NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
470530 |
2ami   |
6820 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ami
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 785
_Distance_constraint_stats_list.Viol_count 191
_Distance_constraint_stats_list.Viol_total 115.607
_Distance_constraint_stats_list.Viol_max 0.136
_Distance_constraint_stats_list.Viol_rms 0.0044
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0303
_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 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.359 0.042 17 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.477 0.042 17 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ILE 0.118 0.023 18 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.070 0.017 13 0 "[ . 1 . 2]"
1 37 ASP 0.024 0.011 20 0 "[ . 1 . 2]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.197 0.070 8 0 "[ . 1 . 2]"
1 41 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.348 0.083 14 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 1.808 0.136 6 0 "[ . 1 . 2]"
1 45 GLY 0.975 0.136 6 0 "[ . 1 . 2]"
1 46 THR 1.219 0.098 9 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.048 0.036 16 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.287 0.042 6 0 "[ . 1 . 2]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 MET 0.002 0.002 11 0 "[ . 1 . 2]"
1 57 ARG 0.064 0.030 18 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.301 0.022 2 0 "[ . 1 . 2]"
1 60 GLY 0.163 0.022 2 0 "[ . 1 . 2]"
1 61 PHE 0.200 0.030 18 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.506 0.050 7 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.740 0.055 11 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.740 0.055 11 0 "[ . 1 . 2]"
1 77 LYS 0.007 0.007 5 0 "[ . 1 . 2]"
1 78 ASP 0.133 0.053 2 0 "[ . 1 . 2]"
1 79 GLY 0.007 0.007 5 0 "[ . 1 . 2]"
1 80 SER 0.207 0.053 2 0 "[ . 1 . 2]"
1 81 GLY 0.104 0.050 2 0 "[ . 1 . 2]"
1 82 THR 1.244 0.098 9 0 "[ . 1 . 2]"
1 83 ILE 0.101 0.046 2 0 "[ . 1 . 2]"
1 84 ASP 0.119 0.115 18 0 "[ . 1 . 2]"
1 85 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.115 0.115 18 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.066 0.017 13 0 "[ . 1 . 2]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.015 0.015 9 0 "[ . 1 . 2]"
1 96 MET 0.015 0.015 9 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 LEU HA 1 24 LEU HG . . 3.500 3.203 2.861 3.372 . 0 0 "[ . 1 . 2]" 1
2 1 24 LEU H 1 24 LEU HG . . 3.300 2.562 2.111 3.236 . 0 0 "[ . 1 . 2]" 1
3 1 24 LEU H 1 24 LEU QB . . 3.300 2.474 2.347 2.595 . 0 0 "[ . 1 . 2]" 1
4 1 24 LEU HA 1 24 LEU MD1 . . 4.500 3.777 3.715 3.815 . 0 0 "[ . 1 . 2]" 1
5 1 24 LEU HA 1 24 LEU MD2 . . 4.000 2.136 2.098 2.215 . 0 0 "[ . 1 . 2]" 1
6 1 24 LEU MD2 1 28 GLN QG . . 6.300 3.671 2.961 4.187 . 0 0 "[ . 1 . 2]" 1
7 1 24 LEU MD2 1 93 THR HA . . 6.300 3.247 2.709 4.241 . 0 0 "[ . 1 . 2]" 1
8 1 25 THR HB 1 27 GLU QB . . 4.000 3.309 2.875 3.621 . 0 0 "[ . 1 . 2]" 1
9 1 24 LEU HA 1 25 THR H . . 3.300 2.255 2.102 2.405 . 0 0 "[ . 1 . 2]" 1
10 1 24 LEU QB 1 25 THR H . . 4.300 3.599 2.932 3.863 . 0 0 "[ . 1 . 2]" 1
11 1 24 LEU QD 1 25 THR H . . 6.300 3.803 3.435 4.006 . 0 0 "[ . 1 . 2]" 1
12 1 25 THR H 1 25 THR MG . . 4.800 2.439 2.128 3.688 . 0 0 "[ . 1 . 2]" 1
13 1 25 THR H 1 28 GLN QB . . 4.300 2.571 2.109 3.069 . 0 0 "[ . 1 . 2]" 1
14 1 24 LEU HA 1 25 THR MG . . 6.300 4.229 3.759 5.344 . 0 0 "[ . 1 . 2]" 1
15 1 25 THR MG 1 28 GLN QG . . 6.300 3.906 3.184 4.555 . 0 0 "[ . 1 . 2]" 1
16 1 25 THR HA 1 26 GLU H . . 3.300 2.413 2.323 2.504 . 0 0 "[ . 1 . 2]" 1
17 1 25 THR HB 1 26 GLU H . . 4.300 2.705 2.374 3.835 . 0 0 "[ . 1 . 2]" 1
18 1 25 THR MG 1 26 GLU H . . 6.300 3.526 2.110 3.859 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLU H 1 26 GLU QG . . 4.300 2.972 1.974 3.941 . 0 0 "[ . 1 . 2]" 1
20 1 26 GLU HA 1 26 GLU QG . . 3.500 2.509 2.326 3.172 . 0 0 "[ . 1 . 2]" 1
21 1 27 GLU HA 1 28 GLN H . . 4.000 3.622 3.569 3.663 . 0 0 "[ . 1 . 2]" 1
22 1 27 GLU HA 1 30 GLN H . . 4.000 3.457 3.281 3.669 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLU HA 1 30 GLN QG . . 4.000 3.320 2.374 3.632 . 0 0 "[ . 1 . 2]" 1
24 1 25 THR HB 1 27 GLU H . . 4.300 2.752 2.432 3.346 . 0 0 "[ . 1 . 2]" 1
25 1 25 THR MG 1 27 GLU H . . 6.300 4.024 2.384 4.619 . 0 0 "[ . 1 . 2]" 1
26 1 27 GLU H 1 27 GLU QB . . 3.300 2.443 2.025 2.699 . 0 0 "[ . 1 . 2]" 1
27 1 27 GLU H 1 27 GLU QG . . 4.300 2.825 2.057 3.924 . 0 0 "[ . 1 . 2]" 1
28 1 25 THR H 1 28 GLN H . . 5.800 3.633 3.323 3.966 . 0 0 "[ . 1 . 2]" 1
29 1 25 THR MG 1 28 GLN H . . 6.300 4.043 3.635 4.470 . 0 0 "[ . 1 . 2]" 1
30 1 27 GLU H 1 28 GLN H . . 3.300 2.869 2.656 3.047 . 0 0 "[ . 1 . 2]" 1
31 1 27 GLU QB 1 28 GLN H . . 3.300 2.467 2.301 2.782 . 0 0 "[ . 1 . 2]" 1
32 1 28 GLN H 1 28 GLN QB . . 3.300 2.366 2.225 2.486 . 0 0 "[ . 1 . 2]" 1
33 1 24 LEU QB 1 28 GLN QB . . 5.800 2.891 2.185 3.718 . 0 0 "[ . 1 . 2]" 1
34 1 24 LEU MD1 1 28 GLN QB . . 6.300 3.849 2.812 4.698 . 0 0 "[ . 1 . 2]" 1
35 1 24 LEU MD2 1 28 GLN QB . . 6.300 2.515 2.140 2.948 . 0 0 "[ . 1 . 2]" 1
36 1 28 GLN HA 1 28 GLN QG . . 3.500 2.417 2.287 2.885 . 0 0 "[ . 1 . 2]" 1
37 1 28 GLN H 1 28 GLN QG . . 4.000 2.535 2.308 3.585 . 0 0 "[ . 1 . 2]" 1
38 1 24 LEU MD1 1 29 LYS HA . . 6.300 4.139 3.366 5.238 . 0 0 "[ . 1 . 2]" 1
39 1 24 LEU MD2 1 29 LYS HA . . 6.300 4.777 4.294 5.260 . 0 0 "[ . 1 . 2]" 1
40 1 29 LYS HA 1 29 LYS QG . . 3.500 2.319 2.209 2.509 . 0 0 "[ . 1 . 2]" 1
41 1 26 GLU HA 1 29 LYS H . . 3.300 3.306 3.213 3.342 0.042 17 0 "[ . 1 . 2]" 1
42 1 28 GLN HA 1 29 LYS H . . 4.300 3.618 3.597 3.647 . 0 0 "[ . 1 . 2]" 1
43 1 28 GLN H 1 29 LYS H . . 3.300 2.772 2.502 2.939 . 0 0 "[ . 1 . 2]" 1
44 1 28 GLN QB 1 29 LYS H . . 3.300 2.623 2.536 2.786 . 0 0 "[ . 1 . 2]" 1
45 1 28 GLN QG 1 29 LYS H . . 5.800 4.304 4.109 4.669 . 0 0 "[ . 1 . 2]" 1
46 1 29 LYS H 1 29 LYS QG . . 4.300 2.325 2.099 3.858 . 0 0 "[ . 1 . 2]" 1
47 1 29 LYS H 1 32 ILE MD . . 6.300 4.065 3.807 4.395 . 0 0 "[ . 1 . 2]" 1
48 1 24 LEU QB 1 29 LYS QE . . 5.800 3.779 2.486 4.621 . 0 0 "[ . 1 . 2]" 1
49 1 26 GLU HA 1 29 LYS QE . . 4.000 2.939 2.134 3.580 . 0 0 "[ . 1 . 2]" 1
50 1 24 LEU QB 1 29 LYS QG . . 5.800 2.512 2.120 4.079 . 0 0 "[ . 1 . 2]" 1
51 1 29 LYS QG 1 89 LEU QD . . 6.300 2.609 2.262 3.121 . 0 0 "[ . 1 . 2]" 1
52 1 29 LYS HA 1 30 GLN H . . 4.300 3.594 3.565 3.617 . 0 0 "[ . 1 . 2]" 1
53 1 29 LYS H 1 30 GLN H . . 3.300 2.815 2.729 2.911 . 0 0 "[ . 1 . 2]" 1
54 1 29 LYS QB 1 30 GLN H . . 3.300 2.673 2.442 2.862 . 0 0 "[ . 1 . 2]" 1
55 1 30 GLN H 1 30 GLN QB . . 3.300 2.413 2.109 2.684 . 0 0 "[ . 1 . 2]" 1
56 1 30 GLN H 1 30 GLN QG . . 4.300 2.513 2.267 3.883 . 0 0 "[ . 1 . 2]" 1
57 1 27 GLU HA 1 30 GLN QB . . 3.500 2.711 2.374 3.142 . 0 0 "[ . 1 . 2]" 1
58 1 30 GLN QB 1 31 GLU H . . 4.000 2.494 2.345 3.409 . 0 0 "[ . 1 . 2]" 1
59 1 30 GLN H 1 31 GLU H . . 3.300 2.820 2.684 2.956 . 0 0 "[ . 1 . 2]" 1
60 1 31 GLU H 1 31 GLU QB . . 3.300 2.442 2.376 2.537 . 0 0 "[ . 1 . 2]" 1
61 1 31 GLU H 1 31 GLU QG . . 3.300 2.217 2.152 2.283 . 0 0 "[ . 1 . 2]" 1
62 1 32 ILE HA 1 35 ALA H . . 4.000 3.535 3.446 3.690 . 0 0 "[ . 1 . 2]" 1
63 1 29 LYS HA 1 32 ILE HB . . 3.500 2.481 2.311 2.697 . 0 0 "[ . 1 . 2]" 1
64 1 32 ILE HA 1 32 ILE HG12 . . 3.500 2.523 2.464 2.568 . 0 0 "[ . 1 . 2]" 1
65 1 29 LYS HA 1 32 ILE HG13 . . 4.000 3.924 3.683 4.023 0.023 18 0 "[ . 1 . 2]" 1
66 1 32 ILE HA 1 32 ILE HG13 . . 3.500 2.773 2.686 2.881 . 0 0 "[ . 1 . 2]" 1
67 1 29 LYS HA 1 32 ILE H . . 4.300 3.441 3.247 3.585 . 0 0 "[ . 1 . 2]" 1
68 1 31 GLU HA 1 32 ILE H . . 4.300 3.586 3.561 3.599 . 0 0 "[ . 1 . 2]" 1
69 1 31 GLU H 1 32 ILE H . . 3.300 2.862 2.798 2.947 . 0 0 "[ . 1 . 2]" 1
70 1 31 GLU QB 1 32 ILE H . . 3.300 2.477 2.394 2.572 . 0 0 "[ . 1 . 2]" 1
71 1 32 ILE H 1 32 ILE HB . . 3.300 2.386 2.320 2.458 . 0 0 "[ . 1 . 2]" 1
72 1 32 ILE H 1 32 ILE HG12 . . 4.300 3.609 3.528 3.681 . 0 0 "[ . 1 . 2]" 1
73 1 32 ILE H 1 32 ILE HG13 . . 3.300 2.258 2.178 2.336 . 0 0 "[ . 1 . 2]" 1
74 1 29 LYS HA 1 32 ILE MD . . 4.500 2.561 2.379 2.893 . 0 0 "[ . 1 . 2]" 1
75 1 29 LYS HA 1 32 ILE MG . . 6.300 3.812 3.605 4.034 . 0 0 "[ . 1 . 2]" 1
76 1 32 ILE MG 1 33 ARG HA . . 6.300 3.484 3.364 3.635 . 0 0 "[ . 1 . 2]" 1
77 1 32 ILE HA 1 33 ARG H . . 4.300 3.611 3.580 3.625 . 0 0 "[ . 1 . 2]" 1
