NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
536418 |
2lm2   |
18096 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lm2
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 748
_Distance_constraint_stats_list.Viol_count 193
_Distance_constraint_stats_list.Viol_total 194.010
_Distance_constraint_stats_list.Viol_max 0.677
_Distance_constraint_stats_list.Viol_rms 0.0119
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_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 0.508 0.102 9 0 "[ . 1 . 2]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PHE 1.825 0.345 5 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.001 0.000 5 0 "[ . 1 . 2]"
1 15 ILE 0.001 0.000 5 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 20 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 0.002 0.001 18 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.002 0.001 14 0 "[ . 1 . 2]"
1 53 LEU 0.183 0.037 17 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.001 0.001 14 0 "[ . 1 . 2]"
1 56 ILE 1.682 0.273 1 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 1.550 0.273 1 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 PRO 0.149 0.149 10 0 "[ . 1 . 2]"
1 63 THR 0.245 0.149 10 0 "[ . 1 . 2]"
1 64 SER 0.062 0.062 10 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.677 0.677 8 1 "[ . + 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ILE 0.716 0.183 18 0 "[ . 1 . 2]"
1 110 ASP 0.669 0.183 18 0 "[ . 1 . 2]"
1 111 ARG 0.034 0.016 18 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 PHE 0.676 0.624 7 1 "[ . + 1 . 2]"
1 114 LEU 0.627 0.624 7 1 "[ . + 1 . 2]"
1 115 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 ILE 0.117 0.009 1 0 "[ . 1 . 2]"
1 117 PHE 0.008 0.006 17 0 "[ . 1 . 2]"
1 118 VAL 0.008 0.006 17 0 "[ . 1 . 2]"
1 119 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 0.000 0.000 17 0 "[ . 1 . 2]"
1 121 CYS 0.000 0.000 17 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 126 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 MET 0.002 0.001 18 0 "[ . 1 . 2]"
1 129 PHE 0.001 0.001 18 0 "[ . 1 . 2]"
1 130 LEU 0.008 0.004 1 0 "[ . 1 . 2]"
1 131 GLN 0.308 0.103 15 0 "[ . 1 . 2]"
1 132 PRO 0.831 0.036 9 0 "[ . 1 . 2]"
1 133 LEU 1.216 0.036 9 0 "[ . 1 . 2]"
1 134 PHE 1.291 0.123 12 0 "[ . 1 . 2]"
1 135 GLN 1.619 0.199 15 0 "[ . 1 . 2]"
1 136 GLU 0.018 0.018 15 0 "[ . 1 . 2]"
1 137 GLU 0.086 0.059 18 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 37 GLU QG 1 40 THR MG . . 3.920 3.784 3.019 3.916 . 0 0 "[ . 1 . 2]" 1
2 1 56 ILE MG 1 59 ILE HA . . 4.380 4.359 3.771 4.653 0.273 1 0 "[ . 1 . 2]" 1
3 1 30 TYR QE 1 111 ARG QD . . 4.260 4.017 3.160 4.259 . 0 0 "[ . 1 . 2]" 1
4 1 15 ILE MG 1 128 MET QG . . 4.000 3.957 3.889 4.000 . 8 0 "[ . 1 . 2]" 1
5 1 15 ILE MD 1 129 PHE QD . . 4.000 3.427 2.272 4.000 0.000 10 0 "[ . 1 . 2]" 1
6 1 15 ILE QG 1 129 PHE QD . . 4.140 3.137 2.294 4.134 . 0 0 "[ . 1 . 2]" 1
7 1 26 ILE MD 1 117 PHE QD . . 4.000 3.841 3.456 3.986 . 0 0 "[ . 1 . 2]" 1
8 1 49 LEU MD1 1 78 MET ME . . 4.900 3.402 1.955 4.856 . 0 0 "[ . 1 . 2]" 1
9 1 14 LEU MD1 1 56 ILE MD . . 3.820 3.174 1.911 3.820 0.000 5 0 "[ . 1 . 2]" 1
10 1 28 VAL MG2 1 38 LYS HD2 . . 4.300 4.194 3.935 4.297 . 0 0 "[ . 1 . 2]" 1
11 1 73 TYR QE 1 128 MET QG . . 4.870 4.039 3.175 4.465 . 0 0 "[ . 1 . 2]" 1
12 1 15 ILE QG 1 129 PHE QB . . 3.940 3.604 2.547 3.938 . 0 0 "[ . 1 . 2]" 1
13 1 19 VAL MG1 1 121 CYS HB2 . . 5.230 5.189 5.035 5.229 . 0 0 "[ . 1 . 2]" 1
14 1 42 CYS HB2 1 85 ILE MD . . 4.940 4.439 3.340 4.903 . 0 0 "[ . 1 . 2]" 1
15 1 42 CYS QB 1 88 SER HA . . 5.390 5.280 4.928 5.385 . 0 0 "[ . 1 . 2]" 1
16 1 26 ILE HG13 1 118 VAL MG2 . . 4.230 3.774 3.288 4.120 . 0 0 "[ . 1 . 2]" 1
17 1 87 THR MG 1 113 PHE QB . . 4.320 3.384 2.756 4.258 . 0 0 "[ . 1 . 2]" 1
18 1 39 MET ME 1 92 LEU MD1 . . 3.420 2.845 1.965 3.418 . 0 0 "[ . 1 . 2]" 1
19 1 39 MET HG2 1 92 LEU MD1 . . 4.360 3.406 2.010 4.355 . 0 0 "[ . 1 . 2]" 1
20 1 25 ALA MB 1 45 VAL HB . . 5.170 4.875 4.272 5.170 . 0 0 "[ . 1 . 2]" 1
21 1 26 ILE HG12 1 114 LEU HB3 . . 4.550 4.521 4.453 4.551 0.001 18 0 "[ . 1 . 2]" 1
22 1 21 ILE MD 1 48 ALA MB . . 3.300 2.255 1.834 2.939 . 0 0 "[ . 1 . 2]" 1
23 1 56 ILE MD 1 70 VAL HB . . 4.500 3.445 2.274 4.002 . 0 0 "[ . 1 . 2]" 1
24 1 56 ILE QG 1 70 VAL HA . . 4.280 4.234 4.146 4.277 . 0 0 "[ . 1 . 2]" 1
25 1 73 TYR QE 1 128 MET ME . . 4.500 3.215 2.302 4.313 . 0 0 "[ . 1 . 2]" 1
26 1 10 TYR QD 1 56 ILE QG . . 4.900 4.758 4.404 4.856 . 0 0 "[ . 1 . 2]" 1
27 1 10 TYR QE 1 56 ILE QG . . 4.130 3.663 3.048 4.066 . 0 0 "[ . 1 . 2]" 1
28 1 21 ILE QG 1 48 ALA MB . . 3.450 2.959 2.027 3.384 . 0 0 "[ . 1 . 2]" 1
29 1 25 ALA MB 1 41 LEU QD . . 3.500 2.491 1.869 3.042 . 0 0 "[ . 1 . 2]" 1
30 1 25 ALA MB 1 45 VAL QG . . 3.930 3.362 2.784 3.925 . 0 0 "[ . 1 . 2]" 1
31 1 26 ILE MG 1 114 LEU QD . . 3.860 2.236 1.845 2.872 . 0 0 "[ . 1 . 2]" 1
32 1 15 ILE MD 1 129 PHE QB . . 4.200 3.758 2.760 4.188 . 0 0 "[ . 1 . 2]" 1
33 1 73 TYR QB 1 128 MET ME . . 4.070 3.952 3.681 4.065 . 0 0 "[ . 1 . 2]" 1
34 1 80 LEU QD 1 120 VAL HB . . 4.550 4.083 3.538 4.505 . 0 0 "[ . 1 . 2]" 1
35 1 80 LEU QD 1 120 VAL MG1 . . 3.850 2.311 1.881 3.182 . 0 0 "[ . 1 . 2]" 1
36 1 80 LEU HG 1 120 VAL QG . . 3.780 3.529 3.010 3.777 . 0 0 "[ . 1 . 2]" 1
37 1 122 VAL HA 1 126 ILE H . . 5.280 3.670 3.229 4.228 . 0 0 "[ . 1 . 2]" 1
38 1 52 PHE QD 1 56 ILE MD . . 4.390 3.198 2.457 3.489 . 0 0 "[ . 1 . 2]" 1
39 1 52 PHE QD 1 55 LEU MD1 . . 3.750 2.963 2.195 3.746 . 0 0 "[ . 1 . 2]" 1
40 1 81 VAL H 1 81 VAL MG1 . . 4.190 3.669 2.632 3.764 . 0 0 "[ . 1 . 2]" 1
41 1 46 LEU HG 1 47 LEU H . . 5.010 4.457 3.873 4.949 . 0 0 "[ . 1 . 2]" 1
42 1 47 LEU H 1 47 LEU HG . . 5.420 4.299 3.563 4.551 . 0 0 "[ . 1 . 2]" 1
43 1 120 VAL H 1 120 VAL MG1 . . 3.450 2.029 1.926 2.113 . 0 0 "[ . 1 . 2]" 1
44 1 74 LEU H 1 74 LEU HG . . 4.630 4.377 3.518 4.575 . 0 0 "[ . 1 . 2]" 1
45 1 49 LEU H 1 49 LEU HG . . 4.620 4.173 2.482 4.523 . 0 0 "[ . 1 . 2]" 1
46 1 122 VAL H 1 122 VAL MG2 . . 4.040 2.597 2.310 3.690 . 0 0 "[ . 1 . 2]" 1
47 1 116 ILE HA 1 119 PHE H . . 5.500 3.601 3.232 3.880 . 0 0 "[ . 1 . 2]" 1
48 1 53 LEU H 1 56 ILE MD . . 4.700 4.271 4.153 4.613 . 0 0 "[ . 1 . 2]" 1
49 1 53 LEU H 1 53 LEU HG . . 4.720 4.154 2.993 4.502 . 0 0 "[ . 1 . 2]" 1
50 1 100 GLU H 1 101 THR HA . . 5.210 4.961 4.633 5.196 . 0 0 "[ . 1 . 2]" 1
51 1 75 MET H 1 75 MET HG2 . . 5.000 4.444 3.918 4.636 . 0 0 "[ . 1 . 2]" 1
52 1 109 ILE MD 1 110 ASP H . . 4.380 2.977 2.839 4.224 . 0 0 "[ . 1 . 2]" 1
53 1 116 ILE H 1 116 ILE MD . . 3.980 3.792 3.601 3.989 0.009 1 0 "[ . 1 . 2]" 1
54 1 99 PRO HG2 1 100 GLU H . . 4.290 2.180 1.968 2.373 . 0 0 "[ . 1 . 2]" 1
55 1 77 THR MG 1 78 MET H . . 4.200 3.097 2.639 3.619 . 0 0 "[ . 1 . 2]" 1
56 1 7 PRO HA 1 10 TYR H . . 4.490 3.715 3.123 4.157 . 0 0 "[ . 1 . 2]" 1
57 1 109 ILE H 1 109 ILE MD . . 4.130 4.074 4.066 4.139 0.009 18 0 "[ . 1 . 2]" 1
58 1 8 LEU H 1 8 LEU HB2 . . 3.970 2.153 2.048 2.309 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU H 1 11 THR MG . . 4.680 4.500 4.200 4.676 . 0 0 "[ . 1 . 2]" 1
60 1 10 TYR H 1 11 THR MG . . 4.850 3.503 3.403 3.673 . 0 0 "[ . 1 . 2]" 1
61 1 7 PRO HD2 1 8 LEU H . . 4.410 2.671 2.649 2.709 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU H 1 8 LEU HG . . 4.620 4.395 4.266 4.572 . 0 0 "[ . 1 . 2]" 1
63 1 12 ILE H 1 12 ILE MD . . 3.830 3.581 3.361 3.781 . 0 0 "[ . 1 . 2]" 1
64 1 15 ILE H 1 15 ILE MG . . 4.510 3.727 3.658 3.784 . 0 0 "[ . 1 . 2]" 1
65 1 49 LEU HA 1 51 VAL H . . 5.250 4.343 4.134 4.577 . 0 0 "[ . 1 . 2]" 1
66 1 80 LEU HA 1 82 THR H . . 5.500 4.469 3.959 4.756 . 0 0 "[ . 1 . 2]" 1
67 1 51 VAL H 1 51 VAL MG2 . . 4.240 2.348 1.942 2.631 . 0 0 "[ . 1 . 2]" 1
68 1 81 VAL MG2 1 82 THR H . . 4.460 3.984 3.864 4.192 . 0 0 "[ . 1 . 2]" 1
69 1 135 GLN QG 1 136 GLU H . . 3.890 2.339 2.035 2.603 . 0 0 "[ . 1 . 2]" 1
70 1 81 VAL MG1 1 82 THR H . . 4.460 3.003 2.363 3.571 . 0 0 "[ . 1 . 2]" 1
71 1 81 VAL HB 1 82 THR H . . 4.400 2.674 2.448 3.887 . 0 0 "[ . 1 . 2]" 1
72 1 80 LEU H 1 80 LEU HG . . 4.790 4.215 3.114 4.591 . 0 0 "[ . 1 . 2]" 1
73 1 22 THR MG 1 23 SER H . . 4.070 3.493 3.264 3.779 . 0 0 "[ . 1 . 2]" 1
74 1 56 ILE H 1 56 ILE MG . . 3.810 3.759 3.697 3.784 . 0 0 "[ . 1 . 2]" 1
75 1 25 ALA MB 1 26 ILE H . . 3.740 2.732 2.502 2.876 . 0 0 "[ . 1 . 2]" 1
76 1 49 LEU HG 1 50 THR H . . 5.410 4.645 3.598 5.304 . 0 0 "[ . 1 . 2]" 1
77 1 55 LEU HG 1 56 ILE H . . 5.500 4.583 4.052 4.834 . 0 0 "[ . 1 . 2]" 1
78 1 26 ILE H 1 26 ILE MD . . 4.190 3.419 3.140 3.588 . 0 0 "[ . 1 . 2]" 1
79 1 126 ILE H 1 126 ILE MD . . 4.410 3.444 3.091 3.676 . 0 0 "[ . 1 . 2]" 1
80 1 56 ILE H 1 56 ILE MD . . 3.930 2.140 1.945 2.655 . 0 0 "[ . 1 . 2]" 1
81 1 46 LEU H 1 48 ALA MB . . 5.460 4.904 4.481 5.423 . 0 0 "[ . 1 . 2]" 1
82 1 48 ALA MB 1 50 THR H . . 5.500 4.484 4.232 4.832 . 0 0 "[ . 1 . 2]" 1
83 1 26 ILE H 1 26 ILE MG . . 3.950 3.753 3.738 3.766 . 0 0 "[ . 1 . 2]" 1
84 1 28 VAL MG1 1 29 PHE H . . 4.100 3.066 2.700 3.642 . 0 0 "[ . 1 . 2]" 1
85 1 28 VAL HB 1 29 PHE H . . 3.920 2.617 2.351 2.790 . 0 0 "[ . 1 . 2]" 1
86 1 28 VAL MG2 1 29 PHE H . . 4.100 3.966 3.776 4.052 . 0 0 "[ . 1 . 2]" 1
87 1 93 ASN H 1 93 ASN HB3 . . 4.090 3.331 2.556 3.802 . 0 0 "[ . 1 . 2]" 1
88 1 11 THR H 1 11 THR MG . . 3.680 1.934 1.925 1.961 . 0 0 "[ . 1 . 2]" 1
89 1 24 LEU H 1 24 LEU HG . . 4.250 3.737 2.187 4.234 . 0 0 "[ . 1 . 2]" 1
