NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569027 |
2maw   |
19379 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2maw
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 582
_Distance_constraint_stats_list.Viol_count 102
_Distance_constraint_stats_list.Viol_total 121.714
_Distance_constraint_stats_list.Viol_max 0.656
_Distance_constraint_stats_list.Viol_rms 0.0143
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0597
_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 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 5 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 0.004 0.001 6 0 "[ . 1 . 2]"
1 19 LEU 0.004 0.001 6 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 10 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.089 0.022 6 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.089 0.022 6 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PHE 0.099 0.099 13 0 "[ . 1 . 2]"
1 52 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.106 0.051 16 0 "[ . 1 . 2]"
1 77 MET 0.167 0.051 17 0 "[ . 1 . 2]"
1 78 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ILE 0.561 0.172 16 0 "[ . 1 . 2]"
1 80 VAL 0.103 0.051 17 0 "[ . 1 . 2]"
1 81 GLY 0.504 0.144 20 0 "[ . 1 . 2]"
1 82 LEU 0.118 0.065 17 0 "[ . 1 . 2]"
1 83 SER 0.311 0.144 20 0 "[ . 1 . 2]"
1 85 VAL 0.112 0.065 17 0 "[ . 1 . 2]"
1 86 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 19 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 TYR 3.491 0.656 4 5 "[ +* 1 .* *-]"
1 96 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASP 0.138 0.138 20 0 "[ . 1 . 2]"
1 98 PRO 0.138 0.138 20 0 "[ . 1 . 2]"
1 99 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ILE 0.511 0.251 18 0 "[ . 1 . 2]"
1 109 ASP 0.283 0.251 18 0 "[ . 1 . 2]"
1 110 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 CYS 0.000 0.000 19 0 "[ . 1 . 2]"
1 113 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 VAL 0.082 0.056 15 0 "[ . 1 . 2]"
1 119 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ILE 0.007 0.007 17 0 "[ . 1 . 2]"
1 122 ILE 0.554 0.120 14 0 "[ . 1 . 2]"
1 123 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 THR 0.013 0.007 17 0 "[ . 1 . 2]"
1 125 ILE 0.006 0.006 17 0 "[ . 1 . 2]"
1 126 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 133 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 135 VAL 0.023 0.023 9 0 "[ . 1 . 2]"
1 136 GLU 0.023 0.023 9 0 "[ . 1 . 2]"
1 137 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 TYR QD 1 58 ILE MG . . 4.960 4.547 4.079 4.890 . 0 0 "[ . 1 . 2]" 1
2 1 9 TYR QE 1 58 ILE QG . . 3.960 3.845 3.570 3.924 . 0 0 "[ . 1 . 2]" 1
3 1 9 TYR QE 1 58 ILE MD . . 4.200 2.113 1.920 2.482 . 0 0 "[ . 1 . 2]" 1
4 1 9 TYR QE 1 55 VAL MG1 . . 4.400 3.411 2.379 4.217 . 0 0 "[ . 1 . 2]" 1
5 1 20 ILE HB 1 44 VAL QG . . 4.710 3.702 3.108 4.219 . 0 0 "[ . 1 . 2]" 1
6 1 20 ILE MG 1 44 VAL QG . . 3.260 1.964 1.685 2.993 . 0 0 "[ . 1 . 2]" 1
7 1 20 ILE MD 1 44 VAL QG . . 3.730 2.999 1.942 3.704 . 0 0 "[ . 1 . 2]" 1
8 1 20 ILE MD 1 44 VAL HB . . 4.480 4.167 2.480 4.479 . 0 0 "[ . 1 . 2]" 1
9 1 20 ILE MG 1 44 VAL HB . . 4.260 3.071 1.979 3.972 . 0 0 "[ . 1 . 2]" 1
10 1 24 ALA MB 1 44 VAL QG . . 5.140 3.360 2.537 4.037 . 0 0 "[ . 1 . 2]" 1
11 1 27 VAL MG2 1 36 GLU HB3 . . 4.250 3.329 2.513 4.223 . 0 0 "[ . 1 . 2]" 1
12 1 27 VAL HB 1 37 LYS QD . . 5.000 4.726 3.621 4.992 . 0 0 "[ . 1 . 2]" 1
13 1 27 VAL MG2 1 40 LEU HB2 . . 4.270 4.081 3.438 4.268 . 0 0 "[ . 1 . 2]" 1
14 1 20 ILE MD 1 47 SER HB2 . . 3.800 3.575 3.087 3.781 . 0 0 "[ . 1 . 2]" 1
15 1 37 LYS QD 1 88 VAL MG1 . . 4.790 4.700 4.453 4.790 . 0 0 "[ . 1 . 2]" 1
16 1 52 MET HG3 1 73 PHE QE . . 4.380 3.331 2.433 4.013 . 0 0 "[ . 1 . 2]" 1
17 1 37 LYS QE 1 91 LEU QD . . 4.110 2.254 1.807 3.351 . 0 0 "[ . 1 . 2]" 1
18 1 52 MET ME 1 73 PHE QD . . 4.410 3.659 2.262 4.236 . 0 0 "[ . 1 . 2]" 1
19 1 52 MET ME 1 73 PHE QE . . 5.060 4.564 3.720 4.919 . 0 0 "[ . 1 . 2]" 1
20 1 52 MET ME 1 73 PHE QB . . 5.280 4.533 3.111 5.263 . 0 0 "[ . 1 . 2]" 1
21 1 59 MET ME 1 68 SER QB . . 4.710 4.394 3.246 4.701 . 0 0 "[ . 1 . 2]" 1
22 1 48 LEU MD1 1 77 MET HG2 . . 4.080 3.160 2.235 3.918 . 0 0 "[ . 1 . 2]" 1
23 1 55 VAL MG2 1 69 ILE HG12 . . 5.030 4.119 2.992 5.019 . 0 0 "[ . 1 . 2]" 1
24 1 45 LEU HA 1 80 VAL MG1 . . 4.400 4.323 4.100 4.399 . 0 0 "[ . 1 . 2]" 1
25 1 45 LEU HB2 1 80 VAL MG1 . . 5.500 5.332 5.000 5.497 . 0 0 "[ . 1 . 2]" 1
26 1 72 TYR QB 1 127 ILE MG . . 3.990 2.888 2.140 3.567 . 0 0 "[ . 1 . 2]" 1
27 1 72 TYR QB 1 127 ILE MD . . 4.250 4.074 3.450 4.243 . 0 0 "[ . 1 . 2]" 1
28 1 72 TYR HD2 1 127 ILE HB . . 4.650 4.476 3.069 4.649 . 0 0 "[ . 1 . 2]" 1
29 1 79 ILE MD 1 119 PHE QD . . 4.140 3.752 3.043 4.065 . 0 0 "[ . 1 . 2]" 1
30 1 79 ILE MG 1 119 PHE QD . . 4.560 3.467 2.510 4.119 . 0 0 "[ . 1 . 2]" 1
31 1 79 ILE MG 1 119 PHE HE2 . . 4.880 3.166 2.118 4.273 . 0 0 "[ . 1 . 2]" 1
32 1 87 THR MG 1 112 CYS HB2 . . 4.960 4.861 4.399 4.960 0.000 19 0 "[ . 1 . 2]" 1
33 1 29 LEU HA 1 110 ARG QG . . 5.080 4.790 4.093 5.057 . 0 0 "[ . 1 . 2]" 1
34 1 29 LEU QD 1 110 ARG QB . . 4.920 3.817 2.447 4.624 . 0 0 "[ . 1 . 2]" 1
35 1 29 LEU QD 1 110 ARG QD . . 3.980 3.094 2.084 3.895 . 0 0 "[ . 1 . 2]" 1
36 1 14 LEU MD1 1 124 THR MG . . 4.800 3.263 2.092 4.618 . 0 0 "[ . 1 . 2]" 1
37 1 29 LEU MD1 1 109 ASP HB2 . . 5.100 4.526 3.893 5.039 . 0 0 "[ . 1 . 2]" 1
38 1 17 CYS HB3 1 120 THR MG . . 5.200 3.540 2.032 4.979 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL MG2 1 120 THR MG . . 4.500 4.399 4.234 4.498 . 0 0 "[ . 1 . 2]" 1
40 1 25 LEU HB2 1 113 LEU QD . . 4.800 2.565 1.992 3.560 . 0 0 "[ . 1 . 2]" 1
41 1 115 ALA HA 1 118 VAL MG1 . . 4.170 2.654 2.252 3.985 . 0 0 "[ . 1 . 2]" 1
42 1 82 LEU HB3 1 86 VAL H . . 5.390 4.936 4.239 5.391 0.001 19 0 "[ . 1 . 2]" 1
43 1 89 ILE H 1 89 ILE HB . . 3.890 2.517 2.441 2.623 . 0 0 "[ . 1 . 2]" 1
44 1 122 ILE HA 1 125 ILE HB . . 4.180 2.789 2.434 2.920 . 0 0 "[ . 1 . 2]" 1
45 1 51 PHE HA 1 54 LEU H . . 4.240 3.493 3.275 3.699 . 0 0 "[ . 1 . 2]" 1
46 1 51 PHE HA 1 55 VAL H . . 4.700 4.259 3.760 4.568 . 0 0 "[ . 1 . 2]" 1
47 1 106 GLU HA 1 108 ILE H . . 4.680 4.158 3.556 4.657 . 0 0 "[ . 1 . 2]" 1
48 1 53 LEU HA 1 56 ALA MB . . 4.070 2.511 2.280 2.837 . 0 0 "[ . 1 . 2]" 1
49 1 79 ILE H 1 79 ILE MD . . 4.610 4.308 3.627 4.420 . 0 0 "[ . 1 . 2]" 1
50 1 115 ALA MB 1 116 PHE H . . 4.740 2.664 2.326 2.858 . 0 0 "[ . 1 . 2]" 1
51 1 52 MET HA 1 56 ALA MB . . 4.320 4.249 4.122 4.317 . 0 0 "[ . 1 . 2]" 1
52 1 53 LEU HA 1 57 GLU H . . 4.270 4.150 3.887 4.265 . 0 0 "[ . 1 . 2]" 1
53 1 57 GLU HB3 1 58 ILE H . . 4.130 2.654 2.468 2.899 . 0 0 "[ . 1 . 2]" 1
54 1 106 GLU HB3 1 107 GLY H . . 3.840 3.019 2.050 3.744 . 0 0 "[ . 1 . 2]" 1
55 1 32 ALA MB 1 33 ASP H . . 4.130 2.620 2.138 3.643 . 0 0 "[ . 1 . 2]" 1
56 1 28 PHE H 1 28 PHE HB3 . . 4.170 3.459 3.312 3.546 . 0 0 "[ . 1 . 2]" 1
57 1 17 CYS HB2 1 18 VAL H . . 4.300 3.048 2.475 3.815 . 0 0 "[ . 1 . 2]" 1
58 1 46 LEU HB3 1 47 SER H . . 4.140 2.853 2.398 2.957 . 0 0 "[ . 1 . 2]" 1
59 1 49 THR HA 1 52 MET H . . 4.390 3.702 3.568 3.841 . 0 0 "[ . 1 . 2]" 1
60 1 11 LEU HB2 1 12 ASN H . . 4.130 3.129 2.528 3.680 . 0 0 "[ . 1 . 2]" 1
61 1 18 VAL HB 1 19 LEU H . . 4.360 3.983 3.977 4.005 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL HA 1 22 ALA H . . 4.210 4.127 3.818 4.210 0.000 10 0 "[ . 1 . 2]" 1
63 1 50 VAL MG2 1 51 PHE H . . 4.590 3.787 3.691 3.890 . 0 0 "[ . 1 . 2]" 1
64 1 52 MET HA 1 55 VAL H . . 4.160 3.634 3.459 3.796 . 0 0 "[ . 1 . 2]" 1
65 1 108 ILE HB 1 109 ASP H . . 3.990 2.487 2.158 4.021 0.031 18 0 "[ . 1 . 2]" 1
66 1 122 ILE HA 1 125 ILE H . . 4.330 3.666 3.504 3.832 . 0 0 "[ . 1 . 2]" 1
67 1 130 SER HB3 1 131 ALA H . . 4.200 3.513 2.925 4.083 . 0 0 "[ . 1 . 2]" 1
68 1 133 ASN HA 1 135 VAL H . . 4.650 4.101 3.378 4.606 . 0 0 "[ . 1 . 2]" 1
69 1 50 VAL HB 1 51 PHE H . . 4.110 2.470 2.195 2.781 . 0 0 "[ . 1 . 2]" 1
70 1 27 VAL H 1 27 VAL MG1 . . 4.330 3.781 3.771 3.799 . 0 0 "[ . 1 . 2]" 1
71 1 27 VAL MG1 1 28 PHE H . . 4.760 3.693 3.503 3.839 . 0 0 "[ . 1 . 2]" 1
72 1 78 ILE HB 1 78 ILE MD . . 3.500 2.505 2.110 3.230 . 0 0 "[ . 1 . 2]" 1
73 1 129 MET H 1 129 MET ME . . 3.870 3.518 2.893 3.841 . 0 0 "[ . 1 . 2]" 1
74 1 13 LEU H 1 13 LEU MD2 . . 4.390 4.242 4.049 4.388 . 0 0 "[ . 1 . 2]" 1
75 1 44 VAL H 1 44 VAL MG1 . . 3.820 2.567 1.921 3.776 . 0 0 "[ . 1 . 2]" 1