78 1 32 ILE HB 1 33 ARG H . . 3.300 2.735 2.670 2.825 . 0 0 "[ . 1 . 2]" 1
79 1 32 ILE H 1 33 ARG H . . 3.300 2.799 2.745 2.842 . 0 0 "[ . 1 . 2]" 1
80 1 32 ILE MD 1 33 ARG H . . 6.300 4.649 4.560 4.736 . 0 0 "[ . 1 . 2]" 1
81 1 32 ILE MG 1 33 ARG H . . 6.300 3.360 3.219 3.509 . 0 0 "[ . 1 . 2]" 1
82 1 33 ARG H 1 33 ARG QB . . 3.300 2.227 2.125 2.280 . 0 0 "[ . 1 . 2]" 1
83 1 33 ARG H 1 33 ARG QD . . 5.800 4.375 4.162 4.762 . 0 0 "[ . 1 . 2]" 1
84 1 33 ARG H 1 85 PHE QE . . 4.300 3.546 3.315 3.728 . 0 0 "[ . 1 . 2]" 1
85 1 33 ARG HA 1 33 ARG QD . . 3.500 2.359 2.096 3.191 . 0 0 "[ . 1 . 2]" 1
86 1 34 GLU HA 1 37 ASP QB . . 4.000 2.703 2.365 2.906 . 0 0 "[ . 1 . 2]" 1
87 1 32 ILE HA 1 34 GLU H . . 5.800 4.610 4.472 4.723 . 0 0 "[ . 1 . 2]" 1
88 1 33 ARG H 1 34 GLU H . . 3.300 2.811 2.756 2.885 . 0 0 "[ . 1 . 2]" 1
89 1 33 ARG QB 1 34 GLU H . . 3.300 2.617 2.481 2.734 . 0 0 "[ . 1 . 2]" 1
90 1 33 ARG QG 1 34 GLU H . . 5.800 3.737 3.146 4.576 . 0 0 "[ . 1 . 2]" 1
91 1 34 GLU H 1 34 GLU QB . . 3.300 2.332 2.145 2.516 . 0 0 "[ . 1 . 2]" 1
92 1 34 GLU H 1 34 GLU QG . . 4.300 2.875 2.204 3.892 . 0 0 "[ . 1 . 2]" 1
93 1 35 ALA H 1 35 ALA HA . . 3.000 2.823 2.804 2.842 . 0 0 "[ . 1 . 2]" 1
94 1 35 ALA HA 1 38 LEU H . . 4.000 3.607 3.498 3.675 . 0 0 "[ . 1 . 2]" 1
95 1 34 GLU HA 1 35 ALA H . . 4.300 3.597 3.582 3.608 . 0 0 "[ . 1 . 2]" 1
96 1 34 GLU H 1 35 ALA H . . 3.300 2.839 2.661 2.918 . 0 0 "[ . 1 . 2]" 1
97 1 32 ILE HA 1 35 ALA MB . . 4.500 2.543 2.457 2.679 . 0 0 "[ . 1 . 2]" 1
98 1 32 ILE MG 1 35 ALA MB . . 6.800 3.702 3.537 3.922 . 0 0 "[ . 1 . 2]" 1
99 1 33 ARG HA 1 36 PHE HB2 . . 4.000 3.271 3.136 3.417 . 0 0 "[ . 1 . 2]" 1
100 1 33 ARG HA 1 36 PHE HB3 . . 3.500 2.447 2.372 2.634 . 0 0 "[ . 1 . 2]" 1
101 1 33 ARG QD 1 36 PHE HB3 . . 5.800 3.136 2.677 4.207 . 0 0 "[ . 1 . 2]" 1
102 1 32 ILE MG 1 36 PHE H . . 6.300 3.953 3.875 4.038 . 0 0 "[ . 1 . 2]" 1
103 1 33 ARG HA 1 36 PHE H . . 4.300 3.458 3.319 3.595 . 0 0 "[ . 1 . 2]" 1
104 1 35 ALA HA 1 36 PHE H . . 4.300 3.589 3.573 3.609 . 0 0 "[ . 1 . 2]" 1
105 1 35 ALA H 1 36 PHE H . . 3.300 2.837 2.785 2.881 . 0 0 "[ . 1 . 2]" 1
106 1 35 ALA MB 1 36 PHE H . . 4.800 2.390 2.336 2.432 . 0 0 "[ . 1 . 2]" 1
107 1 36 PHE H 1 36 PHE HB2 . . 3.300 2.497 2.454 2.528 . 0 0 "[ . 1 . 2]" 1
108 1 36 PHE H 1 36 PHE HB3 . . 3.300 2.523 2.465 2.603 . 0 0 "[ . 1 . 2]" 1
109 1 36 PHE H 1 88 PHE HZ . . 4.300 4.204 3.883 4.317 0.017 13 0 "[ . 1 . 2]" 1
110 1 36 PHE HZ 1 46 THR HB . . 5.800 4.665 4.305 5.250 . 0 0 "[ . 1 . 2]" 1
111 1 36 PHE HZ 1 47 ILE HG13 . . 4.500 3.506 3.035 4.042 . 0 0 "[ . 1 . 2]" 1
112 1 33 ARG HA 1 36 PHE QD . . 5.800 3.988 3.810 4.371 . 0 0 "[ . 1 . 2]" 1
113 1 33 ARG QD 1 36 PHE QD . . 5.800 3.236 2.510 4.486 . 0 0 "[ . 1 . 2]" 1
114 1 36 PHE QD 1 37 ASP HA . . 5.800 3.181 2.802 3.441 . 0 0 "[ . 1 . 2]" 1
115 1 36 PHE QD 1 47 ILE HG12 . . 5.800 4.387 3.982 4.607 . 0 0 "[ . 1 . 2]" 1
116 1 36 PHE QD 1 47 ILE HG13 . . 5.800 3.377 2.945 3.623 . 0 0 "[ . 1 . 2]" 1
117 1 36 PHE QD 1 83 ILE MG . . 6.300 4.313 4.173 4.474 . 0 0 "[ . 1 . 2]" 1
118 1 36 PHE QD 1 85 PHE HA . . 5.800 3.273 3.094 3.479 . 0 0 "[ . 1 . 2]" 1
119 1 36 PHE QD 1 85 PHE QE . . 5.800 4.515 4.288 4.615 . 0 0 "[ . 1 . 2]" 1
120 1 36 PHE QD 1 88 PHE QB . . 5.800 2.520 2.372 2.657 . 0 0 "[ . 1 . 2]" 1
121 1 36 PHE QD 1 88 PHE QE . . 5.800 3.749 3.521 3.985 . 0 0 "[ . 1 . 2]" 1
122 1 36 PHE QE 1 45 GLY QA . . 5.800 3.359 2.324 4.061 . 0 0 "[ . 1 . 2]" 1
123 1 36 PHE QE 1 47 ILE HB . . 5.800 3.450 2.988 4.071 . 0 0 "[ . 1 . 2]" 1
124 1 36 PHE QE 1 47 ILE HG12 . . 5.800 4.302 4.164 4.410 . 0 0 "[ . 1 . 2]" 1
125 1 36 PHE QE 1 47 ILE HG13 . . 5.800 2.733 2.622 2.901 . 0 0 "[ . 1 . 2]" 1
126 1 36 PHE QE 1 83 ILE MG . . 6.300 3.320 3.058 3.624 . 0 0 "[ . 1 . 2]" 1
127 1 36 PHE QE 1 85 PHE HA . . 4.500 2.869 2.694 3.017 . 0 0 "[ . 1 . 2]" 1
128 1 36 PHE QE 1 85 PHE QB . . 5.800 2.956 2.772 3.120 . 0 0 "[ . 1 . 2]" 1
129 1 36 PHE QE 1 88 PHE QB . . 5.800 2.691 2.478 2.839 . 0 0 "[ . 1 . 2]" 1
130 1 37 ASP HA 1 40 ASP HB2 . . 4.000 3.815 3.202 4.011 0.011 20 0 "[ . 1 . 2]" 1
131 1 34 GLU HA 1 37 ASP H . . 4.300 3.558 3.172 3.727 . 0 0 "[ . 1 . 2]" 1
132 1 35 ALA HA 1 37 ASP H . . 5.800 4.716 4.605 4.863 . 0 0 "[ . 1 . 2]" 1
133 1 35 ALA H 1 37 ASP H . . 5.800 4.399 4.236 4.524 . 0 0 "[ . 1 . 2]" 1
134 1 36 PHE HA 1 37 ASP H . . 5.800 3.585 3.561 3.606 . 0 0 "[ . 1 . 2]" 1
135 1 36 PHE HB2 1 37 ASP H . . 4.300 3.763 3.705 3.826 . 0 0 "[ . 1 . 2]" 1
136 1 36 PHE HB3 1 37 ASP H . . 3.300 2.365 2.263 2.474 . 0 0 "[ . 1 . 2]" 1
137 1 36 PHE QD 1 37 ASP H . . 5.800 3.086 2.859 3.326 . 0 0 "[ . 1 . 2]" 1
138 1 37 ASP H 1 37 ASP QB . . 3.300 2.328 2.169 2.547 . 0 0 "[ . 1 . 2]" 1
139 1 38 LEU HA 1 38 LEU HG . . 3.500 2.469 2.406 2.739 . 0 0 "[ . 1 . 2]" 1
140 1 36 PHE HA 1 38 LEU H . . 5.800 4.714 4.671 4.768 . 0 0 "[ . 1 . 2]" 1
141 1 37 ASP HA 1 38 LEU H . . 4.300 3.608 3.595 3.622 . 0 0 "[ . 1 . 2]" 1
142 1 37 ASP H 1 38 LEU H . . 3.300 2.866 2.822 2.933 . 0 0 "[ . 1 . 2]" 1
143 1 37 ASP QB 1 38 LEU H . . 4.300 2.467 2.378 2.583 . 0 0 "[ . 1 . 2]" 1
144 1 38 LEU H 1 38 LEU QB . . 3.300 2.247 2.219 2.261 . 0 0 "[ . 1 . 2]" 1
145 1 35 ALA HA 1 38 LEU QB . . 3.500 2.687 2.585 2.805 . 0 0 "[ . 1 . 2]" 1
146 1 35 ALA MB 1 38 LEU QB . . 6.300 4.035 3.953 4.150 . 0 0 "[ . 1 . 2]" 1
147 1 35 ALA HA 1 38 LEU MD1 . . 6.300 4.188 3.803 4.841 . 0 0 "[ . 1 . 2]" 1
148 1 38 LEU HA 1 38 LEU MD1 . . 4.500 3.257 2.382 3.505 . 0 0 "[ . 1 . 2]" 1
149 1 35 ALA HA 1 38 LEU MD2 . . 6.300 3.767 3.554 3.935 . 0 0 "[ . 1 . 2]" 1
150 1 38 LEU MD2 1 41 THR MG . . 6.800 3.744 3.196 4.723 . 0 0 "[ . 1 . 2]" 1
151 1 38 LEU MD2 1 58 ALA MB . . 6.800 4.355 3.840 4.693 . 0 0 "[ . 1 . 2]" 1
152 1 38 LEU MD1 1 39 PHE HA . . 6.300 5.267 5.250 5.282 . 0 0 "[ . 1 . 2]" 1
153 1 36 PHE HA 1 39 PHE H . . 5.800 3.727 3.649 3.784 . 0 0 "[ . 1 . 2]" 1
154 1 38 LEU HA 1 39 PHE H . . 4.300 3.615 3.592 3.636 . 0 0 "[ . 1 . 2]" 1
155 1 38 LEU H 1 39 PHE H . . 3.300 2.880 2.841 2.916 . 0 0 "[ . 1 . 2]" 1
156 1 38 LEU QB 1 39 PHE H . . 4.300 2.446 2.287 2.523 . 0 0 "[ . 1 . 2]" 1
157 1 39 PHE H 1 39 PHE HB2 . . 3.300 2.502 2.469 2.554 . 0 0 "[ . 1 . 2]" 1
158 1 39 PHE H 1 39 PHE HB3 . . 4.300 3.607 3.583 3.622 . 0 0 "[ . 1 . 2]" 1
159 1 39 PHE H 1 39 PHE QD . . 4.300 3.267 3.081 3.336 . 0 0 "[ . 1 . 2]" 1
160 1 39 PHE H 1 40 ASP H . . 3.300 2.754 2.643 2.810 . 0 0 "[ . 1 . 2]" 1
161 1 39 PHE H 1 47 ILE MD . . 6.300 4.106 3.955 4.303 . 0 0 "[ . 1 . 2]" 1
162 1 38 LEU MD2 1 39 PHE QD . . 6.300 2.408 2.283 2.706 . 0 0 "[ . 1 . 2]" 1
163 1 39 PHE HA 1 39 PHE QD . . 3.500 2.169 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
164 1 39 PHE QD 1 54 VAL MG1 . . 6.300 4.036 3.723 4.188 . 0 0 "[ . 1 . 2]" 1
165 1 38 LEU MD2 1 39 PHE QE . . 6.300 3.019 2.727 3.185 . 0 0 "[ . 1 . 2]" 1
166 1 39 PHE HA 1 39 PHE QE . . 5.800 4.487 4.447 4.536 . 0 0 "[ . 1 . 2]" 1
167 1 39 PHE QE 1 52 LEU MD1 . . 6.300 4.698 4.690 4.704 . 0 0 "[ . 1 . 2]" 1
168 1 39 PHE QE 1 54 VAL MG1 . . 6.300 4.687 4.675 4.693 . 0 0 "[ . 1 . 2]" 1
169 1 39 PHE QE 1 55 ALA MB . . 6.300 2.814 2.766 2.873 . 0 0 "[ . 1 . 2]" 1
170 1 39 PHE QE 1 59 LEU MD1 . . 6.300 3.128 2.636 3.835 . 0 0 "[ . 1 . 2]" 1
171 1 39 PHE QE 1 59 LEU MD2 . . 6.300 3.744 3.285 4.236 . 0 0 "[ . 1 . 2]" 1
172 1 40 ASP HA 1 47 ILE HG12 . . 4.000 2.874 2.288 3.547 . 0 0 "[ . 1 . 2]" 1
173 1 40 ASP HA 1 47 ILE HG13 . . 5.800 4.076 3.350 4.877 . 0 0 "[ . 1 . 2]" 1
174 1 37 ASP HA 1 40 ASP HB3 . . 3.500 2.632 2.286 2.930 . 0 0 "[ . 1 . 2]" 1
175 1 40 ASP HB3 1 47 ILE MD . . 6.300 4.629 4.292 5.075 . 0 0 "[ . 1 . 2]" 1
176 1 37 ASP HA 1 40 ASP H . . 4.300 3.527 3.384 3.602 . 0 0 "[ . 1 . 2]" 1
177 1 38 LEU HA 1 40 ASP H . . 5.800 4.449 4.337 4.611 . 0 0 "[ . 1 . 2]" 1
178 1 38 LEU H 1 40 ASP H . . 4.300 4.166 4.090 4.236 . 0 0 "[ . 1 . 2]" 1
179 1 39 PHE HB3 1 40 ASP H . . 5.800 3.744 3.674 3.846 . 0 0 "[ . 1 . 2]" 1
180 1 40 ASP H 1 40 ASP HB2 . . 3.300 2.573 2.273 2.687 . 0 0 "[ . 1 . 2]" 1
181 1 40 ASP H 1 40 ASP HB3 . . 3.300 2.479 2.412 2.597 . 0 0 "[ . 1 . 2]" 1
182 1 40 ASP H 1 47 ILE MD . . 6.300 3.520 3.227 3.928 . 0 0 "[ . 1 . 2]" 1
183 1 40 ASP HA 1 41 THR H . . 3.300 2.630 2.523 2.967 . 0 0 "[ . 1 . 2]" 1
184 1 40 ASP HB2 1 41 THR H . . 5.800 4.663 4.576 4.714 . 0 0 "[ . 1 . 2]" 1
