NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
461211 |
2dl3   |
11219 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dl3
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 1281
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 13.319
_Distance_constraint_stats_list.Viol_max 0.034
_Distance_constraint_stats_list.Viol_rms 0.0005
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0032
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.006 0.006 20 0 "[ . 1 . 2]"
1 8 ARG 0.084 0.024 20 0 "[ . 1 . 2]"
1 9 PRO 0.035 0.024 20 0 "[ . 1 . 2]"
1 10 ALA 0.006 0.005 13 0 "[ . 1 . 2]"
1 11 ARG 0.001 0.001 11 0 "[ . 1 . 2]"
1 12 ALA 0.010 0.008 17 0 "[ . 1 . 2]"
1 13 LYS 0.003 0.002 10 0 "[ . 1 . 2]"
1 14 PHE 0.002 0.002 10 0 "[ . 1 . 2]"
1 15 ASP 0.032 0.008 18 0 "[ . 1 . 2]"
1 16 PHE 0.048 0.007 3 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.126 0.010 15 0 "[ . 1 . 2]"
1 19 GLN 0.104 0.034 2 0 "[ . 1 . 2]"
1 20 THR 0.013 0.004 3 0 "[ . 1 . 2]"
1 21 LEU 0.032 0.032 15 0 "[ . 1 . 2]"
1 22 LYS 0.002 0.002 4 0 "[ . 1 . 2]"
1 23 GLU 0.035 0.006 15 0 "[ . 1 . 2]"
1 24 LEU 0.063 0.007 5 0 "[ . 1 . 2]"
1 25 PRO 0.060 0.008 7 0 "[ . 1 . 2]"
1 26 LEU 0.097 0.010 15 0 "[ . 1 . 2]"
1 27 GLN 0.055 0.022 6 0 "[ . 1 . 2]"
1 28 LYS 0.020 0.006 4 0 "[ . 1 . 2]"
1 29 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 30 ASP 0.012 0.008 17 0 "[ . 1 . 2]"
1 31 ILE 0.005 0.002 19 0 "[ . 1 . 2]"
1 32 VAL 0.010 0.003 13 0 "[ . 1 . 2]"
1 33 TYR 0.040 0.006 20 0 "[ . 1 . 2]"
1 34 ILE 0.043 0.012 20 0 "[ . 1 . 2]"
1 35 TYR 0.005 0.003 4 0 "[ . 1 . 2]"
1 36 LYS 0.002 0.002 20 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 0.008 0.004 4 0 "[ . 1 . 2]"
1 39 ASP 0.001 0.001 4 0 "[ . 1 . 2]"
1 40 GLN 0.000 0.000 4 0 "[ . 1 . 2]"
1 41 ASN 0.002 0.001 20 0 "[ . 1 . 2]"
1 42 TRP 0.007 0.002 16 0 "[ . 1 . 2]"
1 43 TYR 0.004 0.004 13 0 "[ . 1 . 2]"
1 44 GLU 0.007 0.004 4 0 "[ . 1 . 2]"
1 45 GLY 0.004 0.004 11 0 "[ . 1 . 2]"
1 46 GLU 0.002 0.002 13 0 "[ . 1 . 2]"
1 47 HIS 0.016 0.003 13 0 "[ . 1 . 2]"
1 48 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.011 0.003 11 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLY 0.010 0.004 11 0 "[ . 1 . 2]"
1 53 ILE 0.005 0.001 12 0 "[ . 1 . 2]"
1 54 PHE 0.039 0.005 6 0 "[ . 1 . 2]"
1 55 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.006 0.004 13 0 "[ . 1 . 2]"
1 57 THR 0.008 0.004 20 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ILE 0.010 0.004 13 0 "[ . 1 . 2]"
1 60 GLU 0.002 0.001 7 0 "[ . 1 . 2]"
1 61 LEU 0.009 0.004 4 0 "[ . 1 . 2]"
1 62 LEU 0.005 0.005 13 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HB2 1 7 GLY H . . 5.180 3.647 2.120 4.587 . 0 0 "[ . 1 . 2]" 1
2 1 6 SER HB3 1 7 GLY H . . 5.180 3.462 2.103 4.350 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 ARG H . . 3.170 2.453 2.214 2.838 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 ARG QG . . 5.500 3.890 3.416 4.378 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 33 TYR HB3 . . 4.360 4.098 3.679 4.366 0.006 20 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 34 ILE HB . . 5.500 4.666 4.475 5.000 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 35 TYR HA . . 4.320 2.369 2.096 2.714 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 35 TYR QD . . 4.290 3.137 2.611 3.697 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA3 1 8 ARG H . . 3.330 2.694 2.322 3.006 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA3 1 33 TYR HB2 . . 4.610 4.239 3.894 4.506 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA3 1 33 TYR HB3 . . 3.760 2.504 2.158 2.774 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA3 1 33 TYR QD . . 4.740 3.063 2.779 3.806 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 34 ILE H . . 5.260 3.997 3.426 4.498 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 35 TYR HA . . 4.420 3.216 2.813 3.596 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 35 TYR HB3 . . 5.500 5.134 4.833 5.354 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 35 TYR QD . . 4.070 2.862 2.237 3.529 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 35 TYR QE . . 4.400 3.532 2.989 4.240 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG H 1 8 ARG HB2 . . 4.000 2.539 2.299 3.784 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG H 1 8 ARG QB . . 3.510 2.450 2.272 2.743 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG H 1 8 ARG HB3 . . 4.000 3.610 2.816 3.761 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG H 1 8 ARG QD . . 4.870 4.198 2.009 4.820 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG H 1 8 ARG QG . . 3.560 3.117 2.490 3.428 . 0 0 "[ . 1 . 2]" 1
23 1 8 ARG H 1 33 TYR HB3 . . 4.490 3.890 3.664 4.096 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG H 1 33 TYR QD . . 4.500 3.330 3.023 3.631 . 0 0 "[ . 1 . 2]" 1
25 1 8 ARG H 1 33 TYR QE . . 5.500 5.315 5.046 5.506 0.006 20 0 "[ . 1 . 2]" 1
26 1 8 ARG H 1 34 ILE H . . 3.460 2.423 2.185 2.823 . 0 0 "[ . 1 . 2]" 1
27 1 8 ARG H 1 34 ILE HB . . 3.730 2.902 2.616 3.112 . 0 0 "[ . 1 . 2]" 1
28 1 8 ARG H 1 34 ILE MG . . 4.680 3.965 3.694 4.226 . 0 0 "[ . 1 . 2]" 1
29 1 8 ARG HA 1 8 ARG QD . . 4.290 3.989 3.476 4.310 0.020 20 0 "[ . 1 . 2]" 1
30 1 8 ARG HA 1 8 ARG QG . . 3.410 2.395 2.178 3.314 . 0 0 "[ . 1 . 2]" 1
31 1 8 ARG HA 1 9 PRO HD2 . . 2.950 2.257 2.218 2.393 . 0 0 "[ . 1 . 2]" 1
32 1 8 ARG HA 1 9 PRO HD3 . . 2.950 2.260 2.254 2.297 . 0 0 "[ . 1 . 2]" 1
33 1 8 ARG HA 1 9 PRO QG . . 4.430 3.916 3.893 3.997 . 0 0 "[ . 1 . 2]" 1
34 1 8 ARG QB 1 8 ARG QD . . 3.370 2.156 2.011 2.319 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG QB 1 9 PRO QD . . 3.660 2.391 1.968 2.529 . 0 0 "[ . 1 . 2]" 1
36 1 8 ARG QB 1 34 ILE MG . . 4.580 3.779 3.488 4.193 . 0 0 "[ . 1 . 2]" 1
37 1 8 ARG QB 1 61 LEU MD2 . . 4.270 2.627 2.272 4.129 . 0 0 "[ . 1 . 2]" 1
38 1 8 ARG HB2 1 9 PRO HD2 . . 5.350 3.836 1.994 4.012 . 0 0 "[ . 1 . 2]" 1
39 1 8 ARG HB2 1 9 PRO HD3 . . 5.350 4.811 3.398 4.934 . 0 0 "[ . 1 . 2]" 1
40 1 8 ARG HB2 1 34 ILE H . . 5.260 3.599 3.384 5.218 . 0 0 "[ . 1 . 2]" 1
41 1 8 ARG HB2 1 34 ILE MD . . 5.080 3.462 3.144 5.081 0.001 20 0 "[ . 1 . 2]" 1
42 1 8 ARG HB2 1 34 ILE MG . . 5.290 3.929 3.573 5.302 0.012 20 0 "[ . 1 . 2]" 1
43 1 8 ARG HB2 1 61 LEU MD2 . . 4.970 3.173 2.725 4.435 . 0 0 "[ . 1 . 2]" 1
44 1 8 ARG HB3 1 9 PRO HD2 . . 5.350 2.524 2.311 3.552 . 0 0 "[ . 1 . 2]" 1
45 1 8 ARG HB3 1 9 PRO HD3 . . 5.350 3.873 3.716 4.506 . 0 0 "[ . 1 . 2]" 1
46 1 8 ARG HB3 1 34 ILE H . . 5.260 4.507 4.237 4.960 . 0 0 "[ . 1 . 2]" 1
47 1 8 ARG HB3 1 34 ILE MD . . 5.080 4.068 3.648 5.084 0.004 20 0 "[ . 1 . 2]" 1
48 1 8 ARG HB3 1 34 ILE MG . . 5.290 5.158 4.394 5.293 0.003 17 0 "[ . 1 . 2]" 1
49 1 8 ARG HB3 1 61 LEU MD2 . . 4.970 2.831 2.375 4.922 . 0 0 "[ . 1 . 2]" 1
50 1 8 ARG QD 1 34 ILE MD . . 4.720 4.148 2.643 4.604 . 0 0 "[ . 1 . 2]" 1
51 1 8 ARG QD 1 34 ILE MG . . 4.900 4.243 3.231 4.902 0.002 4 0 "[ . 1 . 2]" 1
52 1 8 ARG QD 1 61 LEU MD1 . . 4.800 3.776 3.220 4.797 . 0 0 "[ . 1 . 2]" 1
53 1 8 ARG QD 1 61 LEU MD2 . . 4.060 2.773 1.821 4.047 . 0 0 "[ . 1 . 2]" 1
54 1 8 ARG QG 1 9 PRO HD2 . . 4.400 2.995 2.631 3.537 . 0 0 "[ . 1 . 2]" 1
55 1 8 ARG QG 1 9 PRO QD . . 3.620 2.901 2.575 3.365 . 0 0 "[ . 1 . 2]" 1
56 1 8 ARG QG 1 9 PRO HD3 . . 4.400 3.907 3.654 4.424 0.024 20 0 "[ . 1 . 2]" 1
57 1 8 ARG QG 1 34 ILE MD . . 5.060 4.852 2.737 5.062 0.002 10 0 "[ . 1 . 2]" 1
58 1 8 ARG QG 1 61 LEU MD2 . . 3.970 3.856 3.144 3.974 0.004 4 0 "[ . 1 . 2]" 1
59 1 9 PRO HA 1 10 ALA H . . 2.770 2.173 2.151 2.248 . 0 0 "[ . 1 . 2]" 1
60 1 9 PRO HA 1 10 ALA MB . . 4.440 3.930 3.797 3.998 . 0 0 "[ . 1 . 2]" 1
61 1 9 PRO HA 1 31 ILE MG . . 4.260 3.392 3.270 3.631 . 0 0 "[ . 1 . 2]" 1
62 1 9 PRO HA 1 32 VAL H . . 4.800 4.437 4.185 4.788 . 0 0 "[ . 1 . 2]" 1
63 1 9 PRO HA 1 33 TYR QD . . 4.180 3.663 2.915 3.877 . 0 0 "[ . 1 . 2]" 1
64 1 9 PRO HA 1 33 TYR QE . . 4.790 3.823 3.249 4.030 . 0 0 "[ . 1 . 2]" 1
65 1 9 PRO HA 1 34 ILE H . . 4.500 4.392 4.212 4.497 . 0 0 "[ . 1 . 2]" 1
66 1 9 PRO HA 1 62 LEU MD1 . . 4.710 3.810 3.298 4.166 . 0 0 "[ . 1 . 2]" 1
67 1 9 PRO HB2 1 10 ALA H . . 4.000 3.448 3.052 3.669 . 0 0 "[ . 1 . 2]" 1
68 1 9 PRO HB2 1 31 ILE MG . . 3.980 3.823 3.607 3.972 . 0 0 "[ . 1 . 2]" 1
69 1 9 PRO HB2 1 33 TYR QE . . 5.470 5.050 4.715 5.161 . 0 0 "[ . 1 . 2]" 1
70 1 9 PRO HB2 1 62 LEU H . . 4.880 3.888 3.437 4.374 . 0 0 "[ . 1 . 2]" 1
71 1 9 PRO HB2 1 62 LEU HB2 . . 3.670 2.364 2.009 2.849 . 0 0 "[ . 1 . 2]" 1
72 1 9 PRO HB2 1 62 LEU HB3 . . 4.460 3.779 3.364 4.214 . 0 0 "[ . 1 . 2]" 1
73 1 9 PRO HB2 1 62 LEU MD1 . . 3.690 2.099 1.944 2.414 . 0 0 "[ . 1 . 2]" 1
74 1 9 PRO HB3 1 10 ALA H . . 4.120 3.947 3.695 4.094 . 0 0 "[ . 1 . 2]" 1
75 1 9 PRO HB3 1 31 ILE MG . . 4.190 3.733 3.509 4.063 . 0 0 "[ . 1 . 2]" 1
76 1 9 PRO HB3 1 33 TYR QE . . 3.870 3.477 3.087 3.653 . 0 0 "[ . 1 . 2]" 1
77 1 9 PRO HB3 1 62 LEU HB2 . . 4.630 4.023 3.655 4.503 . 0 0 "[ . 1 . 2]" 1
78 1 9 PRO HB3 1 62 LEU MD1 . . 4.210 3.355 3.050 3.735 . 0 0 "[ . 1 . 2]" 1
79 1 9 PRO QD 1 33 TYR QD . . 4.780 3.598 3.544 3.697 . 0 0 "[ . 1 . 2]" 1
80 1 9 PRO QD 1 33 TYR QE . . 4.050 2.860 2.770 3.055 . 0 0 "[ . 1 . 2]" 1
81 1 9 PRO HD2 1 33 TYR QE . . 4.810 4.565 4.467 4.679 . 0 0 "[ . 1 . 2]" 1
82 1 9 PRO HD3 1 33 TYR QE . . 4.810 2.890 2.796 3.097 . 0 0 "[ . 1 . 2]" 1
83 1 9 PRO QG 1 33 TYR QE . . 4.120 4.116 4.095 4.124 0.004 13 0 "[ . 1 . 2]" 1
84 1 9 PRO QG 1 62 LEU H . . 4.640 3.603 3.004 4.113 . 0 0 "[ . 1 . 2]" 1
85 1 9 PRO QG 1 62 LEU HB2 . . 3.790 2.591 2.218 2.948 . 0 0 "[ . 1 . 2]" 1
86 1 9 PRO QG 1 62 LEU HB3 . . 4.480 3.906 3.613 4.294 . 0 0 "[ . 1 . 2]" 1
87 1 9 PRO QG 1 62 LEU MD1 . . 4.300 3.485 3.054 3.874 . 0 0 "[ . 1 . 2]" 1
88 1 10 ALA H 1 10 ALA MB . . 3.380 2.637 2.485 2.773 . 0 0 "[ . 1 . 2]" 1
89 1 10 ALA H 1 31 ILE HA . . 4.950 3.936 3.636 4.475 . 0 0 "[ . 1 . 2]" 1
90 1 10 ALA H 1 31 ILE MD . . 4.980 3.988 3.563 4.522 . 0 0 "[ . 1 . 2]" 1
91 1 10 ALA H 1 31 ILE MG . . 3.820 2.969 2.677 3.420 . 0 0 "[ . 1 . 2]" 1
92 1 10 ALA H 1 32 VAL MG2 . . 4.020 3.208 2.812 3.570 . 0 0 "[ . 1 . 2]" 1
93 1 10 ALA H 1 62 LEU MD1 . . 4.930 3.272 2.812 3.837 . 0 0 "[ . 1 . 2]" 1
94 1 10 ALA H 1 62 LEU HG . . 5.060 4.390 3.724 4.735 . 0 0 "[ . 1 . 2]" 1
95 1 10 ALA HA 1 11 ARG H . . 2.900 2.212 2.155 2.316 . 0 0 "[ . 1 . 2]" 1
96 1 10 ALA MB 1 11 ARG H . . 3.140 2.922 2.566 3.138 . 0 0 "[ . 1 . 2]" 1
97 1 10 ALA MB 1 32 VAL H . . 4.390 3.496 3.296 3.667 . 0 0 "[ . 1 . 2]" 1
98 1 10 ALA MB 1 32 VAL MG2 . . 3.110 2.151 1.856 2.575 . 0 0 "[ . 1 . 2]" 1
99 1 10 ALA MB 1 34 ILE H . . 4.780 3.724 3.419 4.074 . 0 0 "[ . 1 . 2]" 1
100 1 10 ALA MB 1 34 ILE MD . . 3.080 2.070 1.779 2.431 . 0 0 "[ . 1 . 2]" 1
101 1 10 ALA MB 1 34 ILE HG12 . . 4.360 3.846 3.519 4.112 . 0 0 "[ . 1 . 2]" 1
102 1 10 ALA MB 1 34 ILE QG . . 3.700 2.739 2.360 3.032 . 0 0 "[ . 1 . 2]" 1
103 1 10 ALA MB 1 34 ILE HG13 . . 4.360 2.805 2.395 3.121 . 0 0 "[ . 1 . 2]" 1
104 1 10 ALA MB 1 54 PHE QE . . 4.510 3.569 3.261 3.938 . 0 0 "[ . 1 . 2]" 1
105 1 10 ALA MB 1 59 ILE HA . . 5.000 4.635 4.332 4.862 . 0 0 "[ . 1 . 2]" 1
106 1 10 ALA MB 1 59 ILE HB . . 3.220 2.598 2.237 2.847 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA MB 1 59 ILE MD . . 2.910 2.015 1.894 2.296 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA MB 1 59 ILE QG . . 4.370 3.239 3.003 3.523 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA MB 1 59 ILE MG . . 3.640 3.352 3.203 3.591 . 0 0 "[ . 1 . 2]" 1
110 1 10 ALA MB 1 60 GLU H . . 4.230 3.281 2.993 3.551 . 0 0 "[ . 1 . 2]" 1
111 1 10 ALA MB 1 61 LEU H . . 4.890 4.220 3.694 4.892 0.002 5 0 "[ . 1 . 2]" 1
112 1 10 ALA MB 1 61 LEU HA . . 3.270 2.762 2.208 3.258 . 0 0 "[ . 1 . 2]" 1
113 1 10 ALA MB 1 61 LEU MD2 . . 3.230 2.699 2.150 3.167 . 0 0 "[ . 1 . 2]" 1
114 1 10 ALA MB 1 62 LEU H . . 3.960 3.707 3.297 3.965 0.005 13 0 "[ . 1 . 2]" 1
115 1 11 ARG H 1 11 ARG HB2 . . 3.610 2.889 2.537 3.090 . 0 0 "[ . 1 . 2]" 1
116 1 11 ARG H 1 11 ARG QB . . 3.090 2.413 2.306 2.534 . 0 0 "[ . 1 . 2]" 1
117 1 11 ARG H 1 11 ARG HB3 . . 3.610 2.614 2.389 2.789 . 0 0 "[ . 1 . 2]" 1
118 1 11 ARG H 1 11 ARG QG . . 4.130 4.032 3.933 4.094 . 0 0 "[ . 1 . 2]" 1
119 1 11 ARG H 1 59 ILE HB . . 4.140 3.671 3.211 4.125 . 0 0 "[ . 1 . 2]" 1
120 1 11 ARG H 1 59 ILE MD . . 4.090 3.600 3.188 4.013 . 0 0 "[ . 1 . 2]" 1
121 1 11 ARG H 1 60 GLU QB . . 4.770 3.838 3.123 4.437 . 0 0 "[ . 1 . 2]" 1
122 1 11 ARG H 1 60 GLU QG . . 4.200 3.380 2.257 4.185 . 0 0 "[ . 1 . 2]" 1
123 1 11 ARG H 1 61 LEU HA . . 4.360 4.011 3.720 4.358 . 0 0 "[ . 1 . 2]" 1
124 1 11 ARG H 1 62 LEU H . . 4.510 3.901 3.509 4.385 . 0 0 "[ . 1 . 2]" 1
125 1 11 ARG H 1 62 LEU MD1 . . 3.970 3.520 2.816 3.911 . 0 0 "[ . 1 . 2]" 1
126 1 11 ARG H 1 62 LEU MD2 . . 4.110 3.536 3.202 3.893 . 0 0 "[ . 1 . 2]" 1
127 1 11 ARG H 1 62 LEU HG . . 3.780 2.832 2.456 3.273 . 0 0 "[ . 1 . 2]" 1
128 1 11 ARG HA 1 11 ARG QG . . 3.370 2.420 2.294 2.609 . 0 0 "[ . 1 . 2]" 1
129 1 11 ARG HA 1 12 ALA H . . 2.790 2.175 2.146 2.229 . 0 0 "[ . 1 . 2]" 1
130 1 11 ARG HA 1 12 ALA MB . . 4.290 3.950 3.899 4.002 . 0 0 "[ . 1 . 2]" 1
