 LEU QD 3.650 . 3.800 2.487 1.825 3.874 0.074 13 0 "[ . 1 . 2]" 1
47 1 6 THR H 1 6 THR MG 3.650 . 5.500 3.365 2.527 3.757 . 0 0 "[ . 1 . 2]" 1
48 1 6 THR H 1 9 GLU H 3.400 . 5.000 4.321 3.723 4.762 . 0 0 "[ . 1 . 2]" 1
49 1 6 THR H 1 9 GLU QB 3.400 . 5.000 3.285 2.579 4.368 . 0 0 "[ . 1 . 2]" 1
50 1 6 THR HA 1 6 THR MG 2.500 . 3.200 2.270 2.233 2.304 . 0 0 "[ . 1 . 2]" 1
51 1 6 THR HA 1 7 VAL H 3.400 . 5.000 2.311 2.227 2.433 . 0 0 "[ . 1 . 2]" 1
52 1 6 THR HA 1 8 GLN H 3.400 . 5.000 4.262 3.907 4.549 . 0 0 "[ . 1 . 2]" 1
53 1 6 THR HB 1 7 VAL H 3.400 . 5.000 3.330 2.430 3.823 . 0 0 "[ . 1 . 2]" 1
54 1 6 THR HB 1 7 VAL HA 3.400 . 5.000 4.980 4.682 5.108 0.108 7 0 "[ . 1 . 2]" 1
55 1 6 THR HB 1 8 GLN H 3.400 . 5.000 3.192 2.309 3.872 . 0 0 "[ . 1 . 2]" 1
56 1 6 THR MG 1 7 VAL H 3.650 . 5.500 1.809 1.627 1.936 0.173 6 0 "[ . 1 . 2]" 1
57 1 6 THR MG 1 7 VAL QG 2.750 . 3.700 3.207 2.159 4.152 0.452 18 0 "[ . 1 . 2]" 1
58 1 6 THR MG 1 8 GLN H 3.650 . 5.500 1.956 1.711 3.080 0.089 7 0 "[ . 1 . 2]" 1
59 1 6 THR MG 1 8 GLN QG 4.150 . 6.500 3.263 2.227 4.284 . 0 0 "[ . 1 . 2]" 1
60 1 6 THR MG 1 9 GLU H 3.650 . 5.500 3.390 2.767 4.166 . 0 0 "[ . 1 . 2]" 1
61 1 6 THR MG 1 10 LEU QB 4.150 . 6.500 3.318 2.765 3.950 . 0 0 "[ . 1 . 2]" 1
62 1 6 THR MG 1 32 LEU QB 3.650 . 5.500 2.517 1.897 3.762 . 0 0 "[ . 1 . 2]" 1
63 1 6 THR MG 1 32 LEU QB 3.650 . 5.500 5.305 4.091 5.702 0.202 7 0 "[ . 1 . 2]" 1
64 1 7 VAL H 1 7 VAL HB 3.400 . 5.000 2.768 2.373 3.595 . 0 0 "[ . 1 . 2]" 1
65 1 7 VAL H 1 7 VAL QG 3.650 . 5.500 1.988 1.748 2.278 0.052 6 0 "[ . 1 . 2]" 1
66 1 7 VAL H 1 8 GLN H 3.400 . 5.000 2.672 2.555 2.739 . 0 0 "[ . 1 . 2]" 1
67 1 7 VAL HA 1 7 VAL QG 2.500 . 3.200 2.182 2.054 2.338 . 0 0 "[ . 1 . 2]" 1
68 1 7 VAL HA 1 8 GLN H 3.400 . 5.000 3.528 3.445 3.563 . 0 0 "[ . 1 . 2]" 1
69 1 7 VAL HA 1 10 LEU QB 3.400 . 5.000 2.606 2.257 3.261 . 0 0 "[ . 1 . 2]" 1
70 1 7 VAL HA 1 29 LEU QD 3.650 . 5.500 3.471 2.304 5.163 . 0 0 "[ . 1 . 2]" 1
71 1 7 VAL QG 1 8 GLN H 3.650 . 5.500 2.521 1.811 3.433 . 0 0 "[ . 1 . 2]" 1
72 1 7 VAL QG 1 8 GLN HA 3.650 . 5.500 3.108 2.848 3.676 . 0 0 "[ . 1 . 2]" 1
73 1 7 VAL QG 1 11 LYS QD 2.800 . 3.800 3.308 2.268 3.943 0.143 20 0 "[ . 1 . 2]" 1
74 1 7 VAL QG 1 11 LYS QE 2.800 . 3.800 2.872 2.089 4.017 0.217 18 0 "[ . 1 . 2]" 1
75 1 7 VAL QG 1 11 LYS QE 2.800 . 3.800 2.527 2.076 3.448 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL QG 1 29 LEU H 3.650 . 5.500 5.002 4.079 5.616 0.116 4 0 "[ . 1 . 2]" 1
77 1 7 VAL QG 1 29 LEU HA 2.800 . 3.800 3.153 2.296 3.808 0.008 8 0 "[ . 1 . 2]" 1
78 1 7 VAL QG 1 29 LEU QB 2.800 . 3.800 2.837 1.903 3.930 0.130 2 0 "[ . 1 . 2]" 1
79 1 7 VAL QG 1 29 LEU QD 2.750 . 3.700 2.133 1.769 3.214 0.031 17 0 "[ . 1 . 2]" 1
80 1 7 VAL QG 1 29 LEU HG 2.800 . 3.800 2.907 2.028 4.110 0.310 15 0 "[ . 1 . 2]" 1
81 1 7 VAL QG 1 31 GLN H 3.650 . 5.500 4.210 3.772 4.802 . 0 0 "[ . 1 . 2]" 1
82 1 7 VAL QG 1 32 LEU H 3.650 . 5.500 2.901 2.023 3.608 . 0 0 "[ . 1 . 2]" 1
83 1 7 VAL QG 1 32 LEU QB 3.650 . 3.800 2.527 1.899 3.828 0.028 8 0 "[ . 1 . 2]" 1
84 1 7 VAL QG 1 32 LEU QD 3.050 . 4.300 2.798 2.038 4.525 0.225 8 0 "[ . 1 . 2]" 1
85 1 7 VAL QG 1 33 ASP H 3.650 . 5.500 3.456 2.702 4.396 . 0 0 "[ . 1 . 2]" 1
86 1 7 VAL QG 1 33 ASP H 3.650 . 5.500 3.601 2.738 4.784 . 0 0 "[ . 1 . 2]" 1
87 1 7 VAL QG 1 33 ASP HA 3.650 . 5.500 3.882 2.736 4.931 . 0 0 "[ . 1 . 2]" 1
88 1 8 GLN H 1 8 GLN QB 3.400 . 5.000 2.349 2.185 2.766 . 0 0 "[ . 1 . 2]" 1
89 1 8 GLN H 1 8 GLN QG 3.400 . 5.000 2.947 1.748 4.054 0.052 8 0 "[ . 1 . 2]" 1
90 1 8 GLN H 1 9 GLU H 3.400 . 5.000 2.794 2.709 2.938 . 0 0 "[ . 1 . 2]" 1
91 1 8 GLN HA 1 8 GLN QB 2.550 . 2.700 2.387 2.192 2.466 . 0 0 "[ . 1 . 2]" 1
92 1 8 GLN HA 1 8 GLN QG 2.550 . 3.300 2.441 2.270 3.218 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLN HA 1 12 GLU H 3.400 . 5.000 3.158 3.012 3.291 . 0 0 "[ . 1 . 2]" 1
94 1 8 GLN HA 1 11 LYS QB 2.250 . 2.700 2.256 2.057 2.391 . 0 0 "[ . 1 . 2]" 1
95 1 8 GLN QG 1 11 LYS QG 3.400 . 5.000 4.903 3.641 5.372 0.372 16 0 "[ . 1 . 2]" 1
96 1 8 GLN QG 1 29 LEU QD 4.150 . 6.500 3.977 2.578 5.013 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 9 GLU QB 3.400 . 5.000 2.298 2.225 2.415 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 10 LEU H 3.400 . 5.000 2.607 2.517 2.806 . 0 0 "[ . 1 . 2]" 1
99 1 9 GLU H 1 11 LYS H 3.400 . 5.000 2.702 2.652 2.768 . 0 0 "[ . 1 . 2]" 1
100 1 10 LEU H 1 10 LEU QD 3.650 . 5.500 2.795 1.804 3.422 . 0 0 "[ . 1 . 2]" 1
101 1 10 LEU H 1 32 LEU QD 3.650 . 5.500 2.235 2.134 2.320 . 0 0 "[ . 1 . 2]" 1
102 1 10 LEU HA 1 10 LEU QB 2.550 . 3.300 2.279 2.163 2.343 . 0 0 "[ . 1 . 2]" 1
103 1 10 LEU HA 1 10 LEU QD 2.500 . 3.200 2.142 1.962 2.372 . 0 0 "[ . 1 . 2]" 1
104 1 10 LEU HA 1 11 LYS H 3.400 . 5.000 3.492 3.405 3.532 . 0 0 "[ . 1 . 2]" 1
105 1 10 LEU HA 1 13 ARG H 3.400 . 5.000 3.408 3.116 3.613 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU HA 1 13 ARG QG 3.400 . 5.000 4.047 3.044 4.790 . 0 0 "[ . 1 . 2]" 1
107 1 10 LEU QB 1 11 LYS H 3.400 . 5.000 2.198 2.118 2.344 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU QB 1 11 LYS H 3.400 . 5.000 2.345 2.053 2.905 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU QB 1 12 GLU H 3.400 . 5.000 2.548 2.399 2.712 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU QB 1 13 ARG H 3.400 . 5.000 2.335 2.263 2.408 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU QB 1 14 ALA H 3.400 . 5.000 2.685 2.558 2.922 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU QD 1 13 ARG H 3.650 . 5.500 4.441 3.938 4.895 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU QD 1 13 ARG QB 2.750 . 3.700 2.902 2.059 3.666 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU QD 1 13 ARG QD 4.150 . 6.500 3.865 2.210 5.057 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU QD 1 14 ALA H 3.650 . 5.500 4.114 2.999 5.080 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU QD 1 14 ALA MB 3.050 . 4.300 3.310 2.287 4.333 0.033 4 0 "[ . 1 . 2]" 1
117 1 10 LEU QD 1 73 LEU QB 3.650 . 5.500 3.362 2.740 4.062 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU QD 1 69 ALA HA 4.150 . 6.500 4.604 3.589 5.383 . 0 0 "[ . 1 . 2]" 1
119 1 10 LEU QD 1 69 ALA MB 2.750 . 3.700 2.975 1.921 3.862 0.162 4 0 "[ . 1 . 2]" 1
120 1 10 LEU QD 1 70 LEU H 3.650 . 5.500 2.633 1.749 3.336 0.051 13 0 "[ . 1 . 2]" 1
121 1 10 LEU QD 1 70 LEU HA 2.500 . 3.200 2.151 1.954 2.368 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU QD 1 73 LEU QB 3.650 . 5.500 3.459 2.454 4.002 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU QD 1 73 LEU QD 3.050 . 4.300 2.231 1.875 2.975 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU QD 1 73 LEU HG 2.800 . 3.800 3.584 2.484 3.931 0.131 1 0 "[ . 1 . 2]" 1
125 1 10 LEU HG 1 32 LEU QD 3.650 . 5.500 4.425 2.031 5.375 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS H 1 11 LYS QD 3.400 . 5.000 2.680 2.074 3.729 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS H 1 12 GLU H 3.400 . 5.000 2.750 2.707 2.822 . 0 0 "[ . 1 . 2]" 1
128 1 11 LYS HA 1 11 LYS QB 2.550 . 3.300 2.413 2.352 2.479 . 0 0 "[ . 1 . 2]" 1
129 1 11 LYS HA 1 11 LYS QG 2.550 . 3.300 2.306 2.222 2.689 . 0 0 "[ . 1 . 2]" 1
130 1 11 LYS HA 1 14 ALA H 3.400 . 5.000 3.496 3.248 3.832 . 0 0 "[ . 1 . 2]" 1
131 1 11 LYS HA 1 14 ALA MB 2.800 . 3.800 2.402 2.247 2.618 . 0 0 "[ . 1 . 2]" 1
132 1 11 LYS QD 1 11 LYS QG 2.250 . 2.700 2.088 2.027 2.112 . 0 0 "[ . 1 . 2]" 1
133 1 11 LYS QD 1 12 GLU H 3.400 . 5.000 3.809 3.283 4.011 . 0 0 "[ . 1 . 2]" 1
134 1 11 LYS QD 1 29 LEU QD 3.650 . 5.500 2.992 2.149 4.498 . 0 0 "[ . 1 . 2]" 1
135 1 11 LYS QD 1 29 LEU QD 3.650 . 5.500 3.987 2.679 5.604 0.104 13 0 "[ . 1 . 2]" 1