185 1 41 THR H 1 41 THR HB . . 4.300 3.468 2.848 3.597 . 0 0 "[ . 1 . 2]" 1
186 1 41 THR H 1 41 THR MG . . 4.800 2.348 2.105 3.550 . 0 0 "[ . 1 . 2]" 1
187 1 41 THR H 1 51 GLU HB3 . . 5.800 3.886 3.644 4.302 . 0 0 "[ . 1 . 2]" 1
188 1 41 THR H 1 51 GLU QG . . 4.300 3.713 3.383 3.854 . 0 0 "[ . 1 . 2]" 1
189 1 38 LEU HA 1 41 THR MG . . 6.300 4.012 3.825 4.199 . 0 0 "[ . 1 . 2]" 1
190 1 38 LEU MD1 1 41 THR MG . . 6.800 4.660 4.141 4.740 . 0 0 "[ . 1 . 2]" 1
191 1 39 PHE HA 1 41 THR MG . . 6.300 3.281 2.841 4.751 . 0 0 "[ . 1 . 2]" 1
192 1 41 THR MG 1 54 VAL MG1 . . 6.800 4.269 3.414 4.734 . 0 0 "[ . 1 . 2]" 1
193 1 40 ASP HA 1 42 ASP H . . 4.300 3.492 2.980 4.226 . 0 0 "[ . 1 . 2]" 1
194 1 40 ASP HB3 1 42 ASP H . . 5.800 5.347 4.823 5.870 0.070 8 0 "[ . 1 . 2]" 1
195 1 41 THR HA 1 42 ASP H . . 4.300 3.544 3.514 3.574 . 0 0 "[ . 1 . 2]" 1
196 1 41 THR HB 1 42 ASP H . . 4.300 3.540 2.643 4.073 . 0 0 "[ . 1 . 2]" 1
197 1 41 THR MG 1 42 ASP H . . 6.300 3.997 3.726 4.202 . 0 0 "[ . 1 . 2]" 1
198 1 42 ASP H 1 42 ASP HB2 . . 3.300 2.552 2.412 2.981 . 0 0 "[ . 1 . 2]" 1
199 1 42 ASP H 1 42 ASP HB3 . . 4.300 2.861 2.325 3.750 . 0 0 "[ . 1 . 2]" 1
200 1 42 ASP H 1 43 GLY QA . . 5.800 4.446 3.850 4.657 . 0 0 "[ . 1 . 2]" 1
201 1 40 ASP HA 1 43 GLY H . . 5.800 3.773 3.152 4.153 . 0 0 "[ . 1 . 2]" 1
202 1 42 ASP HB2 1 43 GLY H . . 5.800 3.920 3.023 4.271 . 0 0 "[ . 1 . 2]" 1
203 1 42 ASP HB3 1 43 GLY H . . 5.800 3.493 2.933 4.447 . 0 0 "[ . 1 . 2]" 1
204 1 43 GLY H 1 44 SER H . . 4.300 2.743 2.555 2.941 . 0 0 "[ . 1 . 2]" 1
205 1 42 ASP HB3 1 44 SER H . . 5.800 3.635 2.691 5.380 . 0 0 "[ . 1 . 2]" 1
206 1 42 ASP H 1 44 SER H . . 4.300 4.189 3.993 4.383 0.083 14 0 "[ . 1 . 2]" 1
207 1 43 GLY QA 1 44 SER H . . 4.300 2.843 2.732 2.995 . 0 0 "[ . 1 . 2]" 1
208 1 44 SER H 1 44 SER HB2 . . 3.300 3.025 2.386 3.398 0.098 13 0 "[ . 1 . 2]" 1
209 1 44 SER H 1 46 THR H . . 4.300 3.794 3.203 4.325 0.025 15 0 "[ . 1 . 2]" 1
210 1 44 SER HB3 1 45 GLY H . . 4.300 4.331 4.159 4.436 0.136 6 0 "[ . 1 . 2]" 1
211 1 44 SER H 1 45 GLY H . . 3.300 2.736 2.473 3.346 0.046 14 0 "[ . 1 . 2]" 1
212 1 36 PHE HZ 1 46 THR HA . . 3.500 2.331 2.183 2.843 . 0 0 "[ . 1 . 2]" 1
213 1 36 PHE QE 1 46 THR HA . . 5.800 3.459 3.112 3.735 . 0 0 "[ . 1 . 2]" 1
214 1 46 THR HB 1 82 THR MG . . 4.500 3.295 2.358 3.759 . 0 0 "[ . 1 . 2]" 1
215 1 46 THR HB 1 83 ILE H . . 5.800 3.496 2.918 4.174 . 0 0 "[ . 1 . 2]" 1
216 1 36 PHE HZ 1 46 THR H . . 5.800 4.248 3.398 4.772 . 0 0 "[ . 1 . 2]" 1
217 1 36 PHE QE 1 46 THR H . . 5.800 4.679 3.628 5.194 . 0 0 "[ . 1 . 2]" 1
218 1 44 SER HB3 1 46 THR H . . 5.800 4.344 3.505 5.858 0.058 8 0 "[ . 1 . 2]" 1
219 1 45 GLY H 1 46 THR H . . 3.300 2.573 2.153 2.989 . 0 0 "[ . 1 . 2]" 1
220 1 45 GLY QA 1 46 THR H . . 4.300 2.852 2.617 2.970 . 0 0 "[ . 1 . 2]" 1
221 1 46 THR MG 1 84 ASP HB2 . . 6.300 2.881 2.251 4.514 . 0 0 "[ . 1 . 2]" 1
222 1 46 THR MG 1 84 ASP HB3 . . 6.300 4.028 2.495 4.486 . 0 0 "[ . 1 . 2]" 1
223 1 40 ASP HA 1 47 ILE HA . . 4.000 2.980 2.849 3.352 . 0 0 "[ . 1 . 2]" 1
224 1 47 ILE HA 1 51 GLU HB3 . . 5.800 4.004 3.743 4.273 . 0 0 "[ . 1 . 2]" 1
225 1 47 ILE HA 1 47 ILE HG12 . . 3.500 2.446 2.357 2.538 . 0 0 "[ . 1 . 2]" 1
226 1 47 ILE HA 1 47 ILE HG13 . . 3.500 2.865 2.726 3.035 . 0 0 "[ . 1 . 2]" 1
227 1 36 PHE HZ 1 47 ILE H . . 5.800 3.275 2.815 3.780 . 0 0 "[ . 1 . 2]" 1
228 1 36 PHE QE 1 47 ILE H . . 5.800 2.963 2.851 3.120 . 0 0 "[ . 1 . 2]" 1
229 1 46 THR HA 1 47 ILE H . . 3.300 2.247 2.189 2.338 . 0 0 "[ . 1 . 2]" 1
230 1 46 THR HB 1 47 ILE H . . 4.300 3.202 2.889 3.621 . 0 0 "[ . 1 . 2]" 1
231 1 46 THR MG 1 47 ILE H . . 6.300 3.994 3.787 4.163 . 0 0 "[ . 1 . 2]" 1
232 1 47 ILE H 1 47 ILE HB . . 3.300 2.360 2.231 2.542 . 0 0 "[ . 1 . 2]" 1
233 1 47 ILE H 1 82 THR HA . . 5.800 4.806 4.521 5.327 . 0 0 "[ . 1 . 2]" 1
234 1 47 ILE H 1 83 ILE HB . . 4.300 3.272 3.070 3.406 . 0 0 "[ . 1 . 2]" 1
235 1 47 ILE H 1 84 ASP HA . . 5.800 3.811 3.491 4.158 . 0 0 "[ . 1 . 2]" 1
236 1 36 PHE HA 1 47 ILE MD . . 6.300 2.147 2.092 2.238 . 0 0 "[ . 1 . 2]" 1
237 1 36 PHE QD 1 47 ILE MD . . 6.300 2.216 2.165 2.290 . 0 0 "[ . 1 . 2]" 1
238 1 36 PHE QE 1 47 ILE MD . . 6.300 2.852 2.629 3.348 . 0 0 "[ . 1 . 2]" 1
239 1 39 PHE HB2 1 47 ILE MD . . 6.300 2.216 2.116 2.333 . 0 0 "[ . 1 . 2]" 1
240 1 39 PHE HB3 1 47 ILE MD . . 6.300 2.659 2.468 2.868 . 0 0 "[ . 1 . 2]" 1
241 1 39 PHE QD 1 47 ILE MD . . 6.300 2.560 2.254 2.942 . 0 0 "[ . 1 . 2]" 1
242 1 40 ASP HA 1 47 ILE MD . . 6.300 4.373 3.809 4.940 . 0 0 "[ . 1 . 2]" 1
243 1 40 ASP HB2 1 47 ILE MD . . 6.300 3.513 2.805 4.132 . 0 0 "[ . 1 . 2]" 1
244 1 47 ILE HA 1 47 ILE MD . . 4.500 3.785 3.760 3.809 . 0 0 "[ . 1 . 2]" 1
245 1 47 ILE MG 1 52 LEU MD1 . . 6.800 2.124 2.034 2.225 . 0 0 "[ . 1 . 2]" 1
246 1 48 ASP HA 1 82 THR HB . . 4.000 3.334 2.857 4.036 0.036 16 0 "[ . 1 . 2]" 1
247 1 40 ASP HA 1 48 ASP H . . 5.800 4.160 3.817 4.477 . 0 0 "[ . 1 . 2]" 1
248 1 47 ILE HA 1 48 ASP H . . 3.300 2.248 2.168 2.300 . 0 0 "[ . 1 . 2]" 1
249 1 47 ILE HB 1 48 ASP H . . 5.800 4.465 4.392 4.533 . 0 0 "[ . 1 . 2]" 1
250 1 47 ILE HG12 1 48 ASP H . . 5.800 4.482 4.105 4.753 . 0 0 "[ . 1 . 2]" 1
251 1 47 ILE H 1 48 ASP H . . 5.800 4.458 4.270 4.559 . 0 0 "[ . 1 . 2]" 1
252 1 47 ILE MG 1 48 ASP H . . 4.800 3.121 2.966 3.264 . 0 0 "[ . 1 . 2]" 1
253 1 48 ASP H 1 48 ASP HB2 . . 4.300 2.594 2.526 2.639 . 0 0 "[ . 1 . 2]" 1
254 1 48 ASP H 1 48 ASP HB3 . . 4.300 2.495 2.457 2.537 . 0 0 "[ . 1 . 2]" 1
255 1 48 ASP H 1 51 GLU HB2 . . 3.300 2.649 2.543 2.777 . 0 0 "[ . 1 . 2]" 1
256 1 48 ASP H 1 51 GLU HB3 . . 4.300 4.030 3.920 4.174 . 0 0 "[ . 1 . 2]" 1
257 1 48 ASP H 1 51 GLU QG . . 5.800 3.436 3.291 3.611 . 0 0 "[ . 1 . 2]" 1
258 1 48 ASP H 1 82 THR MG . . 6.300 4.000 3.576 4.312 . 0 0 "[ . 1 . 2]" 1
259 1 49 ALA HA 1 52 LEU H . . 4.000 3.419 3.329 3.489 . 0 0 "[ . 1 . 2]" 1
260 1 48 ASP HA 1 49 ALA H . . 3.300 2.276 2.237 2.334 . 0 0 "[ . 1 . 2]" 1
261 1 49 ALA H 1 82 THR MG . . 6.300 3.636 3.379 3.823 . 0 0 "[ . 1 . 2]" 1
262 1 49 ALA H 1 83 ILE MD . . 6.300 5.214 5.046 5.276 . 0 0 "[ . 1 . 2]" 1
263 1 49 ALA MB 1 50 LYS HA . . 6.300 3.892 3.868 3.918 . 0 0 "[ . 1 . 2]" 1
264 1 49 ALA MB 1 50 LYS QB . . 6.300 4.262 3.768 4.366 . 0 0 "[ . 1 . 2]" 1
265 1 50 LYS HA 1 51 GLU H . . 4.000 3.584 3.572 3.591 . 0 0 "[ . 1 . 2]" 1
266 1 48 ASP HB3 1 50 LYS H . . 4.300 3.491 3.396 3.545 . 0 0 "[ . 1 . 2]" 1
267 1 49 ALA HA 1 50 LYS H . . 4.300 3.606 3.595 3.623 . 0 0 "[ . 1 . 2]" 1
268 1 49 ALA H 1 50 LYS H . . 3.300 3.165 3.133 3.203 . 0 0 "[ . 1 . 2]" 1
269 1 49 ALA MB 1 50 LYS H . . 4.800 2.495 2.436 2.555 . 0 0 "[ . 1 . 2]" 1
270 1 47 ILE MG 1 51 GLU HA . . 6.300 4.082 3.965 4.306 . 0 0 "[ . 1 . 2]" 1
271 1 47 ILE HA 1 51 GLU HB2 . . 5.800 3.302 3.056 3.536 . 0 0 "[ . 1 . 2]" 1
272 1 47 ILE MG 1 51 GLU HB2 . . 4.500 2.142 2.105 2.186 . 0 0 "[ . 1 . 2]" 1
273 1 47 ILE MG 1 51 GLU HB3 . . 4.500 2.421 2.328 2.598 . 0 0 "[ . 1 . 2]" 1
274 1 47 ILE MG 1 51 GLU H . . 6.300 3.714 3.653 3.865 . 0 0 "[ . 1 . 2]" 1
275 1 49 ALA HA 1 51 GLU H . . 5.800 4.499 4.421 4.664 . 0 0 "[ . 1 . 2]" 1
276 1 50 LYS H 1 51 GLU H . . 3.300 2.729 2.676 2.825 . 0 0 "[ . 1 . 2]" 1
277 1 50 LYS QB 1 51 GLU H . . 3.300 2.567 2.389 2.755 . 0 0 "[ . 1 . 2]" 1
278 1 50 LYS QG 1 51 GLU H . . 5.800 4.101 3.612 4.634 . 0 0 "[ . 1 . 2]" 1
279 1 51 GLU H 1 51 GLU HB2 . . 3.300 2.410 2.367 2.438 . 0 0 "[ . 1 . 2]" 1
280 1 51 GLU H 1 51 GLU QG . . 3.300 2.407 2.284 2.505 . 0 0 "[ . 1 . 2]" 1
281 1 47 ILE MG 1 51 GLU QG . . 6.300 3.872 3.815 3.973 . 0 0 "[ . 1 . 2]" 1
282 1 51 GLU HA 1 51 GLU QG . . 3.500 2.416 2.393 2.436 . 0 0 "[ . 1 . 2]" 1
283 1 47 ILE MG 1 52 LEU HA . . 4.500 2.592 2.401 2.865 . 0 0 "[ . 1 . 2]" 1
284 1 47 ILE MG 1 52 LEU HB2 . . 4.500 2.286 2.165 2.475 . 0 0 "[ . 1 . 2]" 1
285 1 47 ILE MG 1 52 LEU HB3 . . 6.300 3.678 3.543 3.832 . 0 0 "[ . 1 . 2]" 1
286 1 49 ALA HA 1 52 LEU HB3 . . 3.500 2.954 2.830 3.184 . 0 0 "[ . 1 . 2]" 1
287 1 49 ALA MB 1 52 LEU HB3 . . 6.300 4.265 4.138 4.440 . 0 0 "[ . 1 . 2]" 1
288 1 52 LEU HB3 1 72 ILE MD . . 6.300 2.957 2.647 3.259 . 0 0 "[ . 1 . 2]" 1
289 1 52 LEU HA 1 52 LEU HG . . 4.000 2.596 2.531 2.671 . 0 0 "[ . 1 . 2]" 1
290 1 47 ILE MG 1 52 LEU H . . 4.800 2.445 2.304 2.654 . 0 0 "[ . 1 . 2]" 1
291 1 50 LYS H 1 52 LEU H . . 5.800 4.055 3.995 4.114 . 0 0 "[ . 1 . 2]" 1