131 1 11 ARG HA 1 31 ILE HA . . 3.310 2.804 2.272 3.075 . 0 0 "[ . 1 . 2]" 1
132 1 11 ARG HA 1 31 ILE MD . . 3.640 2.753 2.118 3.086 . 0 0 "[ . 1 . 2]" 1
133 1 11 ARG HA 1 31 ILE MG . . 4.820 4.263 3.286 4.598 . 0 0 "[ . 1 . 2]" 1
134 1 11 ARG HA 1 32 VAL H . . 4.030 3.751 3.381 4.007 . 0 0 "[ . 1 . 2]" 1
135 1 11 ARG HA 1 32 VAL MG2 . . 4.390 4.134 3.773 4.387 . 0 0 "[ . 1 . 2]" 1
136 1 11 ARG HA 1 62 LEU MD1 . . 4.740 3.810 3.197 4.158 . 0 0 "[ . 1 . 2]" 1
137 1 11 ARG QB 1 11 ARG QD . . 3.150 2.158 2.019 2.354 . 0 0 "[ . 1 . 2]" 1
138 1 11 ARG QB 1 31 ILE MD . . 4.250 2.611 1.943 3.244 . 0 0 "[ . 1 . 2]" 1
139 1 11 ARG QB 1 60 GLU QG . . 4.150 3.022 2.008 3.999 . 0 0 "[ . 1 . 2]" 1
140 1 11 ARG QB 1 62 LEU MD1 . . 3.770 2.583 1.961 3.128 . 0 0 "[ . 1 . 2]" 1
141 1 11 ARG QB 1 62 LEU MD2 . . 3.480 2.341 1.980 2.815 . 0 0 "[ . 1 . 2]" 1
142 1 11 ARG HB2 1 11 ARG HD2 . . 4.050 2.951 2.447 3.751 . 0 0 "[ . 1 . 2]" 1
143 1 11 ARG HB2 1 11 ARG HD3 . . 4.050 2.807 2.208 3.745 . 0 0 "[ . 1 . 2]" 1
144 1 11 ARG HB2 1 62 LEU MD2 . . 4.040 2.498 2.023 3.039 . 0 0 "[ . 1 . 2]" 1
145 1 11 ARG HB3 1 11 ARG HD2 . . 4.050 3.293 2.397 3.843 . 0 0 "[ . 1 . 2]" 1
146 1 11 ARG HB3 1 11 ARG HD3 . . 4.050 2.731 2.124 3.731 . 0 0 "[ . 1 . 2]" 1
147 1 11 ARG HB3 1 62 LEU MD2 . . 4.040 2.905 2.338 3.677 . 0 0 "[ . 1 . 2]" 1
148 1 11 ARG QD 1 29 GLY QA . . 3.800 3.216 2.452 3.795 . 0 0 "[ . 1 . 2]" 1
149 1 11 ARG QD 1 62 LEU MD2 . . 4.440 2.931 2.433 3.483 . 0 0 "[ . 1 . 2]" 1
150 1 11 ARG HD2 1 31 ILE MD . . 4.720 3.417 2.129 4.494 . 0 0 "[ . 1 . 2]" 1
151 1 11 ARG HD3 1 31 ILE MD . . 4.720 3.911 2.514 4.671 . 0 0 "[ . 1 . 2]" 1
152 1 11 ARG QG 1 12 ALA H . . 3.870 2.608 2.366 2.834 . 0 0 "[ . 1 . 2]" 1
153 1 11 ARG QG 1 29 GLY H . . 4.540 3.410 3.067 3.737 . 0 0 "[ . 1 . 2]" 1
154 1 11 ARG QG 1 29 GLY HA2 . . 4.180 2.479 2.208 2.836 . 0 0 "[ . 1 . 2]" 1
155 1 11 ARG QG 1 29 GLY QA . . 3.500 2.456 2.193 2.792 . 0 0 "[ . 1 . 2]" 1
156 1 11 ARG QG 1 29 GLY HA3 . . 4.180 3.983 3.710 4.181 0.001 11 0 "[ . 1 . 2]" 1
157 1 11 ARG QG 1 31 ILE MD . . 3.630 2.614 2.084 3.095 . 0 0 "[ . 1 . 2]" 1
158 1 11 ARG QG 1 60 GLU QB . . 5.340 4.728 3.895 5.264 . 0 0 "[ . 1 . 2]" 1
159 1 11 ARG QG 1 62 LEU MD2 . . 4.410 3.966 3.630 4.394 . 0 0 "[ . 1 . 2]" 1
160 1 12 ALA H 1 12 ALA MB . . 2.960 2.144 2.042 2.251 . 0 0 "[ . 1 . 2]" 1
161 1 12 ALA H 1 30 ASP H . . 4.270 2.536 2.120 4.012 . 0 0 "[ . 1 . 2]" 1
162 1 12 ALA H 1 30 ASP HB2 . . 4.890 3.777 3.326 4.898 0.008 17 0 "[ . 1 . 2]" 1
163 1 12 ALA H 1 30 ASP QB . . 4.290 3.573 3.217 4.249 . 0 0 "[ . 1 . 2]" 1
164 1 12 ALA H 1 30 ASP HB3 . . 4.890 4.557 4.267 4.840 . 0 0 "[ . 1 . 2]" 1
165 1 12 ALA H 1 31 ILE HA . . 4.340 4.073 3.236 4.342 0.002 19 0 "[ . 1 . 2]" 1
166 1 12 ALA H 1 31 ILE MD . . 4.640 4.189 3.498 4.496 . 0 0 "[ . 1 . 2]" 1
167 1 12 ALA H 1 32 VAL MG1 . . 5.040 4.514 4.126 4.893 . 0 0 "[ . 1 . 2]" 1
168 1 12 ALA H 1 32 VAL MG2 . . 4.670 4.484 4.158 4.657 . 0 0 "[ . 1 . 2]" 1
169 1 12 ALA H 1 59 ILE MG . . 4.670 3.963 3.733 4.308 . 0 0 "[ . 1 . 2]" 1
170 1 12 ALA HA 1 13 LYS H . . 2.730 2.148 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
171 1 12 ALA HA 1 13 LYS HA . . 4.700 4.410 4.382 4.441 . 0 0 "[ . 1 . 2]" 1
172 1 12 ALA HA 1 13 LYS HB2 . . 4.840 4.442 4.356 4.530 . 0 0 "[ . 1 . 2]" 1
173 1 12 ALA HA 1 13 LYS QG . . 4.330 4.138 3.973 4.320 . 0 0 "[ . 1 . 2]" 1
174 1 12 ALA HA 1 14 PHE H . . 4.180 3.726 3.584 3.953 . 0 0 "[ . 1 . 2]" 1
175 1 12 ALA HA 1 26 LEU MD1 . . 4.470 3.845 3.594 4.332 . 0 0 "[ . 1 . 2]" 1
176 1 12 ALA HA 1 59 ILE HA . . 3.150 2.122 2.000 2.329 . 0 0 "[ . 1 . 2]" 1
177 1 12 ALA HA 1 59 ILE HB . . 4.710 3.229 3.008 3.475 . 0 0 "[ . 1 . 2]" 1
178 1 12 ALA HA 1 59 ILE MG . . 3.140 2.181 1.977 2.511 . 0 0 "[ . 1 . 2]" 1
179 1 12 ALA HA 1 60 GLU H . . 4.150 3.801 3.446 4.102 . 0 0 "[ . 1 . 2]" 1
180 1 12 ALA MB 1 13 LYS H . . 3.680 3.336 3.220 3.432 . 0 0 "[ . 1 . 2]" 1
181 1 12 ALA MB 1 13 LYS HA . . 4.800 4.441 4.300 4.555 . 0 0 "[ . 1 . 2]" 1
182 1 12 ALA MB 1 14 PHE H . . 3.670 3.370 3.143 3.635 . 0 0 "[ . 1 . 2]" 1
183 1 12 ALA MB 1 26 LEU HB2 . . 3.670 3.152 2.707 3.509 . 0 0 "[ . 1 . 2]" 1
184 1 12 ALA MB 1 26 LEU HB3 . . 3.320 2.171 1.954 2.466 . 0 0 "[ . 1 . 2]" 1
185 1 12 ALA MB 1 26 LEU MD1 . . 3.350 2.859 2.414 3.201 . 0 0 "[ . 1 . 2]" 1
186 1 12 ALA MB 1 26 LEU MD2 . . 3.660 3.094 2.591 3.353 . 0 0 "[ . 1 . 2]" 1
187 1 12 ALA MB 1 27 GLN H . . 4.440 3.292 2.635 3.958 . 0 0 "[ . 1 . 2]" 1
188 1 12 ALA MB 1 28 LYS H . . 4.630 4.157 3.934 4.385 . 0 0 "[ . 1 . 2]" 1
189 1 12 ALA MB 1 28 LYS HA . . 3.350 2.877 2.618 3.201 . 0 0 "[ . 1 . 2]" 1
190 1 12 ALA MB 1 29 GLY H . . 3.370 2.625 2.143 3.126 . 0 0 "[ . 1 . 2]" 1
191 1 12 ALA MB 1 30 ASP H . . 3.320 2.204 1.867 3.005 . 0 0 "[ . 1 . 2]" 1
192 1 12 ALA MB 1 30 ASP HB2 . . 4.070 2.497 2.074 3.990 . 0 0 "[ . 1 . 2]" 1
193 1 12 ALA MB 1 30 ASP QB . . 3.310 2.375 2.060 3.157 . 0 0 "[ . 1 . 2]" 1
194 1 12 ALA MB 1 30 ASP HB3 . . 4.070 3.567 2.900 3.990 . 0 0 "[ . 1 . 2]" 1
195 1 12 ALA MB 1 58 TYR HB3 . . 4.640 4.250 3.859 4.495 . 0 0 "[ . 1 . 2]" 1
196 1 12 ALA MB 1 59 ILE HA . . 4.110 3.777 3.665 3.983 . 0 0 "[ . 1 . 2]" 1
197 1 12 ALA MB 1 59 ILE MG . . 3.500 2.620 2.337 3.031 . 0 0 "[ . 1 . 2]" 1
198 1 13 LYS H 1 13 LYS HB2 . . 3.410 2.339 2.245 2.424 . 0 0 "[ . 1 . 2]" 1
199 1 13 LYS H 1 13 LYS HB3 . . 4.090 3.566 3.532 3.595 . 0 0 "[ . 1 . 2]" 1
200 1 13 LYS H 1 13 LYS QG . . 3.250 2.560 2.326 2.824 . 0 0 "[ . 1 . 2]" 1
201 1 13 LYS H 1 14 PHE H . . 2.810 2.535 2.357 2.680 . 0 0 "[ . 1 . 2]" 1
202 1 13 LYS H 1 58 TYR HA . . 5.060 4.314 4.212 4.523 . 0 0 "[ . 1 . 2]" 1
203 1 13 LYS H 1 58 TYR HB3 . . 4.820 4.444 4.317 4.649 . 0 0 "[ . 1 . 2]" 1
204 1 13 LYS H 1 59 ILE HA . . 3.320 2.049 1.903 2.283 . 0 0 "[ . 1 . 2]" 1
205 1 13 LYS H 1 59 ILE MD . . 5.450 5.248 5.107 5.423 . 0 0 "[ . 1 . 2]" 1
206 1 13 LYS H 1 59 ILE MG . . 4.040 3.571 3.435 3.775 . 0 0 "[ . 1 . 2]" 1
207 1 13 LYS H 1 60 GLU H . . 4.320 4.013 3.749 4.305 . 0 0 "[ . 1 . 2]" 1
208 1 13 LYS HA 1 13 LYS QD . . 4.910 2.927 2.015 4.169 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS HA 1 13 LYS QG . . 3.470 2.468 2.222 2.778 . 0 0 "[ . 1 . 2]" 1
210 1 13 LYS HA 1 28 LYS HA . . 4.740 4.376 3.974 4.736 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS HA 1 28 LYS QG . . 4.260 3.766 3.536 4.050 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS HA 1 29 GLY H . . 4.770 4.169 3.926 4.416 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS HB2 1 13 LYS QE . . 4.120 3.136 2.295 3.460 . 0 0 "[ . 1 . 2]" 1
214 1 13 LYS HB2 1 14 PHE H . . 3.700 2.780 2.542 2.934 . 0 0 "[ . 1 . 2]" 1
215 1 13 LYS HB2 1 14 PHE QD . . 4.300 2.503 2.111 2.987 . 0 0 "[ . 1 . 2]" 1
216 1 13 LYS HB2 1 14 PHE QE . . 4.910 2.851 2.423 3.352 . 0 0 "[ . 1 . 2]" 1
217 1 13 LYS HB2 1 58 TYR HA . . 4.250 3.446 3.273 3.740 . 0 0 "[ . 1 . 2]" 1
218 1 13 LYS HB2 1 59 ILE HA . . 5.000 3.631 3.500 3.936 . 0 0 "[ . 1 . 2]" 1
219 1 13 LYS HB2 1 60 GLU H . . 5.500 5.361 5.020 5.500 0.000 3 0 "[ . 1 . 2]" 1
220 1 13 LYS HB3 1 13 LYS QD . . 3.630 2.473 2.178 2.772 . 0 0 "[ . 1 . 2]" 1
221 1 13 LYS HB3 1 13 LYS HE2 . . 4.270 3.161 2.084 3.877 . 0 0 "[ . 1 . 2]" 1
222 1 13 LYS HB3 1 13 LYS QE . . 3.670 2.267 2.022 2.680 . 0 0 "[ . 1 . 2]" 1
223 1 13 LYS HB3 1 13 LYS HE3 . . 4.270 2.515 2.037 3.515 . 0 0 "[ . 1 . 2]" 1
224 1 13 LYS HB3 1 14 PHE H . . 3.740 3.608 3.474 3.722 . 0 0 "[ . 1 . 2]" 1
225 1 13 LYS HB3 1 14 PHE QD . . 4.330 3.211 2.822 3.611 . 0 0 "[ . 1 . 2]" 1
226 1 13 LYS HB3 1 14 PHE QE . . 4.730 2.847 2.300 3.347 . 0 0 "[ . 1 . 2]" 1
227 1 13 LYS HB3 1 14 PHE HZ . . 5.160 3.781 3.433 4.095 . 0 0 "[ . 1 . 2]" 1
228 1 13 LYS HB3 1 58 TYR HA . . 5.490 4.856 4.508 5.096 . 0 0 "[ . 1 . 2]" 1
229 1 13 LYS QD 1 60 GLU QB . . 4.070 2.707 2.012 3.702 . 0 0 "[ . 1 . 2]" 1
230 1 13 LYS QE 1 14 PHE QE . . 3.950 2.915 2.005 3.804 . 0 0 "[ . 1 . 2]" 1
231 1 13 LYS HE2 1 14 PHE QE . . 4.520 3.713 2.639 4.522 0.002 10 0 "[ . 1 . 2]" 1
232 1 13 LYS HE2 1 14 PHE HZ . . 5.500 4.368 3.153 5.426 . 0 0 "[ . 1 . 2]" 1
233 1 13 LYS HE3 1 14 PHE QE . . 4.520 3.389 2.016 4.486 . 0 0 "[ . 1 . 2]" 1
234 1 13 LYS HE3 1 14 PHE HZ . . 5.500 3.806 3.054 4.964 . 0 0 "[ . 1 . 2]" 1
235 1 13 LYS QG 1 14 PHE H . . 4.940 4.218 4.091 4.348 . 0 0 "[ . 1 . 2]" 1
236 1 13 LYS QG 1 14 PHE QD . . 4.950 4.284 3.895 4.610 . 0 0 "[ . 1 . 2]" 1
237 1 13 LYS QG 1 14 PHE QE . . 5.380 3.804 3.194 4.374 . 0 0 "[ . 1 . 2]" 1
238 1 13 LYS QG 1 58 TYR HA . . 4.990 4.814 4.601 4.989 . 0 0 "[ . 1 . 2]" 1
239 1 13 LYS QG 1 59 ILE HA . . 3.920 3.177 2.906 3.480 . 0 0 "[ . 1 . 2]" 1
240 1 13 LYS QG 1 60 GLU H . . 4.270 3.639 3.441 4.118 . 0 0 "[ . 1 . 2]" 1
241 1 13 LYS QG 1 60 GLU HA . . 5.500 4.089 3.708 4.672 . 0 0 "[ . 1 . 2]" 1
242 1 13 LYS QG 1 60 GLU HB2 . . 4.510 3.077 2.226 4.305 . 0 0 "[ . 1 . 2]" 1
243 1 13 LYS QG 1 60 GLU QB . . 3.890 2.332 2.045 2.833 . 0 0 "[ . 1 . 2]" 1
244 1 13 LYS QG 1 60 GLU HB3 . . 4.510 2.626 2.102 3.012 . 0 0 "[ . 1 . 2]" 1
245 1 13 LYS QG 1 60 GLU QG . . 4.180 3.497 2.722 4.138 . 0 0 "[ . 1 . 2]" 1
246 1 14 PHE H 1 14 PHE HB2 . . 3.460 2.875 2.755 3.004 . 0 0 "[ . 1 . 2]" 1
247 1 14 PHE H 1 14 PHE QD . . 3.880 2.588 2.238 2.979 . 0 0 "[ . 1 . 2]" 1
248 1 14 PHE H 1 15 ASP H . . 4.620 4.434 4.366 4.460 . 0 0 "[ . 1 . 2]" 1
249 1 14 PHE H 1 28 LYS HA . . 4.310 4.111 3.765 4.305 . 0 0 "[ . 1 . 2]" 1
250 1 14 PHE H 1 29 GLY H . . 5.250 5.065 4.807 5.250 . 0 0 "[ . 1 . 2]" 1
251 1 14 PHE H 1 58 TYR HA . . 4.320 3.680 3.459 3.965 . 0 0 "[ . 1 . 2]" 1
252 1 14 PHE H 1 58 TYR HB3 . . 4.620 3.777 3.640 3.977 . 0 0 "[ . 1 . 2]" 1
253 1 14 PHE H 1 59 ILE HA . . 4.590 4.185 4.000 4.346 . 0 0 "[ . 1 . 2]" 1
254 1 14 PHE HB2 1 15 ASP H . . 4.130 3.340 3.020 3.768 . 0 0 "[ . 1 . 2]" 1
255 1 14 PHE HB2 1 58 TYR HA . . 4.630 3.652 3.272 4.124 . 0 0 "[ . 1 . 2]" 1
256 1 14 PHE HB2 1 58 TYR QD . . 4.310 2.775 2.276 3.227 . 0 0 "[ . 1 . 2]" 1
257 1 14 PHE HB2 1 58 TYR QE . . 4.150 3.475 2.860 3.943 . 0 0 "[ . 1 . 2]" 1
258 1 14 PHE HB3 1 15 ASP H . . 3.470 2.466 2.203 2.921 . 0 0 "[ . 1 . 2]" 1
259 1 14 PHE HB3 1 58 TYR QE . . 4.990 4.254 3.848 4.756 . 0 0 "[ . 1 . 2]" 1
260 1 14 PHE QD 1 15 ASP H . . 4.800 4.129 3.900 4.408 . 0 0 "[ . 1 . 2]" 1
261 1 14 PHE QD 1 58 TYR HA . . 3.320 2.235 2.003 2.537 . 0 0 "[ . 1 . 2]" 1
262 1 14 PHE QD 1 59 ILE H . . 5.500 5.188 4.903 5.396 . 0 0 "[ . 1 . 2]" 1
263 1 14 PHE QE 1 58 TYR HA . . 4.450 3.572 2.587 4.055 . 0 0 "[ . 1 . 2]" 1
264 1 15 ASP H 1 15 ASP HB2 . . 3.620 3.379 2.274 3.622 0.002 8 0 "[ . 1 . 2]" 1
265 1 15 ASP H 1 15 ASP QB . . 3.120 2.633 2.155 2.910 . 0 0 "[ . 1 . 2]" 1
266 1 15 ASP H 1 15 ASP HB3 . . 3.620 2.868 2.213 3.628 0.008 18 0 "[ . 1 . 2]" 1
267 1 15 ASP H 1 28 LYS H . . 4.440 4.145 3.244 4.442 0.002 6 0 "[ . 1 . 2]" 1
268 1 15 ASP H 1 28 LYS HA . . 5.320 4.514 3.956 4.912 . 0 0 "[ . 1 . 2]" 1
269 1 15 ASP H 1 28 LYS QB . . 3.980 3.390 2.874 3.769 . 0 0 "[ . 1 . 2]" 1
270 1 15 ASP H 1 28 LYS QD . . 5.340 4.708 3.716 5.340 0.000 4 0 "[ . 1 . 2]" 1
271 1 15 ASP HA 1 16 PHE H . . 2.850 2.163 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
272 1 15 ASP HA 1 26 LEU HB2 . . 4.830 4.139 3.433 4.642 . 0 0 "[ . 1 . 2]" 1
273 1 15 ASP HA 1 27 GLN HA . . 3.080 2.512 1.999 2.940 . 0 0 "[ . 1 . 2]" 1
274 1 15 ASP HA 1 28 LYS H . . 3.340 3.008 2.636 3.339 . 0 0 "[ . 1 . 2]" 1
275 1 15 ASP HA 1 28 LYS HA . . 5.130 4.168 3.798 4.608 . 0 0 "[ . 1 . 2]" 1
276 1 15 ASP QB 1 16 PHE H . . 3.720 3.366 2.855 3.671 . 0 0 "[ . 1 . 2]" 1
277 1 15 ASP QB 1 28 LYS H . . 4.560 2.836 2.199 3.543 . 0 0 "[ . 1 . 2]" 1
278 1 15 ASP HB2 1 16 PHE H . . 4.410 3.634 2.951 4.414 0.004 18 0 "[ . 1 . 2]" 1
279 1 15 ASP HB3 1 16 PHE H . . 4.410 4.150 3.615 4.415 0.005 15 0 "[ . 1 . 2]" 1
280 1 16 PHE H 1 16 PHE HB2 . . 3.940 2.911 2.697 3.181 . 0 0 "[ . 1 . 2]" 1
281 1 16 PHE H 1 16 PHE HB3 . . 3.530 2.572 2.409 2.744 . 0 0 "[ . 1 . 2]" 1
282 1 16 PHE H 1 16 PHE QD . . 4.720 4.237 4.126 4.352 . 0 0 "[ . 1 . 2]" 1
283 1 16 PHE H 1 26 LEU H . . 3.590 2.892 2.379 3.218 . 0 0 "[ . 1 . 2]" 1
284 1 16 PHE H 1 26 LEU HB2 . . 3.690 2.714 1.938 3.197 . 0 0 "[ . 1 . 2]" 1
285 1 16 PHE H 1 26 LEU HB3 . . 4.450 3.954 3.331 4.452 0.002 5 0 "[ . 1 . 2]" 1
286 1 16 PHE H 1 26 LEU MD1 . . 4.940 4.331 3.618 4.863 . 0 0 "[ . 1 . 2]" 1
287 1 16 PHE HA 1 16 PHE QD . . 3.360 2.856 2.217 3.134 . 0 0 "[ . 1 . 2]" 1
288 1 16 PHE HA 1 17 LYS H . . 3.080 2.217 2.138 2.434 . 0 0 "[ . 1 . 2]" 1
289 1 16 PHE HA 1 17 LYS QB . . 4.430 4.140 3.887 4.390 . 0 0 "[ . 1 . 2]" 1
290 1 16 PHE HA 1 58 TYR QD . . 5.260 3.442 2.904 4.172 . 0 0 "[ . 1 . 2]" 1
291 1 16 PHE HA 1 58 TYR QE . . 3.790 2.912 2.294 3.593 . 0 0 "[ . 1 . 2]" 1
292 1 16 PHE HB2 1 17 LYS H . . 5.100 4.096 3.786 4.391 . 0 0 "[ . 1 . 2]" 1
293 1 16 PHE HB2 1 26 LEU H . . 4.130 4.057 3.688 4.137 0.007 3 0 "[ . 1 . 2]" 1
294 1 16 PHE HB2 1 26 LEU HB2 . . 3.870 2.883 2.536 3.182 . 0 0 "[ . 1 . 2]" 1
295 1 16 PHE HB2 1 26 LEU MD1 . . 4.210 3.083 2.410 3.806 . 0 0 "[ . 1 . 2]" 1
296 1 16 PHE HB2 1 26 LEU HG . . 5.070 4.326 3.780 4.961 . 0 0 "[ . 1 . 2]" 1
