NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
432219 |
2js0   |
15349 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2js0
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 646
_Distance_constraint_stats_list.Viol_count 1240
_Distance_constraint_stats_list.Viol_total 1566.304
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0632
_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 2 SER 0.128 0.084 5 0 "[ . 1 . 2]"
1 3 LEU 1.052 0.084 5 0 "[ . 1 . 2]"
1 4 ASN 0.865 0.206 20 0 "[ . 1 . 2]"
1 5 MET 2.630 0.264 3 0 "[ . 1 . 2]"
1 6 PRO 1.150 0.099 13 0 "[ . 1 . 2]"
1 7 ALA 3.839 0.151 16 0 "[ . 1 . 2]"
1 8 TYR 4.957 0.202 20 0 "[ . 1 . 2]"
1 9 VAL 6.404 0.171 16 0 "[ . 1 . 2]"
1 10 LYS 3.595 0.213 1 0 "[ . 1 . 2]"
1 11 PHE 1.843 0.173 18 0 "[ . 1 . 2]"
1 12 ASN 1.056 0.159 16 0 "[ . 1 . 2]"
1 13 TYR 0.759 0.083 19 0 "[ . 1 . 2]"
1 14 MET 0.773 0.085 11 0 "[ . 1 . 2]"
1 15 ALA 1.419 0.129 8 0 "[ . 1 . 2]"
1 16 GLU 0.077 0.029 7 0 "[ . 1 . 2]"
1 17 ARG 0.502 0.169 17 0 "[ . 1 . 2]"
1 18 GLU 0.027 0.014 11 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 3.290 0.157 20 0 "[ . 1 . 2]"
1 21 LEU 5.310 0.259 7 0 "[ . 1 . 2]"
1 22 SER 2.486 0.233 19 0 "[ . 1 . 2]"
1 23 LEU 3.981 0.137 1 0 "[ . 1 . 2]"
1 24 ILE 5.782 0.134 10 0 "[ . 1 . 2]"
1 25 LYS 2.798 0.134 10 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 THR 0.909 0.106 20 0 "[ . 1 . 2]"
1 28 LYS 3.796 0.180 3 0 "[ . 1 . 2]"
1 29 VAL 0.333 0.092 4 0 "[ . 1 . 2]"
1 30 ILE 4.674 0.123 18 0 "[ . 1 . 2]"
1 31 VAL 5.968 0.203 14 0 "[ . 1 . 2]"
1 32 MET 5.974 0.206 20 0 "[ . 1 . 2]"
1 33 GLU 0.181 0.090 20 0 "[ . 1 . 2]"
1 34 LYS 8.426 0.221 2 0 "[ . 1 . 2]"
1 35 CYS 0.162 0.064 2 0 "[ . 1 . 2]"
1 37 ASP 0.410 0.108 13 0 "[ . 1 . 2]"
1 39 TRP 0.813 0.075 19 0 "[ . 1 . 2]"
1 40 TRP 5.791 0.221 2 0 "[ . 1 . 2]"
1 41 ARG 0.367 0.056 9 0 "[ . 1 . 2]"
1 42 GLY 0.125 0.035 1 0 "[ . 1 . 2]"
1 43 SER 6.913 0.278 16 0 "[ . 1 . 2]"
1 44 TYR 1.692 0.127 7 0 "[ . 1 . 2]"
1 45 ASN 2.740 0.245 9 0 "[ . 1 . 2]"
1 46 GLY 2.740 0.245 9 0 "[ . 1 . 2]"
1 47 GLN 0.454 0.146 6 0 "[ . 1 . 2]"
1 48 VAL 4.426 0.278 16 0 "[ . 1 . 2]"
1 49 GLY 0.210 0.050 20 0 "[ . 1 . 2]"
1 50 TRP 1.991 0.126 18 0 "[ . 1 . 2]"
1 51 PHE 2.515 0.162 13 0 "[ . 1 . 2]"
1 52 PRO 0.408 0.054 1 0 "[ . 1 . 2]"
1 53 SER 1.964 0.284 3 0 "[ . 1 . 2]"
1 54 ASN 0.201 0.017 2 0 "[ . 1 . 2]"
1 55 TYR 0.536 0.173 18 0 "[ . 1 . 2]"
1 56 VAL 3.907 0.162 13 0 "[ . 1 . 2]"
1 57 THR 3.147 0.202 20 0 "[ . 1 . 2]"
1 58 GLU 2.654 0.171 17 0 "[ . 1 . 2]"
1 59 GLU 1.561 0.107 18 0 "[ . 1 . 2]"
1 60 GLY 0.901 0.107 18 0 "[ . 1 . 2]"
1 61 ASP 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 2 SER HA 1 2 SER QB . . 2.450 2.291 2.165 2.449 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 LEU H . . 3.220 2.498 2.136 3.304 0.084 5 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU QB . . 3.330 2.552 2.217 3.306 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU HA 1 3 LEU QB . . 2.500 2.414 2.356 2.498 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 3 LEU QD . . 2.400 2.078 1.792 2.475 0.075 4 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 3 LEU HG . . 4.150 3.131 2.463 3.716 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU QB 1 3 LEU QD . . 2.570 1.984 1.938 2.067 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU QB 1 3 LEU HG . . 2.310 2.296 2.155 2.375 0.065 16 0 "[ . 1 . 2]" 1
9 1 3 LEU QB 1 4 ASN H . . 5.180 2.939 2.037 3.898 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN H 1 4 ASN HA . . 2.830 2.425 2.256 2.835 0.005 20 0 "[ . 1 . 2]" 1
11 1 4 ASN H 1 5 MET H . . 3.550 2.664 1.915 3.217 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASN H 1 32 MET HA . . 3.130 2.485 1.734 3.336 0.206 20 0 "[ . 1 . 2]" 1
13 1 4 ASN H 1 32 MET HG2 . . 5.500 4.035 2.592 4.981 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASN HA 1 4 ASN QB . . 2.620 2.371 2.188 2.515 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASN HA 1 5 MET H . . 2.860 2.581 2.244 2.842 . 0 0 "[ . 1 . 2]" 1
16 1 4 ASN HA 1 30 ILE MG . . 2.700 2.383 2.067 2.675 . 0 0 "[ . 1 . 2]" 1
17 1 4 ASN QB 1 30 ILE MG . . 3.310 2.788 2.237 3.379 0.069 2 0 "[ . 1 . 2]" 1
18 1 5 MET H 1 5 MET HB2 . . 3.300 2.466 2.184 2.859 . 0 0 "[ . 1 . 2]" 1
19 1 5 MET H 1 5 MET HB3 . . 3.300 2.946 2.512 3.564 0.264 3 0 "[ . 1 . 2]" 1
20 1 5 MET H 1 6 PRO QD . . 5.340 4.174 4.067 4.300 . 0 0 "[ . 1 . 2]" 1
21 1 5 MET H 1 30 ILE MG . . 5.010 3.625 3.241 4.053 . 0 0 "[ . 1 . 2]" 1
22 1 5 MET H 1 31 VAL H . . 5.140 3.436 3.076 3.865 . 0 0 "[ . 1 . 2]" 1
23 1 5 MET H 1 31 VAL HA . . 5.500 4.683 4.308 5.135 . 0 0 "[ . 1 . 2]" 1
24 1 5 MET H 1 31 VAL HB . . 4.250 3.181 2.787 3.567 . 0 0 "[ . 1 . 2]" 1
25 1 5 MET H 1 32 MET HA . . 3.680 3.475 3.072 3.747 0.067 11 0 "[ . 1 . 2]" 1
26 1 5 MET HA 1 5 MET HB2 . . 3.050 2.711 2.484 3.016 . 0 0 "[ . 1 . 2]" 1
27 1 5 MET HA 1 5 MET HB3 . . 3.050 2.860 2.523 3.028 . 0 0 "[ . 1 . 2]" 1
28 1 5 MET HA 1 5 MET QG . . 3.780 2.524 2.282 2.926 . 0 0 "[ . 1 . 2]" 1
29 1 5 MET HA 1 6 PRO HD2 . . 2.700 2.506 1.994 2.718 0.018 7 0 "[ . 1 . 2]" 1
30 1 5 MET HA 1 6 PRO QD . . 2.240 1.839 1.761 1.941 . 0 0 "[ . 1 . 2]" 1
31 1 5 MET HA 1 6 PRO HD3 . . 2.700 1.956 1.786 2.426 . 0 0 "[ . 1 . 2]" 1
32 1 5 MET HA 1 6 PRO QG . . 4.470 3.748 3.670 3.848 . 0 0 "[ . 1 . 2]" 1
33 1 5 MET QB 1 5 MET QG . . 2.350 2.046 1.992 2.088 . 0 0 "[ . 1 . 2]" 1
34 1 5 MET QB 1 6 PRO QD . . 4.370 3.450 3.087 3.667 . 0 0 "[ . 1 . 2]" 1
35 1 5 MET HB2 1 31 VAL HB . . 3.600 3.235 2.214 3.721 0.121 17 0 "[ . 1 . 2]" 1
36 1 5 MET HB3 1 31 VAL HB . . 3.600 2.734 1.938 3.696 0.096 8 0 "[ . 1 . 2]" 1
37 1 6 PRO HA 1 7 ALA H . . 2.540 2.164 2.141 2.185 . 0 0 "[ . 1 . 2]" 1
38 1 6 PRO HA 1 7 ALA MB . . 4.380 3.990 3.945 4.047 . 0 0 "[ . 1 . 2]" 1
39 1 6 PRO HA 1 30 ILE HA . . 2.700 2.660 2.390 2.763 0.063 1 0 "[ . 1 . 2]" 1
40 1 6 PRO HA 1 30 ILE MD . . 3.030 2.521 2.267 2.758 . 0 0 "[ . 1 . 2]" 1
41 1 6 PRO HA 1 30 ILE MG . . 4.200 3.966 3.746 4.150 . 0 0 "[ . 1 . 2]" 1
42 1 6 PRO HA 1 31 VAL H . . 4.100 3.458 3.100 3.721 . 0 0 "[ . 1 . 2]" 1
43 1 6 PRO HA 1 31 VAL MG2 . . 4.750 4.116 3.950 4.362 . 0 0 "[ . 1 . 2]" 1
44 1 6 PRO QB 1 7 ALA H . . 3.250 3.285 3.217 3.349 0.099 13 0 "[ . 1 . 2]" 1
45 1 6 PRO QB 1 28 LYS QD . . 2.990 1.805 1.707 1.963 . 0 0 "[ . 1 . 2]" 1
46 1 6 PRO HB2 1 7 ALA H . . 3.970 3.697 3.430 3.855 . 0 0 "[ . 1 . 2]" 1
47 1 6 PRO HB3 1 7 ALA H . . 3.970 3.706 3.533 3.986 0.016 4 0 "[ . 1 . 2]" 1
