NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524144 |
2l6r   |
17322 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l6r
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 606
_Distance_constraint_stats_list.Viol_count 2884
_Distance_constraint_stats_list.Viol_total 3643.055
_Distance_constraint_stats_list.Viol_max 0.657
_Distance_constraint_stats_list.Viol_rms 0.0443
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0167
_Distance_constraint_stats_list.Viol_average_violations_only 0.0665
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 2.066 0.335 16 0 "[ . 1 . ]"
1 2 VAL 2.416 0.335 16 0 "[ . 1 . ]"
1 3 ARG 0.479 0.185 12 0 "[ . 1 . ]"
1 4 GLN 1.508 0.097 5 0 "[ . 1 . ]"
1 5 GLU 2.063 0.335 16 0 "[ . 1 . ]"
1 6 GLU 3.872 0.193 14 0 "[ . 1 . ]"
1 7 LEU 9.735 0.193 14 0 "[ . 1 . ]"
1 8 ALA 5.108 0.148 13 0 "[ . 1 . ]"
1 9 ALA 2.279 0.128 9 0 "[ . 1 . ]"
1 10 ALA 5.622 0.167 5 0 "[ . 1 . ]"
1 11 ARG 28.255 0.274 3 0 "[ . 1 . ]"
1 12 ALA 10.342 0.272 14 0 "[ . 1 . ]"
1 13 ALA 12.169 0.657 7 4 "[ . +* 1 .-* ]"
1 14 LEU 27.127 0.274 3 0 "[ . 1 . ]"
1 15 HIS 2.216 0.147 15 0 "[ . 1 . ]"
1 16 ASP 2.881 0.090 10 0 "[ . 1 . ]"
1 17 LEU 13.382 0.193 12 0 "[ . 1 . ]"
1 18 MET 7.584 0.193 12 0 "[ . 1 . ]"
1 19 THR 1.039 0.087 11 0 "[ . 1 . ]"
1 20 GLY 0.402 0.054 11 0 "[ . 1 . ]"
1 21 LYS 6.024 0.211 4 0 "[ . 1 . ]"
1 22 ARG 7.001 0.218 7 0 "[ . 1 . ]"
1 23 VAL 2.026 0.086 11 0 "[ . 1 . ]"
1 24 ALA 4.774 0.136 17 0 "[ . 1 . ]"
1 25 THR 1.114 0.067 7 0 "[ . 1 . ]"
1 26 VAL 14.674 0.657 7 4 "[ . +* 1 .-* ]"
1 27 GLN 3.955 0.197 7 0 "[ . 1 . ]"
1 28 LYS 10.391 0.297 18 0 "[ . 1 . ]"
1 29 ASP 9.005 0.297 18 0 "[ . 1 . ]"
1 30 GLY 0.260 0.060 16 0 "[ . 1 . ]"
1 31 ARG 4.233 0.149 16 0 "[ . 1 . ]"
1 32 ARG 6.474 0.149 16 0 "[ . 1 . ]"
1 33 VAL 10.539 0.202 15 0 "[ . 1 . ]"
1 34 GLU 7.746 0.191 15 0 "[ . 1 . ]"
1 35 PHE 10.404 0.200 16 0 "[ . 1 . ]"
1 36 THR 7.389 0.136 17 0 "[ . 1 . ]"
1 37 ALA 10.007 0.218 7 0 "[ . 1 . ]"
1 38 THR 2.950 0.105 17 0 "[ . 1 . ]"
1 39 SER 0.463 0.172 18 0 "[ . 1 . ]"
1 40 VAL 17.107 0.275 19 0 "[ . 1 . ]"
1 41 SER 5.861 0.202 19 0 "[ . 1 . ]"
1 42 ASP 4.963 0.249 5 0 "[ . 1 . ]"
1 43 LEU 17.100 0.249 5 0 "[ . 1 . ]"
1 44 LYS 10.848 0.186 8 0 "[ . 1 . ]"
1 45 LYS 3.204 0.140 1 0 "[ . 1 . ]"
1 46 TYR 5.731 0.310 17 0 "[ . 1 . ]"
1 47 ILE 10.012 0.212 12 0 "[ . 1 . ]"
1 48 ALA 1.977 0.084 18 0 "[ . 1 . ]"
1 49 GLU 1.865 0.230 14 0 "[ . 1 . ]"
1 50 LEU 5.079 0.116 8 0 "[ . 1 . ]"
1 51 GLU 1.713 0.054 12 0 "[ . 1 . ]"
1 52 VAL 2.141 0.128 9 0 "[ . 1 . ]"
1 53 GLN 3.944 0.219 18 0 "[ . 1 . ]"
1 54 THR 1.751 0.066 18 0 "[ . 1 . ]"
1 55 GLY 1.035 0.125 5 0 "[ . 1 . ]"
1 56 MET 0.602 0.117 10 0 "[ . 1 . ]"
1 57 THR 0.195 0.070 1 0 "[ . 1 . ]"
1 58 GLN 1.275 0.153 5 0 "[ . 1 . ]"
1 59 ARG 1.141 0.153 5 0 "[ . 1 . ]"
1 60 ARG 0.062 0.048 3 0 "[ . 1 . ]"
1 61 ARG 0.189 0.137 16 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 2 VAL QG 4.100 3.100 5.100 4.060 3.129 5.033 . 0 0 "[ . 1 . ]" 1
2 1 1 MET QB 1 2 VAL H 2.600 . 3.300 2.806 2.284 3.303 0.003 4 0 "[ . 1 . ]" 1
3 1 1 MET ME 1 4 GLN QB 2.900 2.200 3.600 3.427 2.868 3.602 0.002 3 0 "[ . 1 . ]" 1
4 1 1 MET QG 1 2 VAL H 4.800 3.600 6.000 4.076 3.660 4.561 . 0 0 "[ . 1 . ]" 1
5 1 1 MET QG 1 4 GLN QB 3.800 2.900 4.700 3.984 2.929 4.711 0.011 14 0 "[ . 1 . ]" 1
6 1 1 MET HG2 1 2 VAL H 2.600 . 3.300 2.308 1.902 3.528 0.228 12 0 "[ . 1 . ]" 1
7 1 1 MET HG2 1 3 ARG H 3.700 2.800 4.600 3.759 3.626 4.128 . 0 0 "[ . 1 . ]" 1
8 1 1 MET HG2 1 4 GLN H 4.100 3.100 5.100 4.704 3.978 5.013 . 0 0 "[ . 1 . ]" 1
9 1 1 MET HG2 1 5 GLU H 4.000 3.000 5.000 4.996 4.321 5.335 0.335 16 0 "[ . 1 . ]" 1
10 1 2 VAL H 1 2 VAL HB 2.600 . 3.300 2.698 2.232 2.936 . 0 0 "[ . 1 . ]" 1
11 1 2 VAL HA 1 5 GLU QB 4.000 3.000 5.000 3.279 2.986 4.157 0.014 4 0 "[ . 1 . ]" 1
12 1 2 VAL HA 1 5 GLU QG 4.400 3.300 5.500 4.857 3.758 5.438 . 0 0 "[ . 1 . ]" 1
13 1 2 VAL HB 1 3 ARG H 3.000 2.200 3.800 2.828 2.339 3.985 0.185 12 0 "[ . 1 . ]" 1
14 1 2 VAL HB 1 5 GLU QB 4.300 3.200 5.400 5.367 5.259 5.415 0.015 2 0 "[ . 1 . ]" 1
15 1 2 VAL QG 1 4 GLN QB 4.400 3.300 5.500 4.935 4.531 5.323 . 0 0 "[ . 1 . ]" 1
16 1 2 VAL QG 1 5 GLU QB 3.300 3.100 4.100 3.152 3.081 3.304 0.019 9 0 "[ . 1 . ]" 1
17 1 2 VAL QG 1 5 GLU QG 3.400 2.500 4.300 4.272 4.087 4.325 0.025 9 0 "[ . 1 . ]" 1
18 1 3 ARG H 1 3 ARG QB 2.300 . 2.900 2.499 2.390 2.577 . 0 0 "[ . 1 . ]" 1
19 1 3 ARG H 1 3 ARG QG 2.600 . 3.300 2.043 1.899 2.340 0.001 16 0 "[ . 1 . ]" 1
20 1 3 ARG HA 1 4 GLN H 2.900 2.200 3.600 3.510 3.450 3.547 . 0 0 "[ . 1 . ]" 1
21 1 3 ARG HA 1 6 GLU QB 2.700 . 3.400 2.449 2.316 2.763 . 0 0 "[ . 1 . ]" 1
22 1 3 ARG HA 1 50 LEU QD 3.800 2.900 4.700 4.447 3.875 4.715 0.015 9 0 "[ . 1 . ]" 1
23 1 3 ARG QB 1 4 GLN H 3.000 2.200 3.800 2.776 2.607 3.009 . 0 0 "[ . 1 . ]" 1
24 1 3 ARG QB 1 7 LEU QD 3.600 2.700 4.500 4.512 4.494 4.541 0.041 5 0 "[ . 1 . ]" 1
25 1 3 ARG QB 1 50 LEU QD 3.600 2.700 4.500 3.562 3.070 3.867 . 0 0 "[ . 1 . ]" 1
26 1 3 ARG QB 1 54 THR MG 3.700 2.800 4.600 3.385 2.817 4.246 . 0 0 "[ . 1 . ]" 1
27 1 3 ARG QD 1 50 LEU QD 3.400 2.500 4.300 3.676 3.277 3.980 . 0 0 "[ . 1 . ]" 1
28 1 3 ARG QD 1 53 GLN QB 4.400 3.300 5.500 3.972 3.291 4.446 0.009 19 0 "[ . 1 . ]" 1
29 1 3 ARG QD 1 54 THR HA 4.600 3.500 5.700 5.037 4.149 5.696 . 0 0 "[ . 1 . ]" 1
30 1 3 ARG QD 1 54 THR MG 4.200 3.100 5.300 3.774 3.111 4.655 . 0 0 "[ . 1 . ]" 1
31 1 3 ARG QG 1 50 LEU QD 4.000 3.000 5.000 4.107 3.677 4.391 . 0 0 "[ . 1 . ]" 1
32 1 4 GLN H 1 4 GLN HA 3.000 2.200 3.800 2.852 2.801 2.903 . 0 0 "[ . 1 . ]" 1
33 1 4 GLN H 1 4 GLN QB 2.300 . 2.900 2.237 2.143 2.278 . 0 0 "[ . 1 . ]" 1
34 1 4 GLN H 1 4 GLN QG 3.600 2.700 4.500 3.756 2.628 4.082 0.072 13 0 "[ . 1 . ]" 1
35 1 4 GLN H 1 5 GLU H 3.300 2.500 4.100 2.740 2.515 2.824 . 0 0 "[ . 1 . ]" 1
36 1 4 GLN HA 1 5 GLU H 4.400 3.300 5.500 3.564 3.523 3.578 . 0 0 "[ . 1 . ]" 1
37 1 4 GLN HA 1 7 LEU QB 3.400 3.000 4.200 2.943 2.903 2.974 0.097 5 0 "[ . 1 . ]" 1
38 1 4 GLN HA 1 7 LEU QD 4.200 3.100 5.300 3.781 3.503 4.418 . 0 0 "[ . 1 . ]" 1
39 1 4 GLN HA 1 7 LEU HG 4.700 3.500 5.900 5.187 4.531 5.523 . 0 0 "[ . 1 . ]" 1
40 1 4 GLN HA 1 54 THR MG 3.600 2.700 4.500 4.285 3.464 4.520 0.020 15 0 "[ . 1 . ]" 1
41 1 4 GLN QB 1 54 THR MG 4.000 3.000 5.000 4.490 3.223 5.032 0.032 5 0 "[ . 1 . ]" 1
42 1 4 GLN QG 1 54 THR MG 3.800 2.900 4.700 4.511 3.171 4.743 0.043 8 0 "[ . 1 . ]" 1
43 1 5 GLU H 1 5 GLU HA 3.200 2.400 4.000 2.885 2.856 2.904 . 0 0 "[ . 1 . ]" 1
44 1 5 GLU H 1 5 GLU QB 2.500 . 3.100 2.280 2.219 2.388 . 0 0 "[ . 1 . ]" 1
45 1 5 GLU H 1 5 GLU QG 3.400 2.600 4.200 3.706 2.576 4.077 0.024 15 0 "[ . 1 . ]" 1
46 1 5 GLU H 1 6 GLU H 2.800 2.100 3.500 2.670 2.568 2.767 . 0 0 "[ . 1 . ]" 1
47 1 5 GLU HA 1 6 GLU H 2.900 2.200 3.600 3.578 3.552 3.589 . 0 0 "[ . 1 . ]" 1