90 1 22 THR H 1 22 THR MG . . 4.030 3.744 3.690 3.767 . 0 0 "[ . 1 . 2]" 1
91 1 128 MET H 1 128 MET ME . . 3.920 3.188 2.613 3.921 0.001 18 0 "[ . 1 . 2]" 1
92 1 128 MET QG 1 129 PHE H . . 4.370 2.658 2.305 3.827 . 0 0 "[ . 1 . 2]" 1
93 1 109 ILE MD 1 111 ARG H . . 4.980 4.838 4.678 4.996 0.016 18 0 "[ . 1 . 2]" 1
94 1 109 ILE HA 1 112 LEU H . . 4.430 3.579 3.329 3.810 . 0 0 "[ . 1 . 2]" 1
95 1 131 GLN H 1 131 GLN QG . . 3.970 3.791 3.749 3.817 . 0 0 "[ . 1 . 2]" 1
96 1 130 LEU H 1 130 LEU MD1 . . 4.580 3.860 3.100 4.324 . 0 0 "[ . 1 . 2]" 1
97 1 130 LEU H 1 130 LEU MD2 . . 4.580 4.293 4.034 4.483 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE MG 1 13 ASN H . . 3.960 3.208 2.978 3.386 . 0 0 "[ . 1 . 2]" 1
99 1 126 ILE MG 1 130 LEU H . . 4.510 3.893 3.209 4.183 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR MG 1 13 ASN H . . 4.420 4.289 4.174 4.396 . 0 0 "[ . 1 . 2]" 1
101 1 56 ILE MG 1 57 SER H . . 4.180 3.808 3.233 4.045 . 0 0 "[ . 1 . 2]" 1
102 1 132 PRO HB3 1 133 LEU H . . 4.470 3.694 3.651 3.697 . 0 0 "[ . 1 . 2]" 1
103 1 133 LEU H 1 133 LEU MD1 . . 4.400 3.907 3.894 4.005 . 0 0 "[ . 1 . 2]" 1
104 1 133 LEU MD1 1 134 PHE H . . 4.730 4.220 4.115 4.226 . 0 0 "[ . 1 . 2]" 1
105 1 59 ILE H 1 59 ILE MD . . 4.380 3.807 2.677 4.391 0.011 9 0 "[ . 1 . 2]" 1
106 1 56 ILE HB 1 57 SER H . . 4.400 2.994 2.771 3.113 . 0 0 "[ . 1 . 2]" 1
107 1 135 GLN H 1 135 GLN QG . . 3.210 2.115 1.901 2.269 . 0 0 "[ . 1 . 2]" 1
108 1 135 GLN H 1 135 GLN HB2 . . 3.810 3.603 3.585 3.683 . 0 0 "[ . 1 . 2]" 1
109 1 131 GLN HE22 1 131 GLN QG . . 3.500 3.400 3.352 3.434 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE MG 1 18 CYS H . . 4.760 4.442 4.387 4.527 . 0 0 "[ . 1 . 2]" 1
111 1 26 ILE MG 1 30 TYR QD . . 4.060 3.052 1.946 3.759 . 0 0 "[ . 1 . 2]" 1
112 1 29 PHE HA 1 29 PHE HD1 . . 4.680 2.754 2.180 3.505 . 0 0 "[ . 1 . 2]" 1
113 1 52 PHE HA 1 52 PHE HD1 . . 4.280 2.326 2.006 2.658 . 0 0 "[ . 1 . 2]" 1
114 1 76 PHE HA 1 76 PHE HD1 . . 4.720 2.386 2.090 2.881 . 0 0 "[ . 1 . 2]" 1
115 1 117 PHE HD1 1 120 VAL MG1 . . 3.780 3.134 2.249 3.777 . 0 0 "[ . 1 . 2]" 1
116 1 52 PHE HD1 1 56 ILE MD . . 3.520 3.225 2.461 3.520 0.000 5 0 "[ . 1 . 2]" 1
117 1 73 TYR HA 1 73 TYR HD1 . . 4.030 2.410 2.053 3.665 . 0 0 "[ . 1 . 2]" 1
118 1 98 SER HA 1 99 PRO HD3 . . 3.070 2.346 2.345 2.347 . 0 0 "[ . 1 . 2]" 1
119 1 94 VAL MG1 1 95 HIS HA . . 4.030 3.624 3.085 4.012 . 0 0 "[ . 1 . 2]" 1
120 1 94 VAL MG2 1 95 HIS HA . . 3.920 3.567 3.147 3.890 . 0 0 "[ . 1 . 2]" 1
121 1 133 LEU MD2 1 134 PHE HA . . 4.850 4.279 4.245 4.857 0.007 15 0 "[ . 1 . 2]" 1
122 1 134 PHE HA 1 135 GLN QG . . 4.640 4.585 4.477 4.763 0.123 12 0 "[ . 1 . 2]" 1
123 1 133 LEU HG 1 134 PHE HA . . 4.290 4.205 4.158 4.250 . 0 0 "[ . 1 . 2]" 1
124 1 132 PRO HA 1 133 LEU HB3 . . 4.310 4.345 4.341 4.346 0.036 9 0 "[ . 1 . 2]" 1
125 1 132 PRO HA 1 133 LEU MD2 . . 4.020 3.486 3.452 3.489 . 0 0 "[ . 1 . 2]" 1
126 1 130 LEU HA 1 130 LEU MD1 . . 3.770 3.181 2.499 3.774 0.004 1 0 "[ . 1 . 2]" 1
127 1 135 GLN HA 1 135 GLN QG . . 3.420 3.332 3.306 3.341 . 0 0 "[ . 1 . 2]" 1
128 1 130 LEU HA 1 130 LEU MD2 . . 3.770 3.287 1.973 3.766 . 0 0 "[ . 1 . 2]" 1
129 1 58 LYS HA 1 58 LYS QD . . 4.420 3.987 3.046 4.416 . 0 0 "[ . 1 . 2]" 1
130 1 109 ILE MD 1 110 ASP HA . . 4.290 2.694 2.473 4.260 . 0 0 "[ . 1 . 2]" 1
131 1 51 VAL HA 1 52 PHE HA . . 5.500 4.776 4.714 4.862 . 0 0 "[ . 1 . 2]" 1
132 1 78 MET HA 1 79 VAL HA . . 5.500 4.811 4.740 4.866 . 0 0 "[ . 1 . 2]" 1
133 1 131 GLN HA 1 131 GLN QG . . 3.180 2.768 2.766 2.768 . 0 0 "[ . 1 . 2]" 1
134 1 113 PHE HA 1 116 ILE MD . . 3.780 2.847 1.987 3.742 . 0 0 "[ . 1 . 2]" 1
135 1 133 LEU HA 1 133 LEU HG . . 3.720 3.659 3.644 3.661 . 0 0 "[ . 1 . 2]" 1
136 1 78 MET HA 1 78 MET ME . . 4.670 2.627 1.931 3.621 . 0 0 "[ . 1 . 2]" 1
137 1 94 VAL HA 1 94 VAL MG2 . . 3.090 2.238 2.086 2.387 . 0 0 "[ . 1 . 2]" 1
138 1 54 LEU HA 1 54 LEU HG . . 4.060 2.640 2.136 3.632 . 0 0 "[ . 1 . 2]" 1
139 1 94 VAL HA 1 94 VAL MG1 . . 3.280 3.190 3.148 3.203 . 0 0 "[ . 1 . 2]" 1
140 1 23 SER HA 1 26 ILE HG12 . . 4.740 4.621 4.381 4.709 . 0 0 "[ . 1 . 2]" 1
141 1 47 LEU HA 1 47 LEU HG . . 4.190 2.601 2.185 3.633 . 0 0 "[ . 1 . 2]" 1
142 1 114 LEU HA 1 114 LEU MD1 . . 3.670 2.803 2.071 3.670 0.000 5 0 "[ . 1 . 2]" 1
143 1 114 LEU HA 1 114 LEU MD2 . . 3.670 3.050 2.156 3.671 0.001 17 0 "[ . 1 . 2]" 1
144 1 23 SER HA 1 26 ILE MG . . 3.970 3.957 3.934 3.970 0.000 20 0 "[ . 1 . 2]" 1
145 1 109 ILE HA 1 109 ILE HG13 . . 3.810 3.494 3.191 3.528 . 0 0 "[ . 1 . 2]" 1
146 1 8 LEU HA 1 9 PHE HA . . 5.050 4.773 4.674 4.851 . 0 0 "[ . 1 . 2]" 1
147 1 109 ILE HA 1 109 ILE MD . . 3.660 3.421 2.024 3.576 . 0 0 "[ . 1 . 2]" 1
148 1 48 ALA HA 1 51 VAL HB . . 3.900 2.914 2.275 3.431 . 0 0 "[ . 1 . 2]" 1
149 1 11 THR HA 1 11 THR MG . . 3.470 3.200 3.199 3.203 . 0 0 "[ . 1 . 2]" 1
150 1 53 LEU HA 1 56 ILE MD . . 4.150 2.897 2.669 3.622 . 0 0 "[ . 1 . 2]" 1
151 1 56 ILE HA 1 56 ILE MD . . 4.530 3.582 3.161 3.724 . 0 0 "[ . 1 . 2]" 1
152 1 56 ILE HA 1 56 ILE MG . . 3.500 2.284 2.170 2.547 . 0 0 "[ . 1 . 2]" 1
153 1 53 LEU HA 1 56 ILE HB . . 4.920 3.954 3.250 4.308 . 0 0 "[ . 1 . 2]" 1
154 1 26 ILE HA 1 28 VAL HB . . 5.340 5.111 4.848 5.337 . 0 0 "[ . 1 . 2]" 1
155 1 5 GLU HA 1 7 PRO HD2 . . 4.350 3.401 2.958 3.793 . 0 0 "[ . 1 . 2]" 1
156 1 6 GLU HG2 1 7 PRO HD3 . . 4.000 2.034 1.966 3.149 . 0 0 "[ . 1 . 2]" 1
157 1 22 THR HA 1 25 ALA MB . . 4.080 3.067 2.833 3.234 . 0 0 "[ . 1 . 2]" 1
158 1 22 THR HA 1 22 THR MG . . 3.290 2.261 2.140 2.367 . 0 0 "[ . 1 . 2]" 1
159 1 40 THR HA 1 40 THR MG . . 3.690 2.511 2.143 3.205 . 0 0 "[ . 1 . 2]" 1
160 1 85 ILE HA 1 85 ILE MD . . 3.920 2.073 1.973 2.328 . 0 0 "[ . 1 . 2]" 1
161 1 131 GLN HB3 1 132 PRO HD2 . . 4.260 2.494 2.488 2.496 . 0 0 "[ . 1 . 2]" 1
162 1 131 GLN QG 1 132 PRO HD2 . . 3.600 3.277 3.275 3.282 . 0 0 "[ . 1 . 2]" 1
163 1 21 ILE HA 1 21 ILE MD . . 4.290 3.612 1.971 3.881 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE HA 1 18 CYS HA . . 4.950 4.915 4.849 4.949 . 0 0 "[ . 1 . 2]" 1
165 1 117 PHE HA 1 118 VAL HA . . 5.500 4.775 4.703 4.832 . 0 0 "[ . 1 . 2]" 1
166 1 119 PHE HA 1 120 VAL HA . . 5.500 4.765 4.695 4.820 . 0 0 "[ . 1 . 2]" 1
167 1 26 ILE MG 1 30 TYR HB2 . . 4.450 3.558 2.970 4.078 . 0 0 "[ . 1 . 2]" 1
168 1 58 LYS HA 1 58 LYS QE . . 4.580 4.148 2.089 4.573 . 0 0 "[ . 1 . 2]" 1
169 1 132 PRO HB2 1 133 LEU MD2 . . 3.930 3.309 3.273 3.938 0.008 15 0 "[ . 1 . 2]" 1
170 1 135 GLN HA 1 135 GLN HB3 . . 2.710 2.442 2.334 2.493 . 0 0 "[ . 1 . 2]" 1
171 1 85 ILE HB 1 86 VAL HA . . 4.290 4.233 4.161 4.286 . 0 0 "[ . 1 . 2]" 1
172 1 75 MET HA 1 75 MET ME . . 4.750 3.860 2.395 4.734 . 0 0 "[ . 1 . 2]" 1
173 1 116 ILE HB 1 116 ILE MD . . 3.200 2.236 2.081 2.420 . 0 0 "[ . 1 . 2]" 1
174 1 111 ARG HB2 1 111 ARG QD . . 3.790 2.319 1.998 3.304 . 0 0 "[ . 1 . 2]" 1
175 1 111 ARG HB3 1 111 ARG QD . . 3.790 3.011 2.083 3.375 . 0 0 "[ . 1 . 2]" 1
176 1 9 PHE HA 1 12 ILE HB . . 4.040 2.763 2.499 3.038 . 0 0 "[ . 1 . 2]" 1
177 1 77 THR MG 1 78 MET ME . . 3.810 3.528 2.938 3.801 . 0 0 "[ . 1 . 2]" 1
178 1 43 ILE HB 1 43 ILE MD . . 3.510 2.312 2.025 3.214 . 0 0 "[ . 1 . 2]" 1
179 1 126 ILE HB 1 126 ILE MD . . 3.740 2.806 2.179 3.230 . 0 0 "[ . 1 . 2]" 1
180 1 25 ALA MB 1 26 ILE HG13 . . 4.320 3.176 3.065 3.296 . 0 0 "[ . 1 . 2]" 1
181 1 23 SER HA 1 26 ILE HG13 . . 4.360 3.540 3.219 3.770 . 0 0 "[ . 1 . 2]" 1
182 1 56 ILE HB 1 56 ILE MD . . 3.700 2.071 2.004 2.275 . 0 0 "[ . 1 . 2]" 1
183 1 5 GLU HA 1 8 LEU HB2 . . 4.150 2.884 2.043 4.019 . 0 0 "[ . 1 . 2]" 1
184 1 131 GLN QG 1 132 PRO HB3 . . 4.380 3.297 3.296 3.298 . 0 0 "[ . 1 . 2]" 1
185 1 5 GLU HA 1 8 LEU HB3 . . 4.150 3.427 2.614 4.148 . 0 0 "[ . 1 . 2]" 1
186 1 22 THR MG 1 25 ALA MB . . 3.460 3.448 3.378 3.460 . 0 0 "[ . 1 . 2]" 1
187 1 109 ILE HG13 1 109 ILE MG . . 2.990 2.648 2.355 2.681 . 0 0 "[ . 1 . 2]" 1
188 1 133 LEU HB2 1 133 LEU MD1 . . 2.400 2.226 2.065 2.322 . 0 0 "[ . 1 . 2]" 1
189 1 56 ILE HG12 1 56 ILE MG . . 3.750 1.986 1.941 2.127 . 0 0 "[ . 1 . 2]" 1
190 1 26 ILE HG12 1 26 ILE MG . . 3.480 2.285 2.169 2.368 . 0 0 "[ . 1 . 2]" 1
191 1 109 ILE HA 1 109 ILE HG12 . . 4.000 2.638 2.511 3.777 . 0 0 "[ . 1 . 2]" 1
192 1 25 ALA MB 1 26 ILE HG12 . . 4.460 4.442 4.410 4.460 . 0 0 "[ . 1 . 2]" 1
193 1 11 THR MG 1 12 ILE HA . . 4.340 3.335 3.297 3.378 . 0 0 "[ . 1 . 2]" 1
194 1 8 LEU MD1 1 11 THR MG . . 3.150 2.717 1.974 3.148 . 0 0 "[ . 1 . 2]" 1
195 1 101 THR HA 1 101 THR MG . . 3.290 2.414 2.057 3.190 . 0 0 "[ . 1 . 2]" 1
196 1 56 ILE HG13 1 56 ILE MG . . 3.750 2.795 2.734 2.968 . 0 0 "[ . 1 . 2]" 1
197 1 82 THR MG 1 83 PHE HA . . 4.030 3.465 3.026 3.940 . 0 0 "[ . 1 . 2]" 1
198 1 26 ILE MD 1 26 ILE MG . . 2.810 2.116 1.940 2.356 . 0 0 "[ . 1 . 2]" 1
199 1 120 VAL MG2 1 121 CYS HA . . 3.770 3.686 3.429 3.770 . 17 0 "[ . 1 . 2]" 1
200 1 8 LEU MD1 1 11 THR HB . . 5.500 4.961 4.179 5.411 . 0 0 "[ . 1 . 2]" 1
201 1 8 LEU MD2 1 11 THR HB . . 5.500 5.212 4.778 5.499 . 0 0 "[ . 1 . 2]" 1
202 1 109 ILE HA 1 109 ILE MG . . 3.300 3.184 3.184 3.186 . 0 0 "[ . 1 . 2]" 1
203 1 113 PHE HA 1 116 ILE MG . . 3.520 2.891 1.949 3.519 . 0 0 "[ . 1 . 2]" 1
204 1 21 ILE MG 1 22 THR HA . . 3.920 3.201 2.916 3.503 . 0 0 "[ . 1 . 2]" 1
205 1 85 ILE HA 1 85 ILE MG . . 3.650 2.345 2.287 2.416 . 0 0 "[ . 1 . 2]" 1
206 1 126 ILE HA 1 126 ILE MG . . 3.700 2.415 2.266 2.564 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE HA 1 12 ILE MG . . 3.580 2.444 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