48 1 6 PRO QG 1 30 ILE MD . . 4.450 3.378 2.674 4.364 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA H 1 7 ALA MB . . 3.060 2.585 2.520 2.658 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA H 1 28 LYS HA . . 4.690 4.263 4.168 4.411 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA H 1 28 LYS HB2 . . 5.090 5.136 5.046 5.202 0.112 14 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 28 LYS HB3 . . 5.500 5.265 5.156 5.437 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 28 LYS HG3 . . 3.330 3.114 2.885 3.359 0.029 13 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 29 VAL H . . 3.270 2.898 2.782 3.030 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 29 VAL MG2 . . 5.450 3.174 3.022 3.366 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 30 ILE HA . . 3.960 3.638 3.526 3.830 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA H 1 30 ILE MD . . 5.420 3.898 3.697 4.058 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 8 TYR H . . 2.630 2.142 2.100 2.241 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 8 TYR HA . . 4.580 4.335 4.285 4.361 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA HA 1 58 GLU HA . . 2.700 2.232 1.677 2.753 0.053 14 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 8 TYR H . . 3.530 2.950 2.663 3.065 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA MB 1 40 TRP HZ3 . . 4.080 3.684 3.203 4.086 0.006 16 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 56 VAL HA . . 3.950 3.953 3.822 4.071 0.121 14 0 "[ . 1 . 2]" 1
64 1 7 ALA MB 1 56 VAL HB . . 2.400 2.010 1.865 2.205 . 0 0 "[ . 1 . 2]" 1
65 1 7 ALA MB 1 56 VAL MG2 . . 3.020 2.922 2.415 3.058 0.038 13 0 "[ . 1 . 2]" 1
66 1 7 ALA MB 1 58 GLU H . . 5.500 3.747 3.083 4.164 . 0 0 "[ . 1 . 2]" 1
67 1 7 ALA MB 1 58 GLU HA . . 2.640 2.691 2.553 2.791 0.151 16 0 "[ . 1 . 2]" 1
68 1 7 ALA MB 1 58 GLU QG . . 4.110 2.445 1.730 3.665 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR H 1 8 TYR QB . . 2.740 2.491 2.389 2.633 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR H 1 56 VAL HB . . 4.900 4.227 3.871 4.458 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR H 1 57 THR MG . . 3.840 3.524 3.322 3.781 . 0 0 "[ . 1 . 2]" 1
72 1 8 TYR H 1 58 GLU HA . . 4.200 3.409 2.530 3.951 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR HA 1 8 TYR QB . . 2.430 2.336 2.277 2.376 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR HA 1 8 TYR QD . . 2.900 2.198 2.052 2.507 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR HA 1 9 VAL H . . 2.480 2.215 2.152 2.388 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR HA 1 28 LYS HA . . 2.400 2.182 2.040 2.385 . 0 0 "[ . 1 . 2]" 1
77 1 8 TYR HA 1 28 LYS HB2 . . 4.100 3.188 2.899 3.368 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR HA 1 28 LYS HG2 . . 4.280 4.201 3.870 4.338 0.058 8 0 "[ . 1 . 2]" 1
79 1 8 TYR HA 1 28 LYS HG3 . . 3.820 3.238 2.967 3.771 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR HA 1 29 VAL H . . 3.730 3.591 3.349 3.759 0.029 20 0 "[ . 1 . 2]" 1
81 1 8 TYR QB 1 9 VAL H . . 4.010 3.064 2.566 3.340 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR QB 1 57 THR MG . . 2.760 2.901 2.844 2.962 0.202 20 0 "[ . 1 . 2]" 1
83 1 8 TYR QD 1 28 LYS HB2 . . 4.020 2.029 1.845 2.450 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR QD 1 28 LYS HG2 . . 3.660 3.758 3.704 3.840 0.180 3 0 "[ . 1 . 2]" 1
85 1 8 TYR QD 1 28 LYS HG3 . . 3.120 2.287 2.086 2.667 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR QD 1 57 THR MG . . 3.450 2.554 2.060 3.066 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR QE 1 28 LYS HB2 . . 4.390 3.092 2.601 3.999 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR QE 1 28 LYS QD . . 4.770 2.419 1.733 3.967 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR QE 1 28 LYS HG3 . . 3.310 2.865 2.447 3.252 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL H 1 9 VAL HB . . 2.870 2.509 2.467 2.574 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL H 1 9 VAL MG2 . . 2.900 2.252 2.081 2.422 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL H 1 10 LYS H . . 5.130 4.530 4.478 4.565 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL H 1 26 GLY H . . 4.210 3.887 3.581 4.064 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL H 1 27 THR H . . 4.720 3.703 3.422 3.990 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL H 1 28 LYS HA . . 3.910 2.956 2.721 3.334 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL H 1 29 VAL H . . 4.520 4.296 3.963 4.582 0.062 14 0 "[ . 1 . 2]" 1
97 1 9 VAL HA 1 9 VAL MG1 . . 2.830 2.403 2.373 2.425 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL HA 1 9 VAL MG2 . . 2.400 2.363 2.334 2.397 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HA 1 10 LYS H . . 2.600 2.126 2.098 2.158 . 0 0 "[ . 1 . 2]" 1
100 1 9 VAL HA 1 11 PHE H . . 4.250 4.123 3.777 4.321 0.071 14 0 "[ . 1 . 2]" 1
101 1 9 VAL HA 1 23 LEU MD2 . . 4.530 4.462 4.184 4.575 0.045 3 0 "[ . 1 . 2]" 1
102 1 9 VAL HA 1 56 VAL HA . . 2.650 2.463 2.218 2.670 0.020 6 0 "[ . 1 . 2]" 1
103 1 9 VAL HB 1 25 LYS HA . . 2.930 2.704 2.364 2.957 0.027 8 0 "[ . 1 . 2]" 1
104 1 9 VAL HB 1 26 GLY H . . 3.180 2.973 2.857 3.167 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL HB 1 27 THR H . . 3.190 2.716 2.507 2.998 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL MG1 1 11 PHE H . . 3.120 2.394 2.024 2.548 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL MG1 1 12 ASN HA . . 4.170 3.328 3.064 3.549 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL MG1 1 23 LEU HA . . 4.230 3.464 3.307 3.616 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL MG1 1 23 LEU HB2 . . 3.300 2.725 2.571 2.834 . 0 0 "[ . 1 . 2]" 1
110 1 9 VAL MG1 1 23 LEU HB3 . . 2.530 1.858 1.766 2.000 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL MG1 1 23 LEU MD1 . . 2.690 2.576 2.464 2.721 0.031 5 0 "[ . 1 . 2]" 1
112 1 9 VAL MG1 1 24 ILE MD . . 4.770 4.568 4.501 4.722 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL MG1 1 25 LYS H . . 4.320 3.087 2.922 3.242 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL MG1 1 25 LYS HA . . 2.400 2.351 2.173 2.428 0.028 18 0 "[ . 1 . 2]" 1
115 1 9 VAL MG1 1 26 GLY H . . 3.950 3.763 3.603 3.949 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL MG2 1 10 LYS H . . 3.810 3.917 3.870 3.981 0.171 16 0 "[ . 1 . 2]" 1
117 1 9 VAL MG2 1 23 LEU HB2 . . 3.680 3.660 3.426 3.735 0.055 9 0 "[ . 1 . 2]" 1
118 1 9 VAL MG2 1 23 LEU HB3 . . 2.770 2.198 1.954 2.274 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL MG2 1 23 LEU MD1 . . 2.550 2.578 2.429 2.619 0.069 20 0 "[ . 1 . 2]" 1
120 1 9 VAL MG2 1 23 LEU MD2 . . 2.480 2.214 1.960 2.455 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL MG2 1 24 ILE H . . 3.040 2.171 1.955 2.345 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL MG2 1 24 ILE HB . . 4.500 4.002 3.867 4.122 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL MG2 1 24 ILE HG12 . . 4.690 4.768 4.704 4.802 0.112 13 0 "[ . 1 . 2]" 1
124 1 9 VAL MG2 1 27 THR H . . 3.820 3.569 3.457 3.696 . 0 0 "[ . 1 . 2]" 1
125 1 9 VAL MG2 1 27 THR MG . . 4.130 4.161 4.012 4.236 0.106 20 0 "[ . 1 . 2]" 1
126 1 9 VAL MG2 1 28 LYS HA . . 4.190 3.103 2.941 3.234 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL MG2 1 29 VAL MG1 . . 3.000 2.117 2.034 2.207 . 0 0 "[ . 1 . 2]" 1
128 1 10 LYS H 1 10 LYS HB2 . . 2.920 2.386 2.240 2.573 . 0 0 "[ . 1 . 2]" 1