136 1 11 LYS QE 1 11 LYS QG . . 3.300 2.208 2.121 2.541 . 0 0 "[ . 1 . 2]" 1
137 1 11 LYS QE 1 29 LEU QD 4.150 . 6.500 3.130 2.063 5.211 . 0 0 "[ . 1 . 2]" 1
138 1 11 LYS QG 1 29 LEU QD 3.650 . 5.500 3.214 2.162 4.759 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLU H 1 12 GLU QB 3.400 . 5.000 2.312 2.226 2.425 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLU H 1 12 GLU QG 3.400 . 5.000 3.099 2.108 4.051 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLU H 1 13 ARG QB 3.650 . 5.500 4.125 3.972 4.219 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLU H 1 15 LYS H 3.400 . 5.000 4.837 4.601 5.101 0.101 10 0 "[ . 1 . 2]" 1
143 1 12 GLU HA 1 12 GLU QB 2.250 . 2.700 2.392 2.370 2.419 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLU HA 1 12 GLU QB 2.250 . 2.700 2.100 2.025 2.172 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLU QB 1 13 ARG H 3.400 . 5.000 2.413 2.172 2.657 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLU QB 1 13 ARG QB 3.400 . 5.000 4.122 3.683 4.362 . 0 0 "[ . 1 . 2]" 1
147 1 13 ARG H 1 13 ARG QB 3.650 . 5.500 2.329 2.258 2.400 . 0 0 "[ . 1 . 2]" 1
148 1 13 ARG H 1 13 ARG QG 3.400 . 5.000 2.658 2.198 4.052 . 0 0 "[ . 1 . 2]" 1
149 1 13 ARG H 1 14 ALA H 3.400 . 5.000 2.528 2.448 2.570 . 0 0 "[ . 1 . 2]" 1
150 1 13 ARG HA 1 13 ARG QD 3.400 . 5.000 3.618 2.133 4.166 . 0 0 "[ . 1 . 2]" 1
151 1 13 ARG HA 1 13 ARG QD 3.400 . 5.000 3.248 1.977 4.062 . 0 0 "[ . 1 . 2]" 1
152 1 13 ARG HA 1 13 ARG QG 2.250 . 2.700 2.404 2.281 2.802 0.102 12 0 "[ . 1 . 2]" 1
153 1 13 ARG HA 1 13 ARG QG 2.550 . 3.300 2.114 2.049 2.302 . 0 0 "[ . 1 . 2]" 1
154 1 13 ARG HA 1 14 ALA H 3.400 . 5.000 3.505 3.451 3.537 . 0 0 "[ . 1 . 2]" 1
155 1 13 ARG HA 1 16 VAL QG 3.650 . 5.500 3.530 3.106 3.922 . 0 0 "[ . 1 . 2]" 1
156 1 13 ARG QB 1 13 ARG QG 2.250 . 2.700 2.094 2.036 2.109 . 0 0 "[ . 1 . 2]" 1
157 1 13 ARG QB 1 15 LYS H 3.650 . 5.500 2.754 2.179 2.947 . 0 0 "[ . 1 . 2]" 1
158 1 13 ARG QD 1 16 VAL QG 4.150 . 6.500 3.086 2.350 3.858 . 0 0 "[ . 1 . 2]" 1
159 1 13 ARG QD 1 69 ALA MB 2.800 . 3.800 2.912 2.096 3.872 0.072 1 0 "[ . 1 . 2]" 1
160 1 13 ARG QG 1 14 ALA H 3.400 . 5.000 4.067 3.663 4.241 . 0 0 "[ . 1 . 2]" 1
161 1 14 ALA H 1 15 LYS H 3.400 . 5.000 2.544 2.497 2.600 . 0 0 "[ . 1 . 2]" 1
162 1 14 ALA HA 1 15 LYS H 3.400 . 5.000 3.371 3.349 3.514 . 0 0 "[ . 1 . 2]" 1
163 1 14 ALA HA 1 15 LYS QB 3.400 . 5.000 5.081 4.994 5.320 0.320 16 0 "[ . 1 . 2]" 1
164 1 14 ALA HA 1 15 LYS QB 3.400 . 5.000 3.511 2.927 4.660 . 0 0 "[ . 1 . 2]" 1
165 1 14 ALA MB 1 16 VAL QG 4.400 . 7.000 4.031 3.603 4.809 . 0 0 "[ . 1 . 2]" 1
166 1 15 LYS H 1 15 LYS QD 3.650 . 5.500 2.806 1.818 3.445 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS H 1 16 VAL H 3.400 . 5.000 2.742 2.652 2.848 . 0 0 "[ . 1 . 2]" 1
168 1 15 LYS HA 1 15 LYS QB 2.250 . 2.700 2.396 2.369 2.452 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS HA 1 16 VAL H 3.400 . 5.000 3.524 3.341 3.570 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS QB 1 15 LYS QD 2.550 . 3.300 2.159 2.106 2.304 . 0 0 "[ . 1 . 2]" 1
171 1 15 LYS QB 1 15 LYS QE 2.550 . 3.300 3.394 2.183 3.632 0.332 18 0 "[ . 1 . 2]" 1
172 1 15 LYS QD 1 15 LYS QE 2.250 . 2.700 2.070 2.022 2.106 . 0 0 "[ . 1 . 2]" 1
173 1 15 LYS QE 1 15 LYS QG 2.250 . 2.700 2.189 2.102 2.301 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL H 1 16 VAL HB 3.400 . 5.000 3.381 2.408 3.970 . 0 0 "[ . 1 . 2]" 1
175 1 16 VAL H 1 16 VAL QG 3.650 . 5.500 2.377 1.795 3.143 0.005 4 0 "[ . 1 . 2]" 1
176 1 16 VAL HA 1 16 VAL HB 2.550 . 3.300 2.712 2.416 3.030 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL HA 1 16 VAL HB 2.550 . 3.300 2.348 2.168 2.698 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL HA 1 16 VAL QG 2.500 . 3.200 2.176 2.050 2.336 . 0 0 "[ . 1 . 2]" 1
179 1 16 VAL QG 1 17 PHE QB 3.650 . 5.500 3.320 2.386 4.646 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL QG 1 19 LYS QE 4.150 . 6.500 5.375 2.973 6.583 0.083 17 0 "[ . 1 . 2]" 1
181 1 16 VAL QG 1 66 ARG HA 3.650 . 5.500 5.309 4.136 5.645 0.145 16 0 "[ . 1 . 2]" 1
182 1 16 VAL QG 1 66 ARG QD 3.650 . 5.500 3.271 2.342 4.793 . 0 0 "[ . 1 . 2]" 1
183 1 16 VAL QG 1 66 ARG QG 2.800 . 3.800 3.122 1.902 3.887 0.087 20 0 "[ . 1 . 2]" 1
184 1 19 LYS HA 1 19 LYS QD 2.550 . 3.300 2.857 2.084 3.494 0.194 4 0 "[ . 1 . 2]" 1
185 1 19 LYS HA 1 19 LYS QG 2.550 . 3.300 2.581 2.170 3.336 0.036 19 0 "[ . 1 . 2]" 1
186 1 19 LYS HA 1 20 PRO QD 2.550 . 3.300 2.040 1.979 2.088 . 0 0 "[ . 1 . 2]" 1
187 1 19 LYS QB 1 20 PRO QD 3.900 . 6.000 2.793 2.121 3.726 . 0 0 "[ . 1 . 2]" 1
188 1 19 LYS QB 1 21 ILE HA 3.900 . 6.000 5.319 5.038 5.866 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS QE 1 19 LYS QG 2.250 . 2.700 1.996 1.928 2.090 . 0 0 "[ . 1 . 2]" 1
190 1 19 LYS QG 1 20 PRO QD 3.900 . 6.000 3.368 2.302 4.308 . 0 0 "[ . 1 . 2]" 1
191 1 20 PRO HA 1 20 PRO QD 3.900 . 6.000 3.371 3.271 3.458 . 0 0 "[ . 1 . 2]" 1
192 1 20 PRO HA 1 20 PRO QG 3.400 . 5.000 3.151 2.936 3.529 . 0 0 "[ . 1 . 2]" 1
193 1 21 ILE HA 1 21 ILE MD 3.650 . 5.500 3.388 2.087 4.128 . 0 0 "[ . 1 . 2]" 1
194 1 21 ILE HA 1 21 ILE HG12 3.400 . 5.000 3.345 2.560 3.739 . 0 0 "[ . 1 . 2]" 1
195 1 21 ILE HA 1 21 ILE HG13 3.400 . 5.000 3.237 2.338 4.269 . 0 0 "[ . 1 . 2]" 1
196 1 21 ILE HA 1 21 ILE MG 2.800 . 3.800 2.633 2.247 3.200 . 0 0 "[ . 1 . 2]" 1
197 1 21 ILE HA 1 22 GLY H 3.400 . 5.000 2.214 2.150 2.317 . 0 0 "[ . 1 . 2]" 1
198 1 21 ILE HB 1 21 ILE MD 2.800 . 3.800 2.564 2.242 3.236 . 0 0 "[ . 1 . 2]" 1
199 1 21 ILE HB 1 21 ILE HG13 2.550 . 3.300 2.551 2.482 3.040 . 0 0 "[ . 1 . 2]" 1
200 1 21 ILE MD 1 21 ILE MG 2.750 . 3.700 1.997 1.801 3.243 . 0 0 "[ . 1 . 2]" 1
201 1 21 ILE HG13 1 21 ILE MG 2.500 . 3.200 2.885 2.288 3.200 . 0 0 "[ . 1 . 2]" 1
202 1 21 ILE HG13 1 21 ILE MG 2.800 . 3.800 2.717 2.227 3.177 . 0 0 "[ . 1 . 2]" 1
203 1 23 ALA MB 1 26 GLN QG 3.650 . 5.500 4.605 2.864 5.632 0.132 14 0 "[ . 1 . 2]" 1
204 1 25 TYR HA 1 25 TYR QB 2.550 . 3.300 2.333 2.185 2.415 . 0 0 "[ . 1 . 2]" 1
205 1 25 TYR HA 1 25 TYR QB 2.550 . 3.300 2.160 2.031 2.344 . 0 0 "[ . 1 . 2]" 1
206 1 25 TYR HA 1 26 GLN H 3.400 . 5.000 3.472 3.410 3.555 . 0 0 "[ . 1 . 2]" 1
207 1 25 TYR QB 1 26 GLN H 3.400 . 5.000 2.984 2.455 3.682 . 0 0 "[ . 1 . 2]" 1
208 1 26 GLN H 1 26 GLN QB 3.400 . 5.000 2.332 2.220 2.643 . 0 0 "[ . 1 . 2]" 1
209 1 26 GLN H 1 26 GLN QG 3.400 . 5.000 3.158 1.807 4.059 . 0 0 "[ . 1 . 2]" 1
210 1 26 GLN H 1 27 GLY H 3.400 . 5.000 2.626 2.538 2.723 . 0 0 "[ . 1 . 2]" 1
211 1 26 GLN HA 1 27 GLY H 3.400 . 5.000 3.476 3.407 3.552 . 0 0 "[ . 1 . 2]" 1
212 1 26 GLN HA 1 27 GLY QA 3.900 . 6.000 4.489 4.430 4.512 . 0 0 "[ . 1 . 2]" 1
213 1 26 GLN HA 1 29 LEU H 3.400 . 5.000 3.404 2.993 3.896 . 0 0 "[ . 1 . 2]" 1
214 1 26 GLN HA 1 29 LEU QB 3.900 . 5.000 3.217 2.539 5.030 0.030 8 0 "[ . 1 . 2]" 1
215 1 26 GLN HA 1 30 ASP H 3.400 . 5.000 4.330 3.316 5.031 0.031 2 0 "[ . 1 . 2]" 1
216 1 26 GLN QB 1 27 GLY H 3.400 . 5.000 3.077 2.488 3.703 . 0 0 "[ . 1 . 2]" 1
217 1 26 GLN QG 1 27 GLY H 3.400 . 5.000 3.382 1.956 4.383 . 0 0 "[ . 1 . 2]" 1
218 1 26 GLN QG 1 27 GLY QA 3.900 . 6.000 3.692 2.854 5.363 . 0 0 "[ . 1 . 2]" 1
219 1 26 GLN QG 1 30 ASP H 3.400 . 5.000 4.237 3.013 5.219 0.219 15 0 "[ . 1 . 2]" 1
220 1 27 GLY H 1 28 ILE H 3.400 . 5.000 2.670 2.444 2.815 . 0 0 "[ . 1 . 2]" 1
221 1 27 GLY H 1 28 ILE HB 3.400 . 5.000 4.915 4.593 5.134 0.134 14 0 "[ . 1 . 2]" 1
222 1 27 GLY QA 1 28 ILE H 3.400 . 5.000 2.802 2.627 2.876 . 0 0 "[ . 1 . 2]" 1
223 1 28 ILE H 1 28 ILE HB 3.400 . 5.000 2.482 2.379 2.616 . 0 0 "[ . 1 . 2]" 1
224 1 28 ILE H 1 28 ILE MD 3.650 . 5.500 3.698 2.817 4.301 . 0 0 "[ . 1 . 2]" 1