297 1 16 PHE HB2 1 58 TYR QD . . 3.940 2.386 2.001 2.877 . 0 0 "[ . 1 . 2]" 1
298 1 16 PHE HB2 1 58 TYR QE . . 4.160 3.620 3.316 3.961 . 0 0 "[ . 1 . 2]" 1
299 1 16 PHE HB3 1 25 PRO HA . . 4.440 3.550 3.225 3.844 . 0 0 "[ . 1 . 2]" 1
300 1 16 PHE HB3 1 26 LEU H . . 3.380 2.421 2.045 2.632 . 0 0 "[ . 1 . 2]" 1
301 1 16 PHE HB3 1 26 LEU HB2 . . 3.560 2.049 1.996 2.333 . 0 0 "[ . 1 . 2]" 1
302 1 16 PHE HB3 1 26 LEU HB3 . . 4.150 3.771 3.663 4.051 . 0 0 "[ . 1 . 2]" 1
303 1 16 PHE HB3 1 26 LEU MD1 . . 4.070 2.831 2.224 3.379 . 0 0 "[ . 1 . 2]" 1
304 1 16 PHE HB3 1 26 LEU HG . . 4.270 2.980 2.572 3.581 . 0 0 "[ . 1 . 2]" 1
305 1 16 PHE HB3 1 58 TYR QD . . 4.630 4.031 3.668 4.422 . 0 0 "[ . 1 . 2]" 1
306 1 16 PHE HB3 1 58 TYR QE . . 5.420 5.067 4.702 5.418 . 0 0 "[ . 1 . 2]" 1
307 1 16 PHE QD 1 17 LYS H . . 4.190 3.244 2.845 3.699 . 0 0 "[ . 1 . 2]" 1
308 1 16 PHE QD 1 24 LEU H . . 4.940 4.340 3.843 4.658 . 0 0 "[ . 1 . 2]" 1
309 1 16 PHE QD 1 25 PRO HA . . 3.460 2.399 2.093 3.357 . 0 0 "[ . 1 . 2]" 1
310 1 16 PHE QD 1 26 LEU H . . 3.740 3.061 2.702 3.568 . 0 0 "[ . 1 . 2]" 1
311 1 16 PHE QD 1 26 LEU MD1 . . 4.350 3.524 2.938 4.052 . 0 0 "[ . 1 . 2]" 1
312 1 16 PHE QD 1 26 LEU HG . . 4.400 3.374 2.711 4.129 . 0 0 "[ . 1 . 2]" 1
313 1 16 PHE QD 1 54 PHE HA . . 5.170 4.628 4.032 4.928 . 0 0 "[ . 1 . 2]" 1
314 1 16 PHE QD 1 54 PHE HB2 . . 4.810 4.172 3.341 4.530 . 0 0 "[ . 1 . 2]" 1
315 1 16 PHE QD 1 54 PHE HB3 . . 4.650 3.900 2.775 4.419 . 0 0 "[ . 1 . 2]" 1
316 1 16 PHE QD 1 55 PRO HD2 . . 4.790 3.262 2.650 3.828 . 0 0 "[ . 1 . 2]" 1
317 1 16 PHE QD 1 55 PRO HG2 . . 4.580 3.332 2.585 4.294 . 0 0 "[ . 1 . 2]" 1
318 1 16 PHE QD 1 55 PRO HG3 . . 4.730 3.350 2.805 4.146 . 0 0 "[ . 1 . 2]" 1
319 1 16 PHE QD 1 58 TYR QE . . 4.150 3.056 2.376 3.596 . 0 0 "[ . 1 . 2]" 1
320 1 16 PHE QE 1 18 ALA HA . . 4.110 2.520 2.066 3.907 . 0 0 "[ . 1 . 2]" 1
321 1 16 PHE QE 1 18 ALA MB . . 4.240 2.956 2.655 3.987 . 0 0 "[ . 1 . 2]" 1
322 1 16 PHE QE 1 23 GLU HB2 . . 4.200 3.655 3.481 4.092 . 0 0 "[ . 1 . 2]" 1
323 1 16 PHE QE 1 23 GLU HB3 . . 3.850 2.124 2.000 2.481 . 0 0 "[ . 1 . 2]" 1
324 1 16 PHE QE 1 23 GLU HG2 . . 4.600 3.293 2.654 3.720 . 0 0 "[ . 1 . 2]" 1
325 1 16 PHE QE 1 23 GLU HG3 . . 4.740 4.551 4.136 4.741 0.001 18 0 "[ . 1 . 2]" 1
326 1 16 PHE QE 1 24 LEU H . . 3.950 3.219 2.619 3.718 . 0 0 "[ . 1 . 2]" 1
327 1 16 PHE QE 1 42 TRP HZ3 . . 4.800 3.753 3.217 4.109 . 0 0 "[ . 1 . 2]" 1
328 1 16 PHE QE 1 54 PHE HA . . 3.980 3.699 2.682 3.982 0.002 1 0 "[ . 1 . 2]" 1
329 1 16 PHE QE 1 54 PHE HB2 . . 4.830 4.472 3.715 4.761 . 0 0 "[ . 1 . 2]" 1
330 1 16 PHE QE 1 54 PHE HB3 . . 4.590 3.912 2.827 4.343 . 0 0 "[ . 1 . 2]" 1
331 1 16 PHE QE 1 54 PHE QD . . 5.500 5.256 4.587 5.502 0.002 13 0 "[ . 1 . 2]" 1
332 1 16 PHE QE 1 55 PRO HD2 . . 4.510 3.082 2.526 3.732 . 0 0 "[ . 1 . 2]" 1
333 1 16 PHE QE 1 55 PRO HD3 . . 4.540 2.763 2.065 3.550 . 0 0 "[ . 1 . 2]" 1
334 1 16 PHE QE 1 55 PRO HG2 . . 4.410 3.664 3.136 4.409 . 0 0 "[ . 1 . 2]" 1
335 1 16 PHE QE 1 55 PRO HG3 . . 4.660 2.558 2.004 3.465 . 0 0 "[ . 1 . 2]" 1
336 1 16 PHE HZ 1 18 ALA HA . . 4.270 3.950 3.551 4.273 0.003 19 0 "[ . 1 . 2]" 1
337 1 16 PHE HZ 1 23 GLU HB2 . . 4.600 4.321 4.039 4.585 . 0 0 "[ . 1 . 2]" 1
338 1 16 PHE HZ 1 23 GLU HB3 . . 4.740 3.255 2.847 3.587 . 0 0 "[ . 1 . 2]" 1
339 1 16 PHE HZ 1 23 GLU HG2 . . 4.800 2.807 2.270 3.456 . 0 0 "[ . 1 . 2]" 1
340 1 16 PHE HZ 1 42 TRP HH2 . . 3.910 3.299 2.552 3.873 . 0 0 "[ . 1 . 2]" 1
341 1 16 PHE HZ 1 42 TRP HZ3 . . 4.200 3.181 2.690 3.510 . 0 0 "[ . 1 . 2]" 1
342 1 16 PHE HZ 1 54 PHE HA . . 4.650 3.837 3.446 4.118 . 0 0 "[ . 1 . 2]" 1
343 1 16 PHE HZ 1 55 PRO HD2 . . 4.810 3.915 3.505 4.312 . 0 0 "[ . 1 . 2]" 1
344 1 16 PHE HZ 1 55 PRO HD3 . . 4.710 3.261 2.734 3.790 . 0 0 "[ . 1 . 2]" 1
345 1 17 LYS H 1 17 LYS QB . . 3.380 2.471 2.253 2.995 . 0 0 "[ . 1 . 2]" 1
346 1 17 LYS H 1 17 LYS HG2 . . 4.980 4.035 1.970 4.874 . 0 0 "[ . 1 . 2]" 1
347 1 17 LYS H 1 17 LYS QG . . 4.270 3.389 1.957 4.175 . 0 0 "[ . 1 . 2]" 1
348 1 17 LYS H 1 17 LYS HG3 . . 4.980 3.821 2.777 4.794 . 0 0 "[ . 1 . 2]" 1
349 1 17 LYS HA 1 17 LYS QD . . 4.440 3.628 2.053 4.356 . 0 0 "[ . 1 . 2]" 1
350 1 17 LYS HA 1 17 LYS HG2 . . 4.070 2.879 2.198 3.762 . 0 0 "[ . 1 . 2]" 1
351 1 17 LYS HA 1 17 LYS HG3 . . 4.070 3.007 2.274 3.846 . 0 0 "[ . 1 . 2]" 1
352 1 17 LYS HA 1 18 ALA H . . 2.580 2.150 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
353 1 17 LYS HA 1 18 ALA MB . . 4.290 3.971 3.915 4.034 . 0 0 "[ . 1 . 2]" 1
354 1 17 LYS HA 1 25 PRO HA . . 4.380 3.239 2.961 3.426 . 0 0 "[ . 1 . 2]" 1
355 1 17 LYS HA 1 25 PRO QB . . 4.110 3.206 3.124 3.297 . 0 0 "[ . 1 . 2]" 1
356 1 17 LYS HA 1 26 LEU H . . 4.710 3.979 3.692 4.202 . 0 0 "[ . 1 . 2]" 1
357 1 17 LYS QB 1 18 ALA H . . 3.960 3.560 3.170 3.925 . 0 0 "[ . 1 . 2]" 1
358 1 17 LYS QG 1 18 ALA H . . 4.300 3.739 2.730 4.238 . 0 0 "[ . 1 . 2]" 1
359 1 18 ALA H 1 18 ALA MB . . 2.790 2.214 2.070 2.345 . 0 0 "[ . 1 . 2]" 1
360 1 18 ALA H 1 19 GLN H . . 4.500 4.367 4.183 4.477 . 0 0 "[ . 1 . 2]" 1
361 1 18 ALA H 1 25 PRO HA . . 3.640 2.689 2.313 3.079 . 0 0 "[ . 1 . 2]" 1
362 1 18 ALA H 1 25 PRO QB . . 3.420 2.446 2.285 2.595 . 0 0 "[ . 1 . 2]" 1
363 1 18 ALA H 1 25 PRO HG2 . . 5.500 5.192 5.052 5.311 . 0 0 "[ . 1 . 2]" 1
364 1 18 ALA H 1 25 PRO HG3 . . 4.340 4.342 4.320 4.348 0.008 7 0 "[ . 1 . 2]" 1
365 1 18 ALA HA 1 19 GLN H . . 2.750 2.156 2.142 2.233 . 0 0 "[ . 1 . 2]" 1
366 1 18 ALA HA 1 19 GLN HA . . 4.730 4.416 4.371 4.500 . 0 0 "[ . 1 . 2]" 1
367 1 18 ALA HA 1 19 GLN QB . . 4.570 4.330 4.177 4.576 0.006 19 0 "[ . 1 . 2]" 1
368 1 18 ALA HA 1 20 THR H . . 3.920 3.798 3.553 3.915 . 0 0 "[ . 1 . 2]" 1
369 1 18 ALA HA 1 23 GLU HB2 . . 3.710 2.941 2.674 3.156 . 0 0 "[ . 1 . 2]" 1
370 1 18 ALA HA 1 23 GLU HB3 . . 3.640 2.559 2.359 2.819 . 0 0 "[ . 1 . 2]" 1
371 1 18 ALA MB 1 19 GLN H . . 3.630 3.352 3.100 3.551 . 0 0 "[ . 1 . 2]" 1
372 1 18 ALA MB 1 19 GLN HA . . 4.970 4.487 4.336 4.608 . 0 0 "[ . 1 . 2]" 1
373 1 18 ALA MB 1 20 THR H . . 3.670 3.442 3.245 3.668 . 0 0 "[ . 1 . 2]" 1
374 1 18 ALA MB 1 23 GLU H . . 4.090 3.622 3.431 3.817 . 0 0 "[ . 1 . 2]" 1
375 1 18 ALA MB 1 23 GLU HB2 . . 3.340 2.706 2.459 2.937 . 0 0 "[ . 1 . 2]" 1
376 1 18 ALA MB 1 23 GLU HB3 . . 3.530 2.470 2.194 2.650 . 0 0 "[ . 1 . 2]" 1
377 1 18 ALA MB 1 23 GLU HG2 . . 4.650 4.505 4.253 4.651 0.001 4 0 "[ . 1 . 2]" 1
378 1 18 ALA MB 1 23 GLU HG3 . . 4.850 4.755 4.580 4.856 0.006 15 0 "[ . 1 . 2]" 1
379 1 18 ALA MB 1 24 LEU HA . . 4.420 2.550 2.364 2.878 . 0 0 "[ . 1 . 2]" 1
380 1 18 ALA MB 1 25 PRO HA . . 3.540 2.750 2.589 2.869 . 0 0 "[ . 1 . 2]" 1
381 1 18 ALA MB 1 25 PRO HB2 . . 4.370 4.115 3.838 4.266 . 0 0 "[ . 1 . 2]" 1
382 1 18 ALA MB 1 25 PRO QB . . 3.570 2.802 2.399 3.005 . 0 0 "[ . 1 . 2]" 1
383 1 18 ALA MB 1 25 PRO HB3 . . 4.370 2.853 2.424 3.071 . 0 0 "[ . 1 . 2]" 1
384 1 18 ALA MB 1 25 PRO HD2 . . 4.110 3.230 3.121 3.413 . 0 0 "[ . 1 . 2]" 1
385 1 18 ALA MB 1 25 PRO QD . . 3.370 1.942 1.855 2.095 . 0 0 "[ . 1 . 2]" 1
386 1 18 ALA MB 1 25 PRO HD3 . . 4.110 1.958 1.868 2.115 . 0 0 "[ . 1 . 2]" 1
387 1 18 ALA MB 1 25 PRO HG2 . . 4.210 4.116 3.964 4.211 0.001 20 0 "[ . 1 . 2]" 1
388 1 18 ALA MB 1 25 PRO HG3 . . 3.620 3.397 3.174 3.534 . 0 0 "[ . 1 . 2]" 1
389 1 18 ALA MB 1 26 LEU H . . 4.790 4.706 4.540 4.800 0.010 15 0 "[ . 1 . 2]" 1
390 1 19 GLN H 1 19 GLN HB2 . . 3.890 2.587 2.201 3.585 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLN H 1 19 GLN QB . . 3.110 2.382 2.180 2.733 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLN H 1 19 GLN HB3 . . 3.890 3.396 2.645 3.593 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLN H 1 19 GLN HG2 . . 4.210 2.977 1.915 3.983 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLN H 1 19 GLN QG . . 3.630 2.474 1.870 3.495 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLN H 1 19 GLN HG3 . . 4.210 3.127 2.089 3.998 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLN H 1 20 THR H . . 2.890 2.632 2.323 2.820 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLN H 1 23 GLU HB2 . . 4.040 3.167 2.834 3.470 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLN H 1 23 GLU HB3 . . 4.660 3.794 3.547 4.102 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLN HA 1 19 GLN HG2 . . 4.080 2.966 2.281 3.757 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLN HA 1 19 GLN QG . . 3.300 2.674 2.214 3.334 0.034 2 0 "[ . 1 . 2]" 1
401 1 19 GLN HA 1 19 GLN HG3 . . 4.080 3.296 2.495 3.942 . 0 0 "[ . 1 . 2]" 1
402 1 19 GLN HA 1 20 THR MG . . 5.220 4.104 3.813 4.445 . 0 0 "[ . 1 . 2]" 1
403 1 19 GLN QB 1 20 THR H . . 3.510 2.766 2.460 3.507 . 0 0 "[ . 1 . 2]" 1
404 1 19 GLN QB 1 20 THR MG . . 3.400 2.720 2.522 3.138 . 0 0 "[ . 1 . 2]" 1
405 1 19 GLN HB2 1 20 THR MG . . 3.940 3.312 2.554 3.806 . 0 0 "[ . 1 . 2]" 1
406 1 19 GLN HB3 1 20 THR MG . . 3.940 3.111 2.676 3.938 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLN QG 1 20 THR H . . 4.820 3.813 1.967 4.540 . 0 0 "[ . 1 . 2]" 1
408 1 20 THR H 1 20 THR MG . . 3.640 3.039 2.633 3.348 . 0 0 "[ . 1 . 2]" 1
409 1 20 THR H 1 23 GLU HB2 . . 3.320 2.814 2.636 2.999 . 0 0 "[ . 1 . 2]" 1
410 1 20 THR H 1 23 GLU HB3 . . 4.380 4.329 4.129 4.384 0.004 3 0 "[ . 1 . 2]" 1
411 1 20 THR HB 1 21 LEU H . . 4.420 2.164 1.910 2.701 . 0 0 "[ . 1 . 2]" 1
412 1 20 THR HB 1 21 LEU QB . . 5.340 3.709 3.509 4.130 . 0 0 "[ . 1 . 2]" 1
413 1 20 THR HB 1 22 LYS H . . 3.740 3.135 2.920 3.596 . 0 0 "[ . 1 . 2]" 1
414 1 20 THR HB 1 22 LYS HB2 . . 5.500 4.240 3.717 4.667 . 0 0 "[ . 1 . 2]" 1
415 1 20 THR HB 1 22 LYS HB3 . . 5.500 4.825 4.092 5.489 . 0 0 "[ . 1 . 2]" 1
416 1 20 THR MG 1 22 LYS H . . 4.570 4.495 4.315 4.569 . 0 0 "[ . 1 . 2]" 1
417 1 21 LEU HA 1 21 LEU MD1 . . 4.270 2.861 1.985 3.930 . 0 0 "[ . 1 . 2]" 1
418 1 21 LEU HA 1 21 LEU QD . . 3.040 2.373 1.971 3.072 0.032 15 0 "[ . 1 . 2]" 1
419 1 21 LEU HA 1 21 LEU MD2 . . 4.270 3.286 2.076 4.114 . 0 0 "[ . 1 . 2]" 1
420 1 21 LEU HA 1 21 LEU HG . . 3.760 2.905 2.336 3.744 . 0 0 "[ . 1 . 2]" 1
421 1 21 LEU HA 1 23 GLU H . . 4.470 4.118 3.991 4.286 . 0 0 "[ . 1 . 2]" 1
422 1 21 LEU QB 1 22 LYS H . . 4.020 2.511 2.305 3.347 . 0 0 "[ . 1 . 2]" 1
423 1 22 LYS H 1 22 LYS HB2 . . 4.070 2.310 2.169 2.537 . 0 0 "[ . 1 . 2]" 1
424 1 22 LYS H 1 22 LYS HB3 . . 4.070 3.021 2.528 3.580 . 0 0 "[ . 1 . 2]" 1
425 1 22 LYS H 1 22 LYS QG . . 4.050 3.582 2.561 4.052 0.002 4 0 "[ . 1 . 2]" 1
426 1 22 LYS H 1 23 GLU H . . 3.130 2.979 2.832 3.087 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS HA 1 22 LYS QD . . 4.030 3.273 2.067 4.021 . 0 0 "[ . 1 . 2]" 1
428 1 22 LYS HA 1 22 LYS QG . . 3.720 2.385 2.128 2.984 . 0 0 "[ . 1 . 2]" 1
429 1 22 LYS QB 1 23 GLU H . . 3.900 2.532 2.380 2.698 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS QB 1 53 ILE MD . . 4.280 3.827 3.192 4.202 . 0 0 "[ . 1 . 2]" 1
431 1 22 LYS QB 1 53 ILE QG . . 4.120 3.717 3.165 4.023 . 0 0 "[ . 1 . 2]" 1
432 1 22 LYS QB 1 53 ILE MG . . 5.340 4.641 3.958 5.041 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS QD 1 53 ILE MD . . 4.270 3.394 2.226 4.167 . 0 0 "[ . 1 . 2]" 1
434 1 22 LYS QD 1 53 ILE QG . . 5.340 3.890 1.927 4.964 . 0 0 "[ . 1 . 2]" 1
435 1 22 LYS QD 1 53 ILE MG . . 5.300 4.084 2.673 5.207 . 0 0 "[ . 1 . 2]" 1
436 1 22 LYS QE 1 53 ILE MD . . 4.420 3.041 1.859 4.235 . 0 0 "[ . 1 . 2]" 1
437 1 22 LYS QE 1 53 ILE QG . . 5.340 4.073 3.077 5.197 . 0 0 "[ . 1 . 2]" 1
438 1 22 LYS QE 1 53 ILE MG . . 4.950 4.101 3.083 4.675 . 0 0 "[ . 1 . 2]" 1
439 1 22 LYS QG 1 23 GLU H . . 4.870 3.994 3.422 4.448 . 0 0 "[ . 1 . 2]" 1
440 1 23 GLU H 1 23 GLU HB2 . . 3.130 2.291 2.255 2.335 . 0 0 "[ . 1 . 2]" 1
441 1 23 GLU H 1 23 GLU HB3 . . 3.770 3.548 3.510 3.588 . 0 0 "[ . 1 . 2]" 1
442 1 23 GLU H 1 23 GLU HG2 . . 4.730 4.307 4.127 4.396 . 0 0 "[ . 1 . 2]" 1
443 1 23 GLU H 1 23 GLU HG3 . . 3.420 3.186 3.036 3.329 . 0 0 "[ . 1 . 2]" 1
444 1 23 GLU H 1 24 LEU H . . 4.890 4.561 4.540 4.569 . 0 0 "[ . 1 . 2]" 1
445 1 23 GLU H 1 53 ILE H . . 5.240 4.405 4.093 4.667 . 0 0 "[ . 1 . 2]" 1
446 1 23 GLU H 1 53 ILE QG . . 4.880 4.061 3.777 4.229 . 0 0 "[ . 1 . 2]" 1
447 1 23 GLU HB2 1 24 LEU H . . 4.680 3.917 3.747 4.086 . 0 0 "[ . 1 . 2]" 1
448 1 23 GLU HB3 1 24 LEU H . . 3.790 2.590 2.341 2.882 . 0 0 "[ . 1 . 2]" 1
449 1 23 GLU HG2 1 42 TRP HH2 . . 4.740 3.773 3.280 4.369 . 0 0 "[ . 1 . 2]" 1
450 1 23 GLU HG2 1 42 TRP HZ3 . . 4.680 2.573 2.029 2.922 . 0 0 "[ . 1 . 2]" 1
451 1 23 GLU HG2 1 53 ILE MD . . 4.210 3.333 2.729 3.859 . 0 0 "[ . 1 . 2]" 1
452 1 23 GLU HG2 1 53 ILE HG12 . . 4.390 3.637 3.201 4.156 . 0 0 "[ . 1 . 2]" 1
453 1 23 GLU HG2 1 53 ILE QG . . 3.650 2.498 1.992 2.871 . 0 0 "[ . 1 . 2]" 1
454 1 23 GLU HG2 1 53 ILE HG13 . . 4.390 2.552 2.012 2.954 . 0 0 "[ . 1 . 2]" 1
455 1 23 GLU HG3 1 24 LEU H . . 4.700 4.411 4.253 4.629 . 0 0 "[ . 1 . 2]" 1
456 1 23 GLU HG3 1 53 ILE MD . . 4.440 2.843 2.116 3.347 . 0 0 "[ . 1 . 2]" 1
457 1 23 GLU HG3 1 53 ILE HG12 . . 4.640 3.080 2.630 3.497 . 0 0 "[ . 1 . 2]" 1
458 1 23 GLU HG3 1 53 ILE QG . . 3.980 2.618 2.209 2.962 . 0 0 "[ . 1 . 2]" 1