129 1 10 LYS H 1 11 PHE H . . 2.750 2.505 2.234 2.746 . 0 0 "[ . 1 . 2]" 1
130 1 10 LYS H 1 56 VAL HA . . 3.520 2.567 2.056 2.780 . 0 0 "[ . 1 . 2]" 1
131 1 10 LYS HA 1 10 LYS HB3 . . 2.890 2.534 2.421 2.626 . 0 0 "[ . 1 . 2]" 1
132 1 10 LYS HA 1 10 LYS QG . . 3.020 2.515 2.233 2.665 . 0 0 "[ . 1 . 2]" 1
133 1 10 LYS HB2 1 11 PHE H . . 3.290 2.559 2.208 3.232 . 0 0 "[ . 1 . 2]" 1
134 1 10 LYS HB3 1 10 LYS QD . . 2.730 2.347 2.095 2.795 0.065 17 0 "[ . 1 . 2]" 1
135 1 10 LYS HB3 1 10 LYS HE2 . . 4.540 3.677 2.491 4.590 0.050 1 0 "[ . 1 . 2]" 1
136 1 10 LYS HB3 1 10 LYS QE . . 3.830 3.022 1.921 4.043 0.213 1 0 "[ . 1 . 2]" 1
137 1 10 LYS HB3 1 10 LYS HE3 . . 4.540 3.509 1.930 4.586 0.046 7 0 "[ . 1 . 2]" 1
138 1 10 LYS QD 1 10 LYS QG . . 2.300 2.048 2.009 2.094 . 0 0 "[ . 1 . 2]" 1
139 1 10 LYS QE 1 10 LYS QG . . 3.330 2.331 2.120 2.694 . 0 0 "[ . 1 . 2]" 1
140 1 10 LYS QG 1 56 VAL HA . . 4.160 2.807 2.394 3.214 . 0 0 "[ . 1 . 2]" 1
141 1 10 LYS QG 1 56 VAL MG2 . . 4.430 4.386 4.097 4.523 0.093 9 0 "[ . 1 . 2]" 1
142 1 11 PHE H 1 12 ASN H . . 4.500 4.400 4.309 4.444 . 0 0 "[ . 1 . 2]" 1
143 1 11 PHE H 1 25 LYS HA . . 4.470 4.197 3.763 4.494 0.024 15 0 "[ . 1 . 2]" 1
144 1 11 PHE HA 1 11 PHE QB . . 2.430 2.339 2.158 2.510 0.080 19 0 "[ . 1 . 2]" 1
145 1 11 PHE HA 1 11 PHE QD . . 3.040 2.765 2.620 3.188 0.148 18 0 "[ . 1 . 2]" 1
146 1 11 PHE HA 1 12 ASN H . . 2.570 2.325 2.215 2.428 . 0 0 "[ . 1 . 2]" 1
147 1 11 PHE HA 1 12 ASN HA . . 4.840 4.307 4.237 4.362 . 0 0 "[ . 1 . 2]" 1
148 1 11 PHE HA 1 25 LYS HB2 . . 3.100 2.267 1.919 2.675 . 0 0 "[ . 1 . 2]" 1
149 1 11 PHE HA 1 25 LYS QD . . 3.940 2.832 2.361 4.029 0.089 13 0 "[ . 1 . 2]" 1
150 1 11 PHE HA 1 25 LYS QE . . 4.490 4.123 2.176 4.550 0.060 2 0 "[ . 1 . 2]" 1
151 1 11 PHE HA 1 25 LYS QG . . 3.620 3.282 2.777 3.653 0.033 9 0 "[ . 1 . 2]" 1
152 1 11 PHE QB 1 12 ASN H . . 3.160 2.671 2.319 3.319 0.159 16 0 "[ . 1 . 2]" 1
153 1 11 PHE QD 1 55 TYR HA . . 3.460 3.134 2.243 3.633 0.173 18 0 "[ . 1 . 2]" 1
154 1 12 ASN H 1 13 TYR H . . 4.530 4.423 4.098 4.562 0.032 6 0 "[ . 1 . 2]" 1
155 1 12 ASN H 1 25 LYS H . . 3.860 3.651 3.351 3.881 0.021 10 0 "[ . 1 . 2]" 1
156 1 12 ASN H 1 25 LYS HB2 . . 4.040 2.804 2.432 3.195 . 0 0 "[ . 1 . 2]" 1
157 1 12 ASN H 1 25 LYS HB3 . . 4.350 3.883 3.412 4.363 0.013 9 0 "[ . 1 . 2]" 1
158 1 12 ASN H 1 25 LYS QG . . 5.480 4.647 4.307 5.078 . 0 0 "[ . 1 . 2]" 1
159 1 12 ASN HA 1 13 TYR H . . 2.420 2.152 2.108 2.294 . 0 0 "[ . 1 . 2]" 1
160 1 12 ASN HA 1 24 ILE HA . . 2.650 2.661 2.474 2.733 0.083 20 0 "[ . 1 . 2]" 1
161 1 12 ASN HA 1 25 LYS H . . 3.240 2.497 2.208 2.866 . 0 0 "[ . 1 . 2]" 1
162 1 13 TYR H 1 13 TYR HB3 . . 4.120 2.624 2.448 2.771 . 0 0 "[ . 1 . 2]" 1
163 1 13 TYR H 1 14 MET H . . 4.600 4.083 3.872 4.399 . 0 0 "[ . 1 . 2]" 1
164 1 13 TYR H 1 23 LEU H . . 3.250 3.081 2.675 3.283 0.033 4 0 "[ . 1 . 2]" 1
165 1 13 TYR H 1 23 LEU HB2 . . 3.190 2.650 2.072 3.006 . 0 0 "[ . 1 . 2]" 1
166 1 13 TYR H 1 23 LEU HB3 . . 4.240 3.902 3.461 4.202 . 0 0 "[ . 1 . 2]" 1
167 1 13 TYR H 1 24 ILE HA . . 5.030 3.702 3.450 4.303 . 0 0 "[ . 1 . 2]" 1
168 1 13 TYR HA 1 13 TYR HB2 . . 2.550 2.457 2.418 2.489 . 0 0 "[ . 1 . 2]" 1
169 1 13 TYR HA 1 13 TYR QD . . 2.700 2.656 2.456 2.713 0.013 12 0 "[ . 1 . 2]" 1
170 1 13 TYR HA 1 14 MET H . . 2.570 2.163 2.123 2.209 . 0 0 "[ . 1 . 2]" 1
171 1 13 TYR HB2 1 14 MET H . . 5.400 4.425 4.258 4.531 . 0 0 "[ . 1 . 2]" 1
172 1 13 TYR HB3 1 14 MET H . . 5.500 4.397 4.254 4.462 . 0 0 "[ . 1 . 2]" 1
173 1 13 TYR HB3 1 23 LEU H . . 4.820 2.467 2.133 2.807 . 0 0 "[ . 1 . 2]" 1
174 1 13 TYR HB3 1 23 LEU HB2 . . 2.700 1.970 1.755 2.277 . 0 0 "[ . 1 . 2]" 1
175 1 13 TYR HB3 1 23 LEU HB3 . . 4.160 3.695 3.485 3.992 . 0 0 "[ . 1 . 2]" 1
176 1 13 TYR HB3 1 23 LEU MD2 . . 4.870 4.216 4.043 4.419 . 0 0 "[ . 1 . 2]" 1
177 1 13 TYR QD 1 23 LEU HA . . 5.200 5.145 4.782 5.283 0.083 19 0 "[ . 1 . 2]" 1
178 1 13 TYR QD 1 23 LEU MD1 . . 4.180 3.547 3.281 3.780 . 0 0 "[ . 1 . 2]" 1
179 1 13 TYR QD 1 23 LEU HG . . 4.080 2.733 2.437 2.938 . 0 0 "[ . 1 . 2]" 1
180 1 13 TYR QD 1 51 PHE HA . . 5.500 4.522 4.226 5.024 . 0 0 "[ . 1 . 2]" 1
181 1 13 TYR QD 1 52 PRO QG . . 5.340 3.767 3.094 4.411 . 0 0 "[ . 1 . 2]" 1
182 1 13 TYR QE 1 15 ALA HA . . 4.070 3.610 3.134 4.026 . 0 0 "[ . 1 . 2]" 1
183 1 13 TYR QE 1 15 ALA MB . . 4.140 3.021 2.235 4.069 . 0 0 "[ . 1 . 2]" 1
184 1 13 TYR QE 1 20 GLU HA . . 4.730 4.344 3.718 4.765 0.035 6 0 "[ . 1 . 2]" 1
185 1 13 TYR QE 1 20 GLU QB . . 3.970 2.818 2.458 3.294 . 0 0 "[ . 1 . 2]" 1
186 1 13 TYR QE 1 20 GLU QG . . 4.200 3.581 3.079 4.234 0.034 6 0 "[ . 1 . 2]" 1
187 1 13 TYR QE 1 23 LEU HG . . 4.760 4.654 4.275 4.791 0.031 20 0 "[ . 1 . 2]" 1
188 1 13 TYR QE 1 51 PHE HA . . 4.180 3.662 3.346 4.177 . 0 0 "[ . 1 . 2]" 1
189 1 13 TYR QE 1 52 PRO QD . . 4.160 3.027 2.788 3.390 . 0 0 "[ . 1 . 2]" 1
190 1 13 TYR QE 1 52 PRO QG . . 4.130 3.180 2.757 3.750 . 0 0 "[ . 1 . 2]" 1
191 1 14 MET H 1 14 MET QB . . 2.870 2.393 2.271 2.750 . 0 0 "[ . 1 . 2]" 1
192 1 14 MET HA 1 14 MET QB . . 2.620 2.373 2.174 2.472 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET HA 1 14 MET QG . . 3.780 2.634 2.319 3.351 . 0 0 "[ . 1 . 2]" 1
194 1 14 MET HA 1 15 ALA H . . 2.680 2.139 2.111 2.275 . 0 0 "[ . 1 . 2]" 1
195 1 14 MET HA 1 22 SER HA . . 3.690 3.464 2.733 3.744 0.054 6 0 "[ . 1 . 2]" 1
196 1 14 MET HA 1 22 SER HB2 . . 4.170 3.619 3.197 4.224 0.054 14 0 "[ . 1 . 2]" 1
197 1 14 MET HA 1 22 SER QB . . 3.340 3.164 2.480 3.403 0.063 11 0 "[ . 1 . 2]" 1
198 1 14 MET HA 1 22 SER HB3 . . 4.170 3.650 2.498 4.255 0.085 11 0 "[ . 1 . 2]" 1
199 1 14 MET QB 1 14 MET QG . . 2.090 2.025 1.978 2.088 . 0 0 "[ . 1 . 2]" 1
200 1 14 MET QG 1 15 ALA H . . 5.260 3.905 2.936 4.752 . 0 0 "[ . 1 . 2]" 1
201 1 15 ALA H 1 15 ALA MB . . 3.030 2.289 2.219 2.448 . 0 0 "[ . 1 . 2]" 1
202 1 15 ALA H 1 22 SER H . . 4.440 4.310 3.750 4.474 0.034 15 0 "[ . 1 . 2]" 1
203 1 15 ALA H 1 22 SER HA . . 4.850 2.594 2.098 3.227 . 0 0 "[ . 1 . 2]" 1
204 1 15 ALA HA 1 16 GLU H . . 2.650 2.232 2.111 2.375 . 0 0 "[ . 1 . 2]" 1
205 1 15 ALA HA 1 17 ARG H . . 5.050 3.892 3.231 4.533 . 0 0 "[ . 1 . 2]" 1
206 1 15 ALA HA 1 20 GLU HB2 . . 4.160 3.695 2.746 4.176 0.016 4 0 "[ . 1 . 2]" 1
207 1 15 ALA HA 1 20 GLU QB . . 3.580 3.022 2.337 3.568 . 0 0 "[ . 1 . 2]" 1
208 1 15 ALA HA 1 20 GLU HB3 . . 4.160 3.223 2.531 3.895 . 0 0 "[ . 1 . 2]" 1
209 1 15 ALA MB 1 16 GLU H . . 4.460 2.898 2.493 3.488 . 0 0 "[ . 1 . 2]" 1
210 1 15 ALA MB 1 17 ARG H . . 4.790 3.391 2.697 3.884 . 0 0 "[ . 1 . 2]" 1
211 1 15 ALA MB 1 20 GLU HA . . 4.010 3.891 3.754 4.018 0.008 13 0 "[ . 1 . 2]" 1
212 1 15 ALA MB 1 20 GLU HB2 . . 3.060 2.095 1.903 2.342 . 0 0 "[ . 1 . 2]" 1
213 1 15 ALA MB 1 20 GLU QB . . 2.530 1.817 1.718 2.205 . 0 0 "[ . 1 . 2]" 1
214 1 15 ALA MB 1 20 GLU HB3 . . 3.060 2.036 1.800 2.691 . 0 0 "[ . 1 . 2]" 1
215 1 15 ALA MB 1 21 LEU HA . . 4.200 3.240 2.872 3.609 . 0 0 "[ . 1 . 2]" 1
216 1 15 ALA MB 1 21 LEU HB3 . . 4.490 4.547 4.398 4.619 0.129 8 0 "[ . 1 . 2]" 1