48 1 5 GLU HA 1 8 ALA MB 2.600 . 3.300 3.072 2.972 3.192 . 0 0 "[ . 1 . ]" 1
49 1 5 GLU QB 1 6 GLU H 2.800 2.100 3.500 2.456 2.352 2.630 . 0 0 "[ . 1 . ]" 1
50 1 5 GLU QB 1 8 ALA MB 4.300 3.200 5.400 4.572 4.262 4.729 . 0 0 "[ . 1 . ]" 1
51 1 5 GLU QG 1 8 ALA MB 4.200 3.100 5.300 3.856 3.455 4.523 . 0 0 "[ . 1 . ]" 1
52 1 6 GLU H 1 6 GLU HA 2.900 2.200 3.600 2.834 2.816 2.873 . 0 0 "[ . 1 . ]" 1
53 1 6 GLU H 1 6 GLU QG 3.100 2.300 3.900 3.407 2.355 3.977 0.077 13 0 "[ . 1 . ]" 1
54 1 6 GLU HA 1 9 ALA MB 2.700 . 3.400 2.519 2.316 2.755 . 0 0 "[ . 1 . ]" 1
55 1 6 GLU QB 1 7 LEU H 4.400 3.300 5.000 3.128 3.107 3.161 0.193 14 0 "[ . 1 . ]" 1
56 1 6 GLU QB 1 50 LEU QD 3.900 3.000 4.400 3.943 3.578 4.245 . 0 0 "[ . 1 . ]" 1
57 1 7 LEU H 1 7 LEU HA 3.300 2.500 4.100 2.917 2.911 2.921 . 0 0 "[ . 1 . ]" 1
58 1 7 LEU H 1 7 LEU QB 2.800 2.100 3.400 2.244 2.229 2.263 . 0 0 "[ . 1 . ]" 1
59 1 7 LEU HA 1 10 ALA MB 3.000 2.300 3.700 3.051 2.801 3.309 . 0 0 "[ . 1 . ]" 1
60 1 7 LEU HA 1 47 ILE MG 4.800 3.600 6.000 4.896 4.468 5.296 . 0 0 "[ . 1 . ]" 1
61 1 7 LEU HA 1 50 LEU QB 4.500 3.400 5.600 5.023 4.823 5.176 . 0 0 "[ . 1 . ]" 1
62 1 7 LEU HA 1 50 LEU QD 4.200 3.100 5.300 3.370 3.126 3.553 . 0 0 "[ . 1 . ]" 1
63 1 7 LEU QB 1 50 LEU QB 4.300 3.400 5.400 4.282 3.900 4.757 . 0 0 "[ . 1 . ]" 1
64 1 7 LEU QB 1 50 LEU QD 4.700 3.500 5.300 3.575 3.419 3.986 0.081 5 0 "[ . 1 . ]" 1
65 1 7 LEU QD 1 10 ALA HA 4.400 3.300 5.500 5.594 5.563 5.652 0.152 5 0 "[ . 1 . ]" 1
66 1 7 LEU QD 1 10 ALA MB . 3.400 4.000 3.312 3.233 3.336 0.167 5 0 "[ . 1 . ]" 1
67 1 7 LEU QD 1 11 ARG QD 3.100 2.300 3.900 2.411 2.260 2.821 0.040 13 0 "[ . 1 . ]" 1
68 1 7 LEU QD 1 47 ILE HA 3.600 2.700 4.500 3.785 3.340 4.123 . 0 0 "[ . 1 . ]" 1
69 1 7 LEU QD 1 47 ILE MG 2.400 . 3.000 2.538 2.262 2.753 . 0 0 "[ . 1 . ]" 1
70 1 7 LEU QD 1 50 LEU QB 3.600 2.700 4.000 2.809 2.584 2.984 0.116 8 0 "[ . 1 . ]" 1
71 1 7 LEU QD 1 51 GLU H 3.600 2.700 4.500 4.491 4.278 4.543 0.043 14 0 "[ . 1 . ]" 1
72 1 7 LEU QD 1 51 GLU QB 4.100 3.100 5.100 4.871 4.663 5.153 0.053 7 0 "[ . 1 . ]" 1
73 1 7 LEU QD 1 51 GLU QG 3.400 3.000 4.300 3.452 2.996 4.192 0.004 13 0 "[ . 1 . ]" 1
74 1 7 LEU QD 1 54 THR MG 4.100 3.100 4.500 4.157 3.729 4.537 0.037 7 0 "[ . 1 . ]" 1
75 1 8 ALA H 1 8 ALA MB 3.100 2.300 3.900 2.262 2.258 2.264 0.042 14 0 "[ . 1 . ]" 1
76 1 8 ALA HA 1 11 ARG QB 3.500 2.600 4.400 2.478 2.452 2.499 0.148 13 0 "[ . 1 . ]" 1
77 1 8 ALA HA 1 11 ARG QD 3.200 2.400 4.000 4.109 4.084 4.139 0.139 10 0 "[ . 1 . ]" 1
78 1 8 ALA MB 1 11 ARG QB 4.300 3.200 5.400 3.747 3.717 3.774 . 0 0 "[ . 1 . ]" 1
79 1 9 ALA H 1 12 ALA H 3.500 2.600 4.400 4.508 4.490 4.528 0.128 9 0 "[ . 1 . ]" 1
80 1 9 ALA HA 1 12 ALA MB 2.300 . 2.900 2.772 2.695 2.849 . 0 0 "[ . 1 . ]" 1
81 1 9 ALA MB 1 10 ALA H 3.100 2.300 3.900 2.298 2.296 2.302 0.004 17 0 "[ . 1 . ]" 1
82 1 9 ALA MB 1 26 VAL HA 4.100 3.100 5.100 4.653 4.185 5.053 . 0 0 "[ . 1 . ]" 1
83 1 9 ALA MB 1 26 VAL HB 4.700 3.500 5.900 5.753 5.264 5.973 0.073 9 0 "[ . 1 . ]" 1
84 1 9 ALA MB 1 26 VAL QG 3.100 2.300 3.900 3.584 3.361 3.759 . 0 0 "[ . 1 . ]" 1
85 1 10 ALA H 1 10 ALA HA 3.000 2.200 3.800 2.844 2.833 2.851 . 0 0 "[ . 1 . ]" 1
86 1 10 ALA H 1 10 ALA MB 2.600 . 3.300 2.189 2.161 2.203 . 0 0 "[ . 1 . ]" 1
87 1 10 ALA H 1 26 VAL QG 5.400 4.000 6.800 4.179 3.977 4.361 0.023 11 0 "[ . 1 . ]" 1
88 1 10 ALA HA 1 11 ARG H 3.500 2.600 4.400 3.486 3.474 3.501 . 0 0 "[ . 1 . ]" 1
89 1 10 ALA HA 1 26 VAL QG 3.000 2.400 3.700 2.843 2.406 3.231 . 0 0 "[ . 1 . ]" 1
90 1 10 ALA HA 1 43 LEU QD 3.800 3.600 4.700 3.644 3.525 3.801 0.075 9 0 "[ . 1 . ]" 1
91 1 10 ALA HA 1 46 TYR QE 4.600 3.400 5.800 5.818 5.811 5.828 0.028 1 0 "[ . 1 . ]" 1
92 1 10 ALA MB 1 11 ARG H 3.200 2.400 4.000 2.808 2.787 2.851 . 0 0 "[ . 1 . ]" 1
93 1 10 ALA MB 1 26 VAL HA 4.500 3.400 5.600 5.613 5.493 5.650 0.050 14 0 "[ . 1 . ]" 1
94 1 10 ALA MB 1 26 VAL QG 2.400 . 3.000 2.949 2.702 3.075 0.075 19 0 "[ . 1 . ]" 1
95 1 10 ALA MB 1 43 LEU QD 3.000 2.300 3.700 2.822 2.711 2.940 . 0 0 "[ . 1 . ]" 1
96 1 10 ALA MB 1 46 TYR QD 3.300 2.500 4.100 3.460 3.359 3.562 . 0 0 "[ . 1 . ]" 1
97 1 10 ALA MB 1 46 TYR QE 3.000 2.200 3.800 3.252 3.208 3.307 . 0 0 "[ . 1 . ]" 1
98 1 10 ALA MB 1 47 ILE HA 3.900 2.900 4.900 4.606 4.504 4.663 . 0 0 "[ . 1 . ]" 1
99 1 10 ALA MB 1 47 ILE HB 4.500 3.400 5.600 5.618 5.476 5.660 0.060 14 0 "[ . 1 . ]" 1
100 1 10 ALA MB 1 47 ILE MD 3.000 2.300 3.700 3.466 3.320 3.528 . 0 0 "[ . 1 . ]" 1
101 1 10 ALA MB 1 47 ILE MG 3.800 2.900 4.700 4.362 4.188 4.497 . 0 0 "[ . 1 . ]" 1
102 1 10 ALA MB 1 50 LEU QD . 3.300 3.800 3.780 3.532 3.849 0.049 8 0 "[ . 1 . ]" 1
103 1 11 ARG H 1 11 ARG HA 3.400 2.600 4.200 2.889 2.877 2.899 . 0 0 "[ . 1 . ]" 1
104 1 11 ARG H 1 11 ARG QB 2.000 . 2.500 2.162 2.146 2.177 . 0 0 "[ . 1 . ]" 1
105 1 11 ARG H 1 11 ARG QD 4.900 3.700 6.100 3.763 3.649 3.863 0.051 7 0 "[ . 1 . ]" 1
106 1 11 ARG H 1 11 ARG QG 3.200 2.400 4.000 4.054 4.048 4.058 0.058 12 0 "[ . 1 . ]" 1
107 1 11 ARG H 1 12 ALA H 3.000 2.200 3.800 2.670 2.647 2.688 . 0 0 "[ . 1 . ]" 1
108 1 11 ARG H 1 13 ALA H 4.200 3.100 5.300 3.718 3.681 3.777 . 0 0 "[ . 1 . ]" 1
109 1 11 ARG H 1 14 LEU QD 5.100 3.800 6.400 5.743 5.677 5.984 . 0 0 "[ . 1 . ]" 1
110 1 11 ARG HA 1 12 ALA H 5.000 3.800 6.200 3.625 3.622 3.628 0.178 13 0 "[ . 1 . ]" 1
111 1 11 ARG HA 1 13 ALA H 4.900 3.700 6.100 3.628 3.612 3.668 0.088 4 0 "[ . 1 . ]" 1
112 1 11 ARG HA 1 14 LEU H 3.100 2.300 3.900 3.068 3.054 3.090 . 0 0 "[ . 1 . ]" 1
113 1 11 ARG HA 1 14 LEU HA 4.100 3.100 5.100 5.353 5.334 5.374 0.274 3 0 "[ . 1 . ]" 1
114 1 11 ARG HA 1 14 LEU QB 3.300 3.100 4.100 2.866 2.841 2.890 0.259 15 0 "[ . 1 . ]" 1
115 1 11 ARG HA 1 14 LEU QD 4.000 3.500 5.000 3.508 3.443 3.819 0.057 8 0 "[ . 1 . ]" 1
116 1 11 ARG HA 1 15 HIS H 5.300 4.000 6.600 4.835 4.683 4.872 . 0 0 "[ . 1 . ]" 1
117 1 11 ARG HA 1 47 ILE MD 2.800 2.100 3.500 3.591 3.563 3.617 0.117 12 0 "[ . 1 . ]" 1
118 1 11 ARG QB 1 12 ALA H 3.000 2.200 3.800 2.353 2.319 2.388 . 0 0 "[ . 1 . ]" 1
119 1 11 ARG QB 1 12 ALA MB 4.200 3.100 5.300 3.779 3.756 3.795 . 0 0 "[ . 1 . ]" 1
120 1 11 ARG QB 1 14 LEU QD 4.500 3.400 5.600 4.926 4.861 5.135 . 0 0 "[ . 1 . ]" 1
121 1 11 ARG QB 1 47 ILE MD 4.100 3.100 5.100 4.727 4.694 4.769 . 0 0 "[ . 1 . ]" 1
122 1 11 ARG QB 1 47 ILE MG 4.200 3.100 5.300 4.797 4.682 4.915 . 0 0 "[ . 1 . ]" 1
123 1 11 ARG QD 1 14 LEU QD 4.200 3.100 4.200 3.759 3.424 4.214 0.014 5 0 "[ . 1 . ]" 1
124 1 11 ARG QD 1 43 LEU HG 5.000 3.800 6.200 6.336 6.305 6.354 0.154 12 0 "[ . 1 . ]" 1
125 1 11 ARG QD 1 47 ILE MD 4.600 3.500 5.700 3.328 3.288 3.369 0.212 12 0 "[ . 1 . ]" 1
126 1 11 ARG QD 1 47 ILE MG 4.300 3.200 5.400 3.188 3.173 3.208 0.027 2 0 "[ . 1 . ]" 1
127 1 11 ARG QG 1 14 LEU QD 4.000 3.000 5.000 3.796 3.653 4.023 . 0 0 "[ . 1 . ]" 1
128 1 11 ARG QG 1 15 HIS H 4.500 3.400 5.600 4.788 4.577 4.931 . 0 0 "[ . 1 . ]" 1
