NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560983 |
2lrx   |
18400 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lrx
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 620
_Distance_constraint_stats_list.Viol_count 154
_Distance_constraint_stats_list.Viol_total 44.555
_Distance_constraint_stats_list.Viol_max 0.255
_Distance_constraint_stats_list.Viol_rms 0.0074
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0289
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 GLN 0.000 0.000 . 0 "[ . 1]"
1 3 PRO 0.000 0.000 . 0 "[ . 1]"
1 4 ARG 0.000 0.000 . 0 "[ . 1]"
1 5 PRO 0.083 0.025 9 0 "[ . 1]"
1 6 ALA 0.368 0.048 8 0 "[ . 1]"
1 7 LYS 0.008 0.008 8 0 "[ . 1]"
1 8 TYR 0.007 0.007 10 0 "[ . 1]"
1 9 LYS 0.043 0.043 6 0 "[ . 1]"
1 10 PHE 0.657 0.056 6 0 "[ . 1]"
1 11 THR 0.000 0.000 . 0 "[ . 1]"
1 12 ASP 0.121 0.043 10 0 "[ . 1]"
1 13 VAL 0.611 0.137 5 0 "[ . 1]"
1 14 ASN 0.044 0.005 6 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 THR 0.043 0.043 6 0 "[ . 1]"
1 18 LYS 0.538 0.056 6 0 "[ . 1]"
1 19 THR 0.058 0.019 9 0 "[ . 1]"
1 20 TRP 1.136 0.113 3 0 "[ . 1]"
1 21 THR 0.365 0.048 8 0 "[ . 1]"
1 22 GLY 0.000 0.000 . 0 "[ . 1]"
1 23 GLN 0.857 0.255 9 0 "[ . 1]"
1 24 GLY 0.774 0.255 9 0 "[ . 1]"
1 25 ARG 0.000 0.000 . 0 "[ . 1]"
1 26 THR 0.567 0.137 5 0 "[ . 1]"
1 27 PRO 0.395 0.053 5 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 PRO 0.047 0.010 9 0 "[ . 1]"
1 30 ILE 0.194 0.099 6 0 "[ . 1]"
1 31 ALA 0.000 0.000 . 0 "[ . 1]"
1 32 GLN 0.059 0.010 9 0 "[ . 1]"
1 33 ALA 0.162 0.038 5 0 "[ . 1]"
1 34 LEU 0.162 0.038 5 0 "[ . 1]"
1 35 ALA 0.071 0.017 6 0 "[ . 1]"
1 36 GLU 0.030 0.018 1 0 "[ . 1]"
1 37 GLY 0.018 0.018 1 0 "[ . 1]"
1 38 LYS 0.071 0.017 6 0 "[ . 1]"
1 39 SER 0.017 0.017 7 0 "[ . 1]"
1 40 LEU 0.322 0.068 1 0 "[ . 1]"
1 41 ASP 0.242 0.068 1 0 "[ . 1]"
1 42 ASP 0.017 0.017 7 0 "[ . 1]"
1 43 PHE 0.000 0.000 . 0 "[ . 1]"
1 44 LEU 0.000 0.000 . 0 "[ . 1]"
1 45 ILE 0.014 0.008 8 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 ARG HA 1 1 ARG QD 3.000 . 6.500 3.565 2.205 4.345 . 0 0 "[ . 1]" 1
2 1 1 ARG HA 1 1 ARG QG 3.200 . 6.500 2.450 2.117 3.327 . 0 0 "[ . 1]" 1
3 1 2 GLN HA 1 2 GLN QG 3.200 . 6.500 2.571 2.092 3.329 . 0 0 "[ . 1]" 1
4 1 2 GLN HA 1 3 PRO HD2 2.500 . 6.500 2.809 2.680 3.297 . 0 0 "[ . 1]" 1
5 1 2 GLN HA 1 3 PRO HD3 2.300 . 6.500 2.035 1.921 2.215 . 0 0 "[ . 1]" 1
6 1 2 GLN HB2 1 3 PRO HD2 2.700 . 6.500 4.651 2.158 5.411 . 0 0 "[ . 1]" 1
7 1 2 GLN HB2 1 3 PRO HD3 2.800 . 6.500 4.212 2.489 4.705 . 0 0 "[ . 1]" 1
8 1 2 GLN HB3 1 3 PRO HD2 3.300 . 6.500 4.464 3.699 5.093 . 0 0 "[ . 1]" 1
9 1 2 GLN HB3 1 3 PRO HD3 3.600 . 6.500 4.259 3.309 4.667 . 0 0 "[ . 1]" 1
10 1 2 GLN QG 1 3 PRO HD2 3.500 . 6.500 4.249 3.323 5.389 . 0 0 "[ . 1]" 1
11 1 2 GLN QG 1 3 PRO HD3 4.000 . 6.500 4.056 3.543 4.613 . 0 0 "[ . 1]" 1
12 1 3 PRO HA 1 3 PRO HB3 2.500 . 6.500 2.287 2.286 2.288 . 0 0 "[ . 1]" 1
13 1 3 PRO HA 1 3 PRO QG 2.800 . 6.500 3.470 3.464 3.479 . 0 0 "[ . 1]" 1
14 1 3 PRO HA 1 4 ARG H 2.500 . 6.500 2.410 2.401 2.418 . 0 0 "[ . 1]" 1
15 1 3 PRO HA 1 4 ARG HB2 3.300 . 6.500 4.832 4.525 5.911 . 0 0 "[ . 1]" 1
16 1 3 PRO QB 1 3 PRO HD2 2.600 . 6.500 3.209 3.200 3.225 . 0 0 "[ . 1]" 1
17 1 3 PRO QB 1 3 PRO HD3 2.600 . 6.500 3.515 3.507 3.520 . 0 0 "[ . 1]" 1
18 1 3 PRO HB2 1 3 PRO HD2 3.600 . 6.500 3.402 3.389 3.425 . 0 0 "[ . 1]" 1
19 1 3 PRO HB3 1 3 PRO HD2 4.000 . 6.500 3.932 3.931 3.936 . 0 0 "[ . 1]" 1
20 1 3 PRO QD 1 5 PRO HB2 3.000 . 5.500 5.027 5.025 5.029 . 0 0 "[ . 1]" 1
21 1 4 ARG H 1 4 ARG HB2 2.300 . 5.500 2.482 2.162 3.608 . 0 0 "[ . 1]" 1
22 1 4 ARG HA 1 4 ARG HB2 2.600 . 6.500 2.762 2.451 3.030 . 0 0 "[ . 1]" 1
23 1 4 ARG HA 1 4 ARG HB3 2.700 . 6.500 2.768 2.360 3.030 . 0 0 "[ . 1]" 1
24 1 4 ARG HA 1 5 PRO HB2 3.500 . 6.500 5.548 5.547 5.549 . 0 0 "[ . 1]" 1
25 1 4 ARG HA 1 5 PRO HB3 3.500 . 6.500 4.784 4.775 4.789 . 0 0 "[ . 1]" 1
26 1 4 ARG HA 1 5 PRO HD2 2.500 . 6.500 2.335 2.331 2.338 . 0 0 "[ . 1]" 1
27 1 4 ARG HA 1 5 PRO HD3 2.500 . 6.500 2.214 2.211 2.218 . 0 0 "[ . 1]" 1
28 1 4 ARG HB2 1 5 PRO HD2 3.400 . 6.500 4.762 3.936 5.024 . 0 0 "[ . 1]" 1
29 1 4 ARG HB2 1 5 PRO HD3 3.400 . 6.500 4.795 4.508 4.937 . 0 0 "[ . 1]" 1
30 1 4 ARG HB3 1 4 ARG HD3 3.500 . 6.500 3.098 2.528 3.656 . 0 0 "[ . 1]" 1
31 1 5 PRO HA 1 5 PRO HB3 2.400 . 6.500 2.331 2.329 2.333 . 0 0 "[ . 1]" 1
32 1 5 PRO HA 1 5 PRO HD3 3.300 . 6.500 3.890 3.887 3.893 . 0 0 "[ . 1]" 1
33 1 5 PRO HA 1 5 PRO QG 2.900 . 6.500 3.511 3.510 3.512 . 0 0 "[ . 1]" 1
34 1 5 PRO HA 1 6 ALA H 2.300 . 6.500 2.214 2.145 2.452 . 0 0 "[ . 1]" 1
35 1 5 PRO HA 1 6 ALA MB 3.100 . 6.500 3.986 3.891 4.173 . 0 0 "[ . 1]" 1
36 1 5 PRO HB2 1 6 ALA H 3.200 . 5.500 3.513 2.501 4.161 . 0 0 "[ . 1]" 1
37 1 5 PRO HB2 1 23 GLN HA 3.100 . 6.500 6.508 6.500 6.525 0.025 9 0 "[ . 1]" 1
38 1 5 PRO HB3 1 5 PRO HD3 3.300 . 6.500 3.106 3.098 3.113 . 0 0 "[ . 1]" 1
39 1 5 PRO HB3 1 6 ALA H 3.300 . 6.500 4.124 3.589 4.498 . 0 0 "[ . 1]" 1
40 1 6 ALA H 1 6 ALA HA 2.900 . 5.500 2.912 2.872 2.935 . 0 0 "[ . 1]" 1
41 1 6 ALA H 1 6 ALA MB 2.700 . 5.500 2.276 2.180 2.346 . 0 0 "[ . 1]" 1
42 1 6 ALA H 1 7 LYS H 3.200 . 5.500 4.333 4.225 4.558 . 0 0 "[ . 1]" 1
43 1 6 ALA H 1 19 THR HB 1.900 . 5.500 5.488 5.324 5.519 0.019 9 0 "[ . 1]" 1
44 1 6 ALA HA 1 7 LYS H 2.500 . 5.500 2.850 2.500 3.011 . 0 0 "[ . 1]" 1
45 1 6 ALA HA 1 21 THR HB 2.700 . 6.500 6.531 6.504 6.548 0.048 8 0 "[ . 1]" 1
46 1 6 ALA MB 1 7 LYS H 3.100 . 5.500 2.008 1.883 2.232 . 0 0 "[ . 1]" 1
47 1 6 ALA MB 1 7 LYS HA 2.300 . 6.500 4.050 4.028 4.087 . 0 0 "[ . 1]" 1
48 1 6 ALA MB 1 19 THR HB 2.800 . 6.500 5.012 4.871 5.173 . 0 0 "[ . 1]" 1
49 1 7 LYS H 1 7 LYS HA 2.900 . 5.500 2.930 2.926 2.933 . 0 0 "[ . 1]" 1
50 1 7 LYS H 1 7 LYS HB2 3.500 . 6.500 2.921 2.885 2.978 . 0 0 "[ . 1]" 1
51 1 7 LYS H 1 7 LYS HB3 3.400 . 6.500 2.459 2.411 2.497 . 0 0 "[ . 1]" 1
52 1 7 LYS H 1 8 TYR H 2.200 . 5.500 4.438 4.428 4.450 . 0 0 "[ . 1]" 1
53 1 7 LYS H 1 19 THR MG 2.800 . 5.500 4.477 4.355 4.605 . 0 0 "[ . 1]" 1
54 1 7 LYS HA 1 7 LYS HB3 2.800 . 6.500 3.022 3.020 3.024 . 0 0 "[ . 1]" 1
55 1 7 LYS HA 1 7 LYS QE 4.500 . 5.500 4.090 4.044 4.134 . 0 0 "[ . 1]" 1
56 1 7 LYS HA 1 7 LYS QG 3.000 . 5.500 2.483 2.438 2.544 . 0 0 "[ . 1]" 1