225 1 28 ILE H 1 29 LEU H 3.400 . 5.000 2.539 2.505 2.665 . 0 0 "[ . 1 . 2]" 1
226 1 28 ILE H 1 29 LEU QB 3.400 . 5.000 4.462 4.289 5.176 0.176 8 0 "[ . 1 . 2]" 1
227 1 28 ILE H 1 30 ASP H 3.400 . 5.000 4.028 3.766 4.246 . 0 0 "[ . 1 . 2]" 1
228 1 28 ILE HA 1 28 ILE HB 2.550 . 3.300 2.849 2.501 3.029 . 0 0 "[ . 1 . 2]" 1
229 1 28 ILE HA 1 28 ILE MD 3.650 . 3.800 3.199 2.072 3.830 0.030 11 0 "[ . 1 . 2]" 1
230 1 28 ILE HA 1 29 LEU H 3.400 . 5.000 3.472 3.435 3.543 . 0 0 "[ . 1 . 2]" 1
231 1 28 ILE HA 1 31 GLN H 3.400 . 5.000 4.014 3.843 4.264 . 0 0 "[ . 1 . 2]" 1
232 1 28 ILE HA 1 31 GLN QB 3.400 . 5.000 3.502 3.011 3.941 . 0 0 "[ . 1 . 2]" 1
233 1 28 ILE HA 1 50 LEU QD 3.650 . 5.500 3.505 2.533 5.316 . 0 0 "[ . 1 . 2]" 1
234 1 28 ILE HB 1 28 ILE MD 2.500 . 3.200 2.554 2.203 3.236 0.036 8 0 "[ . 1 . 2]" 1
235 1 28 ILE HB 1 28 ILE HG12 2.550 . 3.300 2.868 2.432 3.035 . 0 0 "[ . 1 . 2]" 1
236 1 28 ILE HB 1 29 LEU H 3.400 . 5.000 3.294 2.560 4.061 . 0 0 "[ . 1 . 2]" 1
237 1 28 ILE MD 1 50 LEU QD 3.050 . 4.300 3.792 1.953 4.507 0.207 10 0 "[ . 1 . 2]" 1
238 1 28 ILE MD 1 57 TYR QB 3.650 . 5.500 4.351 3.028 5.522 0.022 1 0 "[ . 1 . 2]" 1
239 1 28 ILE MD 1 70 LEU QB 3.650 . 5.500 5.128 3.922 5.666 0.166 12 0 "[ . 1 . 2]" 1
240 1 28 ILE MD 1 70 LEU QD 3.050 . 4.300 3.178 2.011 4.334 0.034 1 0 "[ . 1 . 2]" 1
241 1 28 ILE HG12 1 31 GLN QB 3.900 . 6.000 5.551 4.643 6.199 0.199 8 0 "[ . 1 . 2]" 1
242 1 29 LEU H 1 29 LEU QB 3.400 . 5.000 2.346 2.220 2.864 . 0 0 "[ . 1 . 2]" 1
243 1 29 LEU H 1 29 LEU QB 3.400 . 5.000 2.341 2.218 2.850 . 0 0 "[ . 1 . 2]" 1
244 1 29 LEU H 1 29 LEU QD 3.650 . 5.500 3.117 1.782 3.751 0.018 8 0 "[ . 1 . 2]" 1
245 1 29 LEU H 1 29 LEU HG 3.400 . 5.000 3.694 1.896 4.493 . 0 0 "[ . 1 . 2]" 1
246 1 29 LEU H 1 30 ASP H 3.400 . 5.000 2.272 2.198 2.369 . 0 0 "[ . 1 . 2]" 1
247 1 29 LEU H 1 31 GLN H 3.400 . 5.000 3.946 3.643 4.229 . 0 0 "[ . 1 . 2]" 1
248 1 29 LEU HA 1 29 LEU QB 2.550 . 2.700 2.393 2.168 2.499 . 0 0 "[ . 1 . 2]" 1
249 1 29 LEU HA 1 29 LEU QD 2.500 . 3.200 2.440 1.969 3.289 0.089 8 0 "[ . 1 . 2]" 1
250 1 29 LEU HA 1 29 LEU HG 3.400 . 5.000 2.715 2.266 3.627 . 0 0 "[ . 1 . 2]" 1
251 1 29 LEU HA 1 30 ASP H 3.400 . 5.000 3.513 3.417 3.555 . 0 0 "[ . 1 . 2]" 1
252 1 29 LEU HA 1 32 LEU H 3.400 . 5.000 3.398 3.138 3.632 . 0 0 "[ . 1 . 2]" 1
253 1 29 LEU HA 1 32 LEU QB 3.400 . 5.000 2.874 2.378 3.393 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU HA 1 32 LEU HG 3.400 . 5.000 4.007 2.472 5.162 0.162 1 0 "[ . 1 . 2]" 1
255 1 29 LEU HA 1 33 ASP H 3.400 . 5.000 4.668 3.551 5.068 0.068 20 0 "[ . 1 . 2]" 1
256 1 29 LEU QB 1 29 LEU HG 2.550 . 2.700 2.434 2.195 2.568 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU QB 1 30 ASP H 3.400 . 5.000 2.692 2.410 3.355 . 0 0 "[ . 1 . 2]" 1
258 1 29 LEU QB 1 30 ASP H 3.400 . 5.000 2.703 2.417 3.410 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU QB 1 30 ASP QB 4.150 . 6.500 4.045 3.674 4.439 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU QB 1 31 GLN H 3.400 . 5.000 4.095 3.973 4.268 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU QB 1 33 ASP H 3.400 . 5.000 4.449 4.182 4.669 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU QB 1 32 LEU H 3.400 . 5.000 2.251 2.132 2.458 . 0 0 "[ . 1 . 2]" 1
263 1 29 LEU QB 1 33 ASP H 3.400 . 5.000 2.564 2.328 2.803 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU QD 1 32 LEU QB 4.150 . 6.500 3.798 2.716 4.786 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU HG 1 30 ASP H 3.400 . 5.000 4.321 2.097 5.141 0.141 13 0 "[ . 1 . 2]" 1
266 1 30 ASP H 1 30 ASP QB 3.400 . 5.000 2.286 2.221 2.375 . 0 0 "[ . 1 . 2]" 1
267 1 30 ASP H 1 31 GLN H 3.400 . 5.000 2.679 2.588 2.799 . 0 0 "[ . 1 . 2]" 1
268 1 30 ASP HA 1 30 ASP QB 2.550 . 3.300 2.399 2.353 2.482 . 0 0 "[ . 1 . 2]" 1
269 1 30 ASP HA 1 30 ASP QB 2.250 . 2.700 2.122 2.085 2.166 . 0 0 "[ . 1 . 2]" 1
270 1 30 ASP HA 1 31 GLN H 3.400 . 5.000 3.531 3.471 3.569 . 0 0 "[ . 1 . 2]" 1
271 1 30 ASP HA 1 33 ASP QB 2.550 . 3.300 3.120 2.615 3.500 0.200 4 0 "[ . 1 . 2]" 1
272 1 30 ASP QB 1 31 GLN H 3.400 . 5.000 2.620 2.392 2.894 . 0 0 "[ . 1 . 2]" 1
273 1 30 ASP QB 1 31 GLN HA 3.900 . 6.000 3.993 3.851 4.139 . 0 0 "[ . 1 . 2]" 1
274 1 31 GLN H 1 32 LEU H 3.400 . 5.000 2.377 2.337 2.409 . 0 0 "[ . 1 . 2]" 1
275 1 31 GLN H 1 34 LEU H 3.400 . 5.000 2.594 2.513 2.648 . 0 0 "[ . 1 . 2]" 1
276 1 31 GLN H 1 34 LEU QB 3.400 . 5.000 4.879 4.224 5.157 0.157 4 0 "[ . 1 . 2]" 1
277 1 31 GLN HA 1 31 GLN QB 2.550 . 3.300 2.185 2.045 2.270 . 0 0 "[ . 1 . 2]" 1
278 1 31 GLN HA 1 31 GLN QG 2.550 . 3.300 2.612 2.268 3.392 0.092 10 0 "[ . 1 . 2]" 1
279 1 31 GLN HA 1 31 GLN QG 2.550 . 3.300 2.261 2.023 2.615 . 0 0 "[ . 1 . 2]" 1
280 1 31 GLN HA 1 34 LEU QB 3.400 . 5.000 2.526 2.230 2.721 . 0 0 "[ . 1 . 2]" 1
281 1 31 GLN HA 1 46 ALA MB 3.650 . 5.500 4.726 3.922 7.576 2.076 1 1 "[+ . 1 . 2]" 1
282 1 31 GLN QB 1 53 LYS QE 3.400 . 5.000 2.717 2.093 3.436 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLN QG 1 35 VAL H 3.400 . 5.000 4.580 3.432 5.258 0.258 1 0 "[ . 1 . 2]" 1
284 1 32 LEU H 1 32 LEU QB 3.400 . 5.000 2.255 2.136 2.467 . 0 0 "[ . 1 . 2]" 1
285 1 32 LEU H 1 32 LEU QD 3.650 . 5.500 2.647 1.771 3.604 0.029 8 0 "[ . 1 . 2]" 1
286 1 32 LEU H 1 32 LEU QD 3.650 . 5.500 2.526 1.768 3.195 0.032 8 0 "[ . 1 . 2]" 1
287 1 32 LEU H 1 33 ASP H 3.400 . 5.000 2.703 2.651 2.804 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU H 1 33 ASP QB 3.400 . 5.000 4.532 4.407 4.700 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU HA 1 32 LEU QB 2.550 . 3.300 2.462 2.366 2.520 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU HA 1 32 LEU QD 2.800 . 3.200 2.135 1.944 2.357 . 0 0 "[ . 1 . 2]" 1
291 1 32 LEU HA 1 32 LEU HG 3.900 . 6.000 2.919 2.338 3.631 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU HA 1 33 ASP H 3.400 . 5.000 3.483 3.453 3.508 . 0 0 "[ . 1 . 2]" 1
293 1 32 LEU HA 1 33 ASP QB 3.900 . 6.000 3.886 3.776 4.020 . 0 0 "[ . 1 . 2]" 1
294 1 32 LEU HA 1 35 VAL H 3.400 . 5.000 3.140 3.036 3.334 . 0 0 "[ . 1 . 2]" 1
295 1 32 LEU HA 1 35 VAL HA 3.900 . 6.000 4.518 4.380 4.707 . 0 0 "[ . 1 . 2]" 1
296 1 32 LEU HA 1 35 VAL QG 3.650 . 5.500 2.651 2.026 3.267 . 0 0 "[ . 1 . 2]" 1
297 1 32 LEU HA 1 35 VAL HB 2.550 . 3.300 3.097 2.517 3.755 0.455 13 0 "[ . 1 . 2]" 1
298 1 32 LEU HA 1 35 VAL QG 2.500 . 3.200 2.670 2.028 3.323 0.123 2 0 "[ . 1 . 2]" 1
299 1 32 LEU QB 1 33 ASP H 3.400 . 5.000 2.571 2.331 2.815 . 0 0 "[ . 1 . 2]" 1
300 1 32 LEU QB 1 35 VAL QG 3.900 . 6.000 2.165 1.741 3.674 0.059 2 0 "[ . 1 . 2]" 1
301 1 32 LEU QD 1 33 ASP H 3.650 . 5.500 3.596 3.141 3.979 . 0 0 "[ . 1 . 2]" 1
302 1 32 LEU QD 1 35 VAL HB 3.650 . 5.500 3.829 2.526 5.171 . 0 0 "[ . 1 . 2]" 1
303 1 32 LEU QD 1 35 VAL HB 4.150 . 6.500 3.537 2.507 5.016 . 0 0 "[ . 1 . 2]" 1
304 1 32 LEU QD 1 35 VAL QG 3.050 . 4.300 3.076 2.269 4.245 . 0 0 "[ . 1 . 2]" 1
305 1 32 LEU QD 1 50 LEU QD 2.750 . 3.700 2.562 1.770 5.215 1.515 1 1 "[+ . 1 . 2]" 1
306 1 32 LEU QD 1 73 LEU QB 2.800 . 3.800 3.660 2.656 5.204 1.404 1 1 "[+ . 1 . 2]" 1
307 1 32 LEU QD 1 73 LEU QD 2.750 . 3.700 2.066 1.811 2.810 . 0 0 "[ . 1 . 2]" 1
308 1 32 LEU HG 1 73 LEU QD 2.800 . 3.800 3.701 2.907 4.048 0.248 5 0 "[ . 1 . 2]" 1
309 1 33 ASP H 1 33 ASP QB 3.400 . 5.000 2.281 2.212 2.348 . 0 0 "[ . 1 . 2]" 1
310 1 33 ASP H 1 34 LEU H 3.400 . 5.000 2.615 2.530 2.667 . 0 0 "[ . 1 . 2]" 1
311 1 33 ASP H 1 35 VAL H 3.400 . 5.000 4.137 3.877 4.271 . 0 0 "[ . 1 . 2]" 1
312 1 33 ASP H 1 36 HIS H 3.400 . 5.000 2.457 2.293 2.546 . 0 0 "[ . 1 . 2]" 1
313 1 33 ASP HA 1 33 ASP QB 2.550 . 2.700 2.395 2.337 2.486 . 0 0 "[ . 1 . 2]" 1
314 1 33 ASP HA 1 36 HIS H 3.400 . 5.000 3.753 3.493 4.310 . 0 0 "[ . 1 . 2]" 1
