NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471574 |
2kmu   |
16544 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kmu
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 1077
_Distance_constraint_stats_list.Viol_count 832
_Distance_constraint_stats_list.Viol_total 923.342
_Distance_constraint_stats_list.Viol_max 0.302
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0555
_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 2 SER 0.010 0.009 7 0 "[ . 1 . 2]"
1 3 MET 0.042 0.032 7 0 "[ . 1 . 2]"
1 4 GLU 0.529 0.065 6 0 "[ . 1 . 2]"
1 5 ARG 0.049 0.032 7 0 "[ . 1 . 2]"
1 6 LEU 0.424 0.036 15 0 "[ . 1 . 2]"
1 7 ARG 0.008 0.003 10 0 "[ . 1 . 2]"
1 8 ASP 0.016 0.016 13 0 "[ . 1 . 2]"
1 9 VAL 0.010 0.003 8 0 "[ . 1 . 2]"
1 10 ARG 3.965 0.170 10 0 "[ . 1 . 2]"
1 11 GLU 3.195 0.170 10 0 "[ . 1 . 2]"
1 12 ARG 0.803 0.036 11 0 "[ . 1 . 2]"
1 13 LEU 1.643 0.057 9 0 "[ . 1 . 2]"
1 14 GLN 0.442 0.096 15 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 4.530 0.130 20 0 "[ . 1 . 2]"
1 17 GLU 1.065 0.108 16 0 "[ . 1 . 2]"
1 18 ARG 0.190 0.033 11 0 "[ . 1 . 2]"
1 19 ALA 1.485 0.125 17 0 "[ . 1 . 2]"
1 20 PHE 0.411 0.076 14 0 "[ . 1 . 2]"
1 21 ARG 5.897 0.198 17 0 "[ . 1 . 2]"
1 22 ARG 3.564 0.198 17 0 "[ . 1 . 2]"
1 23 GLN 4.233 0.302 14 0 "[ . 1 . 2]"
1 24 ARG 4.599 0.245 1 0 "[ . 1 . 2]"
1 25 GLY 0.677 0.113 17 0 "[ . 1 . 2]"
1 26 ARG 0.840 0.107 9 0 "[ . 1 . 2]"
1 27 ARG 1.177 0.113 16 0 "[ . 1 . 2]"
1 28 PRO 2.311 0.126 18 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.397 0.058 5 0 "[ . 1 . 2]"
1 31 ASP 0.786 0.107 12 0 "[ . 1 . 2]"
1 32 ASP 3.997 0.178 18 0 "[ . 1 . 2]"
1 33 VAL 4.304 0.145 5 0 "[ . 1 . 2]"
1 34 GLU 2.415 0.135 12 0 "[ . 1 . 2]"
1 35 ALA 2.643 0.178 18 0 "[ . 1 . 2]"
1 36 ALA 0.291 0.145 5 0 "[ . 1 . 2]"
1 37 PRO 2.408 0.184 11 0 "[ . 1 . 2]"
1 38 GLU 0.012 0.012 17 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 4.326 0.190 19 0 "[ . 1 . 2]"
1 41 ARG 0.343 0.107 12 0 "[ . 1 . 2]"
1 42 ALA 0.012 0.012 17 0 "[ . 1 . 2]"
1 43 LEU 5.582 0.190 19 0 "[ . 1 . 2]"
1 44 TYR 0.398 0.095 17 0 "[ . 1 . 2]"
1 45 ARG 1.196 0.065 20 0 "[ . 1 . 2]"
1 46 GLU 1.844 0.065 20 0 "[ . 1 . 2]"
1 47 TYR 1.968 0.073 17 0 "[ . 1 . 2]"
1 48 ARG 4.557 0.179 12 0 "[ . 1 . 2]"
1 49 THR 3.789 0.179 12 0 "[ . 1 . 2]"
1 50 LEU 0.191 0.043 17 0 "[ . 1 . 2]"
1 51 LYS 0.477 0.064 4 0 "[ . 1 . 2]"
1 52 ARG 0.544 0.110 12 0 "[ . 1 . 2]"
1 53 THR 0.274 0.097 6 0 "[ . 1 . 2]"
1 54 THR 0.259 0.185 6 0 "[ . 1 . 2]"
1 55 GLY 0.145 0.097 6 0 "[ . 1 . 2]"
1 56 GLN 0.272 0.185 6 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 2 SER HA 1 2 SER QB . . 2.580 2.232 2.158 2.369 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 5 ARG H . . 4.600 3.754 3.458 4.099 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 5 ARG QB . . 4.500 3.574 2.738 4.123 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 6 LEU H . . 4.600 4.507 4.103 4.609 0.009 7 0 "[ . 1 . 2]" 1
5 1 2 SER HA 1 6 LEU QB . . 6.270 5.031 4.632 5.424 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 6 LEU QD . . 7.370 5.373 3.864 6.138 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER QB 1 3 MET HA . . 4.500 4.207 3.739 4.480 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER QB 1 5 ARG QB . . 7.210 3.365 1.905 4.918 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER QB 1 6 LEU QD . . 7.060 4.016 2.832 4.852 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET HA 1 4 GLU QB . . 6.270 5.414 5.168 5.605 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET HA 1 5 ARG H . . 4.600 4.512 4.337 4.632 0.032 7 0 "[ . 1 . 2]" 1
12 1 3 MET HA 1 6 LEU H . . 4.600 3.529 3.315 3.752 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET HA 1 6 LEU HA . . 5.600 5.416 5.051 5.603 0.003 13 0 "[ . 1 . 2]" 1
14 1 3 MET HA 1 6 LEU QB . . 2.780 2.605 2.298 2.781 0.001 5 0 "[ . 1 . 2]" 1
15 1 3 MET HA 1 6 LEU MD1 . . 7.520 4.148 2.677 5.414 . 0 0 "[ . 1 . 2]" 1
16 1 3 MET HA 1 6 LEU QD . . 6.210 3.166 2.665 3.432 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HA 1 6 LEU MD2 . . 7.520 3.714 2.886 5.163 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HA 1 7 ARG H . . 5.600 3.927 3.606 4.095 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HA 1 7 ARG QB . . 7.380 4.661 4.078 5.087 . 0 0 "[ . 1 . 2]" 1
20 1 3 MET QB 1 4 GLU HA . . 5.290 3.895 3.617 4.438 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET QB 1 6 LEU QD . . 6.570 4.463 4.001 4.935 . 0 0 "[ . 1 . 2]" 1
22 1 3 MET HB2 1 4 GLU H . . 5.600 3.267 2.285 3.897 . 0 0 "[ . 1 . 2]" 1