459 1 23 GLU HG3 1 53 ILE HG13 . . 4.640 2.858 2.366 3.292 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU H 1 24 LEU HB2 . . 3.440 3.164 2.978 3.297 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU H 1 24 LEU HB3 . . 3.270 2.554 2.394 2.717 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU H 1 24 LEU MD1 . . 4.740 4.494 4.359 4.573 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU H 1 24 LEU QD . . 4.130 3.886 3.813 3.983 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU H 1 24 LEU MD2 . . 4.740 4.256 4.129 4.472 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU H 1 24 LEU HG . . 4.630 4.370 4.189 4.506 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU H 1 52 GLY HA3 . . 4.460 3.616 3.418 3.944 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU H 1 53 ILE H . . 3.710 3.051 2.511 3.659 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU H 1 53 ILE QG . . 4.300 3.708 3.316 4.059 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU H 1 53 ILE MG . . 5.470 5.149 4.852 5.471 0.001 12 0 "[ . 1 . 2]" 1
470 1 24 LEU H 1 54 PHE HB3 . . 4.450 3.382 3.211 3.617 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU H 1 54 PHE QD . . 4.310 3.522 3.163 3.832 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HA 1 24 LEU MD1 . . 4.250 2.511 2.242 2.740 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU HA 1 24 LEU QD . . 3.000 2.483 2.230 2.695 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HA 1 24 LEU MD2 . . 4.250 3.969 3.928 4.015 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HA 1 24 LEU HG . . 4.240 2.964 2.811 3.199 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU HA 1 25 PRO HD2 . . 3.020 2.118 2.087 2.180 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU HA 1 25 PRO HD3 . . 3.020 2.258 2.253 2.264 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU HA 1 25 PRO HG2 . . 4.810 4.286 4.262 4.336 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU HB2 1 24 LEU MD1 . . 3.620 2.133 1.987 2.265 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU HB2 1 24 LEU MD2 . . 3.620 2.649 2.509 2.722 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU HB2 1 25 PRO QD . . 4.740 3.457 3.277 3.604 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU HB2 1 52 GLY H . . 4.500 3.153 2.881 3.339 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU HB2 1 52 GLY HA2 . . 4.510 3.777 3.584 3.907 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU HB2 1 52 GLY HA3 . . 3.590 2.134 1.999 2.311 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU HB2 1 53 ILE H . . 4.490 3.713 3.120 4.279 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU HB2 1 54 PHE QD . . 3.900 3.807 3.599 3.905 0.005 6 0 "[ . 1 . 2]" 1
487 1 24 LEU HB3 1 26 LEU MD2 . . 4.610 3.874 3.352 4.397 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU HB3 1 52 GLY H . . 4.760 4.012 3.750 4.302 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU HB3 1 52 GLY HA2 . . 5.500 4.848 4.462 5.198 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU HB3 1 52 GLY HA3 . . 4.410 3.310 2.920 3.660 . 0 0 "[ . 1 . 2]" 1
491 1 24 LEU HB3 1 53 ILE H . . 4.820 3.868 3.389 4.427 . 0 0 "[ . 1 . 2]" 1
492 1 24 LEU HB3 1 54 PHE HB3 . . 4.240 3.576 3.312 3.932 . 0 0 "[ . 1 . 2]" 1
493 1 24 LEU HB3 1 54 PHE QD . . 3.330 2.305 2.171 2.418 . 0 0 "[ . 1 . 2]" 1
494 1 24 LEU HB3 1 54 PHE QE . . 4.820 3.712 3.282 4.012 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU QD 1 25 PRO QD . . 3.060 1.918 1.813 1.990 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU QD 1 25 PRO HG2 . . 4.630 3.136 2.649 3.433 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU QD 1 26 LEU MD2 . . 3.230 2.160 1.921 2.546 . 0 0 "[ . 1 . 2]" 1
498 1 24 LEU QD 1 32 VAL HB . . 4.680 3.750 3.509 4.108 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU QD 1 32 VAL MG1 . . 3.480 2.814 2.533 3.147 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU QD 1 45 GLY H . . 4.130 3.574 2.930 4.028 . 0 0 "[ . 1 . 2]" 1
501 1 24 LEU QD 1 46 GLU H . . 4.900 3.923 3.568 4.306 . 0 0 "[ . 1 . 2]" 1
502 1 24 LEU QD 1 47 HIS H . . 3.250 2.622 2.310 3.023 . 0 0 "[ . 1 . 2]" 1
503 1 24 LEU QD 1 47 HIS HA . . 4.770 3.725 3.488 3.930 . 0 0 "[ . 1 . 2]" 1
504 1 24 LEU QD 1 47 HIS HB2 . . 3.550 2.182 1.902 2.700 . 0 0 "[ . 1 . 2]" 1
505 1 24 LEU QD 1 47 HIS HB3 . . 3.300 1.924 1.763 2.196 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU QD 1 47 HIS HD2 . . 5.020 4.382 3.527 4.647 . 0 0 "[ . 1 . 2]" 1
507 1 24 LEU QD 1 50 ARG H . . 4.680 3.574 3.387 3.764 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU QD 1 50 ARG HA . . 5.200 3.812 3.628 3.976 . 0 0 "[ . 1 . 2]" 1
509 1 24 LEU QD 1 50 ARG QB . . 3.090 1.932 1.804 2.198 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU QD 1 50 ARG QD . . 3.560 2.658 2.086 3.562 0.002 11 0 "[ . 1 . 2]" 1
511 1 24 LEU QD 1 50 ARG QG . . 3.290 2.185 1.727 2.788 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU QD 1 51 VAL H . . 4.680 3.566 3.063 4.099 . 0 0 "[ . 1 . 2]" 1
513 1 24 LEU QD 1 51 VAL HA . . 3.750 2.887 2.233 3.376 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU QD 1 52 GLY H . . 3.470 2.933 2.551 3.076 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU QD 1 54 PHE QD . . 3.470 2.638 2.171 3.116 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU QD 1 54 PHE QE . . 3.620 2.495 2.101 2.775 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU MD1 1 26 LEU MD2 . . 4.080 3.998 3.659 4.087 0.007 5 0 "[ . 1 . 2]" 1
518 1 24 LEU MD1 1 46 GLU HA . . 4.190 3.441 3.027 3.986 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU MD1 1 47 HIS H . . 3.780 2.850 2.423 3.372 . 0 0 "[ . 1 . 2]" 1
520 1 24 LEU MD1 1 47 HIS HB2 . . 4.080 3.537 2.957 3.908 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU MD1 1 47 HIS HB3 . . 3.900 2.321 1.970 2.717 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU MD1 1 51 VAL HA . . 4.350 3.106 2.277 3.753 . 0 0 "[ . 1 . 2]" 1
523 1 24 LEU MD1 1 52 GLY H . . 4.160 3.434 2.816 3.947 . 0 0 "[ . 1 . 2]" 1
524 1 24 LEU MD1 1 52 GLY HA3 . . 4.440 3.494 3.078 3.900 . 0 0 "[ . 1 . 2]" 1
525 1 24 LEU MD1 1 54 PHE QD . . 4.880 4.753 4.624 4.884 0.004 7 0 "[ . 1 . 2]" 1
526 1 24 LEU MD1 1 54 PHE QE . . 4.940 4.845 4.525 4.943 0.003 19 0 "[ . 1 . 2]" 1
527 1 24 LEU MD2 1 26 LEU MD2 . . 4.080 2.170 1.925 2.572 . 0 0 "[ . 1 . 2]" 1
528 1 24 LEU MD2 1 46 GLU HA . . 4.190 3.034 2.739 3.503 . 0 0 "[ . 1 . 2]" 1
529 1 24 LEU MD2 1 47 HIS H . . 3.780 3.115 2.613 3.491 . 0 0 "[ . 1 . 2]" 1
530 1 24 LEU MD2 1 47 HIS HB2 . . 4.080 2.206 1.914 2.753 . 0 0 "[ . 1 . 2]" 1
531 1 24 LEU MD2 1 47 HIS HB3 . . 3.900 2.111 1.949 2.544 . 0 0 "[ . 1 . 2]" 1
532 1 24 LEU MD2 1 51 VAL HA . . 4.350 3.522 3.228 3.918 . 0 0 "[ . 1 . 2]" 1
533 1 24 LEU MD2 1 52 GLY H . . 4.160 3.229 2.917 3.486 . 0 0 "[ . 1 . 2]" 1
534 1 24 LEU MD2 1 52 GLY HA3 . . 4.440 4.062 3.838 4.254 . 0 0 "[ . 1 . 2]" 1
535 1 24 LEU MD2 1 54 PHE QD . . 4.880 2.652 2.175 3.152 . 0 0 "[ . 1 . 2]" 1
536 1 24 LEU MD2 1 54 PHE QE . . 4.940 2.503 2.105 2.790 . 0 0 "[ . 1 . 2]" 1
537 1 24 LEU HG 1 25 PRO QD . . 4.360 2.392 2.062 2.895 . 0 0 "[ . 1 . 2]" 1
538 1 24 LEU HG 1 26 LEU MD2 . . 3.840 3.022 2.566 3.259 . 0 0 "[ . 1 . 2]" 1
539 1 24 LEU HG 1 52 GLY H . . 5.500 5.448 5.094 5.503 0.003 8 0 "[ . 1 . 2]" 1
540 1 25 PRO HA 1 26 LEU H . . 2.740 2.211 2.162 2.303 . 0 0 "[ . 1 . 2]" 1
541 1 25 PRO QB 1 26 LEU H . . 3.670 3.047 2.771 3.251 . 0 0 "[ . 1 . 2]" 1
542 1 25 PRO HB2 1 26 LEU H . . 4.280 3.211 2.881 3.459 . 0 0 "[ . 1 . 2]" 1
543 1 25 PRO HB3 1 26 LEU H . . 4.280 3.795 3.598 3.951 . 0 0 "[ . 1 . 2]" 1
544 1 25 PRO QD 1 50 ARG QD . . 3.970 2.858 2.117 3.973 0.003 11 0 "[ . 1 . 2]" 1
545 1 26 LEU H 1 26 LEU HB2 . . 3.560 2.783 2.583 2.924 . 0 0 "[ . 1 . 2]" 1
546 1 26 LEU H 1 26 LEU HB3 . . 4.140 3.852 3.746 3.926 . 0 0 "[ . 1 . 2]" 1
547 1 26 LEU H 1 26 LEU MD1 . . 4.380 4.092 3.925 4.306 . 0 0 "[ . 1 . 2]" 1
548 1 26 LEU H 1 26 LEU MD2 . . 4.440 3.981 3.719 4.170 . 0 0 "[ . 1 . 2]" 1
549 1 26 LEU H 1 26 LEU HG . . 3.750 3.108 2.858 3.434 . 0 0 "[ . 1 . 2]" 1
550 1 26 LEU HA 1 26 LEU MD1 . . 4.700 3.917 3.857 3.971 . 0 0 "[ . 1 . 2]" 1
551 1 26 LEU HA 1 26 LEU MD2 . . 3.070 2.257 1.972 2.565 . 0 0 "[ . 1 . 2]" 1
552 1 26 LEU HA 1 26 LEU HG . . 3.960 3.071 2.942 3.207 . 0 0 "[ . 1 . 2]" 1
553 1 26 LEU HA 1 27 GLN H . . 2.980 2.255 2.144 2.426 . 0 0 "[ . 1 . 2]" 1
554 1 26 LEU HB2 1 26 LEU MD1 . . 3.410 2.227 2.080 2.333 . 0 0 "[ . 1 . 2]" 1
555 1 26 LEU HB2 1 26 LEU MD2 . . 3.580 3.173 3.137 3.190 . 0 0 "[ . 1 . 2]" 1
556 1 26 LEU HB2 1 27 GLN H . . 4.550 3.929 3.423 4.406 . 0 0 "[ . 1 . 2]" 1
557 1 26 LEU HB3 1 26 LEU MD1 . . 3.520 2.452 2.356 2.629 . 0 0 "[ . 1 . 2]" 1
558 1 26 LEU HB3 1 26 LEU MD2 . . 3.350 2.224 2.060 2.341 . 0 0 "[ . 1 . 2]" 1
559 1 26 LEU HB3 1 27 GLN H . . 3.800 2.955 2.398 3.746 . 0 0 "[ . 1 . 2]" 1
560 1 26 LEU HB3 1 30 ASP QB . . 4.300 3.537 2.927 4.295 . 0 0 "[ . 1 . 2]" 1
561 1 26 LEU MD1 1 54 PHE HB2 . . 3.810 2.208 1.959 2.562 . 0 0 "[ . 1 . 2]" 1
562 1 26 LEU MD1 1 54 PHE HB3 . . 4.140 2.506 2.215 2.870 . 0 0 "[ . 1 . 2]" 1
563 1 26 LEU MD1 1 54 PHE QD . . 4.050 2.719 2.330 3.066 . 0 0 "[ . 1 . 2]" 1
564 1 26 LEU MD1 1 54 PHE QE . . 5.060 3.558 3.231 4.036 . 0 0 "[ . 1 . 2]" 1
565 1 26 LEU MD1 1 55 PRO HD2 . . 4.740 3.530 3.092 4.048 . 0 0 "[ . 1 . 2]" 1
566 1 26 LEU MD1 1 58 TYR HB2 . . 4.550 3.756 3.445 4.082 . 0 0 "[ . 1 . 2]" 1
567 1 26 LEU MD1 1 58 TYR HB3 . . 4.340 3.286 2.847 3.644 . 0 0 "[ . 1 . 2]" 1
568 1 26 LEU MD1 1 58 TYR QD . . 5.260 4.179 3.601 4.670 . 0 0 "[ . 1 . 2]" 1
569 1 26 LEU MD1 1 59 ILE MG . . 3.540 2.063 1.856 2.442 . 0 0 "[ . 1 . 2]" 1
570 1 26 LEU MD2 1 27 GLN H . . 4.140 3.539 3.038 3.984 . 0 0 "[ . 1 . 2]" 1
571 1 26 LEU MD2 1 30 ASP HB2 . . 4.110 3.717 3.122 4.113 0.003 11 0 "[ . 1 . 2]" 1
572 1 26 LEU MD2 1 30 ASP HB3 . . 4.110 3.782 3.134 4.111 0.001 17 0 "[ . 1 . 2]" 1
573 1 26 LEU MD2 1 32 VAL HB . . 4.340 3.764 3.444 4.037 . 0 0 "[ . 1 . 2]" 1
574 1 26 LEU MD2 1 47 HIS HB2 . . 4.100 3.208 2.941 3.473 . 0 0 "[ . 1 . 2]" 1
575 1 26 LEU MD2 1 47 HIS HB3 . . 4.280 3.529 3.073 4.069 . 0 0 "[ . 1 . 2]" 1
576 1 26 LEU MD2 1 47 HIS HD2 . . 4.470 3.995 2.496 4.472 0.002 10 0 "[ . 1 . 2]" 1
577 1 26 LEU MD2 1 54 PHE QD . . 4.380 3.600 3.108 4.178 . 0 0 "[ . 1 . 2]" 1
578 1 27 GLN H 1 27 GLN HB2 . . 3.740 2.789 2.286 3.744 0.004 18 0 "[ . 1 . 2]" 1
579 1 27 GLN H 1 27 GLN QB . . 3.180 2.401 2.189 2.820 . 0 0 "[ . 1 . 2]" 1
580 1 27 GLN H 1 27 GLN HB3 . . 3.740 3.017 2.255 3.697 . 0 0 "[ . 1 . 2]" 1
581 1 27 GLN H 1 27 GLN HG2 . . 4.610 4.258 2.084 4.585 . 0 0 "[ . 1 . 2]" 1
582 1 27 GLN H 1 27 GLN QG . . 3.890 3.603 2.066 3.912 0.022 6 0 "[ . 1 . 2]" 1
583 1 27 GLN H 1 27 GLN HG3 . . 4.610 4.042 3.392 4.526 . 0 0 "[ . 1 . 2]" 1
584 1 27 GLN H 1 30 ASP HB2 . . 4.600 2.706 2.237 3.750 . 0 0 "[ . 1 . 2]" 1
585 1 27 GLN H 1 30 ASP QB . . 3.740 2.535 2.215 2.985 . 0 0 "[ . 1 . 2]" 1
586 1 27 GLN H 1 30 ASP HB3 . . 4.600 3.428 2.386 3.803 . 0 0 "[ . 1 . 2]" 1
587 1 27 GLN HA 1 27 GLN HG2 . . 4.150 3.042 2.203 3.898 . 0 0 "[ . 1 . 2]" 1
588 1 27 GLN HA 1 27 GLN QG . . 3.620 2.511 2.181 3.337 . 0 0 "[ . 1 . 2]" 1
589 1 27 GLN HA 1 27 GLN HG3 . . 4.150 2.840 2.485 3.800 . 0 0 "[ . 1 . 2]" 1
590 1 27 GLN HA 1 28 LYS H . . 2.820 2.244 2.192 2.356 . 0 0 "[ . 1 . 2]" 1
591 1 27 GLN QB 1 28 LYS H . . 3.560 3.176 2.578 3.566 0.006 4 0 "[ . 1 . 2]" 1
592 1 27 GLN QG 1 28 LYS H . . 4.060 2.943 2.122 4.014 . 0 0 "[ . 1 . 2]" 1
593 1 27 GLN HG2 1 28 LYS H . . 4.640 3.587 2.424 4.642 0.002 18 0 "[ . 1 . 2]" 1
594 1 27 GLN HG3 1 28 LYS H . . 4.640 3.537 2.148 4.642 0.002 9 0 "[ . 1 . 2]" 1
595 1 28 LYS H 1 28 LYS HB2 . . 3.100 2.426 2.243 2.690 . 0 0 "[ . 1 . 2]" 1
596 1 28 LYS H 1 28 LYS HB3 . . 3.100 2.636 2.362 2.844 . 0 0 "[ . 1 . 2]" 1
597 1 28 LYS H 1 28 LYS HG2 . . 4.760 4.500 4.335 4.592 . 0 0 "[ . 1 . 2]" 1
598 1 28 LYS H 1 28 LYS QG . . 4.100 3.947 3.851 3.978 . 0 0 "[ . 1 . 2]" 1
599 1 28 LYS H 1 28 LYS HG3 . . 4.760 4.375 4.226 4.535 . 0 0 "[ . 1 . 2]" 1
600 1 28 LYS HA 1 28 LYS HG2 . . 3.860 3.102 2.522 3.450 . 0 0 "[ . 1 . 2]" 1
601 1 28 LYS HA 1 28 LYS QG . . 3.200 2.418 2.281 2.608 . 0 0 "[ . 1 . 2]" 1
602 1 28 LYS HA 1 28 LYS HG3 . . 3.860 2.545 2.337 2.791 . 0 0 "[ . 1 . 2]" 1
603 1 28 LYS HA 1 29 GLY H . . 2.590 2.167 2.144 2.229 . 0 0 "[ . 1 . 2]" 1
604 1 28 LYS HA 1 29 GLY QA . . 4.840 3.898 3.888 3.943 . 0 0 "[ . 1 . 2]" 1
605 1 28 LYS HA 1 30 ASP H . . 4.160 3.956 3.668 4.156 . 0 0 "[ . 1 . 2]" 1
606 1 28 LYS QB 1 28 LYS QD . . 3.290 2.152 2.016 2.271 . 0 0 "[ . 1 . 2]" 1
607 1 28 LYS HB2 1 29 GLY H . . 4.610 4.437 4.175 4.575 . 0 0 "[ . 1 . 2]" 1
608 1 28 LYS HB3 1 29 GLY H . . 4.610 4.338 4.125 4.540 . 0 0 "[ . 1 . 2]" 1
609 1 28 LYS QE 1 28 LYS QG . . 3.320 2.222 2.078 2.533 . 0 0 "[ . 1 . 2]" 1
610 1 28 LYS QG 1 29 GLY H . . 3.630 3.204 2.652 3.549 . 0 0 "[ . 1 . 2]" 1
611 1 28 LYS QG 1 29 GLY QA . . 4.550 3.477 3.148 3.720 . 0 0 "[ . 1 . 2]" 1
612 1 28 LYS HG2 1 29 GLY H . . 4.250 3.620 3.019 4.009 . 0 0 "[ . 1 . 2]" 1
613 1 28 LYS HG3 1 29 GLY H . . 4.250 3.652 2.939 4.228 . 0 0 "[ . 1 . 2]" 1
614 1 29 GLY H 1 30 ASP H . . 3.380 2.343 2.157 2.746 . 0 0 "[ . 1 . 2]" 1
615 1 30 ASP H 1 30 ASP HB2 . . 3.760 2.514 2.264 3.749 . 0 0 "[ . 1 . 2]" 1
