NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601281 |
2myx   |
25461 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2myx
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 1579
_Distance_constraint_stats_list.Viol_count 3340
_Distance_constraint_stats_list.Viol_total 3386.348
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0171
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0507
_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 GLY 0.021 0.017 15 0 "[ . 1 . 2]"
1 5 PRO 0.021 0.017 15 0 "[ . 1 . 2]"
1 6 GLN 0.208 0.082 3 0 "[ . 1 . 2]"
1 7 GLY 0.208 0.082 3 0 "[ . 1 . 2]"
1 8 SER 0.362 0.085 4 0 "[ . 1 . 2]"
1 9 THR 0.362 0.085 4 0 "[ . 1 . 2]"
1 10 GLN 0.156 0.071 5 0 "[ . 1 . 2]"
1 11 ASN 0.156 0.071 5 0 "[ . 1 . 2]"
1 12 ALA 1.084 0.127 3 0 "[ . 1 . 2]"
1 13 LEU 3.066 0.127 3 0 "[ . 1 . 2]"
1 14 ARG 2.104 0.098 19 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLY 0.634 0.098 20 0 "[ . 1 . 2]"
1 18 ARG 1.405 0.098 20 0 "[ . 1 . 2]"
1 19 VAL 2.053 0.104 20 0 "[ . 1 . 2]"
1 20 ASN 1.659 0.104 20 0 "[ . 1 . 2]"
1 21 GLY 0.286 0.065 4 0 "[ . 1 . 2]"
1 22 GLY 0.733 0.073 19 0 "[ . 1 . 2]"
1 23 HIS 1.995 0.073 19 0 "[ . 1 . 2]"
1 24 PRO 1.893 0.067 7 0 "[ . 1 . 2]"
1 25 VAL 7.987 0.112 10 0 "[ . 1 . 2]"
1 26 THR 3.190 0.112 10 0 "[ . 1 . 2]"
1 27 THR 1.585 0.079 16 0 "[ . 1 . 2]"
1 28 GLN 5.314 0.097 12 0 "[ . 1 . 2]"
1 29 MET 7.257 0.101 5 0 "[ . 1 . 2]"
1 30 VAL 6.772 0.126 8 0 "[ . 1 . 2]"
1 31 GLU 10.595 0.086 18 0 "[ . 1 . 2]"
1 32 THR 7.546 0.099 15 0 "[ . 1 . 2]"
1 33 VAL 7.488 0.126 8 0 "[ . 1 . 2]"
1 34 GLN 11.928 0.090 7 0 "[ . 1 . 2]"
1 35 ASN 6.198 0.108 5 0 "[ . 1 . 2]"
1 36 LEU 6.936 0.108 5 0 "[ . 1 . 2]"
1 37 ALA 4.512 0.092 18 0 "[ . 1 . 2]"
1 38 PRO 1.529 0.077 5 0 "[ . 1 . 2]"
1 39 ASN 3.777 0.076 14 0 "[ . 1 . 2]"
1 40 LEU 11.697 0.090 7 0 "[ . 1 . 2]"
1 41 HIS 8.998 0.080 9 0 "[ . 1 . 2]"
1 42 PRO 3.693 0.070 17 0 "[ . 1 . 2]"
1 43 GLU 7.866 0.096 9 0 "[ . 1 . 2]"
1 44 GLN 9.952 0.088 17 0 "[ . 1 . 2]"
1 45 ILE 6.481 0.096 9 0 "[ . 1 . 2]"
1 46 ARG 8.462 0.081 2 0 "[ . 1 . 2]"
1 47 TYR 4.531 0.076 11 0 "[ . 1 . 2]"
1 48 SER 7.884 0.091 1 0 "[ . 1 . 2]"
1 49 LEU 10.737 0.105 2 0 "[ . 1 . 2]"
1 50 GLU 5.035 0.080 13 0 "[ . 1 . 2]"
1 51 ASN 5.088 0.075 11 0 "[ . 1 . 2]"
1 52 THR 9.802 0.105 2 0 "[ . 1 . 2]"
1 53 GLY 5.315 0.089 15 0 "[ . 1 . 2]"
1 54 SER 4.239 0.084 10 0 "[ . 1 . 2]"
1 55 VAL 6.627 0.099 15 0 "[ . 1 . 2]"
1 56 GLU 5.079 0.089 17 0 "[ . 1 . 2]"
1 57 GLU 5.268 0.084 16 0 "[ . 1 . 2]"
1 58 THR 5.761 0.101 5 0 "[ . 1 . 2]"
1 59 VAL 7.985 0.111 5 0 "[ . 1 . 2]"
1 60 GLU 2.574 0.070 8 0 "[ . 1 . 2]"
1 61 ARG 10.218 0.081 10 0 "[ . 1 . 2]"
1 62 TYR 18.657 0.111 5 0 "[ . 1 . 2]"
1 63 LEU 7.987 0.115 19 0 "[ . 1 . 2]"
1 64 ARG 5.282 0.115 19 0 "[ . 1 . 2]"
1 65 GLY 2.141 0.076 1 0 "[ . 1 . 2]"
1 66 ASP 3.760 0.096 20 0 "[ . 1 . 2]"
1 67 GLU 3.403 0.096 20 0 "[ . 1 . 2]"
1 68 PHE 4.829 0.090 8 0 "[ . 1 . 2]"
1 69 SER 4.247 0.075 6 0 "[ . 1 . 2]"
1 70 PHE 6.594 0.087 11 0 "[ . 1 . 2]"
1 71 PRO 2.427 0.074 6 0 "[ . 1 . 2]"
1 72 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.296 0.069 3 0 "[ . 1 . 2]"
1 74 PHE 3.869 0.089 20 0 "[ . 1 . 2]"
1 75 GLU 1.414 0.089 20 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 52 THR HB 1 58 THR H . . 5.010 3.776 3.525 4.028 . 0 0 "[ . 1 . 2]" 1
2 1 52 THR HB 1 57 GLU HB2 . . 4.450 3.572 3.491 3.662 . 0 0 "[ . 1 . 2]" 1
3 1 58 THR HA 1 61 ARG H . . 4.910 3.671 3.507 3.762 . 0 0 "[ . 1 . 2]" 1
4 1 58 THR HA 1 62 TYR H . . 5.440 4.019 3.826 4.080 . 0 0 "[ . 1 . 2]" 1
5 1 58 THR HA 1 59 VAL HA . . 4.720 4.745 4.679 4.770 0.050 1 0 "[ . 1 . 2]" 1
6 1 26 THR HB 1 27 THR HB . . 4.510 4.230 3.859 4.558 0.048 12 0 "[ . 1 . 2]" 1
7 1 59 VAL HA 1 62 TYR HB3 . . 3.760 2.254 2.139 2.387 . 0 0 "[ . 1 . 2]" 1
8 1 32 THR HA 1 32 THR MG . . 3.310 2.383 2.294 2.566 . 0 0 "[ . 1 . 2]" 1
9 1 30 VAL HA 1 34 GLN H . . 4.940 4.007 3.888 4.157 . 0 0 "[ . 1 . 2]" 1
10 1 55 VAL HA 1 58 THR HB . . 3.770 2.636 2.517 2.776 . 0 0 "[ . 1 . 2]" 1
11 1 55 VAL HA 1 56 GLU HA . . 5.310 4.897 4.844 5.002 . 0 0 "[ . 1 . 2]" 1
12 1 55 VAL HA 1 58 THR HA . . 5.500 5.343 5.219 5.521 0.021 20 0 "[ . 1 . 2]" 1
13 1 33 VAL HA 1 36 LEU HB2 . . 4.060 2.975 2.718 3.079 . 0 0 "[ . 1 . 2]" 1
14 1 55 VAL HA 1 55 VAL MG1 . . 3.750 2.619 2.374 2.742 . 0 0 "[ . 1 . 2]" 1
15 1 55 VAL HA 1 55 VAL MG2 . . 3.750 2.398 2.344 2.461 . 0 0 "[ . 1 . 2]" 1
16 1 42 PRO HA 1 46 ARG H . . 5.270 4.739 4.216 5.260 . 0 0 "[ . 1 . 2]" 1
17 1 42 PRO HA 1 45 ILE H . . 4.290 3.794 3.604 3.997 . 0 0 "[ . 1 . 2]" 1
18 1 42 PRO HA 1 45 ILE HG13 . . 4.530 3.671 3.182 3.941 . 0 0 "[ . 1 . 2]" 1
19 1 42 PRO HA 1 45 ILE MD . . 3.420 2.045 1.940 2.270 . 0 0 "[ . 1 . 2]" 1
20 1 42 PRO HA 1 45 ILE HG12 . . 5.010 4.790 4.458 5.047 0.037 3 0 "[ . 1 . 2]" 1
21 1 45 ILE HA 1 48 SER HB2 . . 4.580 3.337 2.543 4.613 0.033 17 0 "[ . 1 . 2]" 1
22 1 45 ILE HA 1 45 ILE HG13 . . 3.830 2.794 2.707 3.006 . 0 0 "[ . 1 . 2]" 1
23 1 45 ILE HA 1 58 THR MG . . 4.350 3.305 3.069 3.586 . 0 0 "[ . 1 . 2]" 1
24 1 45 ILE HA 1 45 ILE HG12 . . 3.660 2.597 2.458 2.730 . 0 0 "[ . 1 . 2]" 1
25 1 40 LEU MD1 1 45 ILE HA . . 4.490 3.827 3.535 4.314 . 0 0 "[ . 1 . 2]" 1
26 1 27 THR HA 1 31 GLU H . . 4.600 4.312 4.109 4.480 . 0 0 "[ . 1 . 2]" 1
27 1 26 THR HB 1 27 THR HA . . 5.000 4.847 4.736 4.989 . 0 0 "[ . 1 . 2]" 1
28 1 27 THR HA 1 30 VAL HB . . 3.540 3.224 2.931 3.599 0.059 20 0 "[ . 1 . 2]" 1
29 1 27 THR HA 1 27 THR MG . . 3.460 2.376 2.203 2.561 . 0 0 "[ . 1 . 2]" 1
30 1 48 SER HB3 1 68 PHE QD . . 4.430 3.396 2.166 3.847 . 0 0 "[ . 1 . 2]" 1
31 1 45 ILE HA 1 48 SER HB3 . . 4.580 3.797 2.619 4.622 0.042 13 0 "[ . 1 . 2]" 1
32 1 48 SER HB3 1 58 THR MG . . 4.350 2.622 2.104 3.714 . 0 0 "[ . 1 . 2]" 1
33 1 18 ARG HA 1 19 VAL HA . . 4.500 4.458 4.277 4.569 0.069 8 0 "[ . 1 . 2]" 1
34 1 52 THR HA 1 57 GLU QG . . 4.690 3.455 3.032 3.944 . 0 0 "[ . 1 . 2]" 1
35 1 16 THR HA 1 16 THR MG . . 3.430 2.637 2.231 3.301 . 0 0 "[ . 1 . 2]" 1
36 1 48 SER HA 1 50 GLU H . . 5.270 4.262 4.100 4.428 . 0 0 "[ . 1 . 2]" 1
37 1 47 TYR QE 1 71 PRO HA . . 4.420 3.587 3.247 3.930 . 0 0 "[ . 1 . 2]" 1
38 1 71 PRO HA 1 72 PRO HD2 . . 3.560 2.494 2.276 2.651 . 0 0 "[ . 1 . 2]" 1
39 1 71 PRO HA 1 72 PRO HD3 . . 3.560 2.562 2.394 2.734 . 0 0 "[ . 1 . 2]" 1
40 1 56 GLU HA 1 59 VAL HB . . 3.510 2.841 2.490 3.185 . 0 0 "[ . 1 . 2]" 1
41 1 46 ARG HA 1 49 LEU HB2 . . 3.750 2.738 2.520 2.999 . 0 0 "[ . 1 . 2]" 1
42 1 46 ARG HA 1 46 ARG QG . . 3.650 2.602 2.304 2.830 . 0 0 "[ . 1 . 2]" 1
43 1 30 VAL MG1 1 46 ARG HA . . 4.400 3.633 3.361 3.885 . 0 0 "[ . 1 . 2]" 1
44 1 60 GLU HA 1 63 LEU H . . 4.180 3.831 3.669 4.134 . 0 0 "[ . 1 . 2]" 1
45 1 60 GLU HA 1 61 ARG HA . . 4.860 4.677 4.617 4.726 . 0 0 "[ . 1 . 2]" 1
46 1 60 GLU HA 1 60 GLU HG2 . . 4.090 2.557 2.191 3.304 . 0 0 "[ . 1 . 2]" 1
47 1 60 GLU HA 1 63 LEU QD . . 3.860 2.180 2.072 2.331 . 0 0 "[ . 1 . 2]" 1
48 1 61 ARG HA 1 66 ASP QB . . 4.580 3.146 2.900 3.486 . 0 0 "[ . 1 . 2]" 1
49 1 61 ARG HA 1 64 ARG HB3 . . 3.740 2.902 2.310 3.790 0.050 1 0 "[ . 1 . 2]" 1
50 1 28 GLN HA 1 31 GLU HG2 . . 4.010 2.301 2.195 2.655 . 0 0 "[ . 1 . 2]" 1
51 1 29 MET HA 1 32 THR H . . 4.250 3.595 3.355 3.754 . 0 0 "[ . 1 . 2]" 1
52 1 29 MET HA 1 32 THR HB . . 3.700 2.889 2.691 3.094 . 0 0 "[ . 1 . 2]" 1
53 1 29 MET HA 1 29 MET HG2 . . 3.940 2.546 2.180 2.635 . 0 0 "[ . 1 . 2]" 1
54 1 29 MET HA 1 29 MET HG3 . . 3.940 2.963 2.901 3.244 . 0 0 "[ . 1 . 2]" 1
55 1 31 GLU HA 1 31 GLU HG2 . . 4.140 3.738 3.503 3.996 . 0 0 "[ . 1 . 2]" 1
56 1 31 GLU HA 1 34 GLN HG2 . . 4.540 3.844 3.525 4.073 . 0 0 "[ . 1 . 2]" 1
57 1 31 GLU HA 1 34 GLN HB3 . . 3.190 2.286 2.067 2.525 . 0 0 "[ . 1 . 2]" 1
58 1 29 MET HA 1 32 THR MG . . 4.610 4.177 3.958 4.364 . 0 0 "[ . 1 . 2]" 1
59 1 29 MET HA 1 49 LEU MD2 . . 5.330 3.951 3.772 4.207 . 0 0 "[ . 1 . 2]" 1
60 1 43 GLU HA 1 43 GLU QG . . 3.700 2.486 2.084 2.764 . 0 0 "[ . 1 . 2]" 1
61 1 56 GLU HA 1 57 GLU HA . . 5.500 4.780 4.704 4.846 . 0 0 "[ . 1 . 2]" 1
62 1 57 GLU HA 1 58 THR HA . . 5.500 4.851 4.823 4.911 . 0 0 "[ . 1 . 2]" 1
63 1 50 GLU HA 1 50 GLU HG2 . . 4.060 2.341 2.193 2.568 . 0 0 "[ . 1 . 2]" 1
64 1 50 GLU HA 1 50 GLU HG3 . . 4.060 3.139 2.764 3.694 . 0 0 "[ . 1 . 2]" 1
65 1 69 SER HA 1 70 PHE HA . . 4.620 4.457 4.408 4.538 . 0 0 "[ . 1 . 2]" 1
66 1 69 SER HA 1 70 PHE HB2 . . 4.560 4.506 4.402 4.603 0.043 15 0 "[ . 1 . 2]" 1
67 1 57 GLU HA 1 60 GLU HB2 . . 3.990 2.412 2.280 2.514 . 0 0 "[ . 1 . 2]" 1
68 1 44 GLN HA 1 47 TYR HB3 . . 4.500 3.147 2.831 3.412 . 0 0 "[ . 1 . 2]" 1
69 1 44 GLN HA 1 44 GLN HG2 . . 3.930 2.652 2.558 2.781 . 0 0 "[ . 1 . 2]" 1
70 1 44 GLN HA 1 44 GLN HG3 . . 4.180 3.059 2.965 3.158 . 0 0 "[ . 1 . 2]" 1
71 1 34 GLN HA 1 35 ASN HA . . 5.280 4.844 4.782 4.910 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLN HA 1 38 PRO HA . . 5.500 4.055 3.831 4.414 . 0 0 "[ . 1 . 2]" 1
73 1 34 GLN HA 1 34 GLN HG3 . . 4.080 2.987 2.701 3.176 . 0 0 "[ . 1 . 2]" 1
74 1 34 GLN HA 1 45 ILE MD . . 3.250 2.329 2.176 2.599 . 0 0 "[ . 1 . 2]" 1
75 1 8 SER HA 1 9 THR HA . . 4.630 4.539 4.322 4.667 0.037 2 0 "[ . 1 . 2]" 1
76 1 49 LEU HA 1 52 THR H . . 4.360 3.601 3.432 3.819 . 0 0 "[ . 1 . 2]" 1
77 1 49 LEU HA 1 54 SER H . . 4.580 3.909 3.604 4.223 . 0 0 "[ . 1 . 2]" 1
78 1 70 PHE HA 1 71 PRO HD2 . . 3.500 2.569 2.479 2.639 . 0 0 "[ . 1 . 2]" 1
79 1 70 PHE HA 1 71 PRO HD3 . . 3.320 2.366 2.262 2.455 . 0 0 "[ . 1 . 2]" 1
80 1 49 LEU HA 1 49 LEU HG . . 3.930 2.990 2.881 3.123 . 0 0 "[ . 1 . 2]" 1
81 1 49 LEU HA 1 52 THR MG . . 4.260 3.861 3.738 3.935 . 0 0 "[ . 1 . 2]" 1
82 1 25 VAL MG2 1 49 LEU HA . . 5.240 5.228 4.871 5.323 0.083 11 0 "[ . 1 . 2]" 1
83 1 67 GLU HA 1 68 PHE HA . . 4.460 4.426 4.371 4.487 0.027 4 0 "[ . 1 . 2]" 1
84 1 63 LEU HA 1 64 ARG HA . . 4.950 4.676 4.601 4.772 . 0 0 "[ . 1 . 2]" 1
85 1 18 ARG HA 1 18 ARG QD . . 4.230 3.218 2.189 4.281 0.051 20 0 "[ . 1 . 2]" 1
86 1 18 ARG HA 1 18 ARG QG . . 3.800 2.703 2.194 3.560 . 0 0 "[ . 1 . 2]" 1
87 1 18 ARG HA 1 19 VAL QG . . 4.730 3.726 3.103 4.499 . 0 0 "[ . 1 . 2]" 1
88 1 14 ARG HA 1 14 ARG QG . . 4.010 2.632 2.196 3.369 . 0 0 "[ . 1 . 2]" 1
89 1 36 LEU HA 1 37 ALA HA . . 4.630 4.638 4.580 4.682 0.052 20 0 "[ . 1 . 2]" 1
90 1 36 LEU HA 1 36 LEU HG . . 3.820 3.407 3.045 3.602 . 0 0 "[ . 1 . 2]" 1
91 1 66 ASP HA 1 67 GLU H . . 2.890 2.641 2.471 2.851 . 0 0 "[ . 1 . 2]" 1
92 1 65 GLY HA2 1 66 ASP HA . . 4.970 4.763 4.683 4.863 . 0 0 "[ . 1 . 2]" 1
93 1 64 ARG HG2 1 66 ASP HA . . 4.920 4.084 2.989 4.979 0.059 12 0 "[ . 1 . 2]" 1
94 1 66 ASP HA 1 67 GLU QB . . 5.270 4.504 4.201 4.779 . 0 0 "[ . 1 . 2]" 1
95 1 39 ASN HA 1 40 LEU HA . . 4.640 4.643 4.533 4.697 0.057 1 0 "[ . 1 . 2]" 1
96 1 39 ASN QB 1 40 LEU HA . . 4.700 4.410 4.034 4.738 0.038 8 0 "[ . 1 . 2]" 1
97 1 40 LEU HA 1 40 LEU HG . . 4.230 3.083 2.928 3.213 . 0 0 "[ . 1 . 2]" 1
98 1 23 HIS HA 1 24 PRO HD2 . . 3.320 2.527 2.334 2.719 . 0 0 "[ . 1 . 2]" 1
99 1 23 HIS HA 1 24 PRO HD3 . . 3.320 2.386 2.279 2.504 . 0 0 "[ . 1 . 2]" 1
100 1 71 PRO HB2 1 72 PRO HD2 . . 4.330 2.350 2.135 2.649 . 0 0 "[ . 1 . 2]" 1
101 1 71 PRO HB2 1 72 PRO HD3 . . 4.330 3.805 3.644 4.099 . 0 0 "[ . 1 . 2]" 1
102 1 41 HIS HA 1 42 PRO HD3 . . 3.420 2.429 2.276 2.523 . 0 0 "[ . 1 . 2]" 1
103 1 37 ALA HA 1 38 PRO HD3 . . 3.420 3.056 2.892 3.199 . 0 0 "[ . 1 . 2]" 1
104 1 36 LEU HA 1 38 PRO HD3 . . 4.550 3.823 3.590 4.168 . 0 0 "[ . 1 . 2]" 1
105 1 4 GLY HA3 1 5 PRO QD . . 3.570 2.856 2.116 3.587 0.017 15 0 "[ . 1 . 2]" 1
106 1 71 PRO HD2 1 74 PHE HB2 . . 4.160 2.968 2.683 3.387 . 0 0 "[ . 1 . 2]" 1
107 1 70 PHE HB3 1 71 PRO HD2 . . 3.570 2.187 2.092 2.262 . 0 0 "[ . 1 . 2]" 1
108 1 43 GLU HB3 1 71 PRO HD2 . . 4.380 3.102 2.372 3.688 . 0 0 "[ . 1 . 2]" 1
109 1 47 TYR HB3 1 71 PRO HD3 . . 4.480 3.334 3.069 3.644 . 0 0 "[ . 1 . 2]" 1
110 1 70 PHE HB2 1 71 PRO HD3 . . 4.720 4.760 4.698 4.780 0.060 13 0 "[ . 1 . 2]" 1
111 1 70 PHE HB3 1 71 PRO HD3 . . 4.290 3.555 3.498 3.613 . 0 0 "[ . 1 . 2]" 1
112 1 23 HIS HB2 1 53 GLY HA2 . . 4.550 2.337 2.122 2.931 . 0 0 "[ . 1 . 2]" 1
113 1 23 HIS HB3 1 53 GLY HA2 . . 4.550 2.981 2.652 3.450 . 0 0 "[ . 1 . 2]" 1
114 1 23 HIS HB2 1 53 GLY HA3 . . 4.550 3.327 2.557 3.751 . 0 0 "[ . 1 . 2]" 1
115 1 20 ASN HA 1 21 GLY QA . . 4.300 4.094 3.928 4.365 0.065 4 0 "[ . 1 . 2]" 1
116 1 7 GLY QA 1 8 SER HA . . 4.460 4.072 3.991 4.204 . 0 0 "[ . 1 . 2]" 1
117 1 6 GLN HA 1 7 GLY QA . . 4.770 4.088 3.954 4.348 . 0 0 "[ . 1 . 2]" 1
118 1 16 THR HA 1 17 GLY QA . . 5.360 4.115 3.909 4.486 . 0 0 "[ . 1 . 2]" 1
119 1 17 GLY QA 1 18 ARG HA . . 5.320 4.095 3.990 4.556 . 0 0 "[ . 1 . 2]" 1
120 1 6 GLN QB 1 7 GLY QA . . 4.540 4.106 3.576 4.622 0.082 3 0 "[ . 1 . 2]" 1
121 1 17 GLY QA 1 18 ARG HB2 . . 5.500 4.460 3.733 5.484 . 0 0 "[ . 1 . 2]" 1
122 1 17 GLY QA 1 18 ARG HB3 . . 5.500 5.193 4.143 5.575 0.075 16 0 "[ . 1 . 2]" 1
123 1 22 GLY HA3 1 23 HIS HA . . 4.710 4.592 4.464 4.719 0.009 5 0 "[ . 1 . 2]" 1
124 1 4 GLY HA2 1 5 PRO QD . . 3.570 2.489 2.141 3.573 0.003 2 0 "[ . 1 . 2]" 1
125 1 64 ARG QD 1 66 ASP HA . . 5.450 3.777 2.958 5.106 . 0 0 "[ . 1 . 2]" 1
126 1 61 ARG HA 1 64 ARG QD . . 4.360 2.858 1.935 4.419 0.059 9 0 "[ . 1 . 2]" 1
127 1 64 ARG HB3 1 64 ARG QD . . 3.570 2.694 2.184 3.383 . 0 0 "[ . 1 . 2]" 1
128 1 61 ARG HB2 1 61 ARG HD3 . . 3.880 3.836 3.802 3.937 0.057 18 0 "[ . 1 . 2]" 1
129 1 58 THR HA 1 61 ARG HD2 . . 4.110 2.582 2.398 3.262 . 0 0 "[ . 1 . 2]" 1
130 1 57 GLU QG 1 61 ARG HD2 . . 4.580 2.433 2.075 2.902 . 0 0 "[ . 1 . 2]" 1
131 1 61 ARG HB3 1 61 ARG HD2 . . 4.200 2.589 2.321 2.663 . 0 0 "[ . 1 . 2]" 1
132 1 61 ARG HB2 1 61 ARG HD2 . . 4.210 3.433 3.371 3.521 . 0 0 "[ . 1 . 2]" 1
133 1 52 THR MG 1 61 ARG HD2 . . 4.000 2.336 2.164 3.079 . 0 0 "[ . 1 . 2]" 1
134 1 14 ARG H 1 14 ARG QD . . 4.650 3.859 1.959 4.715 0.065 13 0 "[ . 1 . 2]" 1
135 1 14 ARG HA 1 14 ARG QD . . 4.380 3.056 2.039 4.393 0.013 19 0 "[ . 1 . 2]" 1
136 1 17 GLY QA 1 18 ARG QD . . 4.300 3.867 2.882 4.398 0.098 20 0 "[ . 1 . 2]" 1
137 1 36 LEU HB2 1 59 VAL MG2 . . 4.700 2.570 2.373 2.939 . 0 0 "[ . 1 . 2]" 1
138 1 33 VAL HA 1 36 LEU HB3 . . 4.960 4.696 4.430 4.820 . 0 0 "[ . 1 . 2]" 1
139 1 46 ARG HA 1 49 LEU HB3 . . 4.920 4.304 4.074 4.577 . 0 0 "[ . 1 . 2]" 1
140 1 49 LEU HB3 1 58 THR MG . . 5.440 5.097 4.891 5.350 . 0 0 "[ . 1 . 2]" 1
141 1 40 LEU HB2 1 45 ILE MD . . 3.870 2.711 2.428 3.519 . 0 0 "[ . 1 . 2]" 1
142 1 40 LEU HB3 1 45 ILE HA . . 5.340 4.811 4.542 5.311 . 0 0 "[ . 1 . 2]" 1
143 1 40 LEU HB3 1 44 GLN HB3 . . 5.500 4.700 4.252 5.018 . 0 0 "[ . 1 . 2]" 1
144 1 40 LEU HB3 1 45 ILE MD . . 4.200 3.106 2.896 3.822 . 0 0 "[ . 1 . 2]" 1
145 1 63 LEU HB3 1 64 ARG H . . 4.330 4.283 4.135 4.364 0.034 11 0 "[ . 1 . 2]" 1
146 1 60 GLU HA 1 63 LEU HB3 . . 4.790 4.558 4.393 4.723 . 0 0 "[ . 1 . 2]" 1
147 1 60 GLU HA 1 63 LEU HB2 . . 5.310 5.157 4.993 5.356 0.046 20 0 "[ . 1 . 2]" 1
148 1 48 SER HA 1 51 ASN HB2 . . 4.200 2.669 2.321 2.914 . 0 0 "[ . 1 . 2]" 1
149 1 51 ASN HB2 1 52 THR MG . . 4.490 3.142 2.851 3.383 . 0 0 "[ . 1 . 2]" 1
150 1 51 ASN H 1 51 ASN HB3 . . 3.680 3.600 3.557 3.618 . 0 0 "[ . 1 . 2]" 1
151 1 48 SER HA 1 51 ASN HB3 . . 4.830 4.307 3.976 4.594 . 0 0 "[ . 1 . 2]" 1
152 1 51 ASN HB3 1 52 THR HA . . 5.060 4.209 4.091 4.319 . 0 0 "[ . 1 . 2]" 1
153 1 51 ASN HB3 1 52 THR MG . . 4.350 3.566 3.345 3.789 . 0 0 "[ . 1 . 2]" 1
154 1 61 ARG HB3 1 66 ASP QB . . 4.680 3.683 3.414 3.876 . 0 0 "[ . 1 . 2]" 1
155 1 64 ARG HG2 1 66 ASP QB . . 5.500 2.609 2.135 3.397 . 0 0 "[ . 1 . 2]" 1
156 1 61 ARG HB2 1 66 ASP QB . . 3.850 2.210 2.070 2.383 . 0 0 "[ . 1 . 2]" 1
157 1 71 PRO HA 1 74 PHE HB2 . . 5.500 5.264 4.977 5.550 0.050 13 0 "[ . 1 . 2]" 1
158 1 71 PRO HD3 1 74 PHE HB2 . . 4.940 4.577 4.352 4.959 0.019 13 0 "[ . 1 . 2]" 1
159 1 44 GLN HB3 1 68 PHE HB2 . . 5.100 4.281 3.784 4.668 . 0 0 "[ . 1 . 2]" 1
160 1 71 PRO HB2 1 74 PHE HB2 . . 5.450 4.320 3.945 4.611 . 0 0 "[ . 1 . 2]" 1
161 1 71 PRO HD2 1 74 PHE HB3 . . 4.600 3.518 3.208 3.928 . 0 0 "[ . 1 . 2]" 1
162 1 70 PHE HB2 1 74 PHE HB3 . . 4.100 3.395 3.072 3.653 . 0 0 "[ . 1 . 2]" 1
163 1 35 ASN H 1 35 ASN HB3 . . 3.660 3.612 3.564 3.656 . 0 0 "[ . 1 . 2]" 1
164 1 35 ASN HB3 1 36 LEU H . . 4.140 3.501 3.322 3.642 . 0 0 "[ . 1 . 2]" 1
165 1 32 THR HA 1 35 ASN HB3 . . 5.170 4.614 4.220 4.874 . 0 0 "[ . 1 . 2]" 1
166 1 32 THR HA 1 35 ASN HB2 . . 4.260 2.988 2.653 3.219 . 0 0 "[ . 1 . 2]" 1
167 1 70 PHE HB3 1 74 PHE HB2 . . 4.480 3.133 2.831 3.338 . 0 0 "[ . 1 . 2]" 1
168 1 70 PHE HB3 1 74 PHE HB3 . . 4.170 2.476 2.197 2.740 . 0 0 "[ . 1 . 2]" 1
169 1 47 TYR HB2 1 71 PRO HG3 . . 4.140 3.471 2.992 3.850 . 0 0 "[ . 1 . 2]" 1
170 1 47 TYR HB2 1 71 PRO HB3 . . 4.520 2.267 2.164 2.463 . 0 0 "[ . 1 . 2]" 1