76 1 49 THR MG 1 50 VAL H . . 4.180 2.108 2.050 2.214 . 0 0 "[ . 1 . 2]" 1
77 1 121 ILE MG 1 122 ILE H . . 3.960 3.378 2.079 3.872 . 0 0 "[ . 1 . 2]" 1
78 1 20 ILE HA 1 20 ILE MG . . 3.670 2.330 2.290 2.384 . 0 0 "[ . 1 . 2]" 1
79 1 78 ILE H 1 78 ILE MD . . 4.210 3.372 2.610 3.606 . 0 0 "[ . 1 . 2]" 1
80 1 58 ILE MD 1 59 MET H . . 4.760 4.045 3.961 4.756 . 0 0 "[ . 1 . 2]" 1
81 1 122 ILE H 1 122 ILE MD . . 4.210 3.353 3.087 3.769 . 0 0 "[ . 1 . 2]" 1
82 1 127 ILE HB 1 127 ILE MD . . 3.520 2.349 2.024 2.419 . 0 0 "[ . 1 . 2]" 1
83 1 58 ILE HB 1 58 ILE MD . . 3.620 2.340 2.249 2.446 . 0 0 "[ . 1 . 2]" 1
84 1 15 ILE HB 1 15 ILE MD . . 3.650 2.423 2.418 2.425 . 0 0 "[ . 1 . 2]" 1
85 1 124 THR MG 1 125 ILE MD . . 3.110 2.853 2.415 3.116 0.006 17 0 "[ . 1 . 2]" 1
86 1 14 LEU HA 1 15 ILE MD . . 4.930 4.685 4.684 4.690 . 0 0 "[ . 1 . 2]" 1
87 1 108 ILE HA 1 108 ILE MD . . 3.930 3.641 2.011 4.158 0.228 18 0 "[ . 1 . 2]" 1
88 1 79 ILE HA 1 79 ILE MD . . 4.290 3.655 3.325 3.807 . 0 0 "[ . 1 . 2]" 1
89 1 125 ILE HA 1 125 ILE MD . . 4.480 3.038 1.966 3.883 . 0 0 "[ . 1 . 2]" 1
90 1 122 ILE HA 1 122 ILE MD . . 3.670 2.379 1.969 3.790 0.120 14 0 "[ . 1 . 2]" 1
91 1 78 ILE HA 1 78 ILE MD . . 3.910 3.487 2.042 3.841 . 0 0 "[ . 1 . 2]" 1
92 1 127 ILE MD 1 128 LEU H . . 4.330 3.931 2.835 4.023 . 0 0 "[ . 1 . 2]" 1
93 1 69 ILE HA 1 69 ILE MD . . 4.290 3.588 3.084 3.801 . 0 0 "[ . 1 . 2]" 1
94 1 79 ILE MG 1 81 GLY H . . 4.560 4.415 4.294 4.626 0.066 17 0 "[ . 1 . 2]" 1
95 1 89 ILE H 1 89 ILE MG . . 4.110 3.764 3.752 3.767 . 0 0 "[ . 1 . 2]" 1
96 1 78 ILE H 1 78 ILE MG . . 4.100 3.765 3.763 3.766 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE MG 1 16 PRO HA . . 3.900 2.942 2.941 2.942 . 0 0 "[ . 1 . 2]" 1
98 1 122 ILE MG 1 123 CYS HA . . 4.400 3.649 3.411 3.749 . 0 0 "[ . 1 . 2]" 1
99 1 89 ILE MG 1 90 VAL HA . . 3.750 3.361 3.140 3.647 . 0 0 "[ . 1 . 2]" 1
100 1 15 ILE MG 1 19 LEU HB2 . . 3.560 3.295 3.185 3.355 . 0 0 "[ . 1 . 2]" 1
101 1 27 VAL MG1 1 32 ALA MB . . 4.120 3.888 1.831 4.118 . 0 0 "[ . 1 . 2]" 1
102 1 44 VAL MG2 1 45 LEU H . . 4.410 2.900 1.955 3.798 . 0 0 "[ . 1 . 2]" 1
103 1 55 VAL H 1 55 VAL MG1 . . 4.090 3.021 2.132 3.766 . 0 0 "[ . 1 . 2]" 1
104 1 135 VAL MG1 1 136 GLU H . . 4.700 3.402 2.149 4.375 . 0 0 "[ . 1 . 2]" 1
105 1 86 VAL MG1 1 87 THR H . . 4.200 3.545 2.369 4.043 . 0 0 "[ . 1 . 2]" 1
106 1 18 VAL MG2 1 19 LEU HA . . 3.730 3.729 3.709 3.731 0.001 6 0 "[ . 1 . 2]" 1
107 1 85 VAL HA 1 85 VAL MG1 . . 3.580 2.507 2.201 3.204 . 0 0 "[ . 1 . 2]" 1
108 1 85 VAL HA 1 85 VAL MG2 . . 3.580 2.446 2.178 3.203 . 0 0 "[ . 1 . 2]" 1
109 1 86 VAL HB 1 87 THR MG . . 4.920 3.516 3.135 4.866 . 0 0 "[ . 1 . 2]" 1
110 1 124 THR MG 1 125 ILE HB . . 4.010 3.721 3.682 3.903 . 0 0 "[ . 1 . 2]" 1
111 1 18 VAL MG1 1 22 ALA MB . . 4.910 4.432 4.065 4.710 . 0 0 "[ . 1 . 2]" 1
112 1 61 SER HA 1 62 THR MG . . 4.810 4.514 3.970 4.801 . 0 0 "[ . 1 . 2]" 1
113 1 76 THR MG 1 80 VAL HA . . 4.860 4.848 4.806 4.861 0.001 11 0 "[ . 1 . 2]" 1
114 1 24 ALA H 1 24 ALA MB . . 3.570 2.145 2.033 2.247 . 0 0 "[ . 1 . 2]" 1
115 1 70 ALA MB 1 71 GLN H . . 3.920 2.513 2.304 2.738 . 0 0 "[ . 1 . 2]" 1
116 1 21 SER H 1 24 ALA MB . . 4.580 4.499 4.367 4.576 . 0 0 "[ . 1 . 2]" 1
117 1 56 ALA MB 1 57 GLU H . . 4.090 2.843 2.475 2.917 . 0 0 "[ . 1 . 2]" 1
118 1 24 ALA MB 1 28 PHE QD . . 4.170 3.315 2.597 4.022 . 0 0 "[ . 1 . 2]" 1
119 1 24 ALA MB 1 28 PHE QE . . 4.330 3.206 2.630 3.970 . 0 0 "[ . 1 . 2]" 1
120 1 32 ALA MB 1 33 ASP HA . . 4.470 4.117 3.835 4.419 . 0 0 "[ . 1 . 2]" 1
121 1 52 MET ME 1 56 ALA MB . . 5.360 4.480 3.694 5.198 . 0 0 "[ . 1 . 2]" 1
122 1 18 VAL MG2 1 22 ALA MB . . 4.270 3.293 2.842 3.530 . 0 0 "[ . 1 . 2]" 1
123 1 20 ILE MG 1 24 ALA MB . . 3.380 2.932 2.611 3.273 . 0 0 "[ . 1 . 2]" 1
124 1 12 ASN H 1 13 LEU HB2 . . 4.820 4.613 4.590 4.655 . 0 0 "[ . 1 . 2]" 1
125 1 15 ILE HA 1 19 LEU HB2 . . 4.560 4.501 4.428 4.560 0.000 5 0 "[ . 1 . 2]" 1
126 1 127 ILE HB 1 128 LEU HA . . 4.620 4.504 4.444 4.596 . 0 0 "[ . 1 . 2]" 1
127 1 71 GLN QG 1 72 TYR H . . 4.370 4.053 3.507 4.369 . 0 0 "[ . 1 . 2]" 1
128 1 71 GLN H 1 71 GLN QG . . 4.250 3.722 2.750 4.055 . 0 0 "[ . 1 . 2]" 1
129 1 59 MET HA 1 59 MET ME . . 4.260 3.460 2.092 4.251 . 0 0 "[ . 1 . 2]" 1
130 1 125 ILE MG 1 129 MET ME . . 3.950 2.956 1.945 3.890 . 0 0 "[ . 1 . 2]" 1
131 1 60 PRO HB2 1 61 SER H . . 4.350 2.738 2.218 3.686 . 0 0 "[ . 1 . 2]" 1
132 1 52 MET HB3 1 56 ALA MB . . 4.810 4.720 4.496 4.808 . 0 0 "[ . 1 . 2]" 1
133 1 33 ASP HA 1 37 LYS QE . . 4.930 4.630 3.043 4.924 . 0 0 "[ . 1 . 2]" 1
134 1 134 PHE HA 1 134 PHE HD1 . . 4.190 2.906 2.229 4.156 . 0 0 "[ . 1 . 2]" 1
135 1 77 MET HA 1 81 GLY H . . 3.970 3.734 3.362 4.005 0.035 16 0 "[ . 1 . 2]" 1
136 1 76 THR HA 1 79 ILE MG . . 3.860 2.412 2.209 3.911 0.051 16 0 "[ . 1 . 2]" 1
137 1 79 ILE MG 1 80 VAL HA . . 3.990 3.283 3.076 3.317 . 0 0 "[ . 1 . 2]" 1
138 1 118 VAL HA 1 119 PHE HA . . 4.900 4.847 4.801 4.890 . 0 0 "[ . 1 . 2]" 1
139 1 74 ALA MB 1 75 SER HA . . 4.130 3.731 3.620 3.787 . 0 0 "[ . 1 . 2]" 1
140 1 69 ILE HA 1 70 ALA MB . . 5.150 4.959 4.925 4.985 . 0 0 "[ . 1 . 2]" 1
141 1 131 ALA MB 1 132 PRO HA . . 4.540 4.524 4.511 4.540 . 0 0 "[ . 1 . 2]" 1
142 1 56 ALA HA 1 57 GLU HA . . 5.390 4.779 4.706 4.817 . 0 0 "[ . 1 . 2]" 1
143 1 81 GLY HA3 1 82 LEU HA . . 4.420 4.297 4.294 4.325 . 0 0 "[ . 1 . 2]" 1
144 1 77 MET HA 1 80 VAL HB . . 3.830 2.336 2.215 2.907 . 0 0 "[ . 1 . 2]" 1
145 1 128 LEU HA 1 129 MET ME . . 5.410 5.023 4.670 5.406 . 0 0 "[ . 1 . 2]" 1
146 1 19 LEU HA 1 22 ALA MB . . 4.100 3.148 2.807 3.502 . 0 0 "[ . 1 . 2]" 1
147 1 130 SER HA 1 131 ALA MB . . 4.660 4.416 3.959 4.659 . 0 0 "[ . 1 . 2]" 1
148 1 127 ILE HG13 1 128 LEU HA . . 4.150 3.372 3.184 3.860 . 0 0 "[ . 1 . 2]" 1
149 1 46 LEU HA 1 49 THR MG . . 4.100 2.060 1.901 2.409 . 0 0 "[ . 1 . 2]" 1
150 1 127 ILE MD 1 128 LEU HA . . 4.430 4.333 2.653 4.430 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU HB2 1 14 LEU HA . . 4.870 4.815 4.744 4.861 . 0 0 "[ . 1 . 2]" 1
152 1 89 ILE HB 1 90 VAL HA . . 4.370 4.222 4.173 4.297 . 0 0 "[ . 1 . 2]" 1
153 1 124 THR H 1 124 THR MG . . 4.400 1.996 1.925 2.118 . 0 0 "[ . 1 . 2]" 1
154 1 58 ILE H 1 58 ILE MG . . 3.880 2.338 1.926 2.507 . 0 0 "[ . 1 . 2]" 1
155 1 108 ILE MG 1 109 ASP H . . 3.440 3.378 3.141 3.691 0.251 18 0 "[ . 1 . 2]" 1
156 1 125 ILE H 1 125 ILE MD . . 3.920 3.417 3.233 3.553 . 0 0 "[ . 1 . 2]" 1
157 1 58 ILE H 1 58 ILE MD . . 4.560 3.696 3.595 4.381 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL MG1 1 19 LEU HA . . 4.520 3.280 3.139 3.305 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE HA 1 15 ILE MD . . 4.220 2.412 2.409 2.434 . 0 0 "[ . 1 . 2]" 1
160 1 11 LEU HA 1 15 ILE MD . . 4.010 3.745 3.682 3.801 . 0 0 "[ . 1 . 2]" 1
161 1 58 ILE HA 1 58 ILE MD . . 4.530 4.146 3.765 4.181 . 0 0 "[ . 1 . 2]" 1
162 1 14 LEU H 1 15 ILE MD . . 4.090 3.443 3.440 3.475 . 0 0 "[ . 1 . 2]" 1
163 1 58 ILE HG12 1 58 ILE MG . . 3.020 2.316 2.252 2.400 . 0 0 "[ . 1 . 2]" 1
164 1 76 THR MG 1 79 ILE MG . . 3.650 2.932 2.772 3.653 0.003 16 0 "[ . 1 . 2]" 1
165 1 78 ILE MG 1 79 ILE HA . . 4.460 3.421 3.249 3.703 . 0 0 "[ . 1 . 2]" 1
166 1 88 VAL H 1 88 VAL MG2 . . 4.690 2.007 1.914 2.317 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL MG1 1 19 LEU H . . 4.220 1.961 1.926 2.199 . 0 0 "[ . 1 . 2]" 1
168 1 121 ILE HB 1 124 THR MG . . 4.680 4.583 3.752 4.687 0.007 17 0 "[ . 1 . 2]" 1
169 1 15 ILE HA 1 18 VAL MG1 . . 4.670 2.769 2.750 2.785 . 0 0 "[ . 1 . 2]" 1
170 1 124 THR MG 1 125 ILE HA . . 4.360 3.471 3.399 3.614 . 0 0 "[ . 1 . 2]" 1
171 1 49 THR MG 1 50 VAL HB . . 4.410 3.829 3.784 3.972 . 0 0 "[ . 1 . 2]" 1
172 1 43 THR MG 1 44 VAL HA . . 4.190 3.466 3.276 3.611 . 0 0 "[ . 1 . 2]" 1
173 1 47 SER HA 1 49 THR MG . . 4.800 4.222 4.159 4.430 . 0 0 "[ . 1 . 2]" 1
174 1 76 THR MG 1 77 MET HA . . 4.960 3.668 3.478 4.015 . 0 0 "[ . 1 . 2]" 1
175 1 32 ALA MB 1 34 SER H . . 4.260 2.638 2.303 4.015 . 0 0 "[ . 1 . 2]" 1
176 1 24 ALA MB 1 25 LEU H . . 3.600 2.580 2.422 2.824 . 0 0 "[ . 1 . 2]" 1
177 1 115 ALA MB 1 116 PHE HA . . 3.980 3.788 3.684 3.885 . 0 0 "[ . 1 . 2]" 1
178 1 52 MET H 1 54 LEU H . . 4.460 4.020 3.811 4.218 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE H 1 21 SER H . . 4.000 2.670 2.455 2.918 . 0 0 "[ . 1 . 2]" 1
180 1 135 VAL H 1 136 GLU H . . 4.570 4.054 2.397 4.555 . 0 0 "[ . 1 . 2]" 1