208 1 8 LEU MD2 1 11 THR MG . . 3.150 2.949 2.740 3.118 . 0 0 "[ . 1 . 2]" 1
209 1 133 LEU HA 1 133 LEU MD2 . . 3.680 3.599 3.594 3.684 0.004 15 0 "[ . 1 . 2]" 1
210 1 131 GLN HB2 1 132 PRO HD2 . . 4.260 3.960 3.955 3.961 . 0 0 "[ . 1 . 2]" 1
211 1 6 GLU HG3 1 7 PRO HD3 . . 4.000 3.425 2.100 3.498 . 0 0 "[ . 1 . 2]" 1
212 1 131 GLN QG 1 132 PRO HD3 . . 4.080 1.971 1.967 1.988 . 0 0 "[ . 1 . 2]" 1
213 1 98 SER HA 1 99 PRO HD2 . . 3.070 2.508 2.508 2.509 . 0 0 "[ . 1 . 2]" 1
214 1 26 ILE MG 1 30 TYR QE . . 4.170 3.510 2.289 4.079 . 0 0 "[ . 1 . 2]" 1
215 1 119 PHE HA 1 119 PHE HD1 . . 4.080 2.587 2.213 4.053 . 0 0 "[ . 1 . 2]" 1
216 1 134 PHE H 1 134 PHE HD2 . . 5.260 4.788 4.573 4.942 . 0 0 "[ . 1 . 2]" 1
217 1 134 PHE HD2 1 135 GLN H . . 5.500 5.107 4.773 5.236 . 0 0 "[ . 1 . 2]" 1
218 1 133 LEU HG 1 134 PHE HD2 . . 4.300 3.148 2.956 3.810 . 0 0 "[ . 1 . 2]" 1
219 1 133 LEU HB2 1 134 PHE HD2 . . 4.230 4.097 3.916 4.228 . 0 0 "[ . 1 . 2]" 1
220 1 133 LEU MD1 1 134 PHE HD2 . . 4.100 3.657 3.451 3.857 . 0 0 "[ . 1 . 2]" 1
221 1 29 PHE HB2 1 30 TYR QD . . 4.480 4.011 3.113 4.451 . 0 0 "[ . 1 . 2]" 1
222 1 10 TYR QD 1 14 LEU HG . . 5.500 5.021 3.987 5.450 . 0 0 "[ . 1 . 2]" 1
223 1 134 PHE HA 1 134 PHE HD2 . . 4.140 4.039 3.743 4.140 . 0 0 "[ . 1 . 2]" 1
224 1 133 LEU HA 1 134 PHE HD2 . . 5.100 5.000 4.745 5.091 . 0 0 "[ . 1 . 2]" 1
225 1 10 TYR HA 1 10 TYR QD . . 4.100 2.793 2.477 3.047 . 0 0 "[ . 1 . 2]" 1
226 1 6 GLU H 1 7 PRO HD3 . . 4.420 3.153 3.022 3.337 . 0 0 "[ . 1 . 2]" 1
227 1 45 VAL HB 1 46 LEU H . . 4.590 3.313 2.608 4.098 . 0 0 "[ . 1 . 2]" 1
228 1 63 THR HA 1 63 THR MG . . 3.360 2.445 1.955 3.196 . 0 0 "[ . 1 . 2]" 1
229 1 103 THR HA 1 103 THR MG . . 2.820 2.135 1.992 2.282 . 0 0 "[ . 1 . 2]" 1
230 1 97 ARG HA 1 97 ARG QD . . 4.090 3.478 2.038 4.043 . 0 0 "[ . 1 . 2]" 1
231 1 130 LEU H 1 132 PRO HD2 . . 4.340 3.794 3.461 4.032 . 0 0 "[ . 1 . 2]" 1
232 1 109 ILE MG 1 110 ASP H . . 3.270 1.988 1.861 2.003 . 0 0 "[ . 1 . 2]" 1
233 1 26 ILE MG 1 30 TYR HB3 . . 5.500 4.803 4.283 5.350 . 0 0 "[ . 1 . 2]" 1
234 1 61 PRO HA 1 62 PRO HD3 . . 3.600 2.366 2.366 2.367 . 0 0 "[ . 1 . 2]" 1
235 1 61 PRO HA 1 62 PRO HD2 . . 3.600 2.534 2.533 2.534 . 0 0 "[ . 1 . 2]" 1
236 1 52 PHE HA 1 56 ILE MD . . 3.800 3.527 3.287 3.727 . 0 0 "[ . 1 . 2]" 1
237 1 48 ALA MB 1 49 LEU HA . . 3.880 3.748 3.650 3.867 . 0 0 "[ . 1 . 2]" 1
238 1 79 VAL H 1 79 VAL MG2 . . 4.330 2.629 1.966 3.765 . 0 0 "[ . 1 . 2]" 1
239 1 85 ILE H 1 85 ILE MD . . 4.000 3.370 2.871 3.643 . 0 0 "[ . 1 . 2]" 1
240 1 53 LEU H 1 54 LEU H . . 4.090 2.921 2.723 2.997 . 0 0 "[ . 1 . 2]" 1
241 1 42 CYS H 1 43 ILE H . . 4.400 2.779 2.685 2.855 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL H 1 20 LEU H . . 4.360 2.602 2.455 2.731 . 0 0 "[ . 1 . 2]" 1
243 1 74 LEU H 1 75 MET H . . 4.720 2.690 2.514 2.867 . 0 0 "[ . 1 . 2]" 1
244 1 43 ILE H 1 44 SER H . . 3.800 2.517 2.436 2.683 . 0 0 "[ . 1 . 2]" 1
245 1 112 LEU H 1 113 PHE H . . 3.880 2.716 2.493 2.886 . 0 0 "[ . 1 . 2]" 1
246 1 115 TRP H 1 116 ILE H . . 4.110 2.693 2.454 2.965 . 0 0 "[ . 1 . 2]" 1
247 1 11 THR H 1 12 ILE H . . 3.970 2.797 2.702 2.827 . 0 0 "[ . 1 . 2]" 1
248 1 63 THR H 1 64 SER H . . 3.990 2.927 1.910 3.974 . 0 0 "[ . 1 . 2]" 1
249 1 24 LEU H 1 25 ALA H . . 4.030 2.773 2.644 2.940 . 0 0 "[ . 1 . 2]" 1
250 1 22 THR H 1 23 SER H . . 3.730 2.849 2.750 2.950 . 0 0 "[ . 1 . 2]" 1
251 1 12 ILE H 1 13 ASN H . . 4.020 2.694 2.594 2.790 . 0 0 "[ . 1 . 2]" 1
252 1 13 ASN H 1 14 LEU H . . 4.090 2.564 2.450 2.593 . 0 0 "[ . 1 . 2]" 1
253 1 30 TYR H 1 30 TYR QD . . 4.080 3.133 2.611 3.499 . 0 0 "[ . 1 . 2]" 1
254 1 113 PHE H 1 113 PHE HD2 . . 4.850 4.200 3.115 4.802 . 0 0 "[ . 1 . 2]" 1
255 1 117 PHE HD1 1 118 VAL H . . 5.160 4.906 3.554 5.166 0.006 17 0 "[ . 1 . 2]" 1
256 1 52 PHE H 1 52 PHE HD1 . . 4.740 4.525 4.184 4.739 . 0 0 "[ . 1 . 2]" 1
257 1 119 PHE H 1 119 PHE HD1 . . 4.720 4.210 2.685 4.713 . 0 0 "[ . 1 . 2]" 1
258 1 9 PHE H 1 9 PHE HD1 . . 4.740 4.363 3.023 5.085 0.345 5 0 "[ . 1 . 2]" 1
259 1 134 PHE HA 1 135 GLN H . . 3.440 2.784 2.540 3.548 0.108 20 0 "[ . 1 . 2]" 1
260 1 103 THR HA 1 104 GLY H . . 3.090 2.367 2.147 3.084 . 0 0 "[ . 1 . 2]" 1
261 1 97 ARG HA 1 98 SER H . . 3.010 2.338 2.142 2.993 . 0 0 "[ . 1 . 2]" 1
262 1 100 GLU HA 1 101 THR H . . 2.590 2.314 2.143 2.586 . 0 0 "[ . 1 . 2]" 1
263 1 11 THR H 1 11 THR HB . . 4.180 2.622 2.600 2.644 . 0 0 "[ . 1 . 2]" 1
264 1 22 THR H 1 22 THR HB . . 4.020 2.711 2.543 2.895 . 0 0 "[ . 1 . 2]" 1
265 1 4 GLU HA 1 5 GLU H . . 3.230 2.951 2.672 3.226 . 0 0 "[ . 1 . 2]" 1
266 1 94 VAL HA 1 95 HIS H . . 3.220 2.255 2.194 2.378 . 0 0 "[ . 1 . 2]" 1
267 1 6 GLU H 1 7 PRO HD2 . . 3.160 2.005 1.880 2.149 . 0 0 "[ . 1 . 2]" 1
268 1 15 ILE HA 1 18 CYS H . . 4.070 3.329 3.302 3.348 . 0 0 "[ . 1 . 2]" 1
269 1 134 PHE HB2 1 135 GLN H . . 3.810 3.470 2.514 3.802 . 0 0 "[ . 1 . 2]" 1
270 1 30 TYR H 1 30 TYR HB3 . . 3.990 3.372 3.195 3.544 . 0 0 "[ . 1 . 2]" 1
271 1 134 PHE H 1 134 PHE HB2 . . 3.940 3.025 2.973 3.094 . 0 0 "[ . 1 . 2]" 1
272 1 117 PHE H 1 117 PHE HB2 . . 3.990 2.391 2.101 2.981 . 0 0 "[ . 1 . 2]" 1
273 1 111 ARG H 1 111 ARG QD . . 4.410 3.139 2.143 4.393 . 0 0 "[ . 1 . 2]" 1
274 1 117 PHE H 1 117 PHE HB3 . . 3.990 2.827 2.209 3.278 . 0 0 "[ . 1 . 2]" 1
275 1 129 PHE H 1 129 PHE HB3 . . 3.740 2.693 2.494 3.123 . 0 0 "[ . 1 . 2]" 1
276 1 134 PHE HB3 1 135 GLN H . . 3.810 2.218 2.126 2.394 . 0 0 "[ . 1 . 2]" 1
277 1 134 PHE H 1 134 PHE HB3 . . 3.940 3.744 3.664 3.792 . 0 0 "[ . 1 . 2]" 1
278 1 29 PHE H 1 29 PHE HB2 . . 3.910 2.160 2.065 2.402 . 0 0 "[ . 1 . 2]" 1
279 1 66 ASP HB2 1 67 SER H . . 5.060 3.629 1.982 4.646 . 0 0 "[ . 1 . 2]" 1
280 1 66 ASP HB3 1 67 SER H . . 5.060 3.385 2.305 4.516 . 0 0 "[ . 1 . 2]" 1
281 1 110 ASP H 1 110 ASP HB2 . . 3.860 2.376 2.101 3.572 . 0 0 "[ . 1 . 2]" 1
282 1 110 ASP H 1 110 ASP HB3 . . 3.860 3.333 2.617 3.609 . 0 0 "[ . 1 . 2]" 1
283 1 132 PRO HB2 1 134 PHE H . . 3.590 2.454 2.441 2.677 . 0 0 "[ . 1 . 2]" 1
284 1 45 VAL H 1 45 VAL HB . . 4.140 2.440 2.236 2.630 . 0 0 "[ . 1 . 2]" 1
285 1 72 GLU HB2 1 73 TYR H . . 4.210 2.773 2.178 3.270 . 0 0 "[ . 1 . 2]" 1
286 1 135 GLN H 1 135 GLN HB3 . . 3.040 2.654 2.456 3.239 0.199 15 0 "[ . 1 . 2]" 1
287 1 94 VAL HB 1 95 HIS H . . 4.070 4.030 3.962 4.067 . 0 0 "[ . 1 . 2]" 1
288 1 7 PRO HG3 1 8 LEU H . . 4.170 3.979 3.710 4.151 . 0 0 "[ . 1 . 2]" 1
289 1 94 VAL H 1 94 VAL HB . . 3.680 3.081 2.489 3.530 . 0 0 "[ . 1 . 2]" 1
290 1 75 MET HB3 1 76 PHE H . . 3.900 2.408 2.180 2.601 . 0 0 "[ . 1 . 2]" 1
291 1 75 MET H 1 75 MET HB3 . . 3.350 2.919 2.482 3.335 . 0 0 "[ . 1 . 2]" 1
292 1 28 VAL H 1 28 VAL HB . . 3.880 2.360 2.277 2.652 . 0 0 "[ . 1 . 2]" 1
293 1 135 GLN HB2 1 135 GLN HE21 . . 4.500 4.034 3.262 4.431 . 0 0 "[ . 1 . 2]" 1
294 1 128 MET HB3 1 129 PHE H . . 4.130 4.025 3.484 4.121 . 0 0 "[ . 1 . 2]" 1
295 1 128 MET ME 1 129 PHE H . . 4.650 4.518 4.188 4.651 0.001 18 0 "[ . 1 . 2]" 1
296 1 109 ILE H 1 109 ILE HB . . 3.320 2.689 2.648 2.693 . 0 0 "[ . 1 . 2]" 1
297 1 26 ILE H 1 26 ILE HG13 . . 3.790 2.351 2.230 2.574 . 0 0 "[ . 1 . 2]" 1
298 1 72 GLU H 1 72 GLU HB3 . . 3.960 3.377 3.103 3.590 . 0 0 "[ . 1 . 2]" 1
299 1 126 ILE HB 1 127 GLY H . . 3.940 2.889 2.636 3.055 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE HB 1 22 THR H . . 3.880 2.562 2.375 2.664 . 0 0 "[ . 1 . 2]" 1
301 1 24 LEU H 1 24 LEU HB2 . . 3.970 2.113 2.040 2.589 . 0 0 "[ . 1 . 2]" 1
302 1 21 ILE H 1 21 ILE HB . . 3.540 2.417 2.329 2.580 . 0 0 "[ . 1 . 2]" 1
303 1 68 PRO HB3 1 69 SER H . . 4.140 3.645 3.257 4.109 . 0 0 "[ . 1 . 2]" 1
304 1 92 LEU H 1 92 LEU HB2 . . 3.970 2.219 2.040 2.834 . 0 0 "[ . 1 . 2]" 1
305 1 27 LEU H 1 27 LEU HG . . 4.240 3.426 2.329 4.201 . 0 0 "[ . 1 . 2]" 1
306 1 8 LEU H 1 8 LEU HB3 . . 3.970 3.005 2.731 3.252 . 0 0 "[ . 1 . 2]" 1
307 1 114 LEU HB3 1 115 TRP H . . 3.740 2.960 2.734 3.184 . 0 0 "[ . 1 . 2]" 1
308 1 109 ILE HG13 1 110 ASP H . . 4.910 4.763 3.286 4.927 0.017 16 0 "[ . 1 . 2]" 1
309 1 92 LEU H 1 92 LEU HB3 . . 3.970 3.009 2.215 3.471 . 0 0 "[ . 1 . 2]" 1
310 1 114 LEU H 1 114 LEU HG . . 4.650 3.970 3.281 4.274 . 0 0 "[ . 1 . 2]" 1
311 1 133 LEU H 1 133 LEU HB2 . . 3.630 3.563 3.559 3.628 . 0 0 "[ . 1 . 2]" 1
312 1 109 ILE HG12 1 110 ASP H . . 4.220 4.183 4.158 4.403 0.183 18 0 "[ . 1 . 2]" 1
313 1 63 THR H 1 63 THR MG . . 3.870 2.762 2.021 3.796 . 0 0 "[ . 1 . 2]" 1
314 1 11 THR MG 1 12 ILE H . . 3.810 2.050 2.016 2.086 . 0 0 "[ . 1 . 2]" 1
315 1 101 THR H 1 101 THR MG . . 3.670 2.675 1.994 3.357 . 0 0 "[ . 1 . 2]" 1
316 1 119 PHE H 1 120 VAL MG1 . . 4.090 3.741 3.507 3.911 . 0 0 "[ . 1 . 2]" 1
317 1 82 THR MG 1 83 PHE H . . 3.940 3.355 2.941 3.882 . 0 0 "[ . 1 . 2]" 1
318 1 45 VAL H 1 45 VAL MG1 . . 4.300 3.009 1.957 3.745 . 0 0 "[ . 1 . 2]" 1
319 1 122 VAL H 1 122 VAL MG1 . . 4.040 3.653 2.511 3.759 . 0 0 "[ . 1 . 2]" 1
320 1 120 VAL H 1 120 VAL MG2 . . 3.870 3.765 3.760 3.786 . 0 0 "[ . 1 . 2]" 1
321 1 89 VAL H 1 89 VAL MG2 . . 3.940 2.404 1.947 3.766 . 0 0 "[ . 1 . 2]" 1
322 1 120 VAL MG2 1 121 CYS H . . 4.680 3.742 3.516 3.847 . 0 0 "[ . 1 . 2]" 1
323 1 21 ILE MG 1 22 THR H . . 3.560 3.095 2.764 3.479 . 0 0 "[ . 1 . 2]" 1
324 1 115 TRP H 1 116 ILE MG . . 5.240 4.388 4.323 4.482 . 0 0 "[ . 1 . 2]" 1
325 1 108 GLY H 1 109 ILE MG . . 3.980 3.430 3.040 3.957 . 0 0 "[ . 1 . 2]" 1