217 1 15 ALA MB 1 21 LEU QD . . 4.680 3.968 3.615 4.276 . 0 0 "[ . 1 . 2]" 1
218 1 15 ALA MB 1 22 SER H . . 5.150 2.720 2.486 2.950 . 0 0 "[ . 1 . 2]" 1
219 1 15 ALA MB 1 22 SER HA . . 4.260 2.480 2.228 2.924 . 0 0 "[ . 1 . 2]" 1
220 1 16 GLU H 1 16 GLU QB . . 3.460 2.500 2.292 2.676 . 0 0 "[ . 1 . 2]" 1
221 1 16 GLU H 1 17 ARG H . . 2.830 2.093 1.776 2.625 . 0 0 "[ . 1 . 2]" 1
222 1 16 GLU H 1 20 GLU HB2 . . 5.260 3.380 2.713 4.773 . 0 0 "[ . 1 . 2]" 1
223 1 16 GLU H 1 20 GLU HB3 . . 5.260 3.882 3.052 5.273 0.013 7 0 "[ . 1 . 2]" 1
224 1 16 GLU HA 1 16 GLU QB . . 2.580 2.373 2.268 2.513 . 0 0 "[ . 1 . 2]" 1
225 1 16 GLU HA 1 16 GLU QG . . 2.920 2.556 2.357 2.949 0.029 7 0 "[ . 1 . 2]" 1
226 1 16 GLU QB 1 16 GLU QG . . 2.260 2.056 1.981 2.089 . 0 0 "[ . 1 . 2]" 1
227 1 17 ARG H 1 17 ARG HB2 . . 3.730 2.555 2.303 3.635 . 0 0 "[ . 1 . 2]" 1
228 1 17 ARG H 1 17 ARG QB . . 3.100 2.437 2.276 2.931 . 0 0 "[ . 1 . 2]" 1
229 1 17 ARG H 1 17 ARG HB3 . . 3.730 3.474 2.610 3.765 0.035 19 0 "[ . 1 . 2]" 1
230 1 17 ARG H 1 20 GLU H . . 5.120 4.235 3.849 4.549 . 0 0 "[ . 1 . 2]" 1
231 1 17 ARG H 1 20 GLU QB . . 3.260 2.747 2.332 3.078 . 0 0 "[ . 1 . 2]" 1
232 1 17 ARG HA 1 17 ARG HG2 . . 3.620 2.857 2.274 3.669 0.049 4 0 "[ . 1 . 2]" 1
233 1 17 ARG HA 1 17 ARG QG . . 3.100 2.467 2.230 3.269 0.169 17 0 "[ . 1 . 2]" 1
234 1 17 ARG HA 1 17 ARG HG3 . . 3.620 2.907 2.346 3.766 0.146 17 0 "[ . 1 . 2]" 1
235 1 17 ARG HA 1 18 GLU H . . 3.170 2.380 2.177 2.703 . 0 0 "[ . 1 . 2]" 1
236 1 17 ARG HA 1 18 GLU HA . . 4.460 4.265 4.119 4.342 . 0 0 "[ . 1 . 2]" 1
237 1 17 ARG QB 1 17 ARG QD . . 2.620 2.296 2.082 2.445 . 0 0 "[ . 1 . 2]" 1
238 1 17 ARG QB 1 17 ARG QG . . 2.340 2.062 1.998 2.087 . 0 0 "[ . 1 . 2]" 1
239 1 17 ARG HB2 1 17 ARG QD . . 3.430 2.581 2.191 3.293 . 0 0 "[ . 1 . 2]" 1
240 1 17 ARG HB3 1 17 ARG QD . . 3.430 2.775 2.279 3.366 . 0 0 "[ . 1 . 2]" 1
241 1 17 ARG QD 1 17 ARG HG2 . . 2.660 2.280 2.167 2.415 . 0 0 "[ . 1 . 2]" 1
242 1 17 ARG QD 1 17 ARG QG . . 2.230 2.028 1.979 2.091 . 0 0 "[ . 1 . 2]" 1
243 1 17 ARG QD 1 17 ARG HG3 . . 2.660 2.286 2.166 2.383 . 0 0 "[ . 1 . 2]" 1
244 1 18 GLU HA 1 18 GLU QB . . 2.400 2.347 2.261 2.412 0.012 15 0 "[ . 1 . 2]" 1
245 1 18 GLU HA 1 18 GLU QG . . 2.580 2.482 2.271 2.594 0.014 11 0 "[ . 1 . 2]" 1
246 1 18 GLU QB 1 18 GLU QG . . 2.400 2.069 2.013 2.086 . 0 0 "[ . 1 . 2]" 1
247 1 18 GLU QB 1 19 ASP H . . 4.190 2.868 2.688 3.183 . 0 0 "[ . 1 . 2]" 1
248 1 18 GLU QG 1 19 ASP H . . 5.500 4.035 3.707 4.632 . 0 0 "[ . 1 . 2]" 1
249 1 19 ASP H 1 20 GLU H . . 3.240 2.479 2.255 2.721 . 0 0 "[ . 1 . 2]" 1
250 1 19 ASP H 1 20 GLU QB . . 5.340 4.291 4.109 4.410 . 0 0 "[ . 1 . 2]" 1
251 1 19 ASP HA 1 19 ASP HB2 . . 2.760 2.489 2.420 2.546 . 0 0 "[ . 1 . 2]" 1
252 1 19 ASP HA 1 19 ASP QB . . 2.310 2.181 2.174 2.186 . 0 0 "[ . 1 . 2]" 1
253 1 19 ASP HA 1 19 ASP HB3 . . 2.760 2.415 2.359 2.476 . 0 0 "[ . 1 . 2]" 1
254 1 19 ASP QB 1 50 TRP HD1 . . 4.070 2.412 1.773 2.901 . 0 0 "[ . 1 . 2]" 1
255 1 20 GLU H 1 20 GLU QB . . 2.850 2.384 2.286 2.527 . 0 0 "[ . 1 . 2]" 1
256 1 20 GLU H 1 50 TRP HD1 . . 5.040 5.100 5.056 5.166 0.126 18 0 "[ . 1 . 2]" 1
257 1 20 GLU HA 1 20 GLU QB . . 2.530 2.418 2.380 2.461 . 0 0 "[ . 1 . 2]" 1
258 1 20 GLU HA 1 20 GLU HG2 . . 2.850 2.473 2.351 2.554 . 0 0 "[ . 1 . 2]" 1
259 1 20 GLU HA 1 20 GLU QG . . 2.470 2.352 2.258 2.418 . 0 0 "[ . 1 . 2]" 1
260 1 20 GLU HA 1 20 GLU HG3 . . 2.850 2.947 2.813 3.007 0.157 20 0 "[ . 1 . 2]" 1
261 1 20 GLU HA 1 21 LEU H . . 2.820 2.365 2.211 2.496 . 0 0 "[ . 1 . 2]" 1
262 1 20 GLU HA 1 50 TRP H . . 3.630 2.912 2.246 3.513 . 0 0 "[ . 1 . 2]" 1
263 1 20 GLU HA 1 50 TRP HB2 . . 3.910 3.255 2.970 3.582 . 0 0 "[ . 1 . 2]" 1
264 1 20 GLU QB 1 20 GLU QG . . 2.200 2.080 2.075 2.088 . 0 0 "[ . 1 . 2]" 1
265 1 20 GLU QB 1 21 LEU H . . 3.700 2.473 2.229 2.887 . 0 0 "[ . 1 . 2]" 1
266 1 20 GLU HB2 1 21 LEU H . . 4.480 3.783 3.586 4.055 . 0 0 "[ . 1 . 2]" 1
267 1 20 GLU HB3 1 21 LEU H . . 4.480 2.508 2.250 2.956 . 0 0 "[ . 1 . 2]" 1
268 1 20 GLU QG 1 21 LEU H . . 4.680 3.648 3.453 3.891 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU H 1 21 LEU HB3 . . 3.310 2.779 2.466 3.116 . 0 0 "[ . 1 . 2]" 1
270 1 21 LEU HA 1 21 LEU HB2 . . 2.550 2.570 2.431 2.697 0.147 15 0 "[ . 1 . 2]" 1
271 1 21 LEU HA 1 21 LEU MD1 . . 4.030 3.162 1.936 3.813 . 0 0 "[ . 1 . 2]" 1
272 1 21 LEU HA 1 21 LEU QD . . 2.520 2.146 1.910 2.522 0.002 13 0 "[ . 1 . 2]" 1
273 1 21 LEU HA 1 21 LEU MD2 . . 4.030 2.710 1.921 3.902 . 0 0 "[ . 1 . 2]" 1
274 1 21 LEU HA 1 21 LEU HG . . 3.620 2.969 2.496 3.624 0.004 12 0 "[ . 1 . 2]" 1
275 1 21 LEU HA 1 22 SER H . . 2.500 2.165 2.118 2.203 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU HA 1 22 SER HA . . 5.210 4.388 4.351 4.438 . 0 0 "[ . 1 . 2]" 1
277 1 21 LEU HB2 1 21 LEU MD1 . . 3.380 2.543 2.303 3.122 . 0 0 "[ . 1 . 2]" 1
278 1 21 LEU HB2 1 21 LEU QD . . 2.960 2.298 2.107 2.535 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU HB2 1 21 LEU MD2 . . 3.380 2.825 2.347 3.207 . 0 0 "[ . 1 . 2]" 1
280 1 21 LEU HB2 1 23 LEU MD2 . . 5.270 4.303 3.816 4.899 . 0 0 "[ . 1 . 2]" 1
281 1 21 LEU HB3 1 21 LEU MD1 . . 3.340 2.550 2.159 3.200 . 0 0 "[ . 1 . 2]" 1
282 1 21 LEU HB3 1 21 LEU QD . . 2.820 2.169 2.103 2.295 . 0 0 "[ . 1 . 2]" 1
283 1 21 LEU HB3 1 21 LEU MD2 . . 3.340 2.581 2.293 3.149 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU HB3 1 21 LEU HG . . 2.730 2.748 2.449 2.989 0.259 7 0 "[ . 1 . 2]" 1
285 1 21 LEU HB3 1 22 SER H . . 4.600 4.118 3.869 4.258 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU HB3 1 51 PHE HB3 . . 4.130 2.192 1.777 2.653 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU HB3 1 51 PHE QD . . 4.160 3.183 2.645 3.755 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU QD 1 22 SER H . . 3.940 2.233 1.895 2.684 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU QD 1 23 LEU MD2 . . 2.590 1.968 1.757 2.406 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU QD 1 29 VAL MG1 . . 3.780 2.644 2.299 2.929 . 0 0 "[ . 1 . 2]" 1
291 1 21 LEU QD 1 29 VAL MG2 . . 3.710 3.289 2.829 3.515 . 0 0 "[ . 1 . 2]" 1
292 1 21 LEU QD 1 44 TYR H . . 3.970 2.533 2.032 3.306 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU QD 1 44 TYR HB2 . . 3.250 2.360 1.779 2.836 . 0 0 "[ . 1 . 2]" 1
294 1 21 LEU QD 1 44 TYR HB3 . . 3.930 1.799 1.705 2.029 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU QD 1 44 TYR QD . . 4.860 2.772 2.186 3.180 . 0 0 "[ . 1 . 2]" 1
296 1 21 LEU QD 1 51 PHE QD . . 3.300 2.404 1.960 2.956 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU MD1 1 23 LEU MD2 . . 3.540 2.630 1.794 3.596 0.056 2 0 "[ . 1 . 2]" 1
298 1 21 LEU MD1 1 44 TYR H . . 4.510 2.917 2.361 3.729 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU MD1 1 44 TYR HB2 . . 4.250 2.770 1.796 3.542 . 0 0 "[ . 1 . 2]" 1
300 1 21 LEU MD2 1 23 LEU MD2 . . 3.540 2.484 1.801 3.677 0.137 1 0 "[ . 1 . 2]" 1