181 1 8 TYR H 1 8 TYR QD . . 4.030 2.317 1.966 2.861 . 0 0 "[ . 1 . 2]" 1
182 1 60 PRO HA 1 61 SER H . . 3.350 2.379 2.151 2.570 . 0 0 "[ . 1 . 2]" 1
183 1 61 SER HA 1 62 THR H . . 3.280 2.421 2.156 2.941 . 0 0 "[ . 1 . 2]" 1
184 1 64 ASP HA 1 65 SER H . . 3.520 2.474 2.140 3.499 . 0 0 "[ . 1 . 2]" 1
185 1 135 VAL HA 1 136 GLU H . . 3.400 2.391 2.144 3.423 0.023 9 0 "[ . 1 . 2]" 1
186 1 50 VAL HA 1 53 LEU H . . 3.950 3.591 3.360 3.801 . 0 0 "[ . 1 . 2]" 1
187 1 27 VAL H 1 27 VAL HB . . 4.020 2.580 2.508 2.622 . 0 0 "[ . 1 . 2]" 1
188 1 135 VAL H 1 135 VAL HB . . 3.950 3.488 2.610 3.927 . 0 0 "[ . 1 . 2]" 1
189 1 29 LEU H 1 29 LEU HB2 . . 3.760 2.103 2.056 2.178 . 0 0 "[ . 1 . 2]" 1
190 1 78 ILE H 1 78 ILE HB . . 3.960 2.581 2.546 2.633 . 0 0 "[ . 1 . 2]" 1
191 1 122 ILE H 1 122 ILE HB . . 4.040 2.523 2.427 2.599 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU H 1 13 LEU HB2 . . 3.640 2.166 2.149 2.202 . 0 0 "[ . 1 . 2]" 1
193 1 29 LEU H 1 29 LEU HB3 . . 3.760 3.378 3.226 3.490 . 0 0 "[ . 1 . 2]" 1
194 1 56 ALA H 1 56 ALA MB . . 3.640 2.205 2.077 2.271 . 0 0 "[ . 1 . 2]" 1
195 1 70 ALA MB 1 72 TYR H . . 4.550 4.453 4.282 4.530 . 0 0 "[ . 1 . 2]" 1
196 1 58 ILE H 1 58 ILE HG12 . . 4.840 2.143 1.980 4.442 . 0 0 "[ . 1 . 2]" 1
197 1 127 ILE HG13 1 128 LEU H . . 4.040 2.324 2.000 2.444 . 0 0 "[ . 1 . 2]" 1
198 1 62 THR H 1 62 THR MG . . 3.960 3.203 2.201 3.851 . 0 0 "[ . 1 . 2]" 1
199 1 18 VAL H 1 18 VAL MG2 . . 3.880 3.769 3.765 3.792 . 0 0 "[ . 1 . 2]" 1
200 1 80 VAL H 1 80 VAL MG1 . . 3.920 3.766 3.755 3.769 . 0 0 "[ . 1 . 2]" 1
201 1 85 VAL H 1 85 VAL MG1 . . 3.960 3.266 1.921 3.771 . 0 0 "[ . 1 . 2]" 1
202 1 86 VAL H 1 86 VAL MG2 . . 4.300 2.409 1.978 3.779 . 0 0 "[ . 1 . 2]" 1
203 1 118 VAL H 1 118 VAL MG1 . . 3.950 2.118 1.983 2.351 . 0 0 "[ . 1 . 2]" 1
204 1 44 VAL H 1 44 VAL MG2 . . 3.820 2.483 1.973 3.785 . 0 0 "[ . 1 . 2]" 1
205 1 86 VAL MG2 1 87 THR H . . 4.200 3.815 2.381 4.000 . 0 0 "[ . 1 . 2]" 1
206 1 27 VAL H 1 27 VAL MG2 . . 3.610 2.241 1.953 2.395 . 0 0 "[ . 1 . 2]" 1
207 1 57 GLU H 1 58 ILE MG . . 4.290 4.192 3.782 4.285 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE H 1 15 ILE MG . . 3.860 3.662 3.662 3.663 . 0 0 "[ . 1 . 2]" 1
209 1 79 ILE H 1 79 ILE MG . . 3.540 2.131 1.918 3.712 0.172 16 0 "[ . 1 . 2]" 1
210 1 29 LEU H 1 29 LEU MD2 . . 4.170 3.492 2.191 4.167 . 0 0 "[ . 1 . 2]" 1
211 1 85 VAL MG2 1 86 VAL H . . 4.250 3.630 2.150 3.879 . 0 0 "[ . 1 . 2]" 1
212 1 135 VAL H 1 135 VAL MG1 . . 3.990 3.278 2.058 3.983 . 0 0 "[ . 1 . 2]" 1
213 1 135 VAL H 1 135 VAL MG2 . . 3.990 2.458 1.940 3.787 . 0 0 "[ . 1 . 2]" 1
214 1 121 ILE H 1 121 ILE MG . . 4.060 3.602 1.982 3.776 . 0 0 "[ . 1 . 2]" 1
215 1 55 VAL H 1 55 VAL MG2 . . 4.090 2.071 1.934 2.308 . 0 0 "[ . 1 . 2]" 1
216 1 136 GLU HA 1 137 GLU H . . 3.510 2.490 2.146 3.509 . 0 0 "[ . 1 . 2]" 1
217 1 131 ALA H 1 131 ALA MB . . 3.670 2.726 2.594 2.863 . 0 0 "[ . 1 . 2]" 1
218 1 135 VAL MG2 1 136 GLU H . . 4.700 3.746 2.975 4.311 . 0 0 "[ . 1 . 2]" 1
219 1 26 LEU H 1 27 VAL MG2 . . 4.830 4.169 3.990 4.313 . 0 0 "[ . 1 . 2]" 1
220 1 87 THR H 1 87 THR MG . . 4.170 2.397 2.055 2.883 . 0 0 "[ . 1 . 2]" 1
221 1 11 LEU HA 1 15 ILE H . . 4.810 4.530 4.443 4.541 . 0 0 "[ . 1 . 2]" 1
222 1 43 THR MG 1 44 VAL H . . 4.210 3.189 3.092 3.405 . 0 0 "[ . 1 . 2]" 1
223 1 117 SER QB 1 118 VAL H . . 4.110 2.264 2.065 2.550 . 0 0 "[ . 1 . 2]" 1
224 1 80 VAL H 1 80 VAL HB . . 4.100 2.530 2.506 2.696 . 0 0 "[ . 1 . 2]" 1
225 1 44 VAL H 1 44 VAL HB . . 4.110 3.113 2.534 3.633 . 0 0 "[ . 1 . 2]" 1
226 1 132 PRO HA 1 133 ASN H . . 3.490 2.696 2.151 3.477 . 0 0 "[ . 1 . 2]" 1
227 1 27 VAL H 1 30 LEU H . . 5.500 4.756 4.463 5.002 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU H 1 13 LEU MD1 . . 4.390 2.625 2.370 3.211 . 0 0 "[ . 1 . 2]" 1
229 1 8 TYR QD 1 9 TYR H . . 4.650 4.374 3.952 4.474 . 0 0 "[ . 1 . 2]" 1
230 1 15 ILE H 1 15 ILE HB . . 4.110 2.268 2.267 2.269 . 0 0 "[ . 1 . 2]" 1
231 1 20 ILE H 1 20 ILE HB . . 3.970 2.559 2.513 2.613 . 0 0 "[ . 1 . 2]" 1
232 1 20 ILE H 1 20 ILE MD . . 4.550 3.400 3.154 3.561 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL MG1 1 20 ILE H . . 4.810 4.466 4.356 4.579 . 0 0 "[ . 1 . 2]" 1
234 1 29 LEU H 1 29 LEU MD1 . . 4.170 3.201 2.272 4.168 . 0 0 "[ . 1 . 2]" 1
235 1 27 VAL HA 1 30 LEU H . . 4.430 3.195 3.007 3.595 . 0 0 "[ . 1 . 2]" 1
236 1 28 PHE H 1 28 PHE QD . . 4.110 2.753 2.131 3.426 . 0 0 "[ . 1 . 2]" 1
237 1 58 ILE H 1 58 ILE HB . . 4.090 3.577 2.662 3.648 . 0 0 "[ . 1 . 2]" 1
238 1 85 VAL H 1 85 VAL HB . . 4.180 2.668 2.517 3.623 . 0 0 "[ . 1 . 2]" 1
239 1 85 VAL H 1 85 VAL MG2 . . 3.960 2.484 1.916 3.790 . 0 0 "[ . 1 . 2]" 1
240 1 124 THR H 1 124 THR HB . . 4.120 2.600 2.530 2.697 . 0 0 "[ . 1 . 2]" 1
241 1 18 VAL H 1 18 VAL MG1 . . 4.210 2.098 1.950 2.140 . 0 0 "[ . 1 . 2]" 1
242 1 69 ILE H 1 69 ILE MG . . 4.640 2.008 1.943 2.181 . 0 0 "[ . 1 . 2]" 1
243 1 37 LYS H 1 37 LYS HB2 . . 3.990 2.565 2.090 3.596 . 0 0 "[ . 1 . 2]" 1
244 1 37 LYS H 1 37 LYS QD . . 4.370 4.193 3.486 4.369 . 0 0 "[ . 1 . 2]" 1
245 1 43 THR HB 1 44 VAL H . . 4.300 2.267 2.177 2.477 . 0 0 "[ . 1 . 2]" 1
246 1 49 THR H 1 49 THR MG . . 4.380 1.944 1.926 1.986 . 0 0 "[ . 1 . 2]" 1
247 1 46 LEU HA 1 49 THR H . . 4.690 3.641 3.552 3.849 . 0 0 "[ . 1 . 2]" 1
248 1 50 VAL H 1 50 VAL HB . . 3.680 2.515 2.504 2.529 . 0 0 "[ . 1 . 2]" 1
249 1 50 VAL H 1 50 VAL MG2 . . 4.120 2.283 2.235 2.336 . 0 0 "[ . 1 . 2]" 1
250 1 50 VAL H 1 50 VAL MG1 . . 4.120 3.768 3.765 3.773 . 0 0 "[ . 1 . 2]" 1
251 1 69 ILE HB 1 70 ALA H . . 5.160 4.055 3.994 4.107 . 0 0 "[ . 1 . 2]" 1
252 1 69 ILE H 1 69 ILE HG13 . . 4.740 4.439 4.395 4.480 . 0 0 "[ . 1 . 2]" 1
253 1 69 ILE H 1 69 ILE HG12 . . 4.740 4.511 4.441 4.621 . 0 0 "[ . 1 . 2]" 1
254 1 73 PHE H 1 73 PHE QD . . 5.220 3.944 3.481 4.154 . 0 0 "[ . 1 . 2]" 1
255 1 78 ILE HB 1 79 ILE H . . 4.980 2.287 2.086 2.883 . 0 0 "[ . 1 . 2]" 1
256 1 85 VAL HB 1 86 VAL H . . 4.320 3.004 2.368 4.030 . 0 0 "[ . 1 . 2]" 1
257 1 118 VAL H 1 118 VAL MG2 . . 3.950 3.678 2.168 3.764 . 0 0 "[ . 1 . 2]" 1
258 1 125 ILE H 1 125 ILE HB . . 3.560 2.511 2.492 2.524 . 0 0 "[ . 1 . 2]" 1
259 1 96 HIS HB2 1 97 ASP H . . 5.180 4.157 2.330 4.620 . 0 0 "[ . 1 . 2]" 1
260 1 96 HIS HB3 1 97 ASP H . . 5.180 3.681 1.987 4.489 . 0 0 "[ . 1 . 2]" 1
261 1 125 ILE MG 1 129 MET H . . 4.620 3.830 3.345 4.072 . 0 0 "[ . 1 . 2]" 1
262 1 127 ILE H 1 127 ILE HB . . 3.690 3.630 3.609 3.651 . 0 0 "[ . 1 . 2]" 1
263 1 127 ILE H 1 127 ILE MG . . 3.770 2.496 2.279 2.661 . 0 0 "[ . 1 . 2]" 1
264 1 124 THR MG 1 125 ILE H . . 4.130 2.082 1.975 2.392 . 0 0 "[ . 1 . 2]" 1
265 1 108 ILE H 1 108 ILE HB . . 4.100 2.664 2.563 3.626 . 0 0 "[ . 1 . 2]" 1
266 1 108 ILE H 1 108 ILE MG . . 4.140 3.673 1.952 3.772 . 0 0 "[ . 1 . 2]" 1
267 1 108 ILE H 1 108 ILE MD . . 4.180 2.430 1.927 3.674 . 0 0 "[ . 1 . 2]" 1
268 1 93 TYR H 1 93 TYR HD1 . . 4.460 4.251 2.820 5.116 0.656 4 5 "[ +* 1 .* *-]" 1
269 1 88 VAL H 1 88 VAL HB . . 3.990 3.300 2.517 3.627 . 0 0 "[ . 1 . 2]" 1
270 1 88 VAL H 1 88 VAL MG1 . . 4.690 2.803 2.242 3.768 . 0 0 "[ . 1 . 2]" 1
271 1 85 VAL MG1 1 86 VAL H . . 4.250 3.288 2.152 4.015 . 0 0 "[ . 1 . 2]" 1
272 1 86 VAL H 1 86 VAL MG1 . . 4.300 3.533 2.056 3.782 . 0 0 "[ . 1 . 2]" 1
273 1 89 ILE HB 1 90 VAL H . . 3.670 2.351 2.184 2.902 . 0 0 "[ . 1 . 2]" 1
274 1 9 TYR H 1 9 TYR QD . . 4.830 4.050 2.610 4.210 . 0 0 "[ . 1 . 2]" 1
275 1 72 TYR H 1 72 TYR HD2 . . 4.900 3.413 2.842 3.967 . 0 0 "[ . 1 . 2]" 1
276 1 51 PHE H 1 51 PHE HD1 . . 4.800 3.710 2.342 4.899 0.099 13 0 "[ . 1 . 2]" 1
277 1 134 PHE H 1 135 VAL H . . 3.980 2.658 2.057 3.718 . 0 0 "[ . 1 . 2]" 1
278 1 119 PHE H 1 119 PHE QD . . 5.340 3.149 2.646 4.173 . 0 0 "[ . 1 . 2]" 1
279 1 89 ILE MG 1 90 VAL H . . 4.330 3.185 2.909 3.680 . 0 0 "[ . 1 . 2]" 1
280 1 38 ILE H 1 38 ILE MG . . 4.250 2.754 1.938 3.778 . 0 0 "[ . 1 . 2]" 1
281 1 60 PRO HB3 1 61 SER H . . 4.350 3.538 3.268 4.106 . 0 0 "[ . 1 . 2]" 1
282 1 86 VAL H 1 87 THR MG . . 4.500 4.048 3.680 4.500 . 0 0 "[ . 1 . 2]" 1
283 1 125 ILE MG 1 126 GLY H . . 4.900 3.725 3.638 3.783 . 0 0 "[ . 1 . 2]" 1
284 1 12 ASN H 1 15 ILE MD . . 5.220 3.832 3.826 3.886 . 0 0 "[ . 1 . 2]" 1
285 1 13 LEU HB2 1 14 LEU H . . 4.200 3.181 3.155 3.207 . 0 0 "[ . 1 . 2]" 1
286 1 21 SER H 1 22 ALA MB . . 4.980 4.388 4.306 4.484 . 0 0 "[ . 1 . 2]" 1