326 1 15 ILE MG 1 19 VAL H . . 3.710 3.372 3.179 3.555 . 0 0 "[ . 1 . 2]" 1
327 1 45 VAL H 1 45 VAL MG2 . . 4.300 3.066 2.357 3.766 . 0 0 "[ . 1 . 2]" 1
328 1 126 ILE H 1 126 ILE MG . . 4.390 3.743 3.685 3.772 . 0 0 "[ . 1 . 2]" 1
329 1 116 ILE H 1 116 ILE MG . . 3.170 2.492 2.159 2.827 . 0 0 "[ . 1 . 2]" 1
330 1 15 ILE H 1 15 ILE MD . . 3.380 3.065 2.653 3.376 . 0 0 "[ . 1 . 2]" 1
331 1 126 ILE MG 1 127 GLY H . . 4.010 3.477 3.000 3.891 . 0 0 "[ . 1 . 2]" 1
332 1 94 VAL H 1 94 VAL MG1 . . 3.270 2.279 1.992 2.921 . 0 0 "[ . 1 . 2]" 1
333 1 133 LEU MD2 1 134 PHE H . . 3.880 1.954 1.922 2.553 . 0 0 "[ . 1 . 2]" 1
334 1 21 ILE H 1 21 ILE MD . . 3.330 3.171 2.928 3.328 . 0 0 "[ . 1 . 2]" 1
335 1 85 ILE MG 1 86 VAL H . . 3.770 3.427 3.134 3.605 . 0 0 "[ . 1 . 2]" 1
336 1 118 VAL HB 1 119 PHE H . . 4.880 2.851 2.597 3.037 . 0 0 "[ . 1 . 2]" 1
337 1 4 GLU H 1 5 GLU H . . 3.030 2.622 2.079 3.026 . 0 0 "[ . 1 . 2]" 1
338 1 10 TYR H 1 11 THR H . . 3.250 2.725 2.673 2.901 . 0 0 "[ . 1 . 2]" 1
339 1 99 PRO HB2 1 100 GLU H . . 3.350 3.167 2.956 3.337 . 0 0 "[ . 1 . 2]" 1
340 1 109 ILE H 1 109 ILE HG13 . . 4.830 4.655 4.415 4.682 . 0 0 "[ . 1 . 2]" 1
341 1 110 ASP H 1 111 ARG H . . 3.740 2.719 2.518 2.972 . 0 0 "[ . 1 . 2]" 1
342 1 133 LEU H 1 133 LEU MD2 . . 3.400 1.881 1.876 1.966 . 0 0 "[ . 1 . 2]" 1
343 1 133 LEU H 1 133 LEU HB3 . . 3.120 2.341 2.329 2.546 . 0 0 "[ . 1 . 2]" 1
344 1 114 LEU H 1 114 LEU HB3 . . 3.580 3.355 3.216 3.459 . 0 0 "[ . 1 . 2]" 1
345 1 131 GLN H 1 132 PRO HD2 . . 3.460 2.110 1.964 2.180 . 0 0 "[ . 1 . 2]" 1
346 1 132 PRO HB2 1 133 LEU H . . 4.020 3.048 2.975 3.053 . 0 0 "[ . 1 . 2]" 1
347 1 133 LEU HG 1 134 PHE H . . 3.170 2.826 2.482 2.845 . 0 0 "[ . 1 . 2]" 1
348 1 133 LEU HB2 1 134 PHE H . . 4.110 4.127 4.076 4.131 0.021 5 0 "[ . 1 . 2]" 1
349 1 136 GLU HA 1 137 GLU H . . 2.850 2.423 2.234 2.662 . 0 0 "[ . 1 . 2]" 1
350 1 129 PHE HB3 1 130 LEU H . . 4.380 3.141 2.350 3.450 . 0 0 "[ . 1 . 2]" 1
351 1 129 PHE H 1 129 PHE HB2 . . 3.740 2.444 2.137 2.665 . 0 0 "[ . 1 . 2]" 1
352 1 129 PHE HB2 1 130 LEU H . . 4.380 4.004 3.656 4.168 . 0 0 "[ . 1 . 2]" 1
353 1 128 MET H 1 128 MET HB3 . . 3.630 2.750 2.434 3.619 . 0 0 "[ . 1 . 2]" 1
354 1 122 VAL H 1 122 VAL HB . . 4.140 2.356 2.274 2.456 . 0 0 "[ . 1 . 2]" 1
355 1 117 PHE H 1 117 PHE HD1 . . 4.970 4.294 3.313 4.959 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU H 1 24 LEU HB3 . . 3.970 3.299 2.886 3.585 . 0 0 "[ . 1 . 2]" 1
357 1 14 LEU H 1 15 ILE MD . . 4.770 4.283 3.728 4.759 . 0 0 "[ . 1 . 2]" 1
358 1 109 ILE H 1 109 ILE MG . . 3.350 1.900 1.842 1.907 . 0 0 "[ . 1 . 2]" 1
359 1 80 LEU HA 1 83 PHE H . . 4.280 3.579 3.374 3.860 . 0 0 "[ . 1 . 2]" 1
360 1 82 THR H 1 83 PHE H . . 5.080 2.781 2.659 2.938 . 0 0 "[ . 1 . 2]" 1
361 1 75 MET H 1 75 MET HG3 . . 5.000 4.232 3.702 4.451 . 0 0 "[ . 1 . 2]" 1
362 1 75 MET H 1 75 MET HB2 . . 3.740 2.229 2.061 2.563 . 0 0 "[ . 1 . 2]" 1
363 1 115 TRP H 1 115 TRP HD1 . . 5.110 4.864 4.441 5.060 . 0 0 "[ . 1 . 2]" 1
364 1 10 TYR QD 1 11 THR H . . 5.150 3.671 2.417 4.376 . 0 0 "[ . 1 . 2]" 1
365 1 29 PHE H 1 29 PHE HD1 . . 5.500 4.128 2.159 5.152 . 0 0 "[ . 1 . 2]" 1
366 1 93 ASN H 1 93 ASN HB2 . . 4.090 2.894 2.137 3.926 . 0 0 "[ . 1 . 2]" 1
367 1 74 LEU H 1 74 LEU HB2 . . 3.980 2.353 2.043 2.687 . 0 0 "[ . 1 . 2]" 1
368 1 76 PHE H 1 76 PHE HD1 . . 4.410 3.575 2.367 4.398 . 0 0 "[ . 1 . 2]" 1
369 1 77 THR H 1 77 THR MG . . 3.970 3.711 3.658 3.760 . 0 0 "[ . 1 . 2]" 1
370 1 81 VAL H 1 81 VAL MG2 . . 4.190 2.514 2.107 3.655 . 0 0 "[ . 1 . 2]" 1
371 1 70 VAL HB 1 71 GLY H . . 4.150 3.952 3.763 4.140 . 0 0 "[ . 1 . 2]" 1
372 1 74 LEU H 1 74 LEU HB3 . . 3.980 2.770 2.342 3.318 . 0 0 "[ . 1 . 2]" 1
373 1 46 LEU HA 1 49 LEU H . . 4.030 3.574 3.382 3.857 . 0 0 "[ . 1 . 2]" 1
374 1 49 LEU H 1 49 LEU HB2 . . 4.150 2.231 2.042 2.629 . 0 0 "[ . 1 . 2]" 1
375 1 49 LEU H 1 49 LEU HB3 . . 4.150 2.993 2.383 3.567 . 0 0 "[ . 1 . 2]" 1
376 1 15 ILE H 1 15 ILE HB . . 3.760 2.410 2.277 2.625 . 0 0 "[ . 1 . 2]" 1
377 1 85 ILE H 1 85 ILE MG . . 3.800 3.763 3.755 3.766 . 0 0 "[ . 1 . 2]" 1
378 1 12 ILE H 1 12 ILE HB . . 3.650 2.404 2.299 2.505 . 0 0 "[ . 1 . 2]" 1
379 1 12 ILE HB 1 13 ASN H . . 4.050 2.645 2.519 2.834 . 0 0 "[ . 1 . 2]" 1
380 1 25 ALA H 1 25 ALA MB . . 3.470 2.221 2.135 2.256 . 0 0 "[ . 1 . 2]" 1
381 1 94 VAL MG1 1 95 HIS H . . 4.500 3.578 2.959 3.927 . 0 0 "[ . 1 . 2]" 1
382 1 76 PHE HA 1 80 LEU H . . 5.140 4.251 4.056 4.491 . 0 0 "[ . 1 . 2]" 1
383 1 123 PHE H 1 123 PHE QD . . 5.160 4.048 2.313 4.196 . 0 0 "[ . 1 . 2]" 1
384 1 30 TYR HB2 1 31 LEU H . . 4.400 3.218 2.637 3.557 . 0 0 "[ . 1 . 2]" 1
385 1 80 LEU H 1 83 PHE H . . 5.050 4.959 4.773 5.050 . 0 0 "[ . 1 . 2]" 1
386 1 120 VAL H 1 121 CYS H . . 4.270 2.629 2.386 2.750 . 0 0 "[ . 1 . 2]" 1
387 1 73 TYR H 1 74 LEU H . . 4.230 2.711 2.561 2.903 . 0 0 "[ . 1 . 2]" 1
388 1 53 LEU H 1 56 ILE H . . 5.270 5.239 5.034 5.307 0.037 17 0 "[ . 1 . 2]" 1
389 1 127 GLY H 1 128 MET H . . 4.210 2.870 2.632 2.984 . 0 0 "[ . 1 . 2]" 1
390 1 52 PHE HD1 1 56 ILE H . . 5.330 5.120 4.302 5.330 0.000 5 0 "[ . 1 . 2]" 1
391 1 119 PHE HD1 1 120 VAL H . . 5.350 4.898 3.023 5.333 . 0 0 "[ . 1 . 2]" 1
392 1 82 THR HB 1 83 PHE H . . 4.270 2.596 2.215 2.904 . 0 0 "[ . 1 . 2]" 1
393 1 128 MET HB2 1 129 PHE H . . 4.130 3.823 2.193 4.119 . 0 0 "[ . 1 . 2]" 1
394 1 91 VAL H 1 91 VAL HB . . 4.210 2.404 2.277 2.542 . 0 0 "[ . 1 . 2]" 1
395 1 7 PRO HG2 1 8 LEU H . . 4.170 2.501 2.139 2.732 . 0 0 "[ . 1 . 2]" 1
396 1 68 PRO HB2 1 69 SER H . . 4.140 2.900 2.190 3.691 . 0 0 "[ . 1 . 2]" 1
397 1 122 VAL HB 1 123 PHE H . . 4.260 2.598 2.198 3.920 . 0 0 "[ . 1 . 2]" 1
398 1 48 ALA MB 1 49 LEU H . . 4.290 2.529 2.251 2.767 . 0 0 "[ . 1 . 2]" 1
399 1 46 LEU H 1 47 LEU H . . 4.350 2.627 2.422 2.806 . 0 0 "[ . 1 . 2]" 1
400 1 114 LEU H 1 117 PHE H . . 4.890 4.691 4.507 4.835 . 0 0 "[ . 1 . 2]" 1
401 1 73 TYR H 1 73 TYR HD1 . . 4.320 3.870 2.991 4.997 0.677 8 1 "[ . + 1 . 2]" 1
402 1 63 THR H 1 63 THR HB . . 3.930 3.572 2.701 3.963 0.033 10 0 "[ . 1 . 2]" 1
403 1 119 PHE H 1 120 VAL H . . 4.110 2.764 2.565 2.926 . 0 0 "[ . 1 . 2]" 1
404 1 120 VAL MG1 1 121 CYS H . . 3.950 2.268 2.118 2.400 . 0 0 "[ . 1 . 2]" 1
405 1 86 VAL HB 1 87 THR H . . 4.540 2.612 2.332 2.968 . 0 0 "[ . 1 . 2]" 1
406 1 120 VAL HB 1 121 CYS H . . 5.030 4.057 3.981 4.126 . 0 0 "[ . 1 . 2]" 1
407 1 123 PHE QD 1 124 GLY H . . 4.290 3.624 2.952 4.175 . 0 0 "[ . 1 . 2]" 1
408 1 124 GLY H 1 126 ILE H . . 4.710 4.373 3.957 4.704 . 0 0 "[ . 1 . 2]" 1
409 1 124 GLY H 1 125 THR H . . 4.370 2.785 2.598 2.883 . 0 0 "[ . 1 . 2]" 1
410 1 126 ILE H 1 127 GLY H . . 4.220 2.691 2.509 2.848 . 0 0 "[ . 1 . 2]" 1
411 1 123 PHE HA 1 127 GLY H . . 4.250 4.032 3.384 4.223 . 0 0 "[ . 1 . 2]" 1
412 1 128 MET H 1 128 MET HB2 . . 3.630 3.476 2.592 3.630 . 0 0 "[ . 1 . 2]" 1
413 1 129 PHE H 1 129 PHE HD1 . . 5.270 4.584 3.795 5.152 . 0 0 "[ . 1 . 2]" 1
414 1 131 GLN H 1 131 GLN HE21 . . 4.660 4.414 4.165 4.763 0.103 15 0 "[ . 1 . 2]" 1
415 1 135 GLN HE22 1 135 GLN QG . . 3.400 3.300 3.216 3.399 . 0 0 "[ . 1 . 2]" 1
416 1 133 LEU HA 1 134 PHE H . . 3.530 3.465 3.464 3.467 . 0 0 "[ . 1 . 2]" 1
417 1 135 GLN H 1 136 GLU H . . 3.280 2.482 1.900 2.744 . 0 0 "[ . 1 . 2]" 1
418 1 136 GLU H 1 137 GLU H . . 3.470 3.262 2.931 3.488 0.018 15 0 "[ . 1 . 2]" 1
419 1 7 PRO HB2 1 8 LEU H . . 4.080 3.430 3.132 3.600 . 0 0 "[ . 1 . 2]" 1
420 1 26 ILE H 1 26 ILE HB . . 3.890 2.447 2.398 2.492 . 0 0 "[ . 1 . 2]" 1
421 1 29 PHE HB2 1 30 TYR H . . 4.130 3.180 2.736 3.475 . 0 0 "[ . 1 . 2]" 1
422 1 30 TYR H 1 30 TYR HB2 . . 3.970 2.164 2.103 2.262 . 0 0 "[ . 1 . 2]" 1
423 1 30 TYR H 1 31 LEU H . . 4.320 2.380 2.166 2.513 . 0 0 "[ . 1 . 2]" 1
424 1 30 TYR HB3 1 31 LEU H . . 4.420 3.395 2.795 3.861 . 0 0 "[ . 1 . 2]" 1
425 1 34 ASP H 1 35 CYS H . . 4.930 3.317 2.095 4.587 . 0 0 "[ . 1 . 2]" 1
426 1 26 ILE H 1 26 ILE HG12 . . 4.420 3.732 3.612 3.898 . 0 0 "[ . 1 . 2]" 1
427 1 51 VAL H 1 51 VAL MG1 . . 4.240 3.735 3.692 3.766 . 0 0 "[ . 1 . 2]" 1
428 1 50 THR H 1 50 THR MG . . 3.780 3.604 2.563 3.773 . 0 0 "[ . 1 . 2]" 1
429 1 40 THR H 1 40 THR MG . . 3.860 3.369 2.000 3.767 . 0 0 "[ . 1 . 2]" 1
430 1 12 ILE H 1 12 ILE MG . . 4.150 3.733 3.685 3.760 . 0 0 "[ . 1 . 2]" 1
431 1 72 GLU H 1 72 GLU HB2 . . 3.960 2.192 2.062 2.606 . 0 0 "[ . 1 . 2]" 1
432 1 72 GLU HB3 1 73 TYR H . . 4.210 2.813 2.190 3.663 . 0 0 "[ . 1 . 2]" 1
433 1 74 LEU HA 1 77 THR H . . 4.420 3.393 3.260 3.638 . 0 0 "[ . 1 . 2]" 1
434 1 76 PHE H 1 77 THR H . . 4.310 2.580 2.445 2.707 . 0 0 "[ . 1 . 2]" 1
435 1 79 VAL H 1 79 VAL MG1 . . 4.330 3.231 1.931 3.752 . 0 0 "[ . 1 . 2]" 1
436 1 76 PHE HA 1 79 VAL H . . 4.720 3.633 3.342 3.904 . 0 0 "[ . 1 . 2]" 1
437 1 81 VAL H 1 82 THR H . . 4.390 2.782 2.641 2.925 . 0 0 "[ . 1 . 2]" 1
438 1 80 LEU H 1 81 VAL H . . 4.650 2.688 2.509 2.808 . 0 0 "[ . 1 . 2]" 1
439 1 78 MET HA 1 82 THR H . . 4.330 3.927 3.619 4.304 . 0 0 "[ . 1 . 2]" 1
440 1 63 THR MG 1 64 SER H . . 4.320 3.879 1.960 4.382 0.062 10 0 "[ . 1 . 2]" 1
441 1 83 PHE H 1 84 SER H . . 4.230 2.672 2.531 2.840 . 0 0 "[ . 1 . 2]" 1
442 1 89 VAL H 1 89 VAL MG1 . . 3.940 3.367 2.039 3.783 . 0 0 "[ . 1 . 2]" 1
443 1 4 GLU H 1 4 GLU QB . . 2.540 2.404 2.208 2.536 . 0 0 "[ . 1 . 2]" 1
444 1 4 GLU H 1 4 GLU QG . . 3.450 3.126 2.542 3.449 . 0 0 "[ . 1 . 2]" 1
445 1 4 GLU HA 1 4 GLU QG . . 3.230 2.373 2.080 2.751 . 0 0 "[ . 1 . 2]" 1