23 1 3 MET HB3 1 4 GLU H . . 5.600 2.913 1.937 3.948 . 0 0 "[ . 1 . 2]" 1
24 1 3 MET ME 1 6 LEU QD . . 8.330 5.034 2.725 6.728 . 0 0 "[ . 1 . 2]" 1
25 1 3 MET QG 1 6 LEU QB . . 6.040 4.184 3.189 5.300 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU H 1 5 ARG H . . 4.600 2.812 2.664 2.905 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 4 GLU QB . . 2.580 2.279 2.172 2.416 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU HA 1 4 GLU QG . . 3.270 2.857 2.249 3.335 0.065 6 0 "[ . 1 . 2]" 1
29 1 4 GLU HA 1 7 ARG H . . 4.600 3.771 3.577 3.964 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLU HB2 1 5 ARG H . . 4.600 3.482 2.339 3.815 . 0 0 "[ . 1 . 2]" 1
31 1 4 GLU HB3 1 5 ARG H . . 4.600 3.305 2.333 4.024 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU QG 1 5 ARG H . . 5.440 2.839 1.926 3.899 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU QG 1 5 ARG QG . . 6.040 4.263 2.210 5.851 . 0 0 "[ . 1 . 2]" 1
34 1 5 ARG H 1 5 ARG QB . . 3.260 2.367 2.224 2.539 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG H 1 5 ARG QD . . 5.290 3.929 3.125 4.617 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG H 1 5 ARG QG . . 4.500 2.991 1.975 4.058 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG H 1 6 LEU H . . 4.600 2.691 2.534 2.926 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG H 1 7 ARG H . . 5.600 4.324 3.961 4.703 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG H 1 8 ASP H . . 5.600 4.720 4.606 4.834 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG H 1 8 ASP QB . . 6.270 4.793 4.310 5.416 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HA 1 5 ARG QB . . 2.580 2.383 2.340 2.418 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HA 1 5 ARG QD . . 3.320 2.468 1.989 3.334 0.014 5 0 "[ . 1 . 2]" 1
43 1 5 ARG HA 1 7 ARG H . . 5.600 4.656 4.195 4.960 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG HA 1 7 ARG QB . . 6.270 5.328 4.785 6.204 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG HA 1 8 ASP H . . 4.600 3.613 3.442 3.720 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG HA 1 8 ASP QB . . 3.360 2.630 2.221 3.130 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG HA 1 9 VAL H . . 4.600 3.615 3.318 3.923 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG HA 1 9 VAL HB . . 5.600 5.102 4.792 5.321 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG QB 1 6 LEU H . . 3.360 2.494 2.160 2.846 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG QB 1 8 ASP QB . . 6.040 4.412 4.030 4.936 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG QB 1 9 VAL QG . . 6.270 3.255 2.694 3.872 . 0 0 "[ . 1 . 2]" 1
52 1 5 ARG QD 1 6 LEU H . . 6.270 4.879 3.579 5.295 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG QD 1 8 ASP H . . 6.270 5.571 5.147 6.175 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG QD 1 8 ASP QB . . 6.040 4.032 3.398 4.546 . 0 0 "[ . 1 . 2]" 1
55 1 5 ARG QD 1 9 VAL H . . 6.270 4.863 3.830 5.544 . 0 0 "[ . 1 . 2]" 1
56 1 5 ARG QD 1 9 VAL HB . . 6.270 5.509 3.233 6.214 . 0 0 "[ . 1 . 2]" 1
57 1 5 ARG QD 1 9 VAL QG . . 5.980 3.203 1.873 3.847 . 0 0 "[ . 1 . 2]" 1
58 1 5 ARG QG 1 6 LEU H . . 6.270 3.926 3.535 4.265 . 0 0 "[ . 1 . 2]" 1
59 1 5 ARG QG 1 6 LEU HA . . 6.270 4.991 3.805 5.764 . 0 0 "[ . 1 . 2]" 1
60 1 5 ARG QG 1 8 ASP QB . . 6.040 4.563 3.485 5.438 . 0 0 "[ . 1 . 2]" 1
61 1 5 ARG QG 1 9 VAL H . . 6.270 5.008 3.462 6.156 . 0 0 "[ . 1 . 2]" 1
62 1 5 ARG QG 1 9 VAL QG . . 7.060 3.420 1.850 4.643 . 0 0 "[ . 1 . 2]" 1
63 1 5 ARG HG2 1 6 LEU H . . 6.500 4.426 4.081 4.779 . 0 0 "[ . 1 . 2]" 1
64 1 5 ARG HG3 1 6 LEU H . . 6.500 4.470 3.739 5.005 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU H 1 6 LEU HB2 . . 3.400 2.411 2.044 2.764 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU H 1 6 LEU QB . . 3.260 2.157 2.023 2.232 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU H 1 6 LEU HB3 . . 3.400 2.730 2.279 3.401 0.001 17 0 "[ . 1 . 2]" 1
68 1 6 LEU H 1 7 ARG H . . 4.600 2.784 2.675 2.885 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU H 1 8 ASP H . . 5.600 4.151 3.826 4.576 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU H 1 8 ASP QB . . 7.380 4.940 4.432 5.550 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU H 1 9 VAL H . . 5.600 4.722 4.591 4.801 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU H 1 10 ARG H . . 5.600 5.620 5.603 5.636 0.036 15 0 "[ . 1 . 2]" 1