129 1 11 ARG QG 1 47 ILE MD 3.800 3.400 4.800 4.534 4.391 4.671 . 0 0 "[ . 1 . ]" 1
130 1 11 ARG QG 1 47 ILE MG 4.000 3.500 5.000 4.970 4.832 5.031 0.031 12 0 "[ . 1 . ]" 1
131 1 12 ALA H 1 12 ALA HA 3.000 2.200 3.800 2.812 2.806 2.816 . 0 0 "[ . 1 . ]" 1
132 1 12 ALA H 1 12 ALA MB 2.500 . 3.100 2.264 2.262 2.266 . 0 0 "[ . 1 . ]" 1
133 1 12 ALA HA 1 13 ALA H 2.500 . 3.100 3.362 3.357 3.372 0.272 14 0 "[ . 1 . ]" 1
134 1 12 ALA HA 1 15 HIS QB 3.200 2.500 4.000 3.098 2.994 3.222 . 0 0 "[ . 1 . ]" 1
135 1 13 ALA H 1 13 ALA HA 2.500 . 3.100 2.911 2.904 2.926 . 0 0 "[ . 1 . ]" 1
136 1 13 ALA H 1 13 ALA MB 2.200 . 2.800 2.255 2.234 2.288 . 0 0 "[ . 1 . ]" 1
137 1 13 ALA HA 1 16 ASP QB 3.200 2.600 4.000 2.590 2.571 2.651 0.029 11 0 "[ . 1 . ]" 1
138 1 13 ALA HA 1 24 ALA MB 3.100 2.300 3.900 3.735 3.569 3.906 0.006 12 0 "[ . 1 . ]" 1
139 1 13 ALA MB 1 16 ASP QB 4.200 3.200 5.200 3.736 3.657 3.852 . 0 0 "[ . 1 . ]" 1
140 1 13 ALA MB 1 17 LEU QD 3.800 2.800 4.800 2.802 2.746 2.987 0.054 9 0 "[ . 1 . ]" 1
141 1 13 ALA MB 1 24 ALA HA 4.300 3.200 5.400 5.342 5.104 5.419 0.019 15 0 "[ . 1 . ]" 1
142 1 13 ALA MB 1 24 ALA MB 2.300 . 2.900 2.900 2.706 2.962 0.062 14 0 "[ . 1 . ]" 1
143 1 13 ALA MB 1 26 VAL QG 4.100 3.100 4.400 3.213 2.443 3.850 0.657 7 4 "[ . +* 1 .-* ]" 1
144 1 13 ALA MB 1 43 LEU QD 3.300 2.500 4.100 2.462 2.345 2.624 0.155 9 0 "[ . 1 . ]" 1
145 1 14 LEU H 1 14 LEU QB 2.800 2.200 3.500 2.161 2.149 2.176 0.051 17 0 "[ . 1 . ]" 1
146 1 14 LEU H 1 14 LEU QD 4.400 3.300 5.500 3.645 3.606 3.770 . 0 0 "[ . 1 . ]" 1
147 1 14 LEU HA 1 15 HIS H 2.900 2.200 3.600 3.500 3.475 3.518 . 0 0 "[ . 1 . ]" 1
148 1 14 LEU HA 1 17 LEU H 4.100 3.100 5.100 3.432 3.322 3.520 . 0 0 "[ . 1 . ]" 1
149 1 14 LEU HA 1 17 LEU QB 3.500 2.900 4.400 2.840 2.814 2.867 0.086 8 0 "[ . 1 . ]" 1
150 1 14 LEU HA 1 17 LEU QD 3.300 2.500 4.100 2.477 2.426 2.570 0.074 11 0 "[ . 1 . ]" 1
151 1 14 LEU HA 1 40 VAL QG 4.700 3.500 5.900 4.311 4.197 4.468 . 0 0 "[ . 1 . ]" 1
152 1 14 LEU HA 1 43 LEU QD . 3.600 3.800 3.452 3.432 3.480 0.168 10 0 "[ . 1 . ]" 1
153 1 14 LEU HA 1 47 ILE MD 4.300 3.200 5.400 5.340 5.240 5.434 0.034 10 0 "[ . 1 . ]" 1
154 1 14 LEU QB 1 15 HIS H 3.100 3.100 3.900 2.984 2.953 3.027 0.147 15 0 "[ . 1 . ]" 1
155 1 14 LEU QB 1 43 LEU QD 4.200 3.500 4.900 3.825 3.473 4.007 0.027 14 0 "[ . 1 . ]" 1
156 1 14 LEU QB 1 43 LEU HG 4.300 3.200 5.300 5.220 4.625 5.313 0.013 8 0 "[ . 1 . ]" 1
157 1 14 LEU QB 1 47 ILE MD 3.400 2.600 4.000 3.738 3.337 3.884 . 0 0 "[ . 1 . ]" 1
158 1 14 LEU QD 1 17 LEU QB 4.000 3.000 5.000 3.223 2.994 3.306 0.006 14 0 "[ . 1 . ]" 1
159 1 14 LEU QD 1 17 LEU QD 4.300 3.200 5.400 3.378 3.263 3.472 . 0 0 "[ . 1 . ]" 1
160 1 14 LEU QD 1 18 MET QB 3.400 2.600 4.200 3.676 3.149 3.990 . 0 0 "[ . 1 . ]" 1
161 1 14 LEU QD 1 18 MET ME 3.100 2.900 3.900 2.842 2.820 2.863 0.080 2 0 "[ . 1 . ]" 1
162 1 14 LEU QD 1 18 MET QG 3.600 3.400 4.500 3.515 3.359 3.795 0.041 7 0 "[ . 1 . ]" 1
163 1 14 LEU QD 1 40 VAL HA 4.000 3.000 5.000 5.086 5.069 5.137 0.137 14 0 "[ . 1 . ]" 1
164 1 14 LEU QD 1 40 VAL HB 3.900 2.900 4.900 4.799 4.711 4.907 0.007 11 0 "[ . 1 . ]" 1
165 1 14 LEU QD 1 40 VAL QG 2.500 . 3.100 2.633 2.523 2.833 . 0 0 "[ . 1 . ]" 1
166 1 14 LEU QD 1 43 LEU QB 4.200 3.200 5.200 3.811 3.723 3.884 . 0 0 "[ . 1 . ]" 1
167 1 14 LEU QD 1 43 LEU QD . 3.200 3.900 3.206 3.183 3.333 0.017 9 0 "[ . 1 . ]" 1
168 1 14 LEU QD 1 43 LEU HG 3.100 3.000 3.900 3.935 3.920 3.951 0.051 5 0 "[ . 1 . ]" 1
169 1 14 LEU QD 1 44 LYS H 4.300 3.200 5.400 4.686 4.595 4.746 . 0 0 "[ . 1 . ]" 1
170 1 14 LEU QD 1 44 LYS HA 4.300 3.200 4.800 3.717 3.664 3.792 . 0 0 "[ . 1 . ]" 1
171 1 14 LEU QD 1 44 LYS QD 3.500 3.200 4.400 4.090 4.032 4.231 . 0 0 "[ . 1 . ]" 1
172 1 14 LEU QD 1 44 LYS QE 3.400 3.100 4.200 2.943 2.914 2.994 0.186 8 0 "[ . 1 . ]" 1
173 1 14 LEU QD 1 44 LYS QG 3.500 2.800 4.400 2.793 2.743 2.861 0.057 14 0 "[ . 1 . ]" 1
174 1 14 LEU QD 1 47 ILE MD 3.100 2.300 3.200 2.318 2.264 2.416 0.036 17 0 "[ . 1 . ]" 1
175 1 14 LEU QD 1 47 ILE MG 3.500 2.600 4.400 4.072 3.968 4.221 . 0 0 "[ . 1 . ]" 1
176 1 14 LEU HG 1 40 VAL QG 4.400 3.300 5.500 3.617 3.289 3.885 0.011 14 0 "[ . 1 . ]" 1
177 1 14 LEU HG 1 43 LEU QB 3.900 2.900 4.900 4.035 3.938 4.141 . 0 0 "[ . 1 . ]" 1
178 1 14 LEU HG 1 44 LYS QE 3.900 2.900 4.900 5.034 5.001 5.063 0.163 9 0 "[ . 1 . ]" 1
179 1 14 LEU HG 1 47 ILE MD 3.800 2.800 4.800 3.671 3.516 3.863 . 0 0 "[ . 1 . ]" 1
180 1 15 HIS H 1 15 HIS QB 2.900 2.200 3.600 2.299 2.294 2.303 . 0 0 "[ . 1 . ]" 1
181 1 15 HIS H 1 16 ASP H 3.000 2.200 3.800 2.433 2.389 2.459 . 0 0 "[ . 1 . ]" 1
182 1 15 HIS HA 1 18 MET H 3.200 2.400 4.000 3.528 3.410 3.611 . 0 0 "[ . 1 . ]" 1
183 1 15 HIS HA 1 18 MET QB 3.700 3.000 4.600 3.105 3.001 3.256 . 0 0 "[ . 1 . ]" 1
184 1 15 HIS HA 1 18 MET QG 4.300 3.200 5.400 4.973 4.795 5.143 . 0 0 "[ . 1 . ]" 1
185 1 15 HIS HA 1 19 THR MG 4.400 3.300 5.500 3.855 3.670 4.107 . 0 0 "[ . 1 . ]" 1
186 1 15 HIS QB 1 16 ASP H 2.700 . 3.400 2.706 2.662 2.750 . 0 0 "[ . 1 . ]" 1
187 1 15 HIS HE1 1 19 THR MG 3.400 2.600 4.200 3.136 2.596 3.862 0.004 17 0 "[ . 1 . ]" 1
188 1 16 ASP H 1 16 ASP QB 2.900 2.200 3.600 2.480 2.262 2.615 . 0 0 "[ . 1 . ]" 1
189 1 16 ASP H 1 17 LEU H 3.000 2.200 3.800 2.537 2.509 2.605 . 0 0 "[ . 1 . ]" 1
190 1 16 ASP HA 1 17 LEU H 3.700 2.800 4.600 3.477 3.413 3.541 . 0 0 "[ . 1 . ]" 1
191 1 16 ASP HA 1 19 THR H 3.900 2.900 4.900 3.649 3.430 3.798 . 0 0 "[ . 1 . ]" 1
192 1 16 ASP HA 1 19 THR MG 4.800 3.600 6.000 3.558 3.513 3.573 0.087 11 0 "[ . 1 . ]" 1
193 1 16 ASP HA 1 21 LYS QB 4.400 3.700 5.500 3.879 3.634 4.121 0.066 3 0 "[ . 1 . ]" 1
194 1 16 ASP HA 1 21 LYS QD 4.400 3.300 5.500 4.662 4.187 5.544 0.044 10 0 "[ . 1 . ]" 1
195 1 16 ASP HA 1 21 LYS QG 3.700 2.800 4.600 4.354 3.407 4.685 0.085 8 0 "[ . 1 . ]" 1
196 1 16 ASP HA 1 24 ALA MB 4.600 3.500 5.700 5.644 5.522 5.752 0.052 14 0 "[ . 1 . ]" 1
197 1 16 ASP QB 1 17 LEU H 3.500 2.600 4.400 2.976 2.675 3.254 . 0 0 "[ . 1 . ]" 1
198 1 16 ASP QB 1 21 LYS H 4.800 3.600 6.000 5.393 5.168 5.649 . 0 0 "[ . 1 . ]" 1
199 1 16 ASP QB 1 21 LYS QB 4.200 3.300 4.600 3.374 3.210 3.663 0.090 10 0 "[ . 1 . ]" 1
200 1 16 ASP QB 1 21 LYS QD 4.800 3.600 5.300 4.239 3.553 5.297 0.047 1 0 "[ . 1 . ]" 1
201 1 16 ASP QB 1 21 LYS QG 4.200 3.200 4.500 4.245 3.227 4.540 0.040 16 0 "[ . 1 . ]" 1
202 1 16 ASP QB 1 24 ALA MB 3.800 3.200 4.700 3.210 3.124 3.347 0.076 11 0 "[ . 1 . ]" 1
203 1 17 LEU H 1 17 LEU HA 3.600 2.700 4.500 2.948 2.900 2.987 . 0 0 "[ . 1 . ]" 1
204 1 17 LEU H 1 17 LEU QB 3.000 2.200 3.800 2.431 2.386 2.505 . 0 0 "[ . 1 . ]" 1
205 1 17 LEU H 1 17 LEU QD 3.900 2.900 4.900 3.207 3.087 3.344 . 0 0 "[ . 1 . ]" 1
206 1 17 LEU H 1 17 LEU HG 2.900 2.200 3.600 2.482 2.186 2.799 0.014 16 0 "[ . 1 . ]" 1
207 1 17 LEU H 1 18 MET H 2.500 . 3.100 2.382 2.220 2.585 . 0 0 "[ . 1 . ]" 1