292 1 51 GLU HA 1 52 LEU H . . 4.300 3.599 3.586 3.615 . 0 0 "[ . 1 . 2]" 1
293 1 51 GLU HB2 1 52 LEU H . . 4.300 2.740 2.643 2.824 . 0 0 "[ . 1 . 2]" 1
294 1 51 GLU HB3 1 52 LEU H . . 4.300 3.697 3.619 3.749 . 0 0 "[ . 1 . 2]" 1
295 1 51 GLU H 1 52 LEU H . . 3.300 2.555 2.522 2.630 . 0 0 "[ . 1 . 2]" 1
296 1 52 LEU H 1 52 LEU HB2 . . 3.300 2.381 2.324 2.430 . 0 0 "[ . 1 . 2]" 1
297 1 52 LEU H 1 52 LEU HB3 . . 3.300 2.859 2.770 2.929 . 0 0 "[ . 1 . 2]" 1
298 1 47 ILE MD 1 52 LEU MD1 . . 6.800 2.647 2.414 2.922 . 0 0 "[ . 1 . 2]" 1
299 1 52 LEU HA 1 52 LEU MD1 . . 4.000 2.201 2.168 2.245 . 0 0 "[ . 1 . 2]" 1
300 1 52 LEU MD1 1 56 MET QG . . 6.300 3.964 3.707 4.448 . 0 0 "[ . 1 . 2]" 1
301 1 47 ILE MG 1 52 LEU MD2 . . 6.800 3.802 3.656 3.912 . 0 0 "[ . 1 . 2]" 1
302 1 49 ALA HA 1 52 LEU MD2 . . 6.300 3.695 3.531 3.920 . 0 0 "[ . 1 . 2]" 1
303 1 49 ALA MB 1 52 LEU MD2 . . 6.800 4.505 4.323 4.717 . 0 0 "[ . 1 . 2]" 1
304 1 52 LEU MD2 1 56 MET ME . . 6.800 2.243 2.131 2.420 . 0 0 "[ . 1 . 2]" 1
305 1 53 LYS H 1 53 LYS HA . . 3.000 2.851 2.828 2.887 . 0 0 "[ . 1 . 2]" 1
306 1 53 LYS HA 1 63 PRO HG3 . . 4.000 3.977 3.835 4.042 0.042 6 0 "[ . 1 . 2]" 1
307 1 53 LYS HA 1 68 ILE MD . . 4.500 3.467 2.968 3.768 . 0 0 "[ . 1 . 2]" 1
308 1 53 LYS HA 1 68 ILE MG . . 6.300 3.892 3.496 4.470 . 0 0 "[ . 1 . 2]" 1
309 1 52 LEU HA 1 53 LYS H . . 4.300 3.603 3.587 3.650 . 0 0 "[ . 1 . 2]" 1
310 1 52 LEU H 1 53 LYS H . . 4.300 2.745 2.675 2.863 . 0 0 "[ . 1 . 2]" 1
311 1 53 LYS H 1 54 VAL H . . 4.300 2.827 2.743 2.881 . 0 0 "[ . 1 . 2]" 1
312 1 53 LYS QB 1 56 MET ME . . 4.500 3.347 3.045 3.392 . 0 0 "[ . 1 . 2]" 1
313 1 53 LYS QB 1 68 ILE MD . . 6.300 3.884 2.821 4.379 . 0 0 "[ . 1 . 2]" 1
314 1 53 LYS HA 1 53 LYS QG . . 3.500 2.545 2.342 3.248 . 0 0 "[ . 1 . 2]" 1
315 1 54 VAL HA 1 57 ARG QG . . 5.800 3.629 2.826 4.295 . 0 0 "[ . 1 . 2]" 1
316 1 51 GLU HA 1 54 VAL H . . 5.800 3.343 3.240 3.475 . 0 0 "[ . 1 . 2]" 1
317 1 53 LYS HA 1 54 VAL H . . 5.800 3.605 3.571 3.618 . 0 0 "[ . 1 . 2]" 1
318 1 53 LYS QB 1 54 VAL H . . 5.800 2.758 2.532 3.674 . 0 0 "[ . 1 . 2]" 1
319 1 54 VAL H 1 54 VAL HB . . 3.300 2.403 2.361 2.453 . 0 0 "[ . 1 . 2]" 1
320 1 54 VAL H 1 54 VAL MG2 . . 4.800 2.297 2.252 2.376 . 0 0 "[ . 1 . 2]" 1
321 1 54 VAL H 1 55 ALA H . . 4.300 2.847 2.785 2.902 . 0 0 "[ . 1 . 2]" 1
322 1 38 LEU MD2 1 54 VAL MG1 . . 6.800 4.634 4.302 4.747 . 0 0 "[ . 1 . 2]" 1
323 1 54 VAL MG1 1 55 ALA H . . 6.300 3.150 3.025 3.290 . 0 0 "[ . 1 . 2]" 1
324 1 50 LYS HA 1 54 VAL MG2 . . 6.300 4.222 3.993 4.365 . 0 0 "[ . 1 . 2]" 1
325 1 50 LYS QB 1 54 VAL MG2 . . 6.300 3.772 3.593 4.441 . 0 0 "[ . 1 . 2]" 1
326 1 51 GLU HA 1 54 VAL MG2 . . 6.300 3.109 2.985 3.277 . 0 0 "[ . 1 . 2]" 1
327 1 53 LYS QD 1 54 VAL MG2 . . 6.300 4.069 2.772 4.646 . 0 0 "[ . 1 . 2]" 1
328 1 53 LYS QG 1 54 VAL MG2 . . 6.300 4.022 2.814 4.692 . 0 0 "[ . 1 . 2]" 1
329 1 54 VAL MG1 1 55 ALA HA . . 6.300 3.319 3.181 3.400 . 0 0 "[ . 1 . 2]" 1
330 1 52 LEU HA 1 55 ALA H . . 4.300 3.234 3.138 3.294 . 0 0 "[ . 1 . 2]" 1
331 1 54 VAL HA 1 55 ALA H . . 4.300 3.603 3.589 3.617 . 0 0 "[ . 1 . 2]" 1
332 1 54 VAL HB 1 55 ALA H . . 3.300 2.619 2.560 2.744 . 0 0 "[ . 1 . 2]" 1
333 1 54 VAL QG 1 55 ALA H . . 6.300 3.040 2.938 3.157 . 0 0 "[ . 1 . 2]" 1
334 1 39 PHE HA 1 55 ALA MB . . 6.300 3.950 3.751 4.177 . 0 0 "[ . 1 . 2]" 1
335 1 39 PHE HB2 1 55 ALA MB . . 6.300 3.800 3.566 3.981 . 0 0 "[ . 1 . 2]" 1
336 1 39 PHE HB3 1 55 ALA MB . . 6.300 2.643 2.363 2.856 . 0 0 "[ . 1 . 2]" 1
337 1 39 PHE QD 1 55 ALA MB . . 6.300 2.794 2.730 2.856 . 0 0 "[ . 1 . 2]" 1
338 1 52 LEU HA 1 55 ALA MB . . 4.500 2.341 2.279 2.468 . 0 0 "[ . 1 . 2]" 1
339 1 52 LEU MD1 1 55 ALA MB . . 6.800 2.908 2.811 3.040 . 0 0 "[ . 1 . 2]" 1
340 1 54 VAL MG1 1 55 ALA MB . . 6.800 3.929 3.787 4.020 . 0 0 "[ . 1 . 2]" 1
341 1 55 ALA MB 1 58 ALA MB . . 6.800 3.893 3.713 4.027 . 0 0 "[ . 1 . 2]" 1
342 1 55 ALA MB 1 59 LEU MD1 . . 6.800 2.883 2.677 3.240 . 0 0 "[ . 1 . 2]" 1
343 1 52 LEU HA 1 56 MET H . . 5.800 3.901 3.833 3.950 . 0 0 "[ . 1 . 2]" 1
344 1 52 LEU HG 1 56 MET H . . 5.800 3.970 3.833 4.099 . 0 0 "[ . 1 . 2]" 1
345 1 53 LYS HA 1 56 MET H . . 4.300 3.387 3.146 3.597 . 0 0 "[ . 1 . 2]" 1
346 1 54 VAL H 1 56 MET H . . 5.800 4.404 4.283 4.512 . 0 0 "[ . 1 . 2]" 1
347 1 55 ALA HA 1 56 MET H . . 4.300 3.595 3.581 3.602 . 0 0 "[ . 1 . 2]" 1
348 1 55 ALA H 1 56 MET H . . 3.300 2.912 2.860 2.982 . 0 0 "[ . 1 . 2]" 1
349 1 55 ALA MB 1 56 MET H . . 4.800 2.364 2.301 2.456 . 0 0 "[ . 1 . 2]" 1
350 1 56 MET H 1 56 MET QB . . 3.300 2.245 2.108 2.310 . 0 0 "[ . 1 . 2]" 1
351 1 56 MET H 1 56 MET ME . . 6.300 3.287 3.131 3.478 . 0 0 "[ . 1 . 2]" 1
352 1 56 MET H 1 56 MET QG . . 3.300 2.503 2.309 2.945 . 0 0 "[ . 1 . 2]" 1
353 1 56 MET QB 1 61 PHE HB2 . . 4.000 2.170 2.102 2.243 . 0 0 "[ . 1 . 2]" 1
354 1 56 MET ME 1 59 LEU MD1 . . 6.800 4.760 4.726 4.781 . 0 0 "[ . 1 . 2]" 1
355 1 56 MET HA 1 56 MET QG . . 4.000 2.174 2.123 2.219 . 0 0 "[ . 1 . 2]" 1
356 1 57 ARG HA 1 57 ARG QG . . 3.500 2.749 2.147 3.152 . 0 0 "[ . 1 . 2]" 1
357 1 54 VAL HA 1 57 ARG H . . 5.800 3.440 3.301 3.567 . 0 0 "[ . 1 . 2]" 1
358 1 56 MET H 1 57 ARG H . . 4.300 2.821 2.778 2.897 . 0 0 "[ . 1 . 2]" 1
359 1 54 VAL HA 1 57 ARG QB . . 5.800 2.551 2.184 2.735 . 0 0 "[ . 1 . 2]" 1
360 1 54 VAL HA 1 57 ARG QD . . 5.800 5.052 4.426 5.262 . 0 0 "[ . 1 . 2]" 1
361 1 57 ARG HA 1 57 ARG QD . . 4.000 2.712 2.001 3.653 . 0 0 "[ . 1 . 2]" 1
362 1 54 VAL HA 1 58 ALA H . . 5.800 3.977 3.801 4.076 . 0 0 "[ . 1 . 2]" 1
363 1 54 VAL MG1 1 58 ALA H . . 6.300 3.910 3.799 4.005 . 0 0 "[ . 1 . 2]" 1
364 1 55 ALA HA 1 58 ALA H . . 4.300 3.508 3.291 3.664 . 0 0 "[ . 1 . 2]" 1
365 1 55 ALA MB 1 58 ALA H . . 6.300 4.643 4.488 4.743 . 0 0 "[ . 1 . 2]" 1
366 1 56 MET HA 1 58 ALA H . . 5.800 4.511 4.334 4.626 . 0 0 "[ . 1 . 2]" 1
367 1 57 ARG HA 1 58 ALA H . . 4.300 3.601 3.574 3.622 . 0 0 "[ . 1 . 2]" 1
368 1 57 ARG QB 1 58 ALA H . . 3.300 2.518 2.265 2.733 . 0 0 "[ . 1 . 2]" 1
369 1 39 PHE QD 1 58 ALA MB . . 6.300 4.372 3.969 4.682 . 0 0 "[ . 1 . 2]" 1
370 1 39 PHE QE 1 58 ALA MB . . 6.300 2.977 2.599 3.367 . 0 0 "[ . 1 . 2]" 1
371 1 54 VAL MG1 1 58 ALA MB . . 6.800 3.328 3.057 3.438 . 0 0 "[ . 1 . 2]" 1
372 1 55 ALA HA 1 58 ALA MB . . 4.500 2.667 2.552 2.748 . 0 0 "[ . 1 . 2]" 1
373 1 56 MET HA 1 59 LEU HB2 . . 4.000 2.232 2.180 2.445 . 0 0 "[ . 1 . 2]" 1
374 1 56 MET HA 1 59 LEU HB3 . . 4.000 3.844 3.740 4.002 0.002 11 0 "[ . 1 . 2]" 1
375 1 58 ALA MB 1 59 LEU HG . . 6.300 3.311 3.198 3.438 . 0 0 "[ . 1 . 2]" 1
376 1 59 LEU HA 1 59 LEU HG . . 3.500 2.891 2.807 2.995 . 0 0 "[ . 1 . 2]" 1
377 1 56 MET HA 1 59 LEU H . . 4.300 3.194 3.005 3.501 . 0 0 "[ . 1 . 2]" 1
378 1 58 ALA HA 1 59 LEU H . . 5.800 3.565 3.554 3.583 . 0 0 "[ . 1 . 2]" 1
379 1 58 ALA H 1 59 LEU H . . 3.300 2.752 2.692 2.794 . 0 0 "[ . 1 . 2]" 1
380 1 58 ALA MB 1 59 LEU H . . 4.800 2.622 2.493 2.683 . 0 0 "[ . 1 . 2]" 1
381 1 59 LEU H 1 59 LEU HB2 . . 3.300 2.387 2.310 2.463 . 0 0 "[ . 1 . 2]" 1
382 1 56 MET HA 1 59 LEU MD1 . . 6.300 2.176 2.081 2.382 . 0 0 "[ . 1 . 2]" 1
383 1 55 ALA MB 1 59 LEU MD2 . . 6.800 4.414 4.292 4.567 . 0 0 "[ . 1 . 2]" 1
384 1 58 ALA MB 1 59 LEU MD2 . . 6.800 4.170 4.041 4.349 . 0 0 "[ . 1 . 2]" 1
385 1 59 LEU HA 1 59 LEU MD2 . . 4.000 2.243 2.211 2.266 . 0 0 "[ . 1 . 2]" 1
386 1 57 ARG HA 1 60 GLY H . . 4.300 3.480 3.234 3.686 . 0 0 "[ . 1 . 2]" 1
387 1 59 LEU HA 1 60 GLY H . . 4.300 3.391 3.337 3.536 . 0 0 "[ . 1 . 2]" 1
388 1 59 LEU HB2 1 60 GLY H . . 4.300 3.536 2.899 3.677 . 0 0 "[ . 1 . 2]" 1
389 1 59 LEU HB3 1 60 GLY H . . 4.300 4.252 3.771 4.322 0.022 2 0 "[ . 1 . 2]" 1
390 1 59 LEU QD 1 60 GLY H . . 6.300 4.526 4.250 4.561 . 0 0 "[ . 1 . 2]" 1
391 1 56 MET ME 1 61 PHE HB2 . . 6.300 4.895 4.791 5.014 . 0 0 "[ . 1 . 2]" 1
392 1 61 PHE HB2 1 63 PRO QD . . 5.800 3.444 3.068 3.680 . 0 0 "[ . 1 . 2]" 1
393 1 56 MET ME 1 61 PHE HB3 . . 6.300 5.209 5.066 5.276 . 0 0 "[ . 1 . 2]" 1
394 1 61 PHE HB3 1 63 PRO QD . . 4.000 3.587 3.566 3.607 . 0 0 "[ . 1 . 2]" 1
395 1 57 ARG HA 1 61 PHE H . . 3.300 3.179 2.932 3.330 0.030 18 0 "[ . 1 . 2]" 1
396 1 59 LEU HB2 1 61 PHE H . . 4.300 3.368 3.250 3.476 . 0 0 "[ . 1 . 2]" 1
397 1 59 LEU HB3 1 61 PHE H . . 4.300 4.272 4.105 4.321 0.021 12 0 "[ . 1 . 2]" 1