57 1 7 LYS HA 1 8 TYR H 3.100 . 5.500 2.124 2.109 2.134 . 0 0 "[ . 1]" 1
58 1 7 LYS HA 1 8 TYR QD 4.000 . 6.000 4.816 4.731 4.891 . 0 0 "[ . 1]" 1
59 1 7 LYS HA 1 45 ILE MD 3.100 . 6.500 4.807 4.594 5.074 . 0 0 "[ . 1]" 1
60 1 7 LYS QB 1 7 LYS QE 3.300 . 5.500 1.891 1.835 1.977 . 0 0 "[ . 1]" 1
61 1 7 LYS QB 1 8 TYR H 2.800 . 5.500 3.708 3.688 3.728 . 0 0 "[ . 1]" 1
62 1 7 LYS QD 1 7 LYS QG 2.100 . 5.500 1.983 1.977 1.989 . 0 0 "[ . 1]" 1
63 1 7 LYS QD 1 8 TYR HA 3.400 . 6.500 2.464 2.431 2.494 . 0 0 "[ . 1]" 1
64 1 7 LYS QD 1 8 TYR QE 3.600 . 6.500 5.181 5.176 5.185 . 0 0 "[ . 1]" 1
65 1 7 LYS QD 1 45 ILE H 2.900 . 6.500 5.063 4.556 5.629 . 0 0 "[ . 1]" 1
66 1 7 LYS QD 1 45 ILE HA 3.200 . 6.500 4.984 4.316 5.503 . 0 0 "[ . 1]" 1
67 1 7 LYS HD3 1 45 ILE HA 2.600 . 6.500 5.866 5.194 6.508 0.008 8 0 "[ . 1]" 1
68 1 7 LYS QE 1 7 LYS HG2 3.000 . 4.000 3.394 3.308 3.522 . 0 0 "[ . 1]" 1
69 1 7 LYS QE 1 7 LYS QG 3.200 . 6.500 2.647 2.423 2.959 . 0 0 "[ . 1]" 1
70 1 7 LYS QE 1 8 TYR QE 3.300 . 5.500 4.380 4.374 4.385 . 0 0 "[ . 1]" 1
71 1 7 LYS QE 1 44 LEU MD1 3.200 . 6.500 4.829 4.823 4.835 . 0 0 "[ . 1]" 1
72 1 7 LYS QG 1 18 LYS QG 3.100 . 6.500 5.215 5.208 5.223 . 0 0 "[ . 1]" 1
73 1 8 TYR H 1 8 TYR HA 2.700 . 5.500 2.886 2.872 2.900 . 0 0 "[ . 1]" 1
74 1 8 TYR H 1 8 TYR HB2 2.600 . 5.500 2.839 2.821 2.853 . 0 0 "[ . 1]" 1
75 1 8 TYR H 1 8 TYR QB 2.800 . 5.500 2.771 2.754 2.785 . 0 0 "[ . 1]" 1
76 1 8 TYR H 1 8 TYR QD 2.800 . 5.500 4.003 3.946 4.047 . 0 0 "[ . 1]" 1
77 1 8 TYR H 1 9 LYS H 3.500 . 5.500 4.371 4.361 4.383 . 0 0 "[ . 1]" 1
78 1 8 TYR H 1 20 TRP H 2.900 . 5.500 3.619 3.270 3.951 . 0 0 "[ . 1]" 1
79 1 8 TYR H 1 45 ILE MD 3.000 . 5.500 3.848 3.758 3.975 . 0 0 "[ . 1]" 1
80 1 8 TYR HA 1 8 TYR QD 3.300 . 6.500 1.924 1.859 2.013 . 0 0 "[ . 1]" 1
81 1 8 TYR HA 1 9 LYS H 2.900 . 6.500 2.480 2.455 2.505 . 0 0 "[ . 1]" 1
82 1 8 TYR HA 1 9 LYS QB 3.000 . 6.500 3.954 3.888 3.984 . 0 0 "[ . 1]" 1
83 1 8 TYR HA 1 9 LYS QG 3.300 . 6.500 5.710 5.178 5.838 . 0 0 "[ . 1]" 1
84 1 8 TYR HA 1 19 THR MG 3.400 . 6.500 4.058 3.949 4.206 . 0 0 "[ . 1]" 1
85 1 8 TYR HA 1 20 TRP H 2.400 . 5.500 4.986 4.615 5.328 . 0 0 "[ . 1]" 1
86 1 8 TYR HA 1 44 LEU HA 3.200 . 6.500 4.044 3.515 4.583 . 0 0 "[ . 1]" 1
87 1 8 TYR HA 1 45 ILE H 3.300 . 5.500 3.272 2.715 3.750 . 0 0 "[ . 1]" 1
88 1 8 TYR HA 1 45 ILE MD 3.300 . 6.500 1.842 1.793 1.924 0.007 10 0 "[ . 1]" 1
89 1 8 TYR QB 1 8 TYR QD 2.500 . 6.000 2.211 2.193 2.223 . 0 0 "[ . 1]" 1
90 1 8 TYR QB 1 9 LYS H 3.100 . 5.500 2.275 2.247 2.314 . 0 0 "[ . 1]" 1
91 1 8 TYR QB 1 9 LYS HA 4.000 . 6.000 4.110 4.090 4.128 . 0 0 "[ . 1]" 1
92 1 8 TYR QB 1 20 TRP H 2.900 . 5.500 2.431 2.107 2.807 . 0 0 "[ . 1]" 1
93 1 8 TYR HB2 1 20 TRP H 3.500 . 5.500 2.470 2.122 2.882 . 0 0 "[ . 1]" 1
94 1 8 TYR HB2 1 20 TRP HB2 3.600 . 6.500 5.556 4.978 6.095 . 0 0 "[ . 1]" 1
95 1 8 TYR HB2 1 45 ILE H 3.400 . 5.500 4.795 4.362 5.252 . 0 0 "[ . 1]" 1
96 1 8 TYR HB3 1 8 TYR QD 3.200 . 6.500 2.753 2.734 2.764 . 0 0 "[ . 1]" 1
97 1 8 TYR HB3 1 10 PHE QD 3.100 . 6.500 5.703 5.515 5.805 . 0 0 "[ . 1]" 1
98 1 8 TYR QD 1 44 LEU HA 3.100 . 6.500 3.266 2.763 3.709 . 0 0 "[ . 1]" 1
99 1 8 TYR QD 1 44 LEU MD1 3.000 . 5.000 3.010 2.566 3.540 . 0 0 "[ . 1]" 1
100 1 8 TYR QD 1 44 LEU MD2 4.000 . 6.000 4.416 4.313 4.458 . 0 0 "[ . 1]" 1
101 1 8 TYR QD 1 45 ILE H 3.200 . 5.500 3.288 2.711 3.752 . 0 0 "[ . 1]" 1
102 1 8 TYR QD 1 45 ILE HA 2.500 . 6.000 4.700 4.129 5.354 . 0 0 "[ . 1]" 1
103 1 8 TYR QE 1 41 ASP HA 3.500 . 6.500 4.211 3.743 4.443 . 0 0 "[ . 1]" 1
104 1 8 TYR QE 1 44 LEU HA 4.000 . 6.000 4.466 4.076 4.710 . 0 0 "[ . 1]" 1
105 1 8 TYR QE 1 44 LEU MD1 3.000 . 5.000 2.577 1.987 3.032 . 0 0 "[ . 1]" 1
106 1 8 TYR QE 1 44 LEU MD2 3.500 . 6.500 3.293 3.163 3.392 . 0 0 "[ . 1]" 1
107 1 9 LYS H 1 9 LYS HA 2.600 . 5.500 2.944 2.943 2.947 . 0 0 "[ . 1]" 1
108 1 9 LYS H 1 9 LYS QB 3.200 . 5.500 2.430 2.420 2.444 . 0 0 "[ . 1]" 1
109 1 9 LYS H 1 9 LYS QG 2.800 . 5.500 4.005 3.950 4.104 . 0 0 "[ . 1]" 1
110 1 9 LYS H 1 45 ILE H 3.400 . 5.500 1.961 1.915 2.088 . 0 0 "[ . 1]" 1
111 1 9 LYS HA 1 10 PHE H 2.900 . 5.500 2.102 2.095 2.112 . 0 0 "[ . 1]" 1
112 1 9 LYS HA 1 10 PHE QD 3.000 . 5.500 4.031 3.831 4.159 . 0 0 "[ . 1]" 1
113 1 9 LYS HA 1 19 THR MG 2.600 . 6.500 4.122 3.867 4.287 . 0 0 "[ . 1]" 1
114 1 9 LYS QB 1 10 PHE H 3.200 . 5.500 3.731 3.616 3.767 . 0 0 "[ . 1]" 1
115 1 9 LYS QB 1 17 THR MG 3.300 . 6.500 4.477 3.935 4.835 . 0 0 "[ . 1]" 1
116 1 9 LYS QB 1 19 THR MG 2.900 . 6.500 4.867 4.858 4.885 . 0 0 "[ . 1]" 1
117 1 9 LYS QB 1 45 ILE HA 3.500 . 6.500 2.072 1.935 2.332 . 0 0 "[ . 1]" 1
118 1 9 LYS QB 1 45 ILE MG 3.100 . 6.500 3.294 2.885 3.567 . 0 0 "[ . 1]" 1
119 1 9 LYS QD 1 17 THR MG 3.300 . 6.500 2.609 1.757 3.138 0.043 6 0 "[ . 1]" 1
120 1 9 LYS QD 1 45 ILE HA 3.000 . 6.500 4.472 3.926 5.296 . 0 0 "[ . 1]" 1
121 1 9 LYS QE 1 9 LYS QG 2.900 . 4.000 2.306 1.997 2.890 . 0 0 "[ . 1]" 1
122 1 9 LYS QE 1 18 LYS HB3 2.800 . 6.500 5.663 4.965 5.795 . 0 0 "[ . 1]" 1
123 1 9 LYS QE 1 19 THR MG 3.200 . 6.500 4.522 4.261 4.811 . 0 0 "[ . 1]" 1
124 1 9 LYS QE 1 45 ILE HA 3.400 . 6.500 5.335 4.765 5.795 . 0 0 "[ . 1]" 1
125 1 9 LYS QG 1 10 PHE H 2.800 . 5.500 2.912 2.605 3.680 . 0 0 "[ . 1]" 1
126 1 9 LYS QG 1 17 THR MG 3.100 . 6.500 3.238 2.389 4.158 . 0 0 "[ . 1]" 1
127 1 10 PHE H 1 10 PHE HA 2.800 . 5.500 2.875 2.868 2.887 . 0 0 "[ . 1]" 1
128 1 10 PHE H 1 10 PHE HB2 3.000 . 5.500 3.993 3.980 4.017 . 0 0 "[ . 1]" 1
129 1 10 PHE H 1 10 PHE QB 3.000 . 6.500 2.956 2.930 3.015 . 0 0 "[ . 1]" 1
130 1 10 PHE H 1 10 PHE QD 2.700 . 5.500 2.408 2.241 2.535 . 0 0 "[ . 1]" 1
131 1 10 PHE H 1 10 PHE QE 3.500 . 5.500 4.682 4.517 4.803 . 0 0 "[ . 1]" 1
132 1 10 PHE H 1 17 THR HA 3.400 . 5.500 3.813 3.610 4.015 . 0 0 "[ . 1]" 1
133 1 10 PHE HA 1 10 PHE QB 2.500 . 6.500 2.169 2.166 2.174 . 0 0 "[ . 1]" 1
134 1 10 PHE HA 1 10 PHE QD 3.400 . 5.500 3.601 3.591 3.613 . 0 0 "[ . 1]" 1
135 1 10 PHE HA 1 11 THR H 2.400 . 5.500 2.548 2.531 2.561 . 0 0 "[ . 1]" 1
136 1 10 PHE QB 1 10 PHE QD 2.900 . 6.500 2.173 2.163 2.185 . 0 0 "[ . 1]" 1
137 1 10 PHE QB 1 11 THR H 2.400 . 5.500 2.651 2.561 2.706 . 0 0 "[ . 1]" 1
138 1 10 PHE QB 1 20 TRP HE3 3.000 . 4.000 3.542 3.409 3.596 . 0 0 "[ . 1]" 1
139 1 10 PHE QB 1 30 ILE MD 3.400 . 6.500 1.999 1.812 2.345 . 0 0 "[ . 1]" 1