446 1 4 GLU QB 1 4 GLU QG . . 2.340 2.047 2.003 2.086 . 0 0 "[ . 1 . 2]" 1
447 1 4 GLU QB 1 5 GLU H . . 4.450 3.710 3.451 3.896 . 0 0 "[ . 1 . 2]" 1
448 1 5 GLU H 1 5 GLU QB . . 3.420 2.893 2.380 3.416 . 0 0 "[ . 1 . 2]" 1
449 1 5 GLU H 1 5 GLU QG . . 2.830 2.432 1.967 2.784 . 0 0 "[ . 1 . 2]" 1
450 1 5 GLU HA 1 5 GLU QG . . 3.500 2.899 2.284 3.398 . 0 0 "[ . 1 . 2]" 1
451 1 5 GLU HA 1 8 LEU QB . . 3.620 2.701 2.020 3.619 . 0 0 "[ . 1 . 2]" 1
452 1 5 GLU QB 1 6 GLU H . . 4.270 3.712 3.187 4.010 . 0 0 "[ . 1 . 2]" 1
453 1 6 GLU H 1 6 GLU QB . . 2.870 2.332 2.109 2.972 0.102 9 0 "[ . 1 . 2]" 1
454 1 6 GLU QG 1 7 PRO HA . . 3.320 3.027 3.025 3.040 . 0 0 "[ . 1 . 2]" 1
455 1 6 GLU QG 1 7 PRO HB3 . . 5.100 3.296 3.289 3.337 . 0 0 "[ . 1 . 2]" 1
456 1 6 GLU QG 1 7 PRO HD3 . . 3.500 1.970 1.956 2.071 . 0 0 "[ . 1 . 2]" 1
457 1 6 GLU QG 1 8 LEU H . . 4.940 4.463 4.372 4.599 . 0 0 "[ . 1 . 2]" 1
458 1 7 PRO QG 1 8 LEU H . . 3.520 2.476 2.126 2.697 . 0 0 "[ . 1 . 2]" 1
459 1 8 LEU H 1 8 LEU QB . . 3.220 2.101 2.025 2.197 . 0 0 "[ . 1 . 2]" 1
460 1 8 LEU H 1 8 LEU QD . . 4.010 3.326 2.942 3.675 . 0 0 "[ . 1 . 2]" 1
461 1 8 LEU H 1 9 PHE QB . . 4.880 4.257 4.005 4.536 . 0 0 "[ . 1 . 2]" 1
462 1 8 LEU HA 1 8 LEU QD . . 3.250 2.415 1.900 3.012 . 0 0 "[ . 1 . 2]" 1
463 1 8 LEU QB 1 8 LEU QD . . 2.840 1.887 1.728 2.046 . 0 0 "[ . 1 . 2]" 1
464 1 8 LEU QB 1 9 PHE H . . 3.550 3.008 2.527 3.147 . 0 0 "[ . 1 . 2]" 1
465 1 8 LEU QB 1 9 PHE HA . . 4.600 3.920 3.777 4.034 . 0 0 "[ . 1 . 2]" 1
466 1 8 LEU QB 1 9 PHE QB . . 5.170 4.211 3.629 4.406 . 0 0 "[ . 1 . 2]" 1
467 1 9 PHE H 1 9 PHE QB . . 3.160 2.172 2.064 2.302 . 0 0 "[ . 1 . 2]" 1
468 1 9 PHE HA 1 12 ILE QG . . 4.030 3.615 3.087 3.981 . 0 0 "[ . 1 . 2]" 1
469 1 9 PHE QB 1 10 TYR H . . 4.140 2.974 2.747 3.055 . 0 0 "[ . 1 . 2]" 1
470 1 10 TYR H 1 10 TYR QB . . 3.270 2.135 2.072 2.200 . 0 0 "[ . 1 . 2]" 1
471 1 10 TYR QB 1 11 THR H . . 4.220 2.299 2.137 2.624 . 0 0 "[ . 1 . 2]" 1
472 1 10 TYR QD 1 14 LEU QB . . 5.340 4.375 3.326 5.044 . 0 0 "[ . 1 . 2]" 1
473 1 10 TYR QD 1 14 LEU QD . . 4.710 3.092 2.506 4.035 . 0 0 "[ . 1 . 2]" 1
474 1 10 TYR QE 1 14 LEU QD . . 3.860 3.206 2.084 3.814 . 0 0 "[ . 1 . 2]" 1
475 1 11 THR MG 1 12 ILE QG . . 3.500 2.227 2.113 2.393 . 0 0 "[ . 1 . 2]" 1
476 1 12 ILE H 1 12 ILE QG . . 4.230 2.342 2.130 2.578 . 0 0 "[ . 1 . 2]" 1
477 1 13 ASN H 1 13 ASN QB . . 3.620 2.149 2.055 2.273 . 0 0 "[ . 1 . 2]" 1
478 1 14 LEU H 1 14 LEU QB . . 3.530 2.163 2.115 2.297 . 0 0 "[ . 1 . 2]" 1
479 1 14 LEU H 1 14 LEU QD . . 4.950 3.571 2.588 3.796 . 0 0 "[ . 1 . 2]" 1
480 1 14 LEU QB 1 15 ILE H . . 3.750 2.953 2.880 3.006 . 0 0 "[ . 1 . 2]" 1
481 1 14 LEU QB 1 15 ILE MD . . 3.530 3.327 2.354 3.530 0.000 5 0 "[ . 1 . 2]" 1
482 1 14 LEU QD 1 18 CYS H . . 4.550 4.276 3.745 4.547 . 0 0 "[ . 1 . 2]" 1
483 1 15 ILE H 1 15 ILE QG . . 3.810 2.645 2.176 3.174 . 0 0 "[ . 1 . 2]" 1
484 1 17 PRO QB 1 18 CYS H . . 3.780 3.122 3.070 3.189 . 0 0 "[ . 1 . 2]" 1
485 1 17 PRO QD 1 18 CYS H . . 4.170 2.607 2.602 2.615 . 0 0 "[ . 1 . 2]" 1
486 1 19 VAL H 1 19 VAL QG . . 3.450 2.062 1.846 2.314 . 0 0 "[ . 1 . 2]" 1
487 1 20 LEU H 1 20 LEU QB . . 3.450 2.136 2.020 2.244 . 0 0 "[ . 1 . 2]" 1
488 1 20 LEU H 1 20 LEU QD . . 4.190 3.368 2.176 3.710 . 0 0 "[ . 1 . 2]" 1
489 1 20 LEU QB 1 21 ILE H . . 4.030 2.522 2.243 2.798 . 0 0 "[ . 1 . 2]" 1
490 1 20 LEU QB 1 22 THR H . . 4.800 4.735 4.564 4.800 . 0 0 "[ . 1 . 2]" 1
491 1 21 ILE H 1 21 ILE QG . . 4.330 2.410 1.997 2.652 . 0 0 "[ . 1 . 2]" 1
492 1 21 ILE QG 1 21 ILE MG . . 3.260 2.171 2.049 2.290 . 0 0 "[ . 1 . 2]" 1
493 1 23 SER QB 1 24 LEU H . . 4.110 3.049 2.627 3.354 . 0 0 "[ . 1 . 2]" 1
494 1 23 SER QB 1 26 ILE MD . . 3.610 3.558 3.312 3.609 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU H 1 24 LEU QB . . 3.470 2.088 2.020 2.532 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU H 1 24 LEU QD . . 3.960 3.097 2.261 3.725 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU QB 1 25 ALA H . . 4.290 2.597 2.202 2.774 . 0 0 "[ . 1 . 2]" 1
498 1 27 LEU H 1 27 LEU QB . . 3.690 2.140 2.022 2.397 . 0 0 "[ . 1 . 2]" 1
499 1 27 LEU H 1 27 LEU QD . . 3.650 3.037 2.165 3.585 . 0 0 "[ . 1 . 2]" 1
500 1 28 VAL H 1 28 VAL QG . . 4.070 2.496 2.113 2.670 . 0 0 "[ . 1 . 2]" 1
501 1 28 VAL QG 1 29 PHE H . . 3.500 2.958 2.656 3.301 . 0 0 "[ . 1 . 2]" 1
502 1 30 TYR HB2 1 31 LEU QD . . 3.720 3.182 2.750 3.662 . 0 0 "[ . 1 . 2]" 1
503 1 30 TYR HB3 1 31 LEU QD . . 2.990 2.412 1.998 2.963 . 0 0 "[ . 1 . 2]" 1
504 1 31 LEU H 1 31 LEU QB . . 3.660 2.453 2.150 2.633 . 0 0 "[ . 1 . 2]" 1
505 1 31 LEU H 1 31 LEU QD . . 3.870 2.928 2.526 3.333 . 0 0 "[ . 1 . 2]" 1
506 1 31 LEU HA 1 31 LEU QD . . 3.220 2.743 1.919 3.032 . 0 0 "[ . 1 . 2]" 1
507 1 34 ASP H 1 34 ASP QB . . 3.600 2.680 2.230 3.113 . 0 0 "[ . 1 . 2]" 1
508 1 35 CYS QB 1 36 GLY H . . 4.250 3.190 2.872 3.661 . 0 0 "[ . 1 . 2]" 1
509 1 35 CYS QB 1 37 GLU H . . 4.660 3.987 3.327 4.657 . 0 0 "[ . 1 . 2]" 1
510 1 37 GLU H 1 37 GLU QG . . 4.150 3.679 2.931 4.043 . 0 0 "[ . 1 . 2]" 1
511 1 37 GLU QB 1 38 LYS H . . 4.280 2.839 2.472 3.063 . 0 0 "[ . 1 . 2]" 1
512 1 38 LYS H 1 38 LYS QB . . 3.670 2.223 2.038 2.554 . 0 0 "[ . 1 . 2]" 1
513 1 39 MET QB 1 40 THR H . . 4.150 2.594 2.348 2.846 . 0 0 "[ . 1 . 2]" 1
514 1 41 LEU HA 1 41 LEU QD . . 3.530 2.151 1.940 2.724 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU QD 1 42 CYS H . . 4.670 3.499 2.427 3.887 . 0 0 "[ . 1 . 2]" 1
516 1 41 LEU QD 1 45 VAL H . . 3.050 2.929 2.716 3.041 . 0 0 "[ . 1 . 2]" 1
517 1 41 LEU QD 1 45 VAL HB . . 3.430 2.996 2.103 3.416 . 0 0 "[ . 1 . 2]" 1
518 1 41 LEU QD 1 45 VAL QG . . 2.850 2.271 1.787 2.805 . 0 0 "[ . 1 . 2]" 1
519 1 42 CYS QB 1 44 SER H . . 4.980 4.691 4.461 4.854 . 0 0 "[ . 1 . 2]" 1
520 1 43 ILE H 1 43 ILE QG . . 4.520 2.401 1.964 2.944 . 0 0 "[ . 1 . 2]" 1
521 1 44 SER H 1 44 SER QB . . 3.570 2.193 2.069 2.477 . 0 0 "[ . 1 . 2]" 1
522 1 45 VAL H 1 45 VAL QG . . 3.710 2.314 1.951 2.606 . 0 0 "[ . 1 . 2]" 1
523 1 45 VAL H 1 46 LEU QB . . 4.880 4.464 4.314 4.592 . 0 0 "[ . 1 . 2]" 1
524 1 45 VAL QG 1 46 LEU H . . 3.940 2.603 1.928 3.143 . 0 0 "[ . 1 . 2]" 1
525 1 46 LEU H 1 46 LEU QB . . 3.630 2.165 2.025 2.260 . 0 0 "[ . 1 . 2]" 1
526 1 46 LEU QB 1 47 LEU H . . 4.130 2.579 2.195 2.912 . 0 0 "[ . 1 . 2]" 1
527 1 46 LEU QD 1 47 LEU H . . 4.590 3.713 2.362 4.186 . 0 0 "[ . 1 . 2]" 1
528 1 47 LEU H 1 47 LEU QD . . 4.810 3.392 2.404 3.723 . 0 0 "[ . 1 . 2]" 1
529 1 47 LEU QB 1 48 ALA H . . 3.850 2.482 2.077 2.807 . 0 0 "[ . 1 . 2]" 1
530 1 47 LEU QB 1 48 ALA MB . . 4.190 3.790 3.599 4.075 . 0 0 "[ . 1 . 2]" 1
531 1 48 ALA H 1 49 LEU QB . . 5.030 4.457 4.326 4.742 . 0 0 "[ . 1 . 2]" 1
532 1 48 ALA MB 1 49 LEU QB . . 4.380 3.885 3.688 4.170 . 0 0 "[ . 1 . 2]" 1
533 1 49 LEU H 1 49 LEU QB . . 3.620 2.123 2.020 2.332 . 0 0 "[ . 1 . 2]" 1
534 1 49 LEU H 1 49 LEU QD . . 4.120 3.268 2.361 3.731 . 0 0 "[ . 1 . 2]" 1
535 1 49 LEU HA 1 49 LEU QD . . 2.710 2.154 1.875 2.619 . 0 0 "[ . 1 . 2]" 1
536 1 49 LEU QB 1 50 THR H . . 4.360 2.625 2.217 2.925 . 0 0 "[ . 1 . 2]" 1
537 1 51 VAL H 1 51 VAL QG . . 3.440 2.321 1.936 2.578 . 0 0 "[ . 1 . 2]" 1
538 1 51 VAL HA 1 55 LEU QB . . 5.340 5.060 4.525 5.335 . 0 0 "[ . 1 . 2]" 1
539 1 51 VAL QG 1 55 LEU QB . . 4.030 3.727 3.437 4.005 . 0 0 "[ . 1 . 2]" 1
540 1 52 PHE H 1 52 PHE QB . . 3.370 2.207 2.099 2.283 . 0 0 "[ . 1 . 2]" 1
541 1 52 PHE HA 1 55 LEU QD . . 3.670 2.741 2.012 3.671 0.001 14 0 "[ . 1 . 2]" 1
542 1 52 PHE QB 1 53 LEU H . . 4.170 2.609 2.245 2.774 . 0 0 "[ . 1 . 2]" 1
543 1 52 PHE QB 1 56 ILE MD . . 4.560 3.054 2.752 3.986 . 0 0 "[ . 1 . 2]" 1
544 1 52 PHE HD1 1 55 LEU QD . . 3.240 2.738 2.193 3.216 . 0 0 "[ . 1 . 2]" 1
545 1 53 LEU H 1 53 LEU QB . . 3.660 2.141 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
546 1 53 LEU H 1 53 LEU QD . . 3.970 3.532 2.812 3.739 . 0 0 "[ . 1 . 2]" 1
547 1 53 LEU HA 1 53 LEU QD . . 3.820 2.586 1.919 3.118 . 0 0 "[ . 1 . 2]" 1
548 1 54 LEU H 1 54 LEU QB . . 3.290 2.145 2.023 2.409 . 0 0 "[ . 1 . 2]" 1
549 1 54 LEU H 1 54 LEU QD . . 4.210 3.210 2.701 3.722 . 0 0 "[ . 1 . 2]" 1
550 1 54 LEU QD 1 55 LEU H . . 4.730 4.059 3.060 4.210 . 0 0 "[ . 1 . 2]" 1
551 1 55 LEU H 1 55 LEU QB . . 3.560 2.078 2.020 2.232 . 0 0 "[ . 1 . 2]" 1
552 1 55 LEU H 1 55 LEU QD . . 4.960 3.477 3.016 3.732 . 0 0 "[ . 1 . 2]" 1
553 1 55 LEU QB 1 56 ILE H . . 3.930 2.159 1.960 2.402 . 0 0 "[ . 1 . 2]" 1
554 1 55 LEU QB 1 56 ILE QG . . 4.370 2.967 2.599 3.730 . 0 0 "[ . 1 . 2]" 1
555 1 55 LEU QB 1 56 ILE MD . . 3.500 2.526 2.108 3.086 . 0 0 "[ . 1 . 2]" 1
556 1 55 LEU QD 1 56 ILE MD . . 3.610 3.120 1.933 3.588 . 0 0 "[ . 1 . 2]" 1
557 1 56 ILE H 1 56 ILE QG . . 4.030 2.581 2.294 3.223 . 0 0 "[ . 1 . 2]" 1
558 1 56 ILE HA 1 56 ILE QG . . 3.630 2.383 2.083 2.504 . 0 0 "[ . 1 . 2]" 1
559 1 56 ILE QG 1 56 ILE MG . . 3.110 1.946 1.907 2.069 . 0 0 "[ . 1 . 2]" 1
560 1 57 SER H 1 57 SER QB . . 3.510 2.202 2.061 2.261 . 0 0 "[ . 1 . 2]" 1
561 1 57 SER QB 1 58 LYS H . . 4.200 2.766 2.519 3.452 . 0 0 "[ . 1 . 2]" 1
562 1 58 LYS H 1 58 LYS QB . . 3.600 2.371 2.058 2.811 . 0 0 "[ . 1 . 2]" 1
563 1 58 LYS H 1 58 LYS QG . . 4.440 3.310 2.073 4.055 . 0 0 "[ . 1 . 2]" 1
564 1 58 LYS QB 1 59 ILE H . . 4.270 2.994 2.340 3.642 . 0 0 "[ . 1 . 2]" 1
565 1 59 ILE H 1 59 ILE QG . . 3.770 2.971 2.286 3.789 0.019 5 0 "[ . 1 . 2]" 1