398 1 60 GLY H 1 61 PHE H . . 3.300 2.473 2.073 2.590 . 0 0 "[ . 1 . 2]" 1
399 1 60 GLY QA 1 61 PHE H . . 4.300 2.907 2.840 2.977 . 0 0 "[ . 1 . 2]" 1
400 1 61 PHE H 1 61 PHE HB2 . . 3.300 2.328 2.277 2.426 . 0 0 "[ . 1 . 2]" 1
401 1 61 PHE H 1 61 PHE QD . . 4.300 2.504 2.210 2.804 . 0 0 "[ . 1 . 2]" 1
402 1 56 MET HA 1 61 PHE QD . . 5.800 3.420 2.467 3.917 . 0 0 "[ . 1 . 2]" 1
403 1 56 MET QB 1 61 PHE QD . . 4.500 2.989 2.354 3.595 . 0 0 "[ . 1 . 2]" 1
404 1 59 LEU MD1 1 61 PHE QD . . 6.300 3.826 3.078 4.174 . 0 0 "[ . 1 . 2]" 1
405 1 59 LEU HB3 1 61 PHE QE . . 4.500 2.557 2.431 2.648 . 0 0 "[ . 1 . 2]" 1
406 1 59 LEU MD1 1 61 PHE QE . . 6.300 3.065 2.663 3.353 . 0 0 "[ . 1 . 2]" 1
407 1 59 LEU MD2 1 61 PHE QE . . 6.300 3.752 3.534 3.972 . 0 0 "[ . 1 . 2]" 1
408 1 61 PHE HB2 1 62 GLU H . . 4.300 3.680 3.433 3.845 . 0 0 "[ . 1 . 2]" 1
409 1 61 PHE HB3 1 62 GLU H . . 4.300 2.410 2.086 2.584 . 0 0 "[ . 1 . 2]" 1
410 1 61 PHE QD 1 62 GLU H . . 5.800 3.966 3.228 4.352 . 0 0 "[ . 1 . 2]" 1
411 1 62 GLU H 1 62 GLU QB . . 3.300 2.531 2.387 2.982 . 0 0 "[ . 1 . 2]" 1
412 1 62 GLU H 1 63 PRO QD . . 5.800 3.685 3.511 3.839 . 0 0 "[ . 1 . 2]" 1
413 1 56 MET ME 1 63 PRO HA . . 6.300 4.504 4.275 4.919 . 0 0 "[ . 1 . 2]" 1
414 1 63 PRO HA 1 68 ILE MG . . 6.300 4.298 4.080 4.819 . 0 0 "[ . 1 . 2]" 1
415 1 63 PRO HA 1 63 PRO HG2 . . 4.000 3.833 3.813 3.904 . 0 0 "[ . 1 . 2]" 1
416 1 63 PRO HA 1 63 PRO HG3 . . 4.000 3.129 2.705 4.050 0.050 7 0 "[ . 1 . 2]" 1
417 1 63 PRO QB 1 68 ILE MG . . 6.300 3.405 3.025 3.805 . 0 0 "[ . 1 . 2]" 1
418 1 62 GLU HA 1 63 PRO QD . . 3.500 2.142 2.109 2.170 . 0 0 "[ . 1 . 2]" 1
419 1 63 PRO HA 1 64 LYS H . . 3.300 2.439 2.228 2.557 . 0 0 "[ . 1 . 2]" 1
420 1 64 LYS H 1 64 LYS QB . . 3.300 2.409 2.142 2.761 . 0 0 "[ . 1 . 2]" 1
421 1 64 LYS H 1 64 LYS QG . . 4.300 2.418 2.122 3.888 . 0 0 "[ . 1 . 2]" 1
422 1 64 LYS QB 1 67 GLU QG . . 5.800 3.114 2.316 3.887 . 0 0 "[ . 1 . 2]" 1
423 1 64 LYS HA 1 64 LYS QG . . 3.500 2.544 2.320 3.116 . 0 0 "[ . 1 . 2]" 1
424 1 65 LYS HA 1 68 ILE MD . . 6.300 4.741 4.574 5.219 . 0 0 "[ . 1 . 2]" 1
425 1 65 LYS HA 1 68 ILE MG . . 6.300 3.578 3.393 3.969 . 0 0 "[ . 1 . 2]" 1
426 1 65 LYS HA 1 66 GLU H . . 5.800 3.608 3.558 3.639 . 0 0 "[ . 1 . 2]" 1
427 1 65 LYS QB 1 66 GLU H . . 5.800 2.620 2.303 3.453 . 0 0 "[ . 1 . 2]" 1
428 1 52 LEU MD2 1 68 ILE HA . . 6.300 5.237 4.897 5.277 . 0 0 "[ . 1 . 2]" 1
429 1 56 MET ME 1 68 ILE HA . . 6.300 3.797 3.402 4.045 . 0 0 "[ . 1 . 2]" 1
430 1 68 ILE HA 1 68 ILE QG . . 4.000 2.745 2.685 2.837 . 0 0 "[ . 1 . 2]" 1
431 1 68 ILE HA 1 71 MET QB . . 3.500 2.733 2.313 3.056 . 0 0 "[ . 1 . 2]" 1
432 1 65 LYS HA 1 68 ILE HB . . 3.500 2.456 2.301 2.829 . 0 0 "[ . 1 . 2]" 1
433 1 65 LYS HA 1 68 ILE H . . 4.300 3.716 3.581 3.904 . 0 0 "[ . 1 . 2]" 1
434 1 67 GLU HA 1 68 ILE H . . 4.300 3.564 3.549 3.590 . 0 0 "[ . 1 . 2]" 1
435 1 67 GLU H 1 68 ILE H . . 3.300 2.517 2.382 2.746 . 0 0 "[ . 1 . 2]" 1
436 1 67 GLU QB 1 68 ILE H . . 4.300 2.551 2.390 2.664 . 0 0 "[ . 1 . 2]" 1
437 1 67 GLU QG 1 68 ILE H . . 5.800 4.088 3.712 4.529 . 0 0 "[ . 1 . 2]" 1
438 1 68 ILE H 1 68 ILE HB . . 3.300 2.367 2.319 2.441 . 0 0 "[ . 1 . 2]" 1
439 1 68 ILE H 1 68 ILE QG . . 3.300 2.228 2.168 2.310 . 0 0 "[ . 1 . 2]" 1
440 1 52 LEU HB3 1 68 ILE MD . . 6.300 5.226 4.750 5.286 . 0 0 "[ . 1 . 2]" 1
441 1 52 LEU HG 1 68 ILE MD . . 6.300 5.149 4.883 5.256 . 0 0 "[ . 1 . 2]" 1
442 1 52 LEU MD2 1 68 ILE MD . . 6.800 4.155 3.955 4.425 . 0 0 "[ . 1 . 2]" 1
443 1 53 LYS QG 1 68 ILE MD . . 6.300 3.753 2.568 4.699 . 0 0 "[ . 1 . 2]" 1
444 1 56 MET ME 1 68 ILE MD . . 6.800 1.987 1.917 2.100 . 0 0 "[ . 1 . 2]" 1
445 1 56 MET QG 1 68 ILE MD . . 6.300 3.954 3.822 4.214 . 0 0 "[ . 1 . 2]" 1
446 1 63 PRO HA 1 68 ILE MD . . 6.300 2.243 2.128 2.467 . 0 0 "[ . 1 . 2]" 1
447 1 63 PRO HG2 1 68 ILE MD . . 6.300 4.675 4.141 4.953 . 0 0 "[ . 1 . 2]" 1
448 1 63 PRO HG3 1 68 ILE MD . . 6.300 3.671 2.970 4.687 . 0 0 "[ . 1 . 2]" 1
449 1 63 PRO QB 1 68 ILE MD . . 4.500 2.841 2.107 3.326 . 0 0 "[ . 1 . 2]" 1
450 1 68 ILE HA 1 68 ILE MD . . 4.000 2.194 2.123 2.254 . 0 0 "[ . 1 . 2]" 1
451 1 52 LEU MD2 1 68 ILE MG . . 6.800 3.750 3.385 4.095 . 0 0 "[ . 1 . 2]" 1
452 1 53 LYS QB 1 68 ILE MG . . 6.300 3.131 2.291 3.699 . 0 0 "[ . 1 . 2]" 1
453 1 68 ILE MG 1 69 LYS HA . . 6.300 3.307 3.184 3.431 . 0 0 "[ . 1 . 2]" 1
454 1 69 LYS HA 1 69 LYS QG . . 3.500 2.514 2.281 3.108 . 0 0 "[ . 1 . 2]" 1
455 1 66 GLU HA 1 69 LYS H . . 4.300 3.622 3.408 3.939 . 0 0 "[ . 1 . 2]" 1
456 1 68 ILE HA 1 69 LYS H . . 4.300 3.616 3.597 3.630 . 0 0 "[ . 1 . 2]" 1
457 1 68 ILE HB 1 69 LYS H . . 3.300 2.536 2.406 2.689 . 0 0 "[ . 1 . 2]" 1
458 1 68 ILE MG 1 69 LYS H . . 6.300 3.087 2.919 3.261 . 0 0 "[ . 1 . 2]" 1
459 1 69 LYS H 1 69 LYS QB . . 3.300 2.288 2.099 2.405 . 0 0 "[ . 1 . 2]" 1
460 1 69 LYS H 1 69 LYS QG . . 4.300 2.881 2.299 3.911 . 0 0 "[ . 1 . 2]" 1
461 1 70 LYS H 1 70 LYS QB . . 3.300 2.330 2.096 2.529 . 0 0 "[ . 1 . 2]" 1
462 1 67 GLU HA 1 70 LYS QB . . 3.500 2.579 2.410 3.041 . 0 0 "[ . 1 . 2]" 1
463 1 71 MET HA 1 71 MET QG . . 3.500 2.375 2.249 2.573 . 0 0 "[ . 1 . 2]" 1
464 1 68 ILE HA 1 71 MET H . . 4.300 3.722 3.510 3.921 . 0 0 "[ . 1 . 2]" 1
465 1 70 LYS H 1 71 MET H . . 3.300 2.938 2.842 2.987 . 0 0 "[ . 1 . 2]" 1
466 1 71 MET H 1 71 MET QG . . 4.300 3.879 3.862 3.894 . 0 0 "[ . 1 . 2]" 1
467 1 52 LEU MD1 1 71 MET ME . . 6.800 3.984 3.541 4.694 . 0 0 "[ . 1 . 2]" 1
468 1 52 LEU MD2 1 71 MET ME . . 6.800 2.400 2.124 3.039 . 0 0 "[ . 1 . 2]" 1
469 1 68 ILE HA 1 71 MET ME . . 6.300 3.586 3.081 4.965 . 0 0 "[ . 1 . 2]" 1
470 1 68 ILE MD 1 71 MET ME . . 6.800 3.231 2.689 4.032 . 0 0 "[ . 1 . 2]" 1
471 1 68 ILE MG 1 71 MET ME . . 6.800 3.803 2.885 4.730 . 0 0 "[ . 1 . 2]" 1
472 1 71 MET ME 1 75 ILE MD . . 6.800 4.421 3.619 4.729 . 0 0 "[ . 1 . 2]" 1
473 1 71 MET ME 1 75 ILE MG . . 6.800 4.491 3.996 4.725 . 0 0 "[ . 1 . 2]" 1
474 1 71 MET QG 1 75 ILE MD . . 6.300 3.607 3.289 3.929 . 0 0 "[ . 1 . 2]" 1
475 1 72 ILE HA 1 72 ILE QG . . 3.500 2.271 2.238 2.304 . 0 0 "[ . 1 . 2]" 1
476 1 72 ILE HA 1 75 ILE QG . . 4.000 3.578 3.499 3.594 . 0 0 "[ . 1 . 2]" 1
477 1 69 LYS HA 1 72 ILE HB . . 3.500 2.643 2.374 2.984 . 0 0 "[ . 1 . 2]" 1
478 1 68 ILE HA 1 72 ILE H . . 5.800 3.736 3.584 3.860 . 0 0 "[ . 1 . 2]" 1
479 1 69 LYS HA 1 72 ILE H . . 4.300 3.735 3.526 3.957 . 0 0 "[ . 1 . 2]" 1
480 1 71 MET HA 1 72 ILE H . . 4.300 3.608 3.600 3.617 . 0 0 "[ . 1 . 2]" 1
481 1 71 MET H 1 72 ILE H . . 3.300 2.931 2.865 3.013 . 0 0 "[ . 1 . 2]" 1
482 1 71 MET QB 1 72 ILE H . . 4.300 2.340 2.248 2.415 . 0 0 "[ . 1 . 2]" 1
483 1 72 ILE H 1 72 ILE HB . . 3.300 2.362 2.321 2.405 . 0 0 "[ . 1 . 2]" 1
484 1 72 ILE H 1 72 ILE QG . . 3.300 2.303 2.249 2.347 . 0 0 "[ . 1 . 2]" 1
485 1 72 ILE H 1 72 ILE MG . . 4.800 3.763 3.747 3.778 . 0 0 "[ . 1 . 2]" 1
486 1 49 ALA HA 1 72 ILE MD . . 4.000 2.521 2.197 2.996 . 0 0 "[ . 1 . 2]" 1
487 1 49 ALA MB 1 72 ILE MD . . 5.000 2.286 2.129 2.480 . 0 0 "[ . 1 . 2]" 1
488 1 68 ILE MG 1 72 ILE MD . . 6.800 2.041 1.969 2.112 . 0 0 "[ . 1 . 2]" 1
489 1 69 LYS HA 1 72 ILE MD . . 6.300 3.055 2.549 3.741 . 0 0 "[ . 1 . 2]" 1
490 1 52 LEU MD2 1 72 ILE QG . . 4.500 2.145 2.052 2.219 . 0 0 "[ . 1 . 2]" 1
491 1 56 MET ME 1 72 ILE QG . . 4.500 3.217 2.835 3.356 . 0 0 "[ . 1 . 2]" 1
492 1 68 ILE MG 1 72 ILE QG . . 6.300 2.833 2.621 3.005 . 0 0 "[ . 1 . 2]" 1
493 1 49 ALA MB 1 72 ILE MG . . 6.800 2.708 2.281 3.075 . 0 0 "[ . 1 . 2]" 1
494 1 69 LYS HA 1 72 ILE MG . . 6.300 3.819 3.573 4.124 . 0 0 "[ . 1 . 2]" 1
495 1 72 ILE MG 1 76 ASP HB3 . . 6.300 3.484 3.174 4.015 . 0 0 "[ . 1 . 2]" 1
496 1 72 ILE MG 1 83 ILE QG . . 6.300 3.438 3.125 3.758 . 0 0 "[ . 1 . 2]" 1
497 1 72 ILE MG 1 73 SER HA . . 6.300 3.207 3.134 3.332 . 0 0 "[ . 1 . 2]" 1
498 1 72 ILE HA 1 73 SER H . . 4.300 3.614 3.588 3.638 . 0 0 "[ . 1 . 2]" 1
499 1 72 ILE HB 1 73 SER H . . 3.300 2.699 2.633 2.778 . 0 0 "[ . 1 . 2]" 1
500 1 72 ILE H 1 73 SER H . . 3.300 2.900 2.861 2.928 . 0 0 "[ . 1 . 2]" 1
501 1 72 ILE QG 1 73 SER H . . 5.800 4.261 4.228 4.306 . 0 0 "[ . 1 . 2]" 1
502 1 72 ILE MG 1 73 SER H . . 6.300 3.121 3.037 3.275 . 0 0 "[ . 1 . 2]" 1
503 1 73 SER H 1 73 SER QB . . 3.300 2.534 2.306 2.591 . 0 0 "[ . 1 . 2]" 1
504 1 73 SER H 1 74 GLU H . . 3.300 2.828 2.788 2.870 . 0 0 "[ . 1 . 2]" 1
505 1 70 LYS HA 1 73 SER QB . . 3.500 2.904 2.767 3.170 . 0 0 "[ . 1 . 2]" 1