208 1 17 LEU H 1 19 THR H 3.300 2.500 4.100 3.824 3.663 4.015 . 0 0 "[ . 1 . ]" 1
209 1 17 LEU HA 1 21 LYS QB 4.500 3.700 5.600 3.770 3.538 4.317 0.162 3 0 "[ . 1 . ]" 1
210 1 17 LEU HA 1 21 LYS QG 4.300 3.200 5.400 5.291 4.014 5.589 0.189 8 0 "[ . 1 . ]" 1
211 1 17 LEU HA 1 24 ALA MB 4.800 3.600 6.000 4.359 4.195 4.493 . 0 0 "[ . 1 . ]" 1
212 1 17 LEU QB 1 18 MET H . 3.100 3.600 2.948 2.907 2.964 0.193 12 0 "[ . 1 . ]" 1
213 1 17 LEU QB 1 37 ALA HA 4.800 3.600 6.000 3.818 3.675 3.989 . 0 0 "[ . 1 . ]" 1
214 1 17 LEU QB 1 37 ALA MB 4.600 3.400 5.800 3.344 3.304 3.394 0.096 14 0 "[ . 1 . ]" 1
215 1 17 LEU QB 1 40 VAL QG . 3.500 4.400 3.520 3.477 3.592 0.023 10 0 "[ . 1 . ]" 1
216 1 17 LEU QB 1 43 LEU QD 4.500 3.400 5.600 4.246 4.042 4.326 . 0 0 "[ . 1 . ]" 1
217 1 17 LEU QD 1 18 MET H 5.300 4.000 6.600 4.268 4.232 4.300 . 0 0 "[ . 1 . ]" 1
218 1 17 LEU QD 1 18 MET ME 4.800 3.600 6.000 5.188 4.909 5.496 . 0 0 "[ . 1 . ]" 1
219 1 17 LEU QD 1 21 LYS H 5.200 3.900 6.500 5.455 5.141 5.802 . 0 0 "[ . 1 . ]" 1
220 1 17 LEU QD 1 21 LYS QB 4.300 3.400 5.400 3.874 3.517 4.850 . 0 0 "[ . 1 . ]" 1
221 1 17 LEU QD 1 22 ARG HA 3.800 2.900 4.700 2.885 2.818 3.042 0.082 16 0 "[ . 1 . ]" 1
222 1 17 LEU QD 1 23 VAL H 5.400 4.000 6.800 4.372 4.262 4.468 . 0 0 "[ . 1 . ]" 1
223 1 17 LEU QD 1 23 VAL HA 3.400 3.200 4.200 3.888 3.696 4.049 . 0 0 "[ . 1 . ]" 1
224 1 17 LEU QD 1 23 VAL QG 3.700 2.800 4.600 4.282 4.217 4.383 . 0 0 "[ . 1 . ]" 1
225 1 17 LEU QD 1 24 ALA H 3.100 2.300 3.900 3.597 3.387 3.802 . 0 0 "[ . 1 . ]" 1
226 1 17 LEU QD 1 24 ALA HA 4.600 3.400 5.800 4.224 4.065 4.349 . 0 0 "[ . 1 . ]" 1
227 1 17 LEU QD 1 24 ALA MB 2.900 2.300 3.600 2.191 2.169 2.204 0.131 13 0 "[ . 1 . ]" 1
228 1 17 LEU QD 1 35 PHE QB 4.600 3.500 5.700 3.702 3.489 4.572 0.011 11 0 "[ . 1 . ]" 1
229 1 17 LEU QD 1 35 PHE QD 5.000 3.800 6.200 4.965 3.675 5.169 0.125 12 0 "[ . 1 . ]" 1
230 1 17 LEU QD 1 36 THR H 4.500 3.400 5.600 4.999 4.843 5.320 . 0 0 "[ . 1 . ]" 1
231 1 17 LEU QD 1 36 THR HA 4.600 3.500 5.700 3.465 3.416 3.648 0.084 5 0 "[ . 1 . ]" 1
232 1 17 LEU QD 1 36 THR HB 4.700 3.500 5.900 4.977 4.925 5.054 . 0 0 "[ . 1 . ]" 1
233 1 17 LEU QD 1 36 THR MG 4.400 3.300 5.500 4.702 4.645 4.820 . 0 0 "[ . 1 . ]" 1
234 1 17 LEU QD 1 37 ALA H 4.400 3.300 5.500 3.323 3.253 3.536 0.047 7 0 "[ . 1 . ]" 1
235 1 17 LEU QD 1 37 ALA HA 3.900 3.100 4.900 3.093 3.042 3.168 0.058 12 0 "[ . 1 . ]" 1
236 1 17 LEU QD 1 37 ALA MB 3.700 2.800 4.600 3.087 2.877 3.288 . 0 0 "[ . 1 . ]" 1
237 1 17 LEU QD 1 40 VAL HB 4.700 3.500 5.900 3.450 3.433 3.471 0.067 12 0 "[ . 1 . ]" 1
238 1 17 LEU QD 1 40 VAL QG . 2.700 3.300 3.024 2.927 3.176 . 0 0 "[ . 1 . ]" 1
239 1 17 LEU HG 1 24 ALA H 5.000 3.800 6.200 6.000 5.594 6.233 0.033 12 0 "[ . 1 . ]" 1
240 1 17 LEU HG 1 24 ALA MB 3.200 2.400 4.000 3.054 2.747 3.287 . 0 0 "[ . 1 . ]" 1
241 1 17 LEU HG 1 40 VAL QG 4.400 3.300 5.500 5.411 5.347 5.502 0.002 15 0 "[ . 1 . ]" 1
242 1 18 MET H 1 18 MET HA 2.700 . 3.400 2.964 2.953 2.972 . 0 0 "[ . 1 . ]" 1
243 1 18 MET H 1 18 MET ME 5.000 3.800 5.400 5.081 4.959 5.196 . 0 0 "[ . 1 . ]" 1
244 1 18 MET H 1 19 THR H 2.300 . 2.900 2.361 2.318 2.393 . 0 0 "[ . 1 . ]" 1
245 1 18 MET H 1 19 THR MG 4.900 3.700 6.100 4.030 3.912 4.163 . 0 0 "[ . 1 . ]" 1
246 1 18 MET H 1 37 ALA MB 4.900 3.700 6.100 6.211 6.156 6.256 0.156 14 0 "[ . 1 . ]" 1
247 1 18 MET QB 1 19 THR MG 4.100 3.100 5.100 3.599 3.501 3.703 . 0 0 "[ . 1 . ]" 1
248 1 18 MET QB 1 40 VAL QG 4.800 3.600 6.000 5.515 5.345 5.719 . 0 0 "[ . 1 . ]" 1
249 1 18 MET ME 1 40 VAL QG 3.800 2.900 4.700 3.209 2.890 3.643 0.010 18 0 "[ . 1 . ]" 1
250 1 18 MET ME 1 44 LYS QE 4.000 3.000 5.000 3.771 3.656 3.912 . 0 0 "[ . 1 . ]" 1
251 1 18 MET ME 1 44 LYS QG 4.200 3.100 5.300 5.358 5.339 5.380 0.080 2 0 "[ . 1 . ]" 1
252 1 18 MET QG 1 19 THR MG 4.500 3.400 5.600 5.313 5.160 5.480 . 0 0 "[ . 1 . ]" 1
253 1 18 MET QG 1 40 VAL QG 4.200 3.300 5.300 4.529 4.018 4.995 . 0 0 "[ . 1 . ]" 1
254 1 19 THR H 1 19 THR HA 2.500 . 3.100 2.964 2.958 2.976 . 0 0 "[ . 1 . ]" 1
255 1 19 THR H 1 19 THR MG 3.000 2.200 3.800 2.828 2.754 2.900 . 0 0 "[ . 1 . ]" 1
256 1 19 THR H 1 21 LYS H 3.400 2.600 4.200 4.139 3.678 4.225 0.025 2 0 "[ . 1 . ]" 1
257 1 19 THR MG 1 21 LYS QG 4.900 3.700 6.100 5.197 4.462 6.166 0.066 11 0 "[ . 1 . ]" 1
258 1 20 GLY H 1 20 GLY QA 2.200 . 2.800 2.413 2.285 2.436 . 0 0 "[ . 1 . ]" 1
259 1 20 GLY H 1 21 LYS H 2.400 . 3.000 2.955 2.828 3.054 0.054 11 0 "[ . 1 . ]" 1
260 1 20 GLY QA 1 21 LYS H 3.600 2.700 4.500 2.691 2.667 2.780 0.033 4 0 "[ . 1 . ]" 1
261 1 21 LYS H 1 21 LYS QB 2.800 2.100 3.500 2.565 2.210 2.901 . 0 0 "[ . 1 . ]" 1
262 1 21 LYS H 1 22 ARG H 4.000 3.000 5.000 4.400 4.180 4.515 . 0 0 "[ . 1 . ]" 1
263 1 21 LYS H 1 22 ARG HA 4.300 3.200 5.400 5.417 5.232 5.461 0.061 12 0 "[ . 1 . ]" 1
264 1 21 LYS H 1 22 ARG QB 4.600 3.500 5.700 5.751 5.711 5.911 0.211 4 0 "[ . 1 . ]" 1
265 1 21 LYS HA 1 22 ARG QB 4.000 3.000 5.000 4.217 4.048 4.604 . 0 0 "[ . 1 . ]" 1
266 1 21 LYS HA 1 23 VAL H 5.400 4.000 6.800 3.958 3.914 3.989 0.086 11 0 "[ . 1 . ]" 1
267 1 21 LYS QB 1 23 VAL H . 3.800 4.900 4.025 3.775 4.807 0.025 12 0 "[ . 1 . ]" 1
268 1 22 ARG H 1 22 ARG HA 2.500 . 3.100 2.901 2.860 2.943 . 0 0 "[ . 1 . ]" 1
269 1 22 ARG H 1 22 ARG QB 2.200 . 2.800 2.330 2.109 2.779 . 0 0 "[ . 1 . ]" 1
270 1 22 ARG H 1 22 ARG QD 5.400 4.000 6.800 4.512 3.884 4.916 0.116 19 0 "[ . 1 . ]" 1
271 1 22 ARG H 1 23 VAL H 2.500 . 3.100 2.540 2.385 2.751 . 0 0 "[ . 1 . ]" 1
272 1 22 ARG H 1 37 ALA H 4.400 3.300 5.500 5.642 5.538 5.718 0.218 7 0 "[ . 1 . ]" 1
273 1 22 ARG HA 1 23 VAL H 4.200 3.100 5.300 3.572 3.553 3.592 . 0 0 "[ . 1 . ]" 1
274 1 22 ARG HA 1 23 VAL QG 4.500 3.400 5.600 4.707 4.346 4.878 . 0 0 "[ . 1 . ]" 1
275 1 22 ARG HA 1 37 ALA MB 4.200 3.200 5.200 3.103 3.075 3.130 0.125 5 0 "[ . 1 . ]" 1
276 1 22 ARG QB 1 23 VAL QG 3.700 2.800 4.600 3.652 2.776 4.563 0.024 1 0 "[ . 1 . ]" 1
277 1 22 ARG QG 1 23 VAL QG 4.000 3.000 5.000 3.923 2.956 4.796 0.044 5 0 "[ . 1 . ]" 1
278 1 23 VAL H 1 23 VAL HB 3.100 2.300 3.900 2.781 2.526 3.603 . 0 0 "[ . 1 . ]" 1
279 1 23 VAL HA 1 24 ALA MB 4.600 3.400 5.800 4.000 3.971 4.023 . 0 0 "[ . 1 . ]" 1
280 1 23 VAL HA 1 36 THR HB 4.600 3.400 5.800 4.306 4.199 4.454 . 0 0 "[ . 1 . ]" 1
281 1 23 VAL HA 1 36 THR MG 3.600 2.700 4.500 2.736 2.661 3.032 0.039 1 0 "[ . 1 . ]" 1
282 1 23 VAL HB 1 24 ALA H 3.500 2.600 4.400 4.056 3.243 4.303 . 0 0 "[ . 1 . ]" 1
283 1 23 VAL HB 1 34 GLU QG 4.400 3.300 5.500 5.109 3.755 5.518 0.018 16 0 "[ . 1 . ]" 1
284 1 23 VAL HB 1 36 THR MG 3.700 2.800 4.600 3.719 3.210 4.645 0.045 1 0 "[ . 1 . ]" 1
285 1 23 VAL QG 1 24 ALA H 2.800 2.100 3.500 2.659 2.430 3.476 . 0 0 "[ . 1 . ]" 1
286 1 23 VAL QG 1 24 ALA HA 3.900 2.900 4.900 3.405 3.167 4.111 . 0 0 "[ . 1 . ]" 1
287 1 23 VAL QG 1 24 ALA MB 4.100 3.100 5.100 3.905 3.744 4.394 . 0 0 "[ . 1 . ]" 1