171 1 42 PRO HA 1 45 ILE HB . . 3.780 3.135 2.719 3.627 . 0 0 "[ . 1 . 2]" 1
172 1 45 ILE HB 1 45 ILE MD . . 3.650 2.241 2.168 2.334 . 0 0 "[ . 1 . 2]" 1
173 1 43 GLU QG 1 71 PRO HD2 . . 4.660 3.354 2.308 4.674 0.014 6 0 "[ . 1 . 2]" 1
174 1 43 GLU QG 1 71 PRO HG3 . . 3.850 2.443 2.092 3.924 0.074 6 0 "[ . 1 . 2]" 1
175 1 31 GLU H 1 31 GLU HG3 . . 4.310 2.545 2.268 2.703 . 0 0 "[ . 1 . 2]" 1
176 1 28 GLN HA 1 31 GLU HG3 . . 5.190 2.365 2.074 2.662 . 0 0 "[ . 1 . 2]" 1
177 1 31 GLU HA 1 31 GLU HG3 . . 3.940 3.657 3.575 3.757 . 0 0 "[ . 1 . 2]" 1
178 1 31 GLU HG3 1 32 THR HA . . 4.450 4.113 3.890 4.503 0.053 17 0 "[ . 1 . 2]" 1
179 1 57 GLU H 1 57 GLU QG . . 4.180 4.025 3.940 4.090 . 0 0 "[ . 1 . 2]" 1
180 1 52 THR HB 1 57 GLU QG . . 3.370 2.272 1.989 2.464 . 0 0 "[ . 1 . 2]" 1
181 1 57 GLU HB2 1 57 GLU QG . . 2.750 2.386 2.318 2.515 . 0 0 "[ . 1 . 2]" 1
182 1 28 GLN HA 1 28 GLN QG . . 3.530 3.396 3.353 3.532 0.002 17 0 "[ . 1 . 2]" 1
183 1 34 GLN H 1 34 GLN HG3 . . 4.520 4.562 4.529 4.581 0.061 12 0 "[ . 1 . 2]" 1
184 1 34 GLN HG3 1 35 ASN HA . . 4.790 3.884 3.710 4.213 . 0 0 "[ . 1 . 2]" 1
185 1 34 GLN HG3 1 38 PRO HA . . 5.250 3.573 3.196 4.035 . 0 0 "[ . 1 . 2]" 1
186 1 34 GLN HG3 1 45 ILE MD . . 4.160 3.980 3.773 4.107 . 0 0 "[ . 1 . 2]" 1
187 1 34 GLN H 1 34 GLN HG2 . . 4.750 4.644 4.584 4.706 . 0 0 "[ . 1 . 2]" 1
188 1 34 GLN HG2 1 35 ASN HA . . 5.240 5.196 5.048 5.291 0.051 20 0 "[ . 1 . 2]" 1
189 1 34 GLN HA 1 34 GLN HG2 . . 4.100 3.804 3.715 3.885 . 0 0 "[ . 1 . 2]" 1
190 1 34 GLN HG2 1 45 ILE MD . . 4.130 3.798 3.588 4.033 . 0 0 "[ . 1 . 2]" 1
191 1 25 VAL H 1 25 VAL HB . . 3.910 3.875 3.736 3.961 0.051 13 0 "[ . 1 . 2]" 1
192 1 44 GLN HG2 1 70 PHE HA . . 4.700 2.735 2.370 3.400 . 0 0 "[ . 1 . 2]" 1
193 1 41 HIS HB3 1 44 GLN HG3 . . 4.260 2.142 2.054 2.264 . 0 0 "[ . 1 . 2]" 1
194 1 41 HIS HB3 1 70 PHE QE . . 5.020 3.407 2.998 4.014 . 0 0 "[ . 1 . 2]" 1
195 1 55 VAL HB 1 56 GLU H . . 4.170 2.442 2.265 2.696 . 0 0 "[ . 1 . 2]" 1
196 1 59 VAL HB 1 60 GLU H . . 3.890 2.844 2.717 2.930 . 0 0 "[ . 1 . 2]" 1
197 1 44 GLN HB2 1 68 PHE HB3 . . 4.720 3.935 3.488 4.181 . 0 0 "[ . 1 . 2]" 1
198 1 40 LEU HB3 1 44 GLN HB2 . . 4.690 3.582 3.115 3.943 . 0 0 "[ . 1 . 2]" 1
199 1 33 VAL HB 1 34 GLN H . . 4.110 2.476 2.302 2.562 . 0 0 "[ . 1 . 2]" 1
200 1 66 ASP QB 1 67 GLU QB . . 4.600 4.587 4.320 4.696 0.096 20 0 "[ . 1 . 2]" 1
201 1 64 ARG H 1 64 ARG HB2 . . 4.150 3.584 3.381 3.822 . 0 0 "[ . 1 . 2]" 1
202 1 64 ARG HB2 1 64 ARG HE . . 4.380 3.174 2.538 4.142 . 0 0 "[ . 1 . 2]" 1
203 1 64 ARG HB2 1 64 ARG QD . . 3.680 2.676 2.092 3.232 . 0 0 "[ . 1 . 2]" 1
204 1 23 HIS HB3 1 53 GLY HA3 . . 4.550 3.630 2.929 4.144 . 0 0 "[ . 1 . 2]" 1
205 1 40 LEU HB3 1 45 ILE HG13 . . 4.110 2.694 2.457 3.329 . 0 0 "[ . 1 . 2]" 1
206 1 40 LEU MD1 1 45 ILE HG13 . . 4.250 3.211 2.819 3.761 . 0 0 "[ . 1 . 2]" 1
207 1 40 LEU HB3 1 45 ILE HG12 . . 5.180 3.416 3.243 3.744 . 0 0 "[ . 1 . 2]" 1
208 1 40 LEU MD1 1 45 ILE HG12 . . 4.240 2.753 2.525 3.139 . 0 0 "[ . 1 . 2]" 1
209 1 60 GLU HB3 1 61 ARG H . . 4.260 3.567 3.353 3.742 . 0 0 "[ . 1 . 2]" 1
210 1 57 GLU HA 1 60 GLU HB3 . . 3.990 3.984 3.769 4.052 0.062 15 0 "[ . 1 . 2]" 1
211 1 43 GLU HB3 1 71 PRO HD3 . . 4.670 3.499 2.815 4.067 . 0 0 "[ . 1 . 2]" 1
212 1 34 GLN HB3 1 45 ILE MD . . 4.200 3.479 3.332 3.754 . 0 0 "[ . 1 . 2]" 1
213 1 60 GLU HB2 1 61 ARG H . . 4.260 2.871 2.643 3.092 . 0 0 "[ . 1 . 2]" 1
214 1 28 GLN HA 1 31 GLU QB . . 4.020 4.089 4.066 4.099 0.079 13 0 "[ . 1 . 2]" 1
215 1 42 PRO HD2 1 43 GLU HB2 . . 4.200 4.262 4.250 4.270 0.070 17 0 "[ . 1 . 2]" 1
216 1 43 GLU HB2 1 71 PRO HD2 . . 5.240 4.702 3.934 5.114 . 0 0 "[ . 1 . 2]" 1
217 1 43 GLU HB2 1 71 PRO HD3 . . 5.360 5.083 4.249 5.413 0.053 4 0 "[ . 1 . 2]" 1
218 1 49 LEU H 1 49 LEU MD2 . . 4.450 3.456 3.260 3.580 . 0 0 "[ . 1 . 2]" 1
219 1 29 MET HB3 1 49 LEU MD2 . . 4.790 2.333 2.203 2.549 . 0 0 "[ . 1 . 2]" 1
220 1 49 LEU MD2 1 58 THR MG . . 4.490 2.710 2.607 2.873 . 0 0 "[ . 1 . 2]" 1
221 1 49 LEU HB3 1 49 LEU MD2 . . 3.470 2.265 2.211 2.339 . 0 0 "[ . 1 . 2]" 1
222 1 33 VAL MG1 1 49 LEU MD2 . . 4.770 3.747 3.675 3.835 . 0 0 "[ . 1 . 2]" 1
223 1 33 VAL MG2 1 49 LEU MD2 . . 4.770 1.905 1.860 2.050 . 0 0 "[ . 1 . 2]" 1
224 1 71 PRO HG2 1 74 PHE HB2 . . 4.200 2.559 2.324 2.732 . 0 0 "[ . 1 . 2]" 1
225 1 28 GLN HB2 1 29 MET H . . 4.290 3.972 3.620 4.135 . 0 0 "[ . 1 . 2]" 1
226 1 43 GLU HA 1 71 PRO HG3 . . 4.930 3.866 3.241 4.205 . 0 0 "[ . 1 . 2]" 1
227 1 70 PHE HA 1 71 PRO HG3 . . 4.740 4.606 4.462 4.694 . 0 0 "[ . 1 . 2]" 1
228 1 71 PRO HG3 1 74 PHE HB2 . . 4.340 4.229 4.016 4.392 0.052 13 0 "[ . 1 . 2]" 1
229 1 49 LEU HG 1 58 THR MG . . 4.270 2.864 2.680 3.172 . 0 0 "[ . 1 . 2]" 1
230 1 33 VAL MG1 1 49 LEU HG . . 5.500 4.270 4.069 4.511 . 0 0 "[ . 1 . 2]" 1
231 1 45 ILE MG 1 49 LEU HG . . 4.290 2.533 2.308 2.674 . 0 0 "[ . 1 . 2]" 1
232 1 36 LEU H 1 36 LEU HG . . 3.950 2.370 2.096 2.540 . 0 0 "[ . 1 . 2]" 1
233 1 60 GLU HA 1 63 LEU HG . . 3.820 2.373 2.199 2.596 . 0 0 "[ . 1 . 2]" 1
234 1 61 ARG HA 1 63 LEU HG . . 5.120 4.612 4.365 4.789 . 0 0 "[ . 1 . 2]" 1
235 1 36 LEU H 1 36 LEU MD2 . . 4.350 2.965 2.625 3.391 . 0 0 "[ . 1 . 2]" 1
236 1 36 LEU HB3 1 36 LEU MD2 . . 3.550 2.620 2.372 2.748 . 0 0 "[ . 1 . 2]" 1
237 1 32 THR MG 1 36 LEU MD2 . . 3.680 3.606 3.330 3.767 0.087 8 0 "[ . 1 . 2]" 1
238 1 59 VAL MG1 1 60 GLU H . . 4.620 3.567 3.323 3.782 . 0 0 "[ . 1 . 2]" 1
239 1 58 THR HB 1 59 VAL MG1 . . 5.500 5.541 5.431 5.585 0.085 5 0 "[ . 1 . 2]" 1
240 1 59 VAL HA 1 59 VAL MG1 . . 3.320 2.475 2.369 2.577 . 0 0 "[ . 1 . 2]" 1
241 1 33 VAL HA 1 59 VAL MG1 . . 4.980 4.344 3.977 4.876 . 0 0 "[ . 1 . 2]" 1
242 1 36 LEU HB2 1 59 VAL MG1 . . 4.700 3.055 2.436 3.590 . 0 0 "[ . 1 . 2]" 1
243 1 36 LEU HB3 1 59 VAL MG1 . . 3.950 2.891 2.378 3.319 . 0 0 "[ . 1 . 2]" 1
244 1 37 ALA MB 1 59 VAL MG1 . . 4.610 3.747 2.998 4.344 . 0 0 "[ . 1 . 2]" 1
245 1 40 LEU HA 1 40 LEU MD1 . . 4.690 3.832 3.798 3.868 . 0 0 "[ . 1 . 2]" 1
246 1 40 LEU MD1 1 62 TYR HB3 . . 4.360 3.673 3.456 3.867 . 0 0 "[ . 1 . 2]" 1
247 1 40 LEU MD1 1 62 TYR HB2 . . 4.290 2.326 2.194 2.492 . 0 0 "[ . 1 . 2]" 1
248 1 40 LEU HB2 1 40 LEU MD1 . . 3.610 2.334 2.262 2.384 . 0 0 "[ . 1 . 2]" 1
249 1 37 ALA MB 1 40 LEU MD1 . . 3.220 2.196 2.102 2.427 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU MD1 1 14 ARG QB . . 4.890 4.173 2.530 4.978 0.088 4 0 "[ . 1 . 2]" 1
251 1 33 VAL MG1 1 34 GLN HB2 . . 5.500 4.541 4.102 4.915 . 0 0 "[ . 1 . 2]" 1
252 1 33 VAL MG1 1 45 ILE HG13 . . 5.500 3.737 3.410 4.315 . 0 0 "[ . 1 . 2]" 1
253 1 33 VAL MG1 1 58 THR MG . . 3.250 2.089 1.917 2.326 . 0 0 "[ . 1 . 2]" 1
254 1 33 VAL MG1 1 45 ILE MG . . 3.100 2.392 2.175 2.585 . 0 0 "[ . 1 . 2]" 1
255 1 33 VAL MG1 1 49 LEU MD1 . . 4.770 4.323 4.072 4.859 0.089 8 0 "[ . 1 . 2]" 1
256 1 25 VAL HA 1 25 VAL MG1 . . 3.390 2.441 2.247 2.560 . 0 0 "[ . 1 . 2]" 1
257 1 25 VAL MG1 1 49 LEU HA . . 5.240 3.689 3.577 3.808 . 0 0 "[ . 1 . 2]" 1
258 1 25 VAL MG1 1 46 ARG HA . . 4.360 4.222 3.827 4.428 0.068 4 0 "[ . 1 . 2]" 1
259 1 25 VAL MG1 1 29 MET ME . . 4.810 2.258 2.119 2.531 . 0 0 "[ . 1 . 2]" 1
260 1 25 VAL MG1 1 49 LEU HB2 . . 3.400 2.359 2.088 2.552 . 0 0 "[ . 1 . 2]" 1
261 1 25 VAL MG1 1 49 LEU HG . . 4.930 4.475 4.273 4.573 . 0 0 "[ . 1 . 2]" 1
262 1 25 VAL MG1 1 46 ARG QG . . 4.460 4.167 3.843 4.534 0.074 7 0 "[ . 1 . 2]" 1
263 1 25 VAL MG1 1 49 LEU HB3 . . 3.640 2.110 2.065 2.184 . 0 0 "[ . 1 . 2]" 1
264 1 13 LEU MD2 1 14 ARG QB . . 4.890 4.200 2.569 4.988 0.098 19 0 "[ . 1 . 2]" 1
265 1 27 THR HA 1 30 VAL MG1 . . 4.700 4.378 4.069 4.742 0.042 14 0 "[ . 1 . 2]" 1
266 1 30 VAL HA 1 30 VAL MG1 . . 3.280 2.362 2.295 2.438 . 0 0 "[ . 1 . 2]" 1
267 1 36 LEU HB3 1 36 LEU MD1 . . 3.550 2.331 2.210 2.555 . 0 0 "[ . 1 . 2]" 1
268 1 32 THR MG 1 36 LEU MD1 . . 3.680 2.719 2.144 3.069 . 0 0 "[ . 1 . 2]" 1
269 1 32 THR HB 1 55 VAL MG1 . . 4.140 2.320 2.151 2.534 . 0 0 "[ . 1 . 2]" 1
270 1 29 MET HA 1 49 LEU MD1 . . 5.330 3.771 3.696 3.831 . 0 0 "[ . 1 . 2]" 1
271 1 29 MET HB2 1 49 LEU MD1 . . 4.790 2.262 2.149 2.383 . 0 0 "[ . 1 . 2]" 1
272 1 29 MET HB3 1 49 LEU MD1 . . 4.790 2.201 2.105 2.278 . 0 0 "[ . 1 . 2]" 1
273 1 49 LEU HB3 1 49 LEU MD1 . . 3.470 2.388 2.184 2.485 . 0 0 "[ . 1 . 2]" 1
274 1 45 ILE MG 1 49 LEU MD1 . . 3.140 2.054 1.960 2.713 . 0 0 "[ . 1 . 2]" 1
275 1 33 VAL MG2 1 49 LEU MD1 . . 4.770 2.859 2.721 3.484 . 0 0 "[ . 1 . 2]" 1
276 1 40 LEU HA 1 40 LEU MD2 . . 3.070 2.105 2.065 2.144 . 0 0 "[ . 1 . 2]" 1
277 1 40 LEU MD2 1 68 PHE HB2 . . 3.750 3.065 2.535 3.306 . 0 0 "[ . 1 . 2]" 1
278 1 40 LEU MD2 1 62 TYR HB2 . . 4.470 3.903 3.653 4.133 . 0 0 "[ . 1 . 2]" 1
279 1 40 LEU MD2 1 44 GLN HB2 . . 4.180 3.830 3.416 4.222 0.042 12 0 "[ . 1 . 2]" 1
280 1 40 LEU MD2 1 44 GLN HB3 . . 4.380 4.054 3.623 4.333 . 0 0 "[ . 1 . 2]" 1
281 1 40 LEU MD2 1 44 GLN HG2 . . 5.500 5.287 4.782 5.568 0.068 16 0 "[ . 1 . 2]" 1
282 1 40 LEU HB3 1 40 LEU MD2 . . 3.490 2.478 2.408 2.545 . 0 0 "[ . 1 . 2]" 1
283 1 37 ALA MB 1 40 LEU MD2 . . 4.260 3.827 3.683 3.985 . 0 0 "[ . 1 . 2]" 1
284 1 27 THR MG 1 31 GLU HG2 . . 3.880 3.151 2.764 3.527 . 0 0 "[ . 1 . 2]" 1
285 1 25 VAL MG2 1 26 THR H . . 4.460 3.416 3.295 3.835 . 0 0 "[ . 1 . 2]" 1
286 1 25 VAL HA 1 25 VAL MG2 . . 3.390 3.263 3.219 3.283 . 0 0 "[ . 1 . 2]" 1
287 1 25 VAL MG2 1 46 ARG HA . . 4.360 3.015 2.669 3.242 . 0 0 "[ . 1 . 2]" 1
288 1 25 VAL MG2 1 49 LEU HB2 . . 3.400 2.787 2.306 2.919 . 0 0 "[ . 1 . 2]" 1
289 1 25 VAL MG2 1 49 LEU HG . . 4.930 4.885 4.297 5.006 0.076 15 0 "[ . 1 . 2]" 1
290 1 25 VAL MG2 1 46 ARG QG . . 4.460 2.401 2.180 2.954 . 0 0 "[ . 1 . 2]" 1
291 1 25 VAL MG2 1 49 LEU HB3 . . 3.640 3.471 3.031 3.689 0.049 10 0 "[ . 1 . 2]" 1
292 1 33 VAL MG2 1 34 GLN H . . 4.340 3.820 3.735 3.899 . 0 0 "[ . 1 . 2]" 1
293 1 33 VAL MG2 1 68 PHE QE . . 5.500 4.770 4.386 5.002 . 0 0 "[ . 1 . 2]" 1
294 1 33 VAL MG2 1 34 GLN HB2 . . 5.500 5.553 5.477 5.580 0.080 11 0 "[ . 1 . 2]" 1
295 1 33 VAL MG2 1 49 LEU HG . . 5.500 3.057 2.900 3.262 . 0 0 "[ . 1 . 2]" 1
296 1 33 VAL MG2 1 45 ILE HG13 . . 5.500 5.385 5.167 5.545 0.045 6 0 "[ . 1 . 2]" 1
297 1 33 VAL MG2 1 45 ILE MG . . 3.100 2.424 2.249 2.531 . 0 0 "[ . 1 . 2]" 1
298 1 63 LEU H 1 63 LEU QD . . 4.060 3.018 2.972 3.065 . 0 0 "[ . 1 . 2]" 1
299 1 62 TYR QD 1 63 LEU QD . . 3.640 3.681 3.522 3.747 0.107 20 0 "[ . 1 . 2]" 1
300 1 63 LEU HA 1 63 LEU QD . . 3.440 3.461 3.420 3.485 0.045 16 0 "[ . 1 . 2]" 1
301 1 63 LEU QD 1 64 ARG QD . . 4.740 4.586 3.985 4.855 0.115 19 0 "[ . 1 . 2]" 1
302 1 63 LEU QD 1 64 ARG HB3 . . 3.030 2.780 2.414 3.106 0.076 4 0 "[ . 1 . 2]" 1
303 1 63 LEU QD 1 64 ARG HB2 . . 4.540 3.453 2.939 3.916 . 0 0 "[ . 1 . 2]" 1
304 1 26 THR H 1 26 THR MG . . 3.440 3.211 2.770 3.438 . 0 0 "[ . 1 . 2]" 1
305 1 26 THR HA 1 26 THR MG . . 3.610 2.254 2.166 2.339 . 0 0 "[ . 1 . 2]" 1
306 1 25 VAL HA 1 26 THR MG . . 4.460 3.797 3.469 4.059 . 0 0 "[ . 1 . 2]" 1
307 1 26 THR MG 1 28 GLN QG . . 4.310 3.904 3.699 4.391 0.081 7 0 "[ . 1 . 2]" 1
308 1 27 THR MG 1 30 VAL HB . . 5.260 3.551 2.682 4.131 . 0 0 "[ . 1 . 2]" 1
309 1 24 PRO HB2 1 26 THR MG . . 5.130 4.560 4.267 4.777 . 0 0 "[ . 1 . 2]" 1
310 1 32 THR MG 1 56 GLU H . . 5.240 5.314 5.268 5.329 0.089 17 0 "[ . 1 . 2]" 1
311 1 9 THR H 1 9 THR MG . . 4.090 2.536 1.845 3.196 . 0 0 "[ . 1 . 2]" 1
312 1 8 SER HA 1 9 THR MG . . 4.500 3.952 3.415 4.585 0.085 4 0 "[ . 1 . 2]" 1
313 1 32 THR MG 1 33 VAL HA . . 3.960 3.563 3.427 3.806 . 0 0 "[ . 1 . 2]" 1
314 1 32 THR MG 1 35 ASN HB2 . . 4.470 4.073 3.879 4.260 . 0 0 "[ . 1 . 2]" 1
315 1 32 THR MG 1 55 VAL HB . . 4.000 3.707 3.372 3.907 . 0 0 "[ . 1 . 2]" 1
316 1 32 THR MG 1 36 LEU HG . . 3.900 3.041 2.816 3.382 . 0 0 "[ . 1 . 2]" 1
317 1 49 LEU H 1 58 THR MG . . 4.530 3.525 3.309 3.875 . 0 0 "[ . 1 . 2]" 1
318 1 58 THR HA 1 58 THR MG . . 3.620 2.321 2.256 2.402 . 0 0 "[ . 1 . 2]" 1
319 1 58 THR MG 1 59 VAL HA . . 4.190 3.872 3.552 3.946 . 0 0 "[ . 1 . 2]" 1
320 1 29 MET ME 1 58 THR MG . . 5.500 5.562 5.425 5.601 0.101 5 0 "[ . 1 . 2]" 1
321 1 58 THR MG 1 59 VAL HB . . 5.500 5.393 5.249 5.542 0.042 13 0 "[ . 1 . 2]" 1
322 1 33 VAL HB 1 58 THR MG . . 4.360 3.818 3.652 4.132 . 0 0 "[ . 1 . 2]" 1
323 1 58 THR MG 1 61 ARG HG3 . . 4.250 3.900 3.537 4.069 . 0 0 "[ . 1 . 2]" 1
324 1 49 LEU MD1 1 58 THR MG . . 4.490 3.992 3.816 4.408 . 0 0 "[ . 1 . 2]" 1
325 1 33 VAL MG2 1 58 THR MG . . 3.250 2.228 2.074 2.405 . 0 0 "[ . 1 . 2]" 1
326 1 52 THR HA 1 52 THR MG . . 3.170 2.487 2.442 2.588 . 0 0 "[ . 1 . 2]" 1
327 1 52 THR MG 1 58 THR HA . . 4.060 2.680 2.409 3.053 . 0 0 "[ . 1 . 2]" 1
328 1 52 THR MG 1 61 ARG HD3 . . 4.560 2.327 2.033 2.593 . 0 0 "[ . 1 . 2]" 1
329 1 52 THR MG 1 57 GLU QG . . 3.480 2.413 2.186 2.900 . 0 0 "[ . 1 . 2]" 1
330 1 52 THR MG 1 61 ARG HG2 . . 4.110 3.923 3.815 4.081 . 0 0 "[ . 1 . 2]" 1
331 1 49 LEU HG 1 52 THR MG . . 5.500 5.496 5.342 5.574 0.074 1 0 "[ . 1 . 2]" 1
332 1 52 THR MG 1 61 ARG HB2 . . 5.500 4.998 4.842 5.183 . 0 0 "[ . 1 . 2]" 1
333 1 52 THR MG 1 57 GLU HB3 . . 4.060 3.370 3.170 3.550 . 0 0 "[ . 1 . 2]" 1
334 1 52 THR MG 1 58 THR MG . . 3.660 3.287 2.954 3.755 0.095 10 0 "[ . 1 . 2]" 1
335 1 55 VAL H 1 55 VAL MG2 . . 4.240 2.196 1.971 2.422 . 0 0 "[ . 1 . 2]" 1
336 1 32 THR HB 1 55 VAL MG2 . . 4.140 2.686 2.416 3.100 . 0 0 "[ . 1 . 2]" 1
337 1 32 THR MG 1 55 VAL MG2 . . 3.160 3.154 2.993 3.259 0.099 15 0 "[ . 1 . 2]" 1
338 1 30 VAL MG2 1 31 GLU H . . 4.110 3.651 3.529 3.743 . 0 0 "[ . 1 . 2]" 1
339 1 27 THR HA 1 30 VAL MG2 . . 4.700 2.501 2.093 2.784 . 0 0 "[ . 1 . 2]" 1
340 1 30 VAL MG2 1 46 ARG HA . . 4.400 2.502 2.302 2.629 . 0 0 "[ . 1 . 2]" 1
341 1 30 VAL HA 1 30 VAL MG2 . . 3.280 2.555 2.512 2.591 . 0 0 "[ . 1 . 2]" 1
342 1 30 VAL MG2 1 31 GLU HG2 . . 5.500 4.989 4.678 5.433 . 0 0 "[ . 1 . 2]" 1
343 1 33 VAL H 1 45 ILE MG . . 4.380 3.681 3.514 3.780 . 0 0 "[ . 1 . 2]" 1
344 1 42 PRO HA 1 45 ILE MG . . 5.010 4.264 3.933 4.702 . 0 0 "[ . 1 . 2]" 1
345 1 45 ILE MG 1 46 ARG HA . . 4.360 3.231 3.146 3.505 . 0 0 "[ . 1 . 2]" 1
346 1 34 GLN HA 1 45 ILE MG . . 4.710 4.329 4.178 4.611 . 0 0 "[ . 1 . 2]" 1
347 1 30 VAL HA 1 45 ILE MG . . 3.020 1.929 1.884 1.966 . 0 0 "[ . 1 . 2]" 1
348 1 30 VAL HB 1 45 ILE MG . . 4.260 4.079 3.954 4.263 0.003 7 0 "[ . 1 . 2]" 1
349 1 33 VAL HB 1 45 ILE MG . . 3.060 1.996 1.956 2.109 . 0 0 "[ . 1 . 2]" 1
350 1 45 ILE MG 1 58 THR MG . . 3.730 2.866 2.652 3.202 . 0 0 "[ . 1 . 2]" 1
351 1 45 ILE MG 1 49 LEU MD2 . . 3.140 3.067 2.865 3.230 0.090 8 0 "[ . 1 . 2]" 1
352 1 45 ILE MD 1 45 ILE MG . . 2.900 2.078 2.041 2.144 . 0 0 "[ . 1 . 2]" 1
353 1 45 ILE HG12 1 45 ILE MG . . 3.610 2.328 2.251 2.409 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLN HA 1 37 ALA MB . . 4.320 3.273 3.130 3.594 . 0 0 "[ . 1 . 2]" 1
355 1 33 VAL HA 1 37 ALA MB . . 5.330 3.888 3.758 4.116 . 0 0 "[ . 1 . 2]" 1
356 1 37 ALA MB 1 39 ASN QB . . 5.300 3.993 3.489 4.400 . 0 0 "[ . 1 . 2]" 1
357 1 37 ALA MB 1 40 LEU HB2 . . 4.220 2.873 2.574 3.103 . 0 0 "[ . 1 . 2]" 1
358 1 37 ALA MB 1 40 LEU HG . . 3.750 2.457 2.235 2.689 . 0 0 "[ . 1 . 2]" 1
359 1 37 ALA MB 1 40 LEU HB3 . . 4.180 4.074 3.839 4.254 0.074 2 0 "[ . 1 . 2]" 1
360 1 37 ALA MB 1 45 ILE HG12 . . 4.900 4.085 3.841 4.484 . 0 0 "[ . 1 . 2]" 1
361 1 26 THR H 1 29 MET ME . . 4.110 3.872 2.941 4.152 0.042 19 0 "[ . 1 . 2]" 1
362 1 29 MET ME 1 54 SER HA . . 4.240 2.645 2.193 3.248 . 0 0 "[ . 1 . 2]" 1
363 1 25 VAL HA 1 29 MET ME . . 3.680 3.231 2.304 3.555 . 0 0 "[ . 1 . 2]" 1
364 1 29 MET HA 1 29 MET ME . . 4.440 4.107 3.989 4.239 . 0 0 "[ . 1 . 2]" 1
365 1 29 MET ME 1 53 GLY HA2 . . 4.680 3.646 3.247 3.817 . 0 0 "[ . 1 . 2]" 1
366 1 29 MET ME 1 55 VAL HA . . 4.080 3.944 3.582 4.141 0.061 17 0 "[ . 1 . 2]" 1
367 1 29 MET ME 1 53 GLY HA3 . . 4.680 4.680 4.297 4.769 0.089 15 0 "[ . 1 . 2]" 1
368 1 23 HIS HB2 1 29 MET ME . . 5.500 4.885 4.589 5.195 . 0 0 "[ . 1 . 2]" 1
369 1 23 HIS HB3 1 29 MET ME . . 5.500 4.863 4.526 5.302 . 0 0 "[ . 1 . 2]" 1
370 1 29 MET ME 1 29 MET HG2 . . 3.690 2.537 2.407 3.420 . 0 0 "[ . 1 . 2]" 1
371 1 29 MET ME 1 29 MET HG3 . . 3.690 3.413 2.941 3.483 . 0 0 "[ . 1 . 2]" 1
372 1 25 VAL HB 1 29 MET ME . . 4.140 3.053 2.367 3.499 . 0 0 "[ . 1 . 2]" 1
373 1 29 MET ME 1 49 LEU HB2 . . 4.650 3.851 3.607 4.028 . 0 0 "[ . 1 . 2]" 1
374 1 29 MET ME 1 55 VAL HB . . 4.780 4.259 3.999 4.849 0.069 17 0 "[ . 1 . 2]" 1
375 1 29 MET ME 1 49 LEU HG . . 4.480 4.445 4.168 4.554 0.074 11 0 "[ . 1 . 2]" 1
376 1 29 MET ME 1 49 LEU HB3 . . 3.420 2.333 2.125 2.494 . 0 0 "[ . 1 . 2]" 1
377 1 25 VAL MG2 1 29 MET ME . . 4.810 4.130 3.606 4.469 . 0 0 "[ . 1 . 2]" 1
378 1 29 MET ME 1 49 LEU MD1 . . 3.610 2.949 2.315 3.281 . 0 0 "[ . 1 . 2]" 1
379 1 29 MET ME 1 49 LEU MD2 . . 3.610 2.113 2.035 2.296 . 0 0 "[ . 1 . 2]" 1