616 1 30 ASP H 1 30 ASP QB . . 3.080 2.377 2.239 2.729 . 0 0 "[ . 1 . 2]" 1
617 1 30 ASP H 1 30 ASP HB3 . . 3.760 3.511 2.655 3.668 . 0 0 "[ . 1 . 2]" 1
618 1 30 ASP HA 1 31 ILE H . . 2.720 2.179 2.142 2.292 . 0 0 "[ . 1 . 2]" 1
619 1 30 ASP HA 1 31 ILE HB . . 4.850 4.671 4.617 4.758 . 0 0 "[ . 1 . 2]" 1
620 1 30 ASP HA 1 31 ILE HG12 . . 4.540 3.620 3.412 3.800 . 0 0 "[ . 1 . 2]" 1
621 1 30 ASP QB 1 31 ILE H . . 3.470 3.116 2.709 3.309 . 0 0 "[ . 1 . 2]" 1
622 1 30 ASP QB 1 32 VAL MG1 . . 3.840 3.016 2.781 3.641 . 0 0 "[ . 1 . 2]" 1
623 1 30 ASP QB 1 47 HIS HD2 . . 4.320 3.261 2.650 3.709 . 0 0 "[ . 1 . 2]" 1
624 1 30 ASP QB 1 47 HIS HE1 . . 4.460 4.119 3.502 4.460 0.000 12 0 "[ . 1 . 2]" 1
625 1 30 ASP HB2 1 32 VAL MG1 . . 4.720 3.821 3.528 4.240 . 0 0 "[ . 1 . 2]" 1
626 1 30 ASP HB3 1 32 VAL MG1 . . 4.720 3.235 2.863 4.659 . 0 0 "[ . 1 . 2]" 1
627 1 31 ILE H 1 31 ILE HB . . 3.070 2.552 2.497 2.632 . 0 0 "[ . 1 . 2]" 1
628 1 31 ILE H 1 31 ILE MD . . 4.310 3.535 3.381 3.923 . 0 0 "[ . 1 . 2]" 1
629 1 31 ILE H 1 31 ILE HG12 . . 3.590 2.390 2.197 2.643 . 0 0 "[ . 1 . 2]" 1
630 1 31 ILE H 1 31 ILE HG13 . . 3.860 3.754 3.642 3.860 0.000 20 0 "[ . 1 . 2]" 1
631 1 31 ILE H 1 31 ILE MG . . 4.190 3.802 3.777 3.851 . 0 0 "[ . 1 . 2]" 1
632 1 31 ILE H 1 47 HIS HD2 . . 5.080 4.508 3.873 4.947 . 0 0 "[ . 1 . 2]" 1
633 1 31 ILE HA 1 31 ILE MD . . 3.260 2.126 1.983 2.294 . 0 0 "[ . 1 . 2]" 1
634 1 31 ILE HA 1 31 ILE HG12 . . 3.880 3.022 2.865 3.102 . 0 0 "[ . 1 . 2]" 1
635 1 31 ILE HA 1 31 ILE HG13 . . 4.180 3.755 3.714 3.807 . 0 0 "[ . 1 . 2]" 1
636 1 31 ILE HA 1 31 ILE MG . . 3.290 2.335 2.248 2.411 . 0 0 "[ . 1 . 2]" 1
637 1 31 ILE HA 1 32 VAL H . . 2.780 2.155 2.139 2.261 . 0 0 "[ . 1 . 2]" 1
638 1 31 ILE HA 1 32 VAL MG1 . . 4.510 3.790 3.410 4.077 . 0 0 "[ . 1 . 2]" 1
639 1 31 ILE HA 1 32 VAL MG2 . . 4.540 3.804 3.557 4.006 . 0 0 "[ . 1 . 2]" 1
640 1 31 ILE HB 1 32 VAL H . . 4.640 4.216 3.800 4.422 . 0 0 "[ . 1 . 2]" 1
641 1 31 ILE MD 1 32 VAL H . . 4.350 3.686 3.491 3.874 . 0 0 "[ . 1 . 2]" 1
642 1 31 ILE HG12 1 31 ILE MG . . 3.670 3.190 3.172 3.202 . 0 0 "[ . 1 . 2]" 1
643 1 31 ILE HG13 1 31 ILE MG . . 3.400 2.397 2.248 2.501 . 0 0 "[ . 1 . 2]" 1
644 1 31 ILE MG 1 32 VAL H . . 3.450 2.640 2.130 3.192 . 0 0 "[ . 1 . 2]" 1
645 1 31 ILE MG 1 33 TYR QD . . 4.810 4.224 3.849 4.416 . 0 0 "[ . 1 . 2]" 1
646 1 31 ILE MG 1 33 TYR QE . . 3.980 3.831 3.342 3.982 0.002 20 0 "[ . 1 . 2]" 1
647 1 32 VAL H 1 32 VAL HB . . 4.170 3.818 3.709 3.904 . 0 0 "[ . 1 . 2]" 1
648 1 32 VAL H 1 32 VAL MG2 . . 3.200 2.151 1.951 2.394 . 0 0 "[ . 1 . 2]" 1
649 1 32 VAL HA 1 32 VAL MG1 . . 3.270 2.324 2.218 2.471 . 0 0 "[ . 1 . 2]" 1
650 1 32 VAL HA 1 33 TYR H . . 3.440 2.406 2.326 2.493 . 0 0 "[ . 1 . 2]" 1
651 1 32 VAL HA 1 47 HIS HB2 . . 4.510 4.207 3.581 4.513 0.003 13 0 "[ . 1 . 2]" 1
652 1 32 VAL HB 1 33 TYR H . . 3.430 2.395 2.280 2.570 . 0 0 "[ . 1 . 2]" 1
653 1 32 VAL HB 1 46 GLU H . . 4.910 3.477 3.219 3.833 . 0 0 "[ . 1 . 2]" 1
654 1 32 VAL HB 1 47 HIS HA . . 4.860 4.817 4.695 4.862 0.002 8 0 "[ . 1 . 2]" 1
655 1 32 VAL HB 1 47 HIS HB2 . . 4.520 3.549 2.992 3.784 . 0 0 "[ . 1 . 2]" 1
656 1 32 VAL HB 1 54 PHE HZ . . 4.780 3.660 3.379 4.010 . 0 0 "[ . 1 . 2]" 1
657 1 32 VAL MG1 1 33 TYR H . . 4.210 3.710 3.576 3.829 . 0 0 "[ . 1 . 2]" 1
658 1 32 VAL MG1 1 46 GLU H . . 5.400 4.527 4.245 4.901 . 0 0 "[ . 1 . 2]" 1
659 1 32 VAL MG1 1 47 HIS H . . 5.060 4.886 4.597 5.063 0.003 9 0 "[ . 1 . 2]" 1
660 1 32 VAL MG1 1 47 HIS HA . . 4.210 3.555 3.048 4.089 . 0 0 "[ . 1 . 2]" 1
661 1 32 VAL MG1 1 47 HIS HB2 . . 3.560 2.120 1.824 2.405 . 0 0 "[ . 1 . 2]" 1
662 1 32 VAL MG1 1 47 HIS HB3 . . 4.150 3.505 3.061 3.788 . 0 0 "[ . 1 . 2]" 1
663 1 32 VAL MG1 1 47 HIS HD2 . . 4.080 2.256 1.817 2.701 . 0 0 "[ . 1 . 2]" 1
664 1 32 VAL MG2 1 33 TYR H . . 3.820 3.355 2.874 3.584 . 0 0 "[ . 1 . 2]" 1
665 1 32 VAL MG2 1 34 ILE QG . . 3.870 2.776 2.566 2.986 . 0 0 "[ . 1 . 2]" 1
666 1 32 VAL MG2 1 45 GLY HA3 . . 4.490 3.970 3.404 4.446 . 0 0 "[ . 1 . 2]" 1
667 1 32 VAL MG2 1 46 GLU H . . 5.000 4.558 4.056 4.976 . 0 0 "[ . 1 . 2]" 1
668 1 32 VAL MG2 1 54 PHE QD . . 4.550 4.270 4.076 4.511 . 0 0 "[ . 1 . 2]" 1
669 1 32 VAL MG2 1 54 PHE QE . . 3.640 2.989 2.765 3.181 . 0 0 "[ . 1 . 2]" 1
670 1 32 VAL MG2 1 54 PHE HZ . . 3.770 2.490 2.190 2.783 . 0 0 "[ . 1 . 2]" 1
671 1 32 VAL MG2 1 59 ILE HB . . 5.150 3.830 3.514 4.120 . 0 0 "[ . 1 . 2]" 1
672 1 32 VAL MG2 1 59 ILE MD . . 4.210 4.033 3.850 4.211 0.001 9 0 "[ . 1 . 2]" 1
673 1 32 VAL MG2 1 59 ILE MG . . 3.260 3.013 2.764 3.197 . 0 0 "[ . 1 . 2]" 1
674 1 33 TYR H 1 33 TYR HB2 . . 3.370 2.426 2.359 2.485 . 0 0 "[ . 1 . 2]" 1
675 1 33 TYR H 1 33 TYR HB3 . . 3.850 3.599 3.565 3.639 . 0 0 "[ . 1 . 2]" 1
676 1 33 TYR H 1 33 TYR QD . . 3.770 3.522 3.392 3.771 0.001 20 0 "[ . 1 . 2]" 1
677 1 33 TYR H 1 33 TYR QE . . 5.500 5.489 5.447 5.503 0.003 20 0 "[ . 1 . 2]" 1
678 1 33 TYR H 1 35 TYR QE . . 5.500 5.238 4.769 5.500 0.000 11 0 "[ . 1 . 2]" 1
679 1 33 TYR H 1 46 GLU H . . 3.500 2.761 2.560 2.950 . 0 0 "[ . 1 . 2]" 1
680 1 33 TYR H 1 46 GLU HB3 . . 4.620 4.175 3.968 4.460 . 0 0 "[ . 1 . 2]" 1
681 1 33 TYR H 1 54 PHE QE . . 5.500 5.427 5.253 5.501 0.001 8 0 "[ . 1 . 2]" 1
682 1 33 TYR HB2 1 34 ILE H . . 4.840 4.512 4.446 4.542 . 0 0 "[ . 1 . 2]" 1
683 1 33 TYR HB2 1 35 TYR QE . . 4.800 3.824 2.885 4.355 . 0 0 "[ . 1 . 2]" 1
684 1 33 TYR HB2 1 46 GLU H . . 4.290 3.626 3.453 3.811 . 0 0 "[ . 1 . 2]" 1
685 1 33 TYR HB2 1 46 GLU HB3 . . 4.090 3.815 3.543 4.004 . 0 0 "[ . 1 . 2]" 1
686 1 33 TYR HB3 1 34 ILE H . . 4.110 3.680 3.514 3.766 . 0 0 "[ . 1 . 2]" 1
687 1 33 TYR HB3 1 35 TYR QE . . 4.510 3.293 2.390 4.057 . 0 0 "[ . 1 . 2]" 1
688 1 33 TYR HB3 1 46 GLU H . . 4.790 4.515 4.343 4.673 . 0 0 "[ . 1 . 2]" 1
689 1 33 TYR HB3 1 46 GLU HB3 . . 5.040 5.006 4.815 5.042 0.002 13 0 "[ . 1 . 2]" 1
690 1 34 ILE H 1 34 ILE HB . . 3.100 2.484 2.321 2.551 . 0 0 "[ . 1 . 2]" 1
691 1 34 ILE H 1 34 ILE MD . . 4.200 3.380 3.201 3.584 . 0 0 "[ . 1 . 2]" 1
692 1 34 ILE H 1 34 ILE HG12 . . 4.000 3.772 3.599 4.006 0.006 20 0 "[ . 1 . 2]" 1
693 1 34 ILE H 1 34 ILE QG . . 3.240 2.343 2.177 2.642 . 0 0 "[ . 1 . 2]" 1
694 1 34 ILE H 1 34 ILE HG13 . . 4.000 2.366 2.195 2.680 . 0 0 "[ . 1 . 2]" 1
695 1 34 ILE H 1 34 ILE MG . . 4.270 3.769 3.697 3.795 . 0 0 "[ . 1 . 2]" 1
696 1 34 ILE HA 1 34 ILE MD . . 4.090 3.873 3.798 3.907 . 0 0 "[ . 1 . 2]" 1
697 1 34 ILE HA 1 34 ILE HG12 . . 3.810 2.719 2.568 2.852 . 0 0 "[ . 1 . 2]" 1
698 1 34 ILE HA 1 34 ILE QG . . 3.310 2.440 2.315 2.495 . 0 0 "[ . 1 . 2]" 1
699 1 34 ILE HA 1 34 ILE HG13 . . 3.810 2.770 2.543 2.894 . 0 0 "[ . 1 . 2]" 1
700 1 34 ILE HA 1 34 ILE MG . . 3.290 2.391 2.278 2.491 . 0 0 "[ . 1 . 2]" 1
701 1 34 ILE HA 1 35 TYR H . . 2.910 2.145 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
702 1 34 ILE HA 1 36 LYS H . . 3.970 3.894 3.752 3.972 0.002 20 0 "[ . 1 . 2]" 1
703 1 34 ILE HA 1 44 GLU H . . 4.830 3.868 3.677 4.057 . 0 0 "[ . 1 . 2]" 1
704 1 34 ILE HA 1 45 GLY HA3 . . 3.450 2.544 2.401 2.660 . 0 0 "[ . 1 . 2]" 1
705 1 34 ILE HA 1 46 GLU H . . 5.250 4.376 4.197 4.535 . 0 0 "[ . 1 . 2]" 1
706 1 34 ILE HA 1 54 PHE QE . . 4.710 4.435 4.285 4.632 . 0 0 "[ . 1 . 2]" 1
707 1 34 ILE HA 1 54 PHE HZ . . 4.010 3.531 3.272 3.695 . 0 0 "[ . 1 . 2]" 1
708 1 34 ILE HB 1 34 ILE MD . . 3.320 2.244 2.119 2.393 . 0 0 "[ . 1 . 2]" 1
709 1 34 ILE HB 1 35 TYR H . . 4.880 4.341 4.236 4.466 . 0 0 "[ . 1 . 2]" 1
710 1 34 ILE MD 1 34 ILE MG . . 3.000 2.273 1.988 2.486 . 0 0 "[ . 1 . 2]" 1
711 1 34 ILE MD 1 35 TYR H . . 5.460 5.376 5.324 5.428 . 0 0 "[ . 1 . 2]" 1
712 1 34 ILE MD 1 43 TYR HB2 . . 5.170 3.343 2.850 3.681 . 0 0 "[ . 1 . 2]" 1
713 1 34 ILE MD 1 43 TYR HB3 . . 4.780 2.850 2.524 3.145 . 0 0 "[ . 1 . 2]" 1
714 1 34 ILE MD 1 43 TYR QD . . 4.000 2.888 2.504 3.165 . 0 0 "[ . 1 . 2]" 1
715 1 34 ILE MD 1 43 TYR QE . . 4.230 3.458 3.185 3.833 . 0 0 "[ . 1 . 2]" 1
716 1 34 ILE MD 1 54 PHE QE . . 3.640 2.830 2.568 3.083 . 0 0 "[ . 1 . 2]" 1
717 1 34 ILE MD 1 54 PHE HZ . . 4.020 3.602 3.313 3.906 . 0 0 "[ . 1 . 2]" 1
718 1 34 ILE MD 1 59 ILE HB . . 5.130 4.366 3.985 4.732 . 0 0 "[ . 1 . 2]" 1
719 1 34 ILE MD 1 59 ILE MD . . 3.390 2.351 2.104 2.593 . 0 0 "[ . 1 . 2]" 1
720 1 34 ILE MD 1 59 ILE HG12 . . 4.590 3.222 2.843 3.439 . 0 0 "[ . 1 . 2]" 1
721 1 34 ILE MD 1 59 ILE QG . . 3.920 3.139 2.793 3.344 . 0 0 "[ . 1 . 2]" 1
722 1 34 ILE MD 1 59 ILE HG13 . . 4.590 4.343 4.099 4.568 . 0 0 "[ . 1 . 2]" 1
723 1 34 ILE MD 1 59 ILE MG . . 4.280 4.153 3.851 4.284 0.004 13 0 "[ . 1 . 2]" 1
724 1 34 ILE MD 1 61 LEU HA . . 4.940 4.015 3.767 4.370 . 0 0 "[ . 1 . 2]" 1
725 1 34 ILE MD 1 61 LEU MD1 . . 4.060 3.678 3.229 4.061 0.001 20 0 "[ . 1 . 2]" 1
726 1 34 ILE MD 1 61 LEU MD2 . . 3.090 2.192 1.870 2.585 . 0 0 "[ . 1 . 2]" 1
727 1 34 ILE MD 1 61 LEU HG . . 4.560 3.350 3.035 3.829 . 0 0 "[ . 1 . 2]" 1
728 1 34 ILE QG 1 35 TYR H . . 5.340 4.226 4.065 4.294 . 0 0 "[ . 1 . 2]" 1
729 1 34 ILE QG 1 43 TYR HB3 . . 4.400 2.312 2.102 2.560 . 0 0 "[ . 1 . 2]" 1
730 1 34 ILE QG 1 54 PHE QE . . 3.640 2.800 2.602 3.058 . 0 0 "[ . 1 . 2]" 1
731 1 34 ILE QG 1 54 PHE HZ . . 3.540 2.314 2.041 2.594 . 0 0 "[ . 1 . 2]" 1
732 1 34 ILE HG12 1 54 PHE HZ . . 4.120 2.450 2.088 2.837 . 0 0 "[ . 1 . 2]" 1
733 1 34 ILE HG13 1 54 PHE HZ . . 4.120 2.893 2.455 3.172 . 0 0 "[ . 1 . 2]" 1
734 1 34 ILE MG 1 35 TYR H . . 3.570 2.855 2.662 3.071 . 0 0 "[ . 1 . 2]" 1
735 1 34 ILE MG 1 35 TYR HA . . 4.700 4.032 3.908 4.181 . 0 0 "[ . 1 . 2]" 1
736 1 34 ILE MG 1 36 LYS H . . 3.310 2.657 2.285 2.929 . 0 0 "[ . 1 . 2]" 1
737 1 34 ILE MG 1 37 GLN QG . . 5.140 4.413 4.208 4.831 . 0 0 "[ . 1 . 2]" 1
738 1 34 ILE MG 1 43 TYR HA . . 4.800 3.425 3.173 3.970 . 0 0 "[ . 1 . 2]" 1
739 1 34 ILE MG 1 43 TYR HB2 . . 4.290 3.692 3.485 3.927 . 0 0 "[ . 1 . 2]" 1
740 1 34 ILE MG 1 43 TYR HB3 . . 3.490 2.218 1.982 2.529 . 0 0 "[ . 1 . 2]" 1
741 1 34 ILE MG 1 43 TYR QD . . 3.440 2.247 2.014 2.681 . 0 0 "[ . 1 . 2]" 1
742 1 34 ILE MG 1 43 TYR QE . . 3.880 3.363 3.070 3.857 . 0 0 "[ . 1 . 2]" 1
743 1 34 ILE MG 1 44 GLU H . . 4.280 2.121 1.872 2.655 . 0 0 "[ . 1 . 2]" 1
744 1 34 ILE MG 1 44 GLU HB2 . . 5.500 4.893 4.620 5.137 . 0 0 "[ . 1 . 2]" 1
745 1 34 ILE MG 1 44 GLU QG . . 5.500 4.488 4.301 4.773 . 0 0 "[ . 1 . 2]" 1
746 1 34 ILE MG 1 54 PHE HZ . . 4.450 4.006 3.570 4.257 . 0 0 "[ . 1 . 2]" 1
747 1 35 TYR H 1 35 TYR HB2 . . 3.650 2.530 2.438 2.601 . 0 0 "[ . 1 . 2]" 1
748 1 35 TYR H 1 35 TYR HB3 . . 4.040 3.620 3.601 3.648 . 0 0 "[ . 1 . 2]" 1
749 1 35 TYR H 1 35 TYR QD . . 4.450 3.022 2.587 3.294 . 0 0 "[ . 1 . 2]" 1
750 1 35 TYR H 1 35 TYR QE . . 5.160 4.487 4.199 4.690 . 0 0 "[ . 1 . 2]" 1
751 1 35 TYR H 1 36 LYS H . . 2.950 2.458 2.336 2.557 . 0 0 "[ . 1 . 2]" 1
752 1 35 TYR H 1 36 LYS QG . . 5.340 4.335 3.959 4.536 . 0 0 "[ . 1 . 2]" 1
753 1 35 TYR H 1 44 GLU H . . 4.870 4.281 4.128 4.446 . 0 0 "[ . 1 . 2]" 1
754 1 35 TYR H 1 44 GLU QG . . 4.820 3.743 3.495 3.940 . 0 0 "[ . 1 . 2]" 1
755 1 35 TYR H 1 45 GLY HA2 . . 3.350 2.348 2.053 2.589 . 0 0 "[ . 1 . 2]" 1
756 1 35 TYR H 1 45 GLY HA3 . . 3.700 3.414 3.087 3.646 . 0 0 "[ . 1 . 2]" 1
757 1 35 TYR H 1 46 GLU H . . 5.270 4.799 4.545 4.953 . 0 0 "[ . 1 . 2]" 1
758 1 35 TYR H 1 54 PHE HZ . . 5.500 5.357 5.025 5.503 0.003 4 0 "[ . 1 . 2]" 1
759 1 35 TYR HA 1 35 TYR QD . . 3.180 2.332 1.997 2.709 . 0 0 "[ . 1 . 2]" 1
760 1 35 TYR HB2 1 36 LYS H . . 3.440 2.531 2.412 2.697 . 0 0 "[ . 1 . 2]" 1
761 1 35 TYR HB2 1 36 LYS QG . . 4.730 3.211 2.646 3.609 . 0 0 "[ . 1 . 2]" 1
762 1 35 TYR HB2 1 44 GLU QG . . 4.200 3.184 2.758 3.526 . 0 0 "[ . 1 . 2]" 1
763 1 35 TYR HB2 1 45 GLY HA2 . . 4.440 3.692 3.210 3.996 . 0 0 "[ . 1 . 2]" 1
764 1 35 TYR HB3 1 36 LYS H . . 3.830 3.667 3.482 3.801 . 0 0 "[ . 1 . 2]" 1
765 1 35 TYR HB3 1 36 LYS QG . . 4.650 4.277 3.608 4.626 . 0 0 "[ . 1 . 2]" 1
766 1 35 TYR HB3 1 44 GLU QG . . 5.250 4.760 4.270 5.054 . 0 0 "[ . 1 . 2]" 1
767 1 35 TYR HB3 1 45 GLY HA2 . . 5.500 5.010 4.599 5.251 . 0 0 "[ . 1 . 2]" 1
768 1 35 TYR QD 1 36 LYS H . . 4.780 4.117 3.759 4.361 . 0 0 "[ . 1 . 2]" 1
769 1 35 TYR QD 1 44 GLU QG . . 4.130 3.069 2.679 3.598 . 0 0 "[ . 1 . 2]" 1
770 1 35 TYR QD 1 45 GLY HA2 . . 4.430 2.642 2.042 3.470 . 0 0 "[ . 1 . 2]" 1
771 1 35 TYR QD 1 45 GLY HA3 . . 4.740 4.277 3.772 4.740 . 0 0 "[ . 1 . 2]" 1
772 1 35 TYR QD 1 46 GLU H . . 5.100 4.518 3.982 5.007 . 0 0 "[ . 1 . 2]" 1
773 1 35 TYR QD 1 51 VAL MG1 . . 4.140 3.344 2.887 3.734 . 0 0 "[ . 1 . 2]" 1
774 1 35 TYR QD 1 51 VAL MG2 . . 4.770 4.124 3.656 4.619 . 0 0 "[ . 1 . 2]" 1
775 1 35 TYR QE 1 45 GLY HA2 . . 4.050 3.337 2.669 3.990 . 0 0 "[ . 1 . 2]" 1
776 1 35 TYR QE 1 46 GLU HB2 . . 3.770 2.121 1.997 2.569 . 0 0 "[ . 1 . 2]" 1
777 1 35 TYR QE 1 46 GLU HB3 . . 4.620 2.997 2.349 3.663 . 0 0 "[ . 1 . 2]" 1
778 1 35 TYR QE 1 51 VAL MG1 . . 3.950 3.289 2.653 3.683 . 0 0 "[ . 1 . 2]" 1
779 1 35 TYR QE 1 51 VAL MG2 . . 3.350 2.835 2.151 3.346 . 0 0 "[ . 1 . 2]" 1
780 1 36 LYS H 1 36 LYS HG2 . . 4.300 2.704 2.170 3.913 . 0 0 "[ . 1 . 2]" 1
781 1 36 LYS H 1 36 LYS QG . . 3.640 2.457 2.141 2.683 . 0 0 "[ . 1 . 2]" 1
782 1 36 LYS H 1 36 LYS HG3 . . 4.300 3.151 2.434 3.535 . 0 0 "[ . 1 . 2]" 1