301 1 21 LEU MD2 1 44 TYR H . . 4.510 3.116 2.067 3.814 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU MD2 1 44 TYR HB2 . . 4.250 2.806 2.102 3.398 . 0 0 "[ . 1 . 2]" 1
303 1 21 LEU HG 1 22 SER H . . 5.240 3.947 3.115 4.847 . 0 0 "[ . 1 . 2]" 1
304 1 22 SER H 1 22 SER HB2 . . 3.920 3.252 2.481 3.607 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER H 1 22 SER QB . . 3.150 2.594 2.284 2.854 . 0 0 "[ . 1 . 2]" 1
306 1 22 SER H 1 22 SER HB3 . . 3.920 2.842 2.633 3.610 . 0 0 "[ . 1 . 2]" 1
307 1 22 SER HA 1 22 SER HB2 . . 2.760 2.590 2.507 2.993 0.233 19 0 "[ . 1 . 2]" 1
308 1 22 SER HA 1 22 SER QB . . 2.350 2.240 2.166 2.402 0.052 11 0 "[ . 1 . 2]" 1
309 1 22 SER HA 1 22 SER HB3 . . 2.760 2.502 2.288 2.992 0.232 4 0 "[ . 1 . 2]" 1
310 1 22 SER HA 1 23 LEU H . . 2.850 2.157 2.120 2.237 . 0 0 "[ . 1 . 2]" 1
311 1 22 SER HA 1 23 LEU HA . . 4.980 4.380 4.340 4.423 . 0 0 "[ . 1 . 2]" 1
312 1 22 SER HA 1 23 LEU MD2 . . 4.920 4.248 3.942 4.576 . 0 0 "[ . 1 . 2]" 1
313 1 22 SER QB 1 23 LEU MD2 . . 5.310 4.803 4.497 5.190 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 23 LEU HB2 . . 3.120 2.575 2.461 2.666 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU HA 1 23 LEU HB3 . . 2.610 2.446 2.409 2.472 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU HA 1 23 LEU MD2 . . 2.400 2.028 1.941 2.115 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU HA 1 23 LEU HG . . 3.500 3.245 3.169 3.311 . 0 0 "[ . 1 . 2]" 1
318 1 23 LEU HA 1 24 ILE H . . 2.830 2.213 2.157 2.285 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HA 1 24 ILE HA . . 4.640 4.407 4.382 4.439 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU HB2 1 23 LEU MD1 . . 2.770 2.376 2.333 2.423 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU HB3 1 23 LEU MD1 . . 2.740 2.316 2.280 2.350 . 0 0 "[ . 1 . 2]" 1
322 1 23 LEU HB3 1 23 LEU MD2 . . 2.770 2.431 2.404 2.477 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU HB3 1 24 ILE H . . 3.910 2.920 2.698 3.207 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU HB3 1 25 LYS H . . 5.310 5.180 5.067 5.318 0.008 11 0 "[ . 1 . 2]" 1
325 1 23 LEU MD1 1 51 PHE HB2 . . 4.330 2.020 1.756 2.254 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU MD1 1 51 PHE QD . . 4.130 2.614 2.361 3.076 . 0 0 "[ . 1 . 2]" 1
327 1 23 LEU MD1 1 52 PRO QD . . 4.440 2.996 2.463 3.527 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU MD1 1 55 TYR QB . . 2.690 2.210 1.945 2.727 0.037 7 0 "[ . 1 . 2]" 1
329 1 23 LEU MD1 1 56 VAL MG1 . . 2.400 2.278 1.979 2.453 0.053 11 0 "[ . 1 . 2]" 1
330 1 23 LEU MD1 1 56 VAL MG2 . . 4.620 4.008 3.811 4.176 . 0 0 "[ . 1 . 2]" 1
331 1 23 LEU MD2 1 29 VAL MG1 . . 3.220 1.805 1.602 1.980 . 0 0 "[ . 1 . 2]" 1
332 1 23 LEU MD2 1 29 VAL MG2 . . 3.670 3.064 2.812 3.213 . 0 0 "[ . 1 . 2]" 1
333 1 23 LEU MD2 1 44 TYR HB3 . . 4.430 3.887 3.648 4.495 0.065 4 0 "[ . 1 . 2]" 1
334 1 23 LEU MD2 1 44 TYR QD . . 3.870 3.906 3.759 3.997 0.127 7 0 "[ . 1 . 2]" 1
335 1 23 LEU MD2 1 51 PHE HB2 . . 4.430 3.190 2.718 3.831 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD2 1 51 PHE HB3 . . 3.830 2.958 2.655 3.351 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU MD2 1 51 PHE QD . . 4.230 3.354 3.146 3.535 . 0 0 "[ . 1 . 2]" 1
338 1 23 LEU MD2 1 55 TYR QB . . 5.340 4.531 4.278 5.032 . 0 0 "[ . 1 . 2]" 1
339 1 24 ILE H 1 24 ILE HB . . 3.040 2.599 2.548 2.649 . 0 0 "[ . 1 . 2]" 1
340 1 24 ILE H 1 24 ILE HG12 . . 4.180 2.904 2.730 3.026 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE H 1 25 LYS H . . 4.110 4.214 4.190 4.244 0.134 10 0 "[ . 1 . 2]" 1
342 1 24 ILE H 1 27 THR H . . 5.120 4.348 4.203 4.541 . 0 0 "[ . 1 . 2]" 1
343 1 24 ILE HA 1 24 ILE MD . . 2.770 2.010 1.954 2.080 . 0 0 "[ . 1 . 2]" 1
344 1 24 ILE HA 1 24 ILE HG12 . . 3.210 3.028 2.995 3.067 . 0 0 "[ . 1 . 2]" 1
345 1 24 ILE HA 1 24 ILE HG13 . . 3.910 3.728 3.705 3.758 . 0 0 "[ . 1 . 2]" 1
346 1 24 ILE HA 1 24 ILE MG . . 2.400 2.433 2.415 2.463 0.063 17 0 "[ . 1 . 2]" 1
347 1 24 ILE HA 1 25 LYS H . . 2.420 2.153 2.129 2.181 . 0 0 "[ . 1 . 2]" 1
348 1 24 ILE HB 1 24 ILE MD . . 3.360 3.234 3.226 3.244 . 0 0 "[ . 1 . 2]" 1
349 1 24 ILE HB 1 24 ILE HG13 . . 2.400 2.441 2.433 2.448 0.048 4 0 "[ . 1 . 2]" 1
350 1 24 ILE HB 1 27 THR MG . . 2.400 2.179 1.982 2.319 . 0 0 "[ . 1 . 2]" 1
351 1 24 ILE MD 1 27 THR MG . . 4.360 4.251 4.085 4.364 0.004 18 0 "[ . 1 . 2]" 1
352 1 24 ILE HG13 1 27 THR MG . . 3.510 3.387 3.143 3.530 0.020 14 0 "[ . 1 . 2]" 1
353 1 24 ILE MG 1 25 LYS H . . 3.380 2.902 2.758 2.990 . 0 0 "[ . 1 . 2]" 1
354 1 24 ILE MG 1 26 GLY HA3 . . 4.840 3.707 3.611 3.771 . 0 0 "[ . 1 . 2]" 1
355 1 24 ILE MG 1 27 THR H . . 5.340 3.358 3.192 3.674 . 0 0 "[ . 1 . 2]" 1
356 1 24 ILE MG 1 27 THR MG . . 2.700 2.304 2.168 2.437 . 0 0 "[ . 1 . 2]" 1
357 1 25 LYS H 1 25 LYS HB2 . . 2.820 2.525 2.422 2.631 . 0 0 "[ . 1 . 2]" 1
358 1 25 LYS H 1 25 LYS HB3 . . 2.700 2.562 2.381 2.694 . 0 0 "[ . 1 . 2]" 1
359 1 25 LYS H 1 25 LYS QG . . 4.150 3.972 3.951 3.991 . 0 0 "[ . 1 . 2]" 1
360 1 25 LYS HA 1 25 LYS HB2 . . 2.530 2.460 2.384 2.520 . 0 0 "[ . 1 . 2]" 1
361 1 25 LYS HA 1 25 LYS QG . . 2.550 2.485 2.398 2.605 0.055 7 0 "[ . 1 . 2]" 1
362 1 25 LYS HA 1 26 GLY H . . 2.570 2.152 2.140 2.165 . 0 0 "[ . 1 . 2]" 1
363 1 25 LYS HA 1 27 THR H . . 4.020 3.468 3.354 3.564 . 0 0 "[ . 1 . 2]" 1
364 1 25 LYS HB2 1 25 LYS QE . . 4.280 3.574 2.256 4.036 . 0 0 "[ . 1 . 2]" 1
365 1 25 LYS HB2 1 25 LYS QG . . 2.400 2.327 2.249 2.384 . 0 0 "[ . 1 . 2]" 1
366 1 25 LYS HB3 1 25 LYS QG . . 2.550 2.358 2.302 2.429 . 0 0 "[ . 1 . 2]" 1
367 1 25 LYS HB3 1 26 GLY H . . 4.580 4.263 4.165 4.356 . 0 0 "[ . 1 . 2]" 1
368 1 25 LYS QD 1 25 LYS QE . . 2.480 2.076 1.992 2.092 . 0 0 "[ . 1 . 2]" 1
369 1 25 LYS QD 1 25 LYS QG . . 2.200 2.062 1.991 2.093 . 0 0 "[ . 1 . 2]" 1
370 1 25 LYS HD2 1 25 LYS QG . . 2.550 2.300 2.170 2.403 . 0 0 "[ . 1 . 2]" 1
371 1 25 LYS HD3 1 25 LYS QG . . 2.550 2.340 2.167 2.416 . 0 0 "[ . 1 . 2]" 1
372 1 25 LYS QE 1 25 LYS QG . . 2.400 2.222 2.110 2.527 0.127 12 0 "[ . 1 . 2]" 1
373 1 25 LYS QG 1 26 GLY H . . 3.300 2.906 2.739 2.990 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLY H 1 27 THR H . . 2.910 2.434 2.217 2.566 . 0 0 "[ . 1 . 2]" 1
375 1 27 THR H 1 27 THR MG . . 2.920 2.595 2.469 2.760 . 0 0 "[ . 1 . 2]" 1
376 1 27 THR HA 1 27 THR HB . . 2.550 2.456 2.440 2.475 . 0 0 "[ . 1 . 2]" 1
377 1 27 THR HA 1 27 THR MG . . 2.700 2.356 2.318 2.395 . 0 0 "[ . 1 . 2]" 1
378 1 27 THR HA 1 28 LYS H . . 2.820 2.597 2.462 2.693 . 0 0 "[ . 1 . 2]" 1
379 1 27 THR HB 1 28 LYS H . . 2.700 1.995 1.862 2.157 . 0 0 "[ . 1 . 2]" 1
380 1 27 THR HB 1 44 TYR QD . . 5.020 3.827 3.509 4.167 . 0 0 "[ . 1 . 2]" 1
381 1 27 THR HB 1 44 TYR QE . . 2.550 1.998 1.763 2.582 0.032 4 0 "[ . 1 . 2]" 1
382 1 27 THR MG 1 28 LYS H . . 3.960 3.545 3.491 3.594 . 0 0 "[ . 1 . 2]" 1
383 1 27 THR MG 1 44 TYR QE . . 3.610 2.767 2.382 3.072 . 0 0 "[ . 1 . 2]" 1
384 1 28 LYS H 1 28 LYS HB3 . . 2.840 2.670 2.568 2.766 . 0 0 "[ . 1 . 2]" 1
385 1 28 LYS HA 1 28 LYS HB2 . . 2.400 2.431 2.403 2.462 0.062 11 0 "[ . 1 . 2]" 1