380 1 40 LEU H 1 45 ILE MD . . 5.290 4.263 4.071 4.822 . 0 0 "[ . 1 . 2]" 1
381 1 30 VAL HA 1 45 ILE MD . . 4.210 3.804 3.419 3.961 . 0 0 "[ . 1 . 2]" 1
382 1 45 ILE HA 1 45 ILE MD . . 4.610 3.840 3.751 3.909 . 0 0 "[ . 1 . 2]" 1
383 1 42 PRO QB 1 45 ILE MD . . 4.630 3.523 3.335 3.800 . 0 0 "[ . 1 . 2]" 1
384 1 33 VAL HB 1 45 ILE MD . . 4.320 2.779 2.440 3.038 . 0 0 "[ . 1 . 2]" 1
385 1 34 GLN HB2 1 45 ILE MD . . 3.340 2.115 2.004 2.382 . 0 0 "[ . 1 . 2]" 1
386 1 37 ALA MB 1 45 ILE MD . . 4.170 3.595 3.195 4.156 . 0 0 "[ . 1 . 2]" 1
387 1 40 LEU MD1 1 45 ILE MD . . 3.900 3.363 3.031 3.884 . 0 0 "[ . 1 . 2]" 1
388 1 47 TYR HA 1 50 GLU HB2 . . 3.930 2.705 2.466 2.915 . 0 0 "[ . 1 . 2]" 1
389 1 46 ARG QB 1 47 TYR HA . . 5.270 4.537 4.198 4.745 . 0 0 "[ . 1 . 2]" 1
390 1 47 TYR HA 1 71 PRO HB3 . . 5.500 3.611 3.317 4.004 . 0 0 "[ . 1 . 2]" 1
391 1 35 ASN HB3 1 36 LEU HG . . 4.950 4.191 3.610 4.780 . 0 0 "[ . 1 . 2]" 1
392 1 35 ASN HB2 1 36 LEU HG . . 4.760 3.217 2.688 3.672 . 0 0 "[ . 1 . 2]" 1
393 1 44 GLN HG3 1 70 PHE HA . . 4.920 3.728 3.412 4.134 . 0 0 "[ . 1 . 2]" 1
394 1 70 PHE HB2 1 71 PRO HD2 . . 4.130 3.774 3.670 3.837 . 0 0 "[ . 1 . 2]" 1
395 1 70 PHE HB2 1 74 PHE HB2 . . 4.770 4.594 4.290 4.829 0.059 16 0 "[ . 1 . 2]" 1
396 1 44 GLN HA 1 71 PRO HD3 . . 4.790 2.583 2.311 3.213 . 0 0 "[ . 1 . 2]" 1
397 1 22 GLY HA2 1 23 HIS HA . . 4.710 4.534 4.424 4.663 . 0 0 "[ . 1 . 2]" 1
398 1 29 MET HB2 1 49 LEU MD2 . . 4.790 3.614 3.500 3.782 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL MG1 1 31 GLU HG2 . . 5.500 5.073 4.693 5.560 0.060 10 0 "[ . 1 . 2]" 1
400 1 27 THR MG 1 31 GLU HG3 . . 4.960 4.632 4.234 5.025 0.065 14 0 "[ . 1 . 2]" 1
401 1 30 VAL MG1 1 31 GLU HG3 . . 5.500 5.570 5.470 5.586 0.086 18 0 "[ . 1 . 2]" 1
402 1 30 VAL MG2 1 31 GLU HG3 . . 5.500 5.557 5.348 5.583 0.083 8 0 "[ . 1 . 2]" 1
403 1 31 GLU HA 1 34 GLN HA . . 5.500 5.057 4.911 5.275 . 0 0 "[ . 1 . 2]" 1
404 1 31 GLU HA 1 34 GLN HG3 . . 4.940 4.655 4.287 4.980 0.040 3 0 "[ . 1 . 2]" 1
405 1 40 LEU MD2 1 68 PHE HB3 . . 4.300 3.246 2.703 3.647 . 0 0 "[ . 1 . 2]" 1
406 1 44 GLN HB3 1 68 PHE HB3 . . 3.960 2.691 2.270 3.041 . 0 0 "[ . 1 . 2]" 1
407 1 44 GLN HG2 1 68 PHE HB3 . . 4.940 4.018 3.481 4.365 . 0 0 "[ . 1 . 2]" 1
408 1 62 TYR QE 1 63 LEU HA . . 4.940 3.998 3.700 4.200 . 0 0 "[ . 1 . 2]" 1
409 1 36 LEU HG 1 59 VAL MG1 . . 5.500 4.428 3.881 4.858 . 0 0 "[ . 1 . 2]" 1
410 1 36 LEU HG 1 59 VAL MG2 . . 5.500 3.689 3.215 4.208 . 0 0 "[ . 1 . 2]" 1
411 1 37 ALA HA 1 38 PRO HD2 . . 3.000 2.175 2.076 2.290 . 0 0 "[ . 1 . 2]" 1
412 1 41 HIS HA 1 42 PRO HD2 . . 3.140 2.383 2.339 2.451 . 0 0 "[ . 1 . 2]" 1
413 1 37 ALA MB 1 38 PRO HD2 . . 4.460 3.840 3.710 3.944 . 0 0 "[ . 1 . 2]" 1
414 1 37 ALA MB 1 38 PRO HD3 . . 4.890 4.261 4.188 4.324 . 0 0 "[ . 1 . 2]" 1
415 1 37 ALA H 1 38 PRO HD2 . . 4.680 4.019 3.795 4.285 . 0 0 "[ . 1 . 2]" 1
416 1 38 PRO QG 1 39 ASN QB . . 5.050 3.499 3.267 3.942 . 0 0 "[ . 1 . 2]" 1
417 1 40 LEU HB3 1 40 LEU MD1 . . 3.560 2.336 2.281 2.418 . 0 0 "[ . 1 . 2]" 1
418 1 40 LEU HG 1 62 TYR QD . . 4.700 2.823 2.612 3.317 . 0 0 "[ . 1 . 2]" 1
419 1 40 LEU HG 1 62 TYR QE . . 4.990 2.801 2.507 3.151 . 0 0 "[ . 1 . 2]" 1
420 1 41 HIS HB3 1 44 GLN HB2 . . 4.820 2.738 2.338 3.152 . 0 0 "[ . 1 . 2]" 1
421 1 41 HIS HB2 1 44 GLN HB2 . . 5.140 4.129 3.820 4.483 . 0 0 "[ . 1 . 2]" 1
422 1 41 HIS HB2 1 44 GLN HG3 . . 4.890 3.323 3.184 3.437 . 0 0 "[ . 1 . 2]" 1
423 1 41 HIS HB3 1 70 PHE QD . . 5.140 4.702 4.291 5.052 . 0 0 "[ . 1 . 2]" 1
424 1 41 HIS HB2 1 70 PHE QD . . 5.500 5.439 5.112 5.567 0.067 8 0 "[ . 1 . 2]" 1
425 1 50 GLU H 1 50 GLU HB3 . . 4.000 3.562 3.455 3.638 . 0 0 "[ . 1 . 2]" 1
426 1 61 ARG H 1 61 ARG HB3 . . 3.590 2.691 2.554 2.852 . 0 0 "[ . 1 . 2]" 1
427 1 58 THR HA 1 61 ARG HG2 . . 4.300 2.276 2.087 2.382 . 0 0 "[ . 1 . 2]" 1
428 1 58 THR HA 1 61 ARG HG3 . . 4.060 3.238 2.886 3.395 . 0 0 "[ . 1 . 2]" 1
429 1 43 GLU HA 1 46 ARG QG . . 5.500 5.065 4.413 5.559 0.059 3 0 "[ . 1 . 2]" 1
430 1 43 GLU QG 1 46 ARG QD . . 5.500 4.316 3.018 5.562 0.062 11 0 "[ . 1 . 2]" 1
431 1 43 GLU QG 1 71 PRO HD3 . . 5.500 3.691 2.644 5.051 . 0 0 "[ . 1 . 2]" 1
432 1 43 GLU QG 1 74 PHE HB2 . . 5.010 3.899 3.102 5.082 0.072 17 0 "[ . 1 . 2]" 1
433 1 40 LEU MD1 1 45 ILE MG . . 4.560 4.094 3.923 4.279 . 0 0 "[ . 1 . 2]" 1
434 1 30 VAL MG1 1 46 ARG QB . . 4.500 2.948 2.656 3.214 . 0 0 "[ . 1 . 2]" 1
435 1 30 VAL MG2 1 46 ARG QB . . 4.500 2.327 2.116 2.581 . 0 0 "[ . 1 . 2]" 1
436 1 43 GLU HA 1 46 ARG QB . . 3.780 3.160 2.627 3.648 . 0 0 "[ . 1 . 2]" 1
437 1 47 TYR HB3 1 71 PRO HG3 . . 5.500 4.882 4.475 5.173 . 0 0 "[ . 1 . 2]" 1
438 1 44 GLN HA 1 47 TYR HB2 . . 4.650 3.705 3.411 3.933 . 0 0 "[ . 1 . 2]" 1
439 1 48 SER HA 1 58 THR MG . . 4.940 4.364 4.079 4.980 0.040 10 0 "[ . 1 . 2]" 1
440 1 48 SER HB2 1 58 THR MG . . 4.350 2.683 2.018 3.466 . 0 0 "[ . 1 . 2]" 1
441 1 47 TYR HA 1 50 GLU HB3 . . 4.540 4.325 4.083 4.554 0.014 9 0 "[ . 1 . 2]" 1
442 1 32 THR MG 1 55 VAL MG1 . . 3.160 1.945 1.882 2.029 . 0 0 "[ . 1 . 2]" 1
443 1 54 SER HA 1 56 GLU QB . . 5.500 5.572 5.551 5.582 0.082 15 0 "[ . 1 . 2]" 1
444 1 52 THR HB 1 57 GLU HB3 . . 3.430 2.192 2.052 2.314 . 0 0 "[ . 1 . 2]" 1
445 1 59 VAL HA 1 59 VAL MG2 . . 3.320 2.390 2.325 2.574 . 0 0 "[ . 1 . 2]" 1
446 1 33 VAL HA 1 59 VAL MG2 . . 4.980 2.396 2.151 2.687 . 0 0 "[ . 1 . 2]" 1
447 1 58 THR HB 1 59 VAL MG2 . . 5.500 3.141 2.984 3.234 . 0 0 "[ . 1 . 2]" 1
448 1 36 LEU HB3 1 59 VAL MG2 . . 3.950 3.468 3.324 3.834 . 0 0 "[ . 1 . 2]" 1
449 1 37 ALA MB 1 59 VAL MG2 . . 4.610 3.494 3.094 4.142 . 0 0 "[ . 1 . 2]" 1
450 1 60 GLU HA 1 64 ARG H . . 5.090 4.677 4.390 5.137 0.047 3 0 "[ . 1 . 2]" 1
451 1 60 GLU HA 1 60 GLU HG3 . . 4.090 3.213 2.390 3.817 . 0 0 "[ . 1 . 2]" 1
452 1 61 ARG HD3 1 62 TYR H . . 5.500 4.491 4.390 4.819 . 0 0 "[ . 1 . 2]" 1
453 1 58 THR HA 1 61 ARG HD3 . . 4.980 2.096 2.002 2.165 . 0 0 "[ . 1 . 2]" 1
454 1 59 VAL HA 1 62 TYR HB2 . . 4.100 3.569 3.426 3.835 . 0 0 "[ . 1 . 2]" 1
455 1 61 ARG HG2 1 62 TYR HB3 . . 4.830 4.229 4.144 4.333 . 0 0 "[ . 1 . 2]" 1
456 1 40 LEU HG 1 62 TYR HB2 . . 5.210 4.341 4.168 4.477 . 0 0 "[ . 1 . 2]" 1
457 1 37 ALA MB 1 62 TYR HB3 . . 5.080 3.644 3.289 3.812 . 0 0 "[ . 1 . 2]" 1
458 1 37 ALA MB 1 62 TYR HB2 . . 4.870 3.577 3.369 3.771 . 0 0 "[ . 1 . 2]" 1
459 1 64 ARG HG3 1 66 ASP HA . . 4.920 3.936 3.550 4.977 0.057 2 0 "[ . 1 . 2]" 1
460 1 64 ARG HE 1 64 ARG HG2 . . 4.030 3.013 2.002 3.732 . 0 0 "[ . 1 . 2]" 1
461 1 65 GLY HA3 1 66 ASP HA . . 4.970 4.639 4.510 4.746 . 0 0 "[ . 1 . 2]" 1
462 1 66 ASP QB 1 68 PHE HZ . . 5.500 4.391 3.915 4.703 . 0 0 "[ . 1 . 2]" 1
463 1 61 ARG HG3 1 66 ASP QB . . 5.500 3.230 2.996 3.580 . 0 0 "[ . 1 . 2]" 1
464 1 64 ARG HG3 1 66 ASP QB . . 5.500 3.094 2.191 4.941 . 0 0 "[ . 1 . 2]" 1
465 1 44 GLN HG2 1 68 PHE HB2 . . 5.500 5.170 4.693 5.557 0.057 16 0 "[ . 1 . 2]" 1
466 1 47 TYR QD 1 71 PRO HG3 . . 5.500 5.117 4.578 5.551 0.051 6 0 "[ . 1 . 2]" 1
467 1 71 PRO HD3 1 74 PHE HB3 . . 5.500 5.150 4.886 5.540 0.040 3 0 "[ . 1 . 2]" 1
468 1 71 PRO HG2 1 74 PHE HB3 . . 4.950 3.908 3.703 4.032 . 0 0 "[ . 1 . 2]" 1
469 1 74 PHE HB3 1 75 GLU QG . . 4.980 3.565 2.686 4.599 . 0 0 "[ . 1 . 2]" 1
470 1 74 PHE QD 1 75 GLU QG . . 5.120 3.578 2.322 5.209 0.089 20 0 "[ . 1 . 2]" 1
471 1 70 PHE HB3 1 74 PHE QD . . 5.360 3.009 2.577 3.399 . 0 0 "[ . 1 . 2]" 1
472 1 38 PRO HA 1 45 ILE MD . . 5.500 5.018 4.788 5.257 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU HA 1 45 ILE MD . . 5.500 4.899 4.695 5.530 0.030 7 0 "[ . 1 . 2]" 1
474 1 43 GLU HA 1 45 ILE MD . . 5.500 5.543 5.299 5.596 0.096 9 0 "[ . 1 . 2]" 1
475 1 33 VAL H 1 45 ILE MD . . 5.500 4.584 4.339 4.773 . 0 0 "[ . 1 . 2]" 1
476 1 40 LEU MD1 1 58 THR MG . . 4.460 3.326 3.100 3.590 . 0 0 "[ . 1 . 2]" 1
477 1 40 LEU MD1 1 45 ILE HB . . 5.500 5.152 4.912 5.578 0.078 12 0 "[ . 1 . 2]" 1
478 1 47 TYR HB3 1 70 PHE HA . . 4.680 3.834 3.649 4.082 . 0 0 "[ . 1 . 2]" 1
479 1 41 HIS HE1 1 43 GLU H . . 3.520 3.225 3.094 3.401 . 0 0 "[ . 1 . 2]" 1
480 1 41 HIS HE1 1 70 PHE QE . . 4.160 3.423 2.790 4.201 0.041 7 0 "[ . 1 . 2]" 1
481 1 41 HIS HE1 1 43 GLU QG . . 3.540 3.517 2.442 3.620 0.080 9 0 "[ . 1 . 2]" 1
482 1 41 HIS HE1 1 43 GLU HB3 . . 3.750 3.373 2.989 3.808 0.058 6 0 "[ . 1 . 2]" 1
483 1 41 HIS HE1 1 43 GLU HB2 . . 3.750 2.222 2.091 2.301 . 0 0 "[ . 1 . 2]" 1
484 1 47 TYR H 1 47 TYR QD . . 4.150 4.163 3.959 4.207 0.057 2 0 "[ . 1 . 2]" 1
485 1 47 TYR HA 1 47 TYR QD . . 2.700 2.212 2.047 2.403 . 0 0 "[ . 1 . 2]" 1
486 1 47 TYR QD 1 48 SER HA . . 4.760 4.373 3.727 4.784 0.024 15 0 "[ . 1 . 2]" 1
487 1 47 TYR QD 1 70 PHE HA . . 4.990 3.903 3.456 4.468 . 0 0 "[ . 1 . 2]" 1
488 1 47 TYR QD 1 69 SER HB2 . . 4.130 2.840 2.217 4.191 0.061 3 0 "[ . 1 . 2]" 1
489 1 47 TYR QD 1 69 SER HB3 . . 4.130 3.755 2.459 4.203 0.073 8 0 "[ . 1 . 2]" 1
490 1 47 TYR QD 1 71 PRO HA . . 3.630 2.907 2.732 3.083 . 0 0 "[ . 1 . 2]" 1
491 1 47 TYR QD 1 50 GLU HB3 . . 4.640 4.580 4.218 4.708 0.068 7 0 "[ . 1 . 2]" 1
492 1 47 TYR QD 1 71 PRO HB3 . . 3.600 3.122 2.566 3.556 . 0 0 "[ . 1 . 2]" 1
493 1 62 TYR QD 1 68 PHE QE . . 4.350 3.918 3.682 4.112 . 0 0 "[ . 1 . 2]" 1
494 1 62 TYR HA 1 62 TYR QD . . 3.220 2.770 2.630 2.959 . 0 0 "[ . 1 . 2]" 1
495 1 62 TYR QD 1 63 LEU HA . . 3.880 3.651 3.306 3.836 . 0 0 "[ . 1 . 2]" 1
496 1 59 VAL HA 1 62 TYR QD . . 3.980 3.023 2.892 3.261 . 0 0 "[ . 1 . 2]" 1
497 1 40 LEU MD2 1 62 TYR QD . . 3.330 2.605 2.393 2.733 . 0 0 "[ . 1 . 2]" 1
498 1 37 ALA MB 1 62 TYR QD . . 3.530 2.802 2.576 2.987 . 0 0 "[ . 1 . 2]" 1
499 1 40 LEU MD1 1 62 TYR QD . . 3.250 2.420 2.280 2.624 . 0 0 "[ . 1 . 2]" 1
500 1 68 PHE HA 1 68 PHE QD . . 4.010 3.078 2.895 3.173 . 0 0 "[ . 1 . 2]" 1
501 1 62 TYR HA 1 68 PHE QD . . 3.990 4.034 3.930 4.065 0.075 15 0 "[ . 1 . 2]" 1
502 1 67 GLU HA 1 68 PHE QD . . 3.950 3.444 3.037 3.688 . 0 0 "[ . 1 . 2]" 1
503 1 48 SER HB2 1 68 PHE QD . . 4.430 3.345 2.368 4.451 0.021 19 0 "[ . 1 . 2]" 1
504 1 44 GLN HB3 1 68 PHE QD . . 3.850 3.138 2.537 3.514 . 0 0 "[ . 1 . 2]" 1
505 1 40 LEU MD2 1 68 PHE QD . . 3.830 3.149 2.697 3.434 . 0 0 "[ . 1 . 2]" 1
506 1 40 LEU MD1 1 68 PHE QD . . 3.990 3.045 2.338 3.584 . 0 0 "[ . 1 . 2]" 1
507 1 74 PHE HA 1 74 PHE QD . . 3.800 2.855 2.311 3.106 . 0 0 "[ . 1 . 2]" 1
508 1 43 GLU QG 1 74 PHE QD . . 4.230 2.648 2.122 4.022 . 0 0 "[ . 1 . 2]" 1
509 1 44 GLN H 1 70 PHE QD . . 4.510 4.129 3.704 4.594 0.084 15 0 "[ . 1 . 2]" 1
510 1 70 PHE HA 1 70 PHE QD . . 3.860 3.065 2.867 3.234 . 0 0 "[ . 1 . 2]" 1
511 1 70 PHE QD 1 71 PRO HD2 . . 3.480 2.529 2.270 3.159 . 0 0 "[ . 1 . 2]" 1
512 1 70 PHE QD 1 74 PHE HB3 . . 3.960 3.922 3.657 4.033 0.073 8 0 "[ . 1 . 2]" 1
513 1 43 GLU HB3 1 70 PHE QD . . 3.790 2.775 2.417 3.410 . 0 0 "[ . 1 . 2]" 1
514 1 43 GLU HB2 1 70 PHE QD . . 4.220 4.008 3.183 4.298 0.078 16 0 "[ . 1 . 2]" 1
515 1 62 TYR HA 1 68 PHE QE . . 3.180 2.119 2.038 2.249 . 0 0 "[ . 1 . 2]" 1
516 1 48 SER HB2 1 68 PHE QE . . 4.210 3.238 2.509 4.064 . 0 0 "[ . 1 . 2]" 1
517 1 48 SER HB3 1 68 PHE QE . . 4.210 3.152 2.684 4.236 0.026 19 0 "[ . 1 . 2]" 1
518 1 58 THR MG 1 68 PHE QE . . 3.380 2.091 1.969 2.240 . 0 0 "[ . 1 . 2]" 1
519 1 62 TYR HA 1 68 PHE HZ . . 4.170 2.898 2.516 3.261 . 0 0 "[ . 1 . 2]" 1
520 1 62 TYR HB2 1 68 PHE HZ . . 3.680 2.286 2.166 2.414 . 0 0 "[ . 1 . 2]" 1
521 1 61 ARG HB2 1 68 PHE HZ . . 4.360 4.341 3.892 4.421 0.061 15 0 "[ . 1 . 2]" 1
522 1 58 THR MG 1 68 PHE HZ . . 3.800 3.038 2.649 3.456 . 0 0 "[ . 1 . 2]" 1
523 1 41 HIS HD2 1 70 PHE QE . . 4.700 3.903 3.496 4.572 . 0 0 "[ . 1 . 2]" 1
524 1 41 HIS HD2 1 70 PHE HZ . . 4.840 3.920 3.046 4.584 . 0 0 "[ . 1 . 2]" 1
525 1 41 HIS HA 1 41 HIS HD2 . . 3.470 3.237 2.871 3.372 . 0 0 "[ . 1 . 2]" 1
526 1 41 HIS HB2 1 41 HIS HD2 . . 3.300 2.679 2.592 2.862 . 0 0 "[ . 1 . 2]" 1
527 1 41 HIS HB3 1 41 HIS HD2 . . 3.930 3.830 3.786 3.912 . 0 0 "[ . 1 . 2]" 1
528 1 37 ALA HA 1 62 TYR QE . . 3.170 2.955 2.519 3.149 . 0 0 "[ . 1 . 2]" 1
529 1 38 PRO HD2 1 62 TYR QE . . 4.140 4.136 3.905 4.217 0.077 5 0 "[ . 1 . 2]" 1
530 1 39 ASN QB 1 62 TYR QE . . 3.240 2.460 2.121 2.957 . 0 0 "[ . 1 . 2]" 1
531 1 40 LEU MD2 1 62 TYR QE . . 3.560 3.454 3.097 3.614 0.054 11 0 "[ . 1 . 2]" 1
532 1 37 ALA MB 1 62 TYR QE . . 3.440 2.755 2.635 2.885 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU MD1 1 62 TYR QE . . 3.700 3.756 3.660 3.786 0.086 2 0 "[ . 1 . 2]" 1
534 1 47 TYR QE 1 51 ASN HD22 . . 3.920 2.926 2.511 3.373 . 0 0 "[ . 1 . 2]" 1
535 1 47 TYR QE 1 69 SER HB2 . . 4.040 2.560 2.038 3.977 . 0 0 "[ . 1 . 2]" 1
536 1 47 TYR QE 1 69 SER HB3 . . 4.040 3.208 2.085 3.784 . 0 0 "[ . 1 . 2]" 1
537 1 47 TYR QE 1 71 PRO HB3 . . 5.500 4.807 4.229 5.451 . 0 0 "[ . 1 . 2]" 1
538 1 58 THR HA 1 68 PHE HZ . . 4.370 3.542 3.336 3.851 . 0 0 "[ . 1 . 2]" 1
539 1 62 TYR HB3 1 68 PHE HZ . . 4.270 3.310 3.163 3.429 . 0 0 "[ . 1 . 2]" 1
540 1 41 HIS HE1 1 70 PHE QD . . 4.800 4.442 3.905 4.848 0.048 8 0 "[ . 1 . 2]" 1
541 1 44 GLN HG2 1 70 PHE QD . . 4.390 3.154 2.883 3.330 . 0 0 "[ . 1 . 2]" 1
542 1 44 GLN HG3 1 70 PHE QD . . 4.220 3.386 3.021 3.714 . 0 0 "[ . 1 . 2]" 1
543 1 70 PHE QD 1 71 PRO HD3 . . 4.200 3.728 3.382 4.255 0.055 7 0 "[ . 1 . 2]" 1
544 1 69 SER HA 1 70 PHE QD . . 4.610 3.261 2.833 3.851 . 0 0 "[ . 1 . 2]" 1
545 1 45 ILE HA 1 68 PHE QD . . 4.380 3.833 3.308 4.369 . 0 0 "[ . 1 . 2]" 1
546 1 58 THR MG 1 68 PHE QD . . 4.280 3.840 3.708 3.994 . 0 0 "[ . 1 . 2]" 1
547 1 23 HIS HD2 1 53 GLY HA2 . . 4.710 3.315 2.688 4.234 . 0 0 "[ . 1 . 2]" 1
548 1 23 HIS HD2 1 53 GLY HA3 . . 4.710 3.105 2.273 4.011 . 0 0 "[ . 1 . 2]" 1
549 1 23 HIS HD2 1 50 GLU HA . . 5.500 4.594 4.023 5.553 0.053 3 0 "[ . 1 . 2]" 1
550 1 23 HIS HD2 1 52 THR HA . . 5.500 4.797 4.257 5.424 . 0 0 "[ . 1 . 2]" 1
551 1 41 HIS H 1 41 HIS HD2 . . 5.050 4.849 4.726 4.962 . 0 0 "[ . 1 . 2]" 1
552 1 41 HIS HD2 1 42 PRO HD3 . . 4.550 4.575 4.153 4.617 0.067 11 0 "[ . 1 . 2]" 1
553 1 41 HIS HD2 1 42 PRO QG . . 5.250 4.957 4.599 5.141 . 0 0 "[ . 1 . 2]" 1
554 1 41 HIS HE1 1 43 GLU HA . . 4.950 4.923 4.802 5.003 0.053 3 0 "[ . 1 . 2]" 1
555 1 41 HIS HE1 1 42 PRO HD2 . . 5.230 3.713 3.478 3.919 . 0 0 "[ . 1 . 2]" 1
556 1 47 TYR QD 1 50 GLU HB2 . . 4.240 3.530 3.114 3.850 . 0 0 "[ . 1 . 2]" 1
557 1 47 TYR QD 1 51 ASN HD22 . . 4.380 3.511 3.165 3.863 . 0 0 "[ . 1 . 2]" 1
558 1 46 ARG HE 1 47 TYR QD . . 4.720 3.366 3.130 3.603 . 0 0 "[ . 1 . 2]" 1
559 1 47 TYR QD 1 69 SER H . . 4.670 3.746 2.992 4.177 . 0 0 "[ . 1 . 2]" 1
560 1 47 TYR QD 1 50 GLU H . . 5.250 4.981 4.693 5.223 . 0 0 "[ . 1 . 2]" 1
561 1 40 LEU HB2 1 62 TYR QD . . 5.500 5.001 4.811 5.419 . 0 0 "[ . 1 . 2]" 1
562 1 62 TYR QD 1 63 LEU HB2 . . 5.500 4.678 4.356 4.873 . 0 0 "[ . 1 . 2]" 1
563 1 62 TYR QD 1 68 PHE HZ . . 4.500 4.205 4.004 4.407 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU HB3 1 62 TYR QE . . 5.110 4.892 4.222 5.174 0.064 6 0 "[ . 1 . 2]" 1
565 1 40 LEU HB2 1 62 TYR QE . . 5.410 4.924 4.585 5.380 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU HB2 1 62 TYR QE . . 5.320 5.264 4.674 5.390 0.070 12 0 "[ . 1 . 2]" 1
567 1 62 TYR QE 1 63 LEU H . . 4.400 4.471 4.452 4.485 0.085 20 0 "[ . 1 . 2]" 1
568 1 62 TYR QD 1 68 PHE QD . . 4.870 4.640 4.369 4.931 0.061 10 0 "[ . 1 . 2]" 1
569 1 44 GLN HB2 1 68 PHE QD . . 4.400 4.106 3.466 4.469 0.069 11 0 "[ . 1 . 2]" 1
570 1 66 ASP QB 1 68 PHE QD . . 4.470 3.705 3.399 4.182 . 0 0 "[ . 1 . 2]" 1
571 1 67 GLU QB 1 68 PHE QD . . 4.740 4.735 4.597 4.818 0.078 18 0 "[ . 1 . 2]" 1
572 1 68 PHE QD 1 69 SER H . . 5.120 4.447 4.274 4.596 . 0 0 "[ . 1 . 2]" 1
573 1 67 GLU H 1 68 PHE QD . . 5.120 4.393 4.202 4.679 . 0 0 "[ . 1 . 2]" 1
574 1 61 ARG HA 1 68 PHE QE . . 5.120 4.953 4.740 5.176 0.056 2 0 "[ . 1 . 2]" 1
575 1 45 ILE HA 1 68 PHE QE . . 4.820 3.912 3.242 4.690 . 0 0 "[ . 1 . 2]" 1
576 1 62 TYR HB3 1 68 PHE QE . . 5.080 4.215 4.011 4.343 . 0 0 "[ . 1 . 2]" 1
577 1 62 TYR HB2 1 68 PHE QE . . 4.250 3.147 2.895 3.339 . 0 0 "[ . 1 . 2]" 1
578 1 66 ASP QB 1 68 PHE QE . . 4.250 2.775 2.422 3.217 . 0 0 "[ . 1 . 2]" 1
579 1 61 ARG HB3 1 68 PHE QE . . 5.170 5.102 4.950 5.247 0.077 8 0 "[ . 1 . 2]" 1
580 1 61 ARG HB2 1 68 PHE QE . . 4.440 3.835 3.575 4.132 . 0 0 "[ . 1 . 2]" 1
581 1 33 VAL MG1 1 68 PHE QE . . 5.500 3.574 3.185 4.066 . 0 0 "[ . 1 . 2]" 1
582 1 52 THR MG 1 68 PHE QE . . 5.500 4.741 4.264 5.117 . 0 0 "[ . 1 . 2]" 1
583 1 40 LEU MD2 1 68 PHE QE . . 4.510 3.738 3.569 4.016 . 0 0 "[ . 1 . 2]" 1
584 1 40 LEU MD1 1 68 PHE QE . . 4.260 2.736 2.278 3.175 . 0 0 "[ . 1 . 2]" 1
585 1 41 HIS HE1 1 74 PHE HZ . . 4.380 3.914 2.890 4.423 0.043 17 0 "[ . 1 . 2]" 1
586 1 41 HIS HB2 1 70 PHE HZ . . 3.750 3.190 2.747 3.485 . 0 0 "[ . 1 . 2]" 1