287 1 20 ILE MG 1 24 ALA H . . 4.230 3.803 3.492 4.049 . 0 0 "[ . 1 . 2]" 1
288 1 20 ILE HA 1 24 ALA H . . 4.260 4.012 3.715 4.217 . 0 0 "[ . 1 . 2]" 1
289 1 21 SER HA 1 25 LEU H . . 4.560 4.283 3.916 4.554 . 0 0 "[ . 1 . 2]" 1
290 1 27 VAL MG1 1 32 ALA H . . 4.200 3.341 3.025 4.145 . 0 0 "[ . 1 . 2]" 1
291 1 44 VAL MG1 1 45 LEU H . . 4.410 3.351 1.918 3.966 . 0 0 "[ . 1 . 2]" 1
292 1 121 ILE H 1 124 THR MG . . 5.000 4.283 4.043 4.392 . 0 0 "[ . 1 . 2]" 1
293 1 85 VAL HA 1 88 VAL H . . 4.140 3.673 3.564 3.809 . 0 0 "[ . 1 . 2]" 1
294 1 58 ILE HG12 1 59 MET H . . 4.360 2.992 2.702 3.935 . 0 0 "[ . 1 . 2]" 1
295 1 67 PRO HA 1 70 ALA H . . 4.190 3.951 3.665 4.170 . 0 0 "[ . 1 . 2]" 1
296 1 74 ALA MB 1 75 SER H . . 4.300 2.344 2.092 2.549 . 0 0 "[ . 1 . 2]" 1
297 1 112 CYS HB3 1 113 LEU H . . 4.390 3.299 2.263 4.028 . 0 0 "[ . 1 . 2]" 1
298 1 80 VAL H 1 80 VAL MG2 . . 3.920 2.302 2.090 2.365 . 0 0 "[ . 1 . 2]" 1
299 1 80 VAL HB 1 81 GLY H . . 4.320 2.625 2.362 2.946 . 0 0 "[ . 1 . 2]" 1
300 1 81 GLY HA3 1 83 SER H . . 4.200 4.216 4.201 4.344 0.144 20 0 "[ . 1 . 2]" 1
301 1 85 VAL HA 1 89 ILE H . . 4.730 4.404 4.206 4.718 . 0 0 "[ . 1 . 2]" 1
302 1 18 VAL MG2 1 19 LEU H . . 3.810 3.726 3.707 3.737 . 0 0 "[ . 1 . 2]" 1
303 1 112 CYS HB2 1 113 LEU H . . 4.390 2.962 2.385 3.709 . 0 0 "[ . 1 . 2]" 1
304 1 118 VAL HA 1 122 ILE H . . 4.740 3.858 3.111 3.982 . 0 0 "[ . 1 . 2]" 1
305 1 127 ILE H 1 127 ILE HG13 . . 4.240 2.797 2.110 3.018 . 0 0 "[ . 1 . 2]" 1
306 1 130 SER H 1 131 ALA MB . . 4.900 4.547 4.389 4.755 . 0 0 "[ . 1 . 2]" 1
307 1 135 VAL HB 1 136 GLU H . . 4.420 3.290 2.045 4.415 . 0 0 "[ . 1 . 2]" 1
308 1 4 GLU HA 1 7 LEU QB . . 4.030 2.795 2.204 3.537 . 0 0 "[ . 1 . 2]" 1
309 1 6 GLU QB 1 7 LEU H . . 3.960 2.828 2.511 3.562 . 0 0 "[ . 1 . 2]" 1
310 1 6 GLU QB 1 7 LEU QD . . 5.160 4.387 3.146 5.025 . 0 0 "[ . 1 . 2]" 1
311 1 10 GLY QA 1 13 LEU H . . 4.180 3.427 3.329 3.550 . 0 0 "[ . 1 . 2]" 1
312 1 13 LEU HA 1 13 LEU QD . . 4.140 2.730 2.431 2.847 . 0 0 "[ . 1 . 2]" 1
313 1 17 CYS QB 1 18 VAL MG1 . . 4.620 3.819 3.764 3.863 . 0 0 "[ . 1 . 2]" 1
314 1 26 LEU QB 1 26 LEU QD . . 2.770 1.870 1.761 2.026 . 0 0 "[ . 1 . 2]" 1
315 1 29 LEU QD 1 30 LEU H . . 4.360 4.059 3.924 4.207 . 0 0 "[ . 1 . 2]" 1
316 1 35 GLY H 1 36 GLU QB . . 4.740 3.750 3.427 4.286 . 0 0 "[ . 1 . 2]" 1
317 1 35 GLY QA 1 38 ILE H . . 3.940 3.404 2.980 3.751 . 0 0 "[ . 1 . 2]" 1
318 1 35 GLY QA 1 38 ILE MG . . 3.880 3.241 2.275 3.876 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLU QB 1 37 LYS H . . 4.360 2.719 2.210 3.390 . 0 0 "[ . 1 . 2]" 1
320 1 40 LEU QB 1 43 THR MG . . 4.220 4.213 4.153 4.242 0.022 6 0 "[ . 1 . 2]" 1
321 1 45 LEU QB 1 46 LEU HB3 . . 4.490 4.427 4.281 4.487 . 0 0 "[ . 1 . 2]" 1
322 1 49 THR HA 1 52 MET QB . . 4.020 2.838 2.640 2.980 . 0 0 "[ . 1 . 2]" 1
323 1 51 PHE HA 1 54 LEU QB . . 4.390 2.656 2.395 2.895 . 0 0 "[ . 1 . 2]" 1
324 1 52 MET QB 1 53 LEU H . . 4.070 2.426 2.263 2.584 . 0 0 "[ . 1 . 2]" 1
325 1 52 MET QG 1 53 LEU QD . . 4.070 3.929 3.604 4.054 . 0 0 "[ . 1 . 2]" 1
326 1 54 LEU QB 1 55 VAL H . . 3.800 2.345 2.147 2.563 . 0 0 "[ . 1 . 2]" 1
327 1 58 ILE H 1 58 ILE QG . . 4.460 2.090 1.947 3.977 . 0 0 "[ . 1 . 2]" 1
328 1 58 ILE QG 1 58 ILE MG . . 3.150 2.264 2.209 2.336 . 0 0 "[ . 1 . 2]" 1
329 1 58 ILE QG 1 59 MET ME . . 2.870 2.637 2.061 2.870 . 0 0 "[ . 1 . 2]" 1
330 1 69 ILE QG 1 70 ALA H . . 4.790 3.902 3.806 3.985 . 0 0 "[ . 1 . 2]" 1
331 1 70 ALA MB 1 71 GLN QB . . 4.200 3.828 3.677 4.091 . 0 0 "[ . 1 . 2]" 1
332 1 82 LEU HB3 1 85 VAL QG . . 3.760 3.726 3.433 3.825 0.065 17 0 "[ . 1 . 2]" 1
333 1 82 LEU HB3 1 86 VAL QG . . 4.240 3.512 2.848 4.212 . 0 0 "[ . 1 . 2]" 1
334 1 92 GLN QB 1 93 TYR H . . 3.850 2.745 2.230 2.940 . 0 0 "[ . 1 . 2]" 1
335 1 106 GLU QG 1 108 ILE MD . . 3.880 3.312 2.032 3.860 . 0 0 "[ . 1 . 2]" 1
336 1 111 LEU HA 1 114 MET QB . . 3.930 3.035 2.419 3.917 . 0 0 "[ . 1 . 2]" 1
337 1 112 CYS QB 1 113 LEU QD . . 4.270 3.837 3.199 4.227 . 0 0 "[ . 1 . 2]" 1
338 1 118 VAL MG1 1 122 ILE QG . . 3.600 3.574 3.497 3.656 0.056 15 0 "[ . 1 . 2]" 1
339 1 118 VAL MG2 1 122 ILE QG . . 3.340 2.068 1.875 3.236 . 0 0 "[ . 1 . 2]" 1
340 1 122 ILE QG 1 122 ILE MG . . 3.070 2.267 2.197 2.360 . 0 0 "[ . 1 . 2]" 1
341 1 134 PHE QD 1 135 VAL QG . . 4.180 3.627 2.218 4.180 . 0 0 "[ . 1 . 2]" 1
342 1 4 GLU H 1 4 GLU QB . . 2.980 2.440 2.055 2.629 . 0 0 "[ . 1 . 2]" 1
343 1 4 GLU H 1 4 GLU QG . . 3.530 2.331 1.966 3.319 . 0 0 "[ . 1 . 2]" 1
344 1 4 GLU H 1 5 GLU QG . . 4.070 3.914 3.656 4.051 . 0 0 "[ . 1 . 2]" 1
345 1 4 GLU HA 1 4 GLU QG . . 3.660 2.764 2.222 3.363 . 0 0 "[ . 1 . 2]" 1
346 1 4 GLU QB 1 4 GLU QG . . 2.370 2.045 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
347 1 4 GLU QB 1 5 GLU H . . 4.080 2.862 2.312 3.577 . 0 0 "[ . 1 . 2]" 1
348 1 4 GLU QG 1 5 GLU H . . 4.300 3.519 2.011 4.255 . 0 0 "[ . 1 . 2]" 1
349 1 5 GLU H 1 5 GLU QG . . 3.750 2.083 1.940 2.244 . 0 0 "[ . 1 . 2]" 1
350 1 5 GLU QB 1 6 GLU H . . 3.650 2.783 2.139 3.565 . 0 0 "[ . 1 . 2]" 1
351 1 5 GLU QG 1 6 GLU H . . 4.880 3.377 2.020 4.176 . 0 0 "[ . 1 . 2]" 1
352 1 6 GLU H 1 6 GLU QB . . 3.550 2.218 2.070 2.525 . 0 0 "[ . 1 . 2]" 1
353 1 7 LEU H 1 7 LEU QB . . 3.140 2.148 2.020 2.451 . 0 0 "[ . 1 . 2]" 1
354 1 7 LEU H 1 7 LEU QD . . 4.610 3.392 1.991 3.721 . 0 0 "[ . 1 . 2]" 1
355 1 7 LEU QB 1 7 LEU QD . . 2.850 1.845 1.757 2.000 . 0 0 "[ . 1 . 2]" 1
356 1 7 LEU QB 1 8 TYR H . . 3.500 2.369 2.114 2.643 . 0 0 "[ . 1 . 2]" 1
357 1 7 LEU QB 1 8 TYR QD . . 4.090 2.867 2.303 3.944 . 0 0 "[ . 1 . 2]" 1
358 1 7 LEU QB 1 9 TYR H . . 4.930 4.502 4.222 4.819 . 0 0 "[ . 1 . 2]" 1
359 1 7 LEU QD 1 8 TYR H . . 3.940 3.647 2.833 3.938 . 0 0 "[ . 1 . 2]" 1
360 1 7 LEU QD 1 8 TYR QD . . 4.600 3.624 2.688 4.391 . 0 0 "[ . 1 . 2]" 1
361 1 8 TYR H 1 8 TYR QB . . 3.360 2.258 2.181 2.449 . 0 0 "[ . 1 . 2]" 1
362 1 8 TYR QB 1 8 TYR HE1 . . 4.630 4.536 4.432 4.604 . 0 0 "[ . 1 . 2]" 1
363 1 8 TYR QB 1 9 TYR H . . 3.870 2.684 2.243 2.919 . 0 0 "[ . 1 . 2]" 1
364 1 9 TYR H 1 9 TYR QB . . 3.690 2.251 2.172 2.277 . 0 0 "[ . 1 . 2]" 1
365 1 9 TYR HA 1 12 ASN QD . . 4.590 3.867 2.990 4.549 . 0 0 "[ . 1 . 2]" 1
366 1 9 TYR HA 1 13 LEU QD . . 3.490 3.404 2.836 3.483 . 0 0 "[ . 1 . 2]" 1
367 1 9 TYR QB 1 10 GLY H . . 4.020 2.225 2.155 2.405 . 0 0 "[ . 1 . 2]" 1
368 1 9 TYR QD 1 13 LEU QD . . 3.880 2.832 2.536 3.036 . 0 0 "[ . 1 . 2]" 1
369 1 9 TYR QE 1 13 LEU QD . . 4.200 2.648 2.262 4.110 . 0 0 "[ . 1 . 2]" 1
370 1 10 GLY H 1 13 LEU QD . . 4.000 3.957 3.873 3.997 . 0 0 "[ . 1 . 2]" 1
371 1 10 GLY QA 1 13 LEU QD . . 4.840 2.657 2.294 2.916 . 0 0 "[ . 1 . 2]" 1
372 1 11 LEU H 1 11 LEU QB . . 3.640 2.099 2.021 2.227 . 0 0 "[ . 1 . 2]" 1
373 1 11 LEU H 1 11 LEU QD . . 4.420 3.373 2.681 3.719 . 0 0 "[ . 1 . 2]" 1
374 1 11 LEU HA 1 14 LEU QB . . 4.200 2.585 2.406 2.747 . 0 0 "[ . 1 . 2]" 1
375 1 11 LEU QB 1 12 ASN H . . 3.940 2.355 2.169 2.564 . 0 0 "[ . 1 . 2]" 1
376 1 11 LEU QD 1 12 ASN H . . 4.500 3.709 2.975 3.976 . 0 0 "[ . 1 . 2]" 1
377 1 12 ASN H 1 12 ASN QB . . 3.690 2.177 2.045 2.476 . 0 0 "[ . 1 . 2]" 1
378 1 12 ASN H 1 12 ASN QD . . 5.050 3.426 2.273 4.554 . 0 0 "[ . 1 . 2]" 1
379 1 12 ASN H 1 13 LEU QD . . 4.960 4.015 3.762 4.558 . 0 0 "[ . 1 . 2]" 1
380 1 12 ASN QB 1 13 LEU HB2 . . 5.010 4.493 4.434 4.544 . 0 0 "[ . 1 . 2]" 1
381 1 12 ASN QB 1 13 LEU QD . . 3.720 2.926 2.591 3.720 . 0 0 "[ . 1 . 2]" 1
382 1 13 LEU H 1 13 LEU QD . . 3.640 2.598 2.357 3.135 . 0 0 "[ . 1 . 2]" 1
383 1 13 LEU HB2 1 13 LEU QD . . 2.940 2.091 1.934 2.149 . 0 0 "[ . 1 . 2]" 1
384 1 14 LEU H 1 14 LEU QD . . 4.730 3.462 2.576 3.769 . 0 0 "[ . 1 . 2]" 1
385 1 14 LEU QB 1 15 ILE MD . . 3.330 2.940 2.842 3.033 . 0 0 "[ . 1 . 2]" 1
386 1 15 ILE H 1 15 ILE QG . . 3.920 3.458 3.456 3.458 . 0 0 "[ . 1 . 2]" 1
387 1 15 ILE H 1 16 PRO QD . . 4.200 2.130 2.130 2.131 . 0 0 "[ . 1 . 2]" 1
388 1 15 ILE QG 1 15 ILE MG . . 2.560 2.090 2.088 2.091 . 0 0 "[ . 1 . 2]" 1
389 1 15 ILE MG 1 16 PRO QB . . 4.460 3.199 3.198 3.199 . 0 0 "[ . 1 . 2]" 1
390 1 16 PRO QB 1 17 CYS H . . 3.920 3.008 2.996 3.117 . 0 0 "[ . 1 . 2]" 1
391 1 17 CYS QB 1 18 VAL H . . 4.210 2.299 2.133 2.496 . 0 0 "[ . 1 . 2]" 1
392 1 17 CYS QB 1 19 LEU H . . 4.720 4.329 4.297 4.520 . 0 0 "[ . 1 . 2]" 1
393 1 19 LEU HB2 1 19 LEU QD . . 2.770 2.105 2.027 2.257 . 0 0 "[ . 1 . 2]" 1