140 1 10 PHE QB 1 43 PHE QD 3.000 . 5.500 4.157 3.524 4.374 . 0 0 "[ . 1]" 1
141 1 10 PHE HB2 1 30 ILE MD 3.100 . 4.000 2.015 1.825 2.376 . 0 0 "[ . 1]" 1
142 1 10 PHE HB2 1 30 ILE QG 4.000 . 6.000 3.287 3.041 3.498 . 0 0 "[ . 1]" 1
143 1 10 PHE QD 1 11 THR H 2.900 . 5.500 3.194 3.101 3.286 . 0 0 "[ . 1]" 1
144 1 10 PHE QD 1 12 ASP HA 3.100 . 5.500 4.265 4.182 4.350 . 0 0 "[ . 1]" 1
145 1 10 PHE QD 1 20 TRP H 3.500 . 5.500 3.976 3.775 4.189 . 0 0 "[ . 1]" 1
146 1 10 PHE QD 1 20 TRP HB2 3.700 . 6.500 3.235 2.691 3.789 . 0 0 "[ . 1]" 1
147 1 10 PHE QD 1 20 TRP HB3 3.700 . 6.500 2.915 2.842 3.063 . 0 0 "[ . 1]" 1
148 1 10 PHE QD 1 20 TRP HE3 3.000 . 5.500 2.929 2.682 3.159 . 0 0 "[ . 1]" 1
149 1 10 PHE QD 1 27 PRO QG 4.000 . 6.000 3.004 2.807 3.346 . 0 0 "[ . 1]" 1
150 1 10 PHE QD 1 30 ILE MD 3.200 . 6.500 1.992 1.898 2.139 . 0 0 "[ . 1]" 1
151 1 10 PHE QD 1 30 ILE QG 4.000 . 6.000 1.938 1.827 2.155 . 0 0 "[ . 1]" 1
152 1 10 PHE QD 1 43 PHE HB2 3.300 . 6.500 5.805 5.791 5.822 . 0 0 "[ . 1]" 1
153 1 10 PHE QE 1 12 ASP HA 3.200 . 5.500 2.785 2.702 2.857 . 0 0 "[ . 1]" 1
154 1 10 PHE QE 1 18 LYS HB2 4.000 . 6.000 3.848 3.813 3.972 . 0 0 "[ . 1]" 1
155 1 10 PHE QE 1 18 LYS QB 4.000 . 6.000 3.413 3.324 3.569 . 0 0 "[ . 1]" 1
156 1 10 PHE QE 1 20 TRP QB 3.000 . 4.000 2.478 2.383 2.618 . 0 0 "[ . 1]" 1
157 1 10 PHE QE 1 26 THR HA 3.300 . 6.500 4.512 4.211 4.784 . 0 0 "[ . 1]" 1
158 1 10 PHE QE 1 30 ILE QG 4.000 . 6.000 3.017 2.581 3.395 . 0 0 "[ . 1]" 1
159 1 10 PHE HZ 1 18 LYS HB2 4.000 . 6.000 6.042 6.014 6.056 0.056 6 0 "[ . 1]" 1
160 1 10 PHE HZ 1 27 PRO HB2 4.000 . 6.000 6.013 5.886 6.053 0.053 5 0 "[ . 1]" 1
161 1 10 PHE HZ 1 27 PRO HB3 3.800 . 6.500 5.294 5.114 5.583 . 0 0 "[ . 1]" 1
162 1 10 PHE HZ 1 30 ILE QG 4.000 . 6.000 5.053 4.732 5.347 . 0 0 "[ . 1]" 1
163 1 11 THR H 1 11 THR HA 2.800 . 5.500 2.949 2.948 2.950 . 0 0 "[ . 1]" 1
164 1 11 THR H 1 11 THR HB 2.700 . 5.500 3.060 2.669 3.746 . 0 0 "[ . 1]" 1
165 1 11 THR H 1 11 THR MG 3.100 . 5.500 3.452 2.067 3.894 . 0 0 "[ . 1]" 1
166 1 11 THR HA 1 11 THR HB 2.800 . 6.500 2.818 2.461 3.025 . 0 0 "[ . 1]" 1
167 1 11 THR HA 1 12 ASP H 2.200 . 5.500 2.151 2.136 2.160 . 0 0 "[ . 1]" 1
168 1 11 THR HA 1 12 ASP QB 4.500 . 5.500 4.188 4.040 4.385 . 0 0 "[ . 1]" 1
169 1 11 THR HA 1 17 THR HA 2.900 . 6.500 2.212 1.997 2.442 . 0 0 "[ . 1]" 1
170 1 11 THR HA 1 17 THR MG 3.000 . 6.500 3.406 2.535 4.499 . 0 0 "[ . 1]" 1
171 1 11 THR HA 1 18 LYS H 2.800 . 5.500 3.761 3.533 4.100 . 0 0 "[ . 1]" 1
172 1 11 THR HA 1 18 LYS QE 3.000 . 6.500 5.820 5.808 5.845 . 0 0 "[ . 1]" 1
173 1 11 THR MG 1 12 ASP H 2.500 . 5.500 3.446 2.931 4.128 . 0 0 "[ . 1]" 1
174 1 11 THR MG 1 15 GLY HA2 3.100 . 6.500 2.965 1.896 4.249 . 0 0 "[ . 1]" 1
175 1 11 THR MG 1 15 GLY HA3 2.900 . 6.500 4.260 3.251 5.410 . 0 0 "[ . 1]" 1
176 1 12 ASP H 1 15 GLY H 3.100 . 5.500 4.164 3.816 4.714 . 0 0 "[ . 1]" 1
177 1 12 ASP H 1 16 GLU H 3.000 . 5.500 3.693 2.994 4.248 . 0 0 "[ . 1]" 1
178 1 12 ASP HA 1 12 ASP QB 2.100 . 5.500 2.441 2.366 2.492 . 0 0 "[ . 1]" 1
179 1 12 ASP HA 1 13 VAL H 2.600 . 5.500 2.532 2.426 2.624 . 0 0 "[ . 1]" 1
180 1 12 ASP HA 1 13 VAL HA 2.800 . 6.500 4.321 4.300 4.339 . 0 0 "[ . 1]" 1
181 1 12 ASP HA 1 13 VAL HB 4.000 . 6.500 4.665 4.593 4.741 . 0 0 "[ . 1]" 1
182 1 12 ASP HA 1 13 VAL QG 4.500 . 5.500 4.091 4.061 4.100 . 0 0 "[ . 1]" 1
183 1 12 ASP HA 1 16 GLU QG 4.500 . 6.500 4.913 4.158 5.792 . 0 0 "[ . 1]" 1
184 1 12 ASP HA 1 18 LYS H 3.300 . 5.500 5.434 5.090 5.543 0.043 10 0 "[ . 1]" 1
185 1 12 ASP HA 1 20 TRP HD1 4.500 . 5.500 4.993 4.848 5.346 . 0 0 "[ . 1]" 1
186 1 12 ASP HA 1 23 GLN QB 4.500 . 6.500 5.911 5.873 5.968 . 0 0 "[ . 1]" 1
187 1 12 ASP HA 1 27 PRO QD 4.500 . 5.500 3.191 2.888 3.470 . 0 0 "[ . 1]" 1
188 1 13 VAL H 1 13 VAL HA 2.700 . 5.500 2.843 2.780 2.877 . 0 0 "[ . 1]" 1
189 1 13 VAL H 1 13 VAL HB 2.400 . 5.500 2.623 2.567 2.678 . 0 0 "[ . 1]" 1
190 1 13 VAL H 1 13 VAL MG2 2.200 . 5.500 3.778 3.772 3.789 . 0 0 "[ . 1]" 1
191 1 13 VAL H 1 14 ASN H 2.800 . 5.500 2.533 2.427 2.687 . 0 0 "[ . 1]" 1
192 1 13 VAL HA 1 13 VAL HB 2.500 . 6.500 2.455 2.430 2.468 . 0 0 "[ . 1]" 1
193 1 13 VAL HA 1 13 VAL MG1 2.700 . 6.500 3.183 3.173 3.193 . 0 0 "[ . 1]" 1
194 1 13 VAL HA 1 13 VAL MG2 2.800 . 6.000 2.267 2.224 2.304 . 0 0 "[ . 1]" 1
195 1 13 VAL HA 1 14 ASN H 3.100 . 5.500 3.368 3.337 3.410 . 0 0 "[ . 1]" 1
196 1 13 VAL HA 1 14 ASN QB 3.300 . 5.500 5.018 5.010 5.026 . 0 0 "[ . 1]" 1
197 1 13 VAL HA 1 15 GLY H 3.300 . 5.500 3.799 3.642 3.935 . 0 0 "[ . 1]" 1
198 1 13 VAL HA 1 25 ARG QB 3.300 . 5.500 4.915 4.805 4.967 . 0 0 "[ . 1]" 1
199 1 13 VAL HB 1 14 ASN HD21 4.000 . 6.000 6.004 6.004 6.005 0.005 6 0 "[ . 1]" 1
200 1 13 VAL HB 1 26 THR HB 3.300 . 5.500 5.557 5.530 5.637 0.137 5 0 "[ . 1]" 1
201 1 13 VAL QG 1 14 ASN QB 4.500 . 6.000 2.763 2.558 2.905 . 0 0 "[ . 1]" 1
202 1 13 VAL QG 1 15 GLY H 3.400 . 5.500 4.067 3.979 4.095 . 0 0 "[ . 1]" 1
203 1 13 VAL MG1 1 14 ASN H 3.200 . 5.500 2.572 2.288 2.724 . 0 0 "[ . 1]" 1
204 1 13 VAL MG2 1 14 ASN H 3.200 . 6.500 3.959 3.852 4.039 . 0 0 "[ . 1]" 1
205 1 14 ASN H 1 14 ASN HA 2.700 . 5.500 2.922 2.920 2.924 . 0 0 "[ . 1]" 1
206 1 14 ASN H 1 14 ASN HB2 3.100 . 5.500 2.339 2.324 2.365 . 0 0 "[ . 1]" 1
207 1 14 ASN H 1 14 ASN QB 2.600 . 5.500 2.252 2.242 2.268 . 0 0 "[ . 1]" 1
208 1 14 ASN H 1 14 ASN HB3 3.300 . 6.500 2.935 2.917 2.947 . 0 0 "[ . 1]" 1
209 1 14 ASN H 1 14 ASN HD22 3.400 . 5.500 5.453 5.431 5.490 . 0 0 "[ . 1]" 1
210 1 14 ASN H 1 15 GLY H 2.400 . 5.500 2.313 2.218 2.621 . 0 0 "[ . 1]" 1
211 1 14 ASN H 1 15 GLY HA3 3.300 . 5.500 4.944 4.911 5.053 . 0 0 "[ . 1]" 1
212 1 14 ASN HA 1 14 ASN HB2 2.700 . 6.500 2.698 2.685 2.706 . 0 0 "[ . 1]" 1
213 1 14 ASN HA 1 14 ASN HB3 2.900 . 6.500 2.948 2.944 2.953 . 0 0 "[ . 1]" 1
214 1 14 ASN HA 1 14 ASN HD22 3.000 . 4.000 3.426 3.406 3.452 . 0 0 "[ . 1]" 1
215 1 14 ASN HA 1 15 GLY H 3.000 . 5.500 3.300 3.089 3.357 . 0 0 "[ . 1]" 1
216 1 14 ASN QB 1 14 ASN HD21 3.000 . 4.000 2.427 2.402 2.444 . 0 0 "[ . 1]" 1
217 1 14 ASN QB 1 15 GLY H 3.300 . 5.500 3.357 3.243 3.652 . 0 0 "[ . 1]" 1
218 1 14 ASN QB 1 16 GLU H 3.300 . 5.500 3.036 2.799 3.358 . 0 0 "[ . 1]" 1
219 1 14 ASN HB2 1 14 ASN HD21 3.100 . 4.000 2.471 2.443 2.491 . 0 0 "[ . 1]" 1