506 1 72 ILE HA 1 74 GLU H . . 5.800 4.617 4.527 4.685 . 0 0 "[ . 1 . 2]" 1
507 1 73 SER HA 1 74 GLU H . . 4.300 3.597 3.566 3.611 . 0 0 "[ . 1 . 2]" 1
508 1 73 SER QB 1 74 GLU H . . 4.300 2.642 2.501 3.479 . 0 0 "[ . 1 . 2]" 1
509 1 74 GLU H 1 74 GLU QG . . 3.300 2.288 2.257 2.330 . 0 0 "[ . 1 . 2]" 1
510 1 74 GLU HA 1 74 GLU QG . . 3.500 2.546 2.335 3.022 . 0 0 "[ . 1 . 2]" 1
511 1 75 ILE HA 1 76 ASP H . . 4.000 3.558 3.538 3.581 . 0 0 "[ . 1 . 2]" 1
512 1 72 ILE HA 1 75 ILE HB . . 3.500 2.858 2.739 2.939 . 0 0 "[ . 1 . 2]" 1
513 1 72 ILE HA 1 75 ILE H . . 4.300 3.539 3.455 3.588 . 0 0 "[ . 1 . 2]" 1
514 1 74 GLU HA 1 75 ILE H . . 4.300 3.595 3.582 3.606 . 0 0 "[ . 1 . 2]" 1
515 1 74 GLU QB 1 75 ILE H . . 4.300 2.592 2.516 2.709 . 0 0 "[ . 1 . 2]" 1
516 1 75 ILE H 1 75 ILE HB . . 3.300 2.444 2.362 2.514 . 0 0 "[ . 1 . 2]" 1
517 1 75 ILE H 1 75 ILE QG . . 3.300 2.267 2.206 2.325 . 0 0 "[ . 1 . 2]" 1
518 1 71 MET HA 1 75 ILE MD . . 6.300 4.755 4.497 4.964 . 0 0 "[ . 1 . 2]" 1
519 1 75 ILE HA 1 75 ILE MD . . 4.500 2.168 2.142 2.212 . 0 0 "[ . 1 . 2]" 1
520 1 75 ILE HA 1 75 ILE QG . . 4.000 3.019 2.917 3.081 . 0 0 "[ . 1 . 2]" 1
521 1 72 ILE HA 1 75 ILE MG . . 6.300 4.212 4.045 4.329 . 0 0 "[ . 1 . 2]" 1
522 1 72 ILE MG 1 76 ASP HA . . 6.300 4.901 4.646 5.039 . 0 0 "[ . 1 . 2]" 1
523 1 75 ILE MG 1 76 ASP HA . . 6.300 3.509 3.341 3.673 . 0 0 "[ . 1 . 2]" 1
524 1 76 ASP H 1 76 ASP HA . . 3.000 2.892 2.839 2.937 . 0 0 "[ . 1 . 2]" 1
525 1 72 ILE MG 1 76 ASP HB2 . . 4.500 2.913 2.610 3.059 . 0 0 "[ . 1 . 2]" 1
526 1 73 SER HA 1 76 ASP HB3 . . 4.000 2.557 2.409 2.761 . 0 0 "[ . 1 . 2]" 1
527 1 76 ASP HB3 1 83 ILE MD . . 6.300 3.844 3.614 5.095 . 0 0 "[ . 1 . 2]" 1
528 1 72 ILE HA 1 76 ASP H . . 4.300 3.923 3.848 4.045 . 0 0 "[ . 1 . 2]" 1
529 1 73 SER HA 1 76 ASP H . . 3.300 3.337 3.314 3.355 0.055 11 0 "[ . 1 . 2]" 1
530 1 75 ILE HB 1 76 ASP H . . 3.300 2.913 2.867 2.985 . 0 0 "[ . 1 . 2]" 1
531 1 75 ILE H 1 76 ASP H . . 3.300 2.585 2.506 2.629 . 0 0 "[ . 1 . 2]" 1
532 1 75 ILE MD 1 76 ASP H . . 6.300 4.786 4.671 4.897 . 0 0 "[ . 1 . 2]" 1
533 1 75 ILE QG 1 76 ASP H . . 5.800 4.209 4.165 4.282 . 0 0 "[ . 1 . 2]" 1
534 1 75 ILE MG 1 76 ASP H . . 6.300 3.645 3.567 3.746 . 0 0 "[ . 1 . 2]" 1
535 1 76 ASP H 1 76 ASP HB2 . . 3.300 2.574 2.418 2.687 . 0 0 "[ . 1 . 2]" 1
536 1 76 ASP H 1 76 ASP HB3 . . 3.300 2.465 2.396 2.604 . 0 0 "[ . 1 . 2]" 1
537 1 77 LYS HA 1 77 LYS QD . . 3.500 2.417 2.172 3.156 . 0 0 "[ . 1 . 2]" 1
538 1 76 ASP HA 1 77 LYS H . . 3.300 2.394 2.219 2.775 . 0 0 "[ . 1 . 2]" 1
539 1 76 ASP HB2 1 77 LYS H . . 5.800 4.615 4.534 4.694 . 0 0 "[ . 1 . 2]" 1
540 1 77 LYS H 1 77 LYS QB . . 3.300 2.458 2.093 2.679 . 0 0 "[ . 1 . 2]" 1
541 1 77 LYS H 1 77 LYS QD . . 5.800 3.394 2.094 4.640 . 0 0 "[ . 1 . 2]" 1
542 1 77 LYS H 1 77 LYS QG . . 4.300 2.550 2.012 3.911 . 0 0 "[ . 1 . 2]" 1
543 1 77 LYS H 1 79 GLY H . . 4.300 3.915 3.213 4.307 0.007 5 0 "[ . 1 . 2]" 1
544 1 77 LYS H 1 83 ILE MD . . 6.300 4.808 4.413 5.209 . 0 0 "[ . 1 . 2]" 1
545 1 77 LYS H 1 87 GLU QG . . 4.300 3.281 2.963 3.619 . 0 0 "[ . 1 . 2]" 1
546 1 77 LYS QB 1 78 ASP H . . 5.800 2.718 2.359 3.273 . 0 0 "[ . 1 . 2]" 1
547 1 77 LYS HA 1 77 LYS QG . . 4.000 3.087 2.458 3.223 . 0 0 "[ . 1 . 2]" 1
548 1 78 ASP H 1 78 ASP HA . . 3.000 2.991 2.950 3.009 0.009 3 0 "[ . 1 . 2]" 1
549 1 77 LYS H 1 78 ASP H . . 3.300 2.702 2.268 3.034 . 0 0 "[ . 1 . 2]" 1
550 1 78 ASP H 1 79 GLY QA . . 4.300 3.849 3.419 3.963 . 0 0 "[ . 1 . 2]" 1
551 1 76 ASP HB2 1 79 GLY H . . 5.800 4.910 4.302 5.299 . 0 0 "[ . 1 . 2]" 1
552 1 76 ASP HB3 1 79 GLY H . . 5.800 4.763 3.274 5.662 . 0 0 "[ . 1 . 2]" 1
553 1 77 LYS QB 1 79 GLY H . . 5.800 4.372 3.988 4.965 . 0 0 "[ . 1 . 2]" 1
554 1 78 ASP H 1 79 GLY H . . 3.300 2.022 1.826 2.348 . 0 0 "[ . 1 . 2]" 1
555 1 76 ASP HB3 1 80 SER H . . 5.800 4.714 4.306 5.099 . 0 0 "[ . 1 . 2]" 1
556 1 78 ASP H 1 80 SER H . . 4.300 4.041 3.569 4.353 0.053 2 0 "[ . 1 . 2]" 1
557 1 79 GLY H 1 80 SER H . . 3.300 2.915 2.169 3.194 . 0 0 "[ . 1 . 2]" 1
558 1 79 GLY QA 1 80 SER H . . 4.300 2.881 2.687 3.018 . 0 0 "[ . 1 . 2]" 1
559 1 80 SER H 1 81 GLY QA . . 5.800 4.829 4.278 5.051 . 0 0 "[ . 1 . 2]" 1
560 1 80 SER H 1 82 THR H . . 4.300 3.852 3.081 4.086 . 0 0 "[ . 1 . 2]" 1
561 1 72 ILE MG 1 81 GLY H . . 6.300 4.479 3.798 5.267 . 0 0 "[ . 1 . 2]" 1
562 1 79 GLY QA 1 81 GLY H . . 5.800 3.978 3.156 4.627 . 0 0 "[ . 1 . 2]" 1
563 1 80 SER H 1 81 GLY H . . 3.300 3.048 2.325 3.350 0.050 2 0 "[ . 1 . 2]" 1
564 1 72 ILE MG 1 81 GLY QA . . 6.300 3.647 2.405 4.169 . 0 0 "[ . 1 . 2]" 1
565 1 48 ASP HA 1 82 THR HA . . 3.500 2.363 2.179 3.052 . 0 0 "[ . 1 . 2]" 1
566 1 46 THR HA 1 82 THR HB . . 4.000 4.045 3.861 4.098 0.098 9 0 "[ . 1 . 2]" 1
567 1 46 THR MG 1 82 THR HB . . 4.500 3.554 2.576 3.770 . 0 0 "[ . 1 . 2]" 1
568 1 47 ILE H 1 82 THR HB . . 5.800 3.737 3.410 4.505 . 0 0 "[ . 1 . 2]" 1
569 1 81 GLY H 1 82 THR H . . 3.300 2.753 2.243 3.194 . 0 0 "[ . 1 . 2]" 1
570 1 81 GLY QA 1 82 THR H . . 4.300 2.891 2.742 2.989 . 0 0 "[ . 1 . 2]" 1
571 1 82 THR H 1 82 THR HB . . 4.300 3.799 3.726 3.912 . 0 0 "[ . 1 . 2]" 1
572 1 82 THR H 1 83 ILE MD . . 6.300 4.390 3.774 4.839 . 0 0 "[ . 1 . 2]" 1
573 1 48 ASP HA 1 82 THR MG . . 4.000 2.212 2.119 2.396 . 0 0 "[ . 1 . 2]" 1
574 1 48 ASP HB2 1 82 THR MG . . 4.500 3.040 2.791 3.382 . 0 0 "[ . 1 . 2]" 1
575 1 48 ASP HB3 1 82 THR MG . . 6.300 4.327 4.101 4.602 . 0 0 "[ . 1 . 2]" 1
576 1 82 THR MG 1 83 ILE H . . 6.300 3.901 3.624 4.150 . 0 0 "[ . 1 . 2]" 1
577 1 83 ILE HA 1 83 ILE QG . . 4.000 3.121 3.006 3.190 . 0 0 "[ . 1 . 2]" 1
578 1 47 ILE HB 1 83 ILE HB . . 3.500 2.268 2.160 2.365 . 0 0 "[ . 1 . 2]" 1
579 1 47 ILE MD 1 83 ILE HB . . 6.300 3.456 3.055 3.798 . 0 0 "[ . 1 . 2]" 1
580 1 47 ILE MG 1 83 ILE HB . . 6.300 3.470 2.985 3.811 . 0 0 "[ . 1 . 2]" 1
581 1 47 ILE HB 1 83 ILE H . . 4.300 3.221 3.055 3.411 . 0 0 "[ . 1 . 2]" 1
582 1 47 ILE H 1 83 ILE H . . 4.300 2.911 2.668 3.392 . 0 0 "[ . 1 . 2]" 1
583 1 82 THR HA 1 83 ILE H . . 3.300 2.366 2.138 2.531 . 0 0 "[ . 1 . 2]" 1
584 1 82 THR HB 1 83 ILE H . . 3.300 2.645 2.290 3.346 0.046 2 0 "[ . 1 . 2]" 1
585 1 83 ILE H 1 83 ILE HB . . 3.300 2.590 2.493 2.648 . 0 0 "[ . 1 . 2]" 1
586 1 83 ILE H 1 83 ILE QG . . 4.300 2.601 2.192 2.853 . 0 0 "[ . 1 . 2]" 1
587 1 83 ILE H 1 84 ASP H . . 5.800 4.252 4.159 4.380 . 0 0 "[ . 1 . 2]" 1
588 1 47 ILE HB 1 83 ILE MD . . 6.300 4.953 4.747 5.120 . 0 0 "[ . 1 . 2]" 1
589 1 52 LEU HB2 1 83 ILE MD . . 6.300 4.633 4.386 4.877 . 0 0 "[ . 1 . 2]" 1
590 1 52 LEU MD1 1 83 ILE MD . . 6.800 3.950 3.652 4.328 . 0 0 "[ . 1 . 2]" 1
591 1 76 ASP HA 1 83 ILE MD . . 6.300 3.018 2.613 3.721 . 0 0 "[ . 1 . 2]" 1
592 1 76 ASP HB2 1 83 ILE MD . . 6.300 2.402 2.192 3.670 . 0 0 "[ . 1 . 2]" 1
593 1 82 THR HA 1 83 ILE MD . . 6.300 4.061 3.532 4.414 . 0 0 "[ . 1 . 2]" 1
594 1 83 ILE HA 1 83 ILE MD . . 4.500 2.253 2.195 2.308 . 0 0 "[ . 1 . 2]" 1
595 1 75 ILE MG 1 83 ILE QG . . 6.300 3.589 3.373 3.850 . 0 0 "[ . 1 . 2]" 1
596 1 47 ILE HB 1 83 ILE MG . . 6.300 3.692 3.518 3.806 . 0 0 "[ . 1 . 2]" 1
597 1 47 ILE MD 1 83 ILE MG . . 6.800 3.651 3.406 3.908 . 0 0 "[ . 1 . 2]" 1
598 1 75 ILE MG 1 83 ILE MG . . 6.800 2.261 2.073 2.601 . 0 0 "[ . 1 . 2]" 1
599 1 83 ILE MG 1 87 GLU QB . . 6.300 2.112 2.020 2.232 . 0 0 "[ . 1 . 2]" 1
600 1 36 PHE HZ 1 84 ASP HA . . 3.500 2.999 2.704 3.504 0.004 19 0 "[ . 1 . 2]" 1
601 1 36 PHE QE 1 84 ASP HA . . 5.800 3.625 3.236 4.011 . 0 0 "[ . 1 . 2]" 1
602 1 46 THR HA 1 84 ASP HA . . 5.800 2.639 2.256 3.050 . 0 0 "[ . 1 . 2]" 1
603 1 46 THR HB 1 84 ASP HA . . 4.500 3.575 3.020 4.500 . 0 0 "[ . 1 . 2]" 1
604 1 46 THR MG 1 84 ASP HA . . 4.500 2.279 2.175 2.675 . 0 0 "[ . 1 . 2]" 1
605 1 83 ILE HA 1 84 ASP H . . 3.300 2.180 2.146 2.236 . 0 0 "[ . 1 . 2]" 1
606 1 83 ILE HB 1 84 ASP H . . 5.800 4.338 4.245 4.449 . 0 0 "[ . 1 . 2]" 1
607 1 83 ILE MD 1 84 ASP H . . 6.300 4.037 3.862 4.117 . 0 0 "[ . 1 . 2]" 1
608 1 83 ILE MG 1 84 ASP H . . 6.300 3.090 2.829 3.324 . 0 0 "[ . 1 . 2]" 1
609 1 84 ASP H 1 84 ASP HB2 . . 4.300 2.727 2.454 3.699 . 0 0 "[ . 1 . 2]" 1
610 1 84 ASP H 1 87 GLU H . . 5.800 3.929 3.821 4.066 . 0 0 "[ . 1 . 2]" 1
611 1 84 ASP H 1 87 GLU QB . . 4.300 2.592 2.467 3.071 . 0 0 "[ . 1 . 2]" 1
612 1 84 ASP H 1 87 GLU QG . . 5.800 3.433 3.349 3.809 . 0 0 "[ . 1 . 2]" 1