394 1 24 ALA MB 1 25 LEU QB . . 3.930 3.865 3.720 3.926 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU H 1 25 LEU QB . . 3.660 2.206 2.153 2.229 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU H 1 25 LEU QD . . 4.390 3.659 3.564 3.725 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU HA 1 29 LEU QD . . 4.240 3.898 3.247 4.195 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU QD 1 29 LEU H . . 4.720 4.106 3.659 4.516 . 0 0 "[ . 1 . 2]" 1
399 1 25 LEU QD 1 29 LEU QD . . 3.080 2.402 1.910 2.883 . 0 0 "[ . 1 . 2]" 1
400 1 26 LEU H 1 26 LEU QD . . 4.350 3.267 2.379 3.723 . 0 0 "[ . 1 . 2]" 1
401 1 26 LEU HA 1 26 LEU QD . . 3.380 2.426 1.937 2.939 . 0 0 "[ . 1 . 2]" 1
402 1 26 LEU QB 1 27 VAL H . . 3.850 2.631 2.230 2.837 . 0 0 "[ . 1 . 2]" 1
403 1 26 LEU QB 1 27 VAL MG2 . . 3.850 2.955 2.659 3.215 . 0 0 "[ . 1 . 2]" 1
404 1 26 LEU QB 1 28 PHE H . . 5.060 4.588 4.403 4.760 . 0 0 "[ . 1 . 2]" 1
405 1 28 PHE QB 1 29 LEU H . . 3.860 2.693 2.494 2.881 . 0 0 "[ . 1 . 2]" 1
406 1 29 LEU H 1 29 LEU QD . . 3.660 2.579 2.182 2.917 . 0 0 "[ . 1 . 2]" 1
407 1 29 LEU HA 1 29 LEU QD . . 3.410 2.250 1.969 2.796 . 0 0 "[ . 1 . 2]" 1
408 1 30 LEU H 1 30 LEU QB . . 3.620 2.487 2.239 2.698 . 0 0 "[ . 1 . 2]" 1
409 1 30 LEU H 1 30 LEU QD . . 3.940 3.295 2.545 3.879 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU QB 1 32 ALA H . . 4.660 4.426 4.090 4.658 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU QD 1 31 PRO QD . . 3.880 3.403 2.500 3.838 . 0 0 "[ . 1 . 2]" 1
412 1 33 ASP H 1 33 ASP QB . . 3.610 2.618 2.265 3.052 . 0 0 "[ . 1 . 2]" 1
413 1 34 SER H 1 34 SER QB . . 3.610 2.415 2.141 2.950 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLU H 1 36 GLU QB . . 3.470 2.247 2.042 2.616 . 0 0 "[ . 1 . 2]" 1
415 1 37 LYS QE 1 37 LYS QG . . 3.300 2.156 1.993 2.414 . 0 0 "[ . 1 . 2]" 1
416 1 40 LEU H 1 40 LEU QD . . 3.890 2.795 2.014 3.604 . 0 0 "[ . 1 . 2]" 1
417 1 40 LEU QD 1 41 GLY H . . 4.390 3.965 2.927 4.157 . 0 0 "[ . 1 . 2]" 1
418 1 43 THR HA 1 44 VAL QG . . 5.150 4.580 4.354 4.842 . 0 0 "[ . 1 . 2]" 1
419 1 43 THR HB 1 44 VAL QG . . 4.180 3.145 2.786 3.781 . 0 0 "[ . 1 . 2]" 1
420 1 44 VAL QG 1 45 LEU H . . 3.740 2.342 1.912 3.304 . 0 0 "[ . 1 . 2]" 1
421 1 44 VAL QG 1 46 LEU H . . 5.020 4.357 4.099 4.800 . 0 0 "[ . 1 . 2]" 1
422 1 45 LEU H 1 45 LEU QD . . 4.210 3.619 3.243 3.733 . 0 0 "[ . 1 . 2]" 1
423 1 45 LEU H 1 46 LEU QB . . 4.680 4.479 4.317 4.628 . 0 0 "[ . 1 . 2]" 1
424 1 45 LEU QB 1 46 LEU H . . 4.140 2.361 2.140 2.606 . 0 0 "[ . 1 . 2]" 1
425 1 45 LEU QB 1 46 LEU QB . . 4.110 3.721 3.575 3.851 . 0 0 "[ . 1 . 2]" 1
426 1 45 LEU QB 1 49 THR MG . . 5.340 4.854 4.603 5.092 . 0 0 "[ . 1 . 2]" 1
427 1 45 LEU QD 1 46 LEU H . . 4.760 3.489 2.821 4.004 . 0 0 "[ . 1 . 2]" 1
428 1 46 LEU H 1 46 LEU QB . . 3.570 2.218 2.183 2.244 . 0 0 "[ . 1 . 2]" 1
429 1 46 LEU H 1 46 LEU QD . . 5.100 3.679 3.606 3.744 . 0 0 "[ . 1 . 2]" 1
430 1 46 LEU QB 1 47 SER H . . 4.060 2.798 2.375 2.898 . 0 0 "[ . 1 . 2]" 1
431 1 46 LEU QB 1 49 THR MG . . 4.550 3.667 3.515 3.974 . 0 0 "[ . 1 . 2]" 1
432 1 46 LEU QD 1 47 SER H . . 4.200 3.409 3.110 3.780 . 0 0 "[ . 1 . 2]" 1
433 1 46 LEU QD 1 47 SER HA . . 3.830 3.201 2.630 3.826 . 0 0 "[ . 1 . 2]" 1
434 1 46 LEU QD 1 49 THR MG . . 3.330 3.166 2.448 3.330 . 0 0 "[ . 1 . 2]" 1
435 1 46 LEU QD 1 50 VAL HB . . 4.590 4.132 3.782 4.475 . 0 0 "[ . 1 . 2]" 1
436 1 48 LEU QB 1 49 THR H . . 3.700 2.250 2.115 2.372 . 0 0 "[ . 1 . 2]" 1
437 1 48 LEU QB 1 49 THR MG . . 5.340 3.735 3.569 3.833 . 0 0 "[ . 1 . 2]" 1
438 1 48 LEU QD 1 49 THR H . . 3.830 3.446 3.091 3.577 . 0 0 "[ . 1 . 2]" 1
439 1 48 LEU QD 1 49 THR HA . . 3.690 3.435 2.993 3.659 . 0 0 "[ . 1 . 2]" 1
440 1 48 LEU QD 1 52 MET H . . 3.660 3.541 3.353 3.658 . 0 0 "[ . 1 . 2]" 1
441 1 48 LEU QD 1 52 MET HA . . 4.430 4.258 4.020 4.429 . 0 0 "[ . 1 . 2]" 1
442 1 48 LEU QD 1 52 MET QG . . 4.290 3.818 3.566 4.124 . 0 0 "[ . 1 . 2]" 1
443 1 49 THR MG 1 50 VAL QG . . 3.960 1.986 1.952 2.110 . 0 0 "[ . 1 . 2]" 1
444 1 50 VAL H 1 50 VAL QG . . 3.590 2.264 2.219 2.315 . 0 0 "[ . 1 . 2]" 1
445 1 50 VAL HA 1 53 LEU QD . . 3.720 3.359 2.881 3.696 . 0 0 "[ . 1 . 2]" 1
446 1 50 VAL QG 1 51 PHE H . . 3.930 3.140 2.948 3.338 . 0 0 "[ . 1 . 2]" 1
447 1 51 PHE HA 1 54 LEU QD . . 4.720 3.067 2.079 3.889 . 0 0 "[ . 1 . 2]" 1
448 1 52 MET H 1 52 MET QG . . 4.720 3.959 3.879 4.019 . 0 0 "[ . 1 . 2]" 1
449 1 52 MET QG 1 56 ALA MB . . 4.170 3.082 2.836 3.449 . 0 0 "[ . 1 . 2]" 1
450 1 53 LEU H 1 53 LEU QB . . 3.560 2.107 2.021 2.576 . 0 0 "[ . 1 . 2]" 1
451 1 54 LEU H 1 54 LEU QB . . 3.420 2.084 2.022 2.347 . 0 0 "[ . 1 . 2]" 1
452 1 54 LEU H 1 54 LEU QD . . 3.630 3.060 2.453 3.603 . 0 0 "[ . 1 . 2]" 1
453 1 54 LEU HA 1 54 LEU QD . . 3.240 2.425 1.894 2.940 . 0 0 "[ . 1 . 2]" 1
454 1 55 VAL H 1 55 VAL QG . . 3.580 2.001 1.836 2.289 . 0 0 "[ . 1 . 2]" 1
455 1 55 VAL QG 1 56 ALA MB . . 4.390 3.435 2.800 4.033 . 0 0 "[ . 1 . 2]" 1
456 1 56 ALA H 1 57 GLU QB . . 4.690 4.165 4.099 4.340 . 0 0 "[ . 1 . 2]" 1
457 1 56 ALA MB 1 57 GLU QB . . 4.710 3.999 3.813 4.107 . 0 0 "[ . 1 . 2]" 1
458 1 57 GLU H 1 57 GLU QB . . 3.450 2.234 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
459 1 57 GLU HA 1 57 GLU QG . . 3.720 2.524 2.294 3.072 . 0 0 "[ . 1 . 2]" 1
460 1 57 GLU QB 1 58 ILE H . . 3.820 2.608 2.438 2.843 . 0 0 "[ . 1 . 2]" 1
461 1 57 GLU QG 1 58 ILE H . . 4.200 3.774 3.399 4.167 . 0 0 "[ . 1 . 2]" 1
462 1 57 GLU QG 1 58 ILE HA . . 4.610 3.889 3.405 4.539 . 0 0 "[ . 1 . 2]" 1
463 1 59 MET H 1 59 MET QB . . 3.450 2.430 2.053 2.623 . 0 0 "[ . 1 . 2]" 1
464 1 59 MET H 1 59 MET QG . . 4.280 3.755 2.580 4.236 . 0 0 "[ . 1 . 2]" 1
465 1 59 MET H 1 60 PRO QD . . 4.740 3.225 2.154 4.368 . 0 0 "[ . 1 . 2]" 1
466 1 60 PRO QB 1 61 SER H . . 3.610 2.639 2.184 3.436 . 0 0 "[ . 1 . 2]" 1
467 1 60 PRO QB 1 62 THR H . . 4.550 3.649 2.449 4.532 . 0 0 "[ . 1 . 2]" 1
468 1 61 SER H 1 61 SER QB . . 3.530 2.704 2.233 3.442 . 0 0 "[ . 1 . 2]" 1
469 1 61 SER QB 1 62 THR MG . . 4.960 4.317 3.310 4.917 . 0 0 "[ . 1 . 2]" 1
470 1 63 SER H 1 63 SER QB . . 3.620 2.796 2.095 3.442 . 0 0 "[ . 1 . 2]" 1
471 1 64 ASP H 1 64 ASP QB . . 3.370 2.614 2.052 3.315 . 0 0 "[ . 1 . 2]" 1
472 1 64 ASP QB 1 65 SER H . . 4.380 3.655 2.254 4.040 . 0 0 "[ . 1 . 2]" 1
473 1 65 SER H 1 65 SER QB . . 3.230 2.670 2.157 3.206 . 0 0 "[ . 1 . 2]" 1
474 1 65 SER HA 1 67 PRO QD . . 4.840 3.741 2.995 4.806 . 0 0 "[ . 1 . 2]" 1
475 1 66 SER H 1 66 SER QB . . 3.220 2.858 2.448 3.216 . 0 0 "[ . 1 . 2]" 1
476 1 66 SER H 1 67 PRO QD . . 4.280 2.778 2.432 3.118 . 0 0 "[ . 1 . 2]" 1
477 1 67 PRO QB 1 68 SER H . . 3.990 3.472 2.945 3.824 . 0 0 "[ . 1 . 2]" 1
478 1 67 PRO QB 1 70 ALA MB . . 3.950 2.491 1.958 3.574 . 0 0 "[ . 1 . 2]" 1
479 1 68 SER H 1 68 SER QB . . 3.510 2.386 2.151 2.735 . 0 0 "[ . 1 . 2]" 1
480 1 69 ILE MG 1 73 PHE QB . . 4.200 4.005 3.791 4.192 . 0 0 "[ . 1 . 2]" 1
481 1 69 ILE QG 1 73 PHE QB . . 4.230 2.819 2.338 3.290 . 0 0 "[ . 1 . 2]" 1
482 1 69 ILE MD 1 73 PHE QB . . 4.660 4.032 3.447 4.532 . 0 0 "[ . 1 . 2]" 1
483 1 71 GLN H 1 71 GLN QB . . 3.690 2.183 2.042 2.248 . 0 0 "[ . 1 . 2]" 1
484 1 71 GLN QB 1 72 TYR H . . 4.130 2.628 2.387 2.845 . 0 0 "[ . 1 . 2]" 1
485 1 72 TYR H 1 72 TYR QB . . 3.670 2.139 2.055 2.301 . 0 0 "[ . 1 . 2]" 1
486 1 72 TYR QB 1 72 TYR HE1 . . 4.750 4.542 4.448 4.585 . 0 0 "[ . 1 . 2]" 1
487 1 77 MET H 1 77 MET QB . . 3.530 2.189 2.044 2.249 . 0 0 "[ . 1 . 2]" 1
488 1 77 MET H 1 80 VAL QG . . 3.820 3.812 3.777 3.871 0.051 17 0 "[ . 1 . 2]" 1
489 1 77 MET HA 1 77 MET QG . . 3.730 2.315 2.031 2.493 . 0 0 "[ . 1 . 2]" 1
490 1 77 MET HA 1 80 VAL QG . . 3.970 2.602 2.519 2.699 . 0 0 "[ . 1 . 2]" 1
491 1 77 MET QB 1 78 ILE H . . 4.350 2.776 2.199 2.943 . 0 0 "[ . 1 . 2]" 1
492 1 77 MET QG 1 80 VAL QG . . 3.890 3.735 3.528 3.885 . 0 0 "[ . 1 . 2]" 1
493 1 80 VAL H 1 80 VAL QG . . 3.400 2.282 2.079 2.342 . 0 0 "[ . 1 . 2]" 1
494 1 80 VAL QG 1 81 GLY H . . 4.180 3.235 3.061 3.428 . 0 0 "[ . 1 . 2]" 1
495 1 81 GLY HA3 1 82 LEU QD . . 3.630 3.501 3.105 3.633 0.003 16 0 "[ . 1 . 2]" 1
496 1 82 LEU H 1 82 LEU QD . . 3.680 2.309 1.907 2.705 . 0 0 "[ . 1 . 2]" 1
497 1 82 LEU QB 1 83 SER H . . 3.880 2.914 2.885 3.026 . 0 0 "[ . 1 . 2]" 1
498 1 82 LEU QD 1 83 SER H . . 4.230 3.956 3.574 4.155 . 0 0 "[ . 1 . 2]" 1
499 1 85 VAL H 1 85 VAL QG . . 3.450 2.102 1.830 2.251 . 0 0 "[ . 1 . 2]" 1