220 1 14 ASN HB2 1 14 ASN HD22 3.400 . 5.500 3.584 3.571 3.592 . 0 0 "[ . 1]" 1
221 1 14 ASN HB2 1 15 GLY H 2.900 . 5.500 4.014 3.905 4.294 . 0 0 "[ . 1]" 1
222 1 14 ASN HB2 1 16 GLU H 2.800 . 5.500 4.246 4.150 4.410 . 0 0 "[ . 1]" 1
223 1 14 ASN HB3 1 14 ASN HD21 3.100 . 6.500 3.549 3.545 3.551 . 0 0 "[ . 1]" 1
224 1 14 ASN HB3 1 14 ASN HD22 3.500 . 6.500 4.102 4.099 4.103 . 0 0 "[ . 1]" 1
225 1 15 GLY H 1 15 GLY HA2 3.000 . 5.500 2.407 2.349 2.421 . 0 0 "[ . 1]" 1
226 1 15 GLY H 1 15 GLY HA3 2.900 . 5.500 2.946 2.917 2.952 . 0 0 "[ . 1]" 1
227 1 15 GLY H 1 16 GLU H 2.400 . 5.500 2.443 2.127 2.686 . 0 0 "[ . 1]" 1
228 1 15 GLY HA2 1 16 GLU H 3.500 . 6.500 3.353 3.133 3.488 . 0 0 "[ . 1]" 1
229 1 15 GLY HA3 1 16 GLU H 3.500 . 5.500 3.204 3.028 3.421 . 0 0 "[ . 1]" 1
230 1 16 GLU H 1 16 GLU HA 3.000 . 5.500 2.834 2.830 2.844 . 0 0 "[ . 1]" 1
231 1 16 GLU H 1 16 GLU QB 2.100 . 5.500 2.589 2.468 2.675 . 0 0 "[ . 1]" 1
232 1 16 GLU H 1 16 GLU HB3 2.900 . 6.500 3.296 2.551 3.598 . 0 0 "[ . 1]" 1
233 1 16 GLU H 1 16 GLU HG2 3.300 . 6.500 2.364 1.942 3.028 . 0 0 "[ . 1]" 1
234 1 16 GLU H 1 16 GLU QG 2.700 . 5.500 2.030 1.930 2.260 . 0 0 "[ . 1]" 1
235 1 16 GLU H 1 16 GLU HG3 3.400 . 6.500 2.703 1.985 3.351 . 0 0 "[ . 1]" 1
236 1 16 GLU H 1 17 THR H 3.100 . 5.500 4.521 4.370 4.650 . 0 0 "[ . 1]" 1
237 1 16 GLU H 1 17 THR HA 3.500 . 6.500 5.389 5.315 5.452 . 0 0 "[ . 1]" 1
238 1 16 GLU HA 1 16 GLU HB3 2.500 . 6.500 2.402 2.352 2.466 . 0 0 "[ . 1]" 1
239 1 16 GLU HA 1 16 GLU HG2 2.900 . 6.500 2.984 2.595 3.789 . 0 0 "[ . 1]" 1
240 1 16 GLU HA 1 17 THR H 2.200 . 5.500 2.444 2.151 2.781 . 0 0 "[ . 1]" 1
241 1 16 GLU QB 1 17 THR H 2.500 . 5.500 2.599 1.939 3.511 . 0 0 "[ . 1]" 1
242 1 16 GLU HB3 1 16 GLU HG2 2.700 . 6.500 2.632 2.407 2.924 . 0 0 "[ . 1]" 1
243 1 16 GLU HB3 1 16 GLU HG3 2.600 . 6.500 2.924 2.718 3.009 . 0 0 "[ . 1]" 1
244 1 16 GLU HB3 1 17 THR H 3.300 . 6.500 3.018 1.987 4.154 . 0 0 "[ . 1]" 1
245 1 16 GLU HB3 1 18 LYS QE 3.400 . 6.500 3.628 3.216 4.475 . 0 0 "[ . 1]" 1
246 1 16 GLU QG 1 17 THR H 3.900 . 5.500 4.104 3.558 4.471 . 0 0 "[ . 1]" 1
247 1 17 THR H 1 17 THR HA 2.700 . 5.500 2.900 2.858 2.939 . 0 0 "[ . 1]" 1
248 1 17 THR H 1 17 THR HB 2.600 . 5.500 2.996 2.490 3.620 . 0 0 "[ . 1]" 1
249 1 17 THR H 1 17 THR MG 2.900 . 5.500 3.519 2.106 4.057 . 0 0 "[ . 1]" 1
250 1 17 THR HA 1 17 THR MG 2.700 . 6.500 2.507 2.027 3.216 . 0 0 "[ . 1]" 1
251 1 17 THR HA 1 18 LYS H 2.400 . 5.500 2.237 2.162 2.355 . 0 0 "[ . 1]" 1
252 1 17 THR HA 1 18 LYS HB3 3.200 . 6.500 5.453 5.301 5.582 . 0 0 "[ . 1]" 1
253 1 17 THR HA 1 18 LYS QD 3.500 . 6.500 5.282 4.969 5.820 . 0 0 "[ . 1]" 1
254 1 17 THR HB 1 18 LYS H 3.300 . 5.500 4.390 4.137 4.508 . 0 0 "[ . 1]" 1
255 1 18 LYS H 1 18 LYS QB 2.900 . 5.500 2.633 2.609 2.661 . 0 0 "[ . 1]" 1
256 1 18 LYS H 1 18 LYS HG2 2.500 . 5.500 5.014 4.979 5.038 . 0 0 "[ . 1]" 1
257 1 18 LYS HB3 1 18 LYS HG3 3.000 . 6.500 2.538 2.441 2.827 . 0 0 "[ . 1]" 1
258 1 18 LYS HB3 1 19 THR H 3.200 . 6.500 1.952 1.914 1.973 . 0 0 "[ . 1]" 1
259 1 18 LYS HD2 1 19 THR H 3.900 . 6.500 4.658 4.563 4.809 . 0 0 "[ . 1]" 1
260 1 18 LYS QE 1 18 LYS HG2 2.900 . 6.500 2.873 2.437 3.422 . 0 0 "[ . 1]" 1
261 1 18 LYS QE 1 18 LYS QG 3.000 . 4.000 2.601 2.323 2.883 . 0 0 "[ . 1]" 1
262 1 18 LYS QE 1 18 LYS HG3 3.100 . 6.500 3.232 2.373 3.494 . 0 0 "[ . 1]" 1
263 1 19 THR H 1 19 THR MG 3.000 . 6.500 2.017 1.903 2.160 . 0 0 "[ . 1]" 1
264 1 19 THR HA 1 19 THR MG 3.000 . 6.500 2.389 2.267 2.493 . 0 0 "[ . 1]" 1
265 1 19 THR HA 1 20 TRP H 2.900 . 6.500 2.093 2.079 2.110 . 0 0 "[ . 1]" 1
266 1 19 THR HB 1 20 TRP H 3.000 . 5.500 3.387 3.257 3.523 . 0 0 "[ . 1]" 1
267 1 19 THR HB 1 45 ILE MD 3.300 . 6.500 5.428 5.419 5.440 . 0 0 "[ . 1]" 1
268 1 19 THR MG 1 20 TRP H 3.300 . 6.500 4.091 3.961 4.224 . 0 0 "[ . 1]" 1
269 1 19 THR MG 1 20 TRP QB 4.000 . 6.500 5.084 5.072 5.099 . 0 0 "[ . 1]" 1
270 1 19 THR MG 1 45 ILE MD 2.600 . 6.500 4.260 4.090 4.504 . 0 0 "[ . 1]" 1
271 1 20 TRP H 1 20 TRP HA 3.000 . 5.500 2.901 2.896 2.907 . 0 0 "[ . 1]" 1
272 1 20 TRP H 1 20 TRP HB2 3.600 . 5.500 3.124 2.912 3.318 . 0 0 "[ . 1]" 1
273 1 20 TRP H 1 20 TRP HB3 3.700 . 6.500 2.795 2.685 2.930 . 0 0 "[ . 1]" 1
274 1 20 TRP HA 1 20 TRP HD1 3.200 . 4.000 3.299 2.995 3.566 . 0 0 "[ . 1]" 1
275 1 20 TRP QB 1 20 TRP HE3 3.000 . 4.000 2.544 2.452 2.635 . 0 0 "[ . 1]" 1
276 1 20 TRP HB2 1 20 TRP HD1 3.900 . 6.500 2.671 2.616 2.753 . 0 0 "[ . 1]" 1
277 1 20 TRP HB2 1 20 TRP HE3 3.000 . 4.000 4.080 4.030 4.113 0.113 3 0 "[ . 1]" 1
278 1 20 TRP HB2 1 20 TRP HZ2 3.500 . 6.500 6.490 6.474 6.505 0.005 3 0 "[ . 1]" 1
279 1 20 TRP HB3 1 20 TRP HD1 3.900 . 6.500 3.798 3.740 3.858 . 0 0 "[ . 1]" 1
280 1 20 TRP HB3 1 20 TRP HE3 3.400 . 6.500 2.570 2.473 2.667 . 0 0 "[ . 1]" 1
281 1 20 TRP HB3 1 27 PRO HG2 3.800 . 6.500 5.912 5.653 6.237 . 0 0 "[ . 1]" 1
282 1 20 TRP HD1 1 23 GLN H 3.300 . 5.500 3.787 3.231 4.973 . 0 0 "[ . 1]" 1
283 1 20 TRP HD1 1 27 PRO HD2 4.000 . 6.000 5.894 5.478 6.044 0.044 9 0 "[ . 1]" 1
284 1 20 TRP HE1 1 23 GLN H 3.100 . 5.500 2.654 2.126 3.470 . 0 0 "[ . 1]" 1
285 1 20 TRP HE3 1 30 ILE MD 3.200 . 4.000 3.253 2.988 3.358 . 0 0 "[ . 1]" 1
286 1 20 TRP HE3 1 40 LEU MD1 4.000 . 6.000 2.425 1.898 3.689 . 0 0 "[ . 1]" 1
287 1 20 TRP HH2 1 26 THR MG 3.000 . 4.000 2.605 2.122 3.218 . 0 0 "[ . 1]" 1
288 1 20 TRP HH2 1 40 LEU MD1 3.500 . 6.000 4.735 3.647 5.010 . 0 0 "[ . 1]" 1
289 1 20 TRP HZ2 1 26 THR MG 3.300 . 6.500 3.228 2.919 3.497 . 0 0 "[ . 1]" 1
290 1 20 TRP HZ3 1 26 THR MG 4.000 . 6.000 4.364 3.663 5.022 . 0 0 "[ . 1]" 1
291 1 20 TRP HZ3 1 30 ILE MD 3.000 . 4.000 3.233 2.566 3.359 . 0 0 "[ . 1]" 1
292 1 20 TRP HZ3 1 30 ILE MG 3.000 . 4.000 1.850 1.701 2.108 0.099 6 0 "[ . 1]" 1
293 1 20 TRP HZ3 1 40 LEU MD1 2.800 . 6.500 2.729 1.863 3.150 . 0 0 "[ . 1]" 1
294 1 21 THR HA 1 39 SER HA 3.200 . 6.500 5.359 4.388 5.910 . 0 0 "[ . 1]" 1
295 1 21 THR HB 1 40 LEU HG 3.300 . 6.500 5.789 4.408 6.520 0.020 8 0 "[ . 1]" 1
296 1 22 GLY H 1 34 LEU QD 3.500 . 6.500 4.847 4.833 4.859 . 0 0 "[ . 1]" 1
297 1 22 GLY QA 1 23 GLN H 3.100 . 5.500 2.444 2.261 2.596 . 0 0 "[ . 1]" 1
298 1 22 GLY QA 1 23 GLN HB2 3.000 . 5.500 4.539 4.280 4.815 . 0 0 "[ . 1]" 1
299 1 22 GLY QA 1 26 THR MG 3.300 . 6.500 4.837 4.825 4.847 . 0 0 "[ . 1]" 1