315 1 33 ASP HA 1 36 HIS QB 3.900 . 5.000 3.349 2.740 4.479 . 0 0 "[ . 1 . 2]" 1
316 1 33 ASP QB 1 34 LEU H 3.400 . 5.000 2.607 2.409 2.778 . 0 0 "[ . 1 . 2]" 1
317 1 33 ASP QB 1 35 VAL H 3.400 . 5.000 4.725 4.426 4.873 . 0 0 "[ . 1 . 2]" 1
318 1 34 LEU H 1 34 LEU QD 3.650 . 5.500 2.664 1.817 3.527 . 0 0 "[ . 1 . 2]" 1
319 1 34 LEU H 1 35 VAL H 3.400 . 5.000 2.647 2.508 2.756 . 0 0 "[ . 1 . 2]" 1
320 1 34 LEU HA 1 34 LEU QB 2.550 . 3.300 2.428 2.337 2.504 . 0 0 "[ . 1 . 2]" 1
321 1 34 LEU HA 1 34 LEU QD 2.800 . 3.800 2.060 1.956 2.096 . 0 0 "[ . 1 . 2]" 1
322 1 34 LEU QB 1 34 LEU QD 2.500 . 3.200 1.933 1.905 2.007 . 0 0 "[ . 1 . 2]" 1
323 1 34 LEU QB 1 34 LEU HG 2.250 . 2.700 2.377 2.194 2.504 . 0 0 "[ . 1 . 2]" 1
324 1 34 LEU QB 1 35 VAL H 3.400 . 5.000 2.646 2.375 3.033 . 0 0 "[ . 1 . 2]" 1
325 1 34 LEU QB 1 46 ALA MB 2.800 . 3.800 3.340 2.679 3.866 0.066 2 0 "[ . 1 . 2]" 1
326 1 34 LEU QD 1 37 GLN QG 4.150 . 6.500 4.024 2.220 4.812 . 0 0 "[ . 1 . 2]" 1
327 1 35 VAL H 1 35 VAL HB 3.400 . 5.000 2.354 2.168 2.514 . 0 0 "[ . 1 . 2]" 1
328 1 35 VAL H 1 35 VAL QG 3.650 . 5.500 2.339 1.997 2.746 . 0 0 "[ . 1 . 2]" 1
329 1 35 VAL H 1 36 HIS H 3.400 . 5.000 2.724 2.617 2.895 . 0 0 "[ . 1 . 2]" 1
330 1 35 VAL H 1 46 ALA MB 3.650 . 5.500 4.195 3.343 7.264 1.764 1 1 "[+ . 1 . 2]" 1
331 1 35 VAL HA 1 35 VAL QG 2.800 . 3.200 2.137 2.073 2.190 . 0 0 "[ . 1 . 2]" 1
332 1 35 VAL HA 1 38 ALA H 3.400 . 5.000 3.490 3.100 3.675 . 0 0 "[ . 1 . 2]" 1
333 1 35 VAL HA 1 38 ALA HA 3.900 . 6.000 5.208 4.684 5.827 . 0 0 "[ . 1 . 2]" 1
334 1 35 VAL HA 1 38 ALA MB 2.800 . 3.800 2.366 2.143 3.234 . 0 0 "[ . 1 . 2]" 1
335 1 35 VAL HA 1 43 GLN QG 3.400 . 5.000 3.363 2.948 4.135 . 0 0 "[ . 1 . 2]" 1
336 1 35 VAL HA 1 46 ALA MB 2.800 . 3.800 3.273 2.672 5.591 1.791 1 2 "[+ . 1 - . 2]" 1
337 1 35 VAL HB 1 36 HIS H 3.400 . 5.000 3.296 2.562 4.009 . 0 0 "[ . 1 . 2]" 1
338 1 35 VAL HB 1 46 ALA MB 3.650 . 5.500 3.244 2.407 3.664 . 0 0 "[ . 1 . 2]" 1
339 1 35 VAL QG 1 36 HIS H 3.650 . 5.500 2.869 2.064 3.410 . 0 0 "[ . 1 . 2]" 1
340 1 35 VAL QG 1 36 HIS H 3.650 . 5.500 1.981 1.773 2.916 0.027 7 0 "[ . 1 . 2]" 1
341 1 35 VAL QG 1 37 GLN QB 3.650 . 5.500 2.484 2.107 3.555 . 0 0 "[ . 1 . 2]" 1
342 1 35 VAL QG 1 43 GLN HA 4.150 . 6.500 3.505 3.156 4.630 . 0 0 "[ . 1 . 2]" 1
343 1 35 VAL QG 1 43 GLN QB 4.150 . 6.500 4.031 3.567 4.851 . 0 0 "[ . 1 . 2]" 1
344 1 35 VAL QG 1 43 GLN QB 4.150 . 6.500 3.828 3.424 4.754 . 0 0 "[ . 1 . 2]" 1
345 1 35 VAL QG 1 43 GLN QG 2.800 . 3.800 2.490 2.108 3.598 . 0 0 "[ . 1 . 2]" 1
346 1 35 VAL QG 1 43 GLN QG 4.150 . 6.500 2.467 2.086 3.523 . 0 0 "[ . 1 . 2]" 1
347 1 35 VAL QG 1 44 ILE H 3.650 . 5.500 5.667 5.207 6.752 1.252 13 1 "[ . 1 + . 2]" 1
348 1 35 VAL QG 1 46 ALA HA 3.650 . 5.500 4.285 3.331 6.357 0.857 1 1 "[+ . 1 . 2]" 1
349 1 35 VAL QG 1 46 ALA MB 2.750 . 3.700 2.212 1.742 4.010 0.310 1 0 "[ . 1 . 2]" 1
350 1 35 VAL QG 1 46 ALA MB 2.750 . 3.700 2.187 1.739 3.923 0.223 1 0 "[ . 1 . 2]" 1
351 1 35 VAL QG 1 47 SER HA 3.650 . 5.500 4.261 2.709 5.640 0.140 13 0 "[ . 1 . 2]" 1
352 1 35 VAL QG 1 47 SER QB 3.650 . 5.500 4.385 3.594 5.525 0.025 13 0 "[ . 1 . 2]" 1
353 1 35 VAL QG 1 47 SER QB 3.650 . 5.500 2.298 1.928 4.144 . 0 0 "[ . 1 . 2]" 1
354 1 35 VAL QG 1 77 VAL H 3.650 . 5.500 5.710 5.282 6.955 1.455 2 3 "[ + . 1 * . -]" 1
355 1 35 VAL QG 1 77 VAL H 3.650 . 5.500 2.134 1.848 2.677 . 0 0 "[ . 1 . 2]" 1
356 1 35 VAL QG 1 77 VAL QG 2.750 . 3.700 2.609 1.868 4.020 0.320 13 0 "[ . 1 . 2]" 1
357 1 35 VAL QG 1 81 LEU HG 3.650 . 5.500 3.201 2.124 4.361 . 0 0 "[ . 1 . 2]" 1
358 1 36 HIS H 1 36 HIS QB 3.400 . 5.000 2.300 2.264 2.350 . 0 0 "[ . 1 . 2]" 1
359 1 36 HIS H 1 37 GLN H 3.400 . 5.000 2.463 2.294 2.552 . 0 0 "[ . 1 . 2]" 1
360 1 36 HIS H 1 37 GLN QB 3.400 . 5.000 4.411 4.161 4.989 . 0 0 "[ . 1 . 2]" 1
361 1 36 HIS HA 1 36 HIS QB 2.550 . 3.300 2.389 2.349 2.421 . 0 0 "[ . 1 . 2]" 1
362 1 36 HIS QB 1 37 GLN H 3.400 . 5.000 2.567 2.320 3.171 . 0 0 "[ . 1 . 2]" 1
363 1 37 GLN H 1 37 GLN QB 3.400 . 5.000 2.345 2.285 2.719 . 0 0 "[ . 1 . 2]" 1
364 1 37 GLN H 1 37 GLN QG 3.400 . 5.000 3.286 1.838 4.097 . 0 0 "[ . 1 . 2]" 1
365 1 37 GLN H 1 38 ALA H 3.400 . 5.000 2.367 2.315 2.506 . 0 0 "[ . 1 . 2]" 1
366 1 37 GLN H 1 38 ALA MB 3.650 . 5.500 4.034 3.975 4.125 . 0 0 "[ . 1 . 2]" 1
367 1 37 GLN HA 1 37 GLN QB 2.250 . 2.700 2.388 2.188 2.464 . 0 0 "[ . 1 . 2]" 1
368 1 37 GLN HA 1 37 GLN QG 2.550 . 3.300 2.553 2.315 3.305 0.005 11 0 "[ . 1 . 2]" 1
369 1 37 GLN HA 1 37 GLN QG 3.400 . 5.000 2.363 2.026 2.800 . 0 0 "[ . 1 . 2]" 1
370 1 37 GLN QB 1 38 ALA H 3.400 . 5.000 3.085 2.698 3.928 . 0 0 "[ . 1 . 2]" 1
371 1 37 GLN QB 1 38 ALA H 3.400 . 5.000 3.037 2.656 3.738 . 0 0 "[ . 1 . 2]" 1
372 1 37 GLN QB 1 38 ALA MB 3.650 . 5.500 4.144 3.820 5.005 . 0 0 "[ . 1 . 2]" 1
373 1 38 ALA H 1 39 LYS H 3.400 . 5.000 4.611 4.590 4.629 . 0 0 "[ . 1 . 2]" 1
374 1 38 ALA H 1 43 GLN QG 3.400 . 5.000 4.710 3.965 5.093 0.093 4 0 "[ . 1 . 2]" 1
375 1 38 ALA H 1 46 ALA MB 3.650 . 5.500 5.561 4.910 6.628 1.128 1 1 "[+ . 1 . 2]" 1
376 1 38 ALA HA 1 39 LYS H 3.400 . 5.000 2.286 2.199 2.406 . 0 0 "[ . 1 . 2]" 1
377 1 38 ALA HA 1 43 GLN QG 3.900 . 6.000 5.311 4.043 5.921 . 0 0 "[ . 1 . 2]" 1
378 1 38 ALA MB 1 39 LYS H 3.650 . 5.500 2.657 2.352 2.890 . 0 0 "[ . 1 . 2]" 1
379 1 38 ALA MB 1 39 LYS HA 4.150 . 6.500 4.031 3.762 4.380 . 0 0 "[ . 1 . 2]" 1
380 1 38 ALA MB 1 39 LYS QB 3.650 . 5.500 4.451 4.174 4.746 . 0 0 "[ . 1 . 2]" 1
381 1 38 ALA MB 1 42 ASP HA 3.650 . 5.500 4.247 3.767 5.523 0.023 1 0 "[ . 1 . 2]" 1
382 1 38 ALA MB 1 42 ASP QB 2.800 . 3.800 2.582 2.042 3.786 . 0 0 "[ . 1 . 2]" 1
383 1 38 ALA MB 1 43 GLN H 3.650 . 5.500 3.118 2.519 3.637 . 0 0 "[ . 1 . 2]" 1
384 1 38 ALA MB 1 43 GLN HA 2.500 . 3.200 2.309 2.044 2.751 . 0 0 "[ . 1 . 2]" 1
385 1 38 ALA MB 1 43 GLN QB 3.650 . 3.800 3.003 2.225 3.808 0.008 10 0 "[ . 1 . 2]" 1
386 1 38 ALA MB 1 43 GLN QG 3.650 . 3.800 2.876 2.231 3.255 . 0 0 "[ . 1 . 2]" 1
387 1 39 LYS H 1 39 LYS QD 3.400 . 5.000 3.418 1.722 4.639 0.078 18 0 "[ . 1 . 2]" 1
388 1 39 LYS H 1 39 LYS QG 3.400 . 5.000 3.342 1.973 4.295 . 0 0 "[ . 1 . 2]" 1
389 1 39 LYS H 1 42 ASP QB 3.400 . 5.000 2.305 1.790 4.594 0.010 20 0 "[ . 1 . 2]" 1
390 1 39 LYS HA 1 39 LYS QG 2.550 . 3.300 2.747 2.297 3.381 0.081 18 0 "[ . 1 . 2]" 1
391 1 39 LYS QD 1 39 LYS QE 2.250 . 2.700 2.051 2.020 2.108 . 0 0 "[ . 1 . 2]" 1
392 1 39 LYS QD 1 39 LYS QG 2.250 . 2.700 2.103 2.047 2.111 . 0 0 "[ . 1 . 2]" 1
393 1 39 LYS QD 1 43 GLN HA 3.900 . 6.000 6.093 5.566 6.433 0.433 6 0 "[ . 1 . 2]" 1
394 1 41 ARG HA 1 41 ARG QD 3.400 . 5.000 3.944 2.308 4.489 . 0 0 "[ . 1 . 2]" 1
395 1 41 ARG HA 1 41 ARG QD 3.400 . 5.000 3.767 2.307 4.362 . 0 0 "[ . 1 . 2]" 1
396 1 41 ARG HA 1 41 ARG QG 2.550 . 3.300 2.606 2.311 3.310 0.010 20 0 "[ . 1 . 2]" 1
397 1 41 ARG HA 1 43 GLN H 3.400 . 5.000 4.157 3.872 4.404 . 0 0 "[ . 1 . 2]" 1
398 1 41 ARG HA 1 44 ILE H 3.400 . 5.000 3.475 3.257 3.826 . 0 0 "[ . 1 . 2]" 1
399 1 41 ARG HA 1 44 ILE HB 2.550 . 3.300 3.090 2.433 3.478 0.178 9 0 "[ . 1 . 2]" 1
400 1 41 ARG HA 1 44 ILE MD 2.800 . 3.800 2.436 2.235 3.151 . 0 0 "[ . 1 . 2]" 1
401 1 41 ARG HA 1 44 ILE HG12 3.900 . 6.000 4.813 4.007 5.559 . 0 0 "[ . 1 . 2]" 1
402 1 41 ARG HA 1 45 ALA H 3.400 . 5.000 4.193 3.501 4.616 . 0 0 "[ . 1 . 2]" 1
403 1 41 ARG QB 1 41 ARG QD 2.250 . 2.700 2.231 2.097 2.372 . 0 0 "[ . 1 . 2]" 1
404 1 41 ARG QB 1 41 ARG QG 2.250 . 2.700 2.096 2.021 2.111 . 0 0 "[ . 1 . 2]" 1
405 1 41 ARG QB 1 42 ASP HA 3.900 . 6.000 4.047 3.804 4.465 . 0 0 "[ . 1 . 2]" 1
406 1 41 ARG QD 1 41 ARG QG 2.250 . 2.700 2.062 2.024 2.106 . 0 0 "[ . 1 . 2]" 1
407 1 41 ARG QD 1 42 ASP QB 3.400 . 5.000 5.122 4.631 5.815 0.815 9 1 "[ . +1 . 2]" 1