566 1 59 ILE HA 1 59 ILE QG . . 3.670 2.631 2.164 3.100 . 0 0 "[ . 1 . 2]" 1
567 1 60 VAL H 1 60 VAL QG . . 3.450 2.156 1.877 2.676 . 0 0 "[ . 1 . 2]" 1
568 1 60 VAL H 1 61 PRO QD . . 4.700 3.855 2.430 4.376 . 0 0 "[ . 1 . 2]" 1
569 1 60 VAL HA 1 60 VAL QG . . 3.040 2.163 2.025 2.473 . 0 0 "[ . 1 . 2]" 1
570 1 60 VAL HA 1 61 PRO QD . . 3.530 2.085 2.015 2.142 . 0 0 "[ . 1 . 2]" 1
571 1 60 VAL QG 1 61 PRO QD . . 3.610 2.798 2.017 3.380 . 0 0 "[ . 1 . 2]" 1
572 1 61 PRO QB 1 62 PRO QD . . 3.380 1.999 1.998 2.001 . 0 0 "[ . 1 . 2]" 1
573 1 61 PRO QB 1 63 THR H . . 4.040 2.340 2.193 2.923 . 0 0 "[ . 1 . 2]" 1
574 1 61 PRO QB 1 63 THR MG . . 4.790 3.710 2.291 4.755 . 0 0 "[ . 1 . 2]" 1
575 1 62 PRO QB 1 63 THR H . . 3.790 3.378 2.824 3.578 . 0 0 "[ . 1 . 2]" 1
576 1 62 PRO QB 1 63 THR MG . . 5.190 3.874 2.272 5.339 0.149 10 0 "[ . 1 . 2]" 1
577 1 62 PRO QG 1 63 THR H . . 3.510 2.653 1.912 2.973 . 0 0 "[ . 1 . 2]" 1
578 1 62 PRO QD 1 63 THR H . . 4.020 2.695 2.601 2.771 . 0 0 "[ . 1 . 2]" 1
579 1 64 SER H 1 64 SER QB . . 3.630 2.673 2.116 3.123 . 0 0 "[ . 1 . 2]" 1
580 1 65 SER H 1 65 SER QB . . 3.620 2.789 2.249 3.452 . 0 0 "[ . 1 . 2]" 1
581 1 65 SER QB 1 66 ASP H . . 3.520 2.679 1.947 3.519 . 0 0 "[ . 1 . 2]" 1
582 1 66 ASP H 1 66 ASP QB . . 3.430 2.689 2.189 3.416 . 0 0 "[ . 1 . 2]" 1
583 1 66 ASP QB 1 67 SER H . . 4.400 2.949 1.970 3.952 . 0 0 "[ . 1 . 2]" 1
584 1 67 SER H 1 67 SER QB . . 3.320 2.809 2.133 3.317 . 0 0 "[ . 1 . 2]" 1
585 1 68 PRO QB 1 69 SER H . . 3.640 2.779 2.158 3.441 . 0 0 "[ . 1 . 2]" 1
586 1 69 SER H 1 69 SER QB . . 3.550 2.656 2.242 3.438 . 0 0 "[ . 1 . 2]" 1
587 1 69 SER QB 1 70 VAL H . . 3.760 3.055 1.949 3.741 . 0 0 "[ . 1 . 2]" 1
588 1 70 VAL H 1 70 VAL QG . . 3.980 1.957 1.823 2.335 . 0 0 "[ . 1 . 2]" 1
589 1 70 VAL HA 1 70 VAL QG . . 3.060 2.273 2.177 2.359 . 0 0 "[ . 1 . 2]" 1
590 1 70 VAL QG 1 71 GLY H . . 3.940 2.174 1.976 2.428 . 0 0 "[ . 1 . 2]" 1
591 1 70 VAL QG 1 72 GLU H . . 4.830 4.179 4.064 4.436 . 0 0 "[ . 1 . 2]" 1
592 1 71 GLY QA 1 74 LEU H . . 4.620 3.502 3.328 3.773 . 0 0 "[ . 1 . 2]" 1
593 1 72 GLU H 1 72 GLU QG . . 3.660 3.089 1.980 3.626 . 0 0 "[ . 1 . 2]" 1
594 1 72 GLU QB 1 73 TYR H . . 3.490 2.394 2.134 2.742 . 0 0 "[ . 1 . 2]" 1
595 1 73 TYR H 1 73 TYR QB . . 3.690 2.475 2.171 2.608 . 0 0 "[ . 1 . 2]" 1
596 1 74 LEU H 1 74 LEU QB . . 3.480 2.144 2.024 2.231 . 0 0 "[ . 1 . 2]" 1
597 1 74 LEU H 1 74 LEU QD . . 4.320 3.402 2.711 3.730 . 0 0 "[ . 1 . 2]" 1
598 1 74 LEU HA 1 74 LEU QD . . 3.710 2.068 1.827 2.246 . 0 0 "[ . 1 . 2]" 1
599 1 74 LEU QB 1 77 THR HB . . 5.080 4.285 4.107 4.626 . 0 0 "[ . 1 . 2]" 1
600 1 74 LEU QD 1 77 THR H . . 4.230 4.147 3.986 4.225 . 0 0 "[ . 1 . 2]" 1
601 1 74 LEU QD 1 77 THR MG . . 3.330 2.884 2.579 3.292 . 0 0 "[ . 1 . 2]" 1
602 1 74 LEU QD 1 78 MET H . . 4.510 3.376 2.889 3.978 . 0 0 "[ . 1 . 2]" 1
603 1 74 LEU QD 1 78 MET QG . . 4.060 2.435 1.923 3.671 . 0 0 "[ . 1 . 2]" 1
604 1 75 MET H 1 75 MET QG . . 4.380 3.841 3.413 4.026 . 0 0 "[ . 1 . 2]" 1
605 1 75 MET HB3 1 76 PHE QB . . 4.590 4.171 3.709 4.567 . 0 0 "[ . 1 . 2]" 1
606 1 75 MET QG 1 79 VAL QG . . 4.680 3.710 2.809 4.616 . 0 0 "[ . 1 . 2]" 1
607 1 76 PHE H 1 76 PHE QB . . 3.370 2.284 2.047 2.594 . 0 0 "[ . 1 . 2]" 1
608 1 76 PHE HA 1 79 VAL QG . . 3.470 2.703 2.011 3.217 . 0 0 "[ . 1 . 2]" 1
609 1 76 PHE HA 1 80 LEU QB . . 5.030 4.906 4.712 5.021 . 0 0 "[ . 1 . 2]" 1
610 1 76 PHE QB 1 77 THR H . . 4.100 2.852 2.651 3.027 . 0 0 "[ . 1 . 2]" 1
611 1 76 PHE QB 1 79 VAL QG . . 4.420 4.108 3.363 4.411 . 0 0 "[ . 1 . 2]" 1
612 1 76 PHE HD1 1 79 VAL QG . . 4.200 3.646 2.649 4.136 . 0 0 "[ . 1 . 2]" 1
613 1 77 THR MG 1 78 MET QG . . 3.970 3.361 2.847 3.919 . 0 0 "[ . 1 . 2]" 1
614 1 78 MET H 1 78 MET QB . . 3.560 2.240 2.043 2.593 . 0 0 "[ . 1 . 2]" 1
615 1 78 MET H 1 78 MET QG . . 4.880 2.765 2.122 3.696 . 0 0 "[ . 1 . 2]" 1
616 1 78 MET QB 1 79 VAL H . . 4.180 2.594 2.176 2.840 . 0 0 "[ . 1 . 2]" 1
617 1 78 MET ME 1 78 MET QG . . 3.410 2.127 1.970 2.419 . 0 0 "[ . 1 . 2]" 1
618 1 78 MET QG 1 79 VAL H . . 4.880 4.240 3.833 4.550 . 0 0 "[ . 1 . 2]" 1
619 1 79 VAL H 1 79 VAL QG . . 3.730 2.306 1.865 2.660 . 0 0 "[ . 1 . 2]" 1
620 1 79 VAL H 1 80 LEU QB . . 5.340 4.474 4.199 4.668 . 0 0 "[ . 1 . 2]" 1
621 1 79 VAL QG 1 80 LEU H . . 4.230 2.528 1.978 3.023 . 0 0 "[ . 1 . 2]" 1
622 1 79 VAL QG 1 80 LEU QB . . 3.620 3.417 3.092 3.618 . 0 0 "[ . 1 . 2]" 1
623 1 80 LEU H 1 80 LEU QB . . 3.490 2.084 2.021 2.249 . 0 0 "[ . 1 . 2]" 1
624 1 80 LEU H 1 80 LEU QD . . 4.240 3.168 2.699 3.675 . 0 0 "[ . 1 . 2]" 1
625 1 80 LEU HA 1 80 LEU QD . . 3.590 2.328 1.873 2.960 . 0 0 "[ . 1 . 2]" 1
626 1 80 LEU QB 1 81 VAL H . . 4.420 2.538 2.331 2.836 . 0 0 "[ . 1 . 2]" 1
627 1 80 LEU QD 1 81 VAL H . . 5.100 3.891 3.464 4.147 . 0 0 "[ . 1 . 2]" 1
628 1 80 LEU QD 1 83 PHE H . . 5.440 4.792 3.876 5.248 . 0 0 "[ . 1 . 2]" 1
629 1 80 LEU QD 1 83 PHE QB . . 4.080 3.648 2.589 4.078 . 0 0 "[ . 1 . 2]" 1
630 1 80 LEU QD 1 84 SER H . . 5.440 4.663 3.545 5.400 . 0 0 "[ . 1 . 2]" 1
631 1 81 VAL H 1 81 VAL QG . . 3.600 2.428 2.097 2.575 . 0 0 "[ . 1 . 2]" 1
632 1 81 VAL QG 1 82 THR H . . 3.360 2.910 2.350 3.314 . 0 0 "[ . 1 . 2]" 1
633 1 81 VAL QG 1 85 ILE H . . 4.550 3.808 3.514 4.130 . 0 0 "[ . 1 . 2]" 1
634 1 81 VAL QG 1 85 ILE QG . . 3.640 2.608 2.132 2.905 . 0 0 "[ . 1 . 2]" 1
635 1 83 PHE H 1 83 PHE QB . . 3.640 2.104 2.045 2.255 . 0 0 "[ . 1 . 2]" 1
636 1 84 SER H 1 84 SER QB . . 3.670 2.233 2.051 2.890 . 0 0 "[ . 1 . 2]" 1
637 1 85 ILE H 1 85 ILE QG . . 4.100 2.073 1.944 2.290 . 0 0 "[ . 1 . 2]" 1
638 1 86 VAL QG 1 87 THR H . . 4.100 3.019 2.542 3.407 . 0 0 "[ . 1 . 2]" 1
639 1 89 VAL H 1 89 VAL QG . . 3.320 2.204 1.845 2.565 . 0 0 "[ . 1 . 2]" 1
640 1 91 VAL H 1 91 VAL QG . . 4.120 2.474 2.115 2.711 . 0 0 "[ . 1 . 2]" 1
641 1 91 VAL QG 1 92 LEU H . . 3.900 3.063 2.333 3.400 . 0 0 "[ . 1 . 2]" 1
642 1 92 LEU HA 1 92 LEU QD . . 3.380 2.381 1.951 2.928 . 0 0 "[ . 1 . 2]" 1
643 1 93 ASN H 1 93 ASN QB . . 3.590 2.618 2.097 3.326 . 0 0 "[ . 1 . 2]" 1
644 1 93 ASN QB 1 94 VAL H . . 3.800 3.198 2.130 3.785 . 0 0 "[ . 1 . 2]" 1
645 1 94 VAL HA 1 95 HIS QB . . 4.320 3.986 3.836 4.291 . 0 0 "[ . 1 . 2]" 1
646 1 95 HIS H 1 95 HIS QB . . 3.620 2.745 2.327 2.970 . 0 0 "[ . 1 . 2]" 1
647 1 97 ARG HA 1 97 ARG QG . . 3.620 2.370 2.020 3.408 . 0 0 "[ . 1 . 2]" 1
648 1 97 ARG QB 1 97 ARG QG . . 2.350 2.043 1.997 2.086 . 0 0 "[ . 1 . 2]" 1
649 1 97 ARG QB 1 97 ARG QD . . 3.180 2.117 1.980 2.383 . 0 0 "[ . 1 . 2]" 1
650 1 97 ARG QB 1 98 SER H . . 3.770 3.111 2.240 3.757 . 0 0 "[ . 1 . 2]" 1
651 1 98 SER H 1 98 SER QB . . 3.430 3.076 2.094 3.414 . 0 0 "[ . 1 . 2]" 1
652 1 98 SER HA 1 99 PRO QD . . 2.510 2.154 2.153 2.154 . 0 0 "[ . 1 . 2]" 1
653 1 98 SER QB 1 99 PRO HG2 . . 3.860 3.692 3.578 3.748 . 0 0 "[ . 1 . 2]" 1
654 1 99 PRO QD 1 100 GLU H . . 3.390 2.623 2.602 2.677 . 0 0 "[ . 1 . 2]" 1
655 1 100 GLU H 1 100 GLU QB . . 2.950 2.567 2.250 2.940 . 0 0 "[ . 1 . 2]" 1
656 1 100 GLU H 1 100 GLU QG . . 4.970 4.063 3.759 4.283 . 0 0 "[ . 1 . 2]" 1
657 1 100 GLU HA 1 100 GLU QG . . 3.600 2.179 2.006 2.689 . 0 0 "[ . 1 . 2]" 1
658 1 100 GLU QB 1 101 THR H . . 4.180 3.139 2.156 3.966 . 0 0 "[ . 1 . 2]" 1
659 1 100 GLU QG 1 101 THR H . . 4.020 2.662 2.023 3.340 . 0 0 "[ . 1 . 2]" 1
660 1 100 GLU QG 1 101 THR MG . . 4.780 4.486 3.304 4.761 . 0 0 "[ . 1 . 2]" 1
661 1 102 HIS H 1 102 HIS QB . . 3.700 2.516 2.101 3.284 . 0 0 "[ . 1 . 2]" 1
662 1 102 HIS QB 1 103 THR H . . 4.210 2.935 1.931 3.974 . 0 0 "[ . 1 . 2]" 1
663 1 102 HIS QB 1 103 THR HA . . 4.560 4.297 3.955 4.554 . 0 0 "[ . 1 . 2]" 1
664 1 104 GLY QA 1 105 GLY H . . 2.950 2.333 2.114 2.889 . 0 0 "[ . 1 . 2]" 1
665 1 105 GLY QA 1 106 GLY H . . 2.770 2.309 2.125 2.738 . 0 0 "[ . 1 . 2]" 1
666 1 107 GLY QA 1 109 ILE MG . . 3.690 3.235 2.837 3.645 . 0 0 "[ . 1 . 2]" 1
667 1 108 GLY QA 1 111 ARG QB . . 3.660 2.871 2.387 3.368 . 0 0 "[ . 1 . 2]" 1
668 1 108 GLY QA 1 111 ARG QD . . 4.090 3.813 3.273 4.082 . 0 0 "[ . 1 . 2]" 1
669 1 109 ILE HA 1 112 LEU QB . . 4.660 2.609 2.105 3.274 . 0 0 "[ . 1 . 2]" 1
670 1 109 ILE HA 1 113 PHE QB . . 5.310 5.044 4.392 5.311 0.001 15 0 "[ . 1 . 2]" 1
671 1 109 ILE MG 1 110 ASP QB . . 3.760 3.361 2.755 3.685 . 0 0 "[ . 1 . 2]" 1
672 1 109 ILE HG12 1 113 PHE QB . . 4.670 3.992 3.534 4.670 0.000 18 0 "[ . 1 . 2]" 1
673 1 109 ILE MD 1 110 ASP QB . . 5.080 3.825 3.132 5.088 0.008 18 0 "[ . 1 . 2]" 1
674 1 110 ASP H 1 110 ASP QB . . 3.370 2.283 2.074 2.698 . 0 0 "[ . 1 . 2]" 1
675 1 110 ASP QB 1 111 ARG H . . 3.620 2.499 2.236 3.099 . 0 0 "[ . 1 . 2]" 1
676 1 110 ASP QB 1 111 ARG HA . . 4.130 3.836 3.681 4.132 0.002 18 0 "[ . 1 . 2]" 1
677 1 111 ARG H 1 111 ARG QB . . 3.410 2.118 2.040 2.539 . 0 0 "[ . 1 . 2]" 1
678 1 111 ARG H 1 111 ARG QG . . 3.880 3.545 2.068 3.865 . 0 0 "[ . 1 . 2]" 1
679 1 111 ARG QB 1 111 ARG QD . . 3.250 2.155 1.977 2.371 . 0 0 "[ . 1 . 2]" 1
680 1 111 ARG QB 1 112 LEU QD . . 4.660 3.754 2.473 4.470 . 0 0 "[ . 1 . 2]" 1
681 1 112 LEU H 1 112 LEU QB . . 3.250 2.082 2.021 2.238 . 0 0 "[ . 1 . 2]" 1
682 1 112 LEU H 1 112 LEU QD . . 3.660 3.072 2.438 3.577 . 0 0 "[ . 1 . 2]" 1
683 1 112 LEU HA 1 112 LEU QD . . 2.880 2.384 1.927 2.828 . 0 0 "[ . 1 . 2]" 1
684 1 112 LEU QB 1 113 PHE H . . 3.300 2.472 2.145 2.819 . 0 0 "[ . 1 . 2]" 1
685 1 112 LEU QB 1 113 PHE HA . . 3.930 3.741 3.646 3.857 . 0 0 "[ . 1 . 2]" 1