300 1 22 GLY QA 1 39 SER HA 3.400 . 6.500 5.843 5.825 5.879 . 0 0 "[ . 1]" 1
301 1 23 GLN H 1 23 GLN HB2 2.600 . 5.500 2.416 2.195 2.687 . 0 0 "[ . 1]" 1
302 1 23 GLN H 1 23 GLN QB 2.700 . 5.500 2.283 2.144 2.487 . 0 0 "[ . 1]" 1
303 1 23 GLN H 1 23 GLN QG 3.400 . 6.500 3.696 2.309 4.127 . 0 0 "[ . 1]" 1
304 1 23 GLN H 1 24 GLY HA3 3.000 . 5.500 5.552 5.433 5.755 0.255 9 0 "[ . 1]" 1
305 1 23 GLN HA 1 23 GLN QG 2.900 . 6.500 2.306 2.095 2.604 . 0 0 "[ . 1]" 1
306 1 23 GLN HA 1 24 GLY H 3.000 . 5.500 3.258 2.616 3.553 . 0 0 "[ . 1]" 1
307 1 23 GLN QB 1 24 GLY H 3.200 . 5.500 2.263 1.734 3.958 0.066 4 0 "[ . 1]" 1
308 1 23 GLN HB2 1 24 GLY H 3.200 . 5.500 3.395 2.076 4.623 . 0 0 "[ . 1]" 1
309 1 23 GLN HE22 1 23 GLN QG 3.500 . 6.500 3.293 3.218 3.452 . 0 0 "[ . 1]" 1
310 1 23 GLN QG 1 24 GLY H 3.700 . 6.500 3.325 1.964 4.532 . 0 0 "[ . 1]" 1
311 1 24 GLY HA2 1 25 ARG H 2.900 . 5.500 3.530 3.429 3.571 . 0 0 "[ . 1]" 1
312 1 24 GLY HA3 1 25 ARG H 2.800 . 5.500 2.494 2.198 2.821 . 0 0 "[ . 1]" 1
313 1 24 GLY HA3 1 25 ARG QB 3.500 . 6.500 4.343 4.146 4.444 . 0 0 "[ . 1]" 1
314 1 25 ARG H 1 25 ARG HA 2.700 . 5.500 2.824 2.731 2.904 . 0 0 "[ . 1]" 1
315 1 25 ARG H 1 25 ARG QD 3.500 . 5.500 3.490 2.386 4.193 . 0 0 "[ . 1]" 1
316 1 25 ARG H 1 25 ARG QG 2.100 . 5.500 2.986 2.430 4.028 . 0 0 "[ . 1]" 1
317 1 25 ARG HA 1 25 ARG QD 3.100 . 6.500 3.901 1.950 4.681 . 0 0 "[ . 1]" 1
318 1 25 ARG HA 1 25 ARG HG2 3.300 . 6.500 3.659 3.570 3.810 . 0 0 "[ . 1]" 1
319 1 25 ARG HA 1 25 ARG HG3 2.500 . 6.500 3.776 3.195 4.224 . 0 0 "[ . 1]" 1
320 1 25 ARG HA 1 26 THR H 2.400 . 5.500 2.201 2.136 2.315 . 0 0 "[ . 1]" 1
321 1 25 ARG QB 1 26 THR H 3.000 . 6.500 3.270 3.017 3.380 . 0 0 "[ . 1]" 1
322 1 25 ARG QD 1 25 ARG HG3 2.400 . 6.500 2.268 2.146 2.474 . 0 0 "[ . 1]" 1
323 1 25 ARG QD 1 26 THR H 3.400 . 6.500 4.727 1.868 5.695 . 0 0 "[ . 1]" 1
324 1 25 ARG QG 1 26 THR H 2.600 . 5.500 3.529 2.216 3.942 . 0 0 "[ . 1]" 1
325 1 25 ARG QG 1 27 PRO HA 3.000 . 5.500 4.079 3.268 4.403 . 0 0 "[ . 1]" 1
326 1 25 ARG QG 1 27 PRO HB2 2.500 . 6.000 5.425 5.397 5.476 . 0 0 "[ . 1]" 1
327 1 25 ARG HG2 1 26 THR H 3.500 . 6.500 4.213 3.624 4.578 . 0 0 "[ . 1]" 1
328 1 26 THR H 1 26 THR HA 2.900 . 5.500 2.935 2.927 2.941 . 0 0 "[ . 1]" 1
329 1 26 THR H 1 26 THR HB 2.900 . 5.500 3.084 3.005 3.180 . 0 0 "[ . 1]" 1
330 1 26 THR H 1 26 THR MG 2.900 . 5.500 3.763 3.660 3.844 . 0 0 "[ . 1]" 1
331 1 26 THR H 1 28 LYS QD 3.000 . 6.500 5.832 5.805 5.847 . 0 0 "[ . 1]" 1
332 1 26 THR H 1 31 ALA HA 3.500 . 6.500 6.059 5.662 6.423 . 0 0 "[ . 1]" 1
333 1 26 THR HA 1 26 THR MG 3.200 . 4.000 2.144 2.040 2.228 . 0 0 "[ . 1]" 1
334 1 26 THR HA 1 27 PRO HD2 3.300 . 6.000 1.846 1.834 1.866 . 0 0 "[ . 1]" 1
335 1 26 THR HB 1 31 ALA MB 3.100 . 5.500 2.314 2.121 2.608 . 0 0 "[ . 1]" 1
336 1 26 THR MG 1 27 PRO HG3 2.900 . 6.500 5.435 5.412 5.457 . 0 0 "[ . 1]" 1
337 1 26 THR MG 1 30 ILE MG 2.800 . 6.500 3.009 2.323 3.638 . 0 0 "[ . 1]" 1
338 1 26 THR MG 1 31 ALA H 2.400 . 6.000 3.720 3.540 4.100 . 0 0 "[ . 1]" 1
339 1 26 THR MG 1 31 ALA HA 3.000 . 4.000 2.086 1.817 2.391 . 0 0 "[ . 1]" 1
340 1 26 THR MG 1 31 ALA MB 3.000 . 5.500 2.743 2.408 2.991 . 0 0 "[ . 1]" 1
341 1 27 PRO HA 1 27 PRO QG 3.000 . 5.500 3.415 3.347 3.445 . 0 0 "[ . 1]" 1
342 1 27 PRO HB2 1 29 PRO HD2 4.100 . 6.500 2.449 1.974 2.691 . 0 0 "[ . 1]" 1
343 1 27 PRO HB2 1 29 PRO QD 3.200 . 6.500 2.431 1.966 2.668 . 0 0 "[ . 1]" 1
344 1 27 PRO HB2 1 29 PRO HD3 3.900 . 6.500 4.137 3.668 4.385 . 0 0 "[ . 1]" 1
345 1 27 PRO HB3 1 27 PRO HD2 3.500 . 6.500 3.994 3.960 4.057 . 0 0 "[ . 1]" 1
346 1 27 PRO HB3 1 29 PRO HD2 3.600 . 6.500 3.315 3.089 3.405 . 0 0 "[ . 1]" 1
347 1 27 PRO HB3 1 29 PRO HD3 3.100 . 6.500 4.923 4.375 5.059 . 0 0 "[ . 1]" 1
348 1 27 PRO HG2 1 31 ALA MB 3.000 . 6.500 5.011 4.647 5.416 . 0 0 "[ . 1]" 1
349 1 28 LYS H 1 28 LYS QB 2.500 . 5.500 2.470 2.270 2.736 . 0 0 "[ . 1]" 1
350 1 28 LYS H 1 28 LYS QD 3.800 . 6.500 1.975 1.871 2.177 . 0 0 "[ . 1]" 1
351 1 28 LYS H 1 28 LYS QG 3.300 . 5.500 2.830 1.973 3.399 . 0 0 "[ . 1]" 1
352 1 28 LYS H 1 29 PRO HD2 3.200 . 5.500 2.437 2.365 2.867 . 0 0 "[ . 1]" 1
353 1 28 LYS HA 1 28 LYS QB 2.600 . 6.500 2.394 2.283 2.477 . 0 0 "[ . 1]" 1
354 1 28 LYS HA 1 31 ALA H 3.400 . 5.500 3.781 3.665 3.889 . 0 0 "[ . 1]" 1
355 1 28 LYS HA 1 31 ALA MB 2.800 . 6.500 2.448 2.331 2.575 . 0 0 "[ . 1]" 1
356 1 28 LYS QB 1 29 PRO HD2 3.400 . 6.500 2.589 2.397 3.189 . 0 0 "[ . 1]" 1
357 1 28 LYS QB 1 29 PRO HD3 2.800 . 6.500 2.000 1.838 2.134 . 0 0 "[ . 1]" 1
358 1 28 LYS HG2 1 29 PRO HD3 3.400 . 6.500 4.045 3.583 4.435 . 0 0 "[ . 1]" 1
359 1 29 PRO HA 1 29 PRO HB3 2.600 . 6.500 2.280 2.274 2.284 . 0 0 "[ . 1]" 1
360 1 29 PRO HA 1 32 GLN HB2 3.200 . 6.500 4.281 4.015 4.473 . 0 0 "[ . 1]" 1
361 1 29 PRO HA 1 32 GLN HB3 2.800 . 6.500 4.142 3.667 5.521 . 0 0 "[ . 1]" 1
362 1 29 PRO HA 1 32 GLN HG2 3.800 . 6.500 6.229 5.164 6.504 0.004 7 0 "[ . 1]" 1
363 1 29 PRO HA 1 32 GLN HG3 3.800 . 6.500 5.650 3.833 6.279 . 0 0 "[ . 1]" 1
364 1 29 PRO QB 1 29 PRO HD3 3.700 . 6.500 2.951 2.878 3.534 . 0 0 "[ . 1]" 1
365 1 29 PRO QB 1 30 ILE H 4.100 . 6.500 2.528 2.190 2.649 . 0 0 "[ . 1]" 1
366 1 29 PRO QB 1 30 ILE HA 4.000 . 6.500 3.770 3.707 3.800 . 0 0 "[ . 1]" 1
367 1 29 PRO HB2 1 29 PRO HD3 3.800 . 6.500 3.900 3.894 3.917 . 0 0 "[ . 1]" 1
368 1 29 PRO HB2 1 30 ILE H 4.000 . 6.500 2.570 2.206 2.702 . 0 0 "[ . 1]" 1
369 1 29 PRO HB2 1 32 GLN QB 3.500 . 6.500 5.399 5.229 5.611 . 0 0 "[ . 1]" 1
370 1 29 PRO HB2 1 32 GLN HE22 3.700 . 6.500 6.503 6.498 6.510 0.010 9 0 "[ . 1]" 1
371 1 29 PRO HD2 1 30 ILE H 3.100 . 5.500 3.068 2.579 3.283 . 0 0 "[ . 1]" 1
372 1 30 ILE H 1 30 ILE HB 3.300 . 5.500 2.588 2.478 2.660 . 0 0 "[ . 1]" 1
373 1 30 ILE H 1 30 ILE HG12 3.200 . 5.500 2.001 1.907 2.145 . 0 0 "[ . 1]" 1
374 1 30 ILE H 1 30 ILE QG 3.100 . 5.500 1.980 1.895 2.122 . 0 0 "[ . 1]" 1
375 1 30 ILE H 1 31 ALA H 2.900 . 5.500 2.660 2.634 2.684 . 0 0 "[ . 1]" 1
376 1 30 ILE H 1 32 GLN H 3.100 . 5.500 4.461 4.394 4.522 . 0 0 "[ . 1]" 1
377 1 30 ILE H 1 33 ALA H 3.300 . 5.500 5.008 4.882 5.066 . 0 0 "[ . 1]" 1
378 1 30 ILE HA 1 30 ILE HG12 3.000 . 5.500 2.745 2.673 2.873 . 0 0 "[ . 1]" 1
379 1 30 ILE HA 1 30 ILE MG 2.900 . 4.000 2.282 2.240 2.371 . 0 0 "[ . 1]" 1