500 1 85 VAL QG 1 86 VAL H . . 3.660 2.915 2.137 3.327 . 0 0 "[ . 1 . 2]" 1
501 1 86 VAL H 1 86 VAL QG . . 3.710 2.216 1.964 2.338 . 0 0 "[ . 1 . 2]" 1
502 1 86 VAL QG 1 87 THR H . . 3.560 3.197 2.351 3.470 . 0 0 "[ . 1 . 2]" 1
503 1 88 VAL H 1 88 VAL QG . . 3.840 1.949 1.818 2.296 . 0 0 "[ . 1 . 2]" 1
504 1 88 VAL H 1 89 ILE QG . . 4.400 4.224 4.043 4.364 . 0 0 "[ . 1 . 2]" 1
505 1 88 VAL QG 1 89 ILE H . . 4.900 2.403 2.019 3.271 . 0 0 "[ . 1 . 2]" 1
506 1 88 VAL QG 1 89 ILE HA . . 4.860 3.351 3.241 3.566 . 0 0 "[ . 1 . 2]" 1
507 1 88 VAL QG 1 89 ILE QG . . 3.740 2.472 1.939 3.735 . 0 0 "[ . 1 . 2]" 1
508 1 89 ILE QG 1 90 VAL H . . 4.310 3.938 3.868 4.072 . 0 0 "[ . 1 . 2]" 1
509 1 90 VAL H 1 90 VAL QG . . 4.110 2.055 1.810 2.213 . 0 0 "[ . 1 . 2]" 1
510 1 91 LEU H 1 91 LEU QB . . 3.520 2.174 2.030 2.253 . 0 0 "[ . 1 . 2]" 1
511 1 91 LEU H 1 91 LEU QD . . 4.850 3.441 2.471 3.743 . 0 0 "[ . 1 . 2]" 1
512 1 91 LEU HA 1 91 LEU QD . . 3.840 2.318 1.948 3.144 . 0 0 "[ . 1 . 2]" 1
513 1 91 LEU QB 1 91 LEU QD . . 2.700 1.897 1.751 2.037 . 0 0 "[ . 1 . 2]" 1
514 1 97 ASP HA 1 98 PRO QD . . 3.330 2.171 2.029 3.468 0.138 20 0 "[ . 1 . 2]" 1
515 1 98 PRO QB 1 99 ASP H . . 3.890 3.090 2.096 3.890 . 0 0 "[ . 1 . 2]" 1
516 1 99 ASP H 1 99 ASP QB . . 3.160 2.682 2.125 3.100 . 0 0 "[ . 1 . 2]" 1
517 1 99 ASP QB 1 100 GLY H . . 4.110 3.163 2.038 4.026 . 0 0 "[ . 1 . 2]" 1
518 1 100 GLY QA 1 101 GLY H . . 3.040 2.253 2.113 2.668 . 0 0 "[ . 1 . 2]" 1
519 1 101 GLY QA 1 102 GLU H . . 3.080 2.251 2.110 2.759 . 0 0 "[ . 1 . 2]" 1
520 1 101 GLY QA 1 102 GLU HA . . 4.850 3.965 3.929 4.033 . 0 0 "[ . 1 . 2]" 1
521 1 101 GLY QA 1 102 GLU QG . . 3.730 3.552 3.241 3.725 . 0 0 "[ . 1 . 2]" 1
522 1 102 GLU H 1 102 GLU QB . . 3.600 2.636 2.364 3.247 . 0 0 "[ . 1 . 2]" 1
523 1 102 GLU H 1 102 GLU QG . . 4.030 2.632 1.959 3.488 . 0 0 "[ . 1 . 2]" 1
524 1 102 GLU HA 1 102 GLU QG . . 3.600 2.785 2.250 3.341 . 0 0 "[ . 1 . 2]" 1
525 1 102 GLU HA 1 103 GLY QA . . 5.240 4.009 3.889 4.480 . 0 0 "[ . 1 . 2]" 1
526 1 102 GLU QB 1 103 GLY QA . . 4.360 3.882 3.509 4.260 . 0 0 "[ . 1 . 2]" 1
527 1 102 GLU QG 1 103 GLY H . . 4.550 3.959 2.424 4.529 . 0 0 "[ . 1 . 2]" 1
528 1 103 GLY QA 1 104 GLY H . . 2.850 2.267 2.114 2.709 . 0 0 "[ . 1 . 2]" 1
529 1 104 GLY QA 1 105 GLY H . . 3.090 2.321 2.112 2.795 . 0 0 "[ . 1 . 2]" 1
530 1 106 GLU H 1 106 GLU QB . . 3.190 2.427 2.105 2.716 . 0 0 "[ . 1 . 2]" 1
531 1 106 GLU H 1 106 GLU QG . . 3.850 3.213 2.020 3.849 . 0 0 "[ . 1 . 2]" 1
532 1 106 GLU QB 1 107 GLY H . . 3.780 2.798 2.015 3.552 . 0 0 "[ . 1 . 2]" 1
533 1 110 ARG H 1 110 ARG QB . . 3.640 2.153 2.042 2.400 . 0 0 "[ . 1 . 2]" 1
534 1 111 LEU H 1 111 LEU QB . . 3.440 2.121 2.023 2.239 . 0 0 "[ . 1 . 2]" 1
535 1 111 LEU H 1 111 LEU QD . . 3.910 3.397 2.589 3.707 . 0 0 "[ . 1 . 2]" 1
536 1 111 LEU QB 1 112 CYS H . . 4.040 2.511 2.214 2.762 . 0 0 "[ . 1 . 2]" 1
537 1 111 LEU QD 1 112 CYS H . . 4.900 3.789 2.989 4.086 . 0 0 "[ . 1 . 2]" 1
538 1 112 CYS H 1 112 CYS QB . . 3.670 2.213 2.043 2.549 . 0 0 "[ . 1 . 2]" 1
539 1 113 LEU H 1 113 LEU QB . . 3.270 2.213 2.021 2.487 . 0 0 "[ . 1 . 2]" 1
540 1 113 LEU H 1 113 LEU QD . . 4.610 3.160 2.635 3.526 . 0 0 "[ . 1 . 2]" 1
541 1 113 LEU HA 1 113 LEU QD . . 3.290 2.221 1.862 2.829 . 0 0 "[ . 1 . 2]" 1
542 1 113 LEU QD 1 114 MET H . . 4.900 3.877 3.566 4.168 . 0 0 "[ . 1 . 2]" 1
543 1 114 MET H 1 114 MET QG . . 4.500 3.513 2.639 4.037 . 0 0 "[ . 1 . 2]" 1
544 1 116 PHE H 1 116 PHE QB . . 3.580 2.214 2.069 2.278 . 0 0 "[ . 1 . 2]" 1
545 1 118 VAL QG 1 119 PHE H . . 3.960 2.144 1.988 2.363 . 0 0 "[ . 1 . 2]" 1
546 1 118 VAL QG 1 119 PHE QB . . 4.920 3.313 3.136 3.413 . 0 0 "[ . 1 . 2]" 1
547 1 118 VAL QG 1 122 ILE H . . 4.020 3.368 3.115 4.044 0.024 17 0 "[ . 1 . 2]" 1
548 1 118 VAL QG 1 122 ILE QG . . 3.310 2.045 1.869 2.984 . 0 0 "[ . 1 . 2]" 1
549 1 121 ILE H 1 121 ILE QG . . 4.390 2.128 1.936 3.993 . 0 0 "[ . 1 . 2]" 1
550 1 121 ILE QG 1 121 ILE MG . . 3.340 2.277 2.094 2.329 . 0 0 "[ . 1 . 2]" 1
551 1 122 ILE HA 1 122 ILE QG . . 3.590 2.819 2.340 2.960 . 0 0 "[ . 1 . 2]" 1
552 1 122 ILE QG 1 123 CYS H . . 4.440 4.108 4.084 4.176 . 0 0 "[ . 1 . 2]" 1
553 1 123 CYS QB 1 124 THR H . . 3.950 2.314 2.155 2.530 . 0 0 "[ . 1 . 2]" 1
554 1 125 ILE MG 1 129 MET QG . . 3.880 2.993 2.316 3.880 . 0 0 "[ . 1 . 2]" 1
555 1 127 ILE HG13 1 128 LEU QB . . 4.010 3.413 3.186 3.745 . 0 0 "[ . 1 . 2]" 1
556 1 128 LEU HA 1 128 LEU QD . . 4.000 2.439 1.934 3.082 . 0 0 "[ . 1 . 2]" 1
557 1 128 LEU QB 1 129 MET H . . 3.870 2.535 2.282 2.794 . 0 0 "[ . 1 . 2]" 1
558 1 128 LEU QB 1 129 MET ME . . 3.760 3.187 2.496 3.728 . 0 0 "[ . 1 . 2]" 1
559 1 128 LEU QD 1 129 MET H . . 5.130 3.664 2.816 4.065 . 0 0 "[ . 1 . 2]" 1
560 1 128 LEU QD 1 129 MET ME . . 3.710 2.604 1.946 3.537 . 0 0 "[ . 1 . 2]" 1
561 1 129 MET H 1 129 MET QB . . 3.480 2.340 2.061 2.502 . 0 0 "[ . 1 . 2]" 1
562 1 129 MET H 1 129 MET QG . . 4.200 2.684 2.068 4.040 . 0 0 "[ . 1 . 2]" 1
563 1 129 MET QB 1 130 SER H . . 3.970 2.840 2.627 2.939 . 0 0 "[ . 1 . 2]" 1
564 1 129 MET QG 1 130 SER H . . 4.520 4.231 3.970 4.511 . 0 0 "[ . 1 . 2]" 1
565 1 130 SER H 1 130 SER QB . . 3.580 2.253 2.056 2.642 . 0 0 "[ . 1 . 2]" 1
566 1 130 SER QB 1 131 ALA H . . 4.150 3.070 2.854 3.569 . 0 0 "[ . 1 . 2]" 1
567 1 130 SER QB 1 131 ALA MB . . 4.460 3.765 3.140 4.415 . 0 0 "[ . 1 . 2]" 1
568 1 131 ALA H 1 132 PRO QD . . 3.840 2.706 2.438 2.992 . 0 0 "[ . 1 . 2]" 1
569 1 131 ALA MB 1 132 PRO QD . . 4.020 3.498 3.484 3.517 . 0 0 "[ . 1 . 2]" 1
570 1 132 PRO QB 1 133 ASN H . . 3.660 2.949 2.086 3.526 . 0 0 "[ . 1 . 2]" 1
571 1 133 ASN H 1 133 ASN QB . . 3.310 2.453 2.048 3.303 . 0 0 "[ . 1 . 2]" 1
572 1 133 ASN QB 1 134 PHE H . . 4.160 3.386 2.385 4.043 . 0 0 "[ . 1 . 2]" 1
573 1 133 ASN QB 1 135 VAL H . . 4.870 4.040 2.494 4.864 . 0 0 "[ . 1 . 2]" 1
574 1 134 PHE H 1 134 PHE QB . . 3.160 2.401 2.061 2.977 . 0 0 "[ . 1 . 2]" 1
575 1 134 PHE HA 1 135 VAL QG . . 4.190 3.867 3.162 4.157 . 0 0 "[ . 1 . 2]" 1
576 1 135 VAL H 1 135 VAL QG . . 3.490 2.322 1.913 2.891 . 0 0 "[ . 1 . 2]" 1
577 1 135 VAL QG 1 136 GLU H . . 3.680 3.040 2.139 3.564 . 0 0 "[ . 1 . 2]" 1
578 1 136 GLU H 1 136 GLU QB . . 3.490 2.453 2.081 3.328 . 0 0 "[ . 1 . 2]" 1
579 1 136 GLU QG 1 137 GLU H . . 3.940 3.090 1.978 3.867 . 0 0 "[ . 1 . 2]" 1
580 1 137 GLU H 1 137 GLU QB . . 3.260 2.611 2.118 3.193 . 0 0 "[ . 1 . 2]" 1
581 1 137 GLU H 1 137 GLU QG . . 4.240 3.457 1.966 4.205 . 0 0 "[ . 1 . 2]" 1
582 1 137 GLU HA 1 137 GLU QG . . 3.540 2.262 2.002 3.339 . 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 152
_Distance_constraint_stats_list.Viol_count 2966
_Distance_constraint_stats_list.Viol_total 25833.828
_Distance_constraint_stats_list.Viol_max 0.795
_Distance_constraint_stats_list.Viol_rms 0.2237
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4249
_Distance_constraint_stats_list.Viol_average_violations_only 0.4355
_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 4 GLU 17.785 0.703 3 10 "[ +** **1 ** -** 2]"
1 5 GLU 12.836 0.669 3 5 "[ *+ .- * *. 2]"
1 6 GLU 12.436 0.631 7 4 "[* * + 1 . -]"
1 7 LEU 15.182 0.748 16 7 "[ . *** * .+- *]"
1 8 TYR 34.813 0.716 14 14 "[ **** **1 **+**** -]"
1 9 TYR 12.836 0.669 3 5 "[ *+ .- * *. 2]"
1 10 GLY 29.365 0.680 10 16 "[**- *****+****.** *]"
1 11 LEU 33.389 0.748 16 7 "[ . *** * .+- *]"
1 12 ASN 17.028 0.716 14 8 "[ ** * 1 * +* * -]"
1 13 LEU 28.215 0.712 2 20 [*+**-***************]
1 14 LEU 25.401 0.680 10 13 "[ *- .****+****.** 2]"
1 15 ILE 32.141 0.484 13 0 "[ . 1 . 2]"
1 16 PRO 5.019 0.275 3 0 "[ . 1 . 2]"
1 17 CYS 50.173 0.737 3 20 [**+********-********]
1 18 VAL 21.090 0.460 6 0 "[ . 1 . 2]"
1 19 LEU 33.720 0.764 8 12 "[ - ** + *** *.****2]"
1 20 ILE 10.950 0.311 16 0 "[ . 1 . 2]"
1 21 SER 35.916 0.737 3 17 "[* +**** *1*-********]"
1 22 ALA 36.663 0.695 12 18 "[* ******-*+********]"
1 23 LEU 19.786 0.764 8 12 "[ - ** + *** *.****2]"
1 24 ALA 17.046 0.689 16 4 "[ * 1- * .+ 2]"
1 25 LEU 30.401 0.660 20 12 "[ ****- *1****. * +]"
1 26 LEU 24.046 0.695 12 18 "[* ******-*+********]"
1 28 PHE 11.115 0.689 16 4 "[ * 1- * .+ 2]"
1 29 LEU 16.442 0.660 20 8 "[ * . - *1 ***. * +]"
1 35 GLY 12.727 0.694 6 5 "[ - .+ 1 * .* * 2]"
1 36 GLU 12.824 0.639 9 5 "[ *. +- **. 2]"
1 37 LYS 14.863 0.685 10 9 "[* - . * *+ ** **2]"
1 38 ILE 0.007 0.002 9 0 "[ . 1 . 2]"
1 39 SER 12.742 0.694 6 5 "[ - .+ 1 * .* * 2]"