408 1 41 ARG QD 1 44 ILE MD 4.150 . 6.500 5.225 3.581 6.547 0.047 1 0 "[ . 1 . 2]" 1
409 1 41 ARG QG 1 42 ASP HA 3.900 . 6.000 4.614 3.080 5.889 . 0 0 "[ . 1 . 2]" 1
410 1 41 ARG QG 1 44 ILE MD 4.150 . 6.500 3.909 2.556 5.681 . 0 0 "[ . 1 . 2]" 1
411 1 42 ASP H 1 42 ASP QB 3.400 . 5.000 2.278 2.226 2.548 . 0 0 "[ . 1 . 2]" 1
412 1 42 ASP H 1 43 GLN H 3.400 . 5.000 2.635 2.560 2.789 . 0 0 "[ . 1 . 2]" 1
413 1 42 ASP HA 1 43 GLN H 3.400 . 5.000 3.508 3.439 3.557 . 0 0 "[ . 1 . 2]" 1
414 1 42 ASP HA 1 44 ILE H 3.400 . 5.000 4.355 4.050 4.836 . 0 0 "[ . 1 . 2]" 1
415 1 42 ASP HA 1 45 ALA H 3.400 . 5.000 3.485 3.338 3.724 . 0 0 "[ . 1 . 2]" 1
416 1 42 ASP QB 1 43 GLN H 3.400 . 5.000 2.796 2.461 3.597 . 0 0 "[ . 1 . 2]" 1
417 1 42 ASP QB 1 44 ILE MD 4.150 . 6.500 6.235 5.396 6.617 0.117 1 0 "[ . 1 . 2]" 1
418 1 43 GLN H 1 43 GLN QB 3.400 . 5.000 2.242 2.056 2.336 . 0 0 "[ . 1 . 2]" 1
419 1 43 GLN H 1 43 GLN QG 3.400 . 5.000 3.728 2.320 3.957 . 0 0 "[ . 1 . 2]" 1
420 1 43 GLN H 1 43 GLN QG 3.400 . 5.000 3.568 2.316 3.810 . 0 0 "[ . 1 . 2]" 1
421 1 43 GLN HA 1 43 GLN QB 2.550 . 3.300 2.403 2.345 2.567 . 0 0 "[ . 1 . 2]" 1
422 1 43 GLN HA 1 43 GLN QG . . 3.300 2.320 2.165 2.434 . 0 0 "[ . 1 . 2]" 1
423 1 43 GLN HA 1 44 ILE H 3.400 . 5.000 3.527 3.490 3.550 . 0 0 "[ . 1 . 2]" 1
424 1 43 GLN HA 1 46 ALA HA 3.900 . 6.000 5.681 5.351 5.961 . 0 0 "[ . 1 . 2]" 1
425 1 43 GLN HA 1 46 ALA MB 2.800 . 3.800 2.970 2.699 3.158 . 0 0 "[ . 1 . 2]" 1
426 1 43 GLN HA 1 47 SER H 3.400 . 5.000 4.693 4.007 5.397 0.397 1 0 "[ . 1 . 2]" 1
427 1 43 GLN HA 1 81 LEU QD 3.650 . 5.500 4.653 3.505 5.420 . 0 0 "[ . 1 . 2]" 1
428 1 43 GLN QB 1 44 ILE H 3.400 . 5.000 2.586 2.218 2.799 . 0 0 "[ . 1 . 2]" 1
429 1 43 GLN QG 1 44 ILE H 3.400 . 5.000 3.832 3.127 4.434 . 0 0 "[ . 1 . 2]" 1
430 1 43 GLN QG 1 44 ILE H 3.400 . 5.000 2.391 2.269 2.554 . 0 0 "[ . 1 . 2]" 1
431 1 44 ILE H 1 44 ILE MD 3.650 . 5.500 2.977 1.739 3.211 0.061 5 0 "[ . 1 . 2]" 1
432 1 44 ILE H 1 44 ILE HG12 3.400 . 5.000 3.632 3.293 3.975 . 0 0 "[ . 1 . 2]" 1
433 1 44 ILE H 1 45 ALA H 3.400 . 5.000 2.654 2.589 2.702 . 0 0 "[ . 1 . 2]" 1
434 1 44 ILE H 1 47 SER H 3.400 . 5.000 4.889 4.667 5.202 0.202 2 0 "[ . 1 . 2]" 1
435 1 44 ILE HA 1 44 ILE MD 2.800 . 3.800 3.657 2.695 3.873 0.073 1 0 "[ . 1 . 2]" 1
436 1 44 ILE HA 1 44 ILE HG12 2.550 . 3.300 2.701 2.513 3.580 0.280 5 0 "[ . 1 . 2]" 1
437 1 44 ILE HA 1 44 ILE HG13 3.400 . 5.000 2.739 2.241 3.009 . 0 0 "[ . 1 . 2]" 1
438 1 44 ILE HA 1 44 ILE HG13 3.650 . 5.500 2.726 2.238 2.986 . 0 0 "[ . 1 . 2]" 1
439 1 44 ILE HA 1 44 ILE MG 2.500 . 3.200 2.388 2.250 2.520 . 0 0 "[ . 1 . 2]" 1
440 1 44 ILE HA 1 45 ALA H 3.400 . 5.000 3.549 3.540 3.565 . 0 0 "[ . 1 . 2]" 1
441 1 44 ILE HA 1 81 LEU QD 3.650 . 3.800 2.683 2.147 5.734 1.934 1 1 "[+ . 1 . 2]" 1
442 1 44 ILE HB 1 44 ILE MD 2.800 . 3.800 2.263 2.215 2.335 . 0 0 "[ . 1 . 2]" 1
443 1 44 ILE HB 1 44 ILE HG12 2.550 . 3.300 2.958 2.498 3.038 . 0 0 "[ . 1 . 2]" 1
444 1 44 ILE HB 1 44 ILE HG13 2.550 . 3.300 2.621 2.524 3.039 . 0 0 "[ . 1 . 2]" 1
445 1 44 ILE HB 1 45 ALA H 3.400 . 5.000 2.597 2.535 2.681 . 0 0 "[ . 1 . 2]" 1
446 1 44 ILE MD 1 45 ALA H 3.650 . 5.500 3.188 2.933 3.385 . 0 0 "[ . 1 . 2]" 1
447 1 44 ILE HG12 1 44 ILE MG 2.800 . 3.800 2.304 2.154 2.343 . 0 0 "[ . 1 . 2]" 1
448 1 44 ILE HG13 1 44 ILE MG 2.800 . 3.800 3.093 2.472 3.196 . 0 0 "[ . 1 . 2]" 1
449 1 44 ILE HG13 1 44 ILE MG 3.050 . 4.300 2.995 2.448 3.117 . 0 0 "[ . 1 . 2]" 1
450 1 44 ILE MG 1 81 LEU QD 3.050 . 4.300 3.229 2.222 6.600 2.300 1 1 "[+ . 1 . 2]" 1
451 1 45 ALA H 1 46 ALA H 3.400 . 5.000 2.770 2.659 2.905 . 0 0 "[ . 1 . 2]" 1
452 1 45 ALA H 1 46 ALA MB 3.650 . 5.500 4.399 4.313 4.525 . 0 0 "[ . 1 . 2]" 1
453 1 45 ALA MB 1 47 SER H 3.650 . 5.500 4.466 4.166 4.643 . 0 0 "[ . 1 . 2]" 1
454 1 45 ALA MB 1 48 PHE QB 3.650 . 5.500 4.091 3.788 4.612 . 0 0 "[ . 1 . 2]" 1
455 1 46 ALA H 1 47 SER HA 3.400 . 5.000 5.223 5.126 5.276 0.276 14 0 "[ . 1 . 2]" 1
456 1 46 ALA H 1 47 SER QB 3.400 . 5.000 4.586 4.319 4.900 . 0 0 "[ . 1 . 2]" 1
457 1 46 ALA H 1 48 PHE QB 3.400 . 5.000 4.488 4.338 4.737 . 0 0 "[ . 1 . 2]" 1
458 1 46 ALA H 1 49 GLU QB 3.400 . 5.000 3.868 3.702 4.000 . 0 0 "[ . 1 . 2]" 1
459 1 46 ALA HA 1 49 GLU QB . . 3.300 2.774 2.323 3.354 0.054 17 0 "[ . 1 . 2]" 1
460 1 46 ALA HA 1 49 GLU QG 3.900 . 6.000 4.478 3.430 5.013 . 0 0 "[ . 1 . 2]" 1
461 1 46 ALA HA 1 49 GLU QG 3.900 . 6.000 4.038 3.364 4.439 . 0 0 "[ . 1 . 2]" 1
462 1 46 ALA HA 1 77 VAL QG 3.650 . 5.500 3.350 2.267 3.917 . 0 0 "[ . 1 . 2]" 1
463 1 46 ALA MB 1 47 SER H 3.650 . 5.500 2.595 2.430 2.926 . 0 0 "[ . 1 . 2]" 1
464 1 46 ALA MB 1 81 LEU QD 3.050 . 4.300 3.180 2.887 4.280 . 0 0 "[ . 1 . 2]" 1
465 1 47 SER H 1 48 PHE H 3.400 . 5.000 2.698 2.620 2.814 . 0 0 "[ . 1 . 2]" 1
466 1 47 SER HA 1 47 SER QB 2.250 . 2.700 2.310 2.138 2.467 . 0 0 "[ . 1 . 2]" 1
467 1 47 SER HA 1 48 PHE H 3.400 . 5.000 3.535 3.493 3.562 . 0 0 "[ . 1 . 2]" 1
468 1 47 SER HA 1 50 LEU QB 3.400 . 5.000 2.850 2.335 4.753 . 0 0 "[ . 1 . 2]" 1
469 1 47 SER HA 1 78 THR HA 3.900 . 6.000 4.879 4.611 5.536 . 0 0 "[ . 1 . 2]" 1
470 1 47 SER HA 1 77 VAL QG 2.800 . 3.200 2.627 2.203 5.324 2.124 1 2 "[+ . 1 . -]" 1
471 1 47 SER QB 1 48 PHE H 3.400 . 5.000 2.791 2.197 3.546 . 0 0 "[ . 1 . 2]" 1
472 1 47 SER QB 1 78 THR H 3.400 . 5.000 3.483 3.415 3.561 . 0 0 "[ . 1 . 2]" 1
473 1 47 SER QB 1 77 VAL QG 2.800 . 3.800 2.337 1.933 4.747 0.947 1 1 "[+ . 1 . 2]" 1
474 1 47 SER QB 1 81 LEU QD 3.650 . 5.500 2.709 1.881 5.787 0.287 1 0 "[ . 1 . 2]" 1
475 1 48 PHE H 1 48 PHE QB 3.400 . 5.000 2.264 2.192 2.332 . 0 0 "[ . 1 . 2]" 1
476 1 48 PHE H 1 49 GLU H 3.400 . 5.000 2.683 2.508 2.777 . 0 0 "[ . 1 . 2]" 1
477 1 48 PHE HA 1 48 PHE QB 2.550 . 3.300 2.399 2.345 2.494 . 0 0 "[ . 1 . 2]" 1
478 1 48 PHE HA 1 50 LEU H 3.400 . 5.000 3.458 3.393 3.514 . 0 0 "[ . 1 . 2]" 1
479 1 48 PHE HA 1 51 ASN QB 3.400 . 5.000 2.618 2.207 3.023 . 0 0 "[ . 1 . 2]" 1
480 1 48 PHE HA 1 52 LYS H 3.400 . 5.000 3.583 3.337 4.251 . 0 0 "[ . 1 . 2]" 1
481 1 48 PHE HA 1 51 ASN QB 3.400 . 5.000 2.605 2.203 3.036 . 0 0 "[ . 1 . 2]" 1
482 1 48 PHE HA 1 52 LYS QE 3.400 . 5.000 4.503 3.595 5.146 0.146 18 0 "[ . 1 . 2]" 1
483 1 48 PHE QB 1 49 GLU H 3.400 . 5.000 2.564 2.349 3.108 . 0 0 "[ . 1 . 2]" 1
484 1 49 GLU H 1 49 GLU QB 3.400 . 5.000 2.260 2.218 2.311 . 0 0 "[ . 1 . 2]" 1
485 1 49 GLU H 1 49 GLU QG 3.400 . 5.000 3.757 2.371 4.050 . 0 0 "[ . 1 . 2]" 1
486 1 49 GLU H 1 50 LEU H 3.400 . 5.000 2.707 2.583 3.005 . 0 0 "[ . 1 . 2]" 1
487 1 49 GLU H 1 50 LEU QD 3.650 . 5.500 4.745 3.650 5.682 0.182 1 0 "[ . 1 . 2]" 1
488 1 49 GLU HA 1 49 GLU QB 2.550 . 2.700 2.396 2.339 2.440 . 0 0 "[ . 1 . 2]" 1
489 1 49 GLU HA 1 49 GLU QG . . 2.700 2.443 2.265 2.781 0.081 1 0 "[ . 1 . 2]" 1
490 1 49 GLU HA 1 49 GLU QG 3.400 . 5.000 2.438 2.263 2.771 . 0 0 "[ . 1 . 2]" 1
491 1 49 GLU HA 1 50 LEU QD 4.150 . 6.500 5.103 3.974 5.783 . 0 0 "[ . 1 . 2]" 1
492 1 49 GLU QB 1 49 GLU QG 2.250 . 2.700 2.079 2.033 2.113 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLU QB 1 50 LEU H 3.400 . 5.000 2.103 1.895 2.437 . 0 0 "[ . 1 . 2]" 1
494 1 49 GLU QB 1 50 LEU HA 3.400 . 5.000 4.005 3.761 4.112 . 0 0 "[ . 1 . 2]" 1
495 1 49 GLU QB 1 52 LYS H 3.400 . 5.000 2.478 1.744 3.834 0.056 16 0 "[ . 1 . 2]" 1
496 1 49 GLU QB 1 53 LYS H 3.400 . 5.000 2.162 2.083 2.351 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLU QG 1 53 LYS QE 3.400 . 5.000 2.758 2.162 3.361 . 0 0 "[ . 1 . 2]" 1
498 1 49 GLU QG 1 53 LYS QE . . 3.300 2.785 2.163 3.425 0.125 15 0 "[ . 1 . 2]" 1
499 1 50 LEU H 1 50 LEU QB 3.400 . 5.000 2.263 2.167 2.384 . 0 0 "[ . 1 . 2]" 1
500 1 50 LEU H 1 50 LEU QB 3.400 . 5.000 2.256 2.163 2.375 . 0 0 "[ . 1 . 2]" 1