613 1 83 ILE MG 1 85 PHE HA . . 6.300 4.408 4.250 4.577 . 0 0 "[ . 1 . 2]" 1
614 1 36 PHE HZ 1 85 PHE H . . 4.300 2.756 2.605 2.985 . 0 0 "[ . 1 . 2]" 1
615 1 36 PHE QE 1 85 PHE H . . 5.800 3.452 3.348 3.593 . 0 0 "[ . 1 . 2]" 1
616 1 46 THR MG 1 85 PHE H . . 6.300 3.796 3.508 4.420 . 0 0 "[ . 1 . 2]" 1
617 1 84 ASP HA 1 85 PHE H . . 3.300 2.354 2.306 2.431 . 0 0 "[ . 1 . 2]" 1
618 1 85 PHE H 1 85 PHE QB . . 3.300 2.247 2.219 2.282 . 0 0 "[ . 1 . 2]" 1
619 1 32 ILE MG 1 85 PHE QD . . 6.300 3.813 3.538 4.090 . 0 0 "[ . 1 . 2]" 1
620 1 33 ARG HA 1 85 PHE QD . . 5.800 3.481 3.070 3.686 . 0 0 "[ . 1 . 2]" 1
621 1 33 ARG QB 1 85 PHE QD . . 5.800 4.597 4.516 4.652 . 0 0 "[ . 1 . 2]" 1
622 1 36 PHE HB2 1 85 PHE QD . . 4.500 2.909 2.700 3.165 . 0 0 "[ . 1 . 2]" 1
623 1 36 PHE HB3 1 85 PHE QD . . 5.800 3.145 2.966 3.315 . 0 0 "[ . 1 . 2]" 1
624 1 36 PHE QE 1 85 PHE QD . . 5.800 3.935 3.685 4.086 . 0 0 "[ . 1 . 2]" 1
625 1 85 PHE HA 1 85 PHE QD . . 3.500 2.368 2.276 2.609 . 0 0 "[ . 1 . 2]" 1
626 1 85 PHE QD 1 86 GLU HA . . 5.800 4.033 3.214 4.325 . 0 0 "[ . 1 . 2]" 1
627 1 85 PHE QD 1 86 GLU QG . . 5.800 3.290 2.879 3.585 . 0 0 "[ . 1 . 2]" 1
628 1 85 PHE QD 1 88 PHE QB . . 5.800 3.354 3.164 3.620 . 0 0 "[ . 1 . 2]" 1
629 1 85 PHE QD 1 89 LEU QD . . 6.300 3.980 3.688 4.165 . 0 0 "[ . 1 . 2]" 1
630 1 32 ILE HB 1 85 PHE QE . . 4.500 3.885 3.559 4.033 . 0 0 "[ . 1 . 2]" 1
631 1 32 ILE MG 1 85 PHE QE . . 5.000 2.344 2.201 2.755 . 0 0 "[ . 1 . 2]" 1
632 1 33 ARG HA 1 85 PHE QE . . 3.500 2.339 2.219 2.421 . 0 0 "[ . 1 . 2]" 1
633 1 33 ARG QB 1 85 PHE QE . . 5.800 3.046 2.829 3.497 . 0 0 "[ . 1 . 2]" 1
634 1 33 ARG QD 1 85 PHE QE . . 5.800 3.429 2.717 4.642 . 0 0 "[ . 1 . 2]" 1
635 1 36 PHE HB2 1 85 PHE QE . . 5.800 3.507 3.190 3.738 . 0 0 "[ . 1 . 2]" 1
636 1 36 PHE HB3 1 85 PHE QE . . 5.800 3.661 3.480 3.804 . 0 0 "[ . 1 . 2]" 1
637 1 85 PHE QE 1 86 GLU HA . . 5.800 4.798 4.164 5.162 . 0 0 "[ . 1 . 2]" 1
638 1 85 PHE QE 1 89 LEU QD . . 6.300 2.963 2.460 3.169 . 0 0 "[ . 1 . 2]" 1
639 1 86 GLU HA 1 89 LEU H . . 4.000 3.503 3.198 3.701 . 0 0 "[ . 1 . 2]" 1
640 1 86 GLU HA 1 89 LEU QB . . 3.500 2.524 2.252 2.690 . 0 0 "[ . 1 . 2]" 1
641 1 84 ASP HB3 1 86 GLU H . . 4.300 3.642 3.240 4.415 0.115 18 0 "[ . 1 . 2]" 1
642 1 85 PHE HA 1 86 GLU H . . 4.300 3.615 3.564 3.643 . 0 0 "[ . 1 . 2]" 1
643 1 85 PHE H 1 86 GLU H . . 3.300 3.014 2.854 3.158 . 0 0 "[ . 1 . 2]" 1
644 1 85 PHE QB 1 86 GLU H . . 3.300 2.658 2.497 2.946 . 0 0 "[ . 1 . 2]" 1
645 1 85 PHE QD 1 86 GLU H . . 5.800 3.749 3.294 4.290 . 0 0 "[ . 1 . 2]" 1
646 1 86 GLU H 1 86 GLU QB . . 3.300 2.470 2.419 2.579 . 0 0 "[ . 1 . 2]" 1
647 1 86 GLU H 1 86 GLU QG . . 3.300 2.272 2.155 2.944 . 0 0 "[ . 1 . 2]" 1
648 1 86 GLU HA 1 86 GLU QG . . 3.500 2.493 2.368 2.965 . 0 0 "[ . 1 . 2]" 1
649 1 75 ILE MG 1 87 GLU HA . . 6.300 3.490 3.251 3.674 . 0 0 "[ . 1 . 2]" 1
650 1 83 ILE MG 1 87 GLU HA . . 6.300 4.224 4.136 4.358 . 0 0 "[ . 1 . 2]" 1
651 1 83 ILE MG 1 87 GLU H . . 6.300 3.970 3.835 4.121 . 0 0 "[ . 1 . 2]" 1
652 1 86 GLU HA 1 87 GLU H . . 4.300 3.571 3.534 3.618 . 0 0 "[ . 1 . 2]" 1
653 1 86 GLU H 1 87 GLU H . . 3.300 2.715 2.492 2.910 . 0 0 "[ . 1 . 2]" 1
654 1 86 GLU QB 1 87 GLU H . . 3.300 2.634 2.462 2.884 . 0 0 "[ . 1 . 2]" 1
655 1 87 GLU H 1 87 GLU QB . . 3.300 2.431 2.379 2.555 . 0 0 "[ . 1 . 2]" 1
656 1 87 GLU H 1 87 GLU QG . . 3.300 2.287 2.153 2.946 . 0 0 "[ . 1 . 2]" 1
657 1 75 ILE MG 1 87 GLU QB . . 6.300 2.137 2.033 2.267 . 0 0 "[ . 1 . 2]" 1
658 1 77 LYS QB 1 87 GLU QG . . 5.800 3.294 2.682 3.983 . 0 0 "[ . 1 . 2]" 1
659 1 83 ILE MG 1 87 GLU QG . . 6.300 3.935 3.587 4.086 . 0 0 "[ . 1 . 2]" 1
660 1 87 GLU HA 1 87 GLU QG . . 3.500 2.431 2.397 2.455 . 0 0 "[ . 1 . 2]" 1
661 1 75 ILE MG 1 88 PHE HA . . 6.300 3.487 3.190 4.193 . 0 0 "[ . 1 . 2]" 1
662 1 83 ILE MD 1 88 PHE HA . . 6.300 5.016 4.832 5.249 . 0 0 "[ . 1 . 2]" 1
663 1 83 ILE MG 1 88 PHE HA . . 4.500 2.629 2.397 2.755 . 0 0 "[ . 1 . 2]" 1
664 1 88 PHE HA 1 91 MET H . . 4.000 3.457 3.270 3.608 . 0 0 "[ . 1 . 2]" 1
665 1 83 ILE MD 1 88 PHE H . . 6.300 5.239 5.129 5.267 . 0 0 "[ . 1 . 2]" 1
666 1 83 ILE MG 1 88 PHE H . . 4.800 2.463 2.301 2.612 . 0 0 "[ . 1 . 2]" 1
667 1 85 PHE HA 1 88 PHE H . . 4.300 3.484 3.367 3.601 . 0 0 "[ . 1 . 2]" 1
668 1 85 PHE QD 1 88 PHE H . . 5.800 5.163 5.048 5.213 . 0 0 "[ . 1 . 2]" 1
669 1 86 GLU HA 1 88 PHE H . . 5.800 4.586 4.428 4.708 . 0 0 "[ . 1 . 2]" 1
670 1 87 GLU H 1 88 PHE H . . 3.300 2.633 2.462 2.791 . 0 0 "[ . 1 . 2]" 1
671 1 87 GLU QB 1 88 PHE H . . 4.300 2.484 2.343 2.602 . 0 0 "[ . 1 . 2]" 1
672 1 87 GLU QG 1 88 PHE H . . 5.800 4.099 3.999 4.401 . 0 0 "[ . 1 . 2]" 1
673 1 88 PHE H 1 88 PHE QB . . 3.300 2.215 2.173 2.250 . 0 0 "[ . 1 . 2]" 1
674 1 88 PHE H 1 90 THR H . . 5.800 4.194 4.059 4.298 . 0 0 "[ . 1 . 2]" 1
675 1 83 ILE MG 1 88 PHE QB . . 6.300 2.206 2.113 2.289 . 0 0 "[ . 1 . 2]" 1
676 1 85 PHE HA 1 88 PHE QB . . 4.000 2.466 2.334 2.577 . 0 0 "[ . 1 . 2]" 1
677 1 32 ILE MG 1 88 PHE QD . . 5.000 2.420 2.219 2.642 . 0 0 "[ . 1 . 2]" 1
678 1 36 PHE HB2 1 88 PHE QD . . 5.800 2.669 2.458 2.820 . 0 0 "[ . 1 . 2]" 1
679 1 36 PHE QD 1 88 PHE QD . . 5.800 2.944 2.848 3.050 . 0 0 "[ . 1 . 2]" 1
680 1 47 ILE MD 1 88 PHE QD . . 6.300 2.926 2.615 3.349 . 0 0 "[ . 1 . 2]" 1
681 1 52 LEU MD1 1 88 PHE QD . . 6.300 2.678 2.364 2.978 . 0 0 "[ . 1 . 2]" 1
682 1 83 ILE MG 1 88 PHE QD . . 6.300 2.860 2.594 3.246 . 0 0 "[ . 1 . 2]" 1
683 1 85 PHE HA 1 88 PHE QD . . 5.800 3.906 3.697 4.068 . 0 0 "[ . 1 . 2]" 1
684 1 85 PHE QD 1 88 PHE QD . . 5.800 3.224 2.923 3.596 . 0 0 "[ . 1 . 2]" 1
685 1 88 PHE QD 1 89 LEU HA . . 5.800 3.637 3.446 3.929 . 0 0 "[ . 1 . 2]" 1
686 1 32 ILE HA 1 88 PHE QE . . 5.800 3.153 2.916 3.379 . 0 0 "[ . 1 . 2]" 1
687 1 32 ILE MG 1 88 PHE QE . . 6.300 2.227 2.153 2.292 . 0 0 "[ . 1 . 2]" 1
688 1 35 ALA MB 1 88 PHE QE . . 6.300 2.832 2.600 3.045 . 0 0 "[ . 1 . 2]" 1
689 1 36 PHE HA 1 88 PHE QE . . 5.800 3.502 3.375 3.674 . 0 0 "[ . 1 . 2]" 1
690 1 36 PHE HB2 1 88 PHE QE . . 5.800 2.657 2.535 2.889 . 0 0 "[ . 1 . 2]" 1
691 1 39 PHE QD 1 88 PHE QE . . 5.800 3.040 2.539 3.396 . 0 0 "[ . 1 . 2]" 1
692 1 47 ILE MD 1 88 PHE QE . . 6.300 3.191 2.792 3.596 . 0 0 "[ . 1 . 2]" 1
693 1 52 LEU MD1 1 88 PHE QE . . 6.300 2.776 2.310 3.122 . 0 0 "[ . 1 . 2]" 1
694 1 55 ALA MB 1 88 PHE QE . . 6.300 3.887 3.683 4.163 . 0 0 "[ . 1 . 2]" 1
695 1 59 LEU MD1 1 88 PHE QE . . 6.300 4.356 3.890 4.630 . 0 0 "[ . 1 . 2]" 1
696 1 32 ILE MD 1 89 LEU HA . . 6.300 3.461 2.938 3.781 . 0 0 "[ . 1 . 2]" 1
697 1 32 ILE MG 1 89 LEU HA . . 4.000 2.512 2.234 2.816 . 0 0 "[ . 1 . 2]" 1
698 1 89 LEU HA 1 89 LEU HG . . 4.000 2.952 2.380 3.327 . 0 0 "[ . 1 . 2]" 1
699 1 88 PHE HA 1 89 LEU H . . 4.300 3.589 3.556 3.610 . 0 0 "[ . 1 . 2]" 1
700 1 88 PHE QB 1 89 LEU H . . 4.300 2.417 2.331 2.517 . 0 0 "[ . 1 . 2]" 1
701 1 88 PHE QD 1 89 LEU H . . 5.800 3.434 3.255 3.651 . 0 0 "[ . 1 . 2]" 1
702 1 89 LEU H 1 89 LEU QB . . 3.300 2.170 2.083 2.212 . 0 0 "[ . 1 . 2]" 1
703 1 29 LYS HA 1 89 LEU QD . . 6.300 3.403 2.885 3.837 . 0 0 "[ . 1 . 2]" 1
704 1 29 LYS QB 1 89 LEU QD . . 6.300 3.486 3.111 3.885 . 0 0 "[ . 1 . 2]" 1
705 1 29 LYS QD 1 89 LEU QD . . 6.300 3.107 2.296 4.038 . 0 0 "[ . 1 . 2]" 1
706 1 29 LYS QE 1 89 LEU QD . . 6.300 3.876 3.061 4.185 . 0 0 "[ . 1 . 2]" 1
707 1 32 ILE HB 1 89 LEU QD . . 6.300 3.546 2.933 4.173 . 0 0 "[ . 1 . 2]" 1
708 1 32 ILE MD 1 89 LEU QD . . 6.800 2.633 2.119 3.788 . 0 0 "[ . 1 . 2]" 1
709 1 32 ILE MG 1 89 LEU QD . . 6.800 2.586 2.136 3.270 . 0 0 "[ . 1 . 2]" 1
710 1 86 GLU HA 1 89 LEU QD . . 6.300 3.194 2.773 3.457 . 0 0 "[ . 1 . 2]" 1
711 1 86 GLU QG 1 89 LEU QD . . 6.300 4.020 3.708 4.193 . 0 0 "[ . 1 . 2]" 1
712 1 87 GLU HA 1 90 THR HB . . 3.500 2.705 2.515 2.837 . 0 0 "[ . 1 . 2]" 1
713 1 87 GLU HA 1 90 THR H . . 4.300 3.441 3.237 3.669 . 0 0 "[ . 1 . 2]" 1
714 1 89 LEU HA 1 90 THR H . . 4.300 3.603 3.586 3.618 . 0 0 "[ . 1 . 2]" 1
715 1 89 LEU H 1 90 THR H . . 3.300 2.805 2.755 2.843 . 0 0 "[ . 1 . 2]" 1
716 1 89 LEU QB 1 90 THR H . . 3.300 2.529 2.394 2.681 . 0 0 "[ . 1 . 2]" 1
717 1 89 LEU QD 1 90 THR H . . 6.300 3.685 3.089 3.909 . 0 0 "[ . 1 . 2]" 1
718 1 90 THR H 1 90 THR HB . . 3.300 2.633 2.570 2.830 . 0 0 "[ . 1 . 2]" 1
719 1 90 THR H 1 91 MET H . . 3.300 2.856 2.812 2.921 . 0 0 "[ . 1 . 2]" 1