1 40 LEU 25.298 0.639 9 7 "[ *.* +* **. * 2]"
1 41 GLY 40.428 0.733 3 19 "[**+********* *******]"
1 42 ILE 0.007 0.002 9 0 "[ . 1 . 2]"
1 43 THR 16.602 0.700 14 9 "[ *.* -****+. * 2]"
1 44 VAL 28.244 0.699 7 14 "[*- .*+ *** **** ***]"
1 45 LEU 51.110 0.765 14 19 "[************ +**-***]"
1 46 LEU 24.885 0.696 20 19 "[* *******-*********+]"
1 47 SER 30.229 0.700 14 12 "[ *** -*****+. ** 2]"
1 48 LEU 15.771 0.699 7 9 "[*- . + 1* * ** **]"
1 49 THR 52.058 0.765 14 20 [*************+**-***]
1 50 VAL 49.120 0.719 4 20 [***+*********-******]
1 51 PHE 29.636 0.691 12 13 "[* * ***-+**. ****]"
1 52 MET 7.202 0.347 13 0 "[ . 1 . 2]"
1 53 LEU 38.234 0.749 17 20 [*-**************+***]
1 54 LEU 49.355 0.727 7 20 [******+******-******]
1 55 VAL 15.994 0.691 12 8 "[* . *-+ *. ***]"
1 56 ALA 7.202 0.347 13 0 "[ . 1 . 2]"
1 57 GLU 11.721 0.639 9 3 "[ . - +* . 2]"
1 58 ILE 25.120 0.727 7 20 [******+*****-*******]
1 69 ILE 4.958 0.360 17 0 "[ . 1 . 2]"
1 70 ALA 11.272 0.669 20 3 "[ . -1 .* +]"
1 71 GLN 16.906 0.754 1 9 "[+ * .*** 1- .** *2]"
1 72 TYR 20.276 0.729 16 12 "[*** - * 1* **+* **]"
1 73 PHE 29.807 0.738 9 18 "[********+1*****- ***]"
1 74 ALA 37.932 0.711 17 20 [********-*******+***]
1 75 SER 45.284 0.761 19 20 [**********-*******+*]
1 76 THR 26.105 0.729 16 12 "[*** - * 1* **+* **]"
1 77 MET 28.253 0.738 9 18 "[********+1*****- ***]"
1 78 ILE 52.574 0.795 17 20 [****************+*-*]
1 79 ILE 51.098 0.761 19 20 [********-*********+*]
1 80 VAL 29.251 0.779 17 15 "[* **.******** **+- 2]"
1 81 GLY 29.548 0.735 17 18 "[* *********-****+**2]"
1 82 LEU 42.973 0.795 17 20 [*-**************+***]
1 83 SER 44.996 0.723 13 20 [***********-+*******]
1 84 VAL 39.642 0.779 17 17 "[****.*******- **+* *]"
1 85 VAL 53.333 0.757 18 20 [***********-*****+**]
1 86 VAL 35.850 0.711 15 15 "[ *-** * *1* **+*****]"
1 87 THR 35.304 0.726 18 18 "[****.******-* ***+**]"
1 88 VAL 39.505 0.777 17 17 "[*- *** *********+ **]"
1 89 ILE 43.109 0.757 18 20 [***********-*****+**]
1 90 VAL 18.791 0.673 2 12 "[ +-** * *1* **.** *2]"
1 91 LEU 13.028 0.726 18 7 "[ .* * ** . *+ -]"
1 92 GLN 23.284 0.777 17 16 "[*- *** **1******+ **]"
1 93 TYR 15.920 0.696 8 8 "[ * *. *+ 1* - .* *2]"
1 107 GLY 12.937 0.683 18 2 "[ - 1 . + 2]"
1 108 ILE 16.743 0.721 13 8 "[ *** -1* + . **]"
1 109 ASP 15.519 0.640 3 9 "[- +*.** *1 * * *]"
1 110 ARG 13.526 0.686 18 6 "[ . * 1 -**.* + 2]"
1 111 LEU 29.863 0.750 13 9 "[ * ** * *+ . *-*2]"
1 112 CYS 33.878 0.721 13 14 "[* **** *** + *- ***]"
1 113 LEU 27.697 0.689 5 10 "[* *-+** *1 * * *]"
1 114 MET 38.134 0.776 6 20 [*****+******-*******]
1 115 ALA 37.726 0.750 13 17 "[ ***** *****+-*****2]"
1 116 PHE 39.238 0.699 5 18 "[****+** ******-****]"
1 117 SER 39.553 0.783 15 20 [***-**********+*****]
1 118 VAL 29.240 0.776 6 18 "[*****+ *****- ******]"
1 119 PHE 40.781 0.708 17 19 "[ ************-**+***]"
1 120 THR 22.103 0.698 15 18 "[-****** *****+*****]"
1 121 ILE 52.250 0.783 15 20 [**************+*-***]
1 122 ILE 11.907 0.419 9 0 "[ . 1 . 2]"
1 123 CYS 36.809 0.708 17 16 "[***-* * ** **** +***]"
1 124 THR 24.550 0.699 5 20 [****+*******-*******]
1 125 ILE 46.489 0.755 19 20 [****************-*+*]
1 126 GLY 7.275 0.419 9 0 "[ . 1 . 2]"
1 127 ILE 16.828 0.689 15 7 "[* * - ** + * 2]"
1 128 LEU 24.550 0.699 5 20 [****+*******-*******]
1 129 MET 21.614 0.755 19 14 "[ * ******** *.-**+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 4 GLU O 1 8 TYR H . . 1.800 2.217 1.813 2.427 0.627 3 8 "[ + - **1 ** .** 2]" 2
2 1 4 GLU O 1 8 TYR N . . 2.700 3.172 2.787 3.403 0.703 3 10 "[ +** **1 ** -** 2]" 2
3 1 5 GLU O 1 9 TYR H . . 1.800 2.126 1.828 2.469 0.669 3 5 "[ *+ .- * *. 2]" 2
4 1 5 GLU O 1 9 TYR N . . 2.700 3.016 2.759 3.305 0.605 3 3 "[ + .- * . 2]" 2
5 1 6 GLU O 1 10 GLY H . . 1.800 2.087 1.848 2.397 0.597 5 3 "[- + * 1 . 2]" 2
6 1 6 GLU O 1 10 GLY N . . 2.700 3.035 2.755 3.331 0.631 7 4 "[* * + 1 . -]" 2
7 1 7 LEU O 1 11 LEU H . . 1.800 2.178 1.814 2.489 0.689 16 7 "[ . *** * .+- *]" 2
8 1 7 LEU O 1 11 LEU N . . 2.700 3.081 2.768 3.448 0.748 16 5 "[ . *** .+ -]" 2
9 1 8 TYR O 1 12 ASN H . . 1.800 2.195 1.813 2.466 0.666 14 8 "[ ** * 1 * +* * -]" 2
10 1 8 TYR O 1 12 ASN N . . 2.700 3.156 2.782 3.416 0.716 14 8 "[ *- * 1 * +* * *]" 2
11 1 10 GLY O 1 14 LEU H . . 1.800 2.340 2.168 2.480 0.680 10 13 "[ *- .****+****.** 2]" 2
12 1 10 GLY O 1 14 LEU N . . 2.700 3.006 2.854 3.175 0.475 6 0 "[ . 1 . 2]" 2
13 1 11 LEU O 1 15 ILE H . . 1.800 2.278 2.227 2.284 0.484 13 0 "[ . 1 . 2]" 2
14 1 11 LEU O 1 15 ILE N . . 2.700 3.132 3.101 3.136 0.436 13 0 "[ . 1 . 2]" 2
15 1 13 LEU O 1 17 CYS H . . 1.800 2.502 2.501 2.502 0.702 2 20 [*+***-**************] 2
16 1 13 LEU O 1 17 CYS N . . 2.700 3.409 3.372 3.412 0.712 2 20 [*+**-***************] 2
17 1 14 LEU O 1 18 VAL H . . 1.800 1.980 1.962 2.170 0.370 5 0 "[ . 1 . 2]" 2
18 1 14 LEU O 1 18 VAL N . . 2.700 2.943 2.931 3.104 0.404 5 0 "[ . 1 . 2]" 2
19 1 15 ILE O 1 19 LEU H . . 1.800 2.193 2.122 2.242 0.442 6 0 "[ . 1 . 2]" 2
20 1 15 ILE O 1 19 LEU N . . 2.700 3.003 2.936 3.045 0.345 6 0 "[ . 1 . 2]" 2
21 1 16 PRO O 1 20 ILE H . . 1.800 1.892 1.800 2.013 0.213 4 0 "[ . 1 . 2]" 2
22 1 16 PRO O 1 20 ILE N . . 2.700 2.859 2.749 2.975 0.275 3 0 "[ . 1 . 2]" 2
23 1 17 CYS O 1 21 SER H . . 1.800 2.338 2.092 2.484 0.684 3 14 "[* +** - 1 *********]" 2
24 1 17 CYS O 1 21 SER N . . 2.700 3.260 3.033 3.437 0.737 3 14 "[* +** * *1 -****** *]" 2
25 1 18 VAL O 1 22 ALA H . . 1.800 2.103 1.904 2.219 0.419 6 0 "[ . 1 . 2]" 2
26 1 18 VAL O 1 22 ALA N . . 2.700 3.028 2.800 3.160 0.460 6 0 "[ . 1 . 2]" 2
27 1 19 LEU O 1 23 LEU H . . 1.800 2.260 1.824 2.487 0.687 8 9 "[ ** + -** *.* *2]" 2
28 1 19 LEU O 1 23 LEU N . . 2.700 3.230 2.801 3.464 0.764 8 12 "[ - ** + *** *.****2]" 2
29 1 20 ILE O 1 24 ALA H . . 1.800 1.957 1.822 2.111 0.311 16 0 "[ . 1 . 2]" 2
30 1 20 ILE O 1 24 ALA N . . 2.700 2.839 2.759 2.969 0.269 16 0 "[ . 1 . 2]" 2
31 1 21 SER O 1 25 LEU H . . 1.800 2.154 1.866 2.445 0.645 5 4 "[ -+* 1* . 2]" 2
32 1 21 SER O 1 25 LEU N . . 2.700 3.044 2.782 3.351 0.651 6 4 "[ **+ 1- . 2]" 2
33 1 22 ALA O 1 26 LEU H . . 1.800 2.407 2.192 2.495 0.695 12 18 "[* ******-*+********]" 2
34 1 22 ALA O 1 26 LEU N . . 2.700 3.295 3.120 3.380 0.680 7 16 "[* ***+*-1** *******]" 2
35 1 24 ALA O 1 28 PHE H . . 1.800 2.079 1.867 2.475 0.675 16 4 "[ * 1- * .+ 2]" 2
36 1 24 ALA O 1 28 PHE N . . 2.700 2.977 2.770 3.389 0.689 16 3 "[ - 1 * .+ 2]" 2
37 1 25 LEU O 1 29 LEU H . . 1.800 2.206 1.995 2.460 0.660 20 5 "[ . * -1 **. +]" 2
38 1 25 LEU O 1 29 LEU N . . 2.700 3.116 2.914 3.320 0.620 20 7 "[ * . - 1 ***. * +]" 2
39 1 35 GLY O 1 39 SER H . . 1.800 2.120 1.809 2.482 0.682 6 5 "[ * .+ 1 - .* * 2]" 2
40 1 35 GLY O 1 39 SER N . . 2.700 3.016 2.759 3.394 0.694 6 5 "[ - .+ 1 * .* * 2]" 2
41 1 36 GLU O 1 40 LEU H . . 1.800 2.097 1.838 2.374 0.574 9 5 "[ *. +- **. 2]" 2
42 1 36 GLU O 1 40 LEU N . . 2.700 3.044 2.803 3.339 0.639 9 5 "[ *. +* *-. 2]" 2
43 1 37 LYS O 1 41 GLY H . . 1.800 2.264 1.994 2.485 0.685 10 9 "[* * . - *+ ** **2]" 2
44 1 37 LYS O 1 41 GLY N . . 2.700 2.979 2.751 3.301 0.601 10 5 "[* - . *+ . * 2]" 2
45 1 38 ILE O 1 42 ILE H . . 2.500 2.468 2.399 2.502 0.002 9 0 "[ . 1 . 2]" 2
46 1 38 ILE O 1 42 ILE N . . 3.500 3.409 3.333 3.468 . 0 0 "[ . 1 . 2]" 2
47 1 39 SER O 1 43 THR H . . 2.500 2.456 2.326 2.504 0.004 9 0 "[ . 1 . 2]" 2
48 1 39 SER O 1 43 THR N . . 3.500 3.317 3.196 3.363 . 0 0 "[ . 1 . 2]" 2
49 1 40 LEU O 1 44 VAL H . . 1.800 2.078 1.825 2.301 0.501 9 1 "[ . +1 . 2]" 2
50 1 40 LEU O 1 44 VAL N . . 2.700 3.045 2.798 3.256 0.556 9 5 "[ .* +* -. * 2]" 2
51 1 41 GLY O 1 45 LEU H . . 1.800 2.448 2.189 2.501 0.701 9 19 "[****-***+*** *******]" 2
52 1 41 GLY O 1 45 LEU N . . 2.700 3.330 3.035 3.433 0.733 3 19 "[**+*-******* *******]" 2
53 1 43 THR O 1 47 SER H . . 1.800 2.252 1.947 2.500 0.700 14 9 "[ -.* *****+. * 2]" 2
54 1 43 THR O 1 47 SER N . . 2.700 3.077 2.780 3.378 0.678 6 8 "[ *.+ -1****. * 2]" 2
55 1 44 VAL O 1 48 LEU H . . 1.800 2.272 1.988 2.499 0.699 7 9 "[-* . + 1* * ** **]" 2
56 1 44 VAL O 1 48 LEU N . . 2.700 3.017 2.752 3.227 0.527 15 2 "[ - . 1 + 2]" 2
57 1 45 LEU O 1 49 THR H . . 1.800 2.407 2.202 2.495 0.695 18 18 "[*********** ***-+**]" 2
58 1 45 LEU O 1 49 THR N . . 2.700 3.371 3.160 3.465 0.765 14 19 "[***********- +******]" 2
59 1 46 LEU O 1 50 VAL H . . 1.800 2.425 2.103 2.496 0.696 20 19 "[* ***-*************+]" 2