587 1 41 HIS HB3 1 70 PHE HZ . . 3.910 3.727 3.121 3.970 0.060 16 0 "[ . 1 . 2]" 1
588 1 44 GLN HG3 1 70 PHE HZ . . 4.570 3.349 2.967 3.647 . 0 0 "[ . 1 . 2]" 1
589 1 44 GLN HE21 1 70 PHE QD . . 4.740 4.028 3.524 4.554 . 0 0 "[ . 1 . 2]" 1
590 1 43 GLU QG 1 70 PHE QD . . 4.240 3.749 2.740 4.327 0.087 11 0 "[ . 1 . 2]" 1
591 1 74 PHE QD 1 75 GLU HA . . 4.640 3.592 3.076 4.269 . 0 0 "[ . 1 . 2]" 1
592 1 41 HIS HB2 1 70 PHE QE . . 5.300 3.649 3.183 4.016 . 0 0 "[ . 1 . 2]" 1
593 1 71 PRO HD2 1 74 PHE QD . . 5.500 3.670 3.312 4.169 . 0 0 "[ . 1 . 2]" 1
594 1 70 PHE HB2 1 74 PHE QD . . 5.140 3.332 2.872 3.939 . 0 0 "[ . 1 . 2]" 1
595 1 43 GLU HB3 1 70 PHE QE . . 4.600 3.548 2.684 4.499 . 0 0 "[ . 1 . 2]" 1
596 1 44 GLN HB3 1 70 PHE QE . . 5.240 5.233 5.057 5.313 0.073 11 0 "[ . 1 . 2]" 1
597 1 41 HIS HE1 1 74 PHE QE . . 4.530 2.795 2.201 4.190 . 0 0 "[ . 1 . 2]" 1
598 1 43 GLU QG 1 74 PHE QE . . 4.310 3.287 2.529 4.381 0.071 13 0 "[ . 1 . 2]" 1
599 1 59 VAL HA 1 68 PHE HZ . . 5.300 4.557 4.378 4.691 . 0 0 "[ . 1 . 2]" 1
600 1 61 ARG HD2 1 68 PHE HZ . . 5.000 4.581 4.270 5.047 0.047 18 0 "[ . 1 . 2]" 1
601 1 61 ARG HG3 1 68 PHE HZ . . 5.230 2.108 2.036 2.220 . 0 0 "[ . 1 . 2]" 1
602 1 40 LEU MD1 1 68 PHE HZ . . 4.780 3.278 3.089 3.504 . 0 0 "[ . 1 . 2]" 1
603 1 41 HIS H 1 70 PHE HZ . . 5.500 5.096 4.541 5.499 . 0 0 "[ . 1 . 2]" 1
604 1 54 SER HA 1 55 VAL H . . 2.480 2.135 2.065 2.220 . 0 0 "[ . 1 . 2]" 1
605 1 54 SER HB2 1 55 VAL H . . 4.430 3.997 3.688 4.487 0.057 10 0 "[ . 1 . 2]" 1
606 1 54 SER HB3 1 55 VAL H . . 4.430 3.175 2.676 4.017 . 0 0 "[ . 1 . 2]" 1
607 1 29 MET ME 1 55 VAL H . . 3.990 2.856 2.201 3.511 . 0 0 "[ . 1 . 2]" 1
608 1 55 VAL H 1 55 VAL HB . . 2.890 2.376 2.247 2.681 . 0 0 "[ . 1 . 2]" 1
609 1 55 VAL H 1 55 VAL MG1 . . 4.240 3.746 3.697 3.808 . 0 0 "[ . 1 . 2]" 1
610 1 74 PHE H 1 75 GLU H . . 3.360 2.435 2.176 2.731 . 0 0 "[ . 1 . 2]" 1
611 1 74 PHE QD 1 75 GLU H . . 3.840 3.737 3.359 3.918 0.078 10 0 "[ . 1 . 2]" 1
612 1 74 PHE HB2 1 75 GLU H . . 4.010 3.917 3.633 4.066 0.056 20 0 "[ . 1 . 2]" 1
613 1 74 PHE HB3 1 75 GLU H . . 3.760 2.747 2.323 3.008 . 0 0 "[ . 1 . 2]" 1
614 1 75 GLU H 1 75 GLU QG . . 3.660 2.412 1.985 3.332 . 0 0 "[ . 1 . 2]" 1
615 1 75 GLU H 1 75 GLU HB2 . . 3.940 2.875 2.240 3.710 . 0 0 "[ . 1 . 2]" 1
616 1 75 GLU H 1 75 GLU HB3 . . 3.940 3.306 2.449 3.778 . 0 0 "[ . 1 . 2]" 1
617 1 67 GLU H 1 68 PHE H . . 4.650 4.576 4.491 4.641 . 0 0 "[ . 1 . 2]" 1
618 1 44 GLN HE21 1 68 PHE H . . 4.670 4.263 3.897 4.664 . 0 0 "[ . 1 . 2]" 1
619 1 68 PHE H 1 68 PHE QD . . 3.670 3.215 2.906 3.432 . 0 0 "[ . 1 . 2]" 1
620 1 44 GLN HE22 1 68 PHE H . . 4.630 4.389 3.962 4.644 0.014 3 0 "[ . 1 . 2]" 1
621 1 67 GLU HA 1 68 PHE H . . 2.670 2.135 2.049 2.231 . 0 0 "[ . 1 . 2]" 1
622 1 68 PHE H 1 68 PHE HB2 . . 3.150 2.623 2.504 2.771 . 0 0 "[ . 1 . 2]" 1
623 1 68 PHE H 1 68 PHE HB3 . . 3.790 3.707 3.612 3.787 . 0 0 "[ . 1 . 2]" 1
624 1 67 GLU HG2 1 68 PHE H . . 5.080 4.495 3.790 5.135 0.055 20 0 "[ . 1 . 2]" 1
625 1 67 GLU HG3 1 68 PHE H . . 5.080 4.677 3.697 5.137 0.057 14 0 "[ . 1 . 2]" 1
626 1 67 GLU QB 1 68 PHE H . . 3.620 2.950 2.743 3.243 . 0 0 "[ . 1 . 2]" 1
627 1 40 LEU MD2 1 68 PHE H . . 5.500 5.134 4.520 5.525 0.025 16 0 "[ . 1 . 2]" 1
628 1 41 HIS H 1 44 GLN H . . 4.550 4.310 4.028 4.558 0.008 6 0 "[ . 1 . 2]" 1
629 1 34 GLN HE22 1 41 HIS H . . 4.920 4.671 4.470 4.839 . 0 0 "[ . 1 . 2]" 1
630 1 40 LEU HA 1 41 HIS H . . 2.560 2.325 2.254 2.394 . 0 0 "[ . 1 . 2]" 1
631 1 41 HIS H 1 42 PRO HD2 . . 4.830 4.890 4.885 4.896 0.066 6 0 "[ . 1 . 2]" 1
632 1 41 HIS H 1 41 HIS HB2 . . 2.910 2.412 2.278 2.486 . 0 0 "[ . 1 . 2]" 1
633 1 41 HIS H 1 41 HIS HB3 . . 2.940 2.497 2.429 2.574 . 0 0 "[ . 1 . 2]" 1
634 1 41 HIS H 1 44 GLN HB2 . . 3.280 3.135 2.953 3.329 0.049 12 0 "[ . 1 . 2]" 1
635 1 41 HIS H 1 44 GLN HB3 . . 4.750 4.526 4.324 4.746 . 0 0 "[ . 1 . 2]" 1
636 1 40 LEU HB2 1 41 HIS H . . 4.280 3.900 3.711 4.011 . 0 0 "[ . 1 . 2]" 1
637 1 41 HIS H 1 44 GLN HG2 . . 5.490 5.037 4.656 5.416 . 0 0 "[ . 1 . 2]" 1
638 1 40 LEU HG 1 41 HIS H . . 4.990 4.880 4.713 5.011 0.021 7 0 "[ . 1 . 2]" 1
639 1 40 LEU HB3 1 41 HIS H . . 3.300 2.645 2.460 2.752 . 0 0 "[ . 1 . 2]" 1
640 1 41 HIS H 1 44 GLN HG3 . . 4.720 3.932 3.579 4.364 . 0 0 "[ . 1 . 2]" 1
641 1 41 HIS H 1 45 ILE MD . . 5.220 4.503 4.247 4.984 . 0 0 "[ . 1 . 2]" 1
642 1 40 LEU MD2 1 41 HIS H . . 3.470 3.187 2.986 3.350 . 0 0 "[ . 1 . 2]" 1
643 1 40 LEU MD1 1 41 HIS H . . 4.380 4.399 4.276 4.454 0.074 5 0 "[ . 1 . 2]" 1
644 1 36 LEU H 1 37 ALA H . . 2.540 2.484 2.308 2.596 0.056 5 0 "[ . 1 . 2]" 1
645 1 34 GLN HA 1 37 ALA H . . 3.660 3.296 3.216 3.414 . 0 0 "[ . 1 . 2]" 1
646 1 37 ALA H 1 38 PRO HD3 . . 3.720 3.316 3.025 3.706 . 0 0 "[ . 1 . 2]" 1
647 1 35 ASN HB2 1 37 ALA H . . 5.010 4.873 4.742 5.005 . 0 0 "[ . 1 . 2]" 1
648 1 34 GLN HB2 1 37 ALA H . . 5.500 5.551 5.517 5.566 0.066 2 0 "[ . 1 . 2]" 1
649 1 37 ALA H 1 38 PRO HB3 . . 5.500 5.193 4.912 5.565 0.065 18 0 "[ . 1 . 2]" 1
650 1 37 ALA H 1 38 PRO QG . . 5.500 5.123 4.880 5.427 . 0 0 "[ . 1 . 2]" 1
651 1 36 LEU HB2 1 37 ALA H . . 3.370 3.155 2.796 3.364 . 0 0 "[ . 1 . 2]" 1
652 1 36 LEU HB3 1 37 ALA H . . 4.190 4.129 3.883 4.246 0.056 19 0 "[ . 1 . 2]" 1
653 1 37 ALA H 1 37 ALA MB . . 2.820 2.475 2.359 2.576 . 0 0 "[ . 1 . 2]" 1
654 1 24 PRO HA 1 25 VAL H . . 2.400 2.215 2.091 2.276 . 0 0 "[ . 1 . 2]" 1
655 1 24 PRO HB3 1 25 VAL H . . 4.190 4.030 3.819 4.226 0.036 5 0 "[ . 1 . 2]" 1
656 1 25 VAL H 1 29 MET ME . . 5.500 5.338 4.738 5.553 0.053 10 0 "[ . 1 . 2]" 1
657 1 24 PRO HB2 1 25 VAL H . . 3.830 3.442 3.095 3.731 . 0 0 "[ . 1 . 2]" 1
658 1 25 VAL H 1 26 THR MG . . 5.140 4.650 4.423 5.056 . 0 0 "[ . 1 . 2]" 1
659 1 25 VAL H 1 25 VAL MG1 . . 3.310 2.826 2.477 3.004 . 0 0 "[ . 1 . 2]" 1
660 1 25 VAL H 1 25 VAL MG2 . . 3.310 2.400 2.114 2.600 . 0 0 "[ . 1 . 2]" 1
661 1 60 GLU H 1 63 LEU H . . 5.220 4.925 4.796 5.085 . 0 0 "[ . 1 . 2]" 1
662 1 63 LEU H 1 65 GLY H . . 4.160 4.178 4.120 4.221 0.061 14 0 "[ . 1 . 2]" 1
663 1 62 TYR QD 1 63 LEU H . . 3.390 2.624 2.509 2.740 . 0 0 "[ . 1 . 2]" 1
664 1 59 VAL HA 1 63 LEU H . . 4.170 3.881 3.803 3.993 . 0 0 "[ . 1 . 2]" 1
665 1 62 TYR HB3 1 63 LEU H . . 3.000 2.584 2.460 2.712 . 0 0 "[ . 1 . 2]" 1
666 1 62 TYR HB2 1 63 LEU H . . 4.170 3.911 3.798 3.973 . 0 0 "[ . 1 . 2]" 1
667 1 63 LEU H 1 63 LEU HB3 . . 2.670 2.580 2.433 2.629 . 0 0 "[ . 1 . 2]" 1
668 1 63 LEU H 1 63 LEU HB2 . . 3.690 3.629 3.561 3.658 . 0 0 "[ . 1 . 2]" 1
669 1 63 LEU H 1 63 LEU HG . . 3.160 2.148 2.060 2.265 . 0 0 "[ . 1 . 2]" 1
670 1 69 SER HA 1 70 PHE H . . 2.660 2.535 2.375 2.657 . 0 0 "[ . 1 . 2]" 1
671 1 69 SER HB2 1 70 PHE H . . 3.790 3.384 2.393 3.842 0.052 15 0 "[ . 1 . 2]" 1
672 1 69 SER HB3 1 70 PHE H . . 3.790 2.440 2.126 3.183 . 0 0 "[ . 1 . 2]" 1
673 1 70 PHE H 1 71 PRO HD2 . . 5.030 4.887 4.835 4.962 . 0 0 "[ . 1 . 2]" 1
674 1 70 PHE H 1 70 PHE HB2 . . 2.780 2.335 2.224 2.480 . 0 0 "[ . 1 . 2]" 1
675 1 70 PHE H 1 70 PHE HB3 . . 3.680 3.568 3.496 3.686 0.006 15 0 "[ . 1 . 2]" 1
676 1 18 ARG HA 1 19 VAL H . . 3.080 2.470 2.088 3.148 0.068 8 0 "[ . 1 . 2]" 1
677 1 19 VAL H 1 19 VAL HB . . 3.630 2.953 2.214 3.654 0.024 8 0 "[ . 1 . 2]" 1
678 1 18 ARG HB2 1 19 VAL H . . 5.240 3.832 2.426 4.693 . 0 0 "[ . 1 . 2]" 1
679 1 18 ARG HB3 1 19 VAL H . . 5.240 3.293 2.145 4.547 . 0 0 "[ . 1 . 2]" 1
680 1 18 ARG QG 1 19 VAL H . . 4.500 4.104 3.397 4.567 0.067 18 0 "[ . 1 . 2]" 1
681 1 19 VAL H 1 19 VAL QG . . 3.490 2.229 1.734 2.983 . 0 0 "[ . 1 . 2]" 1
682 1 62 TYR H 1 66 ASP H . . 5.170 4.928 4.861 5.012 . 0 0 "[ . 1 . 2]" 1
683 1 65 GLY H 1 66 ASP H . . 2.650 2.420 2.276 2.611 . 0 0 "[ . 1 . 2]" 1
684 1 66 ASP H 1 68 PHE QE . . 4.280 3.264 2.883 3.608 . 0 0 "[ . 1 . 2]" 1
685 1 66 ASP H 1 66 ASP HA . . 2.940 2.872 2.789 2.941 0.001 17 0 "[ . 1 . 2]" 1
686 1 61 ARG HA 1 66 ASP H . . 4.640 4.171 3.900 4.448 . 0 0 "[ . 1 . 2]" 1
687 1 64 ARG QD 1 66 ASP H . . 4.600 3.766 3.254 4.315 . 0 0 "[ . 1 . 2]" 1
688 1 66 ASP H 1 66 ASP QB . . 2.540 2.205 2.064 2.330 . 0 0 "[ . 1 . 2]" 1
689 1 61 ARG HB2 1 66 ASP H . . 4.470 4.078 3.886 4.376 . 0 0 "[ . 1 . 2]" 1
690 1 23 HIS H 1 23 HIS HD2 . . 4.000 3.362 2.668 4.050 0.050 19 0 "[ . 1 . 2]" 1
691 1 23 HIS H 1 50 GLU HA . . 3.580 2.852 2.466 3.224 . 0 0 "[ . 1 . 2]" 1
692 1 23 HIS H 1 50 GLU HB3 . . 4.490 3.058 2.464 3.426 . 0 0 "[ . 1 . 2]" 1
693 1 13 LEU HA 1 14 ARG H . . 3.230 2.516 2.033 3.295 0.065 14 0 "[ . 1 . 2]" 1
694 1 14 ARG H 1 14 ARG QB . . 3.520 2.489 2.028 3.358 . 0 0 "[ . 1 . 2]" 1
695 1 13 LEU HG 1 14 ARG H . . 4.590 3.475 1.845 4.631 0.041 19 0 "[ . 1 . 2]" 1
696 1 69 SER H 1 70 PHE H . . 4.570 4.566 4.511 4.629 0.059 2 0 "[ . 1 . 2]" 1
697 1 68 PHE HA 1 69 SER H . . 2.780 2.077 2.025 2.136 . 0 0 "[ . 1 . 2]" 1
698 1 69 SER H 1 69 SER HB2 . . 3.710 2.544 2.275 3.364 . 0 0 "[ . 1 . 2]" 1
699 1 69 SER H 1 69 SER HB3 . . 3.710 3.542 2.737 3.704 . 0 0 "[ . 1 . 2]" 1
700 1 68 PHE HB3 1 69 SER H . . 4.450 3.687 3.605 3.778 . 0 0 "[ . 1 . 2]" 1
701 1 73 GLY H 1 74 PHE H . . 3.450 2.682 2.299 3.089 . 0 0 "[ . 1 . 2]" 1
702 1 74 PHE H 1 74 PHE QD . . 4.220 4.188 4.122 4.255 0.035 17 0 "[ . 1 . 2]" 1
703 1 74 PHE H 1 74 PHE HB2 . . 2.760 2.550 2.350 2.706 . 0 0 "[ . 1 . 2]" 1
704 1 74 PHE H 1 74 PHE HB3 . . 2.840 2.485 2.391 2.682 . 0 0 "[ . 1 . 2]" 1
705 1 70 PHE HB3 1 74 PHE H . . 4.670 4.624 4.376 4.730 0.060 13 0 "[ . 1 . 2]" 1
706 1 71 PRO HG2 1 74 PHE H . . 4.400 4.097 3.692 4.420 0.020 9 0 "[ . 1 . 2]" 1
707 1 71 PRO HB2 1 74 PHE H . . 4.640 4.641 4.294 4.700 0.060 11 0 "[ . 1 . 2]" 1
708 1 59 VAL H 1 60 GLU H . . 2.860 2.549 2.496 2.603 . 0 0 "[ . 1 . 2]" 1
709 1 57 GLU HA 1 60 GLU H . . 3.470 3.339 3.130 3.496 0.026 15 0 "[ . 1 . 2]" 1
710 1 60 GLU H 1 60 GLU HA . . 2.920 2.854 2.825 2.877 . 0 0 "[ . 1 . 2]" 1
711 1 56 GLU HA 1 60 GLU H . . 4.610 4.113 3.869 4.365 . 0 0 "[ . 1 . 2]" 1
712 1 58 THR HA 1 60 GLU H . . 5.110 4.495 4.382 4.578 . 0 0 "[ . 1 . 2]" 1
713 1 58 THR MG 1 60 GLU H . . 5.300 5.299 5.178 5.351 0.051 19 0 "[ . 1 . 2]" 1
714 1 59 VAL MG2 1 60 GLU H . . 4.620 4.038 3.939 4.106 . 0 0 "[ . 1 . 2]" 1
715 1 18 ARG H 1 18 ARG QG . . 4.630 3.191 2.099 4.353 . 0 0 "[ . 1 . 2]" 1
716 1 57 GLU H 1 59 VAL H . . 4.470 4.136 4.016 4.279 . 0 0 "[ . 1 . 2]" 1
717 1 58 THR HB 1 59 VAL H . . 3.000 2.764 2.651 2.903 . 0 0 "[ . 1 . 2]" 1
718 1 56 GLU HA 1 59 VAL H . . 4.040 3.528 3.248 3.752 . 0 0 "[ . 1 . 2]" 1
719 1 55 VAL HA 1 59 VAL H . . 4.330 4.185 4.023 4.317 . 0 0 "[ . 1 . 2]" 1
720 1 59 VAL H 1 59 VAL HB . . 2.530 2.418 2.259 2.578 0.048 13 0 "[ . 1 . 2]" 1
721 1 59 VAL H 1 61 ARG HG2 . . 4.460 4.288 4.226 4.351 . 0 0 "[ . 1 . 2]" 1
722 1 57 GLU HB3 1 59 VAL H . . 5.280 5.034 4.826 5.145 . 0 0 "[ . 1 . 2]" 1
723 1 58 THR MG 1 59 VAL H . . 3.650 3.704 3.605 3.730 0.080 19 0 "[ . 1 . 2]" 1
724 1 43 GLU H 1 45 ILE H . . 4.160 4.080 3.945 4.218 0.058 20 0 "[ . 1 . 2]" 1
725 1 41 HIS H 1 45 ILE H . . 4.870 4.673 4.445 4.928 0.058 12 0 "[ . 1 . 2]" 1
726 1 45 ILE H 1 46 ARG H . . 3.240 3.037 2.969 3.105 . 0 0 "[ . 1 . 2]" 1
727 1 43 GLU HA 1 45 ILE H . . 4.490 4.290 4.118 4.516 0.026 2 0 "[ . 1 . 2]" 1
728 1 41 HIS HB3 1 45 ILE H . . 4.490 4.132 3.992 4.465 . 0 0 "[ . 1 . 2]" 1
729 1 44 GLN HB2 1 45 ILE H . . 3.150 2.524 2.297 2.731 . 0 0 "[ . 1 . 2]" 1
730 1 45 ILE H 1 45 ILE HB . . 2.710 2.423 2.366 2.592 . 0 0 "[ . 1 . 2]" 1
731 1 44 GLN HB3 1 45 ILE H . . 3.830 3.549 3.329 3.749 . 0 0 "[ . 1 . 2]" 1
732 1 45 ILE H 1 45 ILE HG13 . . 2.730 2.184 1.957 2.344 . 0 0 "[ . 1 . 2]" 1
733 1 45 ILE H 1 45 ILE MG . . 3.790 3.735 3.667 3.774 . 0 0 "[ . 1 . 2]" 1
734 1 44 GLN HG3 1 45 ILE H . . 4.660 4.380 4.172 4.519 . 0 0 "[ . 1 . 2]" 1
735 1 45 ILE H 1 45 ILE MD . . 3.810 3.345 3.240 3.444 . 0 0 "[ . 1 . 2]" 1
736 1 45 ILE H 1 45 ILE HG12 . . 3.700 3.552 3.342 3.742 0.042 9 0 "[ . 1 . 2]" 1
737 1 40 LEU MD1 1 45 ILE H . . 5.040 4.634 4.238 4.974 . 0 0 "[ . 1 . 2]" 1
738 1 29 MET H 1 31 GLU H . . 4.510 4.403 4.186 4.553 0.043 11 0 "[ . 1 . 2]" 1
739 1 28 GLN H 1 29 MET H . . 3.110 2.907 2.811 2.993 . 0 0 "[ . 1 . 2]" 1
740 1 26 THR HB 1 29 MET H . . 3.820 3.865 3.772 3.880 0.060 13 0 "[ . 1 . 2]" 1
741 1 25 VAL HA 1 29 MET H . . 5.500 5.543 5.404 5.570 0.070 15 0 "[ . 1 . 2]" 1
742 1 29 MET H 1 32 THR HB . . 5.500 5.411 5.160 5.560 0.060 12 0 "[ . 1 . 2]" 1
743 1 28 GLN QG 1 29 MET H . . 3.850 2.119 1.964 2.283 . 0 0 "[ . 1 . 2]" 1
744 1 26 THR MG 1 29 MET H . . 5.230 4.888 4.692 5.066 . 0 0 "[ . 1 . 2]" 1
745 1 27 THR MG 1 29 MET H . . 5.500 5.147 4.970 5.396 . 0 0 "[ . 1 . 2]" 1
746 1 27 THR H 1 28 GLN H . . 3.740 2.861 2.664 3.095 . 0 0 "[ . 1 . 2]" 1
747 1 28 GLN H 1 30 VAL H . . 4.560 4.368 4.215 4.511 . 0 0 "[ . 1 . 2]" 1
748 1 27 THR HB 1 28 GLN H . . 3.150 2.606 2.175 3.053 . 0 0 "[ . 1 . 2]" 1
749 1 28 GLN H 1 28 GLN QG . . 3.650 2.423 2.187 3.161 . 0 0 "[ . 1 . 2]" 1
750 1 28 GLN H 1 28 GLN HB3 . . 2.880 2.478 2.349 2.872 . 0 0 "[ . 1 . 2]" 1
751 1 28 GLN H 1 28 GLN HB2 . . 3.690 3.576 3.520 3.680 . 0 0 "[ . 1 . 2]" 1
752 1 26 THR MG 1 28 GLN H . . 4.520 4.421 4.289 4.525 0.005 2 0 "[ . 1 . 2]" 1
753 1 27 THR MG 1 28 GLN H . . 4.740 3.678 3.463 3.880 . 0 0 "[ . 1 . 2]" 1
754 1 12 ALA HA 1 13 LEU H . . 3.030 2.443 2.172 2.900 . 0 0 "[ . 1 . 2]" 1
755 1 12 ALA MB 1 13 LEU H . . 3.650 2.886 1.914 3.719 0.069 5 0 "[ . 1 . 2]" 1
756 1 50 GLU H 1 52 THR H . . 4.410 4.361 4.258 4.442 0.032 13 0 "[ . 1 . 2]" 1
757 1 47 TYR HA 1 50 GLU H . . 3.600 3.360 3.210 3.497 . 0 0 "[ . 1 . 2]" 1
758 1 46 ARG HA 1 50 GLU H . . 4.600 4.254 4.063 4.419 . 0 0 "[ . 1 . 2]" 1
759 1 47 TYR HB3 1 50 GLU H . . 5.500 5.401 5.282 5.534 0.034 18 0 "[ . 1 . 2]" 1
760 1 50 GLU H 1 51 ASN HB2 . . 4.710 4.617 4.444 4.751 0.041 2 0 "[ . 1 . 2]" 1
761 1 50 GLU H 1 50 GLU HB2 . . 2.760 2.324 2.190 2.454 . 0 0 "[ . 1 . 2]" 1
762 1 49 LEU HB2 1 50 GLU H . . 2.970 2.688 2.495 2.819 . 0 0 "[ . 1 . 2]" 1
763 1 46 ARG QG 1 50 GLU H . . 4.940 4.512 4.245 4.872 . 0 0 "[ . 1 . 2]" 1
764 1 49 LEU HB3 1 50 GLU H . . 3.830 3.692 3.565 3.822 . 0 0 "[ . 1 . 2]" 1
765 1 49 LEU MD1 1 50 GLU H . . 5.460 4.451 4.213 4.560 . 0 0 "[ . 1 . 2]" 1
766 1 49 LEU MD2 1 50 GLU H . . 5.460 4.811 4.710 4.899 . 0 0 "[ . 1 . 2]" 1
767 1 41 HIS HA 1 43 GLU H . . 4.420 4.178 4.057 4.256 . 0 0 "[ . 1 . 2]" 1
768 1 42 PRO HD2 1 43 GLU H . . 4.600 2.861 2.790 2.913 . 0 0 "[ . 1 . 2]" 1
769 1 41 HIS HB2 1 43 GLU H . . 4.600 4.618 4.484 4.662 0.062 15 0 "[ . 1 . 2]" 1
770 1 41 HIS HB3 1 43 GLU H . . 4.080 3.391 3.203 3.537 . 0 0 "[ . 1 . 2]" 1
771 1 42 PRO QB 1 43 GLU H . . 4.310 3.419 3.300 3.594 . 0 0 "[ . 1 . 2]" 1
772 1 43 GLU H 1 43 GLU HB3 . . 3.260 2.993 2.631 3.333 0.073 6 0 "[ . 1 . 2]" 1
773 1 42 PRO QG 1 43 GLU H . . 3.670 2.684 2.389 2.985 . 0 0 "[ . 1 . 2]" 1
774 1 43 GLU H 1 43 GLU HB2 . . 3.800 2.126 2.050 2.276 . 0 0 "[ . 1 . 2]" 1
775 1 55 VAL H 1 57 GLU H . . 4.600 4.311 4.154 4.635 0.035 10 0 "[ . 1 . 2]" 1
776 1 57 GLU H 1 57 GLU HA . . 2.940 2.840 2.782 2.883 . 0 0 "[ . 1 . 2]" 1
777 1 57 GLU H 1 57 GLU HB2 . . 2.760 2.532 2.316 2.686 . 0 0 "[ . 1 . 2]" 1
778 1 56 GLU QB 1 57 GLU H . . 3.570 3.383 3.175 3.523 . 0 0 "[ . 1 . 2]" 1
779 1 57 GLU H 1 57 GLU HB3 . . 2.810 2.502 2.316 2.664 . 0 0 "[ . 1 . 2]" 1
780 1 52 THR MG 1 57 GLU H . . 5.500 5.213 4.931 5.411 . 0 0 "[ . 1 . 2]" 1
781 1 55 VAL MG1 1 57 GLU H . . 5.500 5.066 4.921 5.265 . 0 0 "[ . 1 . 2]" 1
782 1 55 VAL MG2 1 57 GLU H . . 5.500 5.569 5.543 5.584 0.084 16 0 "[ . 1 . 2]" 1
783 1 62 TYR H 1 63 LEU H . . 2.910 2.935 2.822 2.971 0.061 20 0 "[ . 1 . 2]" 1
784 1 59 VAL H 1 62 TYR H . . 4.870 4.616 4.539 4.686 . 0 0 "[ . 1 . 2]" 1
785 1 62 TYR H 1 68 PHE HZ . . 3.050 2.734 2.470 2.879 . 0 0 "[ . 1 . 2]" 1
786 1 62 TYR H 1 68 PHE QE . . 3.800 3.613 3.435 3.770 . 0 0 "[ . 1 . 2]" 1
787 1 62 TYR H 1 62 TYR QD . . 3.990 4.038 3.978 4.066 0.076 12 0 "[ . 1 . 2]" 1
788 1 60 GLU HA 1 62 TYR H . . 4.650 4.460 4.321 4.666 0.016 3 0 "[ . 1 . 2]" 1
789 1 61 ARG HA 1 62 TYR H . . 3.540 3.522 3.428 3.558 0.018 3 0 "[ . 1 . 2]" 1
790 1 59 VAL HA 1 62 TYR H . . 3.440 3.441 3.302 3.502 0.062 10 0 "[ . 1 . 2]" 1
791 1 62 TYR H 1 62 TYR HB3 . . 2.670 2.241 2.143 2.290 . 0 0 "[ . 1 . 2]" 1
792 1 62 TYR H 1 62 TYR HB2 . . 3.110 2.861 2.783 2.934 . 0 0 "[ . 1 . 2]" 1
793 1 61 ARG HD2 1 62 TYR H . . 4.950 4.671 4.543 4.865 . 0 0 "[ . 1 . 2]" 1
794 1 62 TYR H 1 66 ASP QB . . 4.700 4.511 4.311 4.731 0.031 5 0 "[ . 1 . 2]" 1
795 1 61 ARG HG2 1 62 TYR H . . 2.990 2.347 2.232 2.512 . 0 0 "[ . 1 . 2]" 1
796 1 61 ARG HB2 1 62 TYR H . . 3.830 3.862 3.744 3.893 0.063 16 0 "[ . 1 . 2]" 1
797 1 61 ARG HG3 1 62 TYR H . . 4.390 2.634 2.434 3.204 . 0 0 "[ . 1 . 2]" 1
798 1 58 THR MG 1 62 TYR H . . 4.400 4.376 4.006 4.483 0.083 13 0 "[ . 1 . 2]" 1