386 1 28 LYS HA 1 28 LYS HG2 . . 3.110 2.902 2.663 3.073 . 0 0 "[ . 1 . 2]" 1
387 1 28 LYS HA 1 28 LYS HG3 . . 3.900 2.857 2.690 3.243 . 0 0 "[ . 1 . 2]" 1
388 1 28 LYS HA 1 29 VAL H . . 2.440 2.199 2.161 2.221 . 0 0 "[ . 1 . 2]" 1
389 1 28 LYS HA 1 29 VAL MG1 . . 4.410 3.482 3.405 3.537 . 0 0 "[ . 1 . 2]" 1
390 1 28 LYS HB2 1 28 LYS HG3 . . 2.580 2.302 2.207 2.364 . 0 0 "[ . 1 . 2]" 1
391 1 28 LYS HB3 1 28 LYS QE . . 2.660 1.923 1.755 2.686 0.026 1 0 "[ . 1 . 2]" 1
392 1 28 LYS QD 1 28 LYS HG2 . . 2.550 2.331 2.179 2.392 . 0 0 "[ . 1 . 2]" 1
393 1 28 LYS QD 1 28 LYS HG3 . . 2.560 2.208 2.170 2.356 . 0 0 "[ . 1 . 2]" 1
394 1 28 LYS QD 1 30 ILE MD . . 4.280 3.511 2.580 4.067 . 0 0 "[ . 1 . 2]" 1
395 1 28 LYS HG2 1 29 VAL MG1 . . 5.330 4.583 4.373 4.725 . 0 0 "[ . 1 . 2]" 1
396 1 28 LYS HG2 1 30 ILE MD . . 4.360 3.658 3.451 3.891 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL H 1 29 VAL MG1 . . 3.480 2.509 2.345 2.593 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL HA 1 29 VAL HB . . 2.440 2.357 2.336 2.374 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL HA 1 29 VAL MG1 . . 2.720 2.440 2.384 2.510 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL HA 1 30 ILE H . . 2.770 2.423 2.343 2.515 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL HA 1 44 TYR HB2 . . 4.270 3.212 2.632 3.795 . 0 0 "[ . 1 . 2]" 1
402 1 29 VAL HA 1 44 TYR QD . . 3.090 2.915 2.583 3.138 0.048 16 0 "[ . 1 . 2]" 1
403 1 29 VAL HB 1 29 VAL MG2 . . 2.520 2.133 2.128 2.139 . 0 0 "[ . 1 . 2]" 1
404 1 29 VAL HB 1 30 ILE H . . 3.030 2.453 2.305 2.620 . 0 0 "[ . 1 . 2]" 1
405 1 29 VAL HB 1 44 TYR QD . . 4.220 4.042 3.598 4.312 0.092 4 0 "[ . 1 . 2]" 1
406 1 29 VAL MG1 1 44 TYR HB2 . . 3.030 2.261 2.073 2.392 . 0 0 "[ . 1 . 2]" 1
407 1 29 VAL MG1 1 44 TYR HB3 . . 4.110 3.527 3.167 3.811 . 0 0 "[ . 1 . 2]" 1
408 1 29 VAL MG1 1 44 TYR QD . . 3.250 2.424 1.888 3.057 . 0 0 "[ . 1 . 2]" 1
409 1 29 VAL MG1 1 44 TYR QE . . 4.210 3.855 3.389 4.016 . 0 0 "[ . 1 . 2]" 1
410 1 29 VAL MG2 1 30 ILE H . . 4.350 3.026 2.821 3.171 . 0 0 "[ . 1 . 2]" 1
411 1 29 VAL MG2 1 31 VAL MG2 . . 3.070 2.368 2.256 2.480 . 0 0 "[ . 1 . 2]" 1
412 1 29 VAL MG2 1 51 PHE QD . . 3.730 3.655 3.619 3.711 . 0 0 "[ . 1 . 2]" 1
413 1 29 VAL MG2 1 51 PHE QE . . 4.210 2.755 2.430 2.974 . 0 0 "[ . 1 . 2]" 1
414 1 29 VAL MG2 1 56 VAL MG2 . . 5.110 3.935 3.457 4.171 . 0 0 "[ . 1 . 2]" 1
415 1 30 ILE H 1 30 ILE HB . . 2.860 2.584 2.535 2.655 . 0 0 "[ . 1 . 2]" 1
416 1 30 ILE H 1 30 ILE MD . . 4.640 3.602 3.532 3.691 . 0 0 "[ . 1 . 2]" 1
417 1 30 ILE H 1 30 ILE HG12 . . 3.170 2.541 2.403 2.649 . 0 0 "[ . 1 . 2]" 1
418 1 30 ILE H 1 30 ILE MG . . 4.370 3.830 3.803 3.859 . 0 0 "[ . 1 . 2]" 1
419 1 30 ILE H 1 43 SER H . . 3.140 2.803 2.498 3.052 . 0 0 "[ . 1 . 2]" 1
420 1 30 ILE HA 1 30 ILE MD . . 2.620 2.087 2.004 2.161 . 0 0 "[ . 1 . 2]" 1
421 1 30 ILE HA 1 30 ILE HG12 . . 3.000 3.045 3.014 3.069 0.069 20 0 "[ . 1 . 2]" 1
422 1 30 ILE HA 1 30 ILE HG13 . . 4.240 3.769 3.731 3.802 . 0 0 "[ . 1 . 2]" 1
423 1 30 ILE HA 1 30 ILE MG . . 2.630 2.382 2.349 2.421 . 0 0 "[ . 1 . 2]" 1
424 1 30 ILE HA 1 31 VAL H . . 2.680 2.193 2.144 2.239 . 0 0 "[ . 1 . 2]" 1
425 1 30 ILE HA 1 42 GLY QA . . 5.160 4.924 4.713 5.086 . 0 0 "[ . 1 . 2]" 1
426 1 30 ILE HA 1 43 SER H . . 5.500 4.466 4.293 4.679 . 0 0 "[ . 1 . 2]" 1
427 1 30 ILE HB 1 30 ILE MD . . 3.200 3.232 3.228 3.237 0.037 7 0 "[ . 1 . 2]" 1
428 1 30 ILE HB 1 30 ILE HG12 . . 2.630 2.477 2.452 2.501 . 0 0 "[ . 1 . 2]" 1
429 1 30 ILE HB 1 30 ILE HG13 . . 2.400 2.417 2.397 2.439 0.039 1 0 "[ . 1 . 2]" 1
430 1 30 ILE HB 1 43 SER H . . 3.810 2.768 2.620 2.958 . 0 0 "[ . 1 . 2]" 1
431 1 30 ILE HB 1 43 SER QB . . 3.340 3.125 2.702 3.463 0.123 18 0 "[ . 1 . 2]" 1
432 1 30 ILE HG13 1 30 ILE MG . . 2.630 2.403 2.358 2.438 . 0 0 "[ . 1 . 2]" 1
433 1 30 ILE HG13 1 43 SER QB . . 4.390 4.459 4.421 4.498 0.108 19 0 "[ . 1 . 2]" 1
434 1 30 ILE MG 1 31 VAL H . . 3.810 3.174 3.038 3.306 . 0 0 "[ . 1 . 2]" 1
435 1 30 ILE MG 1 32 MET ME . . 4.010 3.675 3.058 4.078 0.068 14 0 "[ . 1 . 2]" 1
436 1 30 ILE MG 1 43 SER QB . . 4.260 3.981 3.635 4.254 . 0 0 "[ . 1 . 2]" 1
437 1 31 VAL H 1 31 VAL HB . . 2.950 2.659 2.545 2.770 . 0 0 "[ . 1 . 2]" 1
438 1 31 VAL H 1 31 VAL MG2 . . 3.160 2.169 2.016 2.332 . 0 0 "[ . 1 . 2]" 1
439 1 31 VAL HA 1 31 VAL MG1 . . 2.400 2.304 2.236 2.370 . 0 0 "[ . 1 . 2]" 1
440 1 31 VAL HA 1 31 VAL MG2 . . 2.540 2.470 2.387 2.568 0.028 20 0 "[ . 1 . 2]" 1
441 1 31 VAL HA 1 32 MET H . . 2.700 2.162 2.136 2.211 . 0 0 "[ . 1 . 2]" 1
442 1 31 VAL HA 1 42 GLY HA2 . . 3.050 2.505 2.238 2.912 . 0 0 "[ . 1 . 2]" 1
443 1 31 VAL HA 1 42 GLY HA3 . . 3.050 2.758 2.470 3.082 0.032 10 0 "[ . 1 . 2]" 1
444 1 31 VAL HA 1 43 SER H . . 4.230 3.817 3.654 4.032 . 0 0 "[ . 1 . 2]" 1
445 1 31 VAL HB 1 34 LYS HG2 . . 5.500 4.389 3.961 4.757 . 0 0 "[ . 1 . 2]" 1
446 1 31 VAL MG1 1 32 MET H . . 3.840 3.053 2.600 3.316 . 0 0 "[ . 1 . 2]" 1
447 1 31 VAL MG1 1 32 MET ME . . 4.840 4.896 4.855 4.944 0.104 18 0 "[ . 1 . 2]" 1
448 1 31 VAL MG1 1 34 LYS QD . . 3.400 2.914 1.772 3.435 0.035 6 0 "[ . 1 . 2]" 1
449 1 31 VAL MG1 1 34 LYS QE . . 3.280 2.504 1.797 3.474 0.194 5 0 "[ . 1 . 2]" 1
450 1 31 VAL MG1 1 34 LYS HG3 . . 3.440 2.356 1.979 2.708 . 0 0 "[ . 1 . 2]" 1
451 1 31 VAL MG1 1 40 TRP HA . . 5.070 4.161 3.768 4.744 . 0 0 "[ . 1 . 2]" 1
452 1 31 VAL MG1 1 40 TRP HB2 . . 4.210 3.558 3.193 4.051 . 0 0 "[ . 1 . 2]" 1
453 1 31 VAL MG1 1 40 TRP HB3 . . 3.440 2.301 2.013 2.769 . 0 0 "[ . 1 . 2]" 1
454 1 31 VAL MG1 1 40 TRP HE3 . . 3.650 2.804 2.398 3.144 . 0 0 "[ . 1 . 2]" 1
455 1 31 VAL MG1 1 40 TRP HZ2 . . 5.450 5.305 5.030 5.534 0.084 3 0 "[ . 1 . 2]" 1
456 1 31 VAL MG1 1 51 PHE HZ . . 4.250 2.850 2.455 3.345 . 0 0 "[ . 1 . 2]" 1
457 1 31 VAL MG2 1 34 LYS QD . . 4.520 4.336 3.330 4.723 0.203 14 0 "[ . 1 . 2]" 1
458 1 31 VAL MG2 1 40 TRP HE3 . . 3.070 2.622 2.090 2.941 . 0 0 "[ . 1 . 2]" 1
459 1 31 VAL MG2 1 40 TRP HZ3 . . 4.250 3.277 3.011 3.603 . 0 0 "[ . 1 . 2]" 1
460 1 31 VAL MG2 1 51 PHE QE . . 3.180 2.651 2.486 2.900 . 0 0 "[ . 1 . 2]" 1
461 1 31 VAL MG2 1 51 PHE HZ . . 2.630 1.751 1.721 1.776 . 0 0 "[ . 1 . 2]" 1
462 1 31 VAL MG2 1 56 VAL MG2 . . 3.410 3.233 2.795 3.500 0.090 17 0 "[ . 1 . 2]" 1
463 1 32 MET H 1 32 MET HB3 . . 3.520 3.597 3.560 3.653 0.133 1 0 "[ . 1 . 2]" 1
464 1 32 MET H 1 32 MET HG3 . . 5.200 2.726 2.443 3.131 . 0 0 "[ . 1 . 2]" 1
465 1 32 MET H 1 33 GLU H . . 3.080 2.344 1.934 2.826 . 0 0 "[ . 1 . 2]" 1
466 1 32 MET H 1 42 GLY H . . 5.430 4.858 4.645 5.221 . 0 0 "[ . 1 . 2]" 1
467 1 32 MET H 1 42 GLY HA2 . . 4.180 2.462 2.086 2.803 . 0 0 "[ . 1 . 2]" 1
468 1 32 MET H 1 42 GLY HA3 . . 4.180 3.791 3.458 4.205 0.025 9 0 "[ . 1 . 2]" 1
469 1 32 MET H 1 43 SER H . . 5.500 4.176 3.656 4.669 . 0 0 "[ . 1 . 2]" 1
470 1 32 MET HA 1 32 MET HB3 . . 2.770 2.524 2.480 2.563 . 0 0 "[ . 1 . 2]" 1
471 1 32 MET HA 1 32 MET ME . . 4.110 4.179 4.155 4.204 0.094 11 0 "[ . 1 . 2]" 1