288 1 23 VAL QG 1 34 GLU HA 3.900 2.900 4.900 4.238 3.756 4.940 0.040 17 0 "[ . 1 . ]" 1
289 1 23 VAL QG 1 34 GLU QB 3.200 2.500 4.000 2.857 2.457 3.897 0.043 7 0 "[ . 1 . ]" 1
290 1 23 VAL QG 1 34 GLU QG 3.300 2.500 4.100 2.890 2.422 4.101 0.078 14 0 "[ . 1 . ]" 1
291 1 23 VAL QG 1 36 THR HA 4.300 3.200 5.400 3.953 3.402 4.310 . 0 0 "[ . 1 . ]" 1
292 1 23 VAL QG 1 36 THR MG 2.400 . 3.000 2.714 1.984 3.032 0.032 13 0 "[ . 1 . ]" 1
293 1 24 ALA H 1 24 ALA HA 2.400 . 3.000 2.980 2.957 3.004 0.004 2 0 "[ . 1 . ]" 1
294 1 24 ALA H 1 24 ALA MB 2.700 . 3.400 2.633 2.528 2.712 . 0 0 "[ . 1 . ]" 1
295 1 24 ALA H 1 35 PHE H 3.200 2.400 4.000 3.698 3.467 3.979 . 0 0 "[ . 1 . ]" 1
296 1 24 ALA H 1 35 PHE QB 5.400 4.000 6.800 4.785 4.473 5.581 . 0 0 "[ . 1 . ]" 1
297 1 24 ALA H 1 36 THR HA 3.000 2.200 3.800 3.880 3.818 3.936 0.136 17 0 "[ . 1 . ]" 1
298 1 24 ALA HA 1 25 THR H 2.100 . 2.600 2.321 2.275 2.347 . 0 0 "[ . 1 . ]" 1
299 1 24 ALA HA 1 25 THR MG 4.700 3.500 5.900 5.454 5.380 5.500 . 0 0 "[ . 1 . ]" 1
300 1 24 ALA MB 1 25 THR H 3.200 2.400 4.000 2.697 2.654 2.872 . 0 0 "[ . 1 . ]" 1
301 1 24 ALA MB 1 35 PHE QB 4.100 3.500 5.100 4.223 3.870 5.154 0.054 12 0 "[ . 1 . ]" 1
302 1 25 THR H 1 25 THR HB 3.300 2.500 4.100 2.613 2.478 2.751 0.022 6 0 "[ . 1 . ]" 1
303 1 25 THR H 1 25 THR MG 4.800 3.600 6.000 3.842 3.798 3.876 . 0 0 "[ . 1 . ]" 1
304 1 25 THR HA 1 26 VAL H 3.000 2.200 3.800 2.304 2.243 2.347 . 0 0 "[ . 1 . ]" 1
305 1 25 THR HA 1 34 GLU HA 3.300 2.500 4.100 2.749 2.444 3.031 0.056 14 0 "[ . 1 . ]" 1
306 1 25 THR HB 1 26 VAL H 5.000 3.800 6.200 3.866 3.787 4.103 0.013 14 0 "[ . 1 . ]" 1
307 1 25 THR HB 1 32 ARG QB 4.600 3.500 5.700 5.381 5.086 5.617 . 0 0 "[ . 1 . ]" 1
308 1 25 THR HB 1 32 ARG QD 4.200 3.200 5.200 5.083 4.820 5.240 0.040 7 0 "[ . 1 . ]" 1
309 1 25 THR HB 1 32 ARG QG 4.400 3.400 5.500 5.446 5.250 5.534 0.034 12 0 "[ . 1 . ]" 1
310 1 25 THR MG 1 27 GLN QG 4.400 3.300 5.500 3.832 3.292 5.527 0.027 16 0 "[ . 1 . ]" 1
311 1 25 THR MG 1 32 ARG QB 3.600 2.700 4.500 2.719 2.683 2.774 0.017 8 0 "[ . 1 . ]" 1
312 1 25 THR MG 1 32 ARG QD 3.000 2.200 3.800 2.606 2.319 2.857 . 0 0 "[ . 1 . ]" 1
313 1 25 THR MG 1 32 ARG QG 3.500 2.700 4.400 2.755 2.633 3.031 0.067 7 0 "[ . 1 . ]" 1
314 1 25 THR MG 1 34 GLU HA 3.400 2.500 4.300 4.079 3.566 4.331 0.031 5 0 "[ . 1 . ]" 1
315 1 25 THR MG 1 34 GLU QB 4.700 3.500 5.900 4.576 3.494 5.210 0.006 12 0 "[ . 1 . ]" 1
316 1 25 THR MG 1 34 GLU QG 3.000 2.300 3.700 3.124 2.365 3.715 0.015 3 0 "[ . 1 . ]" 1
317 1 26 VAL H 1 27 GLN H 3.300 2.500 4.100 4.219 4.169 4.297 0.197 7 0 "[ . 1 . ]" 1
318 1 26 VAL HA 1 27 GLN H 1.900 . 2.400 2.166 2.149 2.197 . 0 0 "[ . 1 . ]" 1
319 1 26 VAL HA 1 27 GLN QG 4.500 3.400 5.600 3.967 3.364 5.646 0.046 10 0 "[ . 1 . ]" 1
320 1 26 VAL HA 1 32 ARG HA 4.200 3.100 5.300 5.391 5.347 5.443 0.143 14 0 "[ . 1 . ]" 1
321 1 26 VAL HB 1 33 VAL QG 4.600 3.400 5.800 5.327 4.213 5.827 0.027 8 0 "[ . 1 . ]" 1
322 1 26 VAL HB 1 35 PHE QD 4.300 3.200 5.400 4.799 4.256 5.431 0.031 12 0 "[ . 1 . ]" 1
323 1 26 VAL HB 1 35 PHE QE 4.700 3.500 5.900 5.702 3.425 5.975 0.075 19 0 "[ . 1 . ]" 1
324 1 26 VAL QG 1 27 GLN H 3.400 2.600 4.200 2.832 2.575 3.335 0.025 5 0 "[ . 1 . ]" 1
325 1 26 VAL QG 1 28 LYS QD 4.000 3.000 5.000 4.129 3.118 5.034 0.034 8 0 "[ . 1 . ]" 1
326 1 26 VAL QG 1 33 VAL HA 4.100 3.100 5.100 4.632 4.196 5.211 0.111 9 0 "[ . 1 . ]" 1
327 1 26 VAL QG 1 33 VAL HB 3.200 2.400 4.000 3.135 2.344 4.060 0.060 15 0 "[ . 1 . ]" 1
328 1 26 VAL QG 1 35 PHE QD 4.200 3.200 4.200 3.123 3.000 4.227 0.200 16 0 "[ . 1 . ]" 1
329 1 26 VAL QG 1 35 PHE QE 3.800 2.800 4.000 3.783 2.980 4.145 0.145 9 0 "[ . 1 . ]" 1
330 1 26 VAL QG 1 46 TYR QD 4.200 3.200 5.200 4.909 4.608 5.219 0.019 19 0 "[ . 1 . ]" 1
331 1 26 VAL QG 1 46 TYR QE 3.800 2.800 4.800 4.472 3.935 5.110 0.310 17 0 "[ . 1 . ]" 1
332 1 27 GLN H 1 27 GLN HA 3.400 2.600 4.200 2.941 2.924 2.951 . 0 0 "[ . 1 . ]" 1
333 1 27 GLN H 1 27 GLN QB 2.400 . 3.000 2.448 2.168 2.785 . 0 0 "[ . 1 . ]" 1
334 1 27 GLN H 1 28 LYS QB 4.800 3.600 6.000 5.157 4.810 5.438 . 0 0 "[ . 1 . ]" 1
335 1 27 GLN HA 1 28 LYS H 2.100 . 2.600 2.208 2.182 2.243 . 0 0 "[ . 1 . ]" 1
336 1 27 GLN HA 1 31 ARG H 5.200 3.900 6.500 4.910 3.882 5.467 0.018 5 0 "[ . 1 . ]" 1
337 1 27 GLN HA 1 32 ARG H 4.000 3.000 5.000 4.561 4.164 4.948 . 0 0 "[ . 1 . ]" 1
338 1 27 GLN HA 1 32 ARG HA 2.500 . 3.100 2.548 2.145 2.995 . 0 0 "[ . 1 . ]" 1
339 1 27 GLN HA 1 33 VAL H 4.900 3.700 6.100 4.156 3.793 4.469 . 0 0 "[ . 1 . ]" 1
340 1 27 GLN QB 1 28 LYS H 4.700 3.500 5.900 3.502 3.411 3.851 0.089 7 0 "[ . 1 . ]" 1
341 1 27 GLN QB 1 28 LYS HA 4.700 3.500 5.900 4.308 4.171 4.807 . 0 0 "[ . 1 . ]" 1
342 1 27 GLN QB 1 31 ARG H 5.200 3.900 6.500 5.313 4.254 6.478 . 0 0 "[ . 1 . ]" 1
343 1 27 GLN QB 1 32 ARG H 4.900 3.700 6.100 5.811 4.721 6.116 0.016 3 0 "[ . 1 . ]" 1
344 1 27 GLN QB 1 32 ARG HA 3.900 2.900 4.900 4.559 3.826 4.853 . 0 0 "[ . 1 . ]" 1
345 1 27 GLN QG 1 28 LYS H 4.900 3.700 6.100 4.295 3.682 4.745 0.018 10 0 "[ . 1 . ]" 1
346 1 27 GLN QG 1 31 ARG H 5.100 3.800 6.400 6.233 5.564 6.450 0.050 2 0 "[ . 1 . ]" 1
347 1 27 GLN QG 1 32 ARG H 5.100 3.800 6.400 5.476 4.271 6.508 0.108 16 0 "[ . 1 . ]" 1
348 1 27 GLN QG 1 32 ARG HA 4.000 3.000 5.000 4.207 3.811 5.145 0.145 16 0 "[ . 1 . ]" 1
349 1 27 GLN QG 1 32 ARG QG 4.500 3.400 5.600 4.175 3.335 5.410 0.065 9 0 "[ . 1 . ]" 1
350 1 28 LYS H 1 28 LYS HA 3.300 2.500 4.100 2.994 2.986 3.008 . 0 0 "[ . 1 . ]" 1
351 1 28 LYS H 1 28 LYS QB 3.500 2.600 4.400 2.516 2.416 2.631 0.184 17 0 "[ . 1 . ]" 1
352 1 28 LYS H 1 28 LYS QG 5.100 3.800 6.400 4.089 4.053 4.178 . 0 0 "[ . 1 . ]" 1
353 1 28 LYS H 1 29 ASP H 3.500 2.600 4.400 4.423 4.201 4.564 0.164 8 0 "[ . 1 . ]" 1
354 1 28 LYS H 1 30 GLY H 4.200 3.100 5.300 4.253 3.626 4.697 . 0 0 "[ . 1 . ]" 1
355 1 28 LYS H 1 31 ARG H 3.000 2.200 3.800 3.317 2.438 3.845 0.045 7 0 "[ . 1 . ]" 1
356 1 28 LYS H 1 33 VAL H 4.200 3.100 5.300 4.337 3.991 4.839 . 0 0 "[ . 1 . ]" 1
357 1 28 LYS HA 1 29 ASP H 3.500 2.600 4.400 2.324 2.303 2.344 0.297 18 0 "[ . 1 . ]" 1
358 1 28 LYS QB 1 32 ARG H 4.500 3.400 5.600 5.481 5.095 5.703 0.103 19 0 "[ . 1 . ]" 1
359 1 28 LYS QB 1 33 VAL QG . 3.300 3.900 3.451 3.227 3.912 0.073 5 0 "[ . 1 . ]" 1
360 1 28 LYS QD 1 33 VAL QG 4.800 3.600 5.000 3.854 3.566 4.529 0.034 17 0 "[ . 1 . ]" 1
361 1 28 LYS QE 1 46 TYR QD 4.700 3.500 5.900 4.395 3.492 5.040 0.008 8 0 "[ . 1 . ]" 1
362 1 28 LYS QE 1 46 TYR QE 4.300 3.200 5.400 3.509 3.142 3.986 0.058 5 0 "[ . 1 . ]" 1
363 1 28 LYS QG 1 46 TYR QE 4.000 3.000 5.000 4.237 3.624 5.030 0.030 5 0 "[ . 1 . ]" 1
364 1 29 ASP H 1 29 ASP HA 3.500 2.600 4.400 2.561 2.377 2.818 0.223 1 0 "[ . 1 . ]" 1
365 1 29 ASP H 1 30 GLY H 3.500 2.600 4.400 3.382 2.679 4.174 . 0 0 "[ . 1 . ]" 1
366 1 29 ASP HA 1 30 GLY H 2.700 . 3.400 2.652 2.304 3.026 . 0 0 "[ . 1 . ]" 1