501 1 50 LEU H 1 50 LEU QD 3.650 . 5.500 2.930 1.764 3.689 0.036 20 0 "[ . 1 . 2]" 1
502 1 50 LEU H 1 50 LEU QD 3.650 . 5.500 2.554 1.761 3.519 0.039 20 0 "[ . 1 . 2]" 1
503 1 50 LEU HA 1 50 LEU QD 2.500 . 3.200 2.116 1.947 2.260 . 0 0 "[ . 1 . 2]" 1
504 1 50 LEU HA 1 50 LEU HG 3.900 . 6.000 2.931 2.356 3.613 . 0 0 "[ . 1 . 2]" 1
505 1 50 LEU HA 1 51 ASN H 3.400 . 5.000 3.511 3.418 3.551 . 0 0 "[ . 1 . 2]" 1
506 1 50 LEU HA 1 53 LYS H 3.400 . 5.000 3.337 3.089 3.552 . 0 0 "[ . 1 . 2]" 1
507 1 50 LEU HA 1 53 LYS QD 2.550 . 3.300 2.947 2.271 4.005 0.705 7 1 "[ . + 1 . 2]" 1
508 1 50 LEU QB 1 50 LEU QD 2.500 . 3.200 1.939 1.903 2.013 . 0 0 "[ . 1 . 2]" 1
509 1 50 LEU QB 1 50 LEU HG 2.550 . 3.300 2.362 2.191 2.503 . 0 0 "[ . 1 . 2]" 1
510 1 50 LEU QB 1 51 ASN H 3.400 . 5.000 2.704 2.552 3.028 . 0 0 "[ . 1 . 2]" 1
511 1 50 LEU QB 1 52 LYS H 3.400 . 5.000 4.914 4.705 5.220 0.220 1 0 "[ . 1 . 2]" 1
512 1 50 LEU QB 1 54 ILE MD 3.650 . 5.500 2.118 1.930 2.400 . 0 0 "[ . 1 . 2]" 1
513 1 50 LEU QB 1 54 ILE MG 3.650 . 5.500 2.476 2.110 3.480 . 0 0 "[ . 1 . 2]" 1
514 1 50 LEU QD 1 51 ASN H 3.650 . 5.500 3.704 3.326 3.997 . 0 0 "[ . 1 . 2]" 1
515 1 50 LEU QD 1 53 LYS H 3.650 . 5.500 4.211 3.743 4.436 . 0 0 "[ . 1 . 2]" 1
516 1 50 LEU QD 1 53 LYS QD 3.650 . 5.500 2.752 2.206 3.910 . 0 0 "[ . 1 . 2]" 1
517 1 50 LEU QD 1 53 LYS QE 2.800 . 3.800 3.587 1.987 3.975 0.175 12 0 "[ . 1 . 2]" 1
518 1 50 LEU QD 1 54 ILE MD 3.050 . 4.300 2.029 1.837 2.468 . 0 0 "[ . 1 . 2]" 1
519 1 50 LEU QD 1 74 LYS H 3.650 . 5.500 2.460 1.939 3.986 . 0 0 "[ . 1 . 2]" 1
520 1 50 LEU QD 1 74 LYS H 3.650 . 5.500 2.611 2.284 3.002 . 0 0 "[ . 1 . 2]" 1
521 1 51 ASN H 1 51 ASN QB 3.400 . 5.000 2.290 2.237 2.425 . 0 0 "[ . 1 . 2]" 1
522 1 51 ASN H 1 52 LYS H 3.400 . 5.000 2.861 2.720 3.149 . 0 0 "[ . 1 . 2]" 1
523 1 51 ASN HA 1 54 ILE HB 3.400 . 5.000 2.945 2.641 3.299 . 0 0 "[ . 1 . 2]" 1
524 1 51 ASN HA 1 54 ILE MD 3.650 . 5.500 2.901 2.554 3.147 . 0 0 "[ . 1 . 2]" 1
525 1 51 ASN QB 1 52 LYS H 3.400 . 5.000 2.342 2.115 2.489 . 0 0 "[ . 1 . 2]" 1
526 1 52 LYS H 1 52 LYS QB 3.400 . 5.000 2.380 2.060 2.706 . 0 0 "[ . 1 . 2]" 1
527 1 52 LYS H 1 53 LYS H 3.400 . 5.000 2.638 2.537 2.697 . 0 0 "[ . 1 . 2]" 1
528 1 52 LYS HA 1 52 LYS QB 2.250 . 2.700 2.376 2.173 2.562 . 0 0 "[ . 1 . 2]" 1
529 1 52 LYS HA 1 55 ASN H 3.400 . 5.000 3.591 3.373 3.727 . 0 0 "[ . 1 . 2]" 1
530 1 52 LYS HA 1 55 ASN QB 3.400 . 5.000 2.576 2.360 3.280 . 0 0 "[ . 1 . 2]" 1
531 1 52 LYS QB 1 52 LYS QD 2.250 . 2.700 2.275 2.115 2.483 . 0 0 "[ . 1 . 2]" 1
532 1 52 LYS QE 1 53 LYS H 3.400 . 5.000 4.765 4.297 5.462 0.462 14 0 "[ . 1 . 2]" 1
533 1 53 LYS H 1 53 LYS QE 3.400 . 5.000 4.019 3.469 4.335 . 0 0 "[ . 1 . 2]" 1
534 1 53 LYS H 1 53 LYS QG 3.400 . 5.000 2.733 2.006 3.954 . 0 0 "[ . 1 . 2]" 1
535 1 53 LYS H 1 54 ILE H 3.400 . 5.000 2.709 2.660 2.794 . 0 0 "[ . 1 . 2]" 1
536 1 53 LYS H 1 54 ILE H 3.400 . 5.000 2.712 2.660 2.799 . 0 0 "[ . 1 . 2]" 1
537 1 53 LYS H 1 54 ILE HG13 3.400 . 5.000 4.594 4.462 4.738 . 0 0 "[ . 1 . 2]" 1
538 1 53 LYS H 1 56 ASP H 3.400 . 5.000 2.393 2.360 2.444 . 0 0 "[ . 1 . 2]" 1
539 1 53 LYS HA 1 53 LYS QD 3.900 . 6.000 3.901 2.418 4.160 . 0 0 "[ . 1 . 2]" 1
540 1 53 LYS HA 1 53 LYS QD 3.400 . 5.000 2.653 2.243 2.985 . 0 0 "[ . 1 . 2]" 1
541 1 53 LYS HA 1 53 LYS QG . . 3.300 2.307 2.225 2.393 . 0 0 "[ . 1 . 2]" 1
542 1 53 LYS HA 1 54 ILE H 3.400 . 5.000 3.559 3.527 3.577 . 0 0 "[ . 1 . 2]" 1
543 1 53 LYS QB 1 53 LYS QD 2.550 . 3.300 2.164 2.105 2.316 . 0 0 "[ . 1 . 2]" 1
544 1 53 LYS QB 1 53 LYS QE 2.550 . 3.300 3.147 2.123 3.617 0.317 14 0 "[ . 1 . 2]" 1
545 1 53 LYS QB 1 54 ILE HA 3.400 . 5.000 3.903 3.857 4.073 . 0 0 "[ . 1 . 2]" 1
546 1 54 ILE H 1 55 ASN H 3.400 . 5.000 2.644 2.589 2.693 . 0 0 "[ . 1 . 2]" 1
547 1 54 ILE H 1 55 ASN H 3.400 . 5.000 2.365 2.354 2.388 . 0 0 "[ . 1 . 2]" 1
548 1 54 ILE H 1 55 ASN QB 3.400 . 5.000 4.435 4.345 4.567 . 0 0 "[ . 1 . 2]" 1
549 1 54 ILE H 1 55 ASN QB 3.400 . 5.000 4.122 4.072 4.198 . 0 0 "[ . 1 . 2]" 1
550 1 54 ILE H 1 57 TYR H 3.400 . 5.000 2.638 2.582 2.777 . 0 0 "[ . 1 . 2]" 1
551 1 54 ILE HA 1 54 ILE MD 3.650 . 5.500 3.805 3.703 3.821 . 0 0 "[ . 1 . 2]" 1
552 1 54 ILE HA 1 54 ILE MD 2.800 . 3.800 2.377 2.342 2.561 . 0 0 "[ . 1 . 2]" 1
553 1 54 ILE HA 1 54 ILE HG12 3.400 . 5.000 2.527 2.274 2.589 . 0 0 "[ . 1 . 2]" 1
554 1 54 ILE HA 1 54 ILE HG13 2.550 . 3.300 2.813 2.735 3.004 . 0 0 "[ . 1 . 2]" 1
555 1 54 ILE HA 1 54 ILE MG 2.800 . 3.800 2.402 2.364 2.611 . 0 0 "[ . 1 . 2]" 1
556 1 54 ILE HA 1 55 ASN H 3.400 . 5.000 3.549 3.460 3.563 . 0 0 "[ . 1 . 2]" 1
557 1 54 ILE HA 1 57 TYR H 3.400 . 5.000 3.546 3.399 3.704 . 0 0 "[ . 1 . 2]" 1
558 1 54 ILE HA 1 57 TYR QB 3.900 . 5.000 2.807 2.550 4.110 . 0 0 "[ . 1 . 2]" 1
559 1 54 ILE HB 1 54 ILE MD 2.500 . 3.200 2.056 1.893 2.231 . 0 0 "[ . 1 . 2]" 1
560 1 54 ILE HB 1 54 ILE HG12 2.550 . 3.300 3.031 3.024 3.035 . 0 0 "[ . 1 . 2]" 1
561 1 54 ILE HB 1 55 ASN H 3.400 . 5.000 2.560 2.472 3.091 . 0 0 "[ . 1 . 2]" 1
562 1 54 ILE MD 1 71 THR H 3.650 . 5.500 3.366 3.168 4.081 . 0 0 "[ . 1 . 2]" 1
563 1 54 ILE MD 1 55 ASN H 3.650 . 5.500 3.170 3.080 3.435 . 0 0 "[ . 1 . 2]" 1
564 1 54 ILE MD 1 70 LEU QB 2.800 . 3.800 2.578 2.049 4.102 0.302 1 0 "[ . 1 . 2]" 1
565 1 54 ILE MD 1 72 GLN QB 3.650 . 5.500 5.018 4.829 5.250 . 0 0 "[ . 1 . 2]" 1
566 1 54 ILE MD 1 70 LEU HA 3.650 . 5.500 2.813 2.187 3.804 . 0 0 "[ . 1 . 2]" 1
567 1 54 ILE MD 1 73 LEU QD 3.900 . 6.000 3.061 2.465 4.751 . 0 0 "[ . 1 . 2]" 1
568 1 54 ILE MD 1 74 LYS HA 2.800 . 3.800 2.857 2.196 3.859 0.059 1 0 "[ . 1 . 2]" 1
569 1 54 ILE HG12 1 70 LEU QB 3.650 . 5.500 3.043 2.292 5.577 0.077 1 0 "[ . 1 . 2]" 1
570 1 54 ILE MG 1 56 ASP H 3.650 . 5.500 3.435 3.311 3.486 . 0 0 "[ . 1 . 2]" 1
571 1 54 ILE MG 1 55 ASN HA 2.500 . 3.200 3.303 3.251 3.356 0.156 10 0 "[ . 1 . 2]" 1
572 1 54 ILE MG 1 55 ASN QB 3.650 . 5.500 3.917 3.637 4.279 . 0 0 "[ . 1 . 2]" 1
573 1 54 ILE MG 1 56 ASP QB 4.150 . 6.500 5.922 4.898 6.087 . 0 0 "[ . 1 . 2]" 1
574 1 54 ILE MG 1 57 TYR H 3.650 . 5.500 4.480 3.481 4.691 . 0 0 "[ . 1 . 2]" 1
575 1 54 ILE MG 1 58 ILE MD 2.750 . 3.700 1.896 1.775 2.403 0.025 4 0 "[ . 1 . 2]" 1
576 1 54 ILE MG 1 67 ASN QB 3.650 . 5.500 3.416 2.645 4.335 . 0 0 "[ . 1 . 2]" 1
577 1 54 ILE MG 1 71 THR HB 3.650 . 5.500 4.094 3.326 4.456 . 0 0 "[ . 1 . 2]" 1
578 1 54 ILE MG 1 72 GLN QB 3.650 . 5.500 5.612 5.465 5.851 0.351 10 0 "[ . 1 . 2]" 1
579 1 54 ILE MG 1 72 GLN QG 4.150 . 6.500 6.146 5.817 6.753 0.253 20 0 "[ . 1 . 2]" 1
580 1 54 ILE MG 1 74 LYS QE 3.650 . 5.500 3.891 2.134 5.387 . 0 0 "[ . 1 . 2]" 1
581 1 54 ILE MG 1 75 GLU QG 4.150 . 6.500 5.439 4.479 6.077 . 0 0 "[ . 1 . 2]" 1
582 1 55 ASN H 1 55 ASN QB 3.400 . 5.000 2.270 2.250 2.348 . 0 0 "[ . 1 . 2]" 1
583 1 55 ASN HA 1 56 ASP H 3.400 . 5.000 3.177 3.063 3.236 . 0 0 "[ . 1 . 2]" 1
584 1 55 ASN HA 1 58 ILE HB 2.550 . 3.300 3.146 2.746 3.388 0.088 1 0 "[ . 1 . 2]" 1
585 1 55 ASN HA 1 58 ILE MD 2.800 . 3.800 2.449 2.226 3.025 . 0 0 "[ . 1 . 2]" 1
586 1 55 ASN HA 1 58 ILE MG 4.150 . 6.500 4.299 4.025 4.626 . 0 0 "[ . 1 . 2]" 1
587 1 55 ASN QB 1 56 ASP H 3.400 . 5.000 2.558 2.451 3.007 . 0 0 "[ . 1 . 2]" 1
588 1 55 ASN QB 1 57 TYR H 3.400 . 5.000 2.572 2.416 2.718 . 0 0 "[ . 1 . 2]" 1
589 1 55 ASN QB 1 58 ILE MD 4.150 . 6.500 4.068 3.713 4.472 . 0 0 "[ . 1 . 2]" 1
590 1 55 ASN QB 1 58 ILE MD 3.650 . 5.500 3.461 3.203 3.721 . 0 0 "[ . 1 . 2]" 1
591 1 55 ASN QB 1 59 ALA MB 3.650 . 5.500 4.907 4.200 5.384 . 0 0 "[ . 1 . 2]" 1
592 1 56 ASP H 1 57 TYR HA 3.400 . 5.000 3.494 3.462 3.517 . 0 0 "[ . 1 . 2]" 1
593 1 56 ASP H 1 57 TYR QB 3.400 . 5.000 2.529 2.326 2.694 . 0 0 "[ . 1 . 2]" 1
594 1 56 ASP H 1 59 ALA H 3.400 . 5.000 2.659 2.613 2.679 . 0 0 "[ . 1 . 2]" 1