73 1 6 LEU HA 1 6 LEU HG . . 3.400 2.719 2.230 3.373 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU HA 1 9 VAL H . . 4.600 3.837 3.633 3.980 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU HA 1 9 VAL HB . . 3.400 3.026 2.596 3.403 0.003 8 0 "[ . 1 . 2]" 1
76 1 6 LEU HA 1 9 VAL QG . . 5.550 3.419 3.012 3.774 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU HA 1 10 ARG H . . 4.600 3.520 3.297 3.777 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU HA 1 10 ARG HA . . 6.500 5.654 5.548 5.800 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU QB 1 9 VAL HB . . 6.270 5.007 4.618 5.384 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU HB2 1 7 ARG H . . 4.600 3.531 2.737 4.051 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU HB3 1 7 ARG H . . 4.600 2.554 2.100 3.192 . 0 0 "[ . 1 . 2]" 1
82 1 6 LEU QD 1 7 ARG H . . 6.510 3.468 2.252 4.167 . 0 0 "[ . 1 . 2]" 1
83 1 6 LEU QD 1 7 ARG HA . . 7.370 3.860 2.610 4.981 . 0 0 "[ . 1 . 2]" 1
84 1 6 LEU QD 1 7 ARG QB . . 7.060 4.085 2.663 5.296 . 0 0 "[ . 1 . 2]" 1
85 1 6 LEU QD 1 7 ARG QG . . 8.200 4.980 2.344 6.057 . 0 0 "[ . 1 . 2]" 1
86 1 6 LEU QD 1 10 ARG QB . . 6.570 3.147 2.045 4.302 . 0 0 "[ . 1 . 2]" 1
87 1 6 LEU QD 1 10 ARG QG . . 8.200 4.322 3.469 5.615 . 0 0 "[ . 1 . 2]" 1
88 1 7 ARG H 1 7 ARG QB . . 3.260 2.266 2.222 2.431 . 0 0 "[ . 1 . 2]" 1
89 1 7 ARG H 1 7 ARG QD . . 5.440 4.243 4.028 4.509 . 0 0 "[ . 1 . 2]" 1
90 1 7 ARG H 1 7 ARG QG . . 4.500 3.764 2.418 4.048 . 0 0 "[ . 1 . 2]" 1
91 1 7 ARG H 1 8 ASP QB . . 5.440 4.585 4.389 4.766 . 0 0 "[ . 1 . 2]" 1
92 1 7 ARG H 1 9 VAL H . . 4.600 4.401 4.041 4.603 0.003 10 0 "[ . 1 . 2]" 1
93 1 7 ARG HA 1 7 ARG QB . . 2.580 2.372 2.175 2.416 . 0 0 "[ . 1 . 2]" 1
94 1 7 ARG HA 1 7 ARG HD2 . . 4.600 3.647 2.300 4.505 . 0 0 "[ . 1 . 2]" 1
95 1 7 ARG HA 1 7 ARG HD3 . . 4.600 3.608 2.293 4.469 . 0 0 "[ . 1 . 2]" 1
96 1 7 ARG HA 1 10 ARG H . . 4.600 3.946 3.771 4.119 . 0 0 "[ . 1 . 2]" 1
97 1 7 ARG HA 1 11 GLU H . . 4.600 3.698 3.487 3.942 . 0 0 "[ . 1 . 2]" 1
98 1 7 ARG QB 1 7 ARG QG . . 2.340 2.028 2.001 2.056 . 0 0 "[ . 1 . 2]" 1
99 1 7 ARG QB 1 9 VAL H . . 6.270 4.944 4.572 5.507 . 0 0 "[ . 1 . 2]" 1
100 1 7 ARG QB 1 11 GLU H . . 6.270 5.042 4.657 5.261 . 0 0 "[ . 1 . 2]" 1
101 1 7 ARG QD 1 8 ASP H . . 6.270 4.611 2.888 5.385 . 0 0 "[ . 1 . 2]" 1
102 1 7 ARG QD 1 8 ASP HA . . 6.270 5.075 2.377 6.112 . 0 0 "[ . 1 . 2]" 1
103 1 7 ARG QD 1 10 ARG QB . . 5.590 4.973 3.410 5.538 . 0 0 "[ . 1 . 2]" 1
104 1 7 ARG QD 1 11 GLU HA . . 7.380 6.195 4.796 7.146 . 0 0 "[ . 1 . 2]" 1
105 1 7 ARG QD 1 11 GLU QG . . 7.090 5.334 3.619 6.524 . 0 0 "[ . 1 . 2]" 1
106 1 7 ARG QG 1 8 ASP H . . 4.500 3.715 1.981 4.226 . 0 0 "[ . 1 . 2]" 1
107 1 7 ARG QG 1 10 ARG H . . 6.270 5.532 5.309 5.821 . 0 0 "[ . 1 . 2]" 1
108 1 7 ARG QG 1 10 ARG QB . . 6.040 4.448 3.954 5.629 . 0 0 "[ . 1 . 2]" 1
109 1 7 ARG QG 1 11 GLU H . . 6.270 4.427 3.927 5.852 . 0 0 "[ . 1 . 2]" 1
110 1 7 ARG QG 1 11 GLU HA . . 7.380 5.638 4.949 7.381 0.001 2 0 "[ . 1 . 2]" 1
111 1 7 ARG QG 1 11 GLU QB . . 7.090 3.447 2.887 5.476 . 0 0 "[ . 1 . 2]" 1
112 1 7 ARG QG 1 11 GLU QG . . 7.090 4.885 3.956 6.958 . 0 0 "[ . 1 . 2]" 1
113 1 8 ASP H 1 8 ASP QB . . 3.260 2.360 2.227 2.510 . 0 0 "[ . 1 . 2]" 1
114 1 8 ASP H 1 9 VAL H . . 3.400 2.774 2.678 2.889 . 0 0 "[ . 1 . 2]" 1
115 1 8 ASP H 1 9 VAL HA . . 5.600 5.348 5.288 5.423 . 0 0 "[ . 1 . 2]" 1
116 1 8 ASP H 1 9 VAL HB . . 5.600 4.924 4.789 4.976 . 0 0 "[ . 1 . 2]" 1
117 1 8 ASP H 1 9 VAL QG . . 7.370 4.225 4.136 4.315 . 0 0 "[ . 1 . 2]" 1
118 1 8 ASP H 1 10 ARG H . . 4.600 4.281 3.969 4.616 0.016 13 0 "[ . 1 . 2]" 1
119 1 8 ASP H 1 11 GLU QB . . 5.440 4.693 4.458 4.828 . 0 0 "[ . 1 . 2]" 1
120 1 8 ASP HA 1 8 ASP QB . . 2.580 2.360 2.298 2.400 . 0 0 "[ . 1 . 2]" 1
121 1 8 ASP HA 1 9 VAL HA . . 5.600 4.777 4.752 4.808 . 0 0 "[ . 1 . 2]" 1
122 1 8 ASP HA 1 9 VAL QG . . 7.370 4.728 4.697 4.774 . 0 0 "[ . 1 . 2]" 1
123 1 8 ASP HA 1 10 ARG H . . 5.600 4.883 4.607 5.128 . 0 0 "[ . 1 . 2]" 1
124 1 8 ASP HA 1 11 GLU H . . 4.600 3.854 3.589 3.976 . 0 0 "[ . 1 . 2]" 1
125 1 8 ASP HA 1 11 GLU HB2 . . 4.600 4.003 3.536 4.327 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASP HA 1 11 GLU HB3 . . 4.600 3.021 2.624 3.359 . 0 0 "[ . 1 . 2]" 1
127 1 8 ASP HA 1 12 ARG H . . 4.600 3.943 3.809 4.108 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASP HA 1 12 ARG QD . . 7.380 5.368 3.679 6.618 . 0 0 "[ . 1 . 2]" 1
129 1 8 ASP QB 1 9 VAL H . . 3.360 2.321 2.163 2.513 . 0 0 "[ . 1 . 2]" 1
130 1 8 ASP QB 1 9 VAL HA . . 4.500 3.975 3.790 4.271 . 0 0 "[ . 1 . 2]" 1