60 1 46 LEU O 1 50 VAL N . . 2.700 3.319 3.010 3.392 0.692 12 19 "[* *******-*+********]" 2
61 1 47 SER O 1 51 PHE H . . 1.800 2.138 1.815 2.426 0.626 13 3 "[ . - 1 + . * 2]" 2
62 1 47 SER O 1 51 PHE N . . 2.700 3.044 2.788 3.271 0.571 13 3 "[ * -1 + . 2]" 2
63 1 49 THR O 1 53 LEU H . . 1.800 2.450 2.385 2.497 0.697 9 20 [-*******+***********] 2
64 1 49 THR O 1 53 LEU N . . 2.700 3.376 3.255 3.449 0.749 17 20 [*-**************+***] 2
65 1 50 VAL O 1 54 LEU H . . 1.800 2.424 2.250 2.497 0.697 1 18 "[+******* ****-**** *]" 2
66 1 50 VAL O 1 54 LEU N . . 2.700 3.288 3.103 3.419 0.719 4 16 "[*-*+** * **** **** *]" 2
67 1 51 PHE O 1 55 VAL H . . 1.800 2.164 1.862 2.424 0.624 12 5 "[ . *-+ *. * 2]" 2
68 1 51 PHE O 1 55 VAL N . . 2.700 3.136 2.835 3.391 0.691 12 8 "[- . **+ *. ***]" 2
69 1 52 MET O 1 56 ALA H . . 1.800 2.009 1.913 2.147 0.347 13 0 "[ . 1 . 2]" 2
70 1 52 MET O 1 56 ALA N . . 2.700 2.851 2.767 2.955 0.255 13 0 "[ . 1 . 2]" 2
71 1 53 LEU O 1 57 GLU H . . 1.800 2.185 2.058 2.439 0.639 9 3 "[ . - +* . 2]" 2
72 1 53 LEU O 1 57 GLU N . . 2.700 2.901 2.766 3.186 0.486 9 0 "[ . 1 . 2]" 2
73 1 54 LEU O 1 58 ILE H . . 1.800 2.425 2.309 2.497 0.697 20 20 [************-******+] 2
74 1 54 LEU O 1 58 ILE N . . 2.700 3.331 3.222 3.427 0.727 7 20 [******+***********-*] 2
75 1 69 ILE O 1 73 PHE H . . 1.800 1.903 1.821 2.129 0.329 17 0 "[ . 1 . 2]" 2
76 1 69 ILE O 1 73 PHE N . . 2.700 2.845 2.762 3.060 0.360 17 0 "[ . 1 . 2]" 2
77 1 70 ALA O 1 74 ALA H . . 1.800 2.087 1.842 2.469 0.669 20 3 "[ . -1 .* +]" 2
78 1 70 ALA O 1 74 ALA N . . 2.700 2.976 2.750 3.293 0.593 16 2 "[ . 1 .+ -]" 2
79 1 71 GLN O 1 75 SER H . . 1.800 2.192 1.860 2.487 0.687 1 9 "[+ * .*** 1- .** *2]" 2
80 1 71 GLN O 1 75 SER N . . 2.700 3.154 2.839 3.454 0.754 1 9 "[+ * .**- 1* .** *2]" 2
81 1 72 TYR O 1 76 THR H . . 1.800 2.337 2.040 2.500 0.700 2 12 "[*+- * * 1* **** **]" 2
82 1 72 TYR O 1 76 THR N . . 2.700 3.177 2.918 3.429 0.729 16 10 "[ * - * 1* **+* **]" 2
83 1 73 PHE O 1 77 MET H . . 1.800 2.399 2.161 2.500 0.700 5 17 "[****+****1***** -**]" 2
84 1 73 PHE O 1 77 MET N . . 2.700 3.344 3.091 3.438 0.738 9 18 "[********+1*****- ***]" 2
85 1 74 ALA O 1 78 ILE H . . 1.800 2.479 2.429 2.501 0.701 4 20 [***+***********-****] 2
86 1 74 ALA O 1 78 ILE N . . 2.700 3.354 3.305 3.411 0.711 17 20 [****************+-**] 2
87 1 75 SER O 1 79 ILE H . . 1.800 2.490 2.421 2.502 0.702 11 20 [**********+****-****] 2
88 1 75 SER O 1 79 ILE N . . 2.700 3.429 3.243 3.461 0.761 19 20 [***************-**+*] 2
89 1 76 THR O 1 80 VAL H . . 1.800 1.934 1.781 2.041 0.241 4 0 "[ . 1 . 2]" 2
90 1 76 THR O 1 80 VAL N . . 2.700 2.856 2.728 2.954 0.254 4 0 "[ . 1 . 2]" 2
91 1 77 MET O 1 81 GLY H . . 1.800 1.890 1.800 2.001 0.201 3 0 "[ . 1 . 2]" 2
92 1 77 MET O 1 81 GLY N . . 2.700 2.780 2.750 2.865 0.165 4 0 "[ . 1 . 2]" 2
93 1 78 ILE O 1 82 LEU H . . 1.800 2.419 2.221 2.517 0.717 17 18 "[****** *******.*+*-*]" 2
94 1 78 ILE O 1 82 LEU N . . 2.700 3.377 3.165 3.495 0.795 17 19 [******-*******.*+***] 2
95 1 79 ILE O 1 83 SER H . . 1.800 2.459 2.125 2.501 0.701 4 18 "[***+******-**** ***]" 2
96 1 79 ILE O 1 83 SER N . . 2.700 3.178 2.927 3.244 0.544 13 10 "[* **.** -* *+ * 2]" 2
97 1 80 VAL O 1 84 VAL H . . 1.800 2.397 1.896 2.519 0.719 17 15 "[* **.******** **+- 2]" 2
98 1 80 VAL O 1 84 VAL N . . 2.700 3.274 2.734 3.479 0.779 17 14 "[* **.******** -*+ 2]" 2
99 1 81 GLY O 1 85 VAL H . . 1.800 2.469 2.174 2.533 0.733 17 18 "[* *********-****+**2]" 2
100 1 81 GLY O 1 85 VAL N . . 2.700 3.339 3.032 3.435 0.735 17 18 "[* *********-****+**2]" 2
101 1 82 LEU O 1 86 VAL H . . 1.800 2.239 1.839 2.511 0.711 15 9 "[ - * * 1 **+ ***]" 2
102 1 82 LEU O 1 86 VAL N . . 2.700 3.114 2.767 3.375 0.675 5 7 "[ + 1 *** **-]" 2
103 1 83 SER O 1 87 THR H . . 1.800 2.396 1.995 2.513 0.713 17 15 "[ ***. *****-* **+ **]" 2
104 1 83 SER O 1 87 THR N . . 2.700 3.217 2.931 3.423 0.723 13 15 "[-***. ******+ *** *]" 2
105 1 84 VAL O 1 88 VAL H . . 1.800 2.191 1.840 2.492 0.692 20 7 "[** .* - ** . +]" 2
106 1 84 VAL O 1 88 VAL N . . 2.700 3.120 2.750 3.365 0.665 6 7 "[** .+ * *- . *]" 2
107 1 85 VAL O 1 89 ILE H . . 1.800 2.476 2.267 2.527 0.727 11 19 "[ *********+-********]" 2
108 1 85 VAL O 1 89 ILE N . . 2.700 3.383 3.246 3.457 0.757 18 20 [-****************+**] 2
109 1 86 VAL O 1 90 VAL H . . 1.800 2.257 1.965 2.436 0.636 2 10 "[ + -* * *1* **. * *2]" 2
110 1 86 VAL O 1 90 VAL N . . 2.700 3.183 2.927 3.373 0.673 2 12 "[ +-** * *1* **.** *2]" 2
111 1 87 THR O 1 91 LEU H . . 1.800 2.168 1.941 2.503 0.703 20 6 "[ .* 1 ** . *- +]" 2
112 1 87 THR O 1 91 LEU N . . 2.700 2.983 2.746 3.426 0.726 18 7 "[ .* * ** . *+ -]" 2
113 1 88 VAL O 1 92 GLN H . . 1.800 2.372 1.913 2.503 0.703 17 15 "[*- *** **1* ****+ **]" 2
114 1 88 VAL O 1 92 GLN N . . 2.700 3.292 2.822 3.477 0.777 17 12 "[ *** **1*-**. + **]" 2
115 1 89 ILE O 1 93 TYR H . . 1.800 2.196 1.895 2.484 0.684 8 8 "[ * *. *+ 1* - .* *2]" 2
116 1 89 ILE O 1 93 TYR N . . 2.700 3.100 2.779 3.396 0.696 8 7 "[ - *. *+ 1* .* *2]" 2
117 1 107 GLY O 1 111 LEU H . . 1.800 2.136 1.832 2.483 0.683 18 2 "[ - 1 . + 2]" 2
118 1 107 GLY O 1 111 LEU N . . 2.700 3.011 2.764 3.259 0.559 18 2 "[ - 1 . + 2]" 2
119 1 108 ILE O 1 112 CYS H . . 1.800 2.203 1.897 2.484 0.684 13 7 "[ ** -1* + . **]" 2
120 1 108 ILE O 1 112 CYS N . . 2.700 3.134 2.833 3.421 0.721 13 8 "[ *-* *1* + . **]" 2
121 1 109 ASP O 1 113 LEU H . . 1.800 2.192 1.865 2.439 0.639 1 6 "[+ * . * -1 * . *]" 2
122 1 109 ASP O 1 113 LEU N . . 2.700 3.084 2.844 3.340 0.640 3 6 "[- +*.* 1 * *]" 2
123 1 110 ARG O 1 114 MET H . . 1.800 2.124 1.836 2.486 0.686 18 5 "[ . * 1 -**. + 2]" 2
124 1 110 ARG O 1 114 MET N . . 2.700 3.052 2.769 3.349 0.649 13 5 "[ . * 1 +*.- * 2]" 2
125 1 111 LEU O 1 115 ALA H . . 1.800 2.218 1.842 2.499 0.699 19 9 "[ * ** * ** . *-+2]" 2
126 1 111 LEU O 1 115 ALA N . . 2.700 3.129 2.789 3.450 0.750 13 8 "[ *- * *+ . ***2]" 2
127 1 112 CYS O 1 116 PHE H . . 1.800 2.240 1.875 2.499 0.699 5 9 "[* *+* * -* * *]" 2
128 1 112 CYS O 1 116 PHE N . . 2.700 3.116 2.824 3.341 0.641 5 9 "[* *+* * *- * *]" 2
129 1 113 LEU O 1 117 SER H . . 1.800 2.117 1.834 2.489 0.689 5 2 "[ -+ 1 . 2]" 2
130 1 113 LEU O 1 117 SER N . . 2.700 2.991 2.773 3.340 0.640 5 2 "[ -+ 1 . 2]" 2
131 1 114 MET O 1 118 VAL H . . 1.800 2.386 1.995 2.500 0.700 17 17 "[****** ***** **+*-*]" 2
132 1 114 MET O 1 118 VAL N . . 2.700 3.345 2.965 3.476 0.776 6 18 "[*****+ *****- ******]" 2
133 1 115 ALA O 1 119 PHE H . . 1.800 2.361 2.158 2.492 0.692 3 15 "[ +*** ********-** 2]" 2
134 1 115 ALA O 1 119 PHE N . . 2.700 3.179 3.000 3.329 0.629 3 8 "[ +*.* ** *-* 2]" 2
135 1 116 PHE O 1 120 THR H . . 1.800 2.399 2.249 2.498 0.698 15 18 "[******* *****+-****]" 2
136 1 116 PHE O 1 120 THR N . . 2.700 3.206 3.071 3.394 0.694 17 12 "[-** .** 1****. +**2]" 2
137 1 117 SER O 1 121 ILE H . . 1.800 2.479 2.313 2.556 0.756 15 20 [**************+*-***] 2
138 1 117 SER O 1 121 ILE N . . 2.700 3.390 3.287 3.483 0.783 15 20 [**************+*-***] 2
139 1 118 VAL O 1 122 ILE H . . 1.800 1.887 1.801 2.100 0.300 10 0 "[ . 1 . 2]" 2
140 1 118 VAL O 1 122 ILE N . . 2.700 2.844 2.736 3.027 0.327 10 0 "[ . 1 . 2]" 2
141 1 119 PHE O 1 123 CYS H . . 1.800 2.389 2.161 2.508 0.708 17 15 "[ *-** * ** **** +***]" 2
142 1 119 PHE O 1 123 CYS N . . 2.700 3.110 2.916 3.228 0.528 17 3 "[ -. 1 . + *]" 2
143 1 121 ILE O 1 125 ILE H . . 1.800 2.428 1.803 2.503 0.703 10 19 "[******** +******-***]" 2
144 1 121 ILE O 1 125 ILE N . . 2.700 3.316 2.750 3.414 0.714 13 18 "[***-**** ***+*** ***]" 2
145 1 122 ILE O 1 126 GLY H . . 1.800 2.090 1.990 2.219 0.419 9 0 "[ . 1 . 2]" 2
146 1 122 ILE O 1 126 GLY N . . 2.700 2.773 2.749 2.826 0.126 9 0 "[ . 1 . 2]" 2
147 1 123 CYS O 1 127 ILE H . . 1.800 2.201 1.906 2.465 0.665 1 6 "[+ * - *1 * * 2]" 2
148 1 123 CYS O 1 127 ILE N . . 2.700 3.140 2.843 3.389 0.689 15 7 "[* * * *- + * 2]" 2
149 1 124 THR O 1 128 LEU H . . 1.800 2.474 2.407 2.499 0.699 5 20 [****+*******-*******] 2
150 1 124 THR O 1 128 LEU N . . 2.700 3.254 3.210 3.287 0.587 1 20 [+***********-*******] 2
151 1 125 ILE O 1 129 MET H . . 1.800 2.327 1.850 2.500 0.700 5 14 "[ * *+****** *.-***2]" 2
152 1 125 ILE O 1 129 MET N . . 2.700 3.254 2.811 3.455 0.755 19 13 "[ * ****-*** *. **+2]" 2
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