595 1 56 ASP H 1 58 ILE HB 3.400 . 5.000 2.414 2.379 2.426 . 0 0 "[ . 1 . 2]" 1
596 1 56 ASP H 1 59 ALA MB 3.650 . 5.500 4.051 3.872 4.140 . 0 0 "[ . 1 . 2]" 1
597 1 56 ASP HA 1 56 ASP QB 2.550 . 3.300 2.394 2.335 2.422 . 0 0 "[ . 1 . 2]" 1
598 1 56 ASP HA 1 57 TYR H 3.400 . 5.000 3.536 3.511 3.559 . 0 0 "[ . 1 . 2]" 1
599 1 56 ASP HA 1 59 ALA H 3.400 . 5.000 3.410 3.270 3.583 . 0 0 "[ . 1 . 2]" 1
600 1 56 ASP HA 1 59 ALA MB 3.650 . 3.800 2.692 2.356 3.009 . 0 0 "[ . 1 . 2]" 1
601 1 57 TYR H 1 57 TYR QB 3.400 . 5.000 2.237 2.039 2.338 . 0 0 "[ . 1 . 2]" 1
602 1 57 TYR H 1 58 ILE HB 3.400 . 5.000 4.843 4.792 4.876 . 0 0 "[ . 1 . 2]" 1
603 1 57 TYR HA 1 61 HIS H 3.400 . 5.000 4.329 3.754 4.961 . 0 0 "[ . 1 . 2]" 1
604 1 57 TYR QB 1 70 LEU HG 3.900 . 6.000 4.899 3.777 6.262 0.262 1 0 "[ . 1 . 2]" 1
605 1 58 ILE H 1 58 ILE HG12 3.400 . 5.000 3.549 3.470 3.760 . 0 0 "[ . 1 . 2]" 1
606 1 58 ILE H 1 58 ILE HG13 3.400 . 5.000 2.280 2.186 3.312 . 0 0 "[ . 1 . 2]" 1
607 1 58 ILE H 1 59 ALA H 3.400 . 5.000 2.685 2.642 2.701 . 0 0 "[ . 1 . 2]" 1
608 1 58 ILE HA 1 58 ILE MD 3.650 . 5.500 3.775 3.037 3.824 . 0 0 "[ . 1 . 2]" 1
609 1 58 ILE HA 1 58 ILE HG12 2.550 . 3.300 2.600 2.508 3.525 0.225 18 0 "[ . 1 . 2]" 1
610 1 58 ILE HA 1 58 ILE HG13 2.550 . 3.300 2.768 2.270 2.850 . 0 0 "[ . 1 . 2]" 1
611 1 58 ILE HA 1 58 ILE MG 2.500 . 3.200 2.385 2.369 2.418 . 0 0 "[ . 1 . 2]" 1
612 1 58 ILE HA 1 59 ALA H 3.400 . 5.000 3.552 3.534 3.559 . 0 0 "[ . 1 . 2]" 1
613 1 58 ILE HA 1 61 HIS H 3.400 . 5.000 3.439 3.268 3.552 . 0 0 "[ . 1 . 2]" 1
614 1 58 ILE HB 1 58 ILE MD 2.800 . 3.800 2.262 2.196 2.359 . 0 0 "[ . 1 . 2]" 1
615 1 58 ILE HB 1 59 ALA H 3.400 . 5.000 2.559 2.509 2.613 . 0 0 "[ . 1 . 2]" 1
616 1 58 ILE MD 1 67 ASN QB 4.150 . 6.500 3.759 3.354 4.502 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE MD 1 71 THR HB 3.650 . 5.500 3.401 2.063 4.110 . 0 0 "[ . 1 . 2]" 1
618 1 58 ILE MD 1 71 THR MG 3.900 . 6.000 2.730 1.895 3.684 . 0 0 "[ . 1 . 2]" 1
619 1 58 ILE HG12 1 58 ILE MG 2.800 . 3.800 2.311 2.141 2.337 . 0 0 "[ . 1 . 2]" 1
620 1 58 ILE HG12 1 71 THR H 3.400 . 5.000 2.136 2.070 2.301 . 0 0 "[ . 1 . 2]" 1
621 1 58 ILE HG13 1 58 ILE MG 2.800 . 3.800 3.162 2.635 3.195 . 0 0 "[ . 1 . 2]" 1
622 1 58 ILE HG13 1 67 ASN HA 3.400 . 5.000 4.950 4.690 5.109 0.109 20 0 "[ . 1 . 2]" 1
623 1 58 ILE MG 1 59 ALA HA 4.150 . 5.500 3.309 3.235 3.335 . 0 0 "[ . 1 . 2]" 1
624 1 58 ILE MG 1 61 HIS QB 4.150 . 6.500 5.062 3.697 5.525 . 0 0 "[ . 1 . 2]" 1
625 1 58 ILE MG 1 68 GLN QG 4.150 . 6.500 5.692 4.484 6.488 . 0 0 "[ . 1 . 2]" 1
626 1 59 ALA H 1 60 GLU H 3.400 . 5.000 2.647 2.596 2.712 . 0 0 "[ . 1 . 2]" 1
627 1 59 ALA H 1 60 GLU H 3.400 . 5.000 2.315 2.285 2.339 . 0 0 "[ . 1 . 2]" 1
628 1 59 ALA MB 1 60 GLU HA 3.650 . 5.500 3.846 3.803 3.886 . 0 0 "[ . 1 . 2]" 1
629 1 59 ALA MB 1 62 PRO QB 3.650 . 5.500 4.817 4.523 5.644 0.144 19 0 "[ . 1 . 2]" 1
630 1 60 GLU H 1 60 GLU QB 3.400 . 5.000 2.331 2.251 2.401 . 0 0 "[ . 1 . 2]" 1
631 1 60 GLU H 1 60 GLU QB 3.400 . 5.000 2.125 2.045 2.256 . 0 0 "[ . 1 . 2]" 1
632 1 60 GLU H 1 60 GLU QG 3.400 . 5.000 2.752 2.215 4.053 . 0 0 "[ . 1 . 2]" 1
633 1 60 GLU H 1 61 HIS H 3.400 . 5.000 2.557 2.504 2.609 . 0 0 "[ . 1 . 2]" 1
634 1 60 GLU HA 1 60 GLU QB 2.550 . 3.300 2.399 2.378 2.409 . 0 0 "[ . 1 . 2]" 1
635 1 60 GLU HA 1 60 GLU QG . . 3.300 2.519 2.310 2.832 . 0 0 "[ . 1 . 2]" 1
636 1 60 GLU HA 1 61 HIS H 3.400 . 5.000 3.498 3.285 3.551 . 0 0 "[ . 1 . 2]" 1
637 1 60 GLU QB 1 61 HIS H 3.400 . 5.000 2.666 2.476 3.251 . 0 0 "[ . 1 . 2]" 1
638 1 61 HIS H 1 61 HIS QB 3.400 . 5.000 2.732 2.512 2.887 . 0 0 "[ . 1 . 2]" 1
639 1 61 HIS H 1 61 HIS QB 3.400 . 5.000 2.719 2.502 2.869 . 0 0 "[ . 1 . 2]" 1
640 1 61 HIS H 1 62 PRO QB 3.400 . 5.000 4.170 3.984 4.352 . 0 0 "[ . 1 . 2]" 1
641 1 61 HIS H 1 62 PRO QD 3.400 . 5.000 2.759 2.668 2.921 . 0 0 "[ . 1 . 2]" 1
642 1 61 HIS HA 1 62 PRO QD . . 3.300 2.202 2.166 2.233 . 0 0 "[ . 1 . 2]" 1
643 1 61 HIS HA 1 62 PRO QG 3.900 . 6.000 4.114 4.053 4.161 . 0 0 "[ . 1 . 2]" 1
644 1 61 HIS QB 1 63 THR MG 3.650 . 5.500 4.718 2.897 5.527 0.027 20 0 "[ . 1 . 2]" 1
645 1 61 HIS QB 1 64 SER HA 3.900 . 6.000 4.235 3.181 5.210 . 0 0 "[ . 1 . 2]" 1
646 1 61 HIS QB 1 64 SER QB 3.400 . 5.000 3.040 2.148 5.021 0.021 20 0 "[ . 1 . 2]" 1
647 1 61 HIS QB 1 67 ASN H 3.400 . 5.000 2.420 2.252 2.566 . 0 0 "[ . 1 . 2]" 1
648 1 62 PRO HA 1 62 PRO QD 3.900 . 6.000 3.428 3.362 3.465 . 0 0 "[ . 1 . 2]" 1
649 1 62 PRO QB 1 62 PRO QD . . 3.300 2.853 2.769 2.906 . 0 0 "[ . 1 . 2]" 1
650 1 64 SER HA 1 64 SER QB 2.550 . 3.300 2.312 2.187 2.437 . 0 0 "[ . 1 . 2]" 1
651 1 64 SER QB 1 67 ASN QB 3.900 . 6.000 3.746 2.206 5.832 . 0 0 "[ . 1 . 2]" 1
652 1 66 ARG HA 1 66 ARG QB 2.550 . 3.300 2.397 2.338 2.486 . 0 0 "[ . 1 . 2]" 1
653 1 66 ARG HA 1 66 ARG QD 2.550 . 3.300 2.339 2.187 3.057 . 0 0 "[ . 1 . 2]" 1
654 1 67 ASN H 1 67 ASN QB 3.400 . 5.000 2.428 2.254 2.569 . 0 0 "[ . 1 . 2]" 1
655 1 68 GLN HA 1 68 GLN QB 2.250 . 2.700 2.395 2.360 2.521 . 0 0 "[ . 1 . 2]" 1
656 1 68 GLN HA 1 68 GLN QG 3.400 . 5.000 2.474 2.298 2.857 . 0 0 "[ . 1 . 2]" 1
657 1 68 GLN HA 1 69 ALA H 3.400 . 5.000 3.448 3.380 3.501 . 0 0 "[ . 1 . 2]" 1
658 1 68 GLN QB 1 68 GLN QG 2.250 . 2.700 2.077 2.019 2.109 . 0 0 "[ . 1 . 2]" 1
659 1 68 GLN QB 1 69 ALA H 3.400 . 5.000 2.750 2.430 3.033 . 0 0 "[ . 1 . 2]" 1
660 1 68 GLN QB 1 69 ALA HA 3.400 . 5.000 3.101 2.758 3.258 . 0 0 "[ . 1 . 2]" 1
661 1 68 GLN QB 1 70 LEU H 3.400 . 5.000 3.829 3.710 3.979 . 0 0 "[ . 1 . 2]" 1
662 1 68 GLN QB 1 72 GLN H 3.400 . 5.000 2.327 2.234 2.445 . 0 0 "[ . 1 . 2]" 1
663 1 68 GLN QG 1 71 THR MG 3.650 . 5.500 3.354 2.735 4.189 . 0 0 "[ . 1 . 2]" 1
664 1 69 ALA HA 1 72 GLN QB 3.400 . 5.000 3.204 2.807 3.400 . 0 0 "[ . 1 . 2]" 1
665 1 69 ALA HA 1 72 GLN QB . . 3.300 3.232 2.819 3.438 0.138 12 0 "[ . 1 . 2]" 1
666 1 69 ALA HA 1 72 GLN QG 3.400 . 5.000 3.591 2.210 5.086 0.086 13 0 "[ . 1 . 2]" 1
667 1 70 LEU H 1 72 GLN QB 3.400 . 5.000 4.063 3.926 4.174 . 0 0 "[ . 1 . 2]" 1
668 1 70 LEU H 1 71 THR MG 3.650 . 5.500 3.336 1.769 3.729 0.031 15 0 "[ . 1 . 2]" 1
669 1 70 LEU H 1 72 GLN H 3.400 . 5.000 2.651 2.543 2.776 . 0 0 "[ . 1 . 2]" 1
670 1 70 LEU HA 1 70 LEU QB 2.550 . 3.300 2.432 2.320 2.491 . 0 0 "[ . 1 . 2]" 1
671 1 70 LEU HA 1 70 LEU QD 2.800 . 3.800 2.170 1.966 2.427 . 0 0 "[ . 1 . 2]" 1
672 1 70 LEU HA 1 73 LEU QB 2.550 . 3.300 2.124 2.000 2.368 . 0 0 "[ . 1 . 2]" 1
673 1 70 LEU HA 1 73 LEU QB 2.550 . 3.300 2.382 2.163 2.459 . 0 0 "[ . 1 . 2]" 1
674 1 70 LEU HA 1 73 LEU HG 3.400 . 5.000 2.614 2.236 3.548 . 0 0 "[ . 1 . 2]" 1
675 1 70 LEU HA 1 73 LEU QD 2.500 . 3.200 2.606 2.206 3.471 0.271 1 0 "[ . 1 . 2]" 1
676 1 70 LEU QB 1 70 LEU HG 2.550 . 3.300 2.374 2.196 2.493 . 0 0 "[ . 1 . 2]" 1
677 1 70 LEU QD 1 74 LYS H 3.650 . 5.500 5.413 4.721 5.822 0.322 11 0 "[ . 1 . 2]" 1
678 1 71 THR H 1 71 THR HB 3.400 . 5.000 2.605 2.235 2.753 . 0 0 "[ . 1 . 2]" 1
679 1 71 THR HB 1 72 GLN H 3.400 . 5.000 3.126 2.269 4.249 . 0 0 "[ . 1 . 2]" 1
680 1 71 THR MG 1 72 GLN H 3.650 . 5.500 3.394 2.075 3.917 . 0 0 "[ . 1 . 2]" 1
681 1 71 THR MG 1 72 GLN QB 3.650 . 5.500 4.599 3.049 5.190 . 0 0 "[ . 1 . 2]" 1
682 1 71 THR MG 1 75 GLU QG 3.650 . 5.500 3.609 2.747 4.757 . 0 0 "[ . 1 . 2]" 1
683 1 72 GLN H 1 72 GLN QB 3.400 . 5.000 2.322 2.231 2.438 . 0 0 "[ . 1 . 2]" 1
684 1 72 GLN H 1 72 GLN QG 3.400 . 5.000 2.836 2.063 4.047 . 0 0 "[ . 1 . 2]" 1
685 1 72 GLN H 1 73 LEU H 3.400 . 5.000 2.647 2.517 2.719 . 0 0 "[ . 1 . 2]" 1
686 1 72 GLN H 1 73 LEU H 3.400 . 5.000 2.622 2.506 2.688 . 0 0 "[ . 1 . 2]" 1
687 1 72 GLN HA 1 72 GLN QB 2.250 . 2.700 2.391 2.349 2.455 . 0 0 "[ . 1 . 2]" 1