131 1 8 ASP QB 1 9 VAL HB . . 6.270 4.581 4.459 4.712 . 0 0 "[ . 1 . 2]" 1
132 1 8 ASP QB 1 9 VAL QG . . 6.430 2.985 2.868 3.128 . 0 0 "[ . 1 . 2]" 1
133 1 8 ASP QB 1 10 ARG H . . 5.440 4.754 4.547 5.034 . 0 0 "[ . 1 . 2]" 1
134 1 8 ASP QB 1 11 GLU H . . 6.270 5.084 4.722 5.249 . 0 0 "[ . 1 . 2]" 1
135 1 8 ASP QB 1 43 LEU QD . . 8.210 4.915 3.747 5.469 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL H 1 9 VAL HB . . 3.400 2.540 2.473 2.590 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL H 1 11 GLU H . . 5.600 4.214 3.863 4.376 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL H 1 12 ARG H . . 5.600 4.608 4.472 4.926 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL HA 1 10 ARG QG . . 7.380 6.446 5.398 6.704 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL HA 1 12 ARG H . . 4.600 3.520 3.426 3.724 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL HA 1 12 ARG HA . . 6.500 5.372 5.277 5.822 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL HA 1 12 ARG QB . . 4.500 2.547 2.338 4.010 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL HA 1 13 LEU HA . . 6.500 6.071 5.809 6.458 . 0 0 "[ . 1 . 2]" 1
144 1 9 VAL HA 1 13 LEU QD . . 7.370 5.140 4.256 5.479 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL HA 1 43 LEU QB . . 6.270 4.710 3.708 5.416 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL HA 1 43 LEU QD . . 6.510 3.074 1.932 3.646 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL HB 1 10 ARG H . . 3.400 2.347 2.149 2.598 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL HB 1 43 LEU QB . . 7.380 6.077 5.347 6.914 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL HB 1 43 LEU QD . . 7.370 4.025 3.412 4.685 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL QG 1 10 ARG H . . 6.510 3.041 2.860 3.137 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL QG 1 10 ARG HA . . 6.510 3.359 3.182 3.459 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL QG 1 11 GLU H . . 7.370 4.608 4.321 4.768 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL QG 1 12 ARG QB . . 7.060 3.472 3.323 4.507 . 0 0 "[ . 1 . 2]" 1
154 1 9 VAL QG 1 13 LEU QB . . 7.060 3.233 3.040 3.455 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL QG 1 13 LEU QD . . 8.120 3.027 2.278 3.351 . 0 0 "[ . 1 . 2]" 1
156 1 9 VAL QG 1 43 LEU H . . 7.370 5.421 4.993 5.979 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL QG 1 43 LEU HA . . 6.520 4.534 4.061 5.089 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL QG 1 43 LEU QB . . 6.170 3.156 2.632 3.825 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL QG 1 43 LEU QD . . 7.320 1.835 1.536 2.227 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL QG 1 46 GLU QG . . 9.380 5.860 5.060 6.570 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL MG1 1 13 LEU HG . . 7.520 4.120 3.803 4.501 . 0 0 "[ . 1 . 2]" 1
162 1 10 ARG H 1 10 ARG HB2 . . 3.400 2.547 2.366 3.530 0.130 13 0 "[ . 1 . 2]" 1
163 1 10 ARG H 1 10 ARG HB3 . . 3.400 2.539 2.247 2.689 . 0 0 "[ . 1 . 2]" 1
164 1 10 ARG H 1 11 GLU H . . 3.400 2.824 2.661 2.880 . 0 0 "[ . 1 . 2]" 1
165 1 10 ARG H 1 11 GLU QG . . 7.380 6.435 6.287 6.523 . 0 0 "[ . 1 . 2]" 1
166 1 10 ARG H 1 12 ARG H . . 5.600 4.212 4.069 4.617 . 0 0 "[ . 1 . 2]" 1
167 1 10 ARG H 1 12 ARG QD . . 8.630 6.890 5.265 7.690 . 0 0 "[ . 1 . 2]" 1
168 1 10 ARG H 1 13 LEU QB . . 5.440 4.822 4.588 4.992 . 0 0 "[ . 1 . 2]" 1
169 1 10 ARG H 1 13 LEU QD . . 7.370 5.294 4.757 5.560 . 0 0 "[ . 1 . 2]" 1
170 1 10 ARG HA 1 11 GLU HA . . 4.600 4.760 4.748 4.770 0.170 10 0 "[ . 1 . 2]" 1
171 1 10 ARG HA 1 12 ARG H . . 5.600 4.572 4.447 4.924 . 0 0 "[ . 1 . 2]" 1
172 1 10 ARG HA 1 13 LEU H . . 4.600 3.724 3.598 3.803 . 0 0 "[ . 1 . 2]" 1
173 1 10 ARG HA 1 13 LEU HA . . 6.500 5.768 5.482 5.861 . 0 0 "[ . 1 . 2]" 1
174 1 10 ARG HA 1 13 LEU QB . . 3.320 3.053 2.721 3.153 . 0 0 "[ . 1 . 2]" 1
175 1 10 ARG HA 1 13 LEU QD . . 6.510 3.668 3.129 3.878 . 0 0 "[ . 1 . 2]" 1
176 1 10 ARG HA 1 13 LEU HG . . 5.600 5.566 5.134 5.627 0.027 9 0 "[ . 1 . 2]" 1
177 1 10 ARG HA 1 14 GLN H . . 4.600 3.974 3.850 4.058 . 0 0 "[ . 1 . 2]" 1
178 1 10 ARG HA 1 14 GLN QG . . 6.270 3.802 3.627 4.274 . 0 0 "[ . 1 . 2]" 1
179 1 10 ARG QB 1 11 GLU HA . . 6.270 4.165 4.018 4.573 . 0 0 "[ . 1 . 2]" 1
180 1 10 ARG QB 1 13 LEU QB . . 6.040 4.759 4.291 4.855 . 0 0 "[ . 1 . 2]" 1
181 1 10 ARG QG 1 14 GLN HA . . 6.480 5.557 5.252 6.492 0.012 13 0 "[ . 1 . 2]" 1