367 1 29 ASP HA 1 31 ARG H 4.700 3.500 5.900 4.411 4.139 4.654 . 0 0 "[ . 1 . ]" 1
368 1 29 ASP QB 1 30 GLY H 5.100 3.800 6.400 3.893 3.778 4.051 0.022 17 0 "[ . 1 . ]" 1
369 1 30 GLY H 1 30 GLY QA 2.200 . 2.800 2.356 2.234 2.498 . 0 0 "[ . 1 . ]" 1
370 1 30 GLY H 1 31 ARG H 2.600 . 3.300 2.761 2.557 3.029 . 0 0 "[ . 1 . ]" 1
371 1 30 GLY QA 1 31 ARG H 3.400 2.700 4.200 2.767 2.640 2.929 0.060 16 0 "[ . 1 . ]" 1
372 1 31 ARG H 1 31 ARG HA 2.700 . 3.400 2.930 2.872 3.004 . 0 0 "[ . 1 . ]" 1
373 1 31 ARG HA 1 32 ARG H 1.700 . 2.100 2.194 2.148 2.249 0.149 16 0 "[ . 1 . ]" 1
374 1 31 ARG QB 1 33 VAL QG 3.500 2.600 4.400 3.431 2.813 3.807 . 0 0 "[ . 1 . ]" 1
375 1 31 ARG QD 1 32 ARG QB 2.800 2.100 3.500 3.523 3.018 3.581 0.081 4 0 "[ . 1 . ]" 1
376 1 31 ARG QD 1 33 VAL QG 4.800 3.600 5.100 4.042 3.530 4.491 0.070 6 0 "[ . 1 . ]" 1
377 1 31 ARG QG 1 33 VAL QG 3.800 2.900 4.700 3.344 2.761 4.717 0.139 3 0 "[ . 1 . ]" 1
378 1 32 ARG H 1 32 ARG HA 3.300 2.500 4.100 2.943 2.895 2.971 . 0 0 "[ . 1 . ]" 1
379 1 32 ARG H 1 32 ARG QB 1.900 . 2.400 2.265 2.164 2.335 . 0 0 "[ . 1 . ]" 1
380 1 32 ARG H 1 32 ARG QD 4.600 3.500 5.700 4.000 3.560 4.443 . 0 0 "[ . 1 . ]" 1
381 1 32 ARG H 1 33 VAL H 4.100 3.100 5.100 4.626 4.561 4.665 . 0 0 "[ . 1 . ]" 1
382 1 32 ARG HA 1 33 VAL H 2.400 . 3.000 2.270 2.218 2.319 . 0 0 "[ . 1 . ]" 1
383 1 32 ARG HA 1 33 VAL QG 4.100 3.100 5.100 3.678 3.576 3.793 . 0 0 "[ . 1 . ]" 1
384 1 33 VAL H 1 33 VAL HB 3.600 2.700 4.500 2.843 2.749 2.907 . 0 0 "[ . 1 . ]" 1
385 1 33 VAL H 1 33 VAL QG 4.300 3.200 5.400 3.040 2.998 3.071 0.202 15 0 "[ . 1 . ]" 1
386 1 33 VAL HA 1 34 GLU H 1.700 . 2.100 2.229 2.183 2.256 0.156 19 0 "[ . 1 . ]" 1
387 1 33 VAL HA 1 34 GLU QG 4.400 3.300 5.500 4.407 3.889 5.542 0.042 11 0 "[ . 1 . ]" 1
388 1 33 VAL HB 1 35 PHE QE 4.500 3.400 5.600 3.940 3.541 4.632 . 0 0 "[ . 1 . ]" 1
389 1 33 VAL QG 1 34 GLU H 3.000 2.200 3.800 2.171 2.132 2.294 0.068 8 0 "[ . 1 . ]" 1
390 1 33 VAL QG 1 35 PHE QD 4.700 3.500 5.900 3.464 3.409 3.519 0.091 6 0 "[ . 1 . ]" 1
391 1 33 VAL QG 1 35 PHE QE 4.000 3.300 5.000 3.262 3.182 3.987 0.118 9 0 "[ . 1 . ]" 1
392 1 33 VAL QG 1 35 PHE HZ 4.300 3.400 5.400 3.547 3.351 4.985 0.049 16 0 "[ . 1 . ]" 1
393 1 34 GLU H 1 34 GLU HA 3.600 2.700 4.500 2.993 2.967 3.006 . 0 0 "[ . 1 . ]" 1
394 1 34 GLU H 1 34 GLU QB 2.100 . 2.600 2.324 2.235 2.416 . 0 0 "[ . 1 . ]" 1
395 1 34 GLU H 1 34 GLU QG . 3.100 3.900 3.395 3.086 4.045 0.145 11 0 "[ . 1 . ]" 1
396 1 34 GLU HA 1 35 PHE H 2.800 2.100 3.500 2.257 2.193 2.288 . 0 0 "[ . 1 . ]" 1
397 1 34 GLU QB 1 35 PHE H 5.200 3.900 6.500 3.752 3.709 3.825 0.191 15 0 "[ . 1 . ]" 1
398 1 34 GLU QB 1 36 THR MG 4.000 3.000 5.000 4.022 3.820 4.958 . 0 0 "[ . 1 . ]" 1
399 1 34 GLU QG 1 36 THR MG 4.600 3.500 5.700 5.098 3.826 5.457 . 0 0 "[ . 1 . ]" 1
400 1 35 PHE HA 1 36 THR H 2.300 . 2.900 2.284 2.270 2.301 . 0 0 "[ . 1 . ]" 1
401 1 35 PHE HA 1 36 THR MG 3.600 2.700 4.500 3.596 3.512 3.693 . 0 0 "[ . 1 . ]" 1
402 1 35 PHE HA 1 38 THR H 5.300 4.000 6.600 6.258 6.153 6.368 . 0 0 "[ . 1 . ]" 1
403 1 35 PHE QB 1 36 THR H 4.000 3.000 4.000 2.971 2.871 2.995 0.129 12 0 "[ . 1 . ]" 1
404 1 35 PHE QB 1 43 LEU QD 4.300 3.400 5.400 3.709 3.489 4.564 . 0 0 "[ . 1 . ]" 1
405 1 35 PHE QD 1 39 SER QB 4.400 3.300 4.900 3.557 3.281 4.033 0.019 14 0 "[ . 1 . ]" 1
406 1 35 PHE QD 1 42 ASP QB 4.900 3.700 5.500 5.423 4.772 5.545 0.045 15 0 "[ . 1 . ]" 1
407 1 35 PHE QD 1 43 LEU QB 5.000 3.800 6.200 4.847 4.563 4.975 . 0 0 "[ . 1 . ]" 1
408 1 35 PHE QD 1 43 LEU QD 4.700 3.500 5.400 3.498 3.458 3.682 0.042 9 0 "[ . 1 . ]" 1
409 1 35 PHE QE 1 42 ASP QB 4.100 3.200 5.100 4.784 4.528 5.108 0.008 12 0 "[ . 1 . ]" 1
410 1 36 THR H 1 36 THR HA 3.400 2.600 4.200 2.998 2.984 3.006 . 0 0 "[ . 1 . ]" 1
411 1 36 THR H 1 36 THR MG 3.400 2.600 4.200 2.550 2.526 2.580 0.074 17 0 "[ . 1 . ]" 1
412 1 36 THR H 1 39 SER QB 4.700 3.500 5.900 4.458 4.241 4.799 . 0 0 "[ . 1 . ]" 1
413 1 36 THR HA 1 37 ALA H 3.400 2.600 4.200 2.525 2.494 2.568 0.106 7 0 "[ . 1 . ]" 1
414 1 36 THR HB 1 37 ALA H 2.700 . 3.400 2.594 2.405 2.733 . 0 0 "[ . 1 . ]" 1
415 1 36 THR HB 1 38 THR H 4.000 3.000 5.000 2.933 2.895 2.965 0.105 17 0 "[ . 1 . ]" 1
416 1 36 THR MG 1 37 ALA H 5.000 3.800 6.200 3.913 3.833 3.978 . 0 0 "[ . 1 . ]" 1
417 1 36 THR MG 1 38 THR MG 2.900 2.200 3.600 3.629 3.613 3.639 0.039 19 0 "[ . 1 . ]" 1
418 1 37 ALA H 1 37 ALA HA 3.300 2.500 4.100 2.825 2.797 2.863 . 0 0 "[ . 1 . ]" 1
419 1 37 ALA H 1 37 ALA MB 2.900 2.200 3.600 2.264 2.203 2.293 . 0 0 "[ . 1 . ]" 1
420 1 37 ALA H 1 38 THR H 3.500 2.600 4.400 2.805 2.693 2.864 . 0 0 "[ . 1 . ]" 1
421 1 37 ALA HA 1 38 THR H 3.900 2.900 4.900 3.392 3.387 3.398 . 0 0 "[ . 1 . ]" 1
422 1 37 ALA HA 1 40 VAL HA 4.900 3.700 6.100 4.189 4.073 4.326 . 0 0 "[ . 1 . ]" 1
423 1 37 ALA HA 1 40 VAL HB 3.500 2.600 4.400 2.655 2.589 2.763 0.011 8 0 "[ . 1 . ]" 1
424 1 37 ALA HA 1 40 VAL QG 2.800 2.600 3.500 3.435 3.388 3.496 . 0 0 "[ . 1 . ]" 1
425 1 37 ALA MB 1 38 THR H 3.300 2.500 4.100 3.113 3.093 3.133 . 0 0 "[ . 1 . ]" 1
426 1 37 ALA MB 1 38 THR HA 4.600 3.400 5.800 3.960 3.942 3.976 . 0 0 "[ . 1 . ]" 1
427 1 37 ALA MB 1 38 THR MG 3.500 2.600 4.400 3.775 3.704 3.867 . 0 0 "[ . 1 . ]" 1
428 1 37 ALA MB 1 40 VAL QG 3.600 3.200 4.500 3.386 3.251 3.516 . 0 0 "[ . 1 . ]" 1
429 1 38 THR H 1 38 THR HA 2.700 . 3.400 2.846 2.826 2.863 . 0 0 "[ . 1 . ]" 1
430 1 38 THR H 1 38 THR MG 3.100 2.300 3.900 2.241 2.227 2.249 0.073 13 0 "[ . 1 . ]" 1
431 1 38 THR H 1 39 SER H 2.300 . 2.900 2.680 2.619 2.744 . 0 0 "[ . 1 . ]" 1
432 1 38 THR HA 1 39 SER H 3.100 2.300 3.900 3.492 3.464 3.512 . 0 0 "[ . 1 . ]" 1
433 1 38 THR MG 1 39 SER H 4.600 3.500 5.700 4.012 3.974 4.049 . 0 0 "[ . 1 . ]" 1
434 1 39 SER H 1 39 SER HA 3.000 2.200 3.800 3.008 3.005 3.011 . 0 0 "[ . 1 . ]" 1
435 1 39 SER H 1 39 SER QB 3.900 2.900 4.700 2.885 2.728 2.990 0.172 18 0 "[ . 1 . ]" 1
436 1 39 SER HA 1 42 ASP H 3.800 2.900 4.700 3.982 3.947 4.060 . 0 0 "[ . 1 . ]" 1
437 1 39 SER HA 1 42 ASP QB 4.700 3.500 5.900 5.042 4.880 5.217 . 0 0 "[ . 1 . ]" 1
438 1 39 SER QB 1 42 ASP H 3.300 2.500 4.100 3.742 3.567 4.117 0.017 18 0 "[ . 1 . ]" 1
439 1 39 SER QB 1 42 ASP QB 4.500 3.500 5.300 3.662 3.481 3.937 0.019 15 0 "[ . 1 . ]" 1
440 1 40 VAL H 1 40 VAL HB 3.900 2.900 4.900 2.823 2.810 2.839 0.090 9 0 "[ . 1 . ]" 1
441 1 40 VAL H 1 41 SER H 3.400 2.600 4.200 2.525 2.497 2.558 0.103 17 0 "[ . 1 . ]" 1
442 1 40 VAL HA 1 43 LEU QB 3.100 2.300 3.900 2.960 2.838 3.060 . 0 0 "[ . 1 . ]" 1
443 1 40 VAL HA 1 43 LEU QD 4.800 3.600 6.000 3.699 3.574 3.830 0.026 19 0 "[ . 1 . ]" 1
444 1 40 VAL HB 1 40 VAL QG 2.800 2.200 3.500 1.926 1.925 1.927 0.275 19 0 "[ . 1 . ]" 1
445 1 40 VAL HB 1 41 SER H 3.900 2.900 4.900 4.391 4.380 4.399 . 0 0 "[ . 1 . ]" 1
446 1 40 VAL QG 1 41 SER H 3.900 2.900 4.900 2.713 2.698 2.729 0.202 19 0 "[ . 1 . ]" 1