686 1 112 LEU QB 1 113 PHE QB . . 4.040 3.806 3.582 4.033 . 0 0 "[ . 1 . 2]" 1
687 1 113 PHE H 1 113 PHE QB . . 3.240 2.169 2.052 2.275 . 0 0 "[ . 1 . 2]" 1
688 1 113 PHE HA 1 116 ILE QG . . 4.710 3.104 2.045 4.562 . 0 0 "[ . 1 . 2]" 1
689 1 113 PHE QB 1 114 LEU H . . 3.780 2.946 2.683 3.148 . 0 0 "[ . 1 . 2]" 1
690 1 113 PHE QB 1 116 ILE MD . . 4.810 4.135 3.346 4.818 0.008 18 0 "[ . 1 . 2]" 1
691 1 114 LEU H 1 114 LEU QD . . 3.770 2.773 2.425 3.221 . 0 0 "[ . 1 . 2]" 1
692 1 114 LEU HA 1 114 LEU QD . . 2.910 2.503 1.946 2.838 . 0 0 "[ . 1 . 2]" 1
693 1 114 LEU HB3 1 115 TRP QB . . 4.290 4.197 3.926 4.287 . 0 0 "[ . 1 . 2]" 1
694 1 114 LEU QD 1 115 TRP H . . 4.070 3.989 3.861 4.052 . 0 0 "[ . 1 . 2]" 1
695 1 113 PHE HD2 1 114 LEU QD . . 5.370 3.274 2.031 5.994 0.624 7 1 "[ . + 1 . 2]" 1
696 1 115 TRP H 1 115 TRP QB . . 3.540 2.226 2.111 2.291 . 0 0 "[ . 1 . 2]" 1
697 1 116 ILE H 1 116 ILE QG . . 3.920 2.801 2.022 3.836 . 0 0 "[ . 1 . 2]" 1
698 1 117 PHE H 1 117 PHE QB . . 3.460 2.176 2.069 2.281 . 0 0 "[ . 1 . 2]" 1
699 1 117 PHE QB 1 118 VAL H . . 4.210 2.518 2.140 3.020 . 0 0 "[ . 1 . 2]" 1
700 1 118 VAL H 1 118 VAL QG . . 3.530 2.226 1.927 2.597 . 0 0 "[ . 1 . 2]" 1
701 1 118 VAL HB 1 119 PHE QB . . 4.770 4.221 4.049 4.545 . 0 0 "[ . 1 . 2]" 1
702 1 119 PHE H 1 119 PHE QB . . 3.380 2.183 2.046 2.267 . 0 0 "[ . 1 . 2]" 1
703 1 119 PHE QB 1 120 VAL H . . 4.350 2.305 2.091 2.773 . 0 0 "[ . 1 . 2]" 1
704 1 120 VAL MG1 1 121 CYS QB . . 4.620 3.168 2.741 3.578 . 0 0 "[ . 1 . 2]" 1
705 1 121 CYS H 1 121 CYS QB . . 3.630 2.198 2.136 2.384 . 0 0 "[ . 1 . 2]" 1
706 1 121 CYS QB 1 122 VAL H . . 3.870 2.720 2.291 3.591 . 0 0 "[ . 1 . 2]" 1
707 1 122 VAL H 1 122 VAL QG . . 3.230 2.494 2.289 2.768 . 0 0 "[ . 1 . 2]" 1
708 1 122 VAL HA 1 126 ILE QG . . 3.920 3.379 2.620 3.913 . 0 0 "[ . 1 . 2]" 1
709 1 122 VAL QG 1 123 PHE H . . 4.060 2.832 2.293 3.179 . 0 0 "[ . 1 . 2]" 1
710 1 122 VAL QG 1 123 PHE HA . . 4.030 3.078 2.892 3.333 . 0 0 "[ . 1 . 2]" 1
711 1 122 VAL QG 1 123 PHE QB . . 3.990 3.592 3.043 3.944 . 0 0 "[ . 1 . 2]" 1
712 1 122 VAL QG 1 126 ILE QG . . 3.540 2.545 1.891 3.268 . 0 0 "[ . 1 . 2]" 1
713 1 123 PHE H 1 123 PHE QB . . 3.660 2.244 2.104 2.467 . 0 0 "[ . 1 . 2]" 1
714 1 123 PHE HA 1 124 GLY QA . . 5.120 4.457 4.428 4.486 . 0 0 "[ . 1 . 2]" 1
715 1 123 PHE HA 1 127 GLY QA . . 5.340 4.792 3.947 5.335 . 0 0 "[ . 1 . 2]" 1
716 1 123 PHE QB 1 124 GLY H . . 4.030 2.554 2.158 2.880 . 0 0 "[ . 1 . 2]" 1
717 1 126 ILE H 1 126 ILE QG . . 3.740 2.238 1.965 2.586 . 0 0 "[ . 1 . 2]" 1
718 1 126 ILE HA 1 129 PHE QB . . 4.200 2.275 1.987 3.757 . 0 0 "[ . 1 . 2]" 1
719 1 126 ILE MG 1 127 GLY QA . . 4.250 3.330 2.983 3.814 . 0 0 "[ . 1 . 2]" 1
720 1 126 ILE MG 1 129 PHE QB . . 4.460 3.522 3.066 4.448 . 0 0 "[ . 1 . 2]" 1
721 1 126 ILE QG 1 127 GLY H . . 4.660 4.190 4.052 4.331 . 0 0 "[ . 1 . 2]" 1
722 1 128 MET H 1 128 MET QB . . 3.030 2.556 2.397 2.703 . 0 0 "[ . 1 . 2]" 1
723 1 128 MET H 1 128 MET QG . . 3.500 2.051 1.943 2.332 . 0 0 "[ . 1 . 2]" 1
724 1 129 PHE H 1 129 PHE QB . . 3.210 2.248 2.102 2.303 . 0 0 "[ . 1 . 2]" 1
725 1 129 PHE QB 1 130 LEU H . . 3.730 3.023 2.324 3.182 . 0 0 "[ . 1 . 2]" 1
726 1 130 LEU H 1 130 LEU QB . . 3.360 2.180 2.065 2.309 . 0 0 "[ . 1 . 2]" 1
727 1 130 LEU H 1 130 LEU QD . . 3.960 3.555 3.038 3.747 . 0 0 "[ . 1 . 2]" 1
728 1 130 LEU H 1 131 GLN QB . . 4.770 4.122 3.989 4.206 . 0 0 "[ . 1 . 2]" 1
729 1 130 LEU HA 1 130 LEU QD . . 3.050 2.687 1.967 3.045 . 0 0 "[ . 1 . 2]" 1
730 1 130 LEU QD 1 131 GLN H . . 4.950 4.265 3.801 4.520 . 0 0 "[ . 1 . 2]" 1
731 1 131 GLN H 1 131 GLN QB . . 3.050 2.127 2.109 2.141 . 0 0 "[ . 1 . 2]" 1
732 1 131 GLN H 1 132 PRO QG . . 4.530 4.012 3.883 4.074 . 0 0 "[ . 1 . 2]" 1
733 1 131 GLN QB 1 132 PRO HD2 . . 3.540 2.469 2.463 2.471 . 0 0 "[ . 1 . 2]" 1
734 1 132 PRO QG 1 133 LEU H . . 4.430 4.434 4.393 4.437 0.007 4 0 "[ . 1 . 2]" 1
735 1 133 LEU HB2 1 134 PHE QB . . 4.190 4.132 3.957 4.188 . 0 0 "[ . 1 . 2]" 1
736 1 134 PHE H 1 134 PHE QB . . 3.090 2.904 2.853 2.964 . 0 0 "[ . 1 . 2]" 1
737 1 134 PHE QB 1 135 GLN H . . 3.310 2.181 2.029 2.370 . 0 0 "[ . 1 . 2]" 1
738 1 134 PHE QB 1 135 GLN HA . . 4.500 4.243 3.951 4.390 . 0 0 "[ . 1 . 2]" 1
739 1 134 PHE QB 1 135 GLN HB2 . . 5.220 5.092 4.690 5.221 0.001 2 0 "[ . 1 . 2]" 1
740 1 134 PHE QB 1 135 GLN HB3 . . 4.560 4.335 3.621 4.558 . 0 0 "[ . 1 . 2]" 1
741 1 134 PHE QB 1 135 GLN QG . . 3.410 2.897 2.421 3.125 . 0 0 "[ . 1 . 2]" 1
742 1 134 PHE QB 1 135 GLN HE21 . . 4.500 4.051 3.232 4.393 . 0 0 "[ . 1 . 2]" 1
743 1 134 PHE QB 1 136 GLU H . . 3.630 2.502 2.123 3.628 . 0 0 "[ . 1 . 2]" 1
744 1 136 GLU H 1 136 GLU QG . . 3.230 2.898 2.350 3.210 . 0 0 "[ . 1 . 2]" 1
745 1 136 GLU HA 1 136 GLU QG . . 2.850 2.383 2.119 2.598 . 0 0 "[ . 1 . 2]" 1
746 1 136 GLU QB 1 136 GLU QG . . 2.330 2.040 1.993 2.086 . 0 0 "[ . 1 . 2]" 1
747 1 137 GLU H 1 137 GLU QB . . 2.810 2.382 2.043 2.869 0.059 18 0 "[ . 1 . 2]" 1
748 1 137 GLU H 1 137 GLU QG . . 3.660 2.909 2.094 3.670 0.010 18 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 148
_Distance_constraint_stats_list.Viol_count 51
_Distance_constraint_stats_list.Viol_total 26.878
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0067
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0264
_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 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 THR 0.000 0.000 8 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 5 0 "[ . 1 . 2]"
1 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 5 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 8 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 5 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 5 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 5 0 "[ . 1 . 2]"
1 26 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 5 0 "[ . 1 . 2]"
1 30 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 0.486 0.094 17 0 "[ . 1 . 2]"
1 55 LEU 0.774 0.151 19 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.486 0.094 17 0 "[ . 1 . 2]"
1 59 ILE 0.774 0.151 19 0 "[ . 1 . 2]"
1 70 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PHE 0.001 0.001 12 0 "[ . 1 . 2]"
1 84 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.001 0.001 12 0 "[ . 1 . 2]"
1 88 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASP 0.001 0.001 18 0 "[ . 1 . 2]"
1 111 ARG 0.001 0.001 14 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 18 0 "[ . 1 . 2]"
1 113 PHE 0.035 0.007 17 0 "[ . 1 . 2]"
1 114 LEU 0.045 0.008 17 0 "[ . 1 . 2]"
1 115 TRP 0.001 0.001 14 0 "[ . 1 . 2]"
1 116 ILE 0.000 0.000 13 0 "[ . 1 . 2]"
1 117 PHE 0.035 0.007 17 0 "[ . 1 . 2]"
1 118 VAL 0.044 0.008 17 0 "[ . 1 . 2]"
1 119 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 0.000 0.000 13 0 "[ . 1 . 2]"
1 121 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.001 0.000 18 0 "[ . 1 . 2]"
1 125 THR 0.000 0.000 18 0 "[ . 1 . 2]"
1 126 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 127 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 MET 0.001 0.000 18 0 "[ . 1 . 2]"
1 129 PHE 0.000 0.000 18 0 "[ . 1 . 2]"
1 130 LEU 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 PHE O 1 13 ASN H . . 2.500 2.374 2.036 2.491 . 0 0 "[ . 1 . 2]" 2
2 1 9 PHE O 1 13 ASN N . 2.700 3.500 3.246 2.924 3.379 . 0 0 "[ . 1 . 2]" 2
3 1 10 TYR O 1 14 LEU H . . 2.500 2.465 2.352 2.500 . 0 0 "[ . 1 . 2]" 2
4 1 10 TYR O 1 14 LEU N . 2.700 3.500 3.098 2.972 3.156 . 0 0 "[ . 1 . 2]" 2
5 1 11 THR O 1 15 ILE H . . 2.500 2.456 2.274 2.500 0.000 8 0 "[ . 1 . 2]" 2
6 1 11 THR O 1 15 ILE N . 2.700 3.500 3.182 3.031 3.267 . 0 0 "[ . 1 . 2]" 2
7 1 12 ILE O 1 16 ILE H . . 2.500 2.490 2.443 2.500 0.000 5 0 "[ . 1 . 2]" 2
8 1 12 ILE O 1 16 ILE N . 2.700 3.500 3.373 3.332 3.391 . 0 0 "[ . 1 . 2]" 2
9 1 14 LEU O 1 18 CYS H . . 2.500 2.494 2.473 2.500 0.000 5 0 "[ . 1 . 2]" 2
10 1 14 LEU O 1 18 CYS N . 2.700 3.500 3.359 3.324 3.388 . 0 0 "[ . 1 . 2]" 2
11 1 15 ILE O 1 19 VAL H . . 2.500 2.086 2.003 2.198 . 0 0 "[ . 1 . 2]" 2
12 1 15 ILE O 1 19 VAL N . 2.700 3.500 3.063 2.981 3.171 . 0 0 "[ . 1 . 2]" 2
13 1 16 ILE O 1 20 LEU H . . 2.500 2.318 2.074 2.493 . 0 0 "[ . 1 . 2]" 2
14 1 16 ILE O 1 20 LEU N . 2.700 3.500 3.188 2.936 3.345 . 0 0 "[ . 1 . 2]" 2
15 1 17 PRO O 1 21 ILE H . . 2.500 1.833 1.799 1.920 . 0 0 "[ . 1 . 2]" 2
16 1 17 PRO O 1 21 ILE N . . 3.500 2.774 2.750 2.855 . 0 0 "[ . 1 . 2]" 2
17 1 18 CYS O 1 22 THR H . . 2.500 2.448 2.091 2.500 . 0 0 "[ . 1 . 2]" 2
18 1 18 CYS O 1 22 THR N . 2.700 3.500 3.393 3.029 3.457 . 0 0 "[ . 1 . 2]" 2
19 1 19 VAL O 1 23 SER H . . 2.500 2.155 1.803 2.440 . 0 0 "[ . 1 . 2]" 2
20 1 19 VAL O 1 23 SER N . 2.700 3.500 3.116 2.759 3.401 . 0 0 "[ . 1 . 2]" 2
21 1 20 LEU O 1 24 LEU H . . 2.500 2.247 1.883 2.493 . 0 0 "[ . 1 . 2]" 2
22 1 20 LEU O 1 24 LEU N . 2.700 3.500 3.155 2.757 3.419 . 0 0 "[ . 1 . 2]" 2
23 1 21 ILE O 1 25 ALA H . . 2.500 2.374 2.120 2.497 . 0 0 "[ . 1 . 2]" 2
24 1 21 ILE O 1 25 ALA N . 2.700 3.500 3.268 2.981 3.432 . 0 0 "[ . 1 . 2]" 2
25 1 22 THR O 1 26 ILE H . . 2.500 2.200 1.912 2.461 . 0 0 "[ . 1 . 2]" 2
26 1 22 THR O 1 26 ILE N . 2.700 3.500 3.063 2.809 3.244 . 0 0 "[ . 1 . 2]" 2
27 1 23 SER O 1 27 LEU H . . 2.500 1.882 1.803 2.101 . 0 0 "[ . 1 . 2]" 2
28 1 23 SER O 1 27 LEU N . 2.700 3.500 2.817 2.752 3.024 . 0 0 "[ . 1 . 2]" 2
29 1 24 LEU O 1 28 VAL H . . 2.500 2.336 2.071 2.499 . 0 0 "[ . 1 . 2]" 2