182 1 10 ARG QG 1 14 GLN QE . . 7.080 4.099 2.841 5.145 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLU H 1 11 GLU HB2 . . 3.400 2.497 2.381 2.694 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLU H 1 11 GLU QB . . 3.260 2.243 2.227 2.255 . 0 0 "[ . 1 . 2]" 1
185 1 11 GLU H 1 11 GLU HB3 . . 3.400 2.565 2.384 2.679 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLU H 1 11 GLU QG . . 4.400 3.981 3.942 4.057 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLU H 1 12 ARG H . . 3.400 2.643 2.608 2.760 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLU H 1 12 ARG QD . . 7.380 6.264 5.037 6.822 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLU H 1 13 LEU H . . 5.600 4.220 3.912 4.359 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLU H 1 13 LEU QB . . 7.380 5.034 4.618 5.177 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLU H 1 14 GLN H . . 5.600 4.836 4.740 5.032 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLU HA 1 11 GLU QB . . 2.580 2.375 2.310 2.416 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLU HA 1 12 ARG QB . . 6.270 5.305 5.191 5.540 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLU HA 1 14 GLN H . . 4.600 3.682 3.602 3.882 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLU HB2 1 12 ARG H . . 4.600 3.822 3.737 3.964 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLU HB3 1 12 ARG H . . 4.600 2.568 2.282 2.679 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLU QG 1 15 ALA MB . . 6.380 3.220 2.874 3.505 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLU HG2 1 12 ARG H . . 6.500 4.131 3.186 4.871 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLU HG3 1 12 ARG H . . 6.500 4.592 3.834 5.099 . 0 0 "[ . 1 . 2]" 1
200 1 12 ARG H 1 12 ARG QB . . 3.260 2.228 2.061 2.527 . 0 0 "[ . 1 . 2]" 1
201 1 12 ARG H 1 13 LEU H . . 3.400 2.737 2.620 2.775 . 0 0 "[ . 1 . 2]" 1
202 1 12 ARG H 1 13 LEU HB2 . . 4.600 4.599 4.456 4.626 0.026 11 0 "[ . 1 . 2]" 1
203 1 12 ARG H 1 13 LEU HB3 . . 5.600 5.605 5.454 5.634 0.034 20 0 "[ . 1 . 2]" 1
204 1 12 ARG H 1 13 LEU QD . . 7.370 5.577 5.197 5.639 . 0 0 "[ . 1 . 2]" 1
205 1 12 ARG H 1 13 LEU HG . . 6.500 6.514 6.456 6.536 0.036 11 0 "[ . 1 . 2]" 1
206 1 12 ARG H 1 14 GLN H . . 5.600 4.376 4.242 4.624 . 0 0 "[ . 1 . 2]" 1
207 1 12 ARG H 1 43 LEU QD . . 7.370 5.282 4.447 5.793 . 0 0 "[ . 1 . 2]" 1
208 1 12 ARG HA 1 15 ALA MB . . 5.620 3.230 2.794 3.403 . 0 0 "[ . 1 . 2]" 1
209 1 12 ARG HA 1 43 LEU QD . . 7.370 5.697 5.220 6.109 . 0 0 "[ . 1 . 2]" 1
210 1 12 ARG QB 1 13 LEU HG . . 6.270 4.852 4.657 5.581 . 0 0 "[ . 1 . 2]" 1
211 1 12 ARG QB 1 14 GLN H . . 5.440 4.873 4.711 5.455 0.015 10 0 "[ . 1 . 2]" 1
212 1 12 ARG QB 1 16 TRP H . . 5.440 4.878 4.685 5.220 . 0 0 "[ . 1 . 2]" 1
213 1 12 ARG QB 1 16 TRP QB . . 6.040 4.107 3.913 4.662 . 0 0 "[ . 1 . 2]" 1
214 1 12 ARG QB 1 40 THR MG . . 7.210 4.108 2.656 5.107 . 0 0 "[ . 1 . 2]" 1
215 1 12 ARG QB 1 43 LEU QD . . 5.800 3.342 2.830 3.854 . 0 0 "[ . 1 . 2]" 1
216 1 12 ARG QD 1 14 GLN H . . 7.380 6.828 6.357 7.330 . 0 0 "[ . 1 . 2]" 1
217 1 12 ARG QD 1 43 LEU QD . . 8.200 3.583 1.874 4.715 . 0 0 "[ . 1 . 2]" 1
218 1 12 ARG QD 1 44 TYR H . . 7.380 6.592 5.247 7.223 . 0 0 "[ . 1 . 2]" 1
219 1 12 ARG QG 1 13 LEU HA . . 7.380 5.158 3.377 5.843 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU H 1 13 LEU HB2 . . 3.400 2.075 2.063 2.123 . 0 0 "[ . 1 . 2]" 1
221 1 13 LEU H 1 13 LEU QB . . 3.260 2.045 2.036 2.083 . 0 0 "[ . 1 . 2]" 1
222 1 13 LEU H 1 13 LEU HB3 . . 3.400 3.102 3.017 3.138 . 0 0 "[ . 1 . 2]" 1
223 1 13 LEU H 1 13 LEU HG . . 4.600 3.887 3.837 4.025 . 0 0 "[ . 1 . 2]" 1
224 1 13 LEU H 1 14 GLN QG . . 6.270 4.339 3.591 4.486 . 0 0 "[ . 1 . 2]" 1
225 1 13 LEU H 1 43 LEU QD . . 6.510 4.741 4.163 5.330 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU H 1 47 TYR QB . . 8.630 6.465 6.106 6.995 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU HA 1 16 TRP H . . 4.600 3.673 3.583 3.758 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU HA 1 16 TRP HB2 . . 4.600 3.397 3.285 3.582 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU HA 1 16 TRP HB3 . . 4.600 2.430 2.331 2.610 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU HA 1 17 GLU H . . 4.600 3.778 3.709 3.952 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU HA 1 43 LEU QB . . 6.270 4.795 4.379 5.039 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU HA 1 43 LEU MD1 . . 7.520 5.570 5.006 5.910 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU HA 1 43 LEU MD2 . . 7.520 6.034 5.423 6.806 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU QB 1 14 GLN QB . . 6.040 4.286 3.829 4.395 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU QB 1 14 GLN QG . . 4.390 3.235 3.092 3.772 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU QB 1 16 TRP HD1 . . 6.270 5.087 4.938 5.423 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU QB 1 17 GLU QB . . 7.210 5.191 5.023 5.495 . 0 0 "[ . 1 . 2]" 1