380 1 30 ILE HA 1 31 ALA H 3.100 . 5.500 3.498 3.494 3.503 . 0 0 "[ . 1]" 1
381 1 30 ILE HA 1 32 GLN H 3.400 . 5.500 4.247 4.114 4.384 . 0 0 "[ . 1]" 1
382 1 30 ILE HA 1 33 ALA H 3.200 . 5.500 3.221 3.063 3.296 . 0 0 "[ . 1]" 1
383 1 30 ILE HA 1 33 ALA MB 3.200 . 6.500 2.504 2.185 2.719 . 0 0 "[ . 1]" 1
384 1 30 ILE HB 1 30 ILE MD 3.300 . 6.500 3.173 3.118 3.218 . 0 0 "[ . 1]" 1
385 1 30 ILE HB 1 31 ALA H 2.500 . 5.500 2.829 2.781 2.865 . 0 0 "[ . 1]" 1
386 1 30 ILE MD 1 43 PHE QD 4.000 . 6.000 2.293 1.936 2.850 . 0 0 "[ . 1]" 1
387 1 30 ILE MD 1 43 PHE QE 4.000 . 6.000 2.989 2.436 3.300 . 0 0 "[ . 1]" 1
388 1 30 ILE QG 1 31 ALA H 3.400 . 5.500 3.980 3.930 4.106 . 0 0 "[ . 1]" 1
389 1 30 ILE QG 1 43 PHE QD 4.000 . 6.000 4.303 3.895 4.763 . 0 0 "[ . 1]" 1
390 1 30 ILE HG12 1 30 ILE MG 3.000 . 5.500 3.149 3.106 3.179 . 0 0 "[ . 1]" 1
391 1 30 ILE HG12 1 43 PHE QD 4.000 . 6.000 4.622 4.084 5.226 . 0 0 "[ . 1]" 1
392 1 30 ILE HG12 1 43 PHE QE 4.000 . 6.000 4.839 4.526 5.351 . 0 0 "[ . 1]" 1
393 1 30 ILE MG 1 31 ALA H 2.800 . 5.500 3.704 3.614 3.751 . 0 0 "[ . 1]" 1
394 1 30 ILE MG 1 31 ALA MB 3.400 . 6.500 4.464 4.345 4.516 . 0 0 "[ . 1]" 1
395 1 30 ILE MG 1 34 LEU H 3.100 . 6.000 3.243 2.870 3.720 . 0 0 "[ . 1]" 1
396 1 30 ILE MG 1 34 LEU HG 3.400 . 6.500 2.415 1.843 3.328 . 0 0 "[ . 1]" 1
397 1 30 ILE MG 1 40 LEU MD1 2.500 . 6.500 2.384 1.774 3.327 0.026 6 0 "[ . 1]" 1
398 1 30 ILE MG 1 40 LEU MD2 2.500 . 6.500 3.323 2.297 4.511 . 0 0 "[ . 1]" 1
399 1 30 ILE MG 1 43 PHE QD 4.000 . 6.000 3.707 2.727 4.391 . 0 0 "[ . 1]" 1
400 1 30 ILE MG 1 43 PHE QE 4.000 . 6.000 3.374 2.007 4.031 . 0 0 "[ . 1]" 1
401 1 31 ALA H 1 31 ALA MB 2.600 . 5.500 2.166 2.073 2.236 . 0 0 "[ . 1]" 1
402 1 31 ALA H 1 32 GLN H 2.500 . 5.500 2.789 2.762 2.819 . 0 0 "[ . 1]" 1
403 1 31 ALA H 1 32 GLN HB2 3.400 . 5.500 5.231 5.094 5.343 . 0 0 "[ . 1]" 1
404 1 31 ALA HA 1 32 GLN H 2.800 . 5.500 3.544 3.531 3.556 . 0 0 "[ . 1]" 1
405 1 31 ALA HA 1 32 GLN HB2 3.500 . 6.500 5.895 5.870 5.939 . 0 0 "[ . 1]" 1
406 1 31 ALA HA 1 34 LEU H 3.500 . 5.500 3.538 3.386 3.659 . 0 0 "[ . 1]" 1
407 1 31 ALA HA 1 34 LEU QD 2.900 . 6.500 3.628 1.943 4.111 . 0 0 "[ . 1]" 1
408 1 31 ALA HA 1 34 LEU HG 3.200 . 6.500 4.637 3.456 5.126 . 0 0 "[ . 1]" 1
409 1 31 ALA HA 1 35 ALA H 3.300 . 5.500 3.681 3.455 4.250 . 0 0 "[ . 1]" 1
410 1 31 ALA MB 1 32 GLN H 2.800 . 5.500 2.565 2.476 2.658 . 0 0 "[ . 1]" 1
411 1 31 ALA MB 1 32 GLN HA 2.600 . 5.500 3.795 3.757 3.830 . 0 0 "[ . 1]" 1
412 1 32 GLN H 1 32 GLN HA 2.800 . 5.500 2.821 2.802 2.842 . 0 0 "[ . 1]" 1
413 1 32 GLN H 1 32 GLN HB2 2.300 . 5.500 2.597 2.533 2.701 . 0 0 "[ . 1]" 1
414 1 32 GLN H 1 32 GLN QB 2.100 . 5.500 2.301 2.207 2.552 . 0 0 "[ . 1]" 1
415 1 32 GLN H 1 32 GLN HB3 3.000 . 6.500 2.682 2.341 3.599 . 0 0 "[ . 1]" 1
416 1 32 GLN H 1 32 GLN HE21 3.400 . 5.500 4.270 3.753 4.671 . 0 0 "[ . 1]" 1
417 1 32 GLN H 1 32 GLN HG2 3.000 . 6.500 4.211 3.471 4.410 . 0 0 "[ . 1]" 1
418 1 32 GLN H 1 32 GLN QG 2.500 . 5.500 3.588 1.987 4.001 . 0 0 "[ . 1]" 1
419 1 32 GLN H 1 32 GLN HG3 3.300 . 6.500 4.055 1.999 4.626 . 0 0 "[ . 1]" 1
420 1 32 GLN H 1 33 ALA H 2.400 . 5.500 2.637 2.538 2.689 . 0 0 "[ . 1]" 1
421 1 32 GLN H 1 33 ALA HA 2.800 . 5.500 5.255 5.175 5.300 . 0 0 "[ . 1]" 1
422 1 32 GLN H 1 33 ALA MB 3.100 . 5.500 4.288 4.188 4.361 . 0 0 "[ . 1]" 1
423 1 32 GLN HA 1 32 GLN HB2 2.700 . 6.500 2.550 2.383 3.022 . 0 0 "[ . 1]" 1
424 1 32 GLN HA 1 32 GLN HB3 2.700 . 6.500 2.904 2.414 3.027 . 0 0 "[ . 1]" 1
425 1 32 GLN HA 1 32 GLN HG2 3.100 . 6.500 2.723 2.440 2.852 . 0 0 "[ . 1]" 1
426 1 32 GLN HA 1 32 GLN HG3 2.900 . 6.500 3.077 2.916 3.442 . 0 0 "[ . 1]" 1
427 1 32 GLN HA 1 33 ALA H 3.400 . 5.500 3.537 3.505 3.552 . 0 0 "[ . 1]" 1
428 1 32 GLN HA 1 34 LEU H 3.200 . 5.500 4.618 4.392 4.734 . 0 0 "[ . 1]" 1
429 1 32 GLN HA 1 35 ALA H 3.200 . 5.500 3.561 3.388 3.722 . 0 0 "[ . 1]" 1
430 1 32 GLN HA 1 35 ALA MB 2.700 . 5.500 2.422 2.232 2.601 . 0 0 "[ . 1]" 1
431 1 32 GLN QB 1 33 ALA H 2.900 . 5.500 2.549 2.463 2.688 . 0 0 "[ . 1]" 1
432 1 32 GLN HB2 1 33 ALA H 3.300 . 5.500 3.636 2.513 3.950 . 0 0 "[ . 1]" 1
433 1 32 GLN HE21 1 32 GLN HG2 3.500 . 6.500 2.798 2.668 3.546 . 0 0 "[ . 1]" 1
434 1 32 GLN HE21 1 32 GLN HG3 3.400 . 6.500 3.454 2.678 3.548 . 0 0 "[ . 1]" 1
435 1 32 GLN HE21 1 36 GLU HG2 4.000 . 6.000 5.597 5.148 6.007 0.007 2 0 "[ . 1]" 1
436 1 32 GLN HE22 1 32 GLN HG2 4.000 . 6.500 3.728 3.665 4.095 . 0 0 "[ . 1]" 1
437 1 32 GLN HE22 1 32 GLN QG 3.100 . 5.500 3.432 3.421 3.454 . 0 0 "[ . 1]" 1
438 1 32 GLN HE22 1 32 GLN HG3 3.800 . 6.500 4.051 3.670 4.098 . 0 0 "[ . 1]" 1
439 1 33 ALA H 1 33 ALA HA 2.900 . 5.500 2.831 2.809 2.846 . 0 0 "[ . 1]" 1
440 1 33 ALA H 1 33 ALA MB 2.400 . 5.500 2.169 2.051 2.238 . 0 0 "[ . 1]" 1
441 1 33 ALA H 1 34 LEU H 2.600 . 5.500 2.668 2.607 2.779 . 0 0 "[ . 1]" 1
442 1 33 ALA H 1 34 LEU HG 2.300 . 5.500 5.482 5.156 5.538 0.038 5 0 "[ . 1]" 1
443 1 33 ALA H 1 35 ALA MB 3.200 . 6.000 4.543 4.434 4.703 . 0 0 "[ . 1]" 1
444 1 33 ALA HA 1 33 ALA MB 2.400 . 6.500 2.113 2.086 2.127 . 0 0 "[ . 1]" 1
445 1 33 ALA HA 1 34 LEU H 3.100 . 6.500 3.549 3.522 3.567 . 0 0 "[ . 1]" 1
446 1 33 ALA HA 1 36 GLU H 3.300 . 6.500 3.724 3.621 3.797 . 0 0 "[ . 1]" 1
447 1 33 ALA HA 1 36 GLU HB2 2.900 . 6.500 3.348 3.029 3.678 . 0 0 "[ . 1]" 1
448 1 33 ALA HA 1 36 GLU HG2 3.000 . 6.500 3.864 3.466 4.876 . 0 0 "[ . 1]" 1
449 1 33 ALA HA 1 36 GLU HG3 3.400 . 6.500 3.609 2.648 5.444 . 0 0 "[ . 1]" 1
450 1 33 ALA MB 1 34 LEU H 2.900 . 6.500 2.494 2.385 2.715 . 0 0 "[ . 1]" 1
451 1 33 ALA MB 1 34 LEU QD 3.100 . 6.500 3.520 2.090 4.017 . 0 0 "[ . 1]" 1
452 1 33 ALA MB 1 38 LYS HB3 3.300 . 6.500 4.644 2.888 5.083 . 0 0 "[ . 1]" 1
453 1 33 ALA MB 1 43 PHE QD 4.000 . 6.000 3.597 3.434 3.905 . 0 0 "[ . 1]" 1
454 1 33 ALA MB 1 43 PHE QE 2.900 . 6.500 1.925 1.834 2.301 . 0 0 "[ . 1]" 1
455 1 34 LEU H 1 34 LEU HA 2.900 . 5.500 2.845 2.831 2.857 . 0 0 "[ . 1]" 1
456 1 34 LEU H 1 34 LEU HB2 3.300 . 5.500 2.207 2.105 2.559 . 0 0 "[ . 1]" 1
457 1 34 LEU H 1 34 LEU HB3 3.200 . 6.500 3.473 3.404 3.608 . 0 0 "[ . 1]" 1
458 1 34 LEU H 1 34 LEU QD 2.800 . 5.500 3.087 2.054 3.530 . 0 0 "[ . 1]" 1
459 1 34 LEU H 1 34 LEU HG 2.100 . 5.500 3.165 2.708 3.407 . 0 0 "[ . 1]" 1