783 1 36 LYS H 1 43 TYR HB3 . . 5.480 5.384 5.113 5.476 . 0 0 "[ . 1 . 2]" 1
784 1 36 LYS H 1 43 TYR QD . . 5.310 5.051 4.757 5.281 . 0 0 "[ . 1 . 2]" 1
785 1 36 LYS H 1 44 GLU H . . 3.800 3.610 3.435 3.776 . 0 0 "[ . 1 . 2]" 1
786 1 36 LYS H 1 44 GLU HB3 . . 4.610 2.934 2.557 3.247 . 0 0 "[ . 1 . 2]" 1
787 1 36 LYS H 1 44 GLU QG . . 3.530 3.380 3.197 3.516 . 0 0 "[ . 1 . 2]" 1
788 1 36 LYS QB 1 36 LYS QE . . 4.330 2.937 2.033 3.672 . 0 0 "[ . 1 . 2]" 1
789 1 36 LYS HB2 1 36 LYS QD . . 3.620 2.405 2.065 2.882 . 0 0 "[ . 1 . 2]" 1
790 1 36 LYS HB3 1 36 LYS QD . . 3.620 2.587 2.091 3.407 . 0 0 "[ . 1 . 2]" 1
791 1 36 LYS QD 1 38 ILE MD . . 3.980 3.213 1.949 3.948 . 0 0 "[ . 1 . 2]" 1
792 1 36 LYS QE 1 38 ILE MD . . 3.920 2.646 1.825 3.864 . 0 0 "[ . 1 . 2]" 1
793 1 36 LYS QE 1 44 GLU QG . . 5.030 3.708 2.066 4.868 . 0 0 "[ . 1 . 2]" 1
794 1 36 LYS QG 1 44 GLU HB2 . . 4.150 3.198 2.867 3.576 . 0 0 "[ . 1 . 2]" 1
795 1 36 LYS QG 1 44 GLU HB3 . . 4.630 2.042 1.850 2.359 . 0 0 "[ . 1 . 2]" 1
796 1 36 LYS QG 1 44 GLU QG . . 4.250 2.637 2.188 3.112 . 0 0 "[ . 1 . 2]" 1
797 1 36 LYS HG2 1 44 GLU HB2 . . 4.800 3.908 3.414 4.716 . 0 0 "[ . 1 . 2]" 1
798 1 36 LYS HG3 1 44 GLU HB2 . . 4.800 3.427 3.006 3.795 . 0 0 "[ . 1 . 2]" 1
799 1 37 GLN HA 1 37 GLN QG . . 3.290 2.498 2.415 2.608 . 0 0 "[ . 1 . 2]" 1
800 1 37 GLN HA 1 38 ILE H . . 2.960 2.148 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
801 1 37 GLN HA 1 39 ASP H . . 4.450 4.306 4.112 4.439 . 0 0 "[ . 1 . 2]" 1
802 1 37 GLN HA 1 43 TYR HA . . 3.140 2.343 2.130 2.617 . 0 0 "[ . 1 . 2]" 1
803 1 37 GLN HA 1 43 TYR QD . . 3.430 2.073 2.000 2.218 . 0 0 "[ . 1 . 2]" 1
804 1 37 GLN HA 1 44 GLU H . . 4.360 3.383 3.144 3.617 . 0 0 "[ . 1 . 2]" 1
805 1 37 GLN QB 1 43 TYR QD . . 3.930 2.809 2.469 3.066 . 0 0 "[ . 1 . 2]" 1
806 1 37 GLN QB 1 43 TYR QE . . 3.620 2.286 2.039 2.502 . 0 0 "[ . 1 . 2]" 1
807 1 37 GLN HB2 1 43 TYR QD . . 4.750 2.850 2.492 3.128 . 0 0 "[ . 1 . 2]" 1
808 1 37 GLN HB2 1 43 TYR QE . . 4.430 2.303 2.048 2.526 . 0 0 "[ . 1 . 2]" 1
809 1 37 GLN HB3 1 43 TYR QD . . 4.750 4.255 4.015 4.421 . 0 0 "[ . 1 . 2]" 1
810 1 37 GLN HB3 1 43 TYR QE . . 4.430 3.899 3.696 4.058 . 0 0 "[ . 1 . 2]" 1
811 1 37 GLN QE 1 40 GLN HA . . 3.750 2.483 1.919 3.374 . 0 0 "[ . 1 . 2]" 1
812 1 37 GLN HE21 1 40 GLN HA . . 4.430 2.738 2.014 4.005 . 0 0 "[ . 1 . 2]" 1
813 1 37 GLN HE22 1 40 GLN HA . . 4.430 2.976 2.287 3.945 . 0 0 "[ . 1 . 2]" 1
814 1 37 GLN QG 1 38 ILE H . . 3.840 3.081 2.537 3.332 . 0 0 "[ . 1 . 2]" 1
815 1 37 GLN QG 1 39 ASP H . . 3.620 3.019 2.605 3.229 . 0 0 "[ . 1 . 2]" 1
816 1 37 GLN QG 1 43 TYR HA . . 4.330 3.299 2.933 3.554 . 0 0 "[ . 1 . 2]" 1
817 1 37 GLN QG 1 43 TYR QD . . 4.630 2.813 2.639 3.371 . 0 0 "[ . 1 . 2]" 1
818 1 37 GLN QG 1 43 TYR QE . . 4.520 2.575 2.072 3.044 . 0 0 "[ . 1 . 2]" 1
819 1 37 GLN HG2 1 38 ILE H . . 4.400 3.390 2.557 3.906 . 0 0 "[ . 1 . 2]" 1
820 1 37 GLN HG2 1 39 ASP H . . 4.200 3.174 2.631 3.401 . 0 0 "[ . 1 . 2]" 1
821 1 37 GLN HG3 1 38 ILE H . . 4.400 3.624 3.198 4.260 . 0 0 "[ . 1 . 2]" 1
822 1 37 GLN HG3 1 39 ASP H . . 4.200 3.854 3.409 4.183 . 0 0 "[ . 1 . 2]" 1
823 1 38 ILE H 1 38 ILE HB . . 3.290 2.576 2.494 2.670 . 0 0 "[ . 1 . 2]" 1
824 1 38 ILE H 1 38 ILE MD . . 4.580 3.393 2.787 3.690 . 0 0 "[ . 1 . 2]" 1
825 1 38 ILE H 1 38 ILE HG12 . . 3.910 2.048 1.903 2.249 . 0 0 "[ . 1 . 2]" 1
826 1 38 ILE H 1 38 ILE QG . . 3.300 2.033 1.892 2.223 . 0 0 "[ . 1 . 2]" 1
827 1 38 ILE H 1 38 ILE HG13 . . 3.910 3.441 3.237 3.531 . 0 0 "[ . 1 . 2]" 1
828 1 38 ILE H 1 38 ILE MG . . 3.980 3.768 3.759 3.802 . 0 0 "[ . 1 . 2]" 1
829 1 38 ILE H 1 39 ASP H . . 3.090 2.836 2.381 3.089 . 0 0 "[ . 1 . 2]" 1
830 1 38 ILE H 1 42 TRP H . . 5.280 5.013 4.685 5.233 . 0 0 "[ . 1 . 2]" 1
831 1 38 ILE H 1 42 TRP HB3 . . 4.860 4.148 3.978 4.364 . 0 0 "[ . 1 . 2]" 1
832 1 38 ILE H 1 43 TYR H . . 5.130 4.136 3.968 4.308 . 0 0 "[ . 1 . 2]" 1
833 1 38 ILE H 1 43 TYR HA . . 3.480 2.236 2.086 2.436 . 0 0 "[ . 1 . 2]" 1
834 1 38 ILE H 1 43 TYR QD . . 4.440 3.618 3.415 3.777 . 0 0 "[ . 1 . 2]" 1
835 1 38 ILE H 1 44 GLU H . . 4.400 3.807 3.495 4.013 . 0 0 "[ . 1 . 2]" 1
836 1 38 ILE H 1 44 GLU HB2 . . 4.640 4.118 3.738 4.621 . 0 0 "[ . 1 . 2]" 1
837 1 38 ILE HA 1 38 ILE MD . . 3.380 2.139 1.980 2.376 . 0 0 "[ . 1 . 2]" 1
838 1 38 ILE HA 1 38 ILE HG12 . . 4.080 2.939 2.719 3.190 . 0 0 "[ . 1 . 2]" 1
839 1 38 ILE HA 1 38 ILE QG . . 3.470 2.840 2.658 3.016 . 0 0 "[ . 1 . 2]" 1
840 1 38 ILE HA 1 38 ILE HG13 . . 4.080 3.771 3.717 3.854 . 0 0 "[ . 1 . 2]" 1
841 1 38 ILE HA 1 38 ILE MG . . 3.160 2.319 2.196 2.402 . 0 0 "[ . 1 . 2]" 1
842 1 38 ILE HB 1 38 ILE MD . . 3.690 3.212 3.188 3.227 . 0 0 "[ . 1 . 2]" 1
843 1 38 ILE HB 1 39 ASP H . . 3.460 2.166 2.011 2.473 . 0 0 "[ . 1 . 2]" 1
844 1 38 ILE HB 1 42 TRP H . . 4.550 4.433 4.273 4.544 . 0 0 "[ . 1 . 2]" 1
845 1 38 ILE HB 1 42 TRP HB2 . . 3.500 2.373 2.235 2.502 . 0 0 "[ . 1 . 2]" 1
846 1 38 ILE HB 1 42 TRP HB3 . . 3.730 2.252 2.015 2.499 . 0 0 "[ . 1 . 2]" 1
847 1 38 ILE HB 1 42 TRP HD1 . . 5.440 4.924 4.672 5.131 . 0 0 "[ . 1 . 2]" 1
848 1 38 ILE HB 1 53 ILE MD . . 4.240 4.003 3.774 4.180 . 0 0 "[ . 1 . 2]" 1
849 1 38 ILE HB 1 53 ILE MG . . 4.220 3.959 3.775 4.144 . 0 0 "[ . 1 . 2]" 1
850 1 38 ILE MD 1 42 TRP HB2 . . 5.470 5.095 5.005 5.210 . 0 0 "[ . 1 . 2]" 1
851 1 38 ILE MD 1 42 TRP HB3 . . 4.750 4.638 4.520 4.748 . 0 0 "[ . 1 . 2]" 1
852 1 38 ILE MD 1 44 GLU H . . 4.820 4.734 4.513 4.824 0.004 4 0 "[ . 1 . 2]" 1
853 1 38 ILE MD 1 44 GLU HB2 . . 3.730 2.199 1.996 2.472 . 0 0 "[ . 1 . 2]" 1
854 1 38 ILE MD 1 44 GLU HB3 . . 3.460 3.081 2.691 3.350 . 0 0 "[ . 1 . 2]" 1
855 1 38 ILE MD 1 53 ILE MD . . 3.780 3.408 3.144 3.666 . 0 0 "[ . 1 . 2]" 1
856 1 38 ILE QG 1 39 ASP H . . 4.180 3.773 3.642 3.871 . 0 0 "[ . 1 . 2]" 1
857 1 38 ILE QG 1 42 TRP HB2 . . 4.260 4.065 3.854 4.218 . 0 0 "[ . 1 . 2]" 1
858 1 38 ILE QG 1 42 TRP HB3 . . 4.250 3.212 3.069 3.455 . 0 0 "[ . 1 . 2]" 1
859 1 38 ILE QG 1 43 TYR H . . 5.150 3.629 3.535 3.830 . 0 0 "[ . 1 . 2]" 1
860 1 38 ILE QG 1 43 TYR HA . . 4.490 3.135 2.915 3.360 . 0 0 "[ . 1 . 2]" 1
861 1 38 ILE QG 1 44 GLU H . . 4.210 3.664 3.403 3.833 . 0 0 "[ . 1 . 2]" 1
862 1 38 ILE QG 1 44 GLU HA . . 5.340 3.664 3.420 3.927 . 0 0 "[ . 1 . 2]" 1
863 1 38 ILE QG 1 44 GLU HB2 . . 4.390 2.327 2.090 2.589 . 0 0 "[ . 1 . 2]" 1
864 1 38 ILE QG 1 44 GLU HB3 . . 4.090 3.074 2.760 3.344 . 0 0 "[ . 1 . 2]" 1
865 1 38 ILE QG 1 53 ILE HA . . 4.810 3.483 3.241 3.764 . 0 0 "[ . 1 . 2]" 1
866 1 38 ILE QG 1 53 ILE HB . . 3.710 2.196 1.990 2.493 . 0 0 "[ . 1 . 2]" 1
867 1 38 ILE QG 1 53 ILE MG . . 3.280 1.979 1.898 2.185 . 0 0 "[ . 1 . 2]" 1
868 1 38 ILE QG 1 54 PHE H . . 5.020 3.879 3.722 4.050 . 0 0 "[ . 1 . 2]" 1
869 1 38 ILE HG12 1 38 ILE MG . . 3.420 3.184 3.163 3.200 . 0 0 "[ . 1 . 2]" 1
870 1 38 ILE HG12 1 39 ASP H . . 4.750 4.067 3.903 4.226 . 0 0 "[ . 1 . 2]" 1
871 1 38 ILE HG12 1 42 TRP HB2 . . 4.970 4.769 4.452 4.948 . 0 0 "[ . 1 . 2]" 1
872 1 38 ILE HG12 1 42 TRP HB3 . . 4.840 4.076 3.608 4.581 . 0 0 "[ . 1 . 2]" 1
873 1 38 ILE HG12 1 44 GLU HB3 . . 4.780 3.145 2.813 3.428 . 0 0 "[ . 1 . 2]" 1
874 1 38 ILE HG12 1 53 ILE MG . . 4.160 3.002 2.786 3.302 . 0 0 "[ . 1 . 2]" 1
875 1 38 ILE HG13 1 38 ILE MG . . 3.420 2.443 2.277 2.583 . 0 0 "[ . 1 . 2]" 1
876 1 38 ILE HG13 1 39 ASP H . . 4.750 4.471 4.310 4.601 . 0 0 "[ . 1 . 2]" 1
877 1 38 ILE HG13 1 42 TRP HB2 . . 4.970 4.410 4.128 4.576 . 0 0 "[ . 1 . 2]" 1
878 1 38 ILE HG13 1 42 TRP HB3 . . 4.840 3.366 3.180 3.574 . 0 0 "[ . 1 . 2]" 1
879 1 38 ILE HG13 1 44 GLU HB3 . . 4.780 4.342 3.990 4.649 . 0 0 "[ . 1 . 2]" 1
880 1 38 ILE HG13 1 53 ILE MG . . 4.160 2.009 1.928 2.228 . 0 0 "[ . 1 . 2]" 1
881 1 38 ILE MG 1 39 ASP H . . 3.950 3.109 2.780 3.466 . 0 0 "[ . 1 . 2]" 1
882 1 38 ILE MG 1 39 ASP HB2 . . 4.270 2.958 2.585 3.906 . 0 0 "[ . 1 . 2]" 1
883 1 38 ILE MG 1 39 ASP QB . . 3.680 2.882 2.547 3.616 . 0 0 "[ . 1 . 2]" 1
884 1 38 ILE MG 1 39 ASP HB3 . . 4.270 4.092 3.842 4.271 0.001 4 0 "[ . 1 . 2]" 1
885 1 38 ILE MG 1 42 TRP HB2 . . 4.080 3.029 2.711 3.475 . 0 0 "[ . 1 . 2]" 1
886 1 38 ILE MG 1 42 TRP HB3 . . 4.200 3.213 2.936 3.686 . 0 0 "[ . 1 . 2]" 1
887 1 38 ILE MG 1 42 TRP HD1 . . 5.210 4.495 4.188 4.863 . 0 0 "[ . 1 . 2]" 1
888 1 38 ILE MG 1 43 TYR H . . 5.500 4.892 4.619 5.198 . 0 0 "[ . 1 . 2]" 1
889 1 38 ILE MG 1 44 GLU HB2 . . 4.940 4.649 4.461 4.786 . 0 0 "[ . 1 . 2]" 1
890 1 39 ASP H 1 42 TRP HB2 . . 4.500 2.110 1.906 2.550 . 0 0 "[ . 1 . 2]" 1
891 1 39 ASP H 1 42 TRP HB3 . . 4.780 3.204 3.023 3.757 . 0 0 "[ . 1 . 2]" 1
892 1 39 ASP QB 1 40 GLN H . . 4.000 2.544 1.930 3.082 . 0 0 "[ . 1 . 2]" 1
893 1 39 ASP HB2 1 40 GLN H . . 4.620 3.601 2.963 3.800 . 0 0 "[ . 1 . 2]" 1
894 1 39 ASP HB3 1 40 GLN H . . 4.620 2.620 1.940 3.262 . 0 0 "[ . 1 . 2]" 1
895 1 40 GLN HA 1 40 GLN QG . . 3.820 2.637 2.166 3.421 . 0 0 "[ . 1 . 2]" 1
896 1 40 GLN QB 1 41 ASN H . . 4.280 3.183 2.811 3.731 . 0 0 "[ . 1 . 2]" 1
897 1 40 GLN QG 1 41 ASN H . . 4.660 4.014 2.331 4.660 0.000 4 0 "[ . 1 . 2]" 1
898 1 41 ASN H 1 41 ASN QB . . 3.480 2.493 2.386 2.614 . 0 0 "[ . 1 . 2]" 1
899 1 41 ASN H 1 42 TRP H . . 3.200 2.200 2.033 2.445 . 0 0 "[ . 1 . 2]" 1
900 1 41 ASN H 1 42 TRP HD1 . . 4.400 3.087 2.590 3.345 . 0 0 "[ . 1 . 2]" 1
901 1 41 ASN QB 1 42 TRP H . . 3.730 3.665 3.579 3.731 0.001 4 0 "[ . 1 . 2]" 1
902 1 41 ASN QB 1 42 TRP HD1 . . 3.280 3.063 2.548 3.248 . 0 0 "[ . 1 . 2]" 1
903 1 41 ASN HB2 1 42 TRP H . . 4.350 4.019 3.864 4.314 . 0 0 "[ . 1 . 2]" 1
904 1 41 ASN HB2 1 42 TRP HD1 . . 4.080 3.280 2.896 3.798 . 0 0 "[ . 1 . 2]" 1
905 1 41 ASN HB2 1 42 TRP HE1 . . 4.590 4.301 3.722 4.591 0.001 20 0 "[ . 1 . 2]" 1
906 1 41 ASN HB3 1 42 TRP H . . 4.350 4.238 3.873 4.300 . 0 0 "[ . 1 . 2]" 1
907 1 41 ASN HB3 1 42 TRP HD1 . . 4.080 3.795 2.588 4.044 . 0 0 "[ . 1 . 2]" 1
908 1 41 ASN HB3 1 42 TRP HE1 . . 4.590 4.299 3.062 4.590 . 0 0 "[ . 1 . 2]" 1
909 1 42 TRP H 1 42 TRP HB2 . . 3.360 2.694 2.598 2.788 . 0 0 "[ . 1 . 2]" 1
910 1 42 TRP H 1 42 TRP HB3 . . 3.950 3.795 3.737 3.865 . 0 0 "[ . 1 . 2]" 1
911 1 42 TRP H 1 43 TYR H . . 5.050 4.429 4.381 4.459 . 0 0 "[ . 1 . 2]" 1
912 1 42 TRP H 1 56 ARG QB . . 4.670 4.128 3.840 4.564 . 0 0 "[ . 1 . 2]" 1
913 1 42 TRP HA 1 42 TRP HE3 . . 4.150 3.270 3.043 3.604 . 0 0 "[ . 1 . 2]" 1
914 1 42 TRP HA 1 43 TYR H . . 2.880 2.389 2.259 2.477 . 0 0 "[ . 1 . 2]" 1
915 1 42 TRP HA 1 55 PRO HA . . 3.220 2.141 2.000 2.358 . 0 0 "[ . 1 . 2]" 1
916 1 42 TRP HA 1 56 ARG H . . 3.550 2.797 2.479 2.927 . 0 0 "[ . 1 . 2]" 1
917 1 42 TRP HA 1 56 ARG QB . . 4.450 3.975 3.779 4.314 . 0 0 "[ . 1 . 2]" 1
918 1 42 TRP HB2 1 42 TRP HD1 . . 3.780 2.680 2.625 2.784 . 0 0 "[ . 1 . 2]" 1
919 1 42 TRP HB2 1 42 TRP HE3 . . 4.210 4.101 4.005 4.151 . 0 0 "[ . 1 . 2]" 1
920 1 42 TRP HB2 1 43 TYR H . . 4.400 3.772 3.565 3.924 . 0 0 "[ . 1 . 2]" 1
921 1 42 TRP HB2 1 53 ILE HB . . 5.210 4.998 4.753 5.197 . 0 0 "[ . 1 . 2]" 1
922 1 42 TRP HB2 1 53 ILE MD . . 4.840 4.484 4.116 4.702 . 0 0 "[ . 1 . 2]" 1
923 1 42 TRP HB3 1 43 TYR H . . 3.680 2.479 2.267 2.819 . 0 0 "[ . 1 . 2]" 1
924 1 42 TRP HB3 1 53 ILE HB . . 4.050 3.401 3.238 3.538 . 0 0 "[ . 1 . 2]" 1
925 1 42 TRP HB3 1 53 ILE MD . . 4.780 3.427 3.034 3.615 . 0 0 "[ . 1 . 2]" 1
926 1 42 TRP HB3 1 53 ILE MG . . 5.390 4.449 4.180 4.610 . 0 0 "[ . 1 . 2]" 1
927 1 42 TRP HB3 1 54 PHE H . . 4.570 3.894 3.540 4.085 . 0 0 "[ . 1 . 2]" 1
928 1 42 TRP HB3 1 56 ARG H . . 5.500 5.343 5.036 5.502 0.002 16 0 "[ . 1 . 2]" 1
929 1 42 TRP HD1 1 53 ILE MD . . 5.500 5.403 5.095 5.501 0.001 20 0 "[ . 1 . 2]" 1
930 1 42 TRP HE3 1 43 TYR H . . 4.270 3.033 2.836 3.780 . 0 0 "[ . 1 . 2]" 1
931 1 42 TRP HE3 1 53 ILE HA . . 5.160 4.516 4.228 4.919 . 0 0 "[ . 1 . 2]" 1
932 1 42 TRP HE3 1 53 ILE HB . . 3.790 2.984 2.628 3.183 . 0 0 "[ . 1 . 2]" 1
933 1 42 TRP HE3 1 53 ILE MD . . 4.270 2.735 2.192 3.148 . 0 0 "[ . 1 . 2]" 1
934 1 42 TRP HE3 1 53 ILE QG . . 4.270 3.230 2.757 3.562 . 0 0 "[ . 1 . 2]" 1
935 1 42 TRP HE3 1 53 ILE MG . . 4.700 4.503 4.234 4.635 . 0 0 "[ . 1 . 2]" 1
936 1 42 TRP HE3 1 54 PHE H . . 3.700 2.815 2.613 3.213 . 0 0 "[ . 1 . 2]" 1
937 1 42 TRP HE3 1 54 PHE HA . . 4.030 2.884 2.726 3.107 . 0 0 "[ . 1 . 2]" 1
938 1 42 TRP HE3 1 55 PRO HA . . 4.230 3.538 3.328 3.844 . 0 0 "[ . 1 . 2]" 1
939 1 42 TRP HH2 1 54 PHE HA . . 5.500 4.470 4.149 5.218 . 0 0 "[ . 1 . 2]" 1
940 1 42 TRP HH2 1 55 PRO HD3 . . 5.210 3.147 2.808 3.661 . 0 0 "[ . 1 . 2]" 1
941 1 42 TRP HH2 1 55 PRO HG3 . . 4.640 4.143 3.766 4.468 . 0 0 "[ . 1 . 2]" 1
942 1 42 TRP HZ2 1 55 PRO HG3 . . 5.320 5.025 4.794 5.275 . 0 0 "[ . 1 . 2]" 1
943 1 42 TRP HZ3 1 53 ILE MD . . 4.820 3.214 2.770 3.712 . 0 0 "[ . 1 . 2]" 1
944 1 42 TRP HZ3 1 53 ILE QG . . 4.490 2.954 2.617 3.360 . 0 0 "[ . 1 . 2]" 1
945 1 42 TRP HZ3 1 54 PHE HA . . 3.390 2.274 2.008 3.050 . 0 0 "[ . 1 . 2]" 1
946 1 42 TRP HZ3 1 55 PRO HD2 . . 4.330 3.641 3.382 4.144 . 0 0 "[ . 1 . 2]" 1
947 1 42 TRP HZ3 1 55 PRO HD3 . . 4.300 2.269 2.007 2.679 . 0 0 "[ . 1 . 2]" 1
948 1 42 TRP HZ3 1 55 PRO HG3 . . 4.670 4.391 4.107 4.656 . 0 0 "[ . 1 . 2]" 1
949 1 43 TYR H 1 43 TYR HB2 . . 3.300 2.735 2.648 2.823 . 0 0 "[ . 1 . 2]" 1