447 1 40 VAL QG 1 41 SER HA 3.900 2.900 4.900 3.217 3.211 3.233 . 0 0 "[ . 1 . ]" 1
448 1 40 VAL QG 1 41 SER QB 3.800 2.800 4.800 3.500 3.476 3.531 . 0 0 "[ . 1 . ]" 1
449 1 40 VAL QG 1 43 LEU QD 4.200 3.100 5.300 3.109 3.069 3.175 0.031 9 0 "[ . 1 . ]" 1
450 1 40 VAL QG 1 43 LEU HG 3.900 2.900 4.900 4.838 4.793 4.881 . 0 0 "[ . 1 . ]" 1
451 1 40 VAL QG 1 44 LYS QB 4.300 3.400 5.400 4.130 4.049 4.276 . 0 0 "[ . 1 . ]" 1
452 1 40 VAL QG 1 44 LYS QD 3.800 3.000 4.700 3.165 2.987 3.762 0.013 1 0 "[ . 1 . ]" 1
453 1 40 VAL QG 1 44 LYS QE . 3.300 4.000 3.263 3.233 3.441 0.067 14 0 "[ . 1 . ]" 1
454 1 40 VAL QG 1 44 LYS QG 4.100 3.400 4.200 3.320 3.279 3.336 0.121 19 0 "[ . 1 . ]" 1
455 1 41 SER H 1 41 SER QB 2.500 . 3.100 2.572 2.161 2.662 . 0 0 "[ . 1 . ]" 1
456 1 41 SER H 1 42 ASP H 2.800 2.100 3.500 2.621 2.597 2.652 . 0 0 "[ . 1 . ]" 1
457 1 41 SER HA 1 44 LYS H 3.400 2.600 4.200 3.254 3.144 3.316 . 0 0 "[ . 1 . ]" 1
458 1 41 SER HA 1 44 LYS QB 3.200 2.400 4.000 2.661 2.561 2.828 . 0 0 "[ . 1 . ]" 1
459 1 41 SER HA 1 44 LYS QD 3.400 2.600 4.200 2.720 2.561 2.951 0.039 5 0 "[ . 1 . ]" 1
460 1 41 SER QB 1 44 LYS QB 3.400 2.500 4.300 3.928 3.750 4.304 0.004 15 0 "[ . 1 . ]" 1
461 1 41 SER QB 1 44 LYS QD 3.800 2.900 4.700 3.988 3.779 4.135 . 0 0 "[ . 1 . ]" 1
462 1 41 SER QB 1 44 LYS QE 4.400 3.300 5.500 5.537 5.512 5.579 0.079 5 0 "[ . 1 . ]" 1
463 1 42 ASP H 1 42 ASP HA 2.800 2.100 3.500 2.831 2.828 2.835 . 0 0 "[ . 1 . ]" 1
464 1 42 ASP H 1 42 ASP QB 3.200 2.400 4.000 2.543 2.394 2.702 0.006 13 0 "[ . 1 . ]" 1
465 1 42 ASP HA 1 43 LEU H 5.100 3.800 6.400 3.581 3.551 3.596 0.249 5 0 "[ . 1 . ]" 1
466 1 42 ASP HA 1 45 LYS H 3.400 2.600 4.200 3.342 3.278 3.474 . 0 0 "[ . 1 . ]" 1
467 1 42 ASP HA 1 45 LYS QB 2.700 . 3.400 2.744 2.581 2.883 . 0 0 "[ . 1 . ]" 1
468 1 42 ASP HA 1 45 LYS QD 3.600 2.700 4.500 4.319 4.076 4.519 0.019 12 0 "[ . 1 . ]" 1
469 1 42 ASP HA 1 45 LYS QE 4.600 3.400 5.800 3.442 3.375 3.974 0.025 5 0 "[ . 1 . ]" 1
470 1 42 ASP HA 1 45 LYS QG 4.400 3.300 5.500 4.781 4.544 4.891 . 0 0 "[ . 1 . ]" 1
471 1 42 ASP QB 1 43 LEU H 4.700 3.500 4.700 3.497 3.452 3.576 0.048 17 0 "[ . 1 . ]" 1
472 1 42 ASP QB 1 45 LYS QE 3.200 2.400 4.000 3.983 3.864 4.026 0.026 10 0 "[ . 1 . ]" 1
473 1 43 LEU H 1 43 LEU HA 3.000 2.200 3.800 2.870 2.855 2.895 . 0 0 "[ . 1 . ]" 1
474 1 43 LEU H 1 43 LEU QB 2.700 . 3.400 2.223 2.195 2.235 . 0 0 "[ . 1 . ]" 1
475 1 43 LEU H 1 43 LEU QD 3.000 2.200 3.800 3.560 3.508 3.583 . 0 0 "[ . 1 . ]" 1
476 1 43 LEU H 1 43 LEU HG 4.900 3.700 6.100 4.586 4.576 4.596 . 0 0 "[ . 1 . ]" 1
477 1 43 LEU H 1 44 LYS H 2.900 2.200 3.600 2.586 2.484 2.646 . 0 0 "[ . 1 . ]" 1
478 1 43 LEU H 1 45 LYS H 3.400 2.600 4.200 4.231 4.213 4.244 0.044 19 0 "[ . 1 . ]" 1
479 1 43 LEU HA 1 46 TYR QB 3.500 2.600 4.400 2.562 2.541 2.593 0.059 2 0 "[ . 1 . ]" 1
480 1 43 LEU HA 1 46 TYR QD 4.300 3.200 5.400 3.844 3.765 3.925 . 0 0 "[ . 1 . ]" 1
481 1 43 LEU QD 1 44 LYS H 3.500 2.600 4.400 4.127 4.087 4.154 . 0 0 "[ . 1 . ]" 1
482 1 43 LEU QD 1 46 TYR H 5.300 4.000 6.600 4.585 4.556 4.619 . 0 0 "[ . 1 . ]" 1
483 1 43 LEU QD 1 46 TYR QB 4.000 3.000 5.000 2.939 2.920 2.965 0.080 14 0 "[ . 1 . ]" 1
484 1 43 LEU QD 1 46 TYR QD 3.100 2.300 3.900 2.622 2.501 2.732 . 0 0 "[ . 1 . ]" 1
485 1 43 LEU QD 1 46 TYR QE 4.600 3.500 5.700 4.131 4.034 4.218 . 0 0 "[ . 1 . ]" 1
486 1 43 LEU QD 1 47 ILE MD 3.300 3.200 4.100 3.122 3.104 3.137 0.096 5 0 "[ . 1 . ]" 1
487 1 43 LEU HG 1 46 TYR QD 4.400 3.300 5.500 4.299 4.196 4.384 . 0 0 "[ . 1 . ]" 1
488 1 43 LEU HG 1 47 ILE HB 4.500 3.400 5.600 5.099 4.938 5.240 . 0 0 "[ . 1 . ]" 1
489 1 43 LEU HG 1 47 ILE MD 3.400 2.600 4.200 2.557 2.530 2.577 0.070 14 0 "[ . 1 . ]" 1
490 1 44 LYS H 1 44 LYS HA 2.700 . 3.400 2.880 2.867 2.887 . 0 0 "[ . 1 . ]" 1
491 1 44 LYS H 1 44 LYS QB 1.900 . 2.400 2.190 2.160 2.232 . 0 0 "[ . 1 . ]" 1
492 1 44 LYS H 1 44 LYS QG 3.200 2.400 4.000 2.866 2.715 2.963 . 0 0 "[ . 1 . ]" 1
493 1 44 LYS HA 1 45 LYS H 3.500 2.600 4.400 3.576 3.569 3.585 . 0 0 "[ . 1 . ]" 1
494 1 44 LYS HA 1 46 TYR H 3.600 2.700 4.500 4.530 4.523 4.542 0.042 2 0 "[ . 1 . ]" 1
495 1 44 LYS HA 1 47 ILE H 3.800 2.900 4.700 3.733 3.682 3.803 . 0 0 "[ . 1 . ]" 1
496 1 44 LYS HA 1 47 ILE HB 2.900 2.200 3.600 3.072 2.940 3.265 . 0 0 "[ . 1 . ]" 1
497 1 44 LYS HA 1 47 ILE MD 2.800 2.100 3.500 2.279 2.270 2.293 . 0 0 "[ . 1 . ]" 1
498 1 44 LYS HA 1 47 ILE MG 3.700 2.800 4.600 4.354 4.204 4.535 . 0 0 "[ . 1 . ]" 1
499 1 44 LYS HA 1 48 ALA H 4.200 3.100 5.300 4.178 4.016 4.310 . 0 0 "[ . 1 . ]" 1
500 1 44 LYS QG 1 47 ILE MD 4.200 3.100 5.300 3.307 3.264 3.360 . 0 0 "[ . 1 . ]" 1
501 1 45 LYS H 1 45 LYS QB 1.700 . 2.100 2.223 2.205 2.240 0.140 1 0 "[ . 1 . ]" 1
502 1 45 LYS HA 1 46 TYR H 4.000 3.000 5.000 3.554 3.544 3.558 . 0 0 "[ . 1 . ]" 1
503 1 45 LYS HA 1 48 ALA MB 2.400 . 3.000 2.616 2.443 2.795 . 0 0 "[ . 1 . ]" 1
504 1 45 LYS QB 1 46 TYR H 2.900 2.200 3.600 2.518 2.454 2.593 . 0 0 "[ . 1 . ]" 1
505 1 45 LYS QB 1 48 ALA H 5.200 3.900 6.500 5.113 4.989 5.220 . 0 0 "[ . 1 . ]" 1
506 1 45 LYS QB 1 48 ALA MB 3.900 2.900 4.900 4.321 4.116 4.474 . 0 0 "[ . 1 . ]" 1
507 1 45 LYS QE 1 46 TYR HA 4.100 3.100 5.100 4.644 4.314 5.018 . 0 0 "[ . 1 . ]" 1
508 1 46 TYR H 1 46 TYR HA 3.300 2.500 4.100 2.842 2.834 2.854 . 0 0 "[ . 1 . ]" 1
509 1 46 TYR H 1 46 TYR QB 2.300 . 2.900 2.241 2.231 2.248 . 0 0 "[ . 1 . ]" 1
510 1 46 TYR H 1 47 ILE H 2.600 . 3.300 2.821 2.732 2.857 . 0 0 "[ . 1 . ]" 1
511 1 46 TYR H 1 47 ILE HB 4.100 3.100 5.100 4.887 4.753 4.989 . 0 0 "[ . 1 . ]" 1
512 1 46 TYR HA 1 49 GLU H 4.200 3.100 5.300 3.500 3.431 3.643 . 0 0 "[ . 1 . ]" 1
513 1 46 TYR HA 1 49 GLU QB 3.600 2.700 4.500 2.821 2.695 3.021 0.005 7 0 "[ . 1 . ]" 1
514 1 46 TYR HA 1 49 GLU QG 4.500 3.400 5.600 4.120 3.382 5.062 0.018 9 0 "[ . 1 . ]" 1
515 1 46 TYR QD 1 49 GLU QB 4.400 3.500 5.500 3.593 3.482 3.773 0.018 5 0 "[ . 1 . ]" 1
516 1 46 TYR QD 1 50 LEU QD 4.300 3.200 5.400 3.426 3.347 3.581 . 0 0 "[ . 1 . ]" 1
517 1 46 TYR QD 1 50 LEU HG 4.600 3.400 5.800 4.375 4.330 4.402 . 0 0 "[ . 1 . ]" 1
518 1 46 TYR QE 1 50 LEU QD 3.700 2.800 3.900 2.727 2.697 2.742 0.103 5 0 "[ . 1 . ]" 1
519 1 46 TYR QE 1 50 LEU HG 4.500 3.400 5.600 4.416 4.192 4.500 . 0 0 "[ . 1 . ]" 1
520 1 47 ILE H 1 47 ILE HA 2.900 2.200 3.600 2.823 2.813 2.836 . 0 0 "[ . 1 . ]" 1
521 1 47 ILE H 1 47 ILE MD 3.300 2.500 4.100 3.208 3.140 3.305 . 0 0 "[ . 1 . ]" 1
522 1 47 ILE H 1 48 ALA H 2.700 . 3.400 2.849 2.773 2.907 . 0 0 "[ . 1 . ]" 1
523 1 47 ILE H 1 48 ALA MB 5.000 3.800 6.200 4.455 4.401 4.498 . 0 0 "[ . 1 . ]" 1
524 1 47 ILE HA 1 48 ALA H 4.200 3.100 5.300 3.568 3.555 3.576 . 0 0 "[ . 1 . ]" 1
525 1 47 ILE HA 1 50 LEU H 4.600 3.500 5.700 3.524 3.467 3.602 0.033 17 0 "[ . 1 . ]" 1
526 1 47 ILE HA 1 50 LEU QB 4.600 3.400 4.600 3.397 3.360 3.482 0.040 19 0 "[ . 1 . ]" 1