460 1 34 LEU H 1 35 ALA H 2.500 . 5.500 2.525 2.449 2.584 . 0 0 "[ . 1]" 1
461 1 34 LEU H 1 36 GLU H 3.500 . 5.500 4.009 3.908 4.163 . 0 0 "[ . 1]" 1
462 1 34 LEU HA 1 34 LEU HB2 2.600 . 6.500 2.967 2.941 3.018 . 0 0 "[ . 1]" 1
463 1 34 LEU HA 1 34 LEU QD 2.400 . 6.500 2.048 1.824 3.054 . 0 0 "[ . 1]" 1
464 1 34 LEU HA 1 38 LYS H 2.900 . 5.500 3.517 3.335 3.635 . 0 0 "[ . 1]" 1
465 1 34 LEU HA 1 38 LYS HB2 3.800 . 6.500 4.413 3.987 5.803 . 0 0 "[ . 1]" 1
466 1 34 LEU HB2 1 34 LEU QD 2.800 . 6.500 2.346 1.945 2.600 . 0 0 "[ . 1]" 1
467 1 34 LEU HB3 1 35 ALA H 3.500 . 6.500 3.396 3.171 3.887 . 0 0 "[ . 1]" 1
468 1 34 LEU QD 1 35 ALA H 2.900 . 5.500 4.019 3.561 4.136 . 0 0 "[ . 1]" 1
469 1 34 LEU QD 1 39 SER HA 2.800 . 6.500 2.166 1.857 3.542 . 0 0 "[ . 1]" 1
470 1 34 LEU QD 1 40 LEU H 2.800 . 6.500 3.480 3.034 4.602 . 0 0 "[ . 1]" 1
471 1 34 LEU MD1 1 40 LEU HA 2.500 . 6.500 5.335 4.748 6.042 . 0 0 "[ . 1]" 1
472 1 35 ALA H 1 35 ALA HA 2.900 . 5.500 2.802 2.797 2.807 . 0 0 "[ . 1]" 1
473 1 35 ALA H 1 35 ALA MB 2.500 . 5.500 2.196 2.095 2.239 . 0 0 "[ . 1]" 1
474 1 35 ALA H 1 36 GLU H 2.400 . 5.500 2.645 2.619 2.660 . 0 0 "[ . 1]" 1
475 1 35 ALA H 1 38 LYS H 2.900 . 5.500 5.443 5.099 5.517 0.017 6 0 "[ . 1]" 1
476 1 35 ALA HA 1 35 ALA MB 2.300 . 4.000 2.121 2.102 2.130 . 0 0 "[ . 1]" 1
477 1 35 ALA HA 1 36 GLU H 3.400 . 5.500 3.473 3.447 3.493 . 0 0 "[ . 1]" 1
478 1 35 ALA MB 1 36 GLU H 2.600 . 5.500 2.852 2.775 2.932 . 0 0 "[ . 1]" 1
479 1 36 GLU H 1 36 GLU HA 2.700 . 5.500 2.866 2.856 2.912 . 0 0 "[ . 1]" 1
480 1 36 GLU H 1 36 GLU HB2 3.400 . 5.500 2.387 2.154 2.590 . 0 0 "[ . 1]" 1
481 1 36 GLU H 1 36 GLU HB3 3.300 . 6.500 3.571 3.461 3.656 . 0 0 "[ . 1]" 1
482 1 36 GLU H 1 36 GLU HG2 3.300 . 5.500 2.808 2.207 4.027 . 0 0 "[ . 1]" 1
483 1 36 GLU H 1 36 GLU QG 2.700 . 5.500 2.585 2.170 3.651 . 0 0 "[ . 1]" 1
484 1 36 GLU H 1 36 GLU HG3 3.100 . 6.500 3.516 2.474 4.178 . 0 0 "[ . 1]" 1
485 1 36 GLU H 1 38 LYS H 3.200 . 5.500 3.726 3.473 3.803 . 0 0 "[ . 1]" 1
486 1 36 GLU HA 1 36 GLU HG2 3.000 . 6.500 2.897 2.550 3.626 . 0 0 "[ . 1]" 1
487 1 36 GLU HA 1 36 GLU HG3 3.100 . 6.500 3.509 2.520 3.831 . 0 0 "[ . 1]" 1
488 1 36 GLU HB2 1 36 GLU HG3 2.900 . 6.500 2.431 2.225 3.009 . 0 0 "[ . 1]" 1
489 1 36 GLU HB2 1 37 GLY HA2 3.000 . 5.500 5.321 5.144 5.518 0.018 1 0 "[ . 1]" 1
490 1 36 GLU HB3 1 36 GLU HG3 3.000 . 6.500 2.585 2.388 2.968 . 0 0 "[ . 1]" 1
491 1 37 GLY H 1 37 GLY HA2 2.800 . 6.500 2.426 2.408 2.431 . 0 0 "[ . 1]" 1
492 1 37 GLY H 1 37 GLY HA3 3.000 . 6.500 2.951 2.946 2.952 . 0 0 "[ . 1]" 1
493 1 37 GLY H 1 38 LYS H 2.500 . 5.500 2.324 2.191 2.416 . 0 0 "[ . 1]" 1
494 1 37 GLY HA2 1 38 LYS H 2.700 . 5.500 3.357 3.282 3.409 . 0 0 "[ . 1]" 1
495 1 38 LYS H 1 38 LYS HA 3.000 . 5.500 2.911 2.909 2.913 . 0 0 "[ . 1]" 1
496 1 38 LYS H 1 38 LYS HB2 3.300 . 5.500 2.525 2.240 2.783 . 0 0 "[ . 1]" 1
497 1 38 LYS H 1 38 LYS QB 2.500 . 5.500 2.438 2.216 2.571 . 0 0 "[ . 1]" 1
498 1 38 LYS H 1 38 LYS HB3 3.400 . 6.500 3.512 2.448 3.662 . 0 0 "[ . 1]" 1
499 1 38 LYS H 1 38 LYS QD 3.900 . 6.500 3.479 1.947 4.416 . 0 0 "[ . 1]" 1
500 1 38 LYS H 1 39 SER H 3.100 . 5.500 4.570 4.475 4.585 . 0 0 "[ . 1]" 1
501 1 38 LYS HA 1 38 LYS HB2 2.600 . 6.500 2.959 2.439 3.026 . 0 0 "[ . 1]" 1
502 1 38 LYS HA 1 38 LYS HB3 2.700 . 6.500 2.523 2.391 3.025 . 0 0 "[ . 1]" 1
503 1 38 LYS HA 1 38 LYS QD 3.000 . 6.500 3.614 2.388 4.170 . 0 0 "[ . 1]" 1
504 1 38 LYS HA 1 38 LYS HG2 2.800 . 6.500 2.941 2.255 3.666 . 0 0 "[ . 1]" 1
505 1 38 LYS HA 1 39 SER H 2.500 . 5.500 2.271 2.144 2.377 . 0 0 "[ . 1]" 1
506 1 38 LYS QB 1 39 SER H 2.200 . 5.500 2.787 2.427 3.771 . 0 0 "[ . 1]" 1
507 1 38 LYS HB2 1 39 SER H 3.300 . 5.500 3.851 3.622 4.228 . 0 0 "[ . 1]" 1
508 1 38 LYS HB2 1 43 PHE QE 4.000 . 6.500 5.519 4.130 5.799 . 0 0 "[ . 1]" 1
509 1 38 LYS HB3 1 39 SER H 2.800 . 6.500 2.887 2.465 4.238 . 0 0 "[ . 1]" 1
510 1 38 LYS QD 1 39 SER H 3.800 . 6.500 4.626 3.629 5.310 . 0 0 "[ . 1]" 1
511 1 39 SER H 1 39 SER HA 2.500 . 5.500 2.922 2.916 2.948 . 0 0 "[ . 1]" 1
512 1 39 SER H 1 39 SER HB2 2.800 . 5.500 2.398 2.173 2.758 . 0 0 "[ . 1]" 1
513 1 39 SER H 1 39 SER HB3 2.800 . 6.500 3.112 2.719 3.747 . 0 0 "[ . 1]" 1
514 1 39 SER H 1 40 LEU H 3.100 . 5.500 4.458 4.306 4.534 . 0 0 "[ . 1]" 1
515 1 39 SER H 1 42 ASP HB2 3.200 . 5.500 4.940 4.627 5.092 . 0 0 "[ . 1]" 1
516 1 39 SER H 1 42 ASP QB 3.000 . 5.500 4.761 4.433 4.906 . 0 0 "[ . 1]" 1
517 1 39 SER HA 1 39 SER HB3 2.900 . 6.500 2.848 2.359 3.017 . 0 0 "[ . 1]" 1
518 1 39 SER HA 1 40 LEU H 2.200 . 5.500 2.643 2.526 2.834 . 0 0 "[ . 1]" 1
519 1 39 SER HA 1 41 ASP H 3.000 . 5.500 4.115 4.034 4.191 . 0 0 "[ . 1]" 1
520 1 39 SER HA 1 42 ASP H 3.300 . 5.500 5.355 5.255 5.517 0.017 7 0 "[ . 1]" 1
521 1 39 SER QB 1 40 LEU H 2.800 . 5.500 2.437 1.982 2.914 . 0 0 "[ . 1]" 1
522 1 39 SER QB 1 41 ASP H 2.900 . 5.500 2.306 2.201 2.370 . 0 0 "[ . 1]" 1
523 1 39 SER QB 1 42 ASP H 3.200 . 5.500 4.344 4.099 4.512 . 0 0 "[ . 1]" 1
524 1 39 SER HB2 1 40 LEU H 3.300 . 5.500 3.575 2.553 3.842 . 0 0 "[ . 1]" 1
525 1 39 SER HB2 1 41 ASP H 3.400 . 5.500 3.582 2.403 4.051 . 0 0 "[ . 1]" 1
526 1 39 SER HB3 1 40 LEU H 3.200 . 6.500 2.496 1.992 3.037 . 0 0 "[ . 1]" 1
527 1 39 SER HB3 1 41 ASP H 3.400 . 6.500 2.459 2.212 3.607 . 0 0 "[ . 1]" 1
528 1 40 LEU H 1 40 LEU HA 3.000 . 5.500 2.822 2.817 2.828 . 0 0 "[ . 1]" 1
529 1 40 LEU H 1 40 LEU HB2 3.100 . 6.500 2.244 2.108 2.513 . 0 0 "[ . 1]" 1
530 1 40 LEU H 1 40 LEU HB3 3.100 . 6.500 3.171 2.548 3.565 . 0 0 "[ . 1]" 1
531 1 40 LEU H 1 40 LEU MD1 3.400 . 5.500 3.516 2.275 4.046 . 0 0 "[ . 1]" 1
532 1 40 LEU H 1 40 LEU HG 2.000 . 5.500 4.210 3.526 4.572 . 0 0 "[ . 1]" 1
533 1 40 LEU H 1 41 ASP H 2.500 . 5.500 2.681 2.630 2.769 . 0 0 "[ . 1]" 1
534 1 40 LEU H 1 42 ASP H 3.200 . 5.500 4.602 4.521 4.695 . 0 0 "[ . 1]" 1
535 1 40 LEU HA 1 40 LEU MD1 2.700 . 6.500 2.057 1.882 3.227 . 0 0 "[ . 1]" 1
536 1 40 LEU HA 1 40 LEU HG 2.600 . 6.500 3.099 2.152 3.650 . 0 0 "[ . 1]" 1
537 1 40 LEU HA 1 41 ASP H 2.900 . 5.500 3.347 3.292 3.373 . 0 0 "[ . 1]" 1
538 1 40 LEU HA 1 42 ASP H 3.000 . 5.500 3.384 3.297 3.424 . 0 0 "[ . 1]" 1
539 1 40 LEU HA 1 43 PHE QD 2.800 . 6.000 3.441 2.088 4.368 . 0 0 "[ . 1]" 1
540 1 40 LEU HA 1 44 LEU H 3.400 . 6.500 4.950 4.743 5.044 . 0 0 "[ . 1]" 1