799 1 62 TYR H 1 63 LEU HG . . 4.110 4.168 4.145 4.179 0.069 7 0 "[ . 1 . 2]" 1
800 1 43 GLU HA 1 46 ARG H . . 4.040 3.612 3.339 3.845 . 0 0 "[ . 1 . 2]" 1
801 1 44 GLN HA 1 46 ARG H . . 5.500 4.839 4.741 4.935 . 0 0 "[ . 1 . 2]" 1
802 1 30 VAL HB 1 46 ARG H . . 5.500 5.564 5.548 5.572 0.072 16 0 "[ . 1 . 2]" 1
803 1 45 ILE HB 1 46 ARG H . . 2.620 2.435 2.245 2.534 . 0 0 "[ . 1 . 2]" 1
804 1 46 ARG H 1 46 ARG QB . . 2.790 2.190 2.073 2.302 . 0 0 "[ . 1 . 2]" 1
805 1 46 ARG H 1 46 ARG QG . . 4.040 4.053 3.906 4.095 0.055 6 0 "[ . 1 . 2]" 1
806 1 45 ILE MG 1 46 ARG H . . 3.760 2.984 2.871 3.224 . 0 0 "[ . 1 . 2]" 1
807 1 45 ILE MD 1 46 ARG H . . 4.570 4.302 4.061 4.481 . 0 0 "[ . 1 . 2]" 1
808 1 45 ILE HG12 1 46 ARG H . . 5.010 5.036 4.935 5.069 0.059 20 0 "[ . 1 . 2]" 1
809 1 66 ASP H 1 67 GLU H . . 4.810 4.605 4.546 4.692 . 0 0 "[ . 1 . 2]" 1
810 1 10 GLN HA 1 11 ASN H . . 2.770 2.441 2.109 2.841 0.071 5 0 "[ . 1 . 2]" 1
811 1 66 ASP QB 1 67 GLU H . . 2.970 2.785 2.175 3.034 0.064 5 0 "[ . 1 . 2]" 1
812 1 67 GLU H 1 67 GLU HG2 . . 4.000 3.040 1.892 3.842 . 0 0 "[ . 1 . 2]" 1
813 1 67 GLU H 1 67 GLU HG3 . . 4.000 3.073 2.275 4.067 0.067 12 0 "[ . 1 . 2]" 1
814 1 67 GLU H 1 67 GLU QB . . 2.590 2.386 2.078 2.621 0.031 20 0 "[ . 1 . 2]" 1
815 1 33 VAL H 1 34 GLN H . . 2.870 2.902 2.829 2.936 0.066 15 0 "[ . 1 . 2]" 1
816 1 31 GLU H 1 33 VAL H . . 4.960 4.822 4.670 4.946 . 0 0 "[ . 1 . 2]" 1
817 1 32 THR H 1 33 VAL H . . 3.160 3.070 2.996 3.125 . 0 0 "[ . 1 . 2]" 1
818 1 32 THR HB 1 33 VAL H . . 2.880 2.389 2.214 2.566 . 0 0 "[ . 1 . 2]" 1
819 1 33 VAL H 1 33 VAL HB . . 2.730 2.604 2.439 2.751 0.021 12 0 "[ . 1 . 2]" 1
820 1 33 VAL H 1 55 VAL HB . . 5.400 5.464 5.457 5.477 0.077 15 0 "[ . 1 . 2]" 1
821 1 33 VAL H 1 33 VAL MG1 . . 3.790 3.832 3.793 3.851 0.061 16 0 "[ . 1 . 2]" 1
822 1 33 VAL H 1 55 VAL MG2 . . 4.060 3.380 3.196 3.596 . 0 0 "[ . 1 . 2]" 1
823 1 33 VAL H 1 33 VAL MG2 . . 3.790 2.085 1.974 2.264 . 0 0 "[ . 1 . 2]" 1
824 1 46 ARG H 1 49 LEU H . . 5.220 4.821 4.728 4.907 . 0 0 "[ . 1 . 2]" 1
825 1 47 TYR HA 1 49 LEU H . . 5.150 4.566 4.428 4.739 . 0 0 "[ . 1 . 2]" 1
826 1 48 SER HB2 1 49 LEU H . . 4.050 3.161 2.228 3.879 . 0 0 "[ . 1 . 2]" 1
827 1 48 SER HB3 1 49 LEU H . . 4.050 3.431 2.387 4.099 0.049 19 0 "[ . 1 . 2]" 1
828 1 46 ARG HA 1 49 LEU H . . 4.100 3.626 3.465 3.840 . 0 0 "[ . 1 . 2]" 1
829 1 45 ILE HA 1 49 LEU H . . 4.110 3.854 3.693 3.960 . 0 0 "[ . 1 . 2]" 1
830 1 29 MET ME 1 49 LEU H . . 5.500 5.382 5.187 5.538 0.038 1 0 "[ . 1 . 2]" 1
831 1 49 LEU H 1 50 GLU HB2 . . 5.500 4.897 4.705 5.028 . 0 0 "[ . 1 . 2]" 1
832 1 49 LEU H 1 49 LEU HB2 . . 2.780 2.478 2.417 2.553 . 0 0 "[ . 1 . 2]" 1
833 1 49 LEU H 1 49 LEU HG . . 2.710 2.243 2.131 2.436 . 0 0 "[ . 1 . 2]" 1
834 1 46 ARG QG 1 49 LEU H . . 5.500 5.244 5.063 5.486 . 0 0 "[ . 1 . 2]" 1
835 1 49 LEU H 1 49 LEU HB3 . . 3.730 3.582 3.546 3.620 . 0 0 "[ . 1 . 2]" 1
836 1 49 LEU H 1 52 THR MG . . 5.500 4.710 4.600 4.784 . 0 0 "[ . 1 . 2]" 1
837 1 45 ILE MG 1 49 LEU H . . 4.540 3.799 3.644 3.922 . 0 0 "[ . 1 . 2]" 1
838 1 49 LEU H 1 49 LEU MD1 . . 4.450 3.391 3.198 3.519 . 0 0 "[ . 1 . 2]" 1
839 1 40 LEU H 1 41 HIS H . . 4.590 4.577 4.479 4.637 0.047 18 0 "[ . 1 . 2]" 1
840 1 39 ASN H 1 40 LEU H . . 2.780 2.583 2.213 2.840 0.060 4 0 "[ . 1 . 2]" 1
841 1 40 LEU H 1 62 TYR QE . . 4.900 4.448 3.968 4.962 0.062 9 0 "[ . 1 . 2]" 1
842 1 39 ASN HA 1 40 LEU H . . 3.480 3.341 3.037 3.526 0.046 15 0 "[ . 1 . 2]" 1
843 1 34 GLN HA 1 40 LEU H . . 5.470 4.757 4.554 4.917 . 0 0 "[ . 1 . 2]" 1
844 1 38 PRO HD2 1 40 LEU H . . 5.500 5.149 4.864 5.465 . 0 0 "[ . 1 . 2]" 1
845 1 39 ASN QB 1 40 LEU H . . 3.940 3.437 2.980 3.827 . 0 0 "[ . 1 . 2]" 1
846 1 38 PRO QG 1 40 LEU H . . 5.160 5.094 4.917 5.220 0.060 9 0 "[ . 1 . 2]" 1
847 1 40 LEU H 1 40 LEU HB2 . . 2.790 2.385 2.255 2.601 . 0 0 "[ . 1 . 2]" 1
848 1 40 LEU H 1 40 LEU HG . . 3.660 3.028 2.702 3.523 . 0 0 "[ . 1 . 2]" 1
849 1 40 LEU H 1 40 LEU HB3 . . 3.710 3.617 3.528 3.740 0.030 4 0 "[ . 1 . 2]" 1
850 1 40 LEU H 1 40 LEU MD2 . . 4.130 3.858 3.691 4.109 . 0 0 "[ . 1 . 2]" 1
851 1 37 ALA MB 1 40 LEU H . . 3.860 3.416 2.781 3.860 . 0 0 "[ . 1 . 2]" 1
852 1 40 LEU H 1 40 LEU MD1 . . 4.500 3.998 3.764 4.341 . 0 0 "[ . 1 . 2]" 1
853 1 31 GLU H 1 34 GLN H . . 4.980 4.795 4.717 4.906 . 0 0 "[ . 1 . 2]" 1
854 1 31 GLU H 1 32 THR HB . . 5.270 5.162 4.931 5.319 0.049 18 0 "[ . 1 . 2]" 1
855 1 28 GLN HA 1 31 GLU H . . 4.050 3.522 3.336 3.673 . 0 0 "[ . 1 . 2]" 1
856 1 31 GLU H 1 31 GLU HA . . 2.930 2.849 2.828 2.875 . 0 0 "[ . 1 . 2]" 1
857 1 31 GLU H 1 31 GLU HG2 . . 3.640 2.197 1.886 2.685 . 0 0 "[ . 1 . 2]" 1
858 1 30 VAL HB 1 31 GLU H . . 2.740 2.424 2.295 2.542 . 0 0 "[ . 1 . 2]" 1
859 1 31 GLU H 1 31 GLU QB . . 3.010 2.795 2.609 2.986 . 0 0 "[ . 1 . 2]" 1
860 1 27 THR MG 1 31 GLU H . . 4.140 3.871 3.411 4.197 0.057 2 0 "[ . 1 . 2]" 1
861 1 30 VAL MG1 1 31 GLU H . . 4.110 3.497 3.374 3.609 . 0 0 "[ . 1 . 2]" 1
862 1 55 VAL H 1 58 THR H . . 5.150 4.850 4.725 5.035 . 0 0 "[ . 1 . 2]" 1
863 1 58 THR H 1 59 VAL H . . 2.860 2.715 2.628 2.821 . 0 0 "[ . 1 . 2]" 1
864 1 58 THR H 1 60 GLU H . . 4.300 4.142 4.046 4.233 . 0 0 "[ . 1 . 2]" 1
865 1 58 THR H 1 58 THR HB . . 2.750 2.570 2.432 2.663 . 0 0 "[ . 1 . 2]" 1
866 1 55 VAL HA 1 58 THR H . . 3.650 3.488 3.287 3.635 . 0 0 "[ . 1 . 2]" 1
867 1 57 GLU QG 1 58 THR H . . 3.750 3.583 3.370 3.795 0.045 1 0 "[ . 1 . 2]" 1
868 1 57 GLU HB2 1 58 THR H . . 4.080 3.886 3.713 3.988 . 0 0 "[ . 1 . 2]" 1
869 1 57 GLU HB3 1 58 THR H . . 3.080 2.600 2.370 2.722 . 0 0 "[ . 1 . 2]" 1
870 1 58 THR H 1 58 THR MG . . 3.870 3.714 3.673 3.856 . 0 0 "[ . 1 . 2]" 1
871 1 52 THR MG 1 58 THR H . . 3.680 3.580 3.285 3.753 0.073 10 0 "[ . 1 . 2]" 1
872 1 61 ARG H 1 63 LEU H . . 4.560 4.370 4.171 4.524 . 0 0 "[ . 1 . 2]" 1
873 1 59 VAL H 1 61 ARG H . . 4.200 4.104 4.004 4.232 0.032 13 0 "[ . 1 . 2]" 1
874 1 61 ARG H 1 61 ARG HE . . 5.450 4.829 4.556 5.120 . 0 0 "[ . 1 . 2]" 1
875 1 61 ARG H 1 64 ARG H . . 5.500 4.838 4.622 5.079 . 0 0 "[ . 1 . 2]" 1
876 1 61 ARG H 1 68 PHE HZ . . 4.390 4.425 4.267 4.455 0.065 10 0 "[ . 1 . 2]" 1
877 1 57 GLU HA 1 61 ARG H . . 4.200 4.034 3.870 4.202 0.002 14 0 "[ . 1 . 2]" 1
878 1 59 VAL HA 1 61 ARG H . . 4.470 4.402 4.253 4.526 0.056 13 0 "[ . 1 . 2]" 1
879 1 61 ARG H 1 62 TYR HB3 . . 4.580 4.290 4.164 4.453 . 0 0 "[ . 1 . 2]" 1
880 1 61 ARG H 1 61 ARG HD3 . . 4.330 4.305 3.852 4.373 0.043 7 0 "[ . 1 . 2]" 1
881 1 61 ARG H 1 61 ARG HD2 . . 3.860 3.575 3.133 3.694 . 0 0 "[ . 1 . 2]" 1
882 1 61 ARG H 1 66 ASP QB . . 5.120 5.035 4.839 5.175 0.055 8 0 "[ . 1 . 2]" 1
883 1 61 ARG H 1 61 ARG HG2 . . 2.660 1.929 1.871 1.994 . 0 0 "[ . 1 . 2]" 1
884 1 61 ARG H 1 61 ARG HB2 . . 3.710 3.638 3.588 3.679 . 0 0 "[ . 1 . 2]" 1
885 1 61 ARG H 1 61 ARG HG3 . . 3.500 3.317 3.201 3.444 . 0 0 "[ . 1 . 2]" 1
886 1 58 THR MG 1 61 ARG H . . 5.220 4.998 4.795 5.118 . 0 0 "[ . 1 . 2]" 1
887 1 61 ARG H 1 63 LEU HG . . 4.770 4.465 4.296 4.621 . 0 0 "[ . 1 . 2]" 1
888 1 61 ARG H 1 63 LEU QD . . 5.130 4.560 4.421 4.690 . 0 0 "[ . 1 . 2]" 1
889 1 25 VAL H 1 26 THR H . . 4.580 4.485 4.403 4.556 . 0 0 "[ . 1 . 2]" 1
890 1 26 THR H 1 28 GLN H . . 4.900 4.890 4.735 4.962 0.062 20 0 "[ . 1 . 2]" 1
891 1 25 VAL HA 1 26 THR H . . 2.570 2.347 2.054 2.474 . 0 0 "[ . 1 . 2]" 1
892 1 26 THR H 1 27 THR HA . . 5.500 5.227 4.904 5.492 . 0 0 "[ . 1 . 2]" 1
893 1 26 THR H 1 29 MET HA . . 5.500 5.309 5.193 5.434 . 0 0 "[ . 1 . 2]" 1
894 1 25 VAL HB 1 26 THR H . . 4.210 2.546 2.271 2.883 . 0 0 "[ . 1 . 2]" 1
895 1 25 VAL MG1 1 26 THR H . . 4.460 3.842 3.585 4.123 . 0 0 "[ . 1 . 2]" 1
896 1 34 GLN H 1 36 LEU H . . 4.280 4.297 4.197 4.341 0.061 7 0 "[ . 1 . 2]" 1
897 1 34 GLN HA 1 36 LEU H . . 4.610 4.384 4.216 4.514 . 0 0 "[ . 1 . 2]" 1
898 1 33 VAL HA 1 36 LEU H . . 3.560 3.504 3.342 3.617 0.057 5 0 "[ . 1 . 2]" 1
899 1 35 ASN HB2 1 36 LEU H . . 3.430 2.624 2.410 2.855 . 0 0 "[ . 1 . 2]" 1
900 1 36 LEU H 1 36 LEU HB2 . . 2.800 2.607 2.440 2.700 . 0 0 "[ . 1 . 2]" 1
901 1 36 LEU H 1 36 LEU HB3 . . 3.740 3.655 3.542 3.701 . 0 0 "[ . 1 . 2]" 1
902 1 32 THR MG 1 36 LEU H . . 4.570 4.391 4.192 4.535 . 0 0 "[ . 1 . 2]" 1
903 1 36 LEU H 1 36 LEU MD1 . . 4.350 3.821 3.294 4.015 . 0 0 "[ . 1 . 2]" 1
904 1 36 LEU H 1 37 ALA MB . . 4.590 4.253 4.073 4.465 . 0 0 "[ . 1 . 2]" 1
905 1 30 VAL H 1 31 GLU H . . 2.880 2.864 2.742 2.938 0.058 8 0 "[ . 1 . 2]" 1
906 1 29 MET H 1 30 VAL H . . 2.830 2.583 2.483 2.755 . 0 0 "[ . 1 . 2]" 1
907 1 28 GLN HA 1 30 VAL H . . 5.080 4.392 4.131 4.590 . 0 0 "[ . 1 . 2]" 1
908 1 27 THR HA 1 30 VAL H . . 3.860 3.480 3.118 3.778 . 0 0 "[ . 1 . 2]" 1
909 1 29 MET HG2 1 30 VAL H . . 5.170 5.073 4.896 5.191 0.021 19 0 "[ . 1 . 2]" 1
910 1 29 MET HG3 1 30 VAL H . . 5.170 4.402 4.318 4.609 . 0 0 "[ . 1 . 2]" 1
911 1 28 GLN QG 1 30 VAL H . . 4.730 4.442 4.288 4.654 . 0 0 "[ . 1 . 2]" 1
912 1 30 VAL H 1 31 GLU HG2 . . 5.220 4.427 4.068 4.918 . 0 0 "[ . 1 . 2]" 1
913 1 30 VAL H 1 30 VAL HB . . 3.290 2.726 2.659 2.824 . 0 0 "[ . 1 . 2]" 1
914 1 25 VAL HB 1 30 VAL H . . 5.500 4.856 4.541 5.062 . 0 0 "[ . 1 . 2]" 1
915 1 30 VAL H 1 31 GLU QB . . 5.500 5.351 5.202 5.470 . 0 0 "[ . 1 . 2]" 1
916 1 27 THR MG 1 30 VAL H . . 4.920 4.614 4.132 4.951 0.031 2 0 "[ . 1 . 2]" 1
917 1 55 VAL H 1 56 GLU H . . 2.890 2.658 2.518 2.959 0.069 10 0 "[ . 1 . 2]" 1
918 1 56 GLU H 1 57 GLU H . . 2.950 2.976 2.918 3.013 0.063 6 0 "[ . 1 . 2]" 1
919 1 54 SER HA 1 56 GLU H . . 4.200 4.138 3.909 4.248 0.048 6 0 "[ . 1 . 2]" 1
920 1 56 GLU H 1 57 GLU HA . . 5.500 5.527 5.454 5.558 0.058 18 0 "[ . 1 . 2]" 1
921 1 56 GLU H 1 58 THR HB . . 5.500 5.210 5.126 5.409 . 0 0 "[ . 1 . 2]" 1
922 1 56 GLU H 1 56 GLU HA . . 2.910 2.739 2.689 2.798 . 0 0 "[ . 1 . 2]" 1
923 1 56 GLU H 1 56 GLU HG2 . . 3.720 2.597 2.347 3.495 . 0 0 "[ . 1 . 2]" 1
924 1 56 GLU H 1 56 GLU HG3 . . 3.720 3.629 2.243 3.785 0.065 7 0 "[ . 1 . 2]" 1
925 1 56 GLU H 1 56 GLU QB . . 2.590 2.186 2.056 2.358 . 0 0 "[ . 1 . 2]" 1
926 1 55 VAL MG1 1 56 GLU H . . 4.100 3.211 2.951 3.464 . 0 0 "[ . 1 . 2]" 1
927 1 55 VAL MG2 1 56 GLU H . . 4.100 3.825 3.683 3.952 . 0 0 "[ . 1 . 2]" 1
928 1 43 GLU H 1 44 GLN H . . 2.980 2.512 2.358 2.634 . 0 0 "[ . 1 . 2]" 1
929 1 44 GLN H 1 46 ARG H . . 4.920 4.680 4.475 4.917 . 0 0 "[ . 1 . 2]" 1
930 1 41 HIS HE1 1 44 GLN H . . 4.910 4.733 4.345 4.958 0.048 14 0 "[ . 1 . 2]" 1
931 1 44 GLN H 1 45 ILE H . . 2.740 2.712 2.589 2.781 0.041 12 0 "[ . 1 . 2]" 1
932 1 41 HIS HB2 1 44 GLN H . . 4.060 4.117 4.102 4.128 0.068 16 0 "[ . 1 . 2]" 1
933 1 44 GLN H 1 45 ILE HA . . 5.390 5.310 5.196 5.377 . 0 0 "[ . 1 . 2]" 1
934 1 41 HIS HB3 1 44 GLN H . . 3.300 2.389 2.361 2.446 . 0 0 "[ . 1 . 2]" 1
935 1 44 GLN H 1 44 GLN HB2 . . 2.900 2.502 2.385 2.604 . 0 0 "[ . 1 . 2]" 1
936 1 43 GLU HB3 1 44 GLN H . . 3.670 2.904 2.598 3.306 . 0 0 "[ . 1 . 2]" 1
937 1 43 GLU HB2 1 44 GLN H . . 3.650 3.451 2.832 3.699 0.049 14 0 "[ . 1 . 2]" 1
938 1 44 GLN H 1 44 GLN HB3 . . 3.680 3.629 3.598 3.658 . 0 0 "[ . 1 . 2]" 1
939 1 44 GLN H 1 45 ILE HG13 . . 4.550 4.395 4.129 4.601 0.051 15 0 "[ . 1 . 2]" 1
940 1 44 GLN H 1 44 GLN HG2 . . 3.930 3.602 3.491 3.733 . 0 0 "[ . 1 . 2]" 1
941 1 44 GLN H 1 44 GLN HG3 . . 3.350 2.359 2.185 2.514 . 0 0 "[ . 1 . 2]" 1
942 1 44 GLN H 1 45 ILE MD . . 5.210 4.950 4.754 5.122 . 0 0 "[ . 1 . 2]" 1
943 1 46 ARG H 1 47 TYR H . . 3.310 3.053 2.937 3.166 . 0 0 "[ . 1 . 2]" 1
944 1 47 TYR H 1 49 LEU H . . 4.540 4.280 4.100 4.419 . 0 0 "[ . 1 . 2]" 1
945 1 47 TYR H 1 48 SER H . . 2.990 2.669 2.531 2.813 . 0 0 "[ . 1 . 2]" 1
946 1 47 TYR H 1 70 PHE HA . . 5.500 5.184 4.905 5.513 0.013 11 0 "[ . 1 . 2]" 1
947 1 44 GLN HA 1 47 TYR H . . 3.860 3.624 3.527 3.785 . 0 0 "[ . 1 . 2]" 1
948 1 47 TYR H 1 47 TYR HB2 . . 2.690 2.361 2.233 2.494 . 0 0 "[ . 1 . 2]" 1
949 1 47 TYR H 1 47 TYR HB3 . . 2.830 2.605 2.475 2.796 . 0 0 "[ . 1 . 2]" 1
950 1 46 ARG QB 1 47 TYR H . . 2.880 2.793 2.404 2.940 0.060 10 0 "[ . 1 . 2]" 1
951 1 46 ARG QG 1 47 TYR H . . 4.090 3.888 3.628 4.070 . 0 0 "[ . 1 . 2]" 1
952 1 45 ILE MG 1 47 TYR H . . 5.500 4.944 4.835 5.077 . 0 0 "[ . 1 . 2]" 1
953 1 26 THR HA 1 27 THR H . . 3.190 2.417 2.326 2.571 . 0 0 "[ . 1 . 2]" 1
954 1 26 THR HB 1 27 THR H . . 3.520 2.650 2.398 2.854 . 0 0 "[ . 1 . 2]" 1
955 1 27 THR H 1 27 THR HB . . 3.840 2.564 2.327 2.795 . 0 0 "[ . 1 . 2]" 1
956 1 26 THR MG 1 27 THR H . . 4.200 3.460 3.159 3.666 . 0 0 "[ . 1 . 2]" 1
957 1 27 THR H 1 27 THR MG . . 4.770 3.663 3.511 3.741 . 0 0 "[ . 1 . 2]" 1
958 1 31 GLU H 1 32 THR H . . 2.810 2.845 2.794 2.874 0.064 20 0 "[ . 1 . 2]" 1
959 1 29 MET H 1 32 THR H . . 5.070 4.791 4.641 4.882 . 0 0 "[ . 1 . 2]" 1
960 1 30 VAL H 1 32 THR H . . 4.600 4.171 4.031 4.323 . 0 0 "[ . 1 . 2]" 1
961 1 32 THR H 1 32 THR HB . . 2.890 2.608 2.369 2.815 . 0 0 "[ . 1 . 2]" 1
962 1 28 GLN HA 1 32 THR H . . 4.330 3.897 3.731 4.064 . 0 0 "[ . 1 . 2]" 1
963 1 32 THR H 1 32 THR HA . . 2.900 2.827 2.798 2.868 . 0 0 "[ . 1 . 2]" 1
964 1 30 VAL HA 1 32 THR H . . 4.880 4.522 4.415 4.633 . 0 0 "[ . 1 . 2]" 1
965 1 31 GLU HG2 1 32 THR H . . 5.050 3.588 3.355 3.859 . 0 0 "[ . 1 . 2]" 1
966 1 31 GLU QB 1 32 THR H . . 3.420 3.480 3.427 3.501 0.081 15 0 "[ . 1 . 2]" 1
967 1 32 THR H 1 32 THR MG . . 3.870 3.804 3.748 3.840 . 0 0 "[ . 1 . 2]" 1
968 1 32 THR H 1 55 VAL MG1 . . 5.500 4.463 4.254 4.623 . 0 0 "[ . 1 . 2]" 1
969 1 32 THR H 1 55 VAL MG2 . . 5.500 4.361 4.176 4.634 . 0 0 "[ . 1 . 2]" 1
970 1 63 LEU H 1 64 ARG H . . 3.010 2.794 2.709 2.841 . 0 0 "[ . 1 . 2]" 1
971 1 62 TYR H 1 64 ARG H . . 4.040 3.954 3.868 4.096 0.056 11 0 "[ . 1 . 2]" 1
972 1 61 ARG HA 1 64 ARG H . . 3.770 3.373 3.106 3.594 . 0 0 "[ . 1 . 2]" 1
973 1 64 ARG H 1 64 ARG QD . . 4.490 4.121 3.682 4.512 0.022 19 0 "[ . 1 . 2]" 1
974 1 64 ARG H 1 64 ARG HB3 . . 2.740 2.356 2.143 2.785 0.045 1 0 "[ . 1 . 2]" 1
975 1 63 LEU HB2 1 64 ARG H . . 4.100 4.141 4.047 4.171 0.071 2 0 "[ . 1 . 2]" 1
976 1 63 LEU HG 1 64 ARG H . . 4.600 2.937 2.583 3.244 . 0 0 "[ . 1 . 2]" 1
977 1 63 LEU QD 1 64 ARG H . . 4.780 2.752 2.520 3.001 . 0 0 "[ . 1 . 2]" 1
978 1 51 ASN H 1 52 THR H . . 2.770 2.684 2.615 2.763 . 0 0 "[ . 1 . 2]" 1
979 1 51 ASN H 1 53 GLY H . . 3.920 3.967 3.918 3.995 0.075 11 0 "[ . 1 . 2]" 1
980 1 50 GLU H 1 51 ASN H . . 2.900 2.516 2.379 2.602 . 0 0 "[ . 1 . 2]" 1
981 1 51 ASN H 1 51 ASN HD21 . . 3.730 2.462 2.260 2.713 . 0 0 "[ . 1 . 2]" 1
982 1 51 ASN H 1 51 ASN HD22 . . 4.240 3.979 3.809 4.162 . 0 0 "[ . 1 . 2]" 1
983 1 47 TYR HA 1 51 ASN H . . 4.660 4.347 4.233 4.456 . 0 0 "[ . 1 . 2]" 1
984 1 48 SER HA 1 51 ASN H . . 3.960 3.376 3.102 3.605 . 0 0 "[ . 1 . 2]" 1
985 1 51 ASN H 1 51 ASN HB2 . . 2.800 2.351 2.296 2.405 . 0 0 "[ . 1 . 2]" 1
986 1 50 GLU HB2 1 51 ASN H . . 3.380 2.856 2.674 3.058 . 0 0 "[ . 1 . 2]" 1
987 1 50 GLU HB3 1 51 ASN H . . 3.520 3.571 3.419 3.592 0.072 11 0 "[ . 1 . 2]" 1
988 1 51 ASN H 1 52 THR MG . . 4.010 4.064 3.972 4.085 0.075 11 0 "[ . 1 . 2]" 1
989 1 34 GLN H 1 35 ASN H . . 3.030 2.946 2.875 3.040 0.010 8 0 "[ . 1 . 2]" 1
990 1 32 THR H 1 35 ASN H . . 5.060 4.744 4.677 4.833 . 0 0 "[ . 1 . 2]" 1
991 1 35 ASN H 1 37 ALA H . . 4.160 3.941 3.815 4.051 . 0 0 "[ . 1 . 2]" 1
992 1 35 ASN H 1 36 LEU H . . 2.930 2.656 2.465 2.752 . 0 0 "[ . 1 . 2]" 1
993 1 31 GLU HA 1 35 ASN H . . 4.310 3.758 3.575 3.942 . 0 0 "[ . 1 . 2]" 1
994 1 32 THR HA 1 35 ASN H . . 4.500 3.581 3.445 3.733 . 0 0 "[ . 1 . 2]" 1
995 1 33 VAL HA 1 35 ASN H . . 4.820 4.518 4.351 4.656 . 0 0 "[ . 1 . 2]" 1
996 1 35 ASN H 1 35 ASN HB2 . . 2.670 2.444 2.375 2.515 . 0 0 "[ . 1 . 2]" 1
997 1 34 GLN HG3 1 35 ASN H . . 4.200 3.892 3.756 4.112 . 0 0 "[ . 1 . 2]" 1
998 1 34 GLN HG2 1 35 ASN H . . 4.950 4.615 4.416 4.785 . 0 0 "[ . 1 . 2]" 1
999 1 34 GLN HB3 1 35 ASN H . . 3.110 2.621 2.440 2.839 . 0 0 "[ . 1 . 2]" 1
1000 1 34 GLN HB2 1 35 ASN H . . 4.110 3.892 3.767 4.066 . 0 0 "[ . 1 . 2]" 1
1001 1 35 ASN H 1 36 LEU HG . . 4.960 4.365 4.080 4.543 . 0 0 "[ . 1 . 2]" 1
1002 1 35 ASN H 1 45 ILE MD . . 4.720 4.670 4.544 4.789 0.069 6 0 "[ . 1 . 2]" 1
1003 1 52 THR H 1 53 GLY H . . 2.740 2.537 2.361 2.742 0.002 5 0 "[ . 1 . 2]" 1
1004 1 23 HIS HD2 1 53 GLY H . . 4.420 3.733 2.979 4.466 0.046 18 0 "[ . 1 . 2]" 1
1005 1 53 GLY H 1 54 SER HA . . 4.990 5.005 4.892 5.060 0.070 10 0 "[ . 1 . 2]" 1
1006 1 49 LEU HA 1 53 GLY H . . 3.220 3.204 3.058 3.286 0.066 17 0 "[ . 1 . 2]" 1
1007 1 51 ASN HB2 1 53 GLY H . . 5.220 5.061 4.966 5.213 . 0 0 "[ . 1 . 2]" 1
1008 1 49 LEU HB2 1 53 GLY H . . 5.480 5.389 5.186 5.515 0.035 11 0 "[ . 1 . 2]" 1
1009 1 49 LEU HB3 1 53 GLY H . . 4.590 4.555 4.302 4.651 0.061 11 0 "[ . 1 . 2]" 1
1010 1 52 THR MG 1 53 GLY H . . 3.860 3.844 3.737 3.935 0.075 18 0 "[ . 1 . 2]" 1
1011 1 54 SER H 1 55 VAL H . . 4.240 4.283 4.204 4.306 0.066 9 0 "[ . 1 . 2]" 1