238 1 13 LEU QB 1 43 LEU QD . . 7.060 4.444 3.731 4.849 . 0 0 "[ . 1 . 2]" 1
239 1 13 LEU QB 1 47 TYR H . . 7.380 6.390 6.298 6.516 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU QB 1 47 TYR QE . . 8.230 5.137 4.892 5.596 . 0 0 "[ . 1 . 2]" 1
241 1 13 LEU HB2 1 14 GLN H . . 4.600 3.172 2.994 3.223 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU HB2 1 47 TYR QB . . 7.380 4.967 4.687 5.329 . 0 0 "[ . 1 . 2]" 1
243 1 13 LEU HB3 1 14 GLN H . . 4.600 2.467 2.150 2.607 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU HB3 1 47 TYR QB . . 7.380 4.842 4.719 5.051 . 0 0 "[ . 1 . 2]" 1
245 1 13 LEU QD 1 14 GLN H . . 7.370 3.646 3.393 3.729 . 0 0 "[ . 1 . 2]" 1
246 1 13 LEU QD 1 16 TRP QB . . 6.170 3.189 3.076 3.952 . 0 0 "[ . 1 . 2]" 1
247 1 13 LEU QD 1 16 TRP HD1 . . 7.370 2.766 2.467 3.722 . 0 0 "[ . 1 . 2]" 1
248 1 13 LEU QD 1 17 GLU H . . 7.370 3.284 3.149 4.193 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU QD 1 17 GLU QB . . 7.060 3.056 2.881 3.758 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU QD 1 43 LEU HA . . 7.370 4.601 3.762 5.281 . 0 0 "[ . 1 . 2]" 1
251 1 13 LEU QD 1 43 LEU QB . . 5.650 3.714 2.933 4.302 . 0 0 "[ . 1 . 2]" 1
252 1 13 LEU QD 1 43 LEU QD . . 7.420 3.805 2.962 4.403 . 0 0 "[ . 1 . 2]" 1
253 1 13 LEU QD 1 44 TYR H . . 7.370 5.249 4.823 5.536 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU QD 1 44 TYR QE . . 8.230 4.662 3.836 5.727 . 0 0 "[ . 1 . 2]" 1
255 1 13 LEU QD 1 46 GLU H . . 7.370 5.370 5.250 5.676 . 0 0 "[ . 1 . 2]" 1
256 1 13 LEU QD 1 47 TYR H . . 7.370 3.609 3.428 3.900 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU QD 1 47 TYR HA . . 5.550 3.751 3.546 4.021 . 0 0 "[ . 1 . 2]" 1
258 1 13 LEU QD 1 47 TYR QB . . 7.000 1.830 1.706 2.059 . 0 0 "[ . 1 . 2]" 1
259 1 13 LEU QD 1 47 TYR QE . . 7.590 2.943 2.697 3.310 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU QD 1 48 ARG H . . 7.370 4.433 4.222 4.963 . 0 0 "[ . 1 . 2]" 1
261 1 13 LEU MD1 1 47 TYR QB . . 8.400 2.164 1.941 3.128 . 0 0 "[ . 1 . 2]" 1
262 1 13 LEU MD2 1 47 TYR QB . . 8.400 2.052 1.867 2.503 . 0 0 "[ . 1 . 2]" 1
263 1 13 LEU HG 1 14 GLN H . . 5.600 4.954 4.732 5.028 . 0 0 "[ . 1 . 2]" 1
264 1 13 LEU HG 1 43 LEU QD . . 7.370 4.317 3.386 4.951 . 0 0 "[ . 1 . 2]" 1
265 1 13 LEU HG 1 44 TYR H . . 6.500 5.546 5.172 5.701 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU HG 1 46 GLU H . . 6.500 6.532 6.505 6.557 0.057 9 0 "[ . 1 . 2]" 1
267 1 14 GLN H 1 14 GLN QB . . 3.260 2.472 2.451 2.560 . 0 0 "[ . 1 . 2]" 1
268 1 14 GLN H 1 14 GLN HG2 . . 3.400 2.344 2.164 3.045 . 0 0 "[ . 1 . 2]" 1
269 1 14 GLN H 1 14 GLN QG . . 2.680 2.198 2.018 2.274 . 0 0 "[ . 1 . 2]" 1
270 1 14 GLN H 1 14 GLN HG3 . . 3.400 3.062 2.048 3.379 . 0 0 "[ . 1 . 2]" 1
271 1 14 GLN H 1 15 ALA H . . 3.400 3.034 2.884 3.074 . 0 0 "[ . 1 . 2]" 1
272 1 14 GLN H 1 15 ALA HA . . 5.600 5.534 5.446 5.555 . 0 0 "[ . 1 . 2]" 1
273 1 14 GLN H 1 16 TRP H . . 5.600 4.142 4.055 4.278 . 0 0 "[ . 1 . 2]" 1
274 1 14 GLN H 1 16 TRP QB . . 6.270 4.576 4.460 4.807 . 0 0 "[ . 1 . 2]" 1
275 1 14 GLN H 1 17 GLU QG . . 6.270 4.501 4.278 4.726 . 0 0 "[ . 1 . 2]" 1
276 1 14 GLN HA 1 14 GLN QB . . 2.580 2.366 2.177 2.391 . 0 0 "[ . 1 . 2]" 1
277 1 14 GLN HA 1 14 GLN QG . . 3.270 2.639 2.475 3.366 0.096 15 0 "[ . 1 . 2]" 1
278 1 14 GLN HA 1 16 TRP HD1 . . 6.500 6.488 6.354 6.563 0.063 15 0 "[ . 1 . 2]" 1
279 1 14 GLN HA 1 17 GLU H . . 4.600 4.325 4.124 4.390 . 0 0 "[ . 1 . 2]" 1
280 1 14 GLN HA 1 17 GLU QG . . 5.440 2.657 2.455 2.827 . 0 0 "[ . 1 . 2]" 1
281 1 14 GLN HA 1 47 TYR QD . . 8.630 6.672 6.031 7.219 . 0 0 "[ . 1 . 2]" 1
282 1 14 GLN QB 1 15 ALA MB . . 7.210 3.629 3.500 4.353 . 0 0 "[ . 1 . 2]" 1
283 1 14 GLN QB 1 16 TRP H . . 5.440 4.476 4.330 5.131 . 0 0 "[ . 1 . 2]" 1
284 1 14 GLN QB 1 18 ARG H . . 5.620 4.940 4.872 4.981 . 0 0 "[ . 1 . 2]" 1
285 1 14 GLN HB2 1 15 ALA H . . 4.600 2.280 2.104 3.430 . 0 0 "[ . 1 . 2]" 1
286 1 14 GLN HB3 1 15 ALA H . . 4.600 3.193 3.054 3.888 . 0 0 "[ . 1 . 2]" 1
287 1 14 GLN QE 1 47 TYR QD . . 9.380 7.739 6.156 9.390 0.010 18 0 "[ . 1 . 2]" 1
288 1 14 GLN QG 1 15 ALA H . . 6.270 3.684 1.911 3.925 . 0 0 "[ . 1 . 2]" 1