527 1 47 ILE HA 1 50 LEU QD 3.600 2.700 4.500 2.699 2.680 2.781 0.020 5 0 "[ . 1 . ]" 1
528 1 47 ILE HB 1 48 ALA H 2.400 . 3.000 2.338 2.270 2.455 . 0 0 "[ . 1 . ]" 1
529 1 47 ILE MD 1 48 ALA H 3.400 2.600 4.200 4.158 4.116 4.217 0.017 10 0 "[ . 1 . ]" 1
530 1 47 ILE MD 1 48 ALA HA 4.500 3.400 5.600 5.666 5.649 5.684 0.084 18 0 "[ . 1 . ]" 1
531 1 47 ILE MG 1 48 ALA HA 3.400 2.600 4.200 3.295 3.132 3.478 . 0 0 "[ . 1 . ]" 1
532 1 47 ILE MG 1 48 ALA MB 4.000 3.000 5.000 3.976 3.752 4.157 . 0 0 "[ . 1 . ]" 1
533 1 47 ILE MG 1 50 LEU QB 4.500 3.400 5.600 3.608 3.528 3.743 . 0 0 "[ . 1 . ]" 1
534 1 47 ILE MG 1 51 GLU QB 4.500 3.400 5.600 4.368 4.112 4.620 . 0 0 "[ . 1 . ]" 1
535 1 47 ILE MG 1 51 GLU QG 3.500 2.900 4.400 3.288 2.887 4.284 0.013 2 0 "[ . 1 . ]" 1
536 1 48 ALA H 1 48 ALA HA 2.300 . 2.900 2.804 2.791 2.828 . 0 0 "[ . 1 . ]" 1
537 1 48 ALA H 1 48 ALA MB 2.000 . 2.500 2.247 2.233 2.252 . 0 0 "[ . 1 . ]" 1
538 1 48 ALA H 1 49 GLU H 2.300 . 2.900 2.848 2.754 2.908 0.008 16 0 "[ . 1 . ]" 1
539 1 48 ALA HA 1 51 GLU QB 3.800 2.800 4.100 2.778 2.746 2.825 0.054 12 0 "[ . 1 . ]" 1
540 1 48 ALA HA 1 51 GLU QG 4.400 3.400 5.500 3.435 3.366 4.214 0.034 6 0 "[ . 1 . ]" 1
541 1 48 ALA MB 1 49 GLU H 2.600 . 3.300 2.523 2.448 2.690 . 0 0 "[ . 1 . ]" 1
542 1 48 ALA MB 1 49 GLU QG 4.400 3.300 5.500 4.303 3.310 5.438 . 0 0 "[ . 1 . ]" 1
543 1 48 ALA MB 1 51 GLU QB 4.300 3.200 5.400 3.869 3.741 4.005 . 0 0 "[ . 1 . ]" 1
544 1 48 ALA MB 1 52 VAL QG 4.100 3.100 4.900 3.644 3.524 3.813 . 0 0 "[ . 1 . ]" 1
545 1 49 GLU H 1 49 GLU QB 2.800 2.100 2.900 2.260 2.156 2.371 . 0 0 "[ . 1 . ]" 1
546 1 49 GLU H 1 49 GLU QG 3.000 2.200 3.800 3.256 2.301 4.030 0.230 14 0 "[ . 1 . ]" 1
547 1 49 GLU H 1 50 LEU H 3.000 2.200 3.800 2.735 2.596 2.777 . 0 0 "[ . 1 . ]" 1
548 1 49 GLU H 1 52 VAL H 4.700 3.500 5.900 5.158 5.091 5.227 . 0 0 "[ . 1 . ]" 1
549 1 49 GLU HA 1 50 LEU QD 4.900 3.700 6.100 4.589 4.419 4.808 . 0 0 "[ . 1 . ]" 1
550 1 49 GLU HA 1 52 VAL H 3.800 2.900 4.700 3.659 3.500 3.798 . 0 0 "[ . 1 . ]" 1
551 1 49 GLU HA 1 52 VAL HB 3.200 2.400 4.000 3.436 3.240 3.597 . 0 0 "[ . 1 . ]" 1
552 1 49 GLU HA 1 52 VAL QG . 2.700 3.500 3.134 2.818 3.407 . 0 0 "[ . 1 . ]" 1
553 1 49 GLU QB 1 50 LEU H 3.900 2.900 4.900 2.867 2.843 2.882 0.057 19 0 "[ . 1 . ]" 1
554 1 50 LEU H 1 50 LEU HA 3.000 2.200 3.800 2.928 2.909 2.944 . 0 0 "[ . 1 . ]" 1
555 1 50 LEU H 1 50 LEU QB . 2.600 3.400 2.584 2.562 2.612 0.038 5 0 "[ . 1 . ]" 1
556 1 50 LEU H 1 50 LEU HG 2.800 2.100 3.500 2.084 2.063 2.097 0.037 19 0 "[ . 1 . ]" 1
557 1 50 LEU HA 1 53 GLN QB 2.900 2.200 3.600 2.420 2.308 2.593 . 0 0 "[ . 1 . ]" 1
558 1 50 LEU HA 1 53 GLN QG 4.500 3.400 5.600 3.800 3.376 4.594 0.024 16 0 "[ . 1 . ]" 1
559 1 50 LEU QB 1 51 GLU H 3.700 2.800 4.600 2.777 2.750 2.800 0.050 12 0 "[ . 1 . ]" 1
560 1 50 LEU QD 1 53 GLN QB 4.200 3.200 5.200 3.293 3.183 3.520 0.017 8 0 "[ . 1 . ]" 1
561 1 50 LEU HG 1 51 GLU H 3.800 2.900 4.700 4.102 4.045 4.172 . 0 0 "[ . 1 . ]" 1
562 1 51 GLU H 1 51 GLU HA 2.700 . 3.400 2.870 2.852 2.887 . 0 0 "[ . 1 . ]" 1
563 1 51 GLU H 1 51 GLU QB 2.800 2.100 2.800 2.303 2.078 2.398 0.022 12 0 "[ . 1 . ]" 1
564 1 51 GLU H 1 51 GLU QG 2.800 2.100 3.500 2.769 2.286 3.550 0.050 12 0 "[ . 1 . ]" 1
565 1 51 GLU H 1 52 VAL H 2.800 2.100 3.500 2.613 2.549 2.661 . 0 0 "[ . 1 . ]" 1
566 1 51 GLU HA 1 54 THR HB 4.600 3.400 5.800 3.832 3.368 4.944 0.032 7 0 "[ . 1 . ]" 1
567 1 51 GLU HA 1 54 THR MG 4.400 3.300 5.500 4.656 3.998 4.962 . 0 0 "[ . 1 . ]" 1
568 1 51 GLU QB 1 52 VAL H 3.700 2.800 4.600 2.817 2.779 2.896 0.021 3 0 "[ . 1 . ]" 1
569 1 52 VAL H 1 52 VAL HA 2.400 . 3.000 2.933 2.910 2.942 . 0 0 "[ . 1 . ]" 1
570 1 52 VAL H 1 52 VAL QG 2.400 . 3.000 2.110 2.057 2.169 . 0 0 "[ . 1 . ]" 1
571 1 52 VAL H 1 53 GLN H 2.300 . 2.900 2.403 2.345 2.501 . 0 0 "[ . 1 . ]" 1
572 1 52 VAL H 1 53 GLN QG 4.800 3.600 6.000 4.873 4.167 6.051 0.051 18 0 "[ . 1 . ]" 1
573 1 52 VAL HA 1 53 GLN H 2.900 2.200 3.600 3.525 3.512 3.548 . 0 0 "[ . 1 . ]" 1
574 1 52 VAL QG 1 53 GLN H 4.600 3.500 5.700 3.398 3.372 3.410 0.128 9 0 "[ . 1 . ]" 1
575 1 52 VAL QG 1 53 GLN HA 3.600 2.700 4.500 3.725 3.701 3.745 . 0 0 "[ . 1 . ]" 1
576 1 52 VAL QG 1 53 GLN QB 4.600 3.400 5.800 4.462 4.189 4.611 . 0 0 "[ . 1 . ]" 1
577 1 53 GLN H 1 53 GLN HA 2.700 . 3.400 2.918 2.880 2.933 . 0 0 "[ . 1 . ]" 1
578 1 53 GLN H 1 53 GLN QB 2.400 . 3.000 2.291 2.234 2.347 . 0 0 "[ . 1 . ]" 1
579 1 53 GLN H 1 53 GLN QG 3.000 2.200 3.800 3.035 2.479 4.019 0.219 18 0 "[ . 1 . ]" 1
580 1 53 GLN QB 1 54 THR H 3.600 2.700 4.500 2.695 2.662 2.804 0.038 9 0 "[ . 1 . ]" 1
581 1 53 GLN QB 1 54 THR HA 4.300 3.200 5.400 4.089 3.946 4.457 . 0 0 "[ . 1 . ]" 1
582 1 53 GLN QB 1 54 THR MG 3.800 2.900 4.700 4.222 3.028 4.766 0.066 18 0 "[ . 1 . ]" 1
583 1 53 GLN QB 1 56 MET ME 4.100 3.100 5.100 4.754 3.994 5.176 0.076 16 0 "[ . 1 . ]" 1
584 1 54 THR H 1 54 THR HA 2.500 . 3.100 2.958 2.928 2.997 . 0 0 "[ . 1 . ]" 1
585 1 54 THR H 1 54 THR MG 3.800 2.900 4.700 3.454 2.852 3.833 0.048 15 0 "[ . 1 . ]" 1
586 1 54 THR H 1 55 GLY QA 4.600 3.500 5.700 4.354 4.171 4.531 . 0 0 "[ . 1 . ]" 1
587 1 54 THR HA 1 55 GLY H 2.500 . 3.100 3.079 2.964 3.143 0.043 16 0 "[ . 1 . ]" 1
588 1 54 THR MG 1 55 GLY H 5.300 4.000 6.600 4.343 4.272 4.443 . 0 0 "[ . 1 . ]" 1
589 1 54 THR MG 1 55 GLY QA 4.400 3.300 5.500 4.591 4.108 5.248 . 0 0 "[ . 1 . ]" 1
590 1 55 GLY H 1 55 GLY QA 1.900 . 2.400 2.360 2.236 2.525 0.125 5 0 "[ . 1 . ]" 1
591 1 55 GLY QA 1 56 MET H 2.400 . 3.000 2.485 2.143 2.920 . 0 0 "[ . 1 . ]" 1
592 1 55 GLY QA 1 56 MET HA 4.600 3.500 5.700 4.111 3.984 4.350 . 0 0 "[ . 1 . ]" 1
593 1 55 GLY QA 1 57 THR H 4.800 3.600 6.000 5.196 3.584 5.806 0.016 12 0 "[ . 1 . ]" 1
594 1 56 MET H 1 56 MET HA 2.800 2.100 3.500 2.845 2.328 2.982 . 0 0 "[ . 1 . ]" 1
595 1 56 MET H 1 56 MET QB 2.500 . 3.100 2.529 2.256 3.217 0.117 10 0 "[ . 1 . ]" 1
596 1 56 MET H 1 56 MET QG 3.700 2.800 4.600 3.473 2.727 4.401 0.073 3 0 "[ . 1 . ]" 1
597 1 56 MET QB 1 57 THR H 3.300 2.500 4.100 3.218 2.484 4.020 0.016 11 0 "[ . 1 . ]" 1
598 1 57 THR H 1 57 THR MG 3.500 2.600 4.400 3.030 2.530 4.029 0.070 1 0 "[ . 1 . ]" 1
599 1 57 THR MG 1 58 GLN H 4.300 3.200 5.400 3.887 3.419 4.381 . 0 0 "[ . 1 . ]" 1
600 1 58 GLN H 1 58 GLN QB 2.600 . 3.300 2.625 2.278 3.348 0.048 12 0 "[ . 1 . ]" 1
601 1 58 GLN H 1 58 GLN QG 3.500 2.600 4.400 3.523 2.568 4.214 0.032 17 0 "[ . 1 . ]" 1
602 1 58 GLN HA 1 59 ARG QB 3.200 2.400 4.000 4.052 3.861 4.153 0.153 5 0 "[ . 1 . ]" 1
603 1 58 GLN QG 1 59 ARG H 3.500 2.600 4.400 3.442 2.581 4.213 0.019 5 0 "[ . 1 . ]" 1
604 1 59 ARG H 1 59 ARG QB 2.700 . 3.400 2.947 2.160 3.273 . 0 0 "[ . 1 . ]" 1
605 1 60 ARG H 1 60 ARG QB 2.600 . 3.300 2.765 2.236 3.348 0.048 3 0 "[ . 1 . ]" 1
606 1 61 ARG H 1 61 ARG QB 3.300 2.600 4.100 2.861 2.463 3.385 0.137 16 0 "[ . 1 . ]" 1
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