1012 1 53 GLY H 1 54 SER H . . 2.840 2.705 2.524 2.867 0.027 10 0 "[ . 1 . 2]" 1
1013 1 52 THR HB 1 54 SER H . . 3.130 2.950 2.755 3.119 . 0 0 "[ . 1 . 2]" 1
1014 1 54 SER H 1 57 GLU QG . . 4.840 4.444 4.040 4.719 . 0 0 "[ . 1 . 2]" 1
1015 1 29 MET ME 1 54 SER H . . 4.410 4.061 3.818 4.290 . 0 0 "[ . 1 . 2]" 1
1016 1 54 SER H 1 57 GLU HB2 . . 4.790 4.397 3.951 4.730 . 0 0 "[ . 1 . 2]" 1
1017 1 54 SER H 1 57 GLU HB3 . . 3.940 3.259 2.847 3.499 . 0 0 "[ . 1 . 2]" 1
1018 1 52 THR MG 1 54 SER H . . 4.370 4.197 4.004 4.319 . 0 0 "[ . 1 . 2]" 1
1019 1 39 ASN H 1 62 TYR QE . . 4.090 3.842 3.544 4.147 0.057 6 0 "[ . 1 . 2]" 1
1020 1 37 ALA HA 1 39 ASN H . . 3.710 3.210 3.022 3.379 . 0 0 "[ . 1 . 2]" 1
1021 1 38 PRO HD2 1 39 ASN H . . 3.470 2.967 2.711 3.213 . 0 0 "[ . 1 . 2]" 1
1022 1 38 PRO HD3 1 39 ASN H . . 4.120 4.020 3.851 4.163 0.043 9 0 "[ . 1 . 2]" 1
1023 1 39 ASN H 1 39 ASN QB . . 2.860 2.244 2.100 2.532 . 0 0 "[ . 1 . 2]" 1
1024 1 38 PRO HB2 1 39 ASN H . . 4.290 3.920 3.661 4.189 . 0 0 "[ . 1 . 2]" 1
1025 1 38 PRO QG 1 39 ASN H . . 3.250 2.970 2.583 3.303 0.053 13 0 "[ . 1 . 2]" 1
1026 1 39 ASN H 1 40 LEU HB2 . . 4.660 4.461 4.064 4.715 0.055 18 0 "[ . 1 . 2]" 1
1027 1 39 ASN H 1 40 LEU HG . . 4.440 4.132 3.698 4.475 0.035 15 0 "[ . 1 . 2]" 1
1028 1 37 ALA MB 1 39 ASN H . . 4.180 3.479 3.125 3.839 . 0 0 "[ . 1 . 2]" 1
1029 1 72 PRO HA 1 73 GLY H . . 3.170 2.240 2.098 2.331 . 0 0 "[ . 1 . 2]" 1
1030 1 46 ARG H 1 48 SER H . . 4.800 4.385 4.170 4.548 . 0 0 "[ . 1 . 2]" 1
1031 1 48 SER H 1 49 LEU H . . 2.960 2.698 2.562 2.819 . 0 0 "[ . 1 . 2]" 1
1032 1 46 ARG HE 1 48 SER H . . 5.500 5.569 5.550 5.581 0.081 2 0 "[ . 1 . 2]" 1
1033 1 47 TYR QD 1 48 SER H . . 4.410 4.099 3.538 4.415 0.005 15 0 "[ . 1 . 2]" 1
1034 1 46 ARG HA 1 48 SER H . . 5.000 4.502 4.297 4.690 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ILE HA 1 48 SER H . . 3.700 3.469 3.276 3.636 . 0 0 "[ . 1 . 2]" 1
1036 1 47 TYR HB2 1 48 SER H . . 3.690 3.742 3.712 3.754 0.064 16 0 "[ . 1 . 2]" 1
1037 1 47 TYR HB3 1 48 SER H . . 3.240 2.566 2.420 2.724 . 0 0 "[ . 1 . 2]" 1
1038 1 48 SER H 1 49 LEU HB2 . . 5.120 4.721 4.508 4.839 . 0 0 "[ . 1 . 2]" 1
1039 1 46 ARG QB 1 48 SER H . . 5.090 4.899 4.576 5.073 . 0 0 "[ . 1 . 2]" 1
1040 1 48 SER H 1 49 LEU HG . . 5.500 4.507 4.399 4.606 . 0 0 "[ . 1 . 2]" 1
1041 1 48 SER H 1 58 THR MG . . 5.080 4.537 4.387 4.943 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ILE MG 1 48 SER H . . 4.920 4.663 4.492 4.809 . 0 0 "[ . 1 . 2]" 1
1043 1 48 SER H 1 49 LEU MD1 . . 5.500 5.027 4.756 5.226 . 0 0 "[ . 1 . 2]" 1
1044 1 48 SER H 1 49 LEU MD2 . . 5.500 5.583 5.552 5.591 0.091 1 0 "[ . 1 . 2]" 1
1045 1 52 THR H 1 54 SER H . . 4.620 4.440 4.169 4.677 0.057 10 0 "[ . 1 . 2]" 1
1046 1 52 THR H 1 52 THR HA . . 2.870 2.860 2.816 2.903 0.033 12 0 "[ . 1 . 2]" 1
1047 1 52 THR H 1 53 GLY HA2 . . 5.460 4.752 4.573 4.960 . 0 0 "[ . 1 . 2]" 1
1048 1 51 ASN HB2 1 52 THR H . . 3.360 2.735 2.479 3.006 . 0 0 "[ . 1 . 2]" 1
1049 1 51 ASN HB3 1 52 THR H . . 3.450 3.349 3.117 3.498 0.048 15 0 "[ . 1 . 2]" 1
1050 1 52 THR H 1 52 THR MG . . 2.770 2.114 2.037 2.234 . 0 0 "[ . 1 . 2]" 1
1051 1 22 GLY H 1 23 HIS H . . 3.920 3.460 2.330 3.993 0.073 19 0 "[ . 1 . 2]" 1
1052 1 21 GLY H 1 22 GLY H . . 4.290 3.292 1.814 4.350 0.060 20 0 "[ . 1 . 2]" 1
1053 1 21 GLY QA 1 22 GLY H . . 3.060 2.505 2.161 3.028 . 0 0 "[ . 1 . 2]" 1
1054 1 62 TYR H 1 65 GLY H . . 5.170 5.003 4.909 5.203 0.033 11 0 "[ . 1 . 2]" 1
1055 1 64 ARG H 1 65 GLY H . . 2.740 2.418 2.159 2.546 . 0 0 "[ . 1 . 2]" 1
1056 1 65 GLY H 1 68 PHE QE . . 4.730 4.554 4.186 4.777 0.047 2 0 "[ . 1 . 2]" 1
1057 1 62 TYR HA 1 65 GLY H . . 3.850 3.485 3.366 3.555 . 0 0 "[ . 1 . 2]" 1
1058 1 65 GLY H 1 66 ASP QB . . 4.210 4.147 3.931 4.286 0.076 1 0 "[ . 1 . 2]" 1
1059 1 64 ARG HB2 1 65 GLY H . . 4.770 4.568 4.489 4.646 . 0 0 "[ . 1 . 2]" 1
1060 1 32 THR H 1 34 GLN H . . 4.230 4.229 4.121 4.286 0.056 12 0 "[ . 1 . 2]" 1
1061 1 32 THR HB 1 34 GLN H . . 4.940 4.983 4.870 5.009 0.069 11 0 "[ . 1 . 2]" 1
1062 1 31 GLU HA 1 34 GLN H . . 3.760 3.415 3.277 3.568 . 0 0 "[ . 1 . 2]" 1
1063 1 34 GLN H 1 35 ASN HB2 . . 5.100 5.065 4.916 5.146 0.046 8 0 "[ . 1 . 2]" 1
1064 1 34 GLN H 1 34 GLN HB3 . . 2.840 2.661 2.524 2.791 . 0 0 "[ . 1 . 2]" 1
1065 1 34 GLN H 1 34 GLN HB2 . . 2.720 2.434 2.299 2.499 . 0 0 "[ . 1 . 2]" 1
1066 1 33 VAL MG1 1 34 GLN H . . 4.340 3.392 3.084 3.617 . 0 0 "[ . 1 . 2]" 1
1067 1 34 GLN H 1 45 ILE MG . . 3.610 3.029 2.933 3.132 . 0 0 "[ . 1 . 2]" 1
1068 1 34 GLN H 1 49 LEU MD1 . . 5.500 5.011 4.863 5.564 0.064 8 0 "[ . 1 . 2]" 1
1069 1 34 GLN H 1 49 LEU MD2 . . 5.500 5.573 5.539 5.587 0.087 8 0 "[ . 1 . 2]" 1
1070 1 34 GLN H 1 45 ILE MD . . 3.090 2.529 2.339 2.650 . 0 0 "[ . 1 . 2]" 1
1071 1 39 ASN HA 1 39 ASN HD21 . . 2.820 2.588 1.991 2.885 0.065 18 0 "[ . 1 . 2]" 1
1072 1 39 ASN QB 1 39 ASN HD21 . . 3.080 2.705 2.540 3.034 . 0 0 "[ . 1 . 2]" 1
1073 1 39 ASN HA 1 39 ASN HD22 . . 3.680 3.688 3.471 3.743 0.063 11 0 "[ . 1 . 2]" 1
1074 1 39 ASN QB 1 39 ASN HD22 . . 3.500 3.478 3.434 3.557 0.057 1 0 "[ . 1 . 2]" 1
1075 1 35 ASN HA 1 35 ASN HD21 . . 4.520 4.137 3.755 4.466 . 0 0 "[ . 1 . 2]" 1
1076 1 32 THR HA 1 35 ASN HD21 . . 3.810 2.382 1.976 2.740 . 0 0 "[ . 1 . 2]" 1
1077 1 35 ASN HB2 1 35 ASN HD21 . . 3.270 2.276 2.181 2.349 . 0 0 "[ . 1 . 2]" 1
1078 1 35 ASN HD21 1 36 LEU HG . . 5.500 4.968 4.380 5.416 . 0 0 "[ . 1 . 2]" 1
1079 1 31 GLU HA 1 35 ASN HD22 . . 4.900 4.462 4.114 4.795 . 0 0 "[ . 1 . 2]" 1
1080 1 32 THR HA 1 35 ASN HD22 . . 5.130 3.891 3.398 4.083 . 0 0 "[ . 1 . 2]" 1
1081 1 35 ASN HB2 1 35 ASN HD22 . . 3.800 3.523 3.419 3.559 . 0 0 "[ . 1 . 2]" 1
1082 1 26 THR HB 1 28 GLN HE22 . . 3.240 3.114 2.772 3.301 0.061 20 0 "[ . 1 . 2]" 1
1083 1 26 THR HB 1 28 GLN HE21 . . 3.240 2.661 2.090 3.289 0.049 17 0 "[ . 1 . 2]" 1
1084 1 34 GLN HE21 1 38 PRO HA . . 3.270 2.534 2.313 2.921 . 0 0 "[ . 1 . 2]" 1
1085 1 34 GLN HB3 1 34 GLN HE21 . . 4.320 4.171 4.018 4.349 0.029 17 0 "[ . 1 . 2]" 1
1086 1 34 GLN HE21 1 40 LEU HB2 . . 4.620 3.450 3.337 3.539 . 0 0 "[ . 1 . 2]" 1
1087 1 34 GLN HE21 1 45 ILE MD . . 3.680 2.878 2.662 3.199 . 0 0 "[ . 1 . 2]" 1
1088 1 68 PHE H 1 69 SER H . . 5.100 3.937 3.862 4.060 . 0 0 "[ . 1 . 2]" 1
1089 1 64 ARG HE 1 64 ARG HG3 . . 4.030 2.731 2.211 3.620 . 0 0 "[ . 1 . 2]" 1
1090 1 61 ARG HA 1 64 ARG HE . . 4.980 4.516 3.870 5.022 0.042 14 0 "[ . 1 . 2]" 1
1091 1 57 GLU QG 1 61 ARG HE . . 4.740 3.852 3.231 4.377 . 0 0 "[ . 1 . 2]" 1
1092 1 61 ARG HE 1 61 ARG HG2 . . 4.090 3.675 3.567 3.753 . 0 0 "[ . 1 . 2]" 1
1093 1 52 THR MG 1 61 ARG HE . . 4.830 3.231 2.988 3.384 . 0 0 "[ . 1 . 2]" 1
1094 1 61 ARG HB2 1 61 ARG HE . . 5.040 2.627 2.458 3.021 . 0 0 "[ . 1 . 2]" 1
1095 1 52 THR HB 1 61 ARG HE . . 5.500 5.528 5.276 5.568 0.068 3 0 "[ . 1 . 2]" 1
1096 1 61 ARG HE 1 62 TYR H . . 5.500 5.574 5.558 5.581 0.081 10 0 "[ . 1 . 2]" 1
1097 1 46 ARG QB 1 46 ARG HE . . 4.570 3.700 2.384 4.098 . 0 0 "[ . 1 . 2]" 1
1098 1 46 ARG HE 1 71 PRO HB3 . . 4.820 3.075 1.878 4.276 . 0 0 "[ . 1 . 2]" 1
1099 1 46 ARG HE 1 47 TYR QE . . 5.500 5.469 5.237 5.576 0.076 11 0 "[ . 1 . 2]" 1
1100 1 25 VAL H 1 46 ARG QG . . 5.500 5.494 4.968 5.574 0.074 9 0 "[ . 1 . 2]" 1
1101 1 73 GLY H 1 75 GLU H . . 4.780 3.455 2.954 3.936 . 0 0 "[ . 1 . 2]" 1
1102 1 73 GLY H 1 75 GLU QG . . 5.500 4.458 2.595 5.569 0.069 3 0 "[ . 1 . 2]" 1
1103 1 70 PHE H 1 71 PRO HD3 . . 5.340 5.068 4.968 5.198 . 0 0 "[ . 1 . 2]" 1
1104 1 44 GLN HE21 1 70 PHE H . . 5.480 5.019 4.799 5.254 . 0 0 "[ . 1 . 2]" 1
1105 1 47 TYR QD 1 70 PHE H . . 4.970 4.156 3.774 4.727 . 0 0 "[ . 1 . 2]" 1
1106 1 44 GLN HG2 1 70 PHE H . . 4.850 4.236 3.941 4.515 . 0 0 "[ . 1 . 2]" 1
1107 1 47 TYR QE 1 69 SER H . . 5.030 4.554 3.682 5.096 0.066 11 0 "[ . 1 . 2]" 1
1108 1 68 PHE HB2 1 69 SER H . . 4.760 4.462 4.404 4.528 . 0 0 "[ . 1 . 2]" 1
1109 1 66 ASP H 1 68 PHE QD . . 4.940 4.487 4.196 4.929 . 0 0 "[ . 1 . 2]" 1
1110 1 63 LEU H 1 66 ASP H . . 5.500 5.493 5.398 5.554 0.054 17 0 "[ . 1 . 2]" 1
1111 1 62 TYR QD 1 65 GLY H . . 5.030 4.907 4.757 5.040 0.010 17 0 "[ . 1 . 2]" 1
1112 1 64 ARG QD 1 65 GLY H . . 5.050 4.617 4.005 5.042 . 0 0 "[ . 1 . 2]" 1
1113 1 63 LEU HG 1 65 GLY H . . 5.390 5.115 4.941 5.287 . 0 0 "[ . 1 . 2]" 1
1114 1 63 LEU QD 1 65 GLY H . . 5.500 4.476 4.333 4.612 . 0 0 "[ . 1 . 2]" 1
1115 1 32 THR H 1 35 ASN HB2 . . 5.500 5.376 5.147 5.538 0.038 14 0 "[ . 1 . 2]" 1
1116 1 62 TYR QD 1 64 ARG H . . 5.080 5.004 4.748 5.110 0.030 5 0 "[ . 1 . 2]" 1
1117 1 40 LEU MD1 1 62 TYR H . . 4.780 4.773 4.604 4.863 0.083 19 0 "[ . 1 . 2]" 1
1118 1 61 ARG H 1 62 TYR HA . . 5.380 5.121 5.050 5.245 . 0 0 "[ . 1 . 2]" 1
1119 1 60 GLU H 1 62 TYR HB3 . . 5.050 4.747 4.622 4.957 . 0 0 "[ . 1 . 2]" 1
1120 1 60 GLU H 1 61 ARG HG3 . . 5.500 5.565 5.552 5.570 0.070 8 0 "[ . 1 . 2]" 1
1121 1 58 THR H 1 61 ARG HD2 . . 5.110 4.308 3.974 4.473 . 0 0 "[ . 1 . 2]" 1
1122 1 49 LEU HA 1 55 VAL H . . 5.500 5.543 5.424 5.569 0.069 17 0 "[ . 1 . 2]" 1
1123 1 55 VAL H 1 58 THR HB . . 5.500 5.248 5.075 5.383 . 0 0 "[ . 1 . 2]" 1
1124 1 53 GLY H 1 57 GLU HB3 . . 5.320 5.200 4.854 5.374 0.054 6 0 "[ . 1 . 2]" 1
1125 1 29 MET ME 1 53 GLY H . . 4.800 4.433 4.168 4.572 . 0 0 "[ . 1 . 2]" 1
1126 1 52 THR H 1 57 GLU HB3 . . 5.500 5.548 5.507 5.566 0.066 15 0 "[ . 1 . 2]" 1
1127 1 50 GLU HB2 1 52 THR H . . 5.500 5.443 5.224 5.541 0.041 3 0 "[ . 1 . 2]" 1
1128 1 52 THR H 1 57 GLU QG . . 5.500 5.045 4.781 5.406 . 0 0 "[ . 1 . 2]" 1
1129 1 52 THR H 1 53 GLY HA3 . . 5.460 5.173 5.059 5.330 . 0 0 "[ . 1 . 2]" 1
1130 1 23 HIS HD2 1 52 THR H . . 5.500 4.846 4.125 5.562 0.062 3 0 "[ . 1 . 2]" 1
1131 1 46 ARG QD 1 50 GLU H . . 5.500 4.980 3.855 5.562 0.062 7 0 "[ . 1 . 2]" 1
1132 1 47 TYR H 1 50 GLU H . . 4.830 4.770 4.695 4.860 0.030 11 0 "[ . 1 . 2]" 1
1133 1 49 LEU H 1 51 ASN HD21 . . 5.500 5.357 5.221 5.544 0.044 8 0 "[ . 1 . 2]" 1
1134 1 47 TYR HB3 1 49 LEU H . . 5.310 5.092 4.881 5.270 . 0 0 "[ . 1 . 2]" 1
1135 1 49 LEU H 1 51 ASN HB2 . . 5.450 5.269 5.078 5.490 0.040 2 0 "[ . 1 . 2]" 1
1136 1 48 SER H 1 52 THR MG . . 5.500 5.523 5.414 5.579 0.079 13 0 "[ . 1 . 2]" 1
1137 1 46 ARG QG 1 48 SER H . . 5.500 5.529 5.367 5.580 0.080 11 0 "[ . 1 . 2]" 1
1138 1 44 GLN HB2 1 46 ARG H . . 5.500 5.376 5.117 5.559 0.059 11 0 "[ . 1 . 2]" 1
1139 1 43 GLU QG 1 46 ARG H . . 5.500 5.361 4.846 5.580 0.080 6 0 "[ . 1 . 2]" 1
1140 1 46 ARG H 1 47 TYR HB3 . . 5.500 5.369 5.234 5.513 0.013 11 0 "[ . 1 . 2]" 1
1141 1 43 GLU H 1 46 ARG H . . 5.500 5.234 4.933 5.550 0.050 3 0 "[ . 1 . 2]" 1
1142 1 45 ILE H 1 46 ARG HA . . 5.500 5.541 5.485 5.567 0.067 12 0 "[ . 1 . 2]" 1
1143 1 41 HIS HA 1 44 GLN H . . 4.860 4.742 4.660 4.803 . 0 0 "[ . 1 . 2]" 1
1144 1 44 GLN H 1 70 PHE QE . . 4.870 3.968 3.609 4.583 . 0 0 "[ . 1 . 2]" 1
1145 1 43 GLU H 1 70 PHE QD . . 5.330 5.085 4.854 5.390 0.060 15 0 "[ . 1 . 2]" 1
1146 1 43 GLU H 1 44 GLN HG3 . . 5.210 4.386 4.151 4.605 . 0 0 "[ . 1 . 2]" 1
1147 1 41 HIS H 1 43 GLU H . . 5.340 5.281 5.043 5.387 0.047 6 0 "[ . 1 . 2]" 1
1148 1 39 ASN H 1 40 LEU MD2 . . 5.440 5.130 4.753 5.501 0.061 11 0 "[ . 1 . 2]" 1
1149 1 37 ALA H 1 62 TYR QE . . 5.110 5.041 4.805 5.162 0.052 20 0 "[ . 1 . 2]" 1
1150 1 34 GLN H 1 37 ALA H . . 4.740 4.618 4.544 4.699 . 0 0 "[ . 1 . 2]" 1
1151 1 34 GLN HG3 1 37 ALA H . . 5.500 5.115 4.878 5.406 . 0 0 "[ . 1 . 2]" 1
1152 1 37 ALA H 1 40 LEU MD1 . . 4.920 4.894 4.746 4.995 0.075 8 0 "[ . 1 . 2]" 1
1153 1 32 THR HA 1 36 LEU H . . 4.990 4.311 4.191 4.424 . 0 0 "[ . 1 . 2]" 1
1154 1 32 THR MG 1 35 ASN H . . 5.040 4.866 4.695 5.012 . 0 0 "[ . 1 . 2]" 1
1155 1 34 GLN H 1 34 GLN HE21 . . 4.980 4.796 4.604 5.024 0.044 15 0 "[ . 1 . 2]" 1
1156 1 33 VAL H 1 34 GLN HA . . 5.500 5.469 5.433 5.507 0.007 5 0 "[ . 1 . 2]" 1
1157 1 33 VAL H 1 36 LEU HB2 . . 5.500 5.485 5.275 5.559 0.059 20 0 "[ . 1 . 2]" 1
1158 1 30 VAL H 1 32 THR HB . . 5.500 5.308 5.080 5.479 . 0 0 "[ . 1 . 2]" 1
1159 1 27 THR H 1 30 VAL H . . 5.340 5.175 5.056 5.251 . 0 0 "[ . 1 . 2]" 1
1160 1 26 THR H 1 27 THR H . . 4.780 4.453 4.400 4.588 . 0 0 "[ . 1 . 2]" 1
1161 1 24 PRO HD2 1 25 VAL H . . 5.500 5.529 5.444 5.558 0.058 17 0 "[ . 1 . 2]" 1
1162 1 25 VAL H 1 50 GLU HA . . 5.200 5.051 4.496 5.240 0.040 6 0 "[ . 1 . 2]" 1
1163 1 23 HIS H 1 50 GLU HG3 . . 5.500 5.233 4.598 5.557 0.057 19 0 "[ . 1 . 2]" 1
1164 1 23 HIS H 1 50 GLU HB2 . . 5.100 4.544 4.045 4.875 . 0 0 "[ . 1 . 2]" 1
1165 1 23 HIS H 1 50 GLU HG2 . . 5.500 4.009 3.166 5.054 . 0 0 "[ . 1 . 2]" 1
1166 1 22 GLY H 1 50 GLU HB3 . . 5.500 4.407 2.889 5.554 0.054 7 0 "[ . 1 . 2]" 1
1167 1 64 ARG HA 1 64 ARG HE . . 5.500 5.177 4.640 5.550 0.050 12 0 "[ . 1 . 2]" 1
1168 1 64 ARG HE 1 66 ASP HA . . 5.500 5.421 4.665 5.572 0.072 8 0 "[ . 1 . 2]" 1
1169 1 34 GLN HE22 1 41 HIS HA . . 4.520 3.958 3.563 4.276 . 0 0 "[ . 1 . 2]" 1
1170 1 48 SER HA 1 51 ASN HD21 . . 4.210 3.322 2.980 3.666 . 0 0 "[ . 1 . 2]" 1
1171 1 51 ASN HB2 1 51 ASN HD21 . . 3.420 2.445 2.338 2.753 . 0 0 "[ . 1 . 2]" 1
1172 1 50 GLU HB2 1 51 ASN HD21 . . 4.680 3.246 2.920 3.705 . 0 0 "[ . 1 . 2]" 1
1173 1 50 GLU HB3 1 51 ASN HD21 . . 4.860 4.171 3.548 4.542 . 0 0 "[ . 1 . 2]" 1
1174 1 20 ASN HA 1 20 ASN HD21 . . 2.790 2.431 2.140 2.854 0.064 12 0 "[ . 1 . 2]" 1
1175 1 34 GLN H 1 35 ASN HD21 . . 5.250 4.971 4.541 5.306 0.056 9 0 "[ . 1 . 2]" 1
1176 1 35 ASN HA 1 35 ASN HD22 . . 5.010 4.557 4.368 4.865 . 0 0 "[ . 1 . 2]" 1
1177 1 31 GLU HG3 1 35 ASN HD21 . . 5.410 4.330 4.155 4.500 . 0 0 "[ . 1 . 2]" 1
1178 1 31 GLU QB 1 35 ASN HD21 . . 4.750 3.083 2.812 3.543 . 0 0 "[ . 1 . 2]" 1
1179 1 31 GLU HG2 1 35 ASN HD22 . . 5.500 5.454 4.762 5.564 0.064 6 0 "[ . 1 . 2]" 1
1180 1 31 GLU HG3 1 35 ASN HD22 . . 5.030 4.556 4.166 4.869 . 0 0 "[ . 1 . 2]" 1
1181 1 31 GLU QB 1 35 ASN HD22 . . 4.860 2.696 2.390 2.942 . 0 0 "[ . 1 . 2]" 1
1182 1 32 THR MG 1 35 ASN HD21 . . 4.780 4.246 3.888 4.563 . 0 0 "[ . 1 . 2]" 1
1183 1 19 VAL QG 1 20 ASN HD22 . . 5.130 4.777 2.771 5.234 0.104 20 0 "[ . 1 . 2]" 1
1184 1 19 VAL QG 1 20 ASN HD21 . . 5.170 4.556 3.381 5.249 0.079 11 0 "[ . 1 . 2]" 1
1185 1 20 ASN H 1 20 ASN HD21 . . 5.340 3.848 2.395 4.793 . 0 0 "[ . 1 . 2]" 1
1186 1 26 THR MG 1 28 GLN HE22 . . 4.950 3.335 2.957 3.614 . 0 0 "[ . 1 . 2]" 1
1187 1 26 THR MG 1 28 GLN HE21 . . 4.950 3.754 2.548 4.570 . 0 0 "[ . 1 . 2]" 1
1188 1 27 THR HB 1 28 GLN HE22 . . 5.500 5.378 4.016 5.566 0.066 4 0 "[ . 1 . 2]" 1
1189 1 34 GLN HE22 1 40 LEU HB2 . . 4.250 3.227 3.027 3.427 . 0 0 "[ . 1 . 2]" 1
1190 1 34 GLN HE22 1 45 ILE MD . . 3.520 2.760 2.468 3.149 . 0 0 "[ . 1 . 2]" 1
1191 1 34 GLN HE21 1 37 ALA MB . . 4.930 3.877 3.700 4.287 . 0 0 "[ . 1 . 2]" 1
1192 1 34 GLN HE22 1 37 ALA MB . . 4.990 4.708 4.493 5.000 0.010 17 0 "[ . 1 . 2]" 1
1193 1 34 GLN HE22 1 34 GLN HG3 . . 3.710 3.679 3.553 3.747 0.037 14 0 "[ . 1 . 2]" 1
1194 1 34 GLN HA 1 34 GLN HE21 . . 3.100 2.089 1.923 2.379 . 0 0 "[ . 1 . 2]" 1
1195 1 34 GLN HE22 1 38 PRO HA . . 4.240 3.545 3.238 3.989 . 0 0 "[ . 1 . 2]" 1
1196 1 34 GLN HE21 1 34 GLN HG3 . . 3.200 2.663 2.411 2.819 . 0 0 "[ . 1 . 2]" 1
1197 1 34 GLN HE22 1 42 PRO QG . . 5.500 5.420 5.124 5.567 0.067 2 0 "[ . 1 . 2]" 1
1198 1 34 GLN HB2 1 34 GLN HE22 . . 4.350 4.191 4.089 4.324 . 0 0 "[ . 1 . 2]" 1
1199 1 34 GLN HB2 1 34 GLN HE21 . . 3.940 3.612 3.357 3.822 . 0 0 "[ . 1 . 2]" 1
1200 1 34 GLN HA 1 34 GLN HE22 . . 3.570 3.415 3.289 3.613 0.043 17 0 "[ . 1 . 2]" 1
1201 1 34 GLN HE22 1 40 LEU HB3 . . 4.570 4.077 3.881 4.235 . 0 0 "[ . 1 . 2]" 1
1202 1 34 GLN HE21 1 40 LEU HB3 . . 4.760 4.811 4.796 4.819 0.059 1 0 "[ . 1 . 2]" 1
1203 1 27 THR HB 1 28 GLN HE21 . . 5.500 4.057 3.225 5.253 . 0 0 "[ . 1 . 2]" 1
1204 1 28 GLN HB2 1 28 GLN HE22 . . 5.390 4.712 4.559 5.106 . 0 0 "[ . 1 . 2]" 1
1205 1 41 HIS H 1 44 GLN HE21 . . 5.030 5.048 4.903 5.093 0.063 15 0 "[ . 1 . 2]" 1
1206 1 41 HIS H 1 44 GLN HE22 . . 4.610 4.406 4.200 4.659 0.049 15 0 "[ . 1 . 2]" 1
1207 1 44 GLN HE21 1 69 SER H . . 5.290 4.138 4.013 4.283 . 0 0 "[ . 1 . 2]" 1
1208 1 44 GLN HE22 1 69 SER H . . 5.500 5.522 5.379 5.567 0.067 2 0 "[ . 1 . 2]" 1
1209 1 44 GLN HE22 1 70 PHE QD . . 4.890 4.840 4.518 4.962 0.072 14 0 "[ . 1 . 2]" 1
1210 1 44 GLN HE21 1 68 PHE HA . . 4.590 4.047 3.885 4.211 . 0 0 "[ . 1 . 2]" 1
1211 1 44 GLN HE21 1 69 SER HA . . 4.950 3.689 3.479 4.051 . 0 0 "[ . 1 . 2]" 1
1212 1 44 GLN HE22 1 69 SER HA . . 4.910 4.946 4.649 4.977 0.067 7 0 "[ . 1 . 2]" 1
1213 1 44 GLN HA 1 44 GLN HE21 . . 4.740 4.438 4.237 4.725 . 0 0 "[ . 1 . 2]" 1
1214 1 40 LEU HA 1 44 GLN HE22 . . 5.490 4.953 4.549 5.418 . 0 0 "[ . 1 . 2]" 1
1215 1 44 GLN HE21 1 68 PHE HB2 . . 3.330 2.930 2.512 3.163 . 0 0 "[ . 1 . 2]" 1
1216 1 44 GLN HE21 1 68 PHE HB3 . . 3.590 2.294 2.029 2.559 . 0 0 "[ . 1 . 2]" 1