472 1 32 MET HA 1 32 MET HG2 . . 2.910 2.666 2.571 2.732 . 0 0 "[ . 1 . 2]" 1
473 1 32 MET HA 1 32 MET HG3 . . 2.700 2.739 2.686 2.780 0.080 7 0 "[ . 1 . 2]" 1
474 1 32 MET HB2 1 32 MET ME . . 2.510 1.795 1.764 1.875 . 0 0 "[ . 1 . 2]" 1
475 1 32 MET HB2 1 32 MET HG3 . . 2.700 2.563 2.523 2.588 . 0 0 "[ . 1 . 2]" 1
476 1 32 MET HB2 1 33 GLU QB . . 4.160 3.673 3.337 3.962 . 0 0 "[ . 1 . 2]" 1
477 1 32 MET HB3 1 32 MET HG2 . . 2.480 2.331 2.311 2.362 . 0 0 "[ . 1 . 2]" 1
478 1 32 MET HB3 1 32 MET HG3 . . 3.040 2.989 2.980 2.999 . 0 0 "[ . 1 . 2]" 1
479 1 32 MET HB3 1 33 GLU H . . 4.300 3.489 2.823 3.981 . 0 0 "[ . 1 . 2]" 1
480 1 32 MET ME 1 43 SER HB2 . . 3.940 3.379 2.672 3.986 0.046 8 0 "[ . 1 . 2]" 1
481 1 32 MET ME 1 43 SER HB3 . . 3.940 2.583 2.254 3.269 . 0 0 "[ . 1 . 2]" 1
482 1 32 MET ME 1 48 VAL MG1 . . 4.490 3.910 3.623 4.439 . 0 0 "[ . 1 . 2]" 1
483 1 32 MET ME 1 48 VAL MG2 . . 2.550 2.068 1.780 2.562 0.012 7 0 "[ . 1 . 2]" 1
484 1 33 GLU HA 1 33 GLU QB . . 2.430 2.381 2.330 2.520 0.090 20 0 "[ . 1 . 2]" 1
485 1 33 GLU HA 1 33 GLU QG . . 3.300 2.556 2.236 3.035 . 0 0 "[ . 1 . 2]" 1
486 1 33 GLU QB 1 33 GLU QG . . 2.400 2.049 1.986 2.087 . 0 0 "[ . 1 . 2]" 1
487 1 33 GLU QB 1 41 ARG QB . . 3.090 2.107 1.702 3.001 . 0 0 "[ . 1 . 2]" 1
488 1 33 GLU QG 1 41 ARG QB . . 4.490 3.566 2.768 4.514 0.024 3 0 "[ . 1 . 2]" 1
489 1 34 LYS HA 1 34 LYS HG2 . . 3.640 2.518 2.457 2.605 . 0 0 "[ . 1 . 2]" 1
490 1 34 LYS HA 1 34 LYS HG3 . . 4.210 3.132 2.938 3.319 . 0 0 "[ . 1 . 2]" 1
491 1 34 LYS HA 1 40 TRP HA . . 3.240 2.793 2.386 3.263 0.023 18 0 "[ . 1 . 2]" 1
492 1 34 LYS HA 1 40 TRP HD1 . . 4.120 2.703 2.435 3.035 . 0 0 "[ . 1 . 2]" 1
493 1 34 LYS HB2 1 34 LYS QD . . 3.220 2.573 2.394 3.143 . 0 0 "[ . 1 . 2]" 1
494 1 34 LYS HB3 1 34 LYS QD . . 2.900 2.432 2.230 2.986 0.086 18 0 "[ . 1 . 2]" 1
495 1 34 LYS HB3 1 34 LYS HG2 . . 2.770 2.467 2.416 2.543 . 0 0 "[ . 1 . 2]" 1
496 1 34 LYS HB3 1 40 TRP HA . . 5.300 4.743 4.170 5.361 0.061 18 0 "[ . 1 . 2]" 1
497 1 34 LYS HB3 1 40 TRP HH2 . . 5.500 5.493 5.088 5.671 0.171 9 0 "[ . 1 . 2]" 1
498 1 34 LYS HB3 1 40 TRP HZ2 . . 4.520 3.892 3.711 4.106 . 0 0 "[ . 1 . 2]" 1
499 1 34 LYS QD 1 34 LYS QE . . 2.330 2.077 2.066 2.086 . 0 0 "[ . 1 . 2]" 1
500 1 34 LYS QD 1 40 TRP HZ2 . . 4.200 3.218 2.703 4.421 0.221 2 0 "[ . 1 . 2]" 1
501 1 34 LYS QE 1 34 LYS HG2 . . 3.670 2.551 2.284 3.293 . 0 0 "[ . 1 . 2]" 1
502 1 34 LYS QE 1 34 LYS HG3 . . 3.500 2.578 2.360 3.306 . 0 0 "[ . 1 . 2]" 1
503 1 34 LYS QE 1 40 TRP HD1 . . 5.340 5.372 4.841 5.517 0.177 9 0 "[ . 1 . 2]" 1
504 1 34 LYS QE 1 40 TRP HE3 . . 5.340 3.881 2.980 5.364 0.024 1 0 "[ . 1 . 2]" 1
505 1 34 LYS QE 1 40 TRP HH2 . . 4.240 3.572 2.773 4.396 0.156 5 0 "[ . 1 . 2]" 1
506 1 34 LYS QE 1 40 TRP HZ2 . . 4.680 3.721 2.298 4.303 . 0 0 "[ . 1 . 2]" 1
507 1 34 LYS HE2 1 34 LYS HG3 . . 4.090 3.142 2.458 3.721 . 0 0 "[ . 1 . 2]" 1
508 1 34 LYS HE2 1 40 TRP HZ2 . . 5.470 4.227 2.914 5.477 0.007 5 0 "[ . 1 . 2]" 1
509 1 34 LYS HE3 1 34 LYS HG3 . . 4.090 2.862 2.442 3.746 . 0 0 "[ . 1 . 2]" 1
510 1 34 LYS HE3 1 40 TRP HZ2 . . 5.470 4.709 2.341 5.557 0.087 16 0 "[ . 1 . 2]" 1
511 1 34 LYS HG2 1 40 TRP HA . . 4.880 4.256 3.871 4.901 0.021 2 0 "[ . 1 . 2]" 1
512 1 34 LYS HG2 1 40 TRP HB2 . . 5.500 4.507 3.904 5.241 . 0 0 "[ . 1 . 2]" 1
513 1 34 LYS HG2 1 40 TRP HB3 . . 4.260 3.227 2.613 3.985 . 0 0 "[ . 1 . 2]" 1
514 1 34 LYS HG2 1 40 TRP HD1 . . 4.680 3.981 3.757 4.486 . 0 0 "[ . 1 . 2]" 1
515 1 34 LYS HG2 1 40 TRP HE3 . . 4.860 3.895 3.593 4.297 . 0 0 "[ . 1 . 2]" 1
516 1 34 LYS HG2 1 40 TRP HH2 . . 5.500 5.203 4.797 5.564 0.064 13 0 "[ . 1 . 2]" 1
517 1 34 LYS HG2 1 40 TRP HZ2 . . 5.120 4.633 4.287 5.126 0.006 5 0 "[ . 1 . 2]" 1
518 1 35 CYS HA 1 35 CYS QB . . 2.550 2.362 2.183 2.473 . 0 0 "[ . 1 . 2]" 1
519 1 35 CYS QB 1 50 TRP HZ3 . . 4.210 3.441 2.170 4.274 0.064 2 0 "[ . 1 . 2]" 1
520 1 37 ASP HA 1 37 ASP QB . . 2.320 2.284 2.169 2.428 0.108 13 0 "[ . 1 . 2]" 1
521 1 39 TRP HA 1 40 TRP H . . 3.230 2.192 2.108 2.441 . 0 0 "[ . 1 . 2]" 1
522 1 39 TRP HA 1 40 TRP HD1 . . 4.530 4.435 4.022 4.605 0.075 19 0 "[ . 1 . 2]" 1
523 1 39 TRP HA 1 50 TRP HE3 . . 5.500 4.272 3.636 5.526 0.026 6 0 "[ . 1 . 2]" 1
524 1 39 TRP HA 1 52 PRO HA . . 3.100 2.916 2.639 3.154 0.054 1 0 "[ . 1 . 2]" 1
525 1 39 TRP HA 1 53 SER H . . 4.990 3.480 2.262 4.347 . 0 0 "[ . 1 . 2]" 1
526 1 39 TRP HE3 1 50 TRP HA . . 4.710 3.999 3.805 4.781 0.071 6 0 "[ . 1 . 2]" 1
527 1 39 TRP HE3 1 50 TRP HB3 . . 4.210 2.359 2.063 3.347 . 0 0 "[ . 1 . 2]" 1
528 1 39 TRP HE3 1 51 PHE HA . . 4.840 3.065 2.598 3.816 . 0 0 "[ . 1 . 2]" 1
529 1 39 TRP HE3 1 52 PRO HA . . 5.500 4.045 3.265 4.350 . 0 0 "[ . 1 . 2]" 1
530 1 39 TRP HZ3 1 50 TRP HA . . 5.500 5.367 4.818 5.533 0.033 11 0 "[ . 1 . 2]" 1
531 1 39 TRP HZ3 1 51 PHE HA . . 3.430 2.858 2.386 3.489 0.059 6 0 "[ . 1 . 2]" 1
532 1 39 TRP HZ3 1 52 PRO QD . . 3.720 2.806 2.362 3.527 . 0 0 "[ . 1 . 2]" 1
533 1 40 TRP HA 1 40 TRP HB3 . . 2.710 2.571 2.508 2.623 . 0 0 "[ . 1 . 2]" 1
534 1 40 TRP HA 1 40 TRP HD1 . . 2.400 2.122 2.031 2.278 . 0 0 "[ . 1 . 2]" 1
535 1 40 TRP HA 1 50 TRP HE3 . . 4.670 3.602 3.166 4.014 . 0 0 "[ . 1 . 2]" 1
536 1 40 TRP HA 1 50 TRP HZ3 . . 4.650 3.685 3.251 3.999 . 0 0 "[ . 1 . 2]" 1
537 1 40 TRP HE3 1 56 VAL MG2 . . 3.750 2.463 2.115 3.084 . 0 0 "[ . 1 . 2]" 1
538 1 40 TRP HZ3 1 56 VAL MG2 . . 3.680 2.386 1.992 2.845 . 0 0 "[ . 1 . 2]" 1
539 1 41 ARG HA 1 41 ARG QG . . 3.050 2.341 1.991 2.506 . 0 0 "[ . 1 . 2]" 1
540 1 41 ARG HA 1 42 GLY H . . 2.860 2.137 2.084 2.185 . 0 0 "[ . 1 . 2]" 1
541 1 41 ARG HA 1 50 TRP HA . . 2.550 2.411 2.007 2.592 0.042 18 0 "[ . 1 . 2]" 1
542 1 41 ARG QB 1 50 TRP HZ2 . . 5.170 4.225 3.751 4.876 . 0 0 "[ . 1 . 2]" 1
543 1 41 ARG QB 1 50 TRP HZ3 . . 5.310 3.070 2.659 4.039 . 0 0 "[ . 1 . 2]" 1
544 1 41 ARG HB2 1 41 ARG QD . . 3.470 2.567 2.262 3.400 . 0 0 "[ . 1 . 2]" 1
545 1 41 ARG HB3 1 41 ARG QD . . 3.470 2.597 2.332 3.233 . 0 0 "[ . 1 . 2]" 1
546 1 41 ARG QD 1 50 TRP HZ2 . . 4.280 3.470 2.806 4.336 0.056 9 0 "[ . 1 . 2]" 1
547 1 41 ARG QG 1 42 GLY H . . 3.330 3.213 2.956 3.365 0.035 1 0 "[ . 1 . 2]" 1
548 1 42 GLY H 1 51 PHE QE . . 4.430 3.125 2.705 3.809 . 0 0 "[ . 1 . 2]" 1
549 1 42 GLY QA 1 43 SER H . . 2.780 2.240 2.177 2.274 . 0 0 "[ . 1 . 2]" 1
550 1 42 GLY QA 1 51 PHE QE . . 3.400 1.824 1.741 2.163 . 0 0 "[ . 1 . 2]" 1
551 1 42 GLY HA2 1 43 SER H . . 3.180 2.403 2.260 2.489 . 0 0 "[ . 1 . 2]" 1
552 1 42 GLY HA3 1 43 SER H . . 3.180 2.691 2.569 2.844 . 0 0 "[ . 1 . 2]" 1
553 1 43 SER HA 1 43 SER HB2 . . 2.880 2.410 2.271 2.587 . 0 0 "[ . 1 . 2]" 1
554 1 43 SER HA 1 43 SER QB . . 2.300 2.212 2.178 2.255 . 0 0 "[ . 1 . 2]" 1
555 1 43 SER HA 1 43 SER HB3 . . 2.880 2.696 2.344 2.989 0.109 3 0 "[ . 1 . 2]" 1
556 1 43 SER HA 1 44 TYR H . . 2.510 2.197 2.078 2.265 . 0 0 "[ . 1 . 2]" 1
557 1 43 SER HA 1 44 TYR HB3 . . 5.500 4.359 4.231 4.553 . 0 0 "[ . 1 . 2]" 1
558 1 43 SER HA 1 48 VAL HA . . 2.400 2.001 1.733 2.413 0.013 7 0 "[ . 1 . 2]" 1