30 1 24 LEU O 1 28 VAL N . 2.700 3.500 3.211 2.961 3.392 . 0 0 "[ . 1 . 2]" 2
31 1 25 ALA O 1 29 PHE H . . 2.500 2.408 2.254 2.500 0.000 5 0 "[ . 1 . 2]" 2
32 1 25 ALA O 1 29 PHE N . 2.700 3.500 3.324 3.155 3.437 . 0 0 "[ . 1 . 2]" 2
33 1 26 ILE O 1 30 TYR H . . 2.500 2.232 1.905 2.495 . 0 0 "[ . 1 . 2]" 2
34 1 26 ILE O 1 30 TYR N . 2.700 3.500 3.045 2.750 3.297 . 0 0 "[ . 1 . 2]" 2
35 1 27 LEU O 1 31 LEU H . . 2.500 2.162 1.895 2.493 . 0 0 "[ . 1 . 2]" 2
36 1 27 LEU O 1 31 LEU N . 2.700 3.500 2.918 2.757 3.233 . 0 0 "[ . 1 . 2]" 2
37 1 36 GLY O 1 40 THR H . . 2.500 2.351 2.066 2.487 . 0 0 "[ . 1 . 2]" 2
38 1 36 GLY O 1 40 THR N . 2.700 3.500 3.292 3.005 3.462 . 0 0 "[ . 1 . 2]" 2
39 1 37 GLU O 1 41 LEU H . . 2.500 2.174 1.804 2.471 . 0 0 "[ . 1 . 2]" 2
40 1 37 GLU O 1 41 LEU N . 2.700 3.500 3.004 2.759 3.230 . 0 0 "[ . 1 . 2]" 2
41 1 38 LYS O 1 42 CYS H . . 2.500 2.318 1.838 2.497 . 0 0 "[ . 1 . 2]" 2
42 1 38 LYS O 1 42 CYS N . 2.700 3.500 3.251 2.787 3.415 . 0 0 "[ . 1 . 2]" 2
43 1 39 MET O 1 43 ILE H . . 2.500 2.370 1.954 2.491 . 0 0 "[ . 1 . 2]" 2
44 1 39 MET O 1 43 ILE N . 2.700 3.500 3.289 2.915 3.415 . 0 0 "[ . 1 . 2]" 2
45 1 40 THR O 1 44 SER H . . 2.500 2.208 1.856 2.476 . 0 0 "[ . 1 . 2]" 2
46 1 40 THR O 1 44 SER N . 2.700 3.500 3.028 2.757 3.375 . 0 0 "[ . 1 . 2]" 2
47 1 41 LEU O 1 45 VAL H . . 2.500 1.906 1.802 2.110 . 0 0 "[ . 1 . 2]" 2
48 1 41 LEU O 1 45 VAL N . 2.700 3.500 2.873 2.779 3.068 . 0 0 "[ . 1 . 2]" 2
49 1 42 CYS O 1 46 LEU H . . 2.500 2.407 2.142 2.493 . 0 0 "[ . 1 . 2]" 2
50 1 42 CYS O 1 46 LEU N . 2.700 3.500 3.260 3.025 3.429 . 0 0 "[ . 1 . 2]" 2
51 1 43 ILE O 1 47 LEU H . . 2.500 2.232 1.921 2.451 . 0 0 "[ . 1 . 2]" 2
52 1 43 ILE O 1 47 LEU N . 2.700 3.500 3.103 2.773 3.321 . 0 0 "[ . 1 . 2]" 2
53 1 44 SER O 1 48 ALA H . . 2.500 2.250 1.911 2.485 . 0 0 "[ . 1 . 2]" 2
54 1 44 SER O 1 48 ALA N . 2.700 3.500 3.188 2.887 3.393 . 0 0 "[ . 1 . 2]" 2
55 1 45 VAL O 1 49 LEU H . . 2.500 2.416 2.040 2.500 . 0 0 "[ . 1 . 2]" 2
56 1 45 VAL O 1 49 LEU N . 2.700 3.500 3.338 2.922 3.450 . 0 0 "[ . 1 . 2]" 2
57 1 46 LEU O 1 50 THR H . . 2.500 2.250 1.893 2.454 . 0 0 "[ . 1 . 2]" 2
58 1 46 LEU O 1 50 THR N . 2.700 3.500 3.129 2.759 3.378 . 0 0 "[ . 1 . 2]" 2
59 1 47 LEU O 1 51 VAL H . . 2.500 2.170 1.888 2.398 . 0 0 "[ . 1 . 2]" 2
60 1 47 LEU O 1 51 VAL N . 2.700 3.500 3.053 2.780 3.271 . 0 0 "[ . 1 . 2]" 2
61 1 48 ALA O 1 52 PHE H . . 2.500 2.335 1.968 2.490 . 0 0 "[ . 1 . 2]" 2
62 1 48 ALA O 1 52 PHE N . 2.700 3.500 3.263 2.922 3.452 . 0 0 "[ . 1 . 2]" 2
63 1 49 LEU O 1 53 LEU H . . 2.500 2.256 1.859 2.492 . 0 0 "[ . 1 . 2]" 2
64 1 49 LEU O 1 53 LEU N . 2.700 3.500 3.170 2.777 3.406 . 0 0 "[ . 1 . 2]" 2
65 1 50 THR O 1 54 LEU H . . 2.500 2.202 1.814 2.467 . 0 0 "[ . 1 . 2]" 2
66 1 50 THR O 1 54 LEU N . 2.700 3.500 3.153 2.759 3.420 . 0 0 "[ . 1 . 2]" 2
67 1 51 VAL O 1 55 LEU H . . 2.500 2.296 1.901 2.484 . 0 0 "[ . 1 . 2]" 2
68 1 51 VAL O 1 55 LEU N . 2.700 3.500 3.165 2.785 3.356 . 0 0 "[ . 1 . 2]" 2
69 1 52 PHE O 1 56 ILE H . . 2.500 2.335 2.067 2.474 . 0 0 "[ . 1 . 2]" 2
70 1 52 PHE O 1 56 ILE N . 2.700 3.500 3.275 3.037 3.409 . 0 0 "[ . 1 . 2]" 2
71 1 53 LEU O 1 57 SER H . . 2.500 1.997 1.883 2.489 . 0 0 "[ . 1 . 2]" 2
72 1 53 LEU O 1 57 SER N . 2.700 3.500 2.842 2.744 3.229 . 0 0 "[ . 1 . 2]" 2
73 1 54 LEU O 1 58 LYS H . . 2.500 2.454 2.082 2.594 0.094 17 0 "[ . 1 . 2]" 2
74 1 54 LEU O 1 58 LYS N . 2.700 3.500 3.284 2.813 3.440 . 0 0 "[ . 1 . 2]" 2
75 1 55 LEU O 1 59 ILE H . . 2.500 2.505 2.214 2.651 0.151 19 0 "[ . 1 . 2]" 2
76 1 55 LEU O 1 59 ILE N . 2.700 3.500 3.378 2.951 3.491 . 0 0 "[ . 1 . 2]" 2
77 1 70 VAL O 1 74 LEU H . . 2.500 2.348 1.876 2.495 . 0 0 "[ . 1 . 2]" 2
78 1 70 VAL O 1 74 LEU N . 2.700 3.500 3.220 2.798 3.370 . 0 0 "[ . 1 . 2]" 2
79 1 71 GLY O 1 75 MET H . . 2.500 2.068 1.832 2.359 . 0 0 "[ . 1 . 2]" 2
80 1 71 GLY O 1 75 MET N . 2.700 3.500 2.944 2.779 3.136 . 0 0 "[ . 1 . 2]" 2
81 1 72 GLU O 1 76 PHE H . . 2.500 2.398 1.969 2.497 . 0 0 "[ . 1 . 2]" 2
82 1 72 GLU O 1 76 PHE N . 2.700 3.500 3.350 2.933 3.462 . 0 0 "[ . 1 . 2]" 2
83 1 73 TYR O 1 77 THR H . . 2.500 2.106 1.801 2.439 . 0 0 "[ . 1 . 2]" 2
84 1 73 TYR O 1 77 THR N . 2.700 3.500 2.934 2.757 3.297 . 0 0 "[ . 1 . 2]" 2
85 1 74 LEU O 1 78 MET H . . 2.500 1.951 1.812 2.146 . 0 0 "[ . 1 . 2]" 2
86 1 74 LEU O 1 78 MET N . 2.700 3.500 2.864 2.750 3.043 . 0 0 "[ . 1 . 2]" 2
87 1 75 MET O 1 79 VAL H . . 2.500 2.365 2.116 2.483 . 0 0 "[ . 1 . 2]" 2
88 1 75 MET O 1 79 VAL N . 2.700 3.500 3.296 3.069 3.424 . 0 0 "[ . 1 . 2]" 2
89 1 76 PHE O 1 80 LEU H . . 2.500 2.326 2.048 2.495 . 0 0 "[ . 1 . 2]" 2
90 1 76 PHE O 1 80 LEU N . 2.700 3.500 3.248 2.956 3.409 . 0 0 "[ . 1 . 2]" 2
91 1 77 THR O 1 81 VAL H . . 2.500 1.937 1.839 2.169 . 0 0 "[ . 1 . 2]" 2
92 1 77 THR O 1 81 VAL N . 2.700 3.500 2.880 2.794 3.128 . 0 0 "[ . 1 . 2]" 2
93 1 78 MET O 1 82 THR H . . 2.500 2.013 1.824 2.210 . 0 0 "[ . 1 . 2]" 2
94 1 78 MET O 1 82 THR N . 2.700 3.500 2.935 2.771 3.153 . 0 0 "[ . 1 . 2]" 2
95 1 79 VAL O 1 83 PHE H . . 2.500 2.407 2.144 2.494 . 0 0 "[ . 1 . 2]" 2
96 1 79 VAL O 1 83 PHE N . 2.700 3.500 3.321 3.079 3.437 . 0 0 "[ . 1 . 2]" 2
97 1 80 LEU O 1 84 SER H . . 2.500 2.243 1.812 2.499 . 0 0 "[ . 1 . 2]" 2
98 1 80 LEU O 1 84 SER N . 2.700 3.500 3.132 2.772 3.429 . 0 0 "[ . 1 . 2]" 2
99 1 81 VAL O 1 85 ILE H . . 2.500 2.166 1.902 2.412 . 0 0 "[ . 1 . 2]" 2
100 1 81 VAL O 1 85 ILE N . 2.700 3.500 3.101 2.881 3.385 . 0 0 "[ . 1 . 2]" 2
101 1 82 THR O 1 86 VAL H . . 2.500 2.264 1.834 2.472 . 0 0 "[ . 1 . 2]" 2
102 1 82 THR O 1 86 VAL N . 2.700 3.500 3.188 2.773 3.442 . 0 0 "[ . 1 . 2]" 2
103 1 83 PHE O 1 87 THR H . . 2.500 2.337 2.020 2.501 0.001 12 0 "[ . 1 . 2]" 2
104 1 83 PHE O 1 87 THR N . 2.700 3.500 3.252 2.961 3.437 . 0 0 "[ . 1 . 2]" 2
105 1 84 SER O 1 88 SER H . . 2.500 2.113 1.910 2.470 . 0 0 "[ . 1 . 2]" 2
106 1 84 SER O 1 88 SER N . 2.700 3.500 2.963 2.768 3.311 . 0 0 "[ . 1 . 2]" 2
107 1 85 ILE O 1 89 VAL H . . 2.500 2.188 1.895 2.480 . 0 0 "[ . 1 . 2]" 2
108 1 85 ILE O 1 89 VAL N . 2.700 3.500 3.132 2.827 3.404 . 0 0 "[ . 1 . 2]" 2
109 1 86 VAL O 1 90 CYS H . . 2.500 2.316 1.991 2.499 . 0 0 "[ . 1 . 2]" 2
110 1 86 VAL O 1 90 CYS N . 2.700 3.500 3.167 2.897 3.370 . 0 0 "[ . 1 . 2]" 2
111 1 87 THR O 1 91 VAL H . . 2.500 2.230 1.829 2.480 . 0 0 "[ . 1 . 2]" 2
112 1 87 THR O 1 91 VAL N . 2.700 3.500 3.099 2.786 3.350 . 0 0 "[ . 1 . 2]" 2
113 1 88 SER O 1 92 LEU H . . 2.500 2.318 1.811 2.491 . 0 0 "[ . 1 . 2]" 2
114 1 88 SER O 1 92 LEU N . 2.700 3.500 3.210 2.757 3.418 . 0 0 "[ . 1 . 2]" 2
115 1 110 ASP O 1 114 LEU H . . 2.500 2.214 1.870 2.501 0.001 18 0 "[ . 1 . 2]" 2
116 1 110 ASP O 1 114 LEU N . 2.700 3.500 3.055 2.762 3.325 . 0 0 "[ . 1 . 2]" 2
117 1 111 ARG O 1 115 TRP H . . 2.500 2.144 1.824 2.501 0.001 14 0 "[ . 1 . 2]" 2
118 1 111 ARG O 1 115 TRP N . 2.700 3.500 3.069 2.756 3.429 . 0 0 "[ . 1 . 2]" 2
119 1 112 LEU O 1 116 ILE H . . 2.500 2.079 1.800 2.495 . 18 0 "[ . 1 . 2]" 2
120 1 112 LEU O 1 116 ILE N . 2.700 3.500 3.046 2.767 3.465 . 0 0 "[ . 1 . 2]" 2
121 1 113 PHE O 1 117 PHE H . . 2.500 2.463 2.257 2.507 0.007 17 0 "[ . 1 . 2]" 2
122 1 113 PHE O 1 117 PHE N . 2.700 3.500 3.175 3.017 3.261 . 0 0 "[ . 1 . 2]" 2
123 1 114 LEU O 1 118 VAL H . . 2.500 2.261 1.904 2.508 0.008 17 0 "[ . 1 . 2]" 2
124 1 114 LEU O 1 118 VAL N . 2.700 3.500 3.170 2.752 3.487 . 0 0 "[ . 1 . 2]" 2
125 1 115 TRP O 1 119 PHE H . . 2.500 2.206 1.935 2.472 . 0 0 "[ . 1 . 2]" 2
126 1 115 TRP O 1 119 PHE N . 2.700 3.500 3.089 2.813 3.397 . 0 0 "[ . 1 . 2]" 2
127 1 116 ILE O 1 120 VAL H . . 2.500 2.419 2.067 2.500 . 13 0 "[ . 1 . 2]" 2
128 1 116 ILE O 1 120 VAL N . 2.700 3.500 3.380 3.039 3.478 . 0 0 "[ . 1 . 2]" 2
129 1 117 PHE O 1 121 CYS H . . 2.500 2.206 1.855 2.498 . 0 0 "[ . 1 . 2]" 2
130 1 117 PHE O 1 121 CYS N . 2.700 3.500 3.046 2.752 3.365 . 0 0 "[ . 1 . 2]" 2
131 1 118 VAL O 1 122 VAL H . . 2.500 2.059 1.811 2.422 . 0 0 "[ . 1 . 2]" 2
132 1 118 VAL O 1 122 VAL N . 2.700 3.500 2.933 2.774 3.217 . 0 0 "[ . 1 . 2]" 2
133 1 119 PHE O 1 123 PHE H . . 2.500 2.122 1.827 2.456 . 0 0 "[ . 1 . 2]" 2
134 1 119 PHE O 1 123 PHE N . 2.700 3.500 3.055 2.761 3.403 . 0 0 "[ . 1 . 2]" 2
135 1 120 VAL O 1 124 GLY H . . 2.500 2.235 1.932 2.500 . 0 0 "[ . 1 . 2]" 2
136 1 120 VAL O 1 124 GLY N . 2.700 3.500 3.079 2.802 3.420 . 0 0 "[ . 1 . 2]" 2
137 1 121 CYS O 1 125 THR H . . 2.500 2.014 1.806 2.498 . 0 0 "[ . 1 . 2]" 2
138 1 121 CYS O 1 125 THR N . 2.700 3.500 2.951 2.752 3.372 . 0 0 "[ . 1 . 2]" 2
139 1 122 VAL O 1 126 ILE H . . 2.500 2.084 1.814 2.432 . 0 0 "[ . 1 . 2]" 2
140 1 122 VAL O 1 126 ILE N . 2.700 3.500 2.980 2.751 3.348 . 0 0 "[ . 1 . 2]" 2
141 1 123 PHE O 1 127 GLY H . . 2.500 2.200 2.006 2.417 . 0 0 "[ . 1 . 2]" 2
142 1 123 PHE O 1 127 GLY N . 2.700 3.500 2.951 2.785 3.185 . 0 0 "[ . 1 . 2]" 2
143 1 124 GLY O 1 128 MET H . . 2.500 2.389 1.945 2.500 0.000 18 0 "[ . 1 . 2]" 2
144 1 124 GLY O 1 128 MET N . 2.700 3.500 3.321 2.898 3.441 . 0 0 "[ . 1 . 2]" 2
145 1 125 THR O 1 129 PHE H . . 2.500 2.058 1.853 2.500 0.000 18 0 "[ . 1 . 2]" 2
146 1 125 THR O 1 129 PHE N . 2.700 3.500 2.915 2.750 3.428 . 0 0 "[ . 1 . 2]" 2
147 1 126 ILE O 1 130 LEU H . . 2.500 2.200 1.880 2.430 . 0 0 "[ . 1 . 2]" 2
148 1 126 ILE O 1 130 LEU N . 2.700 3.500 2.851 2.766 3.026 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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