1217 1 44 GLN HB2 1 44 GLN HE21 . . 4.480 3.740 3.414 4.100 . 0 0 "[ . 1 . 2]" 1
1218 1 44 GLN HE22 1 68 PHE HB2 . . 3.540 2.759 2.554 2.996 . 0 0 "[ . 1 . 2]" 1
1219 1 44 GLN HE22 1 68 PHE HB3 . . 3.940 2.983 2.772 3.166 . 0 0 "[ . 1 . 2]" 1
1220 1 44 GLN HB2 1 44 GLN HE22 . . 4.720 4.266 3.999 4.543 . 0 0 "[ . 1 . 2]" 1
1221 1 44 GLN HB3 1 44 GLN HE22 . . 4.320 3.834 3.612 4.109 . 0 0 "[ . 1 . 2]" 1
1222 1 44 GLN HE22 1 44 GLN HG2 . . 3.780 3.579 3.484 3.670 . 0 0 "[ . 1 . 2]" 1
1223 1 40 LEU MD2 1 44 GLN HE22 . . 3.590 3.397 3.088 3.628 0.038 16 0 "[ . 1 . 2]" 1
1224 1 44 GLN HB3 1 44 GLN HE21 . . 4.030 2.722 2.303 3.185 . 0 0 "[ . 1 . 2]" 1
1225 1 44 GLN HE21 1 44 GLN HG2 . . 3.030 2.396 2.189 2.617 . 0 0 "[ . 1 . 2]" 1
1226 1 40 LEU MD2 1 44 GLN HE21 . . 4.060 4.081 3.872 4.133 0.073 18 0 "[ . 1 . 2]" 1
1227 1 40 LEU MD1 1 44 GLN HE22 . . 5.500 5.376 5.030 5.576 0.076 16 0 "[ . 1 . 2]" 1
1228 1 24 PRO HD3 1 25 VAL H . . 5.500 5.548 5.382 5.567 0.067 7 0 "[ . 1 . 2]" 1
1229 1 19 VAL HB 1 20 ASN H . . 5.500 3.843 2.335 4.540 . 0 0 "[ . 1 . 2]" 1
1230 1 19 VAL QG 1 20 ASN H . . 5.440 2.692 1.872 3.788 . 0 0 "[ . 1 . 2]" 1
1231 1 20 ASN H 1 20 ASN HD22 . . 5.180 4.442 3.573 5.231 0.051 7 0 "[ . 1 . 2]" 1
1232 1 27 THR H 1 29 MET H . . 5.500 4.428 4.318 4.642 . 0 0 "[ . 1 . 2]" 1
1233 1 31 GLU H 1 45 ILE MD . . 5.430 5.457 5.002 5.516 0.086 14 0 "[ . 1 . 2]" 1
1234 1 34 GLN H 1 37 ALA MB . . 5.070 4.638 4.461 4.775 . 0 0 "[ . 1 . 2]" 1
1235 1 34 GLN H 1 40 LEU MD1 . . 5.500 5.563 5.486 5.590 0.090 7 0 "[ . 1 . 2]" 1
1236 1 34 GLN H 1 45 ILE HG13 . . 5.500 5.523 5.310 5.559 0.059 2 0 "[ . 1 . 2]" 1
1237 1 39 ASN H 1 40 LEU MD1 . . 5.370 5.106 4.820 5.426 0.056 18 0 "[ . 1 . 2]" 1
1238 1 34 GLN HE21 1 39 ASN H . . 5.500 4.552 4.286 4.796 . 0 0 "[ . 1 . 2]" 1
1239 1 39 ASN HD21 1 40 LEU MD2 . . 5.500 4.589 3.899 5.576 0.076 14 0 "[ . 1 . 2]" 1
1240 1 38 PRO HB2 1 40 LEU H . . 5.400 5.278 4.941 5.460 0.060 5 0 "[ . 1 . 2]" 1
1241 1 43 GLU H 1 45 ILE HG13 . . 5.480 5.351 4.936 5.525 0.045 9 0 "[ . 1 . 2]" 1
1242 1 43 GLU H 1 70 PHE QE . . 5.500 4.445 4.036 5.101 . 0 0 "[ . 1 . 2]" 1
1243 1 62 TYR HB2 1 65 GLY H . . 5.500 5.558 5.534 5.568 0.068 12 0 "[ . 1 . 2]" 1
1244 1 63 LEU HB2 1 65 GLY H . . 5.500 5.391 5.281 5.523 0.023 2 0 "[ . 1 . 2]" 1
1245 1 51 ASN HD21 1 52 THR H . . 5.300 4.589 4.425 4.853 . 0 0 "[ . 1 . 2]" 1
1246 1 52 THR H 1 61 ARG HD3 . . 5.500 5.527 5.376 5.562 0.062 2 0 "[ . 1 . 2]" 1
1247 1 44 GLN HB2 1 48 SER H . . 5.500 5.550 5.470 5.567 0.067 1 0 "[ . 1 . 2]" 1
1248 1 48 SER H 1 50 GLU HB2 . . 5.270 5.122 4.969 5.309 0.039 5 0 "[ . 1 . 2]" 1
1249 1 49 LEU HB3 1 54 SER H . . 5.290 5.242 4.967 5.353 0.063 5 0 "[ . 1 . 2]" 1
1250 1 53 GLY H 1 57 GLU QG . . 5.500 5.460 5.159 5.576 0.076 16 0 "[ . 1 . 2]" 1
1251 1 51 ASN HB3 1 53 GLY H . . 5.500 5.514 5.349 5.559 0.059 10 0 "[ . 1 . 2]" 1
1252 1 48 SER HA 1 51 ASN HD22 . . 5.500 4.819 4.514 5.293 . 0 0 "[ . 1 . 2]" 1
1253 1 34 GLN HE22 1 42 PRO HD3 . . 5.330 3.886 3.522 4.291 . 0 0 "[ . 1 . 2]" 1
1254 1 31 GLU HG2 1 35 ASN HD21 . . 5.500 5.553 5.516 5.568 0.068 12 0 "[ . 1 . 2]" 1
1255 1 32 THR MG 1 35 ASN HD22 . . 5.500 5.480 5.199 5.588 0.088 13 0 "[ . 1 . 2]" 1
1256 1 40 LEU MD1 1 44 GLN HE21 . . 5.500 5.554 5.419 5.588 0.088 17 0 "[ . 1 . 2]" 1
1257 1 44 GLN HE21 1 70 PHE HA . . 5.330 4.676 4.365 5.230 . 0 0 "[ . 1 . 2]" 1
1258 1 62 TYR HB3 1 64 ARG H . . 5.110 4.815 4.728 4.931 . 0 0 "[ . 1 . 2]" 1
1259 1 62 TYR HB2 1 64 ARG H . . 5.500 5.539 5.414 5.570 0.070 18 0 "[ . 1 . 2]" 1
1260 1 64 ARG H 1 66 ASP QB . . 5.090 4.472 4.231 4.706 . 0 0 "[ . 1 . 2]" 1
1261 1 34 GLN HB3 1 36 LEU H . . 5.340 5.021 4.902 5.115 . 0 0 "[ . 1 . 2]" 1
1262 1 49 LEU H 1 52 THR H . . 5.040 4.796 4.717 4.872 . 0 0 "[ . 1 . 2]" 1
1263 1 32 THR MG 1 33 VAL H . . 3.780 3.283 3.147 3.467 . 0 0 "[ . 1 . 2]" 1
1264 1 33 VAL H 1 55 VAL MG1 . . 4.060 2.688 2.478 2.986 . 0 0 "[ . 1 . 2]" 1
1265 1 33 VAL H 1 49 LEU MD1 . . 4.910 4.017 3.873 4.483 . 0 0 "[ . 1 . 2]" 1
1266 1 33 VAL H 1 49 LEU MD2 . . 4.910 3.912 3.834 3.994 . 0 0 "[ . 1 . 2]" 1
1267 1 37 ALA MB 1 62 TYR H . . 5.500 5.483 5.154 5.577 0.077 18 0 "[ . 1 . 2]" 1
1268 1 50 GLU H 1 52 THR MG . . 5.270 5.335 5.309 5.350 0.080 13 0 "[ . 1 . 2]" 1
1269 1 59 VAL H 1 61 ARG HD3 . . 5.500 5.531 5.125 5.569 0.069 12 0 "[ . 1 . 2]" 1
1270 1 59 VAL H 1 61 ARG HD2 . . 5.460 5.460 5.221 5.524 0.064 9 0 "[ . 1 . 2]" 1
1271 1 60 GLU H 1 61 ARG HD2 . . 5.480 5.355 4.946 5.535 0.055 14 0 "[ . 1 . 2]" 1
1272 1 67 GLU HA 1 69 SER H . . 5.500 5.566 5.555 5.575 0.075 6 0 "[ . 1 . 2]" 1
1273 1 67 GLU QB 1 69 SER H . . 5.440 4.610 4.149 5.035 . 0 0 "[ . 1 . 2]" 1
1274 1 62 TYR QD 1 66 ASP H . . 5.500 5.545 5.439 5.572 0.072 9 0 "[ . 1 . 2]" 1
1275 1 47 TYR HB3 1 70 PHE H . . 5.500 5.503 5.312 5.563 0.063 18 0 "[ . 1 . 2]" 1
1276 1 63 LEU H 1 68 PHE QE . . 5.390 5.317 5.247 5.360 . 0 0 "[ . 1 . 2]" 1
1277 1 70 PHE H 1 70 PHE QD . . 3.190 2.782 2.429 3.239 0.049 16 0 "[ . 1 . 2]" 1
1278 1 50 GLU H 1 51 ASN HD22 . . 5.500 5.532 5.374 5.562 0.062 4 0 "[ . 1 . 2]" 1
1279 1 39 ASN HD22 1 40 LEU MD2 . . 5.500 5.423 4.520 5.573 0.073 8 0 "[ . 1 . 2]" 1
1280 1 12 ALA MB 1 13 LEU QD . . 4.410 4.264 3.560 4.537 0.127 3 0 "[ . 1 . 2]" 1
1281 1 13 LEU H 1 13 LEU QB . . 3.240 2.696 2.089 3.222 . 0 0 "[ . 1 . 2]" 1
1282 1 13 LEU H 1 13 LEU QD . . 4.610 3.126 1.973 4.034 . 0 0 "[ . 1 . 2]" 1
1283 1 13 LEU QB 1 14 ARG H . . 3.900 3.124 1.976 3.981 0.081 6 0 "[ . 1 . 2]" 1
1284 1 13 LEU QB 1 14 ARG QB . . 4.660 4.299 2.887 4.742 0.082 1 0 "[ . 1 . 2]" 1
1285 1 13 LEU QD 1 14 ARG H . . 4.730 2.872 1.563 4.155 . 0 0 "[ . 1 . 2]" 1
1286 1 13 LEU QD 1 14 ARG HA . . 5.230 4.447 2.955 5.028 . 0 0 "[ . 1 . 2]" 1
1287 1 13 LEU QD 1 14 ARG QB . . 3.900 3.504 2.521 3.991 0.091 8 0 "[ . 1 . 2]" 1
1288 1 22 GLY QA 1 23 HIS H . . 2.960 2.255 2.022 2.789 . 0 0 "[ . 1 . 2]" 1
1289 1 22 GLY QA 1 50 GLU HA . . 4.640 4.159 3.653 4.682 0.042 10 0 "[ . 1 . 2]" 1
1290 1 22 GLY QA 1 50 GLU HB3 . . 5.340 2.822 2.250 3.797 . 0 0 "[ . 1 . 2]" 1
1291 1 23 HIS H 1 23 HIS QB . . 2.990 2.404 2.270 2.570 . 0 0 "[ . 1 . 2]" 1
1292 1 23 HIS H 1 25 VAL QG . . 5.160 4.097 3.661 4.462 . 0 0 "[ . 1 . 2]" 1
1293 1 23 HIS H 1 50 GLU QG . . 4.680 3.881 3.113 4.690 0.010 19 0 "[ . 1 . 2]" 1
1294 1 23 HIS H 1 53 GLY QA . . 5.050 4.329 4.032 4.731 . 0 0 "[ . 1 . 2]" 1
1295 1 23 HIS HA 1 24 PRO QD . . 2.900 2.179 2.093 2.303 . 0 0 "[ . 1 . 2]" 1
1296 1 23 HIS QB 1 23 HIS HD2 . . 3.340 2.586 2.511 2.750 . 0 0 "[ . 1 . 2]" 1
1297 1 23 HIS QB 1 24 PRO QD . . 3.440 2.298 2.076 2.764 . 0 0 "[ . 1 . 2]" 1
1298 1 23 HIS QB 1 25 VAL QG . . 4.400 3.261 2.943 3.732 . 0 0 "[ . 1 . 2]" 1
1299 1 23 HIS QB 1 29 MET ME . . 4.830 4.339 4.099 4.674 . 0 0 "[ . 1 . 2]" 1
1300 1 23 HIS QB 1 50 GLU HA . . 3.840 2.894 2.463 3.264 . 0 0 "[ . 1 . 2]" 1
1301 1 23 HIS QB 1 51 ASN H . . 5.340 5.174 4.919 5.412 0.072 18 0 "[ . 1 . 2]" 1
1302 1 23 HIS QB 1 52 THR H . . 5.340 5.360 5.181 5.413 0.073 17 0 "[ . 1 . 2]" 1
1303 1 23 HIS QB 1 53 GLY H . . 4.000 3.679 3.496 4.001 0.001 11 0 "[ . 1 . 2]" 1
1304 1 23 HIS QB 1 53 GLY QA . . 3.380 2.194 2.031 2.676 . 0 0 "[ . 1 . 2]" 1
1305 1 23 HIS HD2 1 53 GLY QA . . 4.060 2.829 2.175 3.664 . 0 0 "[ . 1 . 2]" 1
1306 1 24 PRO HA 1 25 VAL QG . . 4.080 3.315 3.190 3.439 . 0 0 "[ . 1 . 2]" 1
1307 1 24 PRO QG 1 25 VAL H . . 5.030 4.572 4.375 4.737 . 0 0 "[ . 1 . 2]" 1
1308 1 25 VAL H 1 25 VAL QG . . 2.890 2.272 2.034 2.410 . 0 0 "[ . 1 . 2]" 1
1309 1 25 VAL H 1 50 GLU QG . . 5.030 3.592 3.240 3.808 . 0 0 "[ . 1 . 2]" 1
1310 1 25 VAL HA 1 29 MET QB . . 4.180 4.019 3.806 4.128 . 0 0 "[ . 1 . 2]" 1
1311 1 25 VAL QG 1 26 THR H . . 3.180 3.189 3.068 3.292 0.112 10 0 "[ . 1 . 2]" 1
1312 1 25 VAL QG 1 29 MET QB . . 3.560 3.366 3.162 3.492 . 0 0 "[ . 1 . 2]" 1
1313 1 25 VAL QG 1 29 MET QG . . 4.620 4.256 4.059 4.464 . 0 0 "[ . 1 . 2]" 1
1314 1 25 VAL QG 1 29 MET ME . . 3.500 2.248 2.107 2.518 . 0 0 "[ . 1 . 2]" 1
1315 1 25 VAL QG 1 30 VAL H . . 4.620 4.668 4.257 4.722 0.102 20 0 "[ . 1 . 2]" 1
1316 1 25 VAL QG 1 30 VAL HA . . 5.440 5.248 4.900 5.418 . 0 0 "[ . 1 . 2]" 1
1317 1 25 VAL QG 1 46 ARG HA . . 3.500 2.951 2.646 3.155 . 0 0 "[ . 1 . 2]" 1
1318 1 25 VAL QG 1 46 ARG QB . . 4.560 3.633 3.431 3.845 . 0 0 "[ . 1 . 2]" 1
1319 1 25 VAL QG 1 46 ARG QG . . 3.500 2.386 2.173 2.918 . 0 0 "[ . 1 . 2]" 1
1320 1 25 VAL QG 1 46 ARG QD . . 5.440 3.929 2.759 4.606 . 0 0 "[ . 1 . 2]" 1
1321 1 25 VAL QG 1 49 LEU H . . 4.270 3.989 3.774 4.168 . 0 0 "[ . 1 . 2]" 1
1322 1 25 VAL QG 1 49 LEU HA . . 4.250 3.617 3.507 3.724 . 0 0 "[ . 1 . 2]" 1
1323 1 25 VAL QG 1 49 LEU HB3 . . 3.000 2.092 2.049 2.168 . 0 0 "[ . 1 . 2]" 1
1324 1 25 VAL QG 1 49 LEU HG . . 4.160 4.136 3.923 4.228 0.068 14 0 "[ . 1 . 2]" 1
1325 1 25 VAL QG 1 49 LEU QD . . 3.010 2.711 2.364 2.842 . 0 0 "[ . 1 . 2]" 1
1326 1 25 VAL QG 1 50 GLU H . . 3.120 2.875 2.696 3.061 . 0 0 "[ . 1 . 2]" 1
1327 1 25 VAL QG 1 50 GLU HA . . 3.360 2.280 2.122 2.441 . 0 0 "[ . 1 . 2]" 1
1328 1 25 VAL QG 1 50 GLU HB2 . . 4.760 3.698 3.583 3.958 . 0 0 "[ . 1 . 2]" 1
1329 1 25 VAL QG 1 50 GLU QG . . 3.300 1.939 1.829 2.154 . 0 0 "[ . 1 . 2]" 1
1330 1 25 VAL QG 1 51 ASN H . . 4.780 4.424 4.265 4.562 . 0 0 "[ . 1 . 2]" 1
1331 1 25 VAL QG 1 53 GLY H . . 4.440 4.125 3.892 4.342 . 0 0 "[ . 1 . 2]" 1
1332 1 25 VAL QG 1 54 SER H . . 5.440 5.150 4.804 5.381 . 0 0 "[ . 1 . 2]" 1
1333 1 26 THR H 1 29 MET QB . . 2.990 2.753 2.517 2.932 . 0 0 "[ . 1 . 2]" 1
1334 1 26 THR H 1 29 MET QG . . 3.500 2.951 2.746 3.216 . 0 0 "[ . 1 . 2]" 1
1335 1 26 THR H 1 30 VAL QG . . 5.040 4.305 4.092 4.660 . 0 0 "[ . 1 . 2]" 1
1336 1 26 THR H 1 49 LEU QD . . 4.190 4.062 3.689 4.254 0.064 10 0 "[ . 1 . 2]" 1
1337 1 26 THR H 1 55 VAL QG . . 5.440 5.290 5.131 5.498 0.058 8 0 "[ . 1 . 2]" 1
1338 1 26 THR HB 1 28 GLN QE . . 2.590 2.466 2.060 2.660 0.070 16 0 "[ . 1 . 2]" 1
1339 1 26 THR HB 1 29 MET QG . . 4.750 4.271 4.107 4.457 . 0 0 "[ . 1 . 2]" 1
1340 1 26 THR MG 1 29 MET QG . . 4.700 4.425 4.160 4.774 0.074 13 0 "[ . 1 . 2]" 1
1341 1 27 THR H 1 28 GLN QE . . 5.170 3.927 3.600 4.380 . 0 0 "[ . 1 . 2]" 1
1342 1 27 THR H 1 30 VAL QG . . 5.060 4.317 4.028 4.549 . 0 0 "[ . 1 . 2]" 1
1343 1 27 THR HA 1 30 VAL QG . . 3.590 2.486 2.087 2.758 . 0 0 "[ . 1 . 2]" 1
1344 1 27 THR HB 1 28 GLN QE . . 4.750 3.926 3.100 4.801 0.051 13 0 "[ . 1 . 2]" 1
1345 1 27 THR MG 1 30 VAL QG . . 3.880 3.491 2.832 3.959 0.079 16 0 "[ . 1 . 2]" 1
1346 1 28 GLN H 1 28 GLN QE . . 3.850 2.469 1.845 3.404 . 0 0 "[ . 1 . 2]" 1
1347 1 28 GLN H 1 29 MET QB . . 4.880 4.894 4.680 4.942 0.062 6 0 "[ . 1 . 2]" 1
1348 1 28 GLN H 1 29 MET QG . . 4.690 4.498 4.400 4.659 . 0 0 "[ . 1 . 2]" 1
1349 1 28 GLN H 1 30 VAL QG . . 5.150 4.638 4.472 4.806 . 0 0 "[ . 1 . 2]" 1
1350 1 28 GLN HA 1 28 GLN QE . . 5.340 4.163 3.302 5.247 . 0 0 "[ . 1 . 2]" 1
1351 1 28 GLN QG 1 29 MET QB . . 3.720 3.765 3.677 3.817 0.097 12 0 "[ . 1 . 2]" 1
1352 1 28 GLN QG 1 30 VAL QG . . 5.440 5.035 4.869 5.366 . 0 0 "[ . 1 . 2]" 1
1353 1 29 MET H 1 29 MET QB . . 2.700 2.332 2.197 2.399 . 0 0 "[ . 1 . 2]" 1
1354 1 29 MET H 1 29 MET QG . . 2.770 2.282 2.181 2.387 . 0 0 "[ . 1 . 2]" 1
1355 1 29 MET H 1 30 VAL QG . . 5.250 3.687 3.531 3.890 . 0 0 "[ . 1 . 2]" 1
1356 1 29 MET H 1 49 LEU QD . . 4.420 3.954 3.862 4.014 . 0 0 "[ . 1 . 2]" 1
1357 1 29 MET H 1 55 VAL QG . . 4.840 4.221 4.138 4.491 . 0 0 "[ . 1 . 2]" 1
1358 1 29 MET HA 1 29 MET QG . . 3.370 2.401 2.148 2.455 . 0 0 "[ . 1 . 2]" 1
1359 1 29 MET HA 1 49 LEU QD . . 4.550 3.432 3.349 3.521 . 0 0 "[ . 1 . 2]" 1
1360 1 29 MET HA 1 55 VAL QG . . 3.560 2.118 1.991 2.383 . 0 0 "[ . 1 . 2]" 1
1361 1 29 MET QB 1 30 VAL H . . 2.970 2.621 2.487 2.872 . 0 0 "[ . 1 . 2]" 1
1362 1 29 MET QB 1 30 VAL QG . . 4.510 3.178 3.010 3.402 . 0 0 "[ . 1 . 2]" 1
1363 1 29 MET QB 1 32 THR HB . . 5.340 4.539 4.355 4.779 . 0 0 "[ . 1 . 2]" 1
1364 1 29 MET QB 1 49 LEU QD . . 3.090 1.872 1.835 1.908 . 0 0 "[ . 1 . 2]" 1
1365 1 29 MET QB 1 55 VAL QG . . 3.470 2.143 2.062 2.262 . 0 0 "[ . 1 . 2]" 1
1366 1 29 MET ME 1 29 MET QG . . 3.090 2.452 2.361 2.779 . 0 0 "[ . 1 . 2]" 1
1367 1 29 MET QG 1 30 VAL H . . 4.410 4.147 4.086 4.258 . 0 0 "[ . 1 . 2]" 1
1368 1 29 MET QG 1 32 THR MG . . 5.340 5.162 4.736 5.418 0.078 16 0 "[ . 1 . 2]" 1
1369 1 29 MET QG 1 49 LEU HB3 . . 5.340 4.931 4.753 5.147 . 0 0 "[ . 1 . 2]" 1
1370 1 29 MET QG 1 49 LEU QD . . 4.290 3.401 3.324 3.530 . 0 0 "[ . 1 . 2]" 1
1371 1 29 MET QG 1 55 VAL H . . 5.020 4.205 3.854 4.547 . 0 0 "[ . 1 . 2]" 1
1372 1 29 MET QG 1 55 VAL QG . . 3.310 2.250 2.119 2.477 . 0 0 "[ . 1 . 2]" 1
1373 1 29 MET ME 1 49 LEU QD . . 3.060 2.063 1.936 2.207 . 0 0 "[ . 1 . 2]" 1
1374 1 29 MET ME 1 53 GLY QA . . 4.000 3.524 3.156 3.666 . 0 0 "[ . 1 . 2]" 1
1375 1 29 MET ME 1 54 SER QB . . 4.820 4.289 3.916 4.828 0.008 11 0 "[ . 1 . 2]" 1
1376 1 29 MET ME 1 55 VAL QG . . 3.140 2.321 2.092 2.733 . 0 0 "[ . 1 . 2]" 1
1377 1 30 VAL H 1 30 VAL QG . . 2.580 1.923 1.838 2.022 . 0 0 "[ . 1 . 2]" 1
1378 1 30 VAL H 1 33 VAL QG . . 5.240 4.946 4.813 5.093 . 0 0 "[ . 1 . 2]" 1
1379 1 30 VAL H 1 49 LEU QD . . 3.590 2.874 2.698 3.025 . 0 0 "[ . 1 . 2]" 1
1380 1 30 VAL H 1 55 VAL QG . . 5.440 4.398 4.244 4.485 . 0 0 "[ . 1 . 2]" 1
1381 1 30 VAL HA 1 33 VAL QG . . 3.560 3.568 3.396 3.686 0.126 8 0 "[ . 1 . 2]" 1
1382 1 30 VAL HA 1 49 LEU QD . . 3.510 2.095 2.012 2.486 . 0 0 "[ . 1 . 2]" 1
1383 1 30 VAL QG 1 31 GLU H . . 3.590 3.179 3.083 3.249 . 0 0 "[ . 1 . 2]" 1
1384 1 30 VAL QG 1 31 GLU HA . . 4.300 3.598 3.471 3.712 . 0 0 "[ . 1 . 2]" 1
1385 1 30 VAL QG 1 31 GLU HG2 . . 4.820 4.480 4.216 4.892 0.072 10 0 "[ . 1 . 2]" 1
1386 1 30 VAL QG 1 32 THR H . . 5.330 4.701 4.610 4.799 . 0 0 "[ . 1 . 2]" 1
1387 1 30 VAL QG 1 34 GLN HB3 . . 4.660 4.199 3.738 4.508 . 0 0 "[ . 1 . 2]" 1
1388 1 30 VAL QG 1 42 PRO HA . . 3.800 3.236 2.684 3.704 . 0 0 "[ . 1 . 2]" 1
1389 1 30 VAL QG 1 43 GLU H . . 5.440 5.026 4.624 5.366 . 0 0 "[ . 1 . 2]" 1
1390 1 30 VAL QG 1 45 ILE H . . 4.520 4.105 4.030 4.191 . 0 0 "[ . 1 . 2]" 1
1391 1 30 VAL QG 1 45 ILE HB . . 3.400 2.253 2.058 2.377 . 0 0 "[ . 1 . 2]" 1
1392 1 30 VAL QG 1 45 ILE HG12 . . 4.950 4.393 4.229 4.522 . 0 0 "[ . 1 . 2]" 1
1393 1 30 VAL QG 1 45 ILE HG13 . . 4.560 4.315 4.023 4.474 . 0 0 "[ . 1 . 2]" 1
1394 1 30 VAL QG 1 45 ILE MD . . 3.300 2.783 2.345 2.946 . 0 0 "[ . 1 . 2]" 1
1395 1 30 VAL QG 1 46 ARG H . . 3.450 2.621 2.567 2.683 . 0 0 "[ . 1 . 2]" 1
1396 1 30 VAL QG 1 46 ARG HA . . 3.860 2.459 2.270 2.589 . 0 0 "[ . 1 . 2]" 1
1397 1 30 VAL QG 1 46 ARG QB . . 3.880 2.240 2.063 2.430 . 0 0 "[ . 1 . 2]" 1
1398 1 30 VAL QG 1 46 ARG QG . . 4.620 3.201 2.746 3.666 . 0 0 "[ . 1 . 2]" 1
1399 1 30 VAL QG 1 47 TYR H . . 5.440 4.755 4.624 4.858 . 0 0 "[ . 1 . 2]" 1
1400 1 30 VAL QG 1 49 LEU QD . . 3.370 2.089 2.006 2.234 . 0 0 "[ . 1 . 2]" 1
1401 1 31 GLU H 1 33 VAL QG . . 5.440 5.445 5.351 5.524 0.084 8 0 "[ . 1 . 2]" 1
1402 1 31 GLU H 1 49 LEU QD . . 4.600 4.572 4.528 4.661 0.061 8 0 "[ . 1 . 2]" 1
1403 1 31 GLU H 1 55 VAL QG . . 5.440 5.330 5.233 5.450 0.010 8 0 "[ . 1 . 2]" 1
1404 1 32 THR H 1 33 VAL QG . . 4.730 4.485 4.343 4.593 . 0 0 "[ . 1 . 2]" 1
1405 1 32 THR H 1 55 VAL QG . . 4.750 3.924 3.818 3.998 . 0 0 "[ . 1 . 2]" 1
1406 1 32 THR HB 1 33 VAL QG . . 4.170 3.411 3.181 3.628 . 0 0 "[ . 1 . 2]" 1
1407 1 32 THR HB 1 49 LEU QD . . 5.130 4.262 4.061 4.454 . 0 0 "[ . 1 . 2]" 1
1408 1 32 THR MG 1 36 LEU QD . . 3.210 2.625 2.130 2.862 . 0 0 "[ . 1 . 2]" 1
1409 1 32 THR MG 1 55 VAL QG . . 2.710 1.928 1.871 2.008 . 0 0 "[ . 1 . 2]" 1
1410 1 33 VAL H 1 33 VAL QG . . 2.650 2.076 1.968 2.247 . 0 0 "[ . 1 . 2]" 1
1411 1 33 VAL H 1 36 LEU QD . . 4.910 4.839 4.016 5.001 0.091 3 0 "[ . 1 . 2]" 1
1412 1 33 VAL H 1 49 LEU QD . . 4.240 3.527 3.433 3.733 . 0 0 "[ . 1 . 2]" 1
1413 1 33 VAL H 1 55 VAL QG . . 3.450 2.578 2.428 2.743 . 0 0 "[ . 1 . 2]" 1
1414 1 33 VAL HA 1 36 LEU QD . . 4.250 3.483 2.572 3.706 . 0 0 "[ . 1 . 2]" 1
1415 1 33 VAL HA 1 55 VAL QG . . 3.550 3.039 2.913 3.208 . 0 0 "[ . 1 . 2]" 1
1416 1 33 VAL HA 1 59 VAL QG . . 3.530 2.385 2.144 2.675 . 0 0 "[ . 1 . 2]" 1
1417 1 33 VAL HB 1 55 VAL QG . . 4.200 3.803 3.676 3.907 . 0 0 "[ . 1 . 2]" 1
1418 1 33 VAL QG 1 34 GLN H . . 3.550 3.166 2.974 3.297 . 0 0 "[ . 1 . 2]" 1
1419 1 33 VAL QG 1 34 GLN HA . . 4.370 3.379 3.083 3.746 . 0 0 "[ . 1 . 2]" 1
1420 1 33 VAL QG 1 34 GLN HB2 . . 4.500 4.339 4.003 4.583 0.083 6 0 "[ . 1 . 2]" 1
1421 1 33 VAL QG 1 36 LEU H . . 4.760 4.359 4.224 4.485 . 0 0 "[ . 1 . 2]" 1
1422 1 33 VAL QG 1 36 LEU HB2 . . 4.460 3.834 3.617 3.978 . 0 0 "[ . 1 . 2]" 1
1423 1 33 VAL QG 1 36 LEU HG . . 5.440 4.710 4.437 5.017 . 0 0 "[ . 1 . 2]" 1
1424 1 33 VAL QG 1 37 ALA H . . 3.770 3.761 3.576 3.855 0.085 16 0 "[ . 1 . 2]" 1