559 1 43 SER HA 1 48 VAL HB . . 4.930 3.709 3.499 3.930 . 0 0 "[ . 1 . 2]" 1
560 1 43 SER HA 1 48 VAL MG2 . . 2.830 2.323 1.781 2.780 . 0 0 "[ . 1 . 2]" 1
561 1 43 SER QB 1 48 VAL HA . . 3.870 3.122 2.450 3.879 0.009 7 0 "[ . 1 . 2]" 1
562 1 43 SER HB2 1 48 VAL HA . . 4.560 3.410 2.475 4.508 . 0 0 "[ . 1 . 2]" 1
563 1 43 SER HB2 1 48 VAL MG2 . . 2.620 2.219 1.656 2.785 0.165 9 0 "[ . 1 . 2]" 1
564 1 43 SER HB3 1 48 VAL HA . . 4.560 4.005 3.590 4.603 0.043 16 0 "[ . 1 . 2]" 1
565 1 43 SER HB3 1 48 VAL MG2 . . 2.620 2.319 1.743 2.898 0.278 16 0 "[ . 1 . 2]" 1
566 1 44 TYR H 1 44 TYR HB3 . . 4.110 2.706 2.417 2.862 . 0 0 "[ . 1 . 2]" 1
567 1 44 TYR H 1 47 GLN H . . 3.630 3.484 3.055 3.698 0.068 7 0 "[ . 1 . 2]" 1
568 1 44 TYR H 1 48 VAL HA . . 4.190 3.080 2.755 3.314 . 0 0 "[ . 1 . 2]" 1
569 1 44 TYR H 1 49 GLY H . . 5.110 5.000 4.675 5.160 0.050 20 0 "[ . 1 . 2]" 1
570 1 44 TYR HA 1 44 TYR HB2 . . 2.550 2.394 2.362 2.478 . 0 0 "[ . 1 . 2]" 1
571 1 44 TYR HA 1 44 TYR QD . . 2.850 2.648 1.960 2.874 0.024 9 0 "[ . 1 . 2]" 1
572 1 45 ASN HA 1 45 ASN QB . . 2.570 2.376 2.320 2.439 . 0 0 "[ . 1 . 2]" 1
573 1 45 ASN HA 1 46 GLY H . . 3.250 3.108 2.157 3.495 0.245 9 0 "[ . 1 . 2]" 1
574 1 46 GLY H 1 47 GLN H . . 3.400 2.212 1.787 2.836 . 0 0 "[ . 1 . 2]" 1
575 1 47 GLN H 1 47 GLN QB . . 3.190 2.566 2.341 2.860 . 0 0 "[ . 1 . 2]" 1
576 1 47 GLN H 1 48 VAL H . . 5.210 4.429 4.282 4.600 . 0 0 "[ . 1 . 2]" 1
577 1 47 GLN HA 1 47 GLN QG . . 2.620 2.472 2.270 2.766 0.146 6 0 "[ . 1 . 2]" 1
578 1 47 GLN HA 1 48 VAL H . . 2.700 2.317 2.129 2.695 . 0 0 "[ . 1 . 2]" 1
579 1 47 GLN QB 1 47 GLN QG . . 2.270 2.057 1.987 2.090 . 0 0 "[ . 1 . 2]" 1
580 1 48 VAL H 1 48 VAL HB . . 3.010 2.863 2.581 3.028 0.018 20 0 "[ . 1 . 2]" 1
581 1 48 VAL H 1 48 VAL MG2 . . 3.900 3.926 3.831 3.982 0.082 20 0 "[ . 1 . 2]" 1
582 1 48 VAL HA 1 48 VAL HB . . 2.790 2.620 2.598 2.649 . 0 0 "[ . 1 . 2]" 1
583 1 48 VAL HA 1 48 VAL MG1 . . 3.250 3.173 3.148 3.187 . 0 0 "[ . 1 . 2]" 1
584 1 48 VAL HA 1 48 VAL MG2 . . 2.400 2.248 2.216 2.293 . 0 0 "[ . 1 . 2]" 1
585 1 48 VAL HA 1 49 GLY H . . 2.760 2.390 2.318 2.457 . 0 0 "[ . 1 . 2]" 1
586 1 48 VAL HB 1 49 GLY H . . 5.310 4.093 4.013 4.200 . 0 0 "[ . 1 . 2]" 1
587 1 48 VAL MG1 1 49 GLY H . . 3.420 3.071 2.864 3.253 . 0 0 "[ . 1 . 2]" 1
588 1 48 VAL MG1 1 49 GLY HA2 . . 3.470 2.910 2.706 3.187 . 0 0 "[ . 1 . 2]" 1
589 1 48 VAL MG2 1 49 GLY HA2 . . 4.280 3.523 3.377 3.691 . 0 0 "[ . 1 . 2]" 1
590 1 49 GLY HA2 1 50 TRP H . . 3.600 2.920 2.783 3.230 . 0 0 "[ . 1 . 2]" 1
591 1 50 TRP HA 1 50 TRP HE3 . . 3.510 3.181 2.986 3.455 . 0 0 "[ . 1 . 2]" 1
592 1 51 PHE HA 1 51 PHE HB3 . . 2.700 2.489 2.453 2.517 . 0 0 "[ . 1 . 2]" 1
593 1 51 PHE HA 1 52 PRO HD2 . . 3.060 2.922 2.470 3.045 . 0 0 "[ . 1 . 2]" 1
594 1 51 PHE HA 1 52 PRO QD . . 2.320 1.877 1.817 2.149 . 0 0 "[ . 1 . 2]" 1
595 1 51 PHE HA 1 52 PRO HD3 . . 3.060 1.907 1.834 2.362 . 0 0 "[ . 1 . 2]" 1
596 1 51 PHE HB2 1 52 PRO QD . . 4.080 2.406 2.024 2.475 . 0 0 "[ . 1 . 2]" 1
597 1 51 PHE HB2 1 52 PRO QG . . 4.420 4.383 3.738 4.468 0.048 5 0 "[ . 1 . 2]" 1
598 1 51 PHE HB3 1 52 PRO QD . . 4.090 3.547 3.361 3.619 . 0 0 "[ . 1 . 2]" 1
599 1 51 PHE QD 1 52 PRO QD . . 4.160 3.306 3.124 3.493 . 0 0 "[ . 1 . 2]" 1
600 1 51 PHE QD 1 53 SER HA . . 4.950 3.477 3.193 3.781 . 0 0 "[ . 1 . 2]" 1
601 1 51 PHE QD 1 56 VAL MG2 . . 3.690 3.293 2.980 3.556 . 0 0 "[ . 1 . 2]" 1
602 1 51 PHE QE 1 53 SER HA . . 3.320 2.851 2.402 3.237 . 0 0 "[ . 1 . 2]" 1
603 1 51 PHE QE 1 56 VAL HA . . 4.910 5.016 4.978 5.072 0.162 13 0 "[ . 1 . 2]" 1
604 1 51 PHE QE 1 56 VAL MG1 . . 2.450 2.207 1.987 2.400 . 0 0 "[ . 1 . 2]" 1
605 1 51 PHE QE 1 56 VAL MG2 . . 2.400 1.789 1.716 1.943 . 0 0 "[ . 1 . 2]" 1
606 1 53 SER H 1 55 TYR H . . 5.150 4.436 4.204 4.633 . 0 0 "[ . 1 . 2]" 1
607 1 53 SER HA 1 53 SER HB2 . . 2.700 2.551 2.362 2.962 0.262 16 0 "[ . 1 . 2]" 1
608 1 53 SER HA 1 53 SER QB . . 2.240 2.211 2.168 2.347 0.107 12 0 "[ . 1 . 2]" 1
609 1 53 SER HA 1 53 SER HB3 . . 2.700 2.505 2.303 2.984 0.284 3 0 "[ . 1 . 2]" 1
610 1 53 SER HA 1 56 VAL MG2 . . 3.190 2.407 2.045 2.928 . 0 0 "[ . 1 . 2]" 1
611 1 54 ASN H 1 54 ASN QB . . 3.340 2.319 2.177 2.513 . 0 0 "[ . 1 . 2]" 1
612 1 54 ASN H 1 55 TYR H . . 3.110 2.658 2.475 2.921 . 0 0 "[ . 1 . 2]" 1
613 1 54 ASN HA 1 54 ASN HB2 . . 3.010 2.782 2.428 3.027 0.017 2 0 "[ . 1 . 2]" 1
614 1 54 ASN HA 1 54 ASN QB . . 2.620 2.394 2.334 2.442 . 0 0 "[ . 1 . 2]" 1
615 1 54 ASN HA 1 54 ASN HB3 . . 3.010 2.749 2.432 3.027 0.017 19 0 "[ . 1 . 2]" 1
616 1 55 TYR H 1 55 TYR QB . . 2.860 2.459 2.298 2.625 . 0 0 "[ . 1 . 2]" 1
617 1 55 TYR H 1 56 VAL H . . 3.290 2.441 2.125 2.725 . 0 0 "[ . 1 . 2]" 1
618 1 55 TYR HA 1 55 TYR QB . . 2.640 2.401 2.337 2.483 . 0 0 "[ . 1 . 2]" 1
619 1 55 TYR HA 1 55 TYR QD . . 4.260 2.791 2.003 3.151 . 0 0 "[ . 1 . 2]" 1
620 1 56 VAL H 1 56 VAL MG1 . . 4.080 3.105 2.985 3.224 . 0 0 "[ . 1 . 2]" 1
621 1 56 VAL H 1 56 VAL MG2 . . 3.010 2.229 2.076 2.317 . 0 0 "[ . 1 . 2]" 1
622 1 56 VAL HA 1 56 VAL HB . . 2.550 2.495 2.457 2.537 . 0 0 "[ . 1 . 2]" 1
623 1 56 VAL HA 1 56 VAL MG1 . . 2.530 2.263 2.223 2.317 . 0 0 "[ . 1 . 2]" 1
624 1 57 THR HA 1 57 THR HB . . 3.000 3.008 2.965 3.028 0.028 1 0 "[ . 1 . 2]" 1
625 1 57 THR HA 1 57 THR MG . . 2.770 2.569 2.417 2.760 . 0 0 "[ . 1 . 2]" 1
626 1 57 THR HA 1 58 GLU H . . 2.790 2.201 2.155 2.283 . 0 0 "[ . 1 . 2]" 1
627 1 57 THR HA 1 58 GLU HA . . 5.320 4.434 4.365 4.508 . 0 0 "[ . 1 . 2]" 1
628 1 57 THR MG 1 58 GLU H . . 5.500 3.191 2.730 3.404 . 0 0 "[ . 1 . 2]" 1
629 1 57 THR MG 1 59 GLU H . . 4.000 3.623 2.864 4.050 0.050 16 0 "[ . 1 . 2]" 1
630 1 58 GLU H 1 58 GLU QB . . 3.260 2.474 2.385 2.568 . 0 0 "[ . 1 . 2]" 1
631 1 58 GLU H 1 58 GLU QG . . 4.810 2.380 2.032 2.974 . 0 0 "[ . 1 . 2]" 1
632 1 58 GLU H 1 59 GLU H . . 3.770 3.005 2.514 3.364 . 0 0 "[ . 1 . 2]" 1
633 1 58 GLU HA 1 58 GLU QG . . 2.370 2.410 2.324 2.541 0.171 17 0 "[ . 1 . 2]" 1
634 1 58 GLU HA 1 59 GLU HA . . 4.670 4.628 4.546 4.748 0.078 20 0 "[ . 1 . 2]" 1
635 1 58 GLU QB 1 58 GLU QG . . 2.100 2.062 2.014 2.088 . 0 0 "[ . 1 . 2]" 1
636 1 58 GLU QB 1 59 GLU H . . 2.540 1.907 1.746 2.140 . 0 0 "[ . 1 . 2]" 1
637 1 58 GLU HB2 1 59 GLU H . . 2.980 1.934 1.777 2.185 . 0 0 "[ . 1 . 2]" 1
638 1 58 GLU HB3 1 59 GLU H . . 2.980 2.931 2.563 3.062 0.082 2 0 "[ . 1 . 2]" 1
639 1 59 GLU H 1 59 GLU QB . . 3.020 2.751 2.406 2.941 . 0 0 "[ . 1 . 2]" 1
640 1 59 GLU H 1 60 GLY H . . 3.560 3.267 1.786 3.663 0.103 9 0 "[ . 1 . 2]" 1
641 1 59 GLU HA 1 59 GLU QG . . 3.110 2.545 2.280 3.063 . 0 0 "[ . 1 . 2]" 1
642 1 59 GLU HA 1 60 GLY H . . 2.840 2.355 2.106 2.947 0.107 18 0 "[ . 1 . 2]" 1
643 1 59 GLU QB 1 59 GLU QG . . 2.200 2.047 1.972 2.090 . 0 0 "[ . 1 . 2]" 1
644 1 59 GLU HB2 1 59 GLU QG . . 2.550 2.300 2.153 2.418 . 0 0 "[ . 1 . 2]" 1
645 1 59 GLU HB3 1 59 GLU QG . . 2.550 2.309 2.156 2.401 . 0 0 "[ . 1 . 2]" 1
646 1 61 ASP H 1 61 ASP QB . . 3.640 2.637 2.271 3.246 . 0 0 "[ . 1 . 2]" 1
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