541 1 40 LEU HB2 1 40 LEU MD2 2.800 . 6.500 2.357 2.152 2.723 . 0 0 "[ . 1]" 1
542 1 40 LEU HB2 1 41 ASP HA 2.900 . 6.500 5.139 4.478 5.752 . 0 0 "[ . 1]" 1
543 1 40 LEU HB3 1 40 LEU MD2 2.600 . 6.500 2.629 2.111 3.180 . 0 0 "[ . 1]" 1
544 1 40 LEU MD1 1 40 LEU HG 2.300 . 6.500 2.093 2.080 2.124 . 0 0 "[ . 1]" 1
545 1 40 LEU MD1 1 41 ASP H 2.900 . 5.500 4.612 4.572 4.658 . 0 0 "[ . 1]" 1
546 1 40 LEU MD2 1 40 LEU HG 2.300 . 6.500 2.092 2.081 2.124 . 0 0 "[ . 1]" 1
547 1 40 LEU MD2 1 43 PHE QD 3.400 . 6.500 4.336 2.315 4.829 . 0 0 "[ . 1]" 1
548 1 40 LEU HG 1 41 ASP H 2.400 . 5.500 5.131 4.393 5.568 0.068 1 0 "[ . 1]" 1
549 1 41 ASP H 1 41 ASP HA 3.000 . 5.500 2.760 2.755 2.766 . 0 0 "[ . 1]" 1
550 1 41 ASP H 1 41 ASP HB2 3.100 . 5.500 2.599 2.216 3.591 . 0 0 "[ . 1]" 1
551 1 41 ASP H 1 41 ASP QB 2.500 . 5.500 2.360 2.154 2.597 . 0 0 "[ . 1]" 1
552 1 41 ASP H 1 41 ASP HB3 3.000 . 6.500 3.305 2.552 3.596 . 0 0 "[ . 1]" 1
553 1 41 ASP H 1 42 ASP H 2.500 . 5.500 2.760 2.730 2.777 . 0 0 "[ . 1]" 1
554 1 41 ASP HA 1 41 ASP HB2 2.900 . 6.500 2.867 2.483 3.024 . 0 0 "[ . 1]" 1
555 1 41 ASP HA 1 41 ASP HB3 2.800 . 6.500 2.590 2.373 2.998 . 0 0 "[ . 1]" 1
556 1 41 ASP HA 1 42 ASP H 3.300 . 5.500 3.459 3.455 3.463 . 0 0 "[ . 1]" 1
557 1 41 ASP HA 1 43 PHE H 3.200 . 6.500 4.293 4.196 4.428 . 0 0 "[ . 1]" 1
558 1 41 ASP HA 1 44 LEU H 3.300 . 5.500 3.537 3.323 4.055 . 0 0 "[ . 1]" 1
559 1 41 ASP HA 1 44 LEU MD1 3.300 . 6.500 4.508 4.356 4.669 . 0 0 "[ . 1]" 1
560 1 41 ASP HA 1 44 LEU MD2 2.800 . 6.500 2.134 1.970 2.516 . 0 0 "[ . 1]" 1
561 1 41 ASP HA 1 44 LEU HG 2.500 . 6.500 4.230 3.891 4.531 . 0 0 "[ . 1]" 1
562 1 41 ASP QB 1 44 LEU MD2 4.000 . 6.000 2.975 2.566 3.776 . 0 0 "[ . 1]" 1
563 1 41 ASP HB2 1 42 ASP H 3.400 . 6.500 3.345 3.029 3.973 . 0 0 "[ . 1]" 1
564 1 41 ASP HB2 1 44 LEU MD2 3.400 . 6.500 3.917 2.726 4.375 . 0 0 "[ . 1]" 1
565 1 41 ASP HB3 1 42 ASP H 3.300 . 6.500 3.806 3.037 4.218 . 0 0 "[ . 1]" 1
566 1 41 ASP HB3 1 44 LEU MD2 3.100 . 6.500 3.227 2.605 4.189 . 0 0 "[ . 1]" 1
567 1 42 ASP H 1 42 ASP HA 2.500 . 5.500 2.865 2.841 2.915 . 0 0 "[ . 1]" 1
568 1 42 ASP H 1 42 ASP HB2 3.000 . 5.500 2.310 2.172 2.498 . 0 0 "[ . 1]" 1
569 1 42 ASP H 1 42 ASP QB 2.100 . 5.500 2.212 2.142 2.289 . 0 0 "[ . 1]" 1
570 1 42 ASP H 1 42 ASP HB3 2.700 . 6.500 3.012 2.628 3.515 . 0 0 "[ . 1]" 1
571 1 42 ASP H 1 43 PHE H 2.300 . 5.500 2.463 2.215 2.594 . 0 0 "[ . 1]" 1
572 1 42 ASP H 1 44 LEU H 3.300 . 5.500 3.923 3.862 4.003 . 0 0 "[ . 1]" 1
573 1 42 ASP HA 1 42 ASP HB2 2.800 . 6.500 2.731 2.532 2.992 . 0 0 "[ . 1]" 1
574 1 42 ASP HA 1 43 PHE H 3.000 . 5.500 3.517 3.485 3.543 . 0 0 "[ . 1]" 1
575 1 42 ASP HA 1 44 LEU H 2.500 . 5.500 3.968 3.868 4.065 . 0 0 "[ . 1]" 1
576 1 42 ASP QB 1 43 PHE H 2.800 . 5.500 2.712 2.557 2.849 . 0 0 "[ . 1]" 1
577 1 42 ASP QB 1 43 PHE QE 4.000 . 6.000 2.916 2.359 3.379 . 0 0 "[ . 1]" 1
578 1 42 ASP HB2 1 43 PHE H 3.100 . 5.500 3.465 2.870 3.830 . 0 0 "[ . 1]" 1
579 1 42 ASP HB2 1 43 PHE QD 4.000 . 6.000 4.299 3.708 4.899 . 0 0 "[ . 1]" 1
580 1 42 ASP HB2 1 43 PHE QE 4.000 . 6.000 4.121 3.277 4.628 . 0 0 "[ . 1]" 1
581 1 43 PHE H 1 43 PHE HA 2.700 . 5.500 2.945 2.943 2.947 . 0 0 "[ . 1]" 1
582 1 43 PHE H 1 43 PHE HB2 3.200 . 5.500 2.920 2.682 3.341 . 0 0 "[ . 1]" 1
583 1 43 PHE H 1 43 PHE QB 2.600 . 5.500 2.807 2.626 3.081 . 0 0 "[ . 1]" 1
584 1 43 PHE H 1 43 PHE QD 2.600 . 5.500 3.063 2.442 3.336 . 0 0 "[ . 1]" 1
585 1 43 PHE H 1 44 LEU H 2.400 . 5.500 2.596 2.508 2.719 . 0 0 "[ . 1]" 1
586 1 43 PHE H 1 44 LEU HA 3.200 . 6.500 4.464 4.425 4.525 . 0 0 "[ . 1]" 1
587 1 43 PHE H 1 44 LEU QB 3.200 . 5.500 4.127 3.999 4.279 . 0 0 "[ . 1]" 1
588 1 43 PHE H 1 44 LEU HG 3.200 . 5.500 5.123 4.902 5.402 . 0 0 "[ . 1]" 1
589 1 43 PHE HA 1 43 PHE QD 3.000 . 4.000 2.548 2.120 3.526 . 0 0 "[ . 1]" 1
590 1 43 PHE HA 1 44 LEU H 2.800 . 5.500 2.979 2.890 3.048 . 0 0 "[ . 1]" 1
591 1 43 PHE HB2 1 43 PHE QD 3.200 . 4.000 2.330 2.252 2.500 . 0 0 "[ . 1]" 1
592 1 43 PHE HB2 1 44 LEU H 3.200 . 5.500 4.063 3.957 4.219 . 0 0 "[ . 1]" 1
593 1 44 LEU H 1 44 LEU HA 3.000 . 6.500 2.819 2.799 2.877 . 0 0 "[ . 1]" 1
594 1 44 LEU H 1 44 LEU HB2 3.000 . 5.500 3.572 3.536 3.610 . 0 0 "[ . 1]" 1
595 1 44 LEU H 1 44 LEU QB 2.200 . 5.500 2.345 2.243 2.447 . 0 0 "[ . 1]" 1
596 1 44 LEU H 1 44 LEU MD1 3.200 . 5.500 3.959 3.858 4.055 . 0 0 "[ . 1]" 1
597 1 44 LEU H 1 44 LEU MD2 3.100 . 5.500 3.157 2.980 3.302 . 0 0 "[ . 1]" 1
598 1 44 LEU H 1 45 ILE H 3.200 . 5.500 4.452 4.352 4.557 . 0 0 "[ . 1]" 1
599 1 44 LEU HA 1 44 LEU HB2 2.800 . 6.500 2.344 2.307 2.392 . 0 0 "[ . 1]" 1
600 1 44 LEU HA 1 44 LEU MD1 2.500 . 6.500 3.490 3.348 3.615 . 0 0 "[ . 1]" 1
601 1 44 LEU HA 1 44 LEU MD2 3.300 . 6.500 4.073 4.012 4.118 . 0 0 "[ . 1]" 1
602 1 44 LEU HA 1 44 LEU HG 3.100 . 6.500 3.679 3.647 3.701 . 0 0 "[ . 1]" 1
603 1 44 LEU HA 1 45 ILE H 2.500 . 5.500 2.142 2.131 2.153 . 0 0 "[ . 1]" 1
604 1 44 LEU HA 1 45 ILE HB 3.100 . 6.500 4.772 4.537 4.913 . 0 0 "[ . 1]" 1
605 1 44 LEU QB 1 45 ILE H 3.000 . 5.500 3.395 3.197 3.555 . 0 0 "[ . 1]" 1
606 1 44 LEU HB2 1 44 LEU MD1 3.100 . 6.500 2.068 2.008 2.150 . 0 0 "[ . 1]" 1
607 1 44 LEU HB2 1 44 LEU MD2 2.900 . 6.500 2.707 2.578 2.789 . 0 0 "[ . 1]" 1
608 1 44 LEU HB3 1 44 LEU MD1 3.100 . 6.500 3.111 3.081 3.140 . 0 0 "[ . 1]" 1
609 1 44 LEU HB3 1 44 LEU MD2 2.600 . 6.500 2.005 1.934 2.166 . 0 0 "[ . 1]" 1
610 1 44 LEU MD1 1 44 LEU MD2 2.300 . 5.500 1.964 1.908 2.049 . 0 0 "[ . 1]" 1
611 1 44 LEU MD1 1 45 ILE H 3.000 . 5.500 3.646 3.351 4.043 . 0 0 "[ . 1]" 1
612 1 44 LEU MD1 1 45 ILE HB 3.200 . 6.500 2.533 2.147 2.838 . 0 0 "[ . 1]" 1
613 1 45 ILE H 1 45 ILE HA 3.000 . 6.500 2.283 2.277 2.291 . 0 0 "[ . 1]" 1
614 1 45 ILE H 1 45 ILE HB 2.900 . 6.500 3.585 3.443 3.686 . 0 0 "[ . 1]" 1
615 1 45 ILE H 1 45 ILE MD 3.200 . 6.500 2.507 1.965 3.992 . 0 0 "[ . 1]" 1
616 1 45 ILE H 1 45 ILE MG 3.600 . 6.500 3.942 3.871 4.021 . 0 0 "[ . 1]" 1
617 1 45 ILE HA 1 45 ILE MD 3.300 . 6.500 2.455 1.964 3.901 . 0 0 "[ . 1]" 1
618 1 45 ILE HA 1 45 ILE MG 2.700 . 6.500 2.280 2.132 2.380 . 0 0 "[ . 1]" 1
619 1 45 ILE HB 1 45 ILE MD 3.000 . 6.500 2.946 2.251 3.232 . 0 0 "[ . 1]" 1
620 1 45 ILE MD 1 45 ILE MG 2.400 . 6.500 2.289 1.889 3.235 . 0 0 "[ . 1]" 1
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