950 1 43 TYR H 1 43 TYR HB3 . . 3.900 3.774 3.715 3.823 . 0 0 "[ . 1 . 2]" 1
951 1 43 TYR H 1 43 TYR QD . . 4.480 3.993 3.713 4.133 . 0 0 "[ . 1 . 2]" 1
952 1 43 TYR H 1 53 ILE HA . . 4.880 4.262 4.103 4.437 . 0 0 "[ . 1 . 2]" 1
953 1 43 TYR H 1 53 ILE MG . . 5.270 4.740 4.522 4.966 . 0 0 "[ . 1 . 2]" 1
954 1 43 TYR H 1 54 PHE H . . 3.550 2.494 2.352 2.624 . 0 0 "[ . 1 . 2]" 1
955 1 43 TYR H 1 54 PHE QD . . 4.930 4.279 3.800 4.571 . 0 0 "[ . 1 . 2]" 1
956 1 43 TYR H 1 54 PHE QE . . 5.380 5.036 4.528 5.326 . 0 0 "[ . 1 . 2]" 1
957 1 43 TYR H 1 55 PRO HA . . 4.030 3.800 3.651 4.023 . 0 0 "[ . 1 . 2]" 1
958 1 43 TYR H 1 56 ARG H . . 4.660 4.524 3.989 4.659 . 0 0 "[ . 1 . 2]" 1
959 1 43 TYR H 1 56 ARG QB . . 5.170 4.947 4.626 5.170 . 8 0 "[ . 1 . 2]" 1
960 1 43 TYR HA 1 43 TYR QD . . 3.310 2.238 2.036 2.436 . 0 0 "[ . 1 . 2]" 1
961 1 43 TYR HA 1 43 TYR QE . . 4.950 4.271 4.182 4.372 . 0 0 "[ . 1 . 2]" 1
962 1 43 TYR HA 1 44 GLU H . . 3.030 2.541 2.377 2.616 . 0 0 "[ . 1 . 2]" 1
963 1 43 TYR HB2 1 44 GLU H . . 4.040 3.589 3.450 3.870 . 0 0 "[ . 1 . 2]" 1
964 1 43 TYR HB2 1 54 PHE H . . 4.440 3.853 3.647 4.123 . 0 0 "[ . 1 . 2]" 1
965 1 43 TYR HB2 1 54 PHE QD . . 4.500 3.277 2.938 3.662 . 0 0 "[ . 1 . 2]" 1
966 1 43 TYR HB2 1 54 PHE QE . . 4.010 2.983 2.540 3.466 . 0 0 "[ . 1 . 2]" 1
967 1 43 TYR HB2 1 54 PHE HZ . . 4.710 4.210 3.849 4.707 . 0 0 "[ . 1 . 2]" 1
968 1 43 TYR HB2 1 56 ARG HA . . 4.450 4.102 3.742 4.361 . 0 0 "[ . 1 . 2]" 1
969 1 43 TYR HB3 1 44 GLU H . . 3.430 2.153 2.007 2.524 . 0 0 "[ . 1 . 2]" 1
970 1 43 TYR HB3 1 54 PHE QD . . 5.500 4.427 4.129 4.738 . 0 0 "[ . 1 . 2]" 1
971 1 43 TYR HB3 1 54 PHE QE . . 4.230 3.356 3.011 3.777 . 0 0 "[ . 1 . 2]" 1
972 1 43 TYR HB3 1 54 PHE HZ . . 4.710 3.668 3.273 4.026 . 0 0 "[ . 1 . 2]" 1
973 1 43 TYR QD 1 44 GLU H . . 4.210 3.037 2.838 3.231 . 0 0 "[ . 1 . 2]" 1
974 1 43 TYR QD 1 56 ARG H . . 4.730 3.892 3.551 4.162 . 0 0 "[ . 1 . 2]" 1
975 1 43 TYR QD 1 56 ARG HA . . 3.310 2.478 2.209 2.671 . 0 0 "[ . 1 . 2]" 1
976 1 43 TYR QD 1 56 ARG QB . . 4.670 2.343 2.013 2.686 . 0 0 "[ . 1 . 2]" 1
977 1 43 TYR QD 1 59 ILE MD . . 3.700 3.011 2.437 3.379 . 0 0 "[ . 1 . 2]" 1
978 1 43 TYR QD 1 59 ILE HG12 . . 4.490 3.204 2.690 3.517 . 0 0 "[ . 1 . 2]" 1
979 1 43 TYR QD 1 59 ILE QG . . 3.690 2.977 2.523 3.222 . 0 0 "[ . 1 . 2]" 1
980 1 43 TYR QD 1 59 ILE HG13 . . 4.490 3.542 3.050 3.755 . 0 0 "[ . 1 . 2]" 1
981 1 43 TYR QE 1 44 GLU H . . 5.500 5.296 5.126 5.488 . 0 0 "[ . 1 . 2]" 1
982 1 43 TYR QE 1 56 ARG H . . 4.860 4.754 4.579 4.864 0.004 13 0 "[ . 1 . 2]" 1
983 1 43 TYR QE 1 56 ARG HA . . 3.580 3.448 3.064 3.549 . 0 0 "[ . 1 . 2]" 1
984 1 43 TYR QE 1 56 ARG HB2 . . 4.630 2.116 2.006 2.284 . 0 0 "[ . 1 . 2]" 1
985 1 43 TYR QE 1 56 ARG QB . . 3.780 2.037 1.844 2.251 . 0 0 "[ . 1 . 2]" 1
986 1 43 TYR QE 1 56 ARG HB3 . . 4.630 3.163 2.021 3.764 . 0 0 "[ . 1 . 2]" 1
987 1 43 TYR QE 1 56 ARG HG2 . . 4.680 3.637 2.575 4.394 . 0 0 "[ . 1 . 2]" 1
988 1 43 TYR QE 1 56 ARG QG . . 4.020 2.619 1.938 3.925 . 0 0 "[ . 1 . 2]" 1
989 1 43 TYR QE 1 56 ARG HG3 . . 4.680 2.860 2.001 4.588 . 0 0 "[ . 1 . 2]" 1
990 1 43 TYR QE 1 59 ILE MD . . 3.590 3.139 2.429 3.503 . 0 0 "[ . 1 . 2]" 1
991 1 43 TYR QE 1 59 ILE HG12 . . 4.860 4.669 4.210 4.858 . 0 0 "[ . 1 . 2]" 1
992 1 43 TYR QE 1 59 ILE HG13 . . 4.860 4.424 3.902 4.613 . 0 0 "[ . 1 . 2]" 1
993 1 43 TYR QE 1 61 LEU H . . 5.500 5.373 5.184 5.485 . 0 0 "[ . 1 . 2]" 1
994 1 43 TYR QE 1 61 LEU MD1 . . 5.020 3.286 2.644 3.563 . 0 0 "[ . 1 . 2]" 1
995 1 43 TYR QE 1 61 LEU MD2 . . 4.460 4.066 3.646 4.424 . 0 0 "[ . 1 . 2]" 1
996 1 43 TYR QE 1 61 LEU HG . . 5.010 3.797 3.385 4.109 . 0 0 "[ . 1 . 2]" 1
997 1 44 GLU H 1 44 GLU HB2 . . 3.560 3.438 3.300 3.520 . 0 0 "[ . 1 . 2]" 1
998 1 44 GLU H 1 44 GLU HB3 . . 3.750 2.764 2.580 2.885 . 0 0 "[ . 1 . 2]" 1
999 1 44 GLU H 1 44 GLU QG . . 4.410 4.012 3.875 4.102 . 0 0 "[ . 1 . 2]" 1
1000 1 44 GLU H 1 45 GLY H . . 4.730 4.167 4.017 4.317 . 0 0 "[ . 1 . 2]" 1
1001 1 44 GLU H 1 53 ILE HA . . 5.340 4.660 4.522 4.798 . 0 0 "[ . 1 . 2]" 1
1002 1 44 GLU H 1 53 ILE MG . . 5.260 4.882 4.672 5.130 . 0 0 "[ . 1 . 2]" 1
1003 1 44 GLU H 1 54 PHE QE . . 5.040 4.537 4.204 4.888 . 0 0 "[ . 1 . 2]" 1
1004 1 44 GLU H 1 54 PHE HZ . . 5.500 4.507 4.061 4.990 . 0 0 "[ . 1 . 2]" 1
1005 1 44 GLU HA 1 44 GLU QG . . 3.620 2.630 2.426 2.927 . 0 0 "[ . 1 . 2]" 1
1006 1 44 GLU HA 1 45 GLY H . . 2.850 2.151 2.142 2.190 . 0 0 "[ . 1 . 2]" 1
1007 1 44 GLU HA 1 53 ILE HA . . 3.020 2.252 2.076 2.378 . 0 0 "[ . 1 . 2]" 1
1008 1 44 GLU HA 1 53 ILE HB . . 4.990 4.073 3.796 4.215 . 0 0 "[ . 1 . 2]" 1
1009 1 44 GLU HA 1 53 ILE MG . . 3.280 3.127 2.909 3.270 . 0 0 "[ . 1 . 2]" 1
1010 1 44 GLU HA 1 54 PHE QD . . 4.680 4.058 3.787 4.395 . 0 0 "[ . 1 . 2]" 1
1011 1 44 GLU HA 1 54 PHE QE . . 5.030 3.462 3.128 3.875 . 0 0 "[ . 1 . 2]" 1
1012 1 44 GLU HB2 1 53 ILE HA . . 4.550 3.385 3.017 3.695 . 0 0 "[ . 1 . 2]" 1
1013 1 44 GLU HB2 1 53 ILE MG . . 3.390 2.242 1.983 2.513 . 0 0 "[ . 1 . 2]" 1
1014 1 44 GLU HB3 1 44 GLU QG . . 2.790 2.235 2.142 2.385 . 0 0 "[ . 1 . 2]" 1
1015 1 44 GLU HB3 1 45 GLY H . . 4.390 4.320 4.114 4.388 . 0 0 "[ . 1 . 2]" 1
1016 1 44 GLU HB3 1 51 VAL MG1 . . 5.450 5.314 5.077 5.447 . 0 0 "[ . 1 . 2]" 1
1017 1 44 GLU HB3 1 53 ILE MG . . 4.180 3.843 3.595 4.090 . 0 0 "[ . 1 . 2]" 1
1018 1 44 GLU QG 1 45 GLY H . . 3.260 2.781 2.393 2.952 . 0 0 "[ . 1 . 2]" 1
1019 1 44 GLU QG 1 45 GLY HA2 . . 4.530 3.374 3.227 3.619 . 0 0 "[ . 1 . 2]" 1
1020 1 44 GLU QG 1 45 GLY HA3 . . 4.860 4.367 4.285 4.532 . 0 0 "[ . 1 . 2]" 1
1021 1 44 GLU QG 1 51 VAL MG1 . . 3.290 2.891 2.614 3.202 . 0 0 "[ . 1 . 2]" 1
1022 1 44 GLU QG 1 52 GLY H . . 4.670 3.687 3.120 4.496 . 0 0 "[ . 1 . 2]" 1
1023 1 44 GLU QG 1 52 GLY HA2 . . 5.500 4.354 3.853 5.300 . 0 0 "[ . 1 . 2]" 1
1024 1 44 GLU QG 1 53 ILE MG . . 3.840 3.299 2.950 3.720 . 0 0 "[ . 1 . 2]" 1
1025 1 45 GLY H 1 46 GLU H . . 5.110 4.251 4.125 4.370 . 0 0 "[ . 1 . 2]" 1
1026 1 45 GLY H 1 51 VAL HA . . 4.700 4.635 4.506 4.699 . 0 0 "[ . 1 . 2]" 1
1027 1 45 GLY H 1 51 VAL MG1 . . 4.010 3.799 3.632 4.005 . 0 0 "[ . 1 . 2]" 1
1028 1 45 GLY H 1 52 GLY H . . 3.320 3.230 3.100 3.324 0.004 11 0 "[ . 1 . 2]" 1
1029 1 45 GLY H 1 53 ILE HA . . 3.870 3.626 3.383 3.763 . 0 0 "[ . 1 . 2]" 1
1030 1 45 GLY H 1 53 ILE MG . . 5.500 4.563 4.343 4.760 . 0 0 "[ . 1 . 2]" 1
1031 1 45 GLY H 1 54 PHE QD . . 4.330 3.879 3.643 4.144 . 0 0 "[ . 1 . 2]" 1
1032 1 45 GLY H 1 54 PHE QE . . 3.420 2.301 1.983 2.655 . 0 0 "[ . 1 . 2]" 1
1033 1 45 GLY HA2 1 46 GLU H . . 3.380 2.842 2.650 2.985 . 0 0 "[ . 1 . 2]" 1
1034 1 45 GLY HA2 1 52 GLY H . . 5.140 4.997 4.853 5.139 . 0 0 "[ . 1 . 2]" 1
1035 1 45 GLY HA2 1 54 PHE QE . . 5.450 4.260 4.034 4.492 . 0 0 "[ . 1 . 2]" 1
1036 1 45 GLY HA2 1 54 PHE HZ . . 4.850 4.562 4.169 4.785 . 0 0 "[ . 1 . 2]" 1
1037 1 45 GLY HA3 1 46 GLU H . . 3.220 2.323 2.225 2.481 . 0 0 "[ . 1 . 2]" 1
1038 1 45 GLY HA3 1 54 PHE QE . . 3.590 3.013 2.751 3.220 . 0 0 "[ . 1 . 2]" 1
1039 1 45 GLY HA3 1 54 PHE HZ . . 3.890 3.014 2.609 3.306 . 0 0 "[ . 1 . 2]" 1
1040 1 46 GLU H 1 46 GLU HB2 . . 3.910 3.242 3.044 3.472 . 0 0 "[ . 1 . 2]" 1
1041 1 46 GLU H 1 46 GLU HB3 . . 3.570 2.653 2.440 2.799 . 0 0 "[ . 1 . 2]" 1
1042 1 46 GLU H 1 46 GLU HG2 . . 5.090 4.417 4.208 4.580 . 0 0 "[ . 1 . 2]" 1
1043 1 46 GLU H 1 46 GLU QG . . 4.300 4.070 3.940 4.206 . 0 0 "[ . 1 . 2]" 1
1044 1 46 GLU H 1 46 GLU HG3 . . 5.090 4.773 4.641 4.928 . 0 0 "[ . 1 . 2]" 1
1045 1 46 GLU H 1 51 VAL MG1 . . 5.500 4.895 4.536 5.212 . 0 0 "[ . 1 . 2]" 1
1046 1 46 GLU H 1 51 VAL MG2 . . 5.480 4.714 4.312 5.067 . 0 0 "[ . 1 . 2]" 1
1047 1 46 GLU H 1 54 PHE QE . . 5.360 4.380 4.196 4.722 . 0 0 "[ . 1 . 2]" 1
1048 1 46 GLU H 1 54 PHE HZ . . 5.020 4.797 4.274 5.019 . 0 0 "[ . 1 . 2]" 1
1049 1 46 GLU HA 1 46 GLU HG2 . . 4.100 3.062 2.551 3.321 . 0 0 "[ . 1 . 2]" 1
1050 1 46 GLU HA 1 46 GLU QG . . 3.530 2.530 2.330 2.732 . 0 0 "[ . 1 . 2]" 1
1051 1 46 GLU HA 1 46 GLU HG3 . . 4.100 2.850 2.388 3.794 . 0 0 "[ . 1 . 2]" 1
1052 1 46 GLU HA 1 47 HIS H . . 2.730 2.282 2.201 2.362 . 0 0 "[ . 1 . 2]" 1
1053 1 46 GLU HA 1 50 ARG H . . 4.750 4.208 3.955 4.480 . 0 0 "[ . 1 . 2]" 1
1054 1 46 GLU HA 1 51 VAL HA . . 3.090 2.316 2.023 2.524 . 0 0 "[ . 1 . 2]" 1
1055 1 46 GLU HA 1 51 VAL MG1 . . 4.510 3.655 3.367 3.891 . 0 0 "[ . 1 . 2]" 1
1056 1 46 GLU HA 1 51 VAL MG2 . . 3.870 2.869 2.495 3.304 . 0 0 "[ . 1 . 2]" 1
1057 1 46 GLU HA 1 52 GLY H . . 4.000 3.693 3.382 3.985 . 0 0 "[ . 1 . 2]" 1
1058 1 46 GLU HB2 1 47 HIS H . . 4.710 3.877 3.605 4.074 . 0 0 "[ . 1 . 2]" 1
1059 1 46 GLU HB2 1 51 VAL HA . . 4.280 3.697 3.307 4.254 . 0 0 "[ . 1 . 2]" 1
1060 1 46 GLU HB2 1 51 VAL MG2 . . 3.450 2.345 1.969 2.822 . 0 0 "[ . 1 . 2]" 1
1061 1 46 GLU HB3 1 47 HIS H . . 4.120 3.911 3.616 4.117 . 0 0 "[ . 1 . 2]" 1
1062 1 46 GLU HB3 1 51 VAL MG2 . . 4.410 3.814 3.457 4.198 . 0 0 "[ . 1 . 2]" 1
1063 1 46 GLU QG 1 47 HIS H . . 3.300 2.150 1.914 2.443 . 0 0 "[ . 1 . 2]" 1
1064 1 46 GLU QG 1 47 HIS HA . . 4.660 3.330 3.007 3.804 . 0 0 "[ . 1 . 2]" 1
1065 1 46 GLU QG 1 49 GLY H . . 3.680 3.114 2.777 3.488 . 0 0 "[ . 1 . 2]" 1
1066 1 46 GLU QG 1 49 GLY QA . . 4.510 3.246 3.075 3.469 . 0 0 "[ . 1 . 2]" 1
1067 1 46 GLU QG 1 50 ARG H . . 3.870 2.643 2.405 3.119 . 0 0 "[ . 1 . 2]" 1
1068 1 46 GLU QG 1 51 VAL MG2 . . 3.430 2.482 2.122 3.365 . 0 0 "[ . 1 . 2]" 1
1069 1 46 GLU HG2 1 47 HIS H . . 4.000 2.344 1.921 2.891 . 0 0 "[ . 1 . 2]" 1
1070 1 46 GLU HG2 1 49 GLY H . . 4.530 3.257 2.841 3.671 . 0 0 "[ . 1 . 2]" 1
1071 1 46 GLU HG2 1 50 ARG H . . 4.510 3.060 2.522 3.548 . 0 0 "[ . 1 . 2]" 1
1072 1 46 GLU HG2 1 51 VAL MG2 . . 3.970 3.739 3.033 3.962 . 0 0 "[ . 1 . 2]" 1
1073 1 46 GLU HG3 1 47 HIS H . . 4.000 2.789 2.144 3.770 . 0 0 "[ . 1 . 2]" 1
1074 1 46 GLU HG3 1 49 GLY H . . 4.530 3.996 3.469 4.398 . 0 0 "[ . 1 . 2]" 1
1075 1 46 GLU HG3 1 50 ARG H . . 4.510 3.091 2.570 4.108 . 0 0 "[ . 1 . 2]" 1
1076 1 46 GLU HG3 1 51 VAL MG2 . . 3.970 2.573 2.137 3.773 . 0 0 "[ . 1 . 2]" 1
1077 1 47 HIS H 1 47 HIS HB2 . . 3.950 3.389 3.207 3.572 . 0 0 "[ . 1 . 2]" 1
1078 1 47 HIS H 1 47 HIS HB3 . . 3.610 3.032 2.792 3.133 . 0 0 "[ . 1 . 2]" 1
1079 1 47 HIS H 1 50 ARG H . . 3.540 2.423 2.152 2.644 . 0 0 "[ . 1 . 2]" 1
1080 1 47 HIS H 1 50 ARG QB . . 3.790 3.338 3.046 3.643 . 0 0 "[ . 1 . 2]" 1
1081 1 47 HIS H 1 51 VAL HA . . 4.060 3.701 3.501 3.837 . 0 0 "[ . 1 . 2]" 1
1082 1 47 HIS H 1 51 VAL MG2 . . 4.470 3.926 3.494 4.178 . 0 0 "[ . 1 . 2]" 1
1083 1 47 HIS HA 1 47 HIS HD2 . . 3.900 3.052 2.537 3.830 . 0 0 "[ . 1 . 2]" 1
1084 1 48 HIS HA 1 48 HIS HD2 . . 3.930 2.625 2.155 3.400 . 0 0 "[ . 1 . 2]" 1
1085 1 48 HIS HA 1 49 GLY H . . 3.360 2.722 2.624 2.890 . 0 0 "[ . 1 . 2]" 1
1086 1 49 GLY H 1 50 ARG H . . 3.420 2.652 2.473 2.794 . 0 0 "[ . 1 . 2]" 1
1087 1 49 GLY QA 1 50 ARG QB . . 5.180 4.098 4.067 4.162 . 0 0 "[ . 1 . 2]" 1
1088 1 50 ARG H 1 50 ARG HB2 . . 3.300 2.990 2.790 3.258 . 0 0 "[ . 1 . 2]" 1
1089 1 50 ARG H 1 50 ARG HB3 . . 3.300 2.898 2.669 3.011 . 0 0 "[ . 1 . 2]" 1
1090 1 50 ARG H 1 50 ARG HG2 . . 4.860 4.735 4.515 4.862 0.002 3 0 "[ . 1 . 2]" 1
1091 1 50 ARG H 1 50 ARG HG3 . . 4.860 4.596 4.386 4.750 . 0 0 "[ . 1 . 2]" 1
1092 1 50 ARG H 1 51 VAL MG2 . . 4.910 4.119 3.928 4.388 . 0 0 "[ . 1 . 2]" 1
1093 1 50 ARG HA 1 50 ARG HG2 . . 4.010 3.181 2.635 3.842 . 0 0 "[ . 1 . 2]" 1
1094 1 50 ARG HA 1 50 ARG QG . . 3.150 2.350 2.176 2.788 . 0 0 "[ . 1 . 2]" 1
1095 1 50 ARG HA 1 50 ARG HG3 . . 4.010 2.433 2.222 2.862 . 0 0 "[ . 1 . 2]" 1
1096 1 50 ARG HA 1 51 VAL H . . 2.770 2.210 2.140 2.504 . 0 0 "[ . 1 . 2]" 1
1097 1 50 ARG HA 1 51 VAL HA . . 4.880 4.409 4.387 4.503 . 0 0 "[ . 1 . 2]" 1
1098 1 50 ARG HA 1 51 VAL HB . . 4.940 4.588 4.487 4.746 . 0 0 "[ . 1 . 2]" 1
1099 1 50 ARG HA 1 51 VAL MG2 . . 4.190 3.612 3.184 3.917 . 0 0 "[ . 1 . 2]" 1
1100 1 50 ARG QB 1 50 ARG QD . . 3.040 2.198 2.051 2.459 . 0 0 "[ . 1 . 2]" 1
1101 1 50 ARG QB 1 50 ARG QG . . 2.360 2.066 2.019 2.087 . 0 0 "[ . 1 . 2]" 1
1102 1 50 ARG HB2 1 51 VAL H . . 4.720 4.253 3.857 4.493 . 0 0 "[ . 1 . 2]" 1
1103 1 50 ARG HB3 1 51 VAL H . . 4.720 3.888 3.033 4.228 . 0 0 "[ . 1 . 2]" 1
1104 1 50 ARG QG 1 51 VAL H . . 3.570 2.627 1.940 3.150 . 0 0 "[ . 1 . 2]" 1
1105 1 50 ARG QG 1 52 GLY H . . 5.340 4.947 4.559 5.212 . 0 0 "[ . 1 . 2]" 1
1106 1 50 ARG HG2 1 51 VAL H . . 4.270 3.206 1.989 4.177 . 0 0 "[ . 1 . 2]" 1
1107 1 50 ARG HG3 1 51 VAL H . . 4.270 3.018 2.226 3.857 . 0 0 "[ . 1 . 2]" 1
1108 1 51 VAL H 1 51 VAL HB . . 3.050 2.617 2.479 2.860 . 0 0 "[ . 1 . 2]" 1
1109 1 51 VAL H 1 51 VAL MG1 . . 4.250 3.838 3.761 3.940 . 0 0 "[ . 1 . 2]" 1
1110 1 51 VAL H 1 51 VAL MG2 . . 3.240 2.738 2.476 2.939 . 0 0 "[ . 1 . 2]" 1
1111 1 51 VAL HA 1 51 VAL MG1 . . 3.320 2.349 2.245 2.443 . 0 0 "[ . 1 . 2]" 1
1112 1 51 VAL HA 1 51 VAL MG2 . . 3.150 2.349 2.258 2.554 . 0 0 "[ . 1 . 2]" 1
1113 1 51 VAL HA 1 52 GLY H . . 2.730 2.194 2.148 2.259 . 0 0 "[ . 1 . 2]" 1
1114 1 51 VAL HB 1 52 GLY H . . 4.330 4.063 3.862 4.263 . 0 0 "[ . 1 . 2]" 1
1115 1 51 VAL MG1 1 52 GLY H . . 3.110 2.258 1.920 2.727 . 0 0 "[ . 1 . 2]" 1
1116 1 51 VAL MG1 1 52 GLY HA2 . . 4.100 3.248 3.050 3.404 . 0 0 "[ . 1 . 2]" 1