289 1 14 GLN QG 1 15 ALA MB . . 7.210 4.913 3.370 5.111 . 0 0 "[ . 1 . 2]" 1
290 1 14 GLN QG 1 18 ARG QG . . 6.040 5.163 4.726 5.562 . 0 0 "[ . 1 . 2]" 1
291 1 14 GLN HG2 1 15 ALA H . . 6.500 4.276 3.523 4.406 . 0 0 "[ . 1 . 2]" 1
292 1 14 GLN HG3 1 15 ALA H . . 6.500 4.110 1.920 4.446 . 0 0 "[ . 1 . 2]" 1
293 1 15 ALA H 1 17 GLU H . . 5.600 5.097 4.775 5.160 . 0 0 "[ . 1 . 2]" 1
294 1 15 ALA H 1 17 GLU QG . . 6.270 4.759 4.434 4.995 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA H 1 18 ARG H . . 5.600 4.756 4.636 4.786 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA HA 1 17 GLU H . . 5.600 5.285 5.065 5.324 . 0 0 "[ . 1 . 2]" 1
297 1 15 ALA HA 1 18 ARG H . . 4.600 3.653 3.562 3.690 . 0 0 "[ . 1 . 2]" 1
298 1 15 ALA HA 1 18 ARG QB . . 6.480 2.084 1.978 2.138 . 0 0 "[ . 1 . 2]" 1
299 1 15 ALA HA 1 18 ARG QD . . 7.380 4.623 4.013 4.869 . 0 0 "[ . 1 . 2]" 1
300 1 15 ALA HA 1 18 ARG QG . . 4.500 2.951 2.790 3.060 . 0 0 "[ . 1 . 2]" 1
301 1 15 ALA HA 1 19 ALA H . . 5.600 3.742 3.606 3.906 . 0 0 "[ . 1 . 2]" 1
302 1 15 ALA MB 1 16 TRP H . . 5.620 2.567 2.452 2.682 . 0 0 "[ . 1 . 2]" 1
303 1 15 ALA MB 1 16 TRP HA . . 7.520 3.745 3.660 3.802 . 0 0 "[ . 1 . 2]" 1
304 1 15 ALA MB 1 16 TRP HB2 . . 7.520 4.297 4.216 4.401 . 0 0 "[ . 1 . 2]" 1
305 1 15 ALA MB 1 16 TRP HB3 . . 7.520 4.620 4.534 4.708 . 0 0 "[ . 1 . 2]" 1
306 1 16 TRP H 1 16 TRP HB2 . . 3.400 2.643 2.623 2.664 . 0 0 "[ . 1 . 2]" 1
307 1 16 TRP H 1 16 TRP HB3 . . 3.400 2.426 2.406 2.441 . 0 0 "[ . 1 . 2]" 1
308 1 16 TRP H 1 16 TRP HD1 . . 6.500 4.954 4.925 4.976 . 0 0 "[ . 1 . 2]" 1
309 1 16 TRP H 1 16 TRP HE3 . . 4.600 4.676 4.647 4.716 0.116 19 0 "[ . 1 . 2]" 1
310 1 16 TRP H 1 17 GLU H . . 3.400 3.205 3.077 3.232 . 0 0 "[ . 1 . 2]" 1
311 1 16 TRP H 1 17 GLU QG . . 6.270 4.222 3.974 4.429 . 0 0 "[ . 1 . 2]" 1
312 1 16 TRP H 1 18 ARG H . . 5.600 3.881 3.790 3.953 . 0 0 "[ . 1 . 2]" 1
313 1 16 TRP H 1 43 LEU QB . . 7.530 7.522 7.006 7.599 0.069 12 0 "[ . 1 . 2]" 1
314 1 16 TRP HA 1 18 ARG H . . 5.600 4.264 4.156 4.375 . 0 0 "[ . 1 . 2]" 1
315 1 16 TRP HA 1 19 ALA H . . 4.600 4.302 4.164 4.456 . 0 0 "[ . 1 . 2]" 1
316 1 16 TRP HA 1 19 ALA MB . . 5.620 4.114 3.911 4.356 . 0 0 "[ . 1 . 2]" 1
317 1 16 TRP HA 1 20 PHE H . . 5.600 3.962 3.902 4.101 . 0 0 "[ . 1 . 2]" 1
318 1 16 TRP QB 1 17 GLU QB . . 6.040 3.894 3.765 4.026 . 0 0 "[ . 1 . 2]" 1
319 1 16 TRP QB 1 17 GLU QG . . 6.040 3.808 3.682 4.047 . 0 0 "[ . 1 . 2]" 1
320 1 16 TRP QB 1 19 ALA MB . . 8.260 5.591 5.461 5.740 . 0 0 "[ . 1 . 2]" 1
321 1 16 TRP QB 1 20 PHE QD . . 8.230 5.726 5.499 5.888 . 0 0 "[ . 1 . 2]" 1
322 1 16 TRP QB 1 43 LEU QD . . 8.210 5.561 5.217 5.972 . 0 0 "[ . 1 . 2]" 1
323 1 16 TRP QB 1 47 TYR QB . . 7.090 5.433 4.850 6.320 . 0 0 "[ . 1 . 2]" 1
324 1 16 TRP QB 1 47 TYR QD . . 8.230 5.757 4.983 6.603 . 0 0 "[ . 1 . 2]" 1
325 1 16 TRP QB 1 47 TYR QE . . 8.230 6.522 4.391 7.523 . 0 0 "[ . 1 . 2]" 1
326 1 16 TRP HB2 1 17 GLU H . . 4.600 3.571 3.550 3.677 . 0 0 "[ . 1 . 2]" 1
327 1 16 TRP HB2 1 44 TYR QE . . 6.490 3.209 2.277 6.545 0.055 19 0 "[ . 1 . 2]" 1
328 1 16 TRP HB3 1 17 GLU H . . 4.600 2.064 2.031 2.190 . 0 0 "[ . 1 . 2]" 1
329 1 16 TRP HB3 1 44 TYR QE . . 6.490 3.949 3.285 6.585 0.095 17 0 "[ . 1 . 2]" 1
330 1 16 TRP HD1 1 36 ALA MB . . 8.630 7.441 7.099 7.759 . 0 0 "[ . 1 . 2]" 1
331 1 16 TRP HD1 1 40 THR MG . . 7.520 5.850 5.561 6.161 . 0 0 "[ . 1 . 2]" 1
332 1 16 TRP HE3 1 17 GLU H . . 5.600 5.044 4.936 5.132 . 0 0 "[ . 1 . 2]" 1
333 1 16 TRP HE3 1 17 GLU HA . . 5.600 5.611 5.436 5.708 0.108 16 0 "[ . 1 . 2]" 1
334 1 16 TRP HE3 1 17 GLU QB . . 7.520 6.496 6.363 6.575 . 0 0 "[ . 1 . 2]" 1
335 1 16 TRP HE3 1 17 GLU QG . . 7.520 6.774 6.684 6.937 . 0 0 "[ . 1 . 2]" 1
336 1 16 TRP HE3 1 20 PHE QB . . 6.270 3.671 3.473 3.986 . 0 0 "[ . 1 . 2]" 1
337 1 16 TRP HE3 1 20 PHE QE . . 8.630 7.159 6.699 7.613 . 0 0 "[ . 1 . 2]" 1
338 1 16 TRP HE3 1 36 ALA MB . . 7.520 5.712 5.171 6.070 . 0 0 "[ . 1 . 2]" 1
339 1 16 TRP HH2 1 20 PHE HA . . 6.500 5.234 5.001 5.779 . 0 0 "[ . 1 . 2]" 1
340 1 16 TRP HH2 1 20 PHE QB . . 6.270 4.110 3.972 4.364 . 0 0 "[ . 1 . 2]" 1
341 1 16 TRP HH2 1 24 ARG QD . . 6.270 5.721 4.240 6.288 0.018 12 0 "[ . 1 . 2]" 1
342 1 16 TRP HH2 1 28 PRO QB . . 5.440 3.990 3.062 4.538 . 0 0 "[ . 1 . 2]" 1
343 1 16 TRP HH2 1 28 PRO QG . . 6.280 5.339 3.373 6.307 0.027 12 0 "[ . 1 . 2]" 1
344 1 16 TRP HH2 1 32 ASP HB2 . . 6.500 4.221 3.532 5.579 . 0 0 "[ . 1 . 2]" 1
345 1 16 TRP HH2 1 32 ASP HB3 . . 6.500 2.737 1.999 3.988 . 0 0 "[ . 1 . 2]" 1