720 1 75 ILE MG 1 90 THR MG . . 6.800 4.381 3.999 4.668 . 0 0 "[ . 1 . 2]" 1
721 1 87 GLU HA 1 90 THR MG . . 6.300 4.021 3.885 4.122 . 0 0 "[ . 1 . 2]" 1
722 1 75 ILE MD 1 91 MET HA . . 6.300 2.730 2.284 3.481 . 0 0 "[ . 1 . 2]" 1
723 1 75 ILE MG 1 91 MET HA . . 6.300 4.116 3.831 4.876 . 0 0 "[ . 1 . 2]" 1
724 1 90 THR MG 1 91 MET HA . . 6.300 3.738 3.661 3.810 . 0 0 "[ . 1 . 2]" 1
725 1 91 MET H 1 91 MET HA . . 3.000 2.813 2.795 2.844 . 0 0 "[ . 1 . 2]" 1
726 1 75 ILE MD 1 91 MET H . . 6.300 3.625 2.916 4.174 . 0 0 "[ . 1 . 2]" 1
727 1 75 ILE MG 1 91 MET H . . 6.300 3.525 3.069 4.259 . 0 0 "[ . 1 . 2]" 1
728 1 89 LEU HA 1 91 MET H . . 5.800 4.638 4.497 4.716 . 0 0 "[ . 1 . 2]" 1
729 1 90 THR HA 1 91 MET H . . 4.300 3.612 3.601 3.629 . 0 0 "[ . 1 . 2]" 1
730 1 90 THR HB 1 91 MET H . . 3.300 2.540 2.428 2.682 . 0 0 "[ . 1 . 2]" 1
731 1 90 THR MG 1 91 MET H . . 6.300 3.523 3.443 3.586 . 0 0 "[ . 1 . 2]" 1
732 1 91 MET H 1 91 MET QB . . 3.300 2.223 2.168 2.503 . 0 0 "[ . 1 . 2]" 1
733 1 75 ILE MD 1 91 MET QB . . 6.300 2.412 2.256 3.838 . 0 0 "[ . 1 . 2]" 1
734 1 75 ILE MG 1 91 MET QB . . 6.300 2.400 2.144 4.224 . 0 0 "[ . 1 . 2]" 1
735 1 88 PHE HA 1 91 MET QB . . 4.000 2.620 2.444 2.858 . 0 0 "[ . 1 . 2]" 1
736 1 52 LEU MD1 1 91 MET ME . . 6.800 2.693 2.297 3.524 . 0 0 "[ . 1 . 2]" 1
737 1 75 ILE MD 1 91 MET ME . . 6.800 4.447 3.574 4.723 . 0 0 "[ . 1 . 2]" 1
738 1 75 ILE MG 1 91 MET ME . . 6.800 3.920 3.462 4.327 . 0 0 "[ . 1 . 2]" 1
739 1 88 PHE HA 1 91 MET ME . . 6.300 3.286 2.581 5.258 . 0 0 "[ . 1 . 2]" 1
740 1 75 ILE MG 1 91 MET QG . . 6.300 3.359 2.539 3.944 . 0 0 "[ . 1 . 2]" 1
741 1 91 MET HA 1 91 MET QG . . 3.500 2.434 2.383 2.599 . 0 0 "[ . 1 . 2]" 1
742 1 91 MET ME 1 92 MET HA . . 6.300 3.948 2.946 5.259 . 0 0 "[ . 1 . 2]" 1
743 1 89 LEU HA 1 92 MET H . . 4.300 3.519 3.196 3.663 . 0 0 "[ . 1 . 2]" 1
744 1 89 LEU QD 1 92 MET H . . 6.300 4.592 4.441 4.713 . 0 0 "[ . 1 . 2]" 1
745 1 91 MET HA 1 92 MET H . . 4.300 3.598 3.581 3.616 . 0 0 "[ . 1 . 2]" 1
746 1 91 MET H 1 92 MET H . . 3.300 2.860 2.797 2.928 . 0 0 "[ . 1 . 2]" 1
747 1 91 MET QB 1 92 MET H . . 3.300 2.407 2.298 2.612 . 0 0 "[ . 1 . 2]" 1
748 1 32 ILE MD 1 92 MET QB . . 6.300 2.468 2.114 3.055 . 0 0 "[ . 1 . 2]" 1
749 1 89 LEU HA 1 92 MET QB . . 4.000 2.618 2.402 2.872 . 0 0 "[ . 1 . 2]" 1
750 1 32 ILE HA 1 92 MET ME . . 6.300 4.179 3.118 5.225 . 0 0 "[ . 1 . 2]" 1
751 1 32 ILE HG12 1 92 MET ME . . 6.300 3.215 2.435 4.146 . 0 0 "[ . 1 . 2]" 1
752 1 32 ILE MD 1 92 MET ME . . 6.800 3.881 3.119 4.721 . 0 0 "[ . 1 . 2]" 1
753 1 32 ILE MG 1 92 MET ME . . 6.800 3.516 2.531 4.456 . 0 0 "[ . 1 . 2]" 1
754 1 59 LEU MD1 1 92 MET ME . . 6.800 3.793 2.789 4.718 . 0 0 "[ . 1 . 2]" 1
755 1 59 LEU MD2 1 92 MET ME . . 6.800 3.913 2.936 4.669 . 0 0 "[ . 1 . 2]" 1
756 1 93 THR HA 1 94 ALA H . . 4.000 3.596 3.579 3.614 . 0 0 "[ . 1 . 2]" 1
757 1 90 THR HA 1 93 THR HB . . 4.000 2.646 2.415 2.808 . 0 0 "[ . 1 . 2]" 1
758 1 93 THR H 1 93 THR HB . . 4.000 2.628 2.558 2.702 . 0 0 "[ . 1 . 2]" 1
759 1 93 THR HB 1 94 ALA H . . 4.000 2.600 2.445 2.807 . 0 0 "[ . 1 . 2]" 1
760 1 89 LEU HA 1 93 THR H . . 5.800 3.904 3.818 4.060 . 0 0 "[ . 1 . 2]" 1
761 1 89 LEU QB 1 93 THR H . . 5.800 5.127 5.036 5.182 . 0 0 "[ . 1 . 2]" 1
762 1 89 LEU QD 1 93 THR H . . 6.300 3.596 3.314 3.757 . 0 0 "[ . 1 . 2]" 1
763 1 90 THR HA 1 93 THR H . . 5.800 3.488 3.286 3.677 . 0 0 "[ . 1 . 2]" 1
764 1 91 MET HA 1 93 THR H . . 5.800 4.622 4.361 4.863 . 0 0 "[ . 1 . 2]" 1
765 1 92 MET H 1 93 THR H . . 4.300 2.796 2.622 2.876 . 0 0 "[ . 1 . 2]" 1
766 1 92 MET QB 1 93 THR H . . 4.300 2.547 2.332 2.861 . 0 0 "[ . 1 . 2]" 1
767 1 93 THR H 1 93 THR MG . . 4.800 3.777 3.751 3.806 . 0 0 "[ . 1 . 2]" 1
768 1 24 LEU MD1 1 93 THR MG . . 6.800 2.818 2.200 3.386 . 0 0 "[ . 1 . 2]" 1
769 1 24 LEU MD2 1 93 THR MG . . 6.800 3.713 2.419 4.529 . 0 0 "[ . 1 . 2]" 1
770 1 89 LEU QD 1 93 THR MG . . 6.800 3.979 3.410 4.211 . 0 0 "[ . 1 . 2]" 1
771 1 94 ALA H 1 94 ALA HA . . 3.000 2.846 2.804 2.921 . 0 0 "[ . 1 . 2]" 1
772 1 90 THR HA 1 94 ALA H . . 5.800 3.986 3.799 4.096 . 0 0 "[ . 1 . 2]" 1
773 1 91 MET HA 1 94 ALA H . . 4.300 3.537 3.404 3.767 . 0 0 "[ . 1 . 2]" 1
774 1 93 THR H 1 94 ALA H . . 3.300 2.798 2.667 2.916 . 0 0 "[ . 1 . 2]" 1
775 1 93 THR MG 1 94 ALA H . . 6.300 3.598 3.466 3.797 . 0 0 "[ . 1 . 2]" 1
776 1 90 THR MG 1 94 ALA MB . . 6.800 3.349 3.149 3.576 . 0 0 "[ . 1 . 2]" 1
777 1 91 MET HA 1 94 ALA MB . . 6.300 2.706 2.554 2.889 . 0 0 "[ . 1 . 2]" 1
778 1 94 ALA MB 1 95 LYS H . . 6.300 2.671 2.312 3.738 . 0 0 "[ . 1 . 2]" 1
779 1 95 LYS H 1 96 MET H . . 3.300 2.720 2.234 3.315 0.015 9 0 "[ . 1 . 2]" 1
780 1 95 LYS HA 1 95 LYS QG . . 3.500 2.497 2.259 3.080 . 0 0 "[ . 1 . 2]" 1
781 1 95 LYS QB 1 96 MET H . . 4.300 2.785 2.396 3.888 . 0 0 "[ . 1 . 2]" 1
782 1 95 LYS QG 1 96 MET H . . 5.800 4.121 3.564 4.449 . 0 0 "[ . 1 . 2]" 1
783 1 96 MET H 1 96 MET QG . . 4.300 2.616 2.054 3.910 . 0 0 "[ . 1 . 2]" 1
784 1 24 LEU MD2 1 96 MET ME . . 6.800 2.862 2.051 4.718 . 0 0 "[ . 1 . 2]" 1
785 1 96 MET HA 1 96 MET QG . . 4.000 2.756 2.296 3.503 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 24
_Distance_constraint_stats_list.Viol_count 180
_Distance_constraint_stats_list.Viol_total 148.174
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0255
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0154
_Distance_constraint_stats_list.Viol_average_violations_only 0.0412
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 31 GLU 0.840 0.073 10 0 "[ . 1 . 2]"
1 32 ILE 0.099 0.028 9 0 "[ . 1 . 2]"
1 33 ARG 0.564 0.101 1 0 "[ . 1 . 2]"
1 34 GLU 1.298 0.107 15 0 "[ . 1 . 2]"
1 35 ALA 1.805 0.104 12 0 "[ . 1 . 2]"
1 36 PHE 0.255 0.045 18 0 "[ . 1 . 2]"
1 37 ASP 0.564 0.101 1 0 "[ . 1 . 2]"
1 38 LEU 1.298 0.107 15 0 "[ . 1 . 2]"
1 39 PHE 0.965 0.104 12 0 "[ . 1 . 2]"
1 40 ASP 0.156 0.045 18 0 "[ . 1 . 2]"
1 47 ILE 0.683 0.081 9 0 "[ . 1 . 2]"
1 48 ASP 1.795 0.102 15 0 "[ . 1 . 2]"
1 51 GLU 0.584 0.071 10 0 "[ . 1 . 2]"
1 52 LEU 1.211 0.102 15 0 "[ . 1 . 2]"
1 83 ILE 0.683 0.081 9 0 "[ . 1 . 2]"
1 84 ASP 0.992 0.135 11 0 "[ . 1 . 2]"
1 85 PHE 0.017 0.017 16 0 "[ . 1 . 2]"
1 87 GLU 0.129 0.054 11 0 "[ . 1 . 2]"
1 88 PHE 0.863 0.135 11 0 "[ . 1 . 2]"
1 89 LEU 0.017 0.017 16 0 "[ . 1 . 2]"
stop_
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_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 31 GLU O 1 35 ALA H . . 2.300 1.832 1.803 1.859 . 0 0 "[ . 1 . 2]" 2
2 1 32 ILE O 1 36 PHE H . . 2.300 1.812 1.801 1.832 . 0 0 "[ . 1 . 2]" 2
3 1 33 ARG O 1 37 ASP H . . 2.300 1.822 1.796 1.888 . 0 0 "[ . 1 . 2]" 2
4 1 34 GLU O 1 38 LEU H . . 2.300 1.858 1.824 1.895 . 0 0 "[ . 1 . 2]" 2
5 1 35 ALA O 1 39 PHE H . . 2.300 1.834 1.800 1.889 . 0 0 "[ . 1 . 2]" 2
6 1 36 PHE O 1 40 ASP H . . 2.300 1.839 1.796 1.876 . 0 0 "[ . 1 . 2]" 2
7 1 47 ILE H 1 83 ILE O . . 2.300 1.857 1.836 1.910 . 0 0 "[ . 1 . 2]" 2
8 1 48 ASP H 1 51 GLU OE1 . . 2.300 1.830 1.795 1.859 . 0 0 "[ . 1 . 2]" 2
9 1 48 ASP O 1 52 LEU H . . 2.300 1.892 1.852 1.939 . 0 0 "[ . 1 . 2]" 2
10 1 84 ASP H 1 87 GLU OE1 . . 2.300 1.798 1.776 1.903 . 0 0 "[ . 1 . 2]" 2
11 1 84 ASP O 1 88 PHE H . . 2.300 1.840 1.814 1.923 . 0 0 "[ . 1 . 2]" 2
12 1 85 PHE O 1 89 LEU H . . 2.300 1.791 1.780 1.807 . 0 0 "[ . 1 . 2]" 2
13 1 31 GLU O 1 35 ALA N . . 2.800 2.842 2.811 2.873 0.073 10 0 "[ . 1 . 2]" 2
14 1 32 ILE O 1 36 PHE N . . 2.800 2.801 2.785 2.828 0.028 9 0 "[ . 1 . 2]" 2
15 1 33 ARG O 1 37 ASP N . . 2.800 2.827 2.791 2.901 0.101 1 0 "[ . 1 . 2]" 2
16 1 34 GLU O 1 38 LEU N . . 2.800 2.865 2.824 2.907 0.107 15 0 "[ . 1 . 2]" 2
17 1 35 ALA O 1 39 PHE N . . 2.800 2.848 2.812 2.904 0.104 12 0 "[ . 1 . 2]" 2
18 1 36 PHE O 1 40 ASP N . . 2.800 2.797 2.755 2.845 0.045 18 0 "[ . 1 . 2]" 2
19 1 47 ILE N 1 83 ILE O . . 2.800 2.834 2.805 2.881 0.081 9 0 "[ . 1 . 2]" 2
20 1 48 ASP N 1 51 GLU OE1 . . 2.800 2.828 2.792 2.871 0.071 10 0 "[ . 1 . 2]" 2
21 1 48 ASP O 1 52 LEU N . . 2.800 2.860 2.798 2.902 0.102 15 0 "[ . 1 . 2]" 2
22 1 84 ASP N 1 87 GLU OE1 . . 2.800 2.803 2.787 2.854 0.054 11 0 "[ . 1 . 2]" 2
23 1 84 ASP O 1 88 PHE N . . 2.800 2.843 2.817 2.935 0.135 11 0 "[ . 1 . 2]" 2
24 1 85 PHE O 1 89 LEU N . . 2.800 2.786 2.768 2.817 0.017 16 0 "[ . 1 . 2]" 2
stop_
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