1117 1 51 VAL MG2 1 52 GLY H . . 4.510 3.949 3.830 4.115 . 0 0 "[ . 1 . 2]" 1
1118 1 52 GLY H 1 53 ILE HA . . 5.000 4.637 4.556 4.727 . 0 0 "[ . 1 . 2]" 1
1119 1 52 GLY H 1 54 PHE QD . . 5.100 4.741 4.410 4.891 . 0 0 "[ . 1 . 2]" 1
1120 1 52 GLY H 1 54 PHE QE . . 4.650 4.260 3.862 4.502 . 0 0 "[ . 1 . 2]" 1
1121 1 52 GLY HA2 1 53 ILE H . . 3.390 2.762 2.432 2.980 . 0 0 "[ . 1 . 2]" 1
1122 1 52 GLY HA2 1 53 ILE MG . . 4.130 3.279 3.143 3.420 . 0 0 "[ . 1 . 2]" 1
1123 1 52 GLY HA3 1 53 ILE H . . 3.240 2.389 2.227 2.701 . 0 0 "[ . 1 . 2]" 1
1124 1 52 GLY HA3 1 53 ILE QG . . 5.340 4.359 4.194 4.545 . 0 0 "[ . 1 . 2]" 1
1125 1 52 GLY HA3 1 53 ILE MG . . 4.800 4.074 3.877 4.335 . 0 0 "[ . 1 . 2]" 1
1126 1 53 ILE H 1 53 ILE MD . . 4.290 3.982 3.838 4.094 . 0 0 "[ . 1 . 2]" 1
1127 1 53 ILE H 1 53 ILE HG12 . . 3.740 2.450 2.241 2.658 . 0 0 "[ . 1 . 2]" 1
1128 1 53 ILE H 1 53 ILE QG . . 3.210 2.326 2.196 2.445 . 0 0 "[ . 1 . 2]" 1
1129 1 53 ILE H 1 53 ILE HG13 . . 3.740 2.945 2.702 3.328 . 0 0 "[ . 1 . 2]" 1
1130 1 53 ILE H 1 53 ILE MG . . 3.330 2.643 2.341 2.848 . 0 0 "[ . 1 . 2]" 1
1131 1 53 ILE HA 1 53 ILE MD . . 4.690 4.130 4.079 4.167 . 0 0 "[ . 1 . 2]" 1
1132 1 53 ILE HA 1 53 ILE MG . . 3.080 2.400 2.336 2.453 . 0 0 "[ . 1 . 2]" 1
1133 1 53 ILE HA 1 54 PHE H . . 2.860 2.331 2.264 2.391 . 0 0 "[ . 1 . 2]" 1
1134 1 53 ILE HA 1 54 PHE QD . . 4.110 3.265 2.879 3.525 . 0 0 "[ . 1 . 2]" 1
1135 1 53 ILE HA 1 54 PHE QE . . 5.100 4.063 3.709 4.226 . 0 0 "[ . 1 . 2]" 1
1136 1 53 ILE HB 1 53 ILE MD . . 3.360 2.311 2.154 2.453 . 0 0 "[ . 1 . 2]" 1
1137 1 53 ILE HB 1 54 PHE H . . 3.330 2.588 2.434 2.760 . 0 0 "[ . 1 . 2]" 1
1138 1 53 ILE HB 1 54 PHE HA . . 5.410 4.364 4.297 4.477 . 0 0 "[ . 1 . 2]" 1
1139 1 53 ILE MD 1 53 ILE MG . . 2.850 2.156 1.942 2.412 . 0 0 "[ . 1 . 2]" 1
1140 1 53 ILE MD 1 54 PHE H . . 4.580 4.051 3.741 4.321 . 0 0 "[ . 1 . 2]" 1
1141 1 53 ILE QG 1 54 PHE H . . 5.230 3.520 3.292 3.705 . 0 0 "[ . 1 . 2]" 1
1142 1 53 ILE QG 1 54 PHE HA . . 5.340 3.453 3.230 3.589 . 0 0 "[ . 1 . 2]" 1
1143 1 53 ILE MG 1 54 PHE H . . 4.080 3.839 3.765 3.933 . 0 0 "[ . 1 . 2]" 1
1144 1 54 PHE H 1 54 PHE QD . . 3.780 3.219 2.929 3.374 . 0 0 "[ . 1 . 2]" 1
1145 1 54 PHE HA 1 55 PRO HD2 . . 3.280 2.381 2.323 2.440 . 0 0 "[ . 1 . 2]" 1
1146 1 54 PHE HA 1 55 PRO HD3 . . 2.910 2.292 2.272 2.314 . 0 0 "[ . 1 . 2]" 1
1147 1 54 PHE HA 1 55 PRO HG3 . . 4.770 4.460 4.427 4.495 . 0 0 "[ . 1 . 2]" 1
1148 1 54 PHE HB2 1 55 PRO HD2 . . 3.590 2.144 2.038 2.276 . 0 0 "[ . 1 . 2]" 1
1149 1 54 PHE HB2 1 55 PRO HD3 . . 3.870 3.574 3.484 3.686 . 0 0 "[ . 1 . 2]" 1
1150 1 54 PHE HB3 1 55 PRO HD2 . . 4.210 3.099 2.966 3.237 . 0 0 "[ . 1 . 2]" 1
1151 1 54 PHE HB3 1 55 PRO HD3 . . 4.250 4.113 3.992 4.234 . 0 0 "[ . 1 . 2]" 1
1152 1 54 PHE QD 1 59 ILE H . . 5.500 4.459 4.269 4.638 . 0 0 "[ . 1 . 2]" 1
1153 1 54 PHE QD 1 59 ILE HG12 . . 4.380 2.893 2.551 3.145 . 0 0 "[ . 1 . 2]" 1
1154 1 54 PHE QD 1 59 ILE QG . . 3.810 2.806 2.496 3.030 . 0 0 "[ . 1 . 2]" 1
1155 1 54 PHE QD 1 59 ILE HG13 . . 4.380 3.791 3.490 4.105 . 0 0 "[ . 1 . 2]" 1
1156 1 54 PHE QD 1 59 ILE MG . . 3.510 2.484 2.097 2.838 . 0 0 "[ . 1 . 2]" 1
1157 1 54 PHE QE 1 59 ILE H . . 5.500 5.451 5.269 5.501 0.001 8 0 "[ . 1 . 2]" 1
1158 1 54 PHE QE 1 59 ILE MD . . 4.040 3.415 3.200 3.753 . 0 0 "[ . 1 . 2]" 1
1159 1 54 PHE QE 1 59 ILE QG . . 3.590 2.326 2.048 2.507 . 0 0 "[ . 1 . 2]" 1
1160 1 54 PHE QE 1 59 ILE MG . . 3.330 2.600 2.172 2.831 . 0 0 "[ . 1 . 2]" 1
1161 1 54 PHE HZ 1 59 ILE MG . . 4.790 4.254 3.994 4.479 . 0 0 "[ . 1 . 2]" 1
1162 1 55 PRO HA 1 56 ARG H . . 2.670 2.193 2.154 2.247 . 0 0 "[ . 1 . 2]" 1
1163 1 55 PRO HA 1 56 ARG QB . . 4.710 4.185 4.076 4.447 . 0 0 "[ . 1 . 2]" 1
1164 1 55 PRO HA 1 57 THR H . . 5.500 4.007 3.570 4.249 . 0 0 "[ . 1 . 2]" 1
1165 1 55 PRO HB2 1 56 ARG H . . 4.240 3.287 3.058 3.554 . 0 0 "[ . 1 . 2]" 1
1166 1 55 PRO HB2 1 57 THR H . . 5.080 2.960 2.415 3.218 . 0 0 "[ . 1 . 2]" 1
1167 1 55 PRO HB2 1 58 TYR H . . 3.690 3.037 2.857 3.311 . 0 0 "[ . 1 . 2]" 1
1168 1 55 PRO HB2 1 58 TYR HB2 . . 4.280 3.478 3.330 3.772 . 0 0 "[ . 1 . 2]" 1
1169 1 55 PRO HB2 1 58 TYR QD . . 3.920 2.444 2.271 2.696 . 0 0 "[ . 1 . 2]" 1
1170 1 55 PRO HB2 1 58 TYR QE . . 4.690 3.996 3.596 4.306 . 0 0 "[ . 1 . 2]" 1
1171 1 55 PRO HB3 1 56 ARG H . . 4.230 3.841 3.700 4.016 . 0 0 "[ . 1 . 2]" 1
1172 1 55 PRO HB3 1 58 TYR H . . 5.040 4.739 4.590 4.993 . 0 0 "[ . 1 . 2]" 1
1173 1 55 PRO HB3 1 58 TYR QD . . 4.400 3.759 3.547 3.942 . 0 0 "[ . 1 . 2]" 1
1174 1 55 PRO HD2 1 58 TYR H . . 5.490 5.105 4.704 5.270 . 0 0 "[ . 1 . 2]" 1
1175 1 55 PRO HD2 1 58 TYR HB2 . . 4.300 3.490 3.254 3.647 . 0 0 "[ . 1 . 2]" 1
1176 1 55 PRO HD2 1 58 TYR HB3 . . 4.660 4.467 4.274 4.659 . 0 0 "[ . 1 . 2]" 1
1177 1 55 PRO HD3 1 58 TYR HB2 . . 5.010 4.764 4.649 4.889 . 0 0 "[ . 1 . 2]" 1
1178 1 55 PRO HG2 1 58 TYR QD . . 4.700 2.222 2.008 2.617 . 0 0 "[ . 1 . 2]" 1
1179 1 55 PRO HG2 1 58 TYR QE . . 4.510 3.712 3.560 3.903 . 0 0 "[ . 1 . 2]" 1
1180 1 56 ARG H 1 56 ARG HB2 . . 3.730 3.020 2.558 3.606 . 0 0 "[ . 1 . 2]" 1
1181 1 56 ARG H 1 56 ARG QB . . 2.930 2.310 2.143 2.648 . 0 0 "[ . 1 . 2]" 1
1182 1 56 ARG H 1 56 ARG HB3 . . 3.730 2.410 2.203 2.725 . 0 0 "[ . 1 . 2]" 1
1183 1 56 ARG H 1 56 ARG QD . . 5.340 4.182 3.743 4.737 . 0 0 "[ . 1 . 2]" 1
1184 1 56 ARG H 1 56 ARG QG . . 4.600 3.382 2.002 4.056 . 0 0 "[ . 1 . 2]" 1
1185 1 56 ARG HA 1 56 ARG HG2 . . 4.070 3.308 2.469 3.902 . 0 0 "[ . 1 . 2]" 1
1186 1 56 ARG HA 1 56 ARG HG3 . . 4.070 3.249 2.772 3.760 . 0 0 "[ . 1 . 2]" 1
1187 1 56 ARG HA 1 58 TYR H . . 4.330 3.574 3.374 3.837 . 0 0 "[ . 1 . 2]" 1
1188 1 56 ARG HA 1 59 ILE H . . 4.640 3.068 3.003 3.164 . 0 0 "[ . 1 . 2]" 1
1189 1 56 ARG HA 1 59 ILE HB . . 5.150 4.964 4.899 5.090 . 0 0 "[ . 1 . 2]" 1
1190 1 56 ARG HA 1 59 ILE MD . . 4.350 3.016 2.787 3.259 . 0 0 "[ . 1 . 2]" 1
1191 1 56 ARG HA 1 59 ILE HG12 . . 4.320 2.944 2.777 3.074 . 0 0 "[ . 1 . 2]" 1
1192 1 56 ARG HA 1 59 ILE QG . . 3.780 2.002 1.963 2.124 . 0 0 "[ . 1 . 2]" 1
1193 1 56 ARG HA 1 59 ILE HG13 . . 4.320 2.038 1.998 2.170 . 0 0 "[ . 1 . 2]" 1
1194 1 56 ARG QB 1 56 ARG QD . . 3.180 2.183 2.086 2.546 . 0 0 "[ . 1 . 2]" 1
1195 1 56 ARG QB 1 57 THR H . . 4.040 2.930 2.429 3.691 . 0 0 "[ . 1 . 2]" 1
1196 1 56 ARG QB 1 58 TYR H . . 5.340 4.543 4.405 4.878 . 0 0 "[ . 1 . 2]" 1
1197 1 56 ARG QG 1 57 THR H . . 4.000 3.113 1.958 3.976 . 0 0 "[ . 1 . 2]" 1
1198 1 57 THR H 1 57 THR MG . . 3.640 2.517 1.850 3.644 0.004 20 0 "[ . 1 . 2]" 1
1199 1 57 THR H 1 58 TYR H . . 3.850 2.723 2.517 2.855 . 0 0 "[ . 1 . 2]" 1
1200 1 57 THR HA 1 57 THR MG . . 3.250 2.684 2.023 3.207 . 0 0 "[ . 1 . 2]" 1
1201 1 57 THR HA 1 59 ILE H . . 4.430 4.278 4.063 4.375 . 0 0 "[ . 1 . 2]" 1
1202 1 57 THR HB 1 58 TYR H . . 4.850 3.945 3.211 4.468 . 0 0 "[ . 1 . 2]" 1
1203 1 57 THR MG 1 58 TYR H . . 4.630 3.340 2.185 4.371 . 0 0 "[ . 1 . 2]" 1
1204 1 58 TYR H 1 58 TYR HB2 . . 3.080 2.236 2.181 2.331 . 0 0 "[ . 1 . 2]" 1
1205 1 58 TYR H 1 58 TYR HB3 . . 3.650 3.508 3.484 3.545 . 0 0 "[ . 1 . 2]" 1
1206 1 58 TYR H 1 58 TYR QD . . 3.560 2.700 2.446 3.084 . 0 0 "[ . 1 . 2]" 1
1207 1 58 TYR H 1 59 ILE H . . 3.070 2.264 2.005 2.487 . 0 0 "[ . 1 . 2]" 1
1208 1 58 TYR H 1 59 ILE QG . . 4.620 3.702 3.405 3.858 . 0 0 "[ . 1 . 2]" 1
1209 1 58 TYR H 1 59 ILE MG . . 4.450 3.915 3.625 4.218 . 0 0 "[ . 1 . 2]" 1
1210 1 58 TYR HA 1 58 TYR QD . . 3.920 3.013 2.938 3.056 . 0 0 "[ . 1 . 2]" 1
1211 1 58 TYR HB2 1 59 ILE H . . 4.280 3.031 2.911 3.260 . 0 0 "[ . 1 . 2]" 1
1212 1 58 TYR HB2 1 59 ILE MG . . 4.490 3.131 2.955 3.216 . 0 0 "[ . 1 . 2]" 1
1213 1 58 TYR HB3 1 59 ILE H . . 4.760 3.548 3.396 3.731 . 0 0 "[ . 1 . 2]" 1
1214 1 58 TYR HB3 1 59 ILE MG . . 4.500 2.994 2.861 3.109 . 0 0 "[ . 1 . 2]" 1
1215 1 59 ILE H 1 59 ILE HB . . 3.830 3.759 3.739 3.814 . 0 0 "[ . 1 . 2]" 1
1216 1 59 ILE H 1 59 ILE MD . . 4.280 3.498 3.334 3.627 . 0 0 "[ . 1 . 2]" 1
1217 1 59 ILE H 1 59 ILE HG12 . . 3.660 3.452 3.372 3.530 . 0 0 "[ . 1 . 2]" 1
1218 1 59 ILE H 1 59 ILE QG . . 3.100 2.031 1.949 2.118 . 0 0 "[ . 1 . 2]" 1
1219 1 59 ILE H 1 59 ILE HG13 . . 3.660 2.046 1.961 2.138 . 0 0 "[ . 1 . 2]" 1
1220 1 59 ILE H 1 59 ILE MG . . 3.570 2.521 2.389 2.615 . 0 0 "[ . 1 . 2]" 1
1221 1 59 ILE H 1 60 GLU H . . 4.660 4.468 4.423 4.512 . 0 0 "[ . 1 . 2]" 1
1222 1 59 ILE HA 1 59 ILE MD . . 3.720 3.587 3.500 3.631 . 0 0 "[ . 1 . 2]" 1
1223 1 59 ILE HA 1 59 ILE MG . . 3.080 2.448 2.415 2.485 . 0 0 "[ . 1 . 2]" 1
1224 1 59 ILE HA 1 60 GLU H . . 2.820 2.554 2.452 2.648 . 0 0 "[ . 1 . 2]" 1
1225 1 59 ILE HB 1 59 ILE MD . . 3.390 2.136 2.083 2.202 . 0 0 "[ . 1 . 2]" 1
1226 1 59 ILE HB 1 60 GLU H . . 3.340 2.134 1.961 2.305 . 0 0 "[ . 1 . 2]" 1
1227 1 59 ILE MD 1 60 GLU H . . 3.720 2.367 2.128 2.713 . 0 0 "[ . 1 . 2]" 1
1228 1 59 ILE MD 1 60 GLU HA . . 4.080 2.631 2.375 2.921 . 0 0 "[ . 1 . 2]" 1
1229 1 59 ILE MD 1 61 LEU H . . 4.190 2.898 2.579 3.534 . 0 0 "[ . 1 . 2]" 1
1230 1 59 ILE MD 1 61 LEU HA . . 4.790 3.334 3.101 3.626 . 0 0 "[ . 1 . 2]" 1
1231 1 59 ILE HG12 1 59 ILE MG . . 3.480 2.122 2.061 2.159 . 0 0 "[ . 1 . 2]" 1
1232 1 59 ILE HG12 1 60 GLU H . . 4.690 4.326 4.090 4.594 . 0 0 "[ . 1 . 2]" 1
1233 1 59 ILE HG13 1 59 ILE MG . . 3.480 2.688 2.620 2.723 . 0 0 "[ . 1 . 2]" 1
1234 1 59 ILE HG13 1 60 GLU H . . 4.690 3.992 3.782 4.233 . 0 0 "[ . 1 . 2]" 1
1235 1 59 ILE MG 1 60 GLU H . . 3.730 3.666 3.569 3.726 . 0 0 "[ . 1 . 2]" 1
1236 1 60 GLU H 1 60 GLU HB2 . . 4.200 3.640 3.300 3.965 . 0 0 "[ . 1 . 2]" 1
1237 1 60 GLU H 1 60 GLU QB . . 3.520 2.813 2.545 3.167 . 0 0 "[ . 1 . 2]" 1
1238 1 60 GLU H 1 60 GLU HB3 . . 4.200 2.930 2.637 3.380 . 0 0 "[ . 1 . 2]" 1
1239 1 60 GLU H 1 60 GLU QG . . 4.080 3.298 2.231 4.066 . 0 0 "[ . 1 . 2]" 1
1240 1 60 GLU H 1 62 LEU MD2 . . 5.500 5.202 4.800 5.496 . 0 0 "[ . 1 . 2]" 1
1241 1 60 GLU HA 1 60 GLU QG . . 3.870 3.103 2.521 3.438 . 0 0 "[ . 1 . 2]" 1
1242 1 60 GLU HA 1 61 LEU H . . 2.900 2.159 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
1243 1 60 GLU HB2 1 61 LEU H . . 4.690 3.807 2.768 4.321 . 0 0 "[ . 1 . 2]" 1
1244 1 60 GLU HB3 1 61 LEU H . . 4.690 4.346 3.849 4.481 . 0 0 "[ . 1 . 2]" 1
1245 1 60 GLU QG 1 61 LEU H . . 4.110 3.619 3.053 4.111 0.001 7 0 "[ . 1 . 2]" 1
1246 1 60 GLU QG 1 62 LEU MD2 . . 4.010 3.001 2.362 3.526 . 0 0 "[ . 1 . 2]" 1
1247 1 61 LEU H 1 61 LEU HB2 . . 3.670 2.270 2.164 2.519 . 0 0 "[ . 1 . 2]" 1
1248 1 61 LEU H 1 61 LEU QB . . 2.970 2.244 2.144 2.471 . 0 0 "[ . 1 . 2]" 1
1249 1 61 LEU H 1 61 LEU HB3 . . 3.670 3.533 3.481 3.585 . 0 0 "[ . 1 . 2]" 1
1250 1 61 LEU H 1 61 LEU MD1 . . 4.100 3.529 3.278 3.875 . 0 0 "[ . 1 . 2]" 1
1251 1 61 LEU H 1 61 LEU MD2 . . 4.100 3.889 3.561 4.049 . 0 0 "[ . 1 . 2]" 1
1252 1 61 LEU H 1 61 LEU HG . . 3.220 2.755 2.181 3.058 . 0 0 "[ . 1 . 2]" 1
1253 1 61 LEU H 1 62 LEU H . . 4.790 4.440 4.230 4.606 . 0 0 "[ . 1 . 2]" 1
1254 1 61 LEU HA 1 61 LEU MD1 . . 4.380 3.846 3.817 3.919 . 0 0 "[ . 1 . 2]" 1
1255 1 61 LEU HA 1 61 LEU MD2 . . 3.130 2.188 2.007 2.474 . 0 0 "[ . 1 . 2]" 1
1256 1 61 LEU HA 1 61 LEU HG . . 3.730 2.738 2.590 2.894 . 0 0 "[ . 1 . 2]" 1
1257 1 61 LEU HA 1 62 LEU H . . 2.820 2.155 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
1258 1 61 LEU HA 1 62 LEU HG . . 4.970 3.946 3.761 4.198 . 0 0 "[ . 1 . 2]" 1
1259 1 61 LEU QB 1 61 LEU MD1 . . 3.000 2.066 1.943 2.099 . 0 0 "[ . 1 . 2]" 1
1260 1 61 LEU QB 1 61 LEU MD2 . . 3.150 2.197 2.053 2.287 . 0 0 "[ . 1 . 2]" 1
1261 1 61 LEU QB 1 62 LEU H . . 4.030 3.408 3.006 3.689 . 0 0 "[ . 1 . 2]" 1
1262 1 61 LEU HB2 1 61 LEU MD1 . . 3.430 2.226 2.000 2.362 . 0 0 "[ . 1 . 2]" 1
1263 1 61 LEU HB2 1 62 LEU H . . 4.650 4.424 4.220 4.555 . 0 0 "[ . 1 . 2]" 1
1264 1 61 LEU HB3 1 61 LEU MD1 . . 3.430 2.477 2.338 2.648 . 0 0 "[ . 1 . 2]" 1
1265 1 61 LEU HB3 1 62 LEU H . . 4.650 3.547 3.077 3.899 . 0 0 "[ . 1 . 2]" 1
1266 1 61 LEU MD1 1 62 LEU H . . 5.440 5.225 4.867 5.436 . 0 0 "[ . 1 . 2]" 1
1267 1 61 LEU MD2 1 62 LEU H . . 4.050 3.384 2.898 3.808 . 0 0 "[ . 1 . 2]" 1
1268 1 61 LEU HG 1 62 LEU H . . 5.460 4.820 4.603 5.002 . 0 0 "[ . 1 . 2]" 1
1269 1 62 LEU H 1 62 LEU HB2 . . 3.170 2.476 2.329 2.562 . 0 0 "[ . 1 . 2]" 1
1270 1 62 LEU H 1 62 LEU HB3 . . 3.790 3.603 3.569 3.654 . 0 0 "[ . 1 . 2]" 1
1271 1 62 LEU H 1 62 LEU MD1 . . 4.130 3.488 3.089 3.672 . 0 0 "[ . 1 . 2]" 1
1272 1 62 LEU H 1 62 LEU MD2 . . 4.450 3.613 3.328 3.816 . 0 0 "[ . 1 . 2]" 1
1273 1 62 LEU H 1 62 LEU HG . . 3.420 2.374 2.092 2.725 . 0 0 "[ . 1 . 2]" 1
1274 1 62 LEU HA 1 62 LEU MD2 . . 3.070 2.279 2.004 2.583 . 0 0 "[ . 1 . 2]" 1
1275 1 62 LEU HA 1 62 LEU HG . . 4.060 2.993 2.852 3.127 . 0 0 "[ . 1 . 2]" 1
1276 1 62 LEU HB2 1 62 LEU MD1 . . 3.470 2.170 2.077 2.249 . 0 0 "[ . 1 . 2]" 1
1277 1 62 LEU HB3 1 62 LEU MD1 . . 3.620 2.498 2.384 2.607 . 0 0 "[ . 1 . 2]" 1
1278 1 64 GLY HA2 1 65 PRO QD . . 3.420 2.458 1.957 3.401 . 0 0 "[ . 1 . 2]" 1
1279 1 64 GLY HA2 1 65 PRO QG . . 5.500 4.343 3.856 5.192 . 0 0 "[ . 1 . 2]" 1
1280 1 64 GLY HA3 1 65 PRO QD . . 3.420 2.534 1.957 3.414 . 0 0 "[ . 1 . 2]" 1
1281 1 64 GLY HA3 1 65 PRO QG . . 5.500 4.352 3.856 5.136 . 0 0 "[ . 1 . 2]" 1
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