688 1 72 GLN HA 1 72 GLN QG 2.550 . 3.300 2.553 2.275 2.851 . 0 0 "[ . 1 . 2]" 1
689 1 72 GLN HA 1 75 GLU QG 3.900 . 6.000 3.145 2.251 3.908 . 0 0 "[ . 1 . 2]" 1
690 1 72 GLN QB 1 73 LEU H 3.400 . 5.000 2.114 2.065 2.196 . 0 0 "[ . 1 . 2]" 1
691 1 72 GLN QB 1 74 LYS H 3.400 . 5.000 2.131 2.083 2.272 . 0 0 "[ . 1 . 2]" 1
692 1 72 GLN QB 1 75 GLU H 3.400 . 5.000 2.184 1.770 3.913 0.030 14 0 "[ . 1 . 2]" 1
693 1 72 GLN QB 1 76 GLN H 3.400 . 5.000 3.363 2.043 4.101 . 0 0 "[ . 1 . 2]" 1
694 1 73 LEU H 1 73 LEU HG 3.650 . 5.500 3.269 2.353 4.551 . 0 0 "[ . 1 . 2]" 1
695 1 73 LEU H 1 75 GLU H 3.400 . 5.000 2.762 2.587 2.904 . 0 0 "[ . 1 . 2]" 1
696 1 73 LEU HA 1 73 LEU QB 2.250 . 2.700 2.464 2.354 2.507 . 0 0 "[ . 1 . 2]" 1
697 1 73 LEU HA 1 77 VAL HA 3.900 . 6.000 4.703 4.143 5.049 . 0 0 "[ . 1 . 2]" 1
698 1 73 LEU QB 1 73 LEU HG 2.550 . 3.300 2.383 2.186 2.509 . 0 0 "[ . 1 . 2]" 1
699 1 73 LEU QD 1 77 VAL H 3.650 . 5.500 4.400 3.071 5.623 0.123 20 0 "[ . 1 . 2]" 1
700 1 73 LEU QD 1 77 VAL QG 3.050 . 4.300 3.293 2.034 4.582 0.282 20 0 "[ . 1 . 2]" 1
701 1 74 LYS H 1 74 LYS QG 3.400 . 5.000 3.760 1.823 4.015 . 0 0 "[ . 1 . 2]" 1
702 1 74 LYS H 1 75 GLU H 3.400 . 5.000 2.793 2.620 2.937 . 0 0 "[ . 1 . 2]" 1
703 1 74 LYS H 1 77 VAL H 3.400 . 5.000 4.260 4.142 4.466 . 0 0 "[ . 1 . 2]" 1
704 1 74 LYS HA 1 77 VAL HB 3.400 . 5.000 3.471 2.556 5.327 0.327 1 0 "[ . 1 . 2]" 1
705 1 74 LYS HA 1 77 VAL QG 2.800 . 3.800 3.382 2.268 3.955 0.155 20 0 "[ . 1 . 2]" 1
706 1 74 LYS QB 1 76 GLN H 3.400 . 5.000 2.281 2.220 2.395 . 0 0 "[ . 1 . 2]" 1
707 1 74 LYS QG 1 77 VAL QG 3.650 . 5.500 4.392 3.416 4.976 . 0 0 "[ . 1 . 2]" 1
708 1 74 LYS QG 1 78 THR MG 3.650 . 5.500 3.732 2.480 4.950 . 0 0 "[ . 1 . 2]" 1
709 1 75 GLU H 1 75 GLU QG 3.400 . 5.000 2.193 1.771 4.059 0.029 14 0 "[ . 1 . 2]" 1
710 1 75 GLU H 1 76 GLN H 3.400 . 5.000 2.602 2.524 2.723 . 0 0 "[ . 1 . 2]" 1
711 1 75 GLU H 1 77 VAL H 3.400 . 5.000 4.457 4.121 4.990 . 0 0 "[ . 1 . 2]" 1
712 1 75 GLU HA 1 75 GLU QG 3.400 . 5.000 2.775 2.316 3.419 . 0 0 "[ . 1 . 2]" 1
713 1 75 GLU HA 1 78 THR H 3.400 . 5.000 3.747 3.431 5.164 0.164 1 0 "[ . 1 . 2]" 1
714 1 75 GLU HA 1 78 THR MG 2.800 . 3.800 3.546 2.110 3.983 0.183 1 0 "[ . 1 . 2]" 1
715 1 75 GLU QB 1 75 GLU QG 2.250 . 2.700 2.078 2.032 2.109 . 0 0 "[ . 1 . 2]" 1
716 1 76 GLN H 1 76 GLN QG 3.400 . 5.000 3.254 2.177 4.063 . 0 0 "[ . 1 . 2]" 1
717 1 76 GLN H 1 77 VAL H 3.400 . 5.000 2.772 2.592 2.974 . 0 0 "[ . 1 . 2]" 1
718 1 76 GLN HA 1 76 GLN QG 2.550 . 3.300 2.544 2.270 2.823 . 0 0 "[ . 1 . 2]" 1
719 1 76 GLN HA 1 77 VAL H 3.400 . 5.000 3.500 3.457 3.545 . 0 0 "[ . 1 . 2]" 1
720 1 76 GLN HA 1 79 SER H 3.400 . 5.000 2.328 2.164 2.487 . 0 0 "[ . 1 . 2]" 1
721 1 76 GLN HA 1 80 ALA H 3.400 . 5.000 2.716 2.319 3.301 . 0 0 "[ . 1 . 2]" 1
722 1 76 GLN QG 1 77 VAL H 3.400 . 5.000 3.800 3.093 4.242 . 0 0 "[ . 1 . 2]" 1
723 1 77 VAL H 1 77 VAL HB 3.400 . 5.000 2.457 2.153 2.699 . 0 0 "[ . 1 . 2]" 1
724 1 77 VAL H 1 77 VAL QG 3.650 . 5.500 2.135 1.848 2.678 . 0 0 "[ . 1 . 2]" 1
725 1 77 VAL H 1 78 THR H 3.400 . 5.000 2.748 2.689 2.870 . 0 0 "[ . 1 . 2]" 1
726 1 77 VAL H 1 80 ALA MB 3.650 . 5.500 4.273 3.951 4.738 . 0 0 "[ . 1 . 2]" 1
727 1 77 VAL HA 1 77 VAL HB 2.550 . 3.300 2.953 2.419 3.028 . 0 0 "[ . 1 . 2]" 1
728 1 77 VAL HA 1 77 VAL QG 2.500 . 3.200 2.095 2.039 2.242 . 0 0 "[ . 1 . 2]" 1
729 1 77 VAL HA 1 80 ALA H 3.400 . 5.000 3.424 2.838 3.595 . 0 0 "[ . 1 . 2]" 1
730 1 77 VAL HA 1 80 ALA MB 2.800 . 3.800 2.659 2.050 3.072 . 0 0 "[ . 1 . 2]" 1
731 1 77 VAL HB 1 78 THR H 3.400 . 5.000 2.677 2.420 3.768 . 0 0 "[ . 1 . 2]" 1
732 1 77 VAL HB 1 81 LEU QD 4.150 . 6.500 4.759 3.918 6.270 . 0 0 "[ . 1 . 2]" 1
733 1 77 VAL QG 1 78 THR H 3.650 . 5.500 2.897 1.678 3.257 0.122 1 0 "[ . 1 . 2]" 1
734 1 77 VAL QG 1 78 THR HA 4.150 . 6.500 3.268 2.810 3.704 . 0 0 "[ . 1 . 2]" 1
735 1 77 VAL QG 1 81 LEU HG 2.800 . 3.800 3.306 2.124 4.400 0.600 5 1 "[ + 1 . 2]" 1
736 1 77 VAL QG 1 83 LEU QD 3.900 . 6.000 4.545 3.785 5.075 . 0 0 "[ . 1 . 2]" 1
737 1 78 THR H 1 78 THR HB 3.400 . 5.000 2.962 2.096 3.540 . 0 0 "[ . 1 . 2]" 1
738 1 78 THR H 1 78 THR MG 3.650 . 5.500 2.964 1.971 3.746 . 0 0 "[ . 1 . 2]" 1
739 1 78 THR H 1 79 SER H 3.400 . 5.000 2.724 2.543 2.964 . 0 0 "[ . 1 . 2]" 1
740 1 78 THR H 1 81 LEU QD 3.650 . 5.500 4.643 4.163 5.770 0.270 1 0 "[ . 1 . 2]" 1
741 1 78 THR H 1 83 LEU QB 3.650 . 5.500 5.094 4.212 5.514 0.014 13 0 "[ . 1 . 2]" 1
742 1 78 THR HA 1 78 THR MG 2.500 . 3.200 2.388 2.256 3.186 . 0 0 "[ . 1 . 2]" 1
743 1 78 THR HA 1 79 SER H 3.400 . 5.000 3.540 3.486 3.565 . 0 0 "[ . 1 . 2]" 1
744 1 78 THR HA 1 81 LEU H 3.400 . 5.000 3.681 3.491 4.312 . 0 0 "[ . 1 . 2]" 1
745 1 78 THR HA 1 81 LEU QB 3.900 . 5.000 3.290 2.302 4.396 . 0 0 "[ . 1 . 2]" 1
746 1 78 THR HA 1 81 LEU QD 2.800 . 3.800 2.738 2.298 3.923 0.123 1 0 "[ . 1 . 2]" 1
747 1 78 THR HA 1 83 LEU H 3.400 . 5.000 4.593 3.584 6.098 1.098 1 1 "[+ . 1 . 2]" 1
748 1 78 THR HA 1 83 LEU QD 2.800 . 3.800 3.198 2.308 3.916 0.116 9 0 "[ . 1 . 2]" 1
749 1 78 THR MG 1 79 SER H 3.650 . 5.500 3.535 1.886 4.026 . 0 0 "[ . 1 . 2]" 1
750 1 78 THR MG 1 81 LEU QD 3.050 . 4.300 3.083 2.395 4.055 . 0 0 "[ . 1 . 2]" 1
751 1 78 THR MG 1 81 LEU HG 3.650 . 5.500 5.243 4.573 5.837 0.337 1 0 "[ . 1 . 2]" 1
752 1 78 THR MG 1 83 LEU H 3.650 . 5.500 4.493 3.346 5.592 0.092 13 0 "[ . 1 . 2]" 1
753 1 78 THR MG 1 83 LEU QD 3.050 . 4.300 3.023 2.019 4.335 0.035 11 0 "[ . 1 . 2]" 1
754 1 79 SER H 1 80 ALA H 3.400 . 5.000 2.632 2.454 2.786 . 0 0 "[ . 1 . 2]" 1
755 1 79 SER H 1 80 ALA MB 3.650 . 5.500 4.295 4.156 4.438 . 0 0 "[ . 1 . 2]" 1
756 1 80 ALA H 1 81 LEU H 3.400 . 5.000 2.772 2.577 2.919 . 0 0 "[ . 1 . 2]" 1
757 1 80 ALA H 1 82 GLY H 3.400 . 5.000 3.985 3.866 4.225 . 0 0 "[ . 1 . 2]" 1
758 1 80 ALA HA 1 81 LEU HG 3.400 . 5.000 5.238 4.613 7.021 2.021 5 1 "[ + 1 . 2]" 1
759 1 80 ALA MB 1 81 LEU H 3.650 . 5.500 2.186 2.066 2.519 . 0 0 "[ . 1 . 2]" 1
760 1 81 LEU H 1 81 LEU QB 3.400 . 5.000 2.466 2.254 2.607 . 0 0 "[ . 1 . 2]" 1
761 1 81 LEU HA 1 81 LEU QB 2.550 . 3.300 2.347 2.318 2.395 . 0 0 "[ . 1 . 2]" 1
762 1 81 LEU HA 1 81 LEU QD 2.500 . 3.200 2.122 2.000 2.169 . 0 0 "[ . 1 . 2]" 1
763 1 81 LEU HA 1 81 LEU HG 3.400 . 5.000 2.997 2.826 3.168 . 0 0 "[ . 1 . 2]" 1
764 1 81 LEU HA 1 82 GLY H 3.400 . 5.000 3.491 3.402 3.518 . 0 0 "[ . 1 . 2]" 1
765 1 81 LEU QB 1 81 LEU HG 2.550 . 3.300 2.386 2.326 2.434 . 0 0 "[ . 1 . 2]" 1
766 1 81 LEU QB 1 82 GLY H 3.400 . 5.000 2.796 2.724 3.209 . 0 0 "[ . 1 . 2]" 1
767 1 81 LEU QB 1 83 LEU HG 3.400 . 5.000 3.292 2.101 5.295 0.295 9 0 "[ . 1 . 2]" 1
768 1 81 LEU QD 1 82 GLY H 3.650 . 5.500 3.433 2.524 4.046 . 0 0 "[ . 1 . 2]" 1
769 1 81 LEU QD 1 82 GLY QA 4.150 . 6.500 4.168 3.817 4.309 . 0 0 "[ . 1 . 2]" 1
770 1 81 LEU QD 1 83 LEU HA 3.650 . 5.500 3.018 2.216 4.087 . 0 0 "[ . 1 . 2]" 1
771 1 81 LEU QD 1 83 LEU QD 2.750 . 3.700 2.294 1.786 3.554 0.014 5 0 "[ . 1 . 2]" 1
772 1 82 GLY H 1 83 LEU H 3.400 . 5.000 2.514 2.301 2.994 . 0 0 "[ . 1 . 2]" 1
773 1 83 LEU H 1 83 LEU QD 3.650 . 5.500 2.151 1.541 3.524 0.259 16 0 "[ . 1 . 2]" 1
774 1 83 LEU H 1 84 GLU H 3.400 . 5.000 2.603 2.483 2.651 . 0 0 "[ . 1 . 2]" 1
775 1 83 LEU HA 1 83 LEU QD 2.500 . 3.200 2.335 1.955 3.375 0.175 17 0 "[ . 1 . 2]" 1
776 1 83 LEU QB 1 84 GLU H 3.650 . 5.500 2.600 1.922 3.021 . 0 0 "[ . 1 . 2]" 1
777 1 84 GLU H 1 84 GLU QB 3.400 . 5.000 2.867 2.392 3.299 . 0 0 "[ . 1 . 2]" 1
778 1 84 GLU HA 1 84 GLU QB 2.550 . 3.300 2.388 2.355 2.458 . 0 0 "[ . 1 . 2]" 1
779 1 84 GLU HA 1 84 GLU QG 2.550 . 3.300 2.483 2.238 2.841 . 0 0 "[ . 1 . 2]" 1
780 1 84 GLU QB 1 84 GLU QG 2.250 . 2.700 2.079 2.032 2.110 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 8, 2024 2:21:31 AM GMT (wattos1)