1425 1 33 VAL QG 1 37 ALA MB . . 3.370 2.292 2.164 2.518 . 0 0 "[ . 1 . 2]" 1
1426 1 33 VAL QG 1 40 LEU HB2 . . 4.410 3.795 3.488 4.174 . 0 0 "[ . 1 . 2]" 1
1427 1 33 VAL QG 1 40 LEU MD1 . . 3.640 2.477 2.355 2.642 . 0 0 "[ . 1 . 2]" 1
1428 1 33 VAL QG 1 45 ILE HB . . 5.440 4.200 4.014 4.511 . 0 0 "[ . 1 . 2]" 1
1429 1 33 VAL QG 1 45 ILE HG12 . . 3.260 2.282 2.006 2.801 . 0 0 "[ . 1 . 2]" 1
1430 1 33 VAL QG 1 45 ILE HG13 . . 4.650 3.668 3.372 4.158 . 0 0 "[ . 1 . 2]" 1
1431 1 33 VAL QG 1 45 ILE MD . . 3.360 2.707 2.345 3.288 . 0 0 "[ . 1 . 2]" 1
1432 1 33 VAL QG 1 49 LEU H . . 5.200 4.487 4.320 4.611 . 0 0 "[ . 1 . 2]" 1
1433 1 33 VAL QG 1 49 LEU HG . . 4.440 2.992 2.843 3.185 . 0 0 "[ . 1 . 2]" 1
1434 1 33 VAL QG 1 49 LEU QD . . 2.710 1.871 1.826 2.027 . 0 0 "[ . 1 . 2]" 1
1435 1 33 VAL QG 1 55 VAL HB . . 5.440 4.008 3.895 4.151 . 0 0 "[ . 1 . 2]" 1
1436 1 33 VAL QG 1 55 VAL QG . . 2.740 1.870 1.832 1.911 . 0 0 "[ . 1 . 2]" 1
1437 1 33 VAL QG 1 58 THR H . . 5.230 4.090 3.962 4.202 . 0 0 "[ . 1 . 2]" 1
1438 1 33 VAL QG 1 58 THR HB . . 4.060 2.229 2.135 2.339 . 0 0 "[ . 1 . 2]" 1
1439 1 33 VAL QG 1 59 VAL H . . 4.310 3.383 3.150 3.648 . 0 0 "[ . 1 . 2]" 1
1440 1 33 VAL QG 1 59 VAL HA . . 4.630 3.200 2.872 3.675 . 0 0 "[ . 1 . 2]" 1
1441 1 33 VAL QG 1 59 VAL QG . . 3.270 2.030 1.898 2.285 . 0 0 "[ . 1 . 2]" 1
1442 1 33 VAL QG 1 60 GLU H . . 5.440 5.191 4.911 5.492 0.052 3 0 "[ . 1 . 2]" 1
1443 1 33 VAL QG 1 62 TYR QD . . 4.810 4.329 4.145 4.578 . 0 0 "[ . 1 . 2]" 1
1444 1 33 VAL QG 1 68 PHE QE . . 4.550 3.476 3.114 3.897 . 0 0 "[ . 1 . 2]" 1
1445 1 35 ASN H 1 36 LEU QD . . 4.560 4.403 4.194 4.607 0.047 10 0 "[ . 1 . 2]" 1
1446 1 35 ASN HB2 1 36 LEU QD . . 4.570 2.943 2.660 3.384 . 0 0 "[ . 1 . 2]" 1
1447 1 35 ASN HB3 1 36 LEU QD . . 4.570 2.891 2.623 3.543 . 0 0 "[ . 1 . 2]" 1
1448 1 35 ASN HD21 1 36 LEU QD . . 4.580 4.558 4.375 4.665 0.085 14 0 "[ . 1 . 2]" 1
1449 1 35 ASN HD22 1 36 LEU QD . . 5.440 5.531 5.493 5.548 0.108 5 0 "[ . 1 . 2]" 1
1450 1 36 LEU H 1 36 LEU QD . . 3.320 2.849 2.588 3.107 . 0 0 "[ . 1 . 2]" 1
1451 1 36 LEU H 1 59 VAL QG . . 4.310 4.169 3.919 4.377 0.067 14 0 "[ . 1 . 2]" 1
1452 1 36 LEU HA 1 36 LEU QD . . 3.710 2.242 2.136 2.348 . 0 0 "[ . 1 . 2]" 1
1453 1 36 LEU HB2 1 55 VAL QG . . 5.010 4.637 4.379 4.939 . 0 0 "[ . 1 . 2]" 1
1454 1 36 LEU HB2 1 59 VAL QG . . 3.680 2.431 2.166 2.716 . 0 0 "[ . 1 . 2]" 1
1455 1 36 LEU HB3 1 36 LEU QD . . 3.060 2.170 2.114 2.206 . 0 0 "[ . 1 . 2]" 1
1456 1 36 LEU HB3 1 59 VAL QG . . 3.420 2.743 2.336 2.978 . 0 0 "[ . 1 . 2]" 1
1457 1 36 LEU HG 1 55 VAL QG . . 5.140 4.357 3.926 4.877 . 0 0 "[ . 1 . 2]" 1
1458 1 36 LEU HG 1 59 VAL QG . . 4.830 3.513 3.068 3.968 . 0 0 "[ . 1 . 2]" 1
1459 1 36 LEU QD 1 37 ALA H . . 4.520 4.241 4.145 4.307 . 0 0 "[ . 1 . 2]" 1
1460 1 36 LEU QD 1 37 ALA MB . . 5.200 4.645 4.456 4.831 . 0 0 "[ . 1 . 2]" 1
1461 1 36 LEU QD 1 59 VAL HB . . 4.370 3.846 3.442 4.120 . 0 0 "[ . 1 . 2]" 1
1462 1 36 LEU QD 1 59 VAL QG . . 2.990 2.002 1.846 2.148 . 0 0 "[ . 1 . 2]" 1
1463 1 37 ALA H 1 59 VAL QG . . 4.360 4.246 3.980 4.452 0.092 18 0 "[ . 1 . 2]" 1
1464 1 37 ALA MB 1 59 VAL QG . . 3.960 3.199 2.771 3.760 . 0 0 "[ . 1 . 2]" 1
1465 1 45 ILE HA 1 48 SER QB . . 3.960 2.953 2.523 3.978 0.018 17 0 "[ . 1 . 2]" 1
1466 1 45 ILE MG 1 48 SER QB . . 5.190 3.992 3.433 5.083 . 0 0 "[ . 1 . 2]" 1
1467 1 45 ILE HG12 1 49 LEU QD . . 4.910 4.581 4.454 4.977 0.067 8 0 "[ . 1 . 2]" 1
1468 1 45 ILE MD 1 49 LEU QD . . 5.110 4.273 4.170 4.702 . 0 0 "[ . 1 . 2]" 1
1469 1 46 ARG H 1 49 LEU QD . . 4.490 3.707 3.585 4.136 . 0 0 "[ . 1 . 2]" 1
1470 1 46 ARG HA 1 49 LEU QD . . 3.690 2.110 2.025 2.216 . 0 0 "[ . 1 . 2]" 1
1471 1 46 ARG QG 1 49 LEU QD . . 4.640 3.953 3.679 4.264 . 0 0 "[ . 1 . 2]" 1
1472 1 46 ARG QG 1 50 GLU QG . . 4.680 3.033 2.746 3.409 . 0 0 "[ . 1 . 2]" 1
1473 1 47 TYR H 1 48 SER QB . . 5.320 4.780 4.358 5.188 . 0 0 "[ . 1 . 2]" 1
1474 1 47 TYR QD 1 50 GLU QG . . 5.340 4.551 3.946 5.142 . 0 0 "[ . 1 . 2]" 1
1475 1 47 TYR QD 1 69 SER QB . . 3.470 2.639 2.197 3.121 . 0 0 "[ . 1 . 2]" 1
1476 1 47 TYR QD 1 72 PRO QG . . 4.970 4.470 4.003 4.824 . 0 0 "[ . 1 . 2]" 1
1477 1 47 TYR QE 1 69 SER QB . . 3.200 2.363 2.009 2.846 . 0 0 "[ . 1 . 2]" 1
1478 1 47 TYR QE 1 72 PRO QB . . 5.340 4.645 4.258 5.288 . 0 0 "[ . 1 . 2]" 1
1479 1 47 TYR QE 1 72 PRO QD . . 3.350 2.610 2.256 3.316 . 0 0 "[ . 1 . 2]" 1
1480 1 48 SER H 1 48 SER QB . . 2.610 2.521 2.250 2.691 0.081 19 0 "[ . 1 . 2]" 1
1481 1 48 SER QB 1 49 LEU H . . 3.550 2.711 2.205 3.493 . 0 0 "[ . 1 . 2]" 1
1482 1 48 SER QB 1 58 THR MG . . 3.810 2.197 1.944 2.603 . 0 0 "[ . 1 . 2]" 1
1483 1 48 SER QB 1 68 PHE QD . . 3.880 2.874 2.137 3.599 . 0 0 "[ . 1 . 2]" 1
1484 1 48 SER QB 1 68 PHE QE . . 3.650 2.812 2.354 3.593 . 0 0 "[ . 1 . 2]" 1
1485 1 49 LEU H 1 49 LEU QD . . 3.700 3.046 2.955 3.161 . 0 0 "[ . 1 . 2]" 1
1486 1 49 LEU H 1 50 GLU QG . . 5.340 4.835 4.650 5.376 0.036 18 0 "[ . 1 . 2]" 1
1487 1 49 LEU HA 1 49 LEU QD . . 2.920 2.181 2.090 2.276 . 0 0 "[ . 1 . 2]" 1
1488 1 49 LEU HB3 1 49 LEU QD . . 2.990 2.066 2.007 2.102 . 0 0 "[ . 1 . 2]" 1
1489 1 49 LEU HG 1 55 VAL QG . . 5.280 4.259 4.127 4.439 . 0 0 "[ . 1 . 2]" 1
1490 1 49 LEU QD 1 50 GLU H . . 4.660 4.104 3.932 4.192 . 0 0 "[ . 1 . 2]" 1
1491 1 49 LEU QD 1 51 ASN H . . 5.440 5.365 5.226 5.499 0.059 2 0 "[ . 1 . 2]" 1
1492 1 49 LEU QD 1 52 THR H . . 5.160 5.005 4.841 5.146 . 0 0 "[ . 1 . 2]" 1
1493 1 49 LEU QD 1 52 THR MG . . 4.290 4.322 4.149 4.395 0.105 2 0 "[ . 1 . 2]" 1
1494 1 49 LEU QD 1 53 GLY H . . 4.450 4.456 4.307 4.522 0.072 19 0 "[ . 1 . 2]" 1
1495 1 49 LEU QD 1 54 SER H . . 4.460 4.097 3.868 4.305 . 0 0 "[ . 1 . 2]" 1
1496 1 49 LEU QD 1 54 SER HA . . 4.930 3.952 3.645 4.394 . 0 0 "[ . 1 . 2]" 1
1497 1 49 LEU QD 1 55 VAL H . . 4.120 3.384 3.237 3.551 . 0 0 "[ . 1 . 2]" 1
1498 1 49 LEU QD 1 55 VAL HA . . 3.080 2.116 2.002 2.247 . 0 0 "[ . 1 . 2]" 1
1499 1 49 LEU QD 1 55 VAL HB . . 4.180 3.989 3.910 4.131 . 0 0 "[ . 1 . 2]" 1
1500 1 49 LEU QD 1 55 VAL QG . . 2.920 2.028 1.905 2.174 . 0 0 "[ . 1 . 2]" 1
1501 1 49 LEU QD 1 57 GLU H . . 5.400 5.228 5.086 5.440 0.040 11 0 "[ . 1 . 2]" 1
1502 1 49 LEU QD 1 58 THR H . . 4.050 3.883 3.736 4.075 0.025 11 0 "[ . 1 . 2]" 1
1503 1 49 LEU QD 1 58 THR HB . . 3.960 2.740 2.568 2.901 . 0 0 "[ . 1 . 2]" 1
1504 1 49 LEU QD 1 58 THR MG . . 3.420 2.667 2.570 2.803 . 0 0 "[ . 1 . 2]" 1
1505 1 49 LEU QD 1 59 VAL H . . 5.440 4.828 4.689 5.009 . 0 0 "[ . 1 . 2]" 1
1506 1 49 LEU QD 1 68 PHE QE . . 5.440 5.229 4.977 5.530 0.090 8 0 "[ . 1 . 2]" 1
1507 1 50 GLU H 1 50 GLU QG . . 3.370 2.680 2.468 3.080 . 0 0 "[ . 1 . 2]" 1
1508 1 50 GLU HA 1 50 GLU QG . . 3.390 2.271 2.145 2.523 . 0 0 "[ . 1 . 2]" 1
1509 1 52 THR H 1 53 GLY QA . . 4.600 4.393 4.256 4.563 . 0 0 "[ . 1 . 2]" 1
1510 1 52 THR HB 1 54 SER QB . . 4.520 4.172 3.619 4.579 0.059 10 0 "[ . 1 . 2]" 1
1511 1 53 GLY H 1 53 GLY QA . . 2.490 2.236 2.191 2.287 . 0 0 "[ . 1 . 2]" 1
1512 1 54 SER H 1 54 SER QB . . 2.990 2.730 2.581 2.882 . 0 0 "[ . 1 . 2]" 1
1513 1 54 SER HA 1 55 VAL QG . . 4.450 3.582 3.307 3.939 . 0 0 "[ . 1 . 2]" 1
1514 1 54 SER QB 1 55 VAL H . . 3.870 3.039 2.626 3.748 . 0 0 "[ . 1 . 2]" 1
1515 1 54 SER QB 1 55 VAL HB . . 5.340 4.615 4.135 5.387 0.047 10 0 "[ . 1 . 2]" 1
1516 1 54 SER QB 1 56 GLU H . . 4.180 3.138 2.638 3.596 . 0 0 "[ . 1 . 2]" 1
1517 1 54 SER QB 1 56 GLU QG . . 3.570 2.099 1.899 2.296 . 0 0 "[ . 1 . 2]" 1
1518 1 54 SER QB 1 57 GLU H . . 3.080 2.515 1.794 2.931 . 0 0 "[ . 1 . 2]" 1
1519 1 54 SER QB 1 57 GLU HB2 . . 3.930 2.963 2.420 3.666 . 0 0 "[ . 1 . 2]" 1
1520 1 54 SER QB 1 57 GLU HB3 . . 3.680 2.954 2.338 3.557 . 0 0 "[ . 1 . 2]" 1
1521 1 54 SER QB 1 57 GLU QG . . 4.810 4.342 3.901 4.881 0.071 17 0 "[ . 1 . 2]" 1
1522 1 54 SER QB 1 58 THR H . . 4.580 4.161 3.713 4.664 0.084 10 0 "[ . 1 . 2]" 1
1523 1 55 VAL H 1 55 VAL QG . . 2.780 2.181 1.965 2.395 . 0 0 "[ . 1 . 2]" 1
1524 1 55 VAL HA 1 55 VAL QG . . 3.060 2.217 2.137 2.254 . 0 0 "[ . 1 . 2]" 1
1525 1 55 VAL HB 1 59 VAL QG . . 5.080 4.429 4.216 4.629 . 0 0 "[ . 1 . 2]" 1
1526 1 55 VAL QG 1 56 GLU H . . 3.330 3.050 2.862 3.235 . 0 0 "[ . 1 . 2]" 1
1527 1 55 VAL QG 1 56 GLU HA . . 3.860 3.344 3.164 3.543 . 0 0 "[ . 1 . 2]" 1
1528 1 55 VAL QG 1 56 GLU QG . . 5.280 4.563 4.439 4.730 . 0 0 "[ . 1 . 2]" 1
1529 1 55 VAL QG 1 58 THR MG . . 4.460 4.104 3.832 4.320 . 0 0 "[ . 1 . 2]" 1
1530 1 55 VAL QG 1 59 VAL H . . 3.860 3.853 3.568 3.945 0.085 20 0 "[ . 1 . 2]" 1
1531 1 55 VAL QG 1 59 VAL QG . . 2.910 2.298 2.108 2.460 . 0 0 "[ . 1 . 2]" 1
1532 1 56 GLU HA 1 59 VAL QG . . 3.990 3.274 2.767 3.490 . 0 0 "[ . 1 . 2]" 1
1533 1 56 GLU QB 1 59 VAL QG . . 5.440 4.397 3.969 4.644 . 0 0 "[ . 1 . 2]" 1
1534 1 56 GLU QG 1 57 GLU H . . 3.110 1.986 1.668 2.395 . 0 0 "[ . 1 . 2]" 1
1535 1 56 GLU QG 1 57 GLU HB2 . . 4.100 3.192 2.844 4.122 0.022 11 0 "[ . 1 . 2]" 1
1536 1 57 GLU H 1 59 VAL QG . . 5.440 5.070 4.837 5.265 . 0 0 "[ . 1 . 2]" 1
1537 1 57 GLU HA 1 60 GLU QB . . 3.360 2.393 2.262 2.491 . 0 0 "[ . 1 . 2]" 1
1538 1 57 GLU HA 1 60 GLU QG . . 4.500 3.570 2.752 4.265 . 0 0 "[ . 1 . 2]" 1
1539 1 58 THR HB 1 59 VAL QG . . 4.330 3.124 2.970 3.214 . 0 0 "[ . 1 . 2]" 1
1540 1 58 THR MG 1 59 VAL QG . . 3.640 3.568 3.407 3.714 0.074 14 0 "[ . 1 . 2]" 1
1541 1 59 VAL H 1 59 VAL QG . . 2.560 2.315 2.200 2.415 . 0 0 "[ . 1 . 2]" 1
1542 1 59 VAL HA 1 59 VAL QG . . 2.860 2.161 2.126 2.235 . 0 0 "[ . 1 . 2]" 1
1543 1 59 VAL QG 1 60 GLU H . . 3.450 3.340 3.181 3.456 0.006 13 0 "[ . 1 . 2]" 1
1544 1 59 VAL QG 1 60 GLU HA . . 4.250 3.612 3.466 3.812 . 0 0 "[ . 1 . 2]" 1
1545 1 59 VAL QG 1 60 GLU QG . . 4.440 3.662 3.157 4.024 . 0 0 "[ . 1 . 2]" 1
1546 1 59 VAL QG 1 62 TYR HB3 . . 4.860 3.490 3.309 3.634 . 0 0 "[ . 1 . 2]" 1
1547 1 59 VAL QG 1 62 TYR QD . . 2.930 2.820 2.594 2.978 0.048 20 0 "[ . 1 . 2]" 1
1548 1 59 VAL QG 1 62 TYR QE . . 3.860 3.871 3.508 3.971 0.111 5 0 "[ . 1 . 2]" 1
1549 1 60 GLU H 1 60 GLU QB . . 2.440 2.247 2.128 2.380 . 0 0 "[ . 1 . 2]" 1
1550 1 60 GLU H 1 60 GLU QG . . 3.240 2.606 2.356 2.870 . 0 0 "[ . 1 . 2]" 1
1551 1 60 GLU QB 1 63 LEU HG . . 4.610 4.254 4.117 4.392 . 0 0 "[ . 1 . 2]" 1
1552 1 61 ARG HA 1 64 ARG QG . . 3.510 2.687 2.047 3.584 0.074 20 0 "[ . 1 . 2]" 1
1553 1 64 ARG H 1 64 ARG QG . . 3.320 3.042 2.321 3.381 0.061 2 0 "[ . 1 . 2]" 1
1554 1 64 ARG H 1 65 GLY QA . . 5.260 4.347 4.134 4.477 . 0 0 "[ . 1 . 2]" 1
1555 1 64 ARG HA 1 64 ARG QG . . 3.620 3.301 3.066 3.500 . 0 0 "[ . 1 . 2]" 1
1556 1 64 ARG HA 1 65 GLY QA . . 4.830 4.258 4.209 4.328 . 0 0 "[ . 1 . 2]" 1
1557 1 64 ARG HE 1 64 ARG QG . . 3.470 2.272 1.982 2.585 . 0 0 "[ . 1 . 2]" 1
1558 1 64 ARG QG 1 65 GLY H . . 4.040 3.123 2.819 3.470 . 0 0 "[ . 1 . 2]" 1
1559 1 64 ARG QG 1 66 ASP H . . 3.480 2.402 2.158 2.714 . 0 0 "[ . 1 . 2]" 1
1560 1 64 ARG QG 1 66 ASP QB . . 4.650 2.302 2.101 3.341 . 0 0 "[ . 1 . 2]" 1
1561 1 65 GLY H 1 65 GLY QA . . 2.510 2.215 2.138 2.261 . 0 0 "[ . 1 . 2]" 1
1562 1 65 GLY QA 1 66 ASP H . . 3.050 2.834 2.745 2.923 . 0 0 "[ . 1 . 2]" 1
1563 1 65 GLY QA 1 66 ASP HA . . 4.300 4.185 4.100 4.274 . 0 0 "[ . 1 . 2]" 1
1564 1 67 GLU H 1 67 GLU QG . . 3.410 2.487 1.878 3.128 . 0 0 "[ . 1 . 2]" 1
1565 1 67 GLU QG 1 68 PHE H . . 4.380 3.970 3.568 4.300 . 0 0 "[ . 1 . 2]" 1
1566 1 69 SER H 1 69 SER QB . . 3.100 2.472 2.251 2.935 . 0 0 "[ . 1 . 2]" 1
1567 1 69 SER QB 1 70 PHE H . . 2.970 2.354 2.101 3.038 0.068 15 0 "[ . 1 . 2]" 1
1568 1 71 PRO HA 1 72 PRO QG . . 5.010 4.170 4.058 4.312 . 0 0 "[ . 1 . 2]" 1
1569 1 71 PRO HA 1 72 PRO QD . . 3.080 2.247 2.129 2.397 . 0 0 "[ . 1 . 2]" 1
1570 1 71 PRO HB2 1 72 PRO QD . . 3.760 2.329 2.121 2.618 . 0 0 "[ . 1 . 2]" 1
1571 1 71 PRO HB3 1 72 PRO QD . . 3.760 2.780 2.582 2.919 . 0 0 "[ . 1 . 2]" 1
1572 1 72 PRO QB 1 73 GLY H . . 4.120 3.147 2.855 3.576 . 0 0 "[ . 1 . 2]" 1
1573 1 72 PRO QB 1 74 PHE H . . 5.340 4.719 4.542 5.018 . 0 0 "[ . 1 . 2]" 1
1574 1 72 PRO QG 1 73 GLY H . . 5.030 4.578 4.316 4.777 . 0 0 "[ . 1 . 2]" 1
1575 1 73 GLY H 1 75 GLU QB . . 5.310 4.613 3.946 5.371 0.061 5 0 "[ . 1 . 2]" 1
1576 1 73 GLY QA 1 74 PHE H . . 3.080 2.996 2.913 3.031 . 0 0 "[ . 1 . 2]" 1
1577 1 74 PHE H 1 75 GLU QB . . 4.890 4.534 4.118 4.943 0.053 12 0 "[ . 1 . 2]" 1
1578 1 75 GLU H 1 75 GLU QB . . 3.360 2.502 2.216 2.846 . 0 0 "[ . 1 . 2]" 1
1579 1 75 GLU QB 1 75 GLU QG . . 2.410 2.081 1.994 2.136 . 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 36
_Distance_constraint_stats_list.Viol_count 199
_Distance_constraint_stats_list.Viol_total 183.967
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0226
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_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 27 THR 1.006 0.063 20 0 "[ . 1 . 2]"
1 28 GLN 0.692 0.070 12 0 "[ . 1 . 2]"
1 29 MET 1.741 0.065 8 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 1.006 0.063 20 0 "[ . 1 . 2]"
1 32 THR 2.274 0.070 12 0 "[ . 1 . 2]"
1 33 VAL 1.741 0.065 8 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 1.582 0.069 8 0 "[ . 1 . 2]"
1 41 HIS 0.315 0.064 5 0 "[ . 1 . 2]"
1 43 GLU 0.315 0.064 5 0 "[ . 1 . 2]"
1 44 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 1.080 0.070 2 0 "[ . 1 . 2]"
1 47 TYR 1.227 0.074 10 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LEU 0.073 0.037 16 0 "[ . 1 . 2]"
1 50 GLU 1.080 0.070 2 0 "[ . 1 . 2]"
1 51 ASN 1.227 0.074 10 0 "[ . 1 . 2]"
1 52 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.073 0.037 16 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 0.099 0.061 10 0 "[ . 1 . 2]"
1 57 GLU 0.015 0.015 9 0 "[ . 1 . 2]"
1 58 THR 1.115 0.070 13 0 "[ . 1 . 2]"
1 59 VAL 0.253 0.051 20 0 "[ . 1 . 2]"
1 60 GLU 0.099 0.061 10 0 "[ . 1 . 2]"
1 61 ARG 0.015 0.015 9 0 "[ . 1 . 2]"
1 62 TYR 1.115 0.070 13 0 "[ . 1 . 2]"
1 63 LEU 0.253 0.051 20 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 27 THR O 1 31 GLU N . . 3.100 3.082 2.931 3.155 0.055 20 0 "[ . 1 . 2]" 2
2 1 27 THR O 1 31 GLU H . . 2.100 2.089 1.922 2.163 0.063 20 0 "[ . 1 . 2]" 2
3 1 28 GLN O 1 32 THR N . . 3.100 3.038 2.796 3.150 0.050 16 0 "[ . 1 . 2]" 2
4 1 28 GLN O 1 32 THR H . . 2.100 2.070 1.811 2.170 0.070 12 0 "[ . 1 . 2]" 2
5 1 29 MET O 1 33 VAL N . . 3.100 3.145 3.101 3.157 0.057 7 0 "[ . 1 . 2]" 2
6 1 29 MET O 1 33 VAL H . . 2.100 2.142 2.100 2.165 0.065 8 0 "[ . 1 . 2]" 2
7 1 30 VAL O 1 34 GLN N . . 3.100 2.914 2.789 3.046 . 0 0 "[ . 1 . 2]" 2
8 1 30 VAL O 1 34 GLN H . . 2.100 1.914 1.798 2.038 . 0 0 "[ . 1 . 2]" 2
9 1 31 GLU O 1 35 ASN N . . 3.100 2.800 2.711 2.865 . 0 0 "[ . 1 . 2]" 2
10 1 31 GLU O 1 35 ASN H . . 2.100 1.832 1.724 1.930 . 0 0 "[ . 1 . 2]" 2
11 1 32 THR O 1 36 LEU N . . 3.100 3.124 3.077 3.156 0.056 5 0 "[ . 1 . 2]" 2
12 1 32 THR O 1 36 LEU H . . 2.100 2.152 2.130 2.169 0.069 8 0 "[ . 1 . 2]" 2
13 1 44 GLN O 1 48 SER N . . 3.100 2.918 2.825 3.018 . 0 0 "[ . 1 . 2]" 2
14 1 44 GLN O 1 48 SER H . . 2.100 1.955 1.874 2.042 . 0 0 "[ . 1 . 2]" 2
15 1 45 ILE O 1 49 LEU N . . 3.100 2.836 2.776 2.908 . 0 0 "[ . 1 . 2]" 2
16 1 45 ILE O 1 49 LEU H . . 2.100 1.829 1.778 1.901 . 0 0 "[ . 1 . 2]" 2
17 1 46 ARG O 1 50 GLU N . . 3.100 3.037 2.908 3.082 . 0 0 "[ . 1 . 2]" 2
18 1 46 ARG O 1 50 GLU H . . 2.100 2.147 1.969 2.170 0.070 2 0 "[ . 1 . 2]" 2
19 1 47 TYR O 1 51 ASN N . . 3.100 3.052 3.003 3.082 . 0 0 "[ . 1 . 2]" 2
20 1 47 TYR O 1 51 ASN H . . 2.100 2.161 2.108 2.174 0.074 10 0 "[ . 1 . 2]" 2
21 1 48 SER O 1 52 THR N . . 3.100 2.827 2.762 2.940 . 0 0 "[ . 1 . 2]" 2
22 1 48 SER O 1 52 THR H . . 2.100 1.827 1.765 1.947 . 0 0 "[ . 1 . 2]" 2
23 1 49 LEU O 1 53 GLY N . . 3.100 2.816 2.722 2.999 . 0 0 "[ . 1 . 2]" 2
24 1 49 LEU O 1 53 GLY H . . 2.100 1.958 1.852 2.137 0.037 16 0 "[ . 1 . 2]" 2
25 1 55 VAL O 1 59 VAL N . . 3.100 2.869 2.780 2.956 . 0 0 "[ . 1 . 2]" 2
26 1 55 VAL O 1 59 VAL H . . 2.100 1.941 1.862 2.055 . 0 0 "[ . 1 . 2]" 2
27 1 56 GLU O 1 60 GLU N . . 3.100 2.911 2.781 3.124 0.024 10 0 "[ . 1 . 2]" 2
28 1 56 GLU O 1 60 GLU H . . 2.100 1.965 1.845 2.161 0.061 10 0 "[ . 1 . 2]" 2
29 1 57 GLU O 1 61 ARG N . . 3.100 2.931 2.837 3.067 . 0 0 "[ . 1 . 2]" 2
30 1 57 GLU O 1 61 ARG H . . 2.100 1.985 1.839 2.115 0.015 9 0 "[ . 1 . 2]" 2
31 1 58 THR O 1 62 TYR N . . 3.100 3.047 2.935 3.106 0.006 2 0 "[ . 1 . 2]" 2
32 1 58 THR O 1 62 TYR H . . 2.100 2.152 2.036 2.170 0.070 13 0 "[ . 1 . 2]" 2
33 1 59 VAL O 1 63 LEU N . . 3.100 3.038 2.914 3.151 0.051 20 0 "[ . 1 . 2]" 2
34 1 59 VAL O 1 63 LEU H . . 2.100 2.024 1.902 2.137 0.037 20 0 "[ . 1 . 2]" 2
35 1 41 HIS ND1 1 43 GLU N . . 3.100 3.051 3.009 3.107 0.007 5 0 "[ . 1 . 2]" 2
36 1 41 HIS ND1 1 43 GLU H . . 2.100 2.100 2.035 2.164 0.064 5 0 "[ . 1 . 2]" 2
stop_
save_
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