346 1 16 TRP HH2 1 33 VAL H . . 6.500 5.288 4.843 6.120 . 0 0 "[ . 1 . 2]" 1
347 1 16 TRP HH2 1 33 VAL HA . . 4.600 4.664 4.645 4.730 0.130 20 0 "[ . 1 . 2]" 1
348 1 16 TRP HH2 1 33 VAL QG . . 7.370 4.366 4.134 5.084 . 0 0 "[ . 1 . 2]" 1
349 1 16 TRP HH2 1 36 ALA MB . . 6.620 5.160 4.865 5.683 . 0 0 "[ . 1 . 2]" 1
350 1 16 TRP HZ2 1 20 PHE QB . . 6.270 4.112 3.902 4.343 . 0 0 "[ . 1 . 2]" 1
351 1 16 TRP HZ2 1 20 PHE QE . . 8.630 4.203 3.511 5.060 . 0 0 "[ . 1 . 2]" 1
352 1 16 TRP HZ2 1 28 PRO HA . . 6.500 5.198 4.416 6.217 . 0 0 "[ . 1 . 2]" 1
353 1 16 TRP HZ2 1 28 PRO QB . . 6.270 3.161 2.797 3.778 . 0 0 "[ . 1 . 2]" 1
354 1 16 TRP HZ2 1 28 PRO QD . . 6.280 4.871 3.625 5.527 . 0 0 "[ . 1 . 2]" 1
355 1 16 TRP HZ2 1 44 TYR HA . . 6.500 5.504 5.028 6.523 0.023 17 0 "[ . 1 . 2]" 1
356 1 16 TRP HZ2 1 48 ARG QB . . 6.270 4.961 4.485 5.701 . 0 0 "[ . 1 . 2]" 1
357 1 16 TRP HZ2 1 52 ARG QG . . 8.630 8.065 7.230 8.663 0.033 10 0 "[ . 1 . 2]" 1
358 1 16 TRP HZ3 1 20 PHE QB . . 6.270 3.893 3.645 4.189 . 0 0 "[ . 1 . 2]" 1
359 1 16 TRP HZ3 1 28 PRO QB . . 7.520 6.059 5.112 6.561 . 0 0 "[ . 1 . 2]" 1
360 1 16 TRP HZ3 1 28 PRO QG . . 8.630 7.383 5.550 8.375 . 0 0 "[ . 1 . 2]" 1
361 1 16 TRP HZ3 1 36 ALA MB . . 7.520 5.152 4.835 5.434 . 0 0 "[ . 1 . 2]" 1
362 1 17 GLU H 1 17 GLU QB . . 3.260 2.397 2.301 2.533 . 0 0 "[ . 1 . 2]" 1
363 1 17 GLU H 1 17 GLU HG2 . . 3.400 2.791 2.172 3.406 0.006 14 0 "[ . 1 . 2]" 1
364 1 17 GLU H 1 17 GLU HG3 . . 3.400 2.949 2.015 3.426 0.026 8 0 "[ . 1 . 2]" 1
365 1 17 GLU H 1 18 ARG H . . 4.600 2.762 2.689 2.790 . 0 0 "[ . 1 . 2]" 1
366 1 17 GLU H 1 18 ARG QG . . 6.270 5.221 4.945 5.579 . 0 0 "[ . 1 . 2]" 1
367 1 17 GLU H 1 19 ALA H . . 5.600 5.196 5.041 5.250 . 0 0 "[ . 1 . 2]" 1
368 1 17 GLU H 1 19 ALA MB . . 7.520 5.970 5.816 6.049 . 0 0 "[ . 1 . 2]" 1
369 1 17 GLU H 1 20 PHE H . . 5.600 4.763 4.707 4.824 . 0 0 "[ . 1 . 2]" 1
370 1 17 GLU H 1 20 PHE HB2 . . 5.600 4.843 4.696 5.050 . 0 0 "[ . 1 . 2]" 1
371 1 17 GLU H 1 20 PHE HB3 . . 5.600 4.119 3.989 4.267 . 0 0 "[ . 1 . 2]" 1
372 1 17 GLU HA 1 18 ARG HA . . 5.600 4.862 4.834 4.879 . 0 0 "[ . 1 . 2]" 1
373 1 17 GLU HA 1 19 ALA H . . 5.600 5.202 4.972 5.291 . 0 0 "[ . 1 . 2]" 1
374 1 17 GLU HA 1 19 ALA MB . . 7.380 5.786 5.654 5.850 . 0 0 "[ . 1 . 2]" 1
375 1 17 GLU HA 1 20 PHE H . . 4.600 3.681 3.571 3.773 . 0 0 "[ . 1 . 2]" 1
376 1 17 GLU HA 1 20 PHE HA . . 5.600 4.978 4.926 5.128 . 0 0 "[ . 1 . 2]" 1
377 1 17 GLU HA 1 20 PHE QB . . 3.320 1.970 1.926 2.104 . 0 0 "[ . 1 . 2]" 1
378 1 17 GLU HA 1 21 ARG H . . 4.600 3.199 2.823 3.330 . 0 0 "[ . 1 . 2]" 1
379 1 17 GLU HA 1 21 ARG HA . . 5.600 5.568 5.123 5.674 0.074 10 0 "[ . 1 . 2]" 1
380 1 17 GLU HA 1 47 TYR QE . . 7.730 5.822 3.774 7.554 . 0 0 "[ . 1 . 2]" 1
381 1 17 GLU QB 1 18 ARG H . . 5.440 3.513 3.462 3.553 . 0 0 "[ . 1 . 2]" 1
382 1 17 GLU QB 1 20 PHE H . . 5.440 5.097 4.994 5.180 . 0 0 "[ . 1 . 2]" 1
383 1 17 GLU QB 1 20 PHE QD . . 8.230 3.365 2.929 3.953 . 0 0 "[ . 1 . 2]" 1
384 1 17 GLU QB 1 21 ARG H . . 5.440 4.173 3.886 4.285 . 0 0 "[ . 1 . 2]" 1
385 1 17 GLU QB 1 44 TYR HA . . 7.380 6.132 5.736 6.935 . 0 0 "[ . 1 . 2]" 1
386 1 17 GLU QB 1 47 TYR QD . . 8.230 3.631 2.537 4.527 . 0 0 "[ . 1 . 2]" 1
387 1 17 GLU QB 1 47 TYR QE . . 6.490 3.484 1.973 4.870 . 0 0 "[ . 1 . 2]" 1
388 1 17 GLU QB 1 51 LYS QG . . 7.090 5.511 4.697 6.457 . 0 0 "[ . 1 . 2]" 1
389 1 17 GLU HB2 1 18 ARG H . . 4.600 3.923 3.801 4.069 . 0 0 "[ . 1 . 2]" 1
390 1 17 GLU HB3 1 18 ARG H . . 4.600 3.967 3.897 4.041 . 0 0 "[ . 1 . 2]" 1
391 1 17 GLU QG 1 18 ARG H . . 6.270 2.200 2.024 2.311 . 0 0 "[ . 1 . 2]" 1
392 1 17 GLU QG 1 18 ARG HA . . 6.270 3.430 3.088 4.178 . 0 0 "[ . 1 . 2]" 1
393 1 17 GLU QG 1 20 PHE H . . 6.270 5.231 5.037 5.425 . 0 0 "[ . 1 . 2]" 1
394 1 17 GLU QG 1 20 PHE QD . . 8.230 5.076 4.735 5.684 . 0 0 "[ . 1 . 2]" 1
395 1 17 GLU QG 1 21 ARG H . . 6.270 5.206 4.921 5.584 . 0 0 "[ . 1 . 2]" 1
396 1 17 GLU QG 1 21 ARG QB . . 7.090 4.992 4.496 5.649 . 0 0 "[ . 1 . 2]" 1
397 1 18 ARG H 1 18 ARG QG . . 3.360 3.012 2.831 3.321 . 0 0 "[ . 1 . 2]" 1
398 1 18 ARG H 1 19 ALA H . . 3.400 3.156 3.056 3.199 . 0 0 "[ . 1 . 2]" 1
399 1 18 ARG H 1 19 ALA MB . . 7.520 4.715 4.655 4.774 . 0 0 "[ . 1 . 2]" 1
400 1 18 ARG H 1 20 PHE H . . 4.600 3.817 3.669 3.916 . 0 0 "[ . 1 . 2]" 1
401 1 18 ARG H 1 20 PHE QB . . 6.270 4.109 4.021 4.218 . 0 0 "[ . 1 . 2]" 1
402 1 18 ARG HA 1 20 PHE QB . . 6.270 5.040 4.955 5.297 . 0 0 "[ . 1 . 2]" 1
403 1 18 ARG HA 1 21 ARG H . . 4.600 4.488 4.319 4.608 0.008 17 0 "[ . 1 . 2]" 1
404 1 18 ARG QB 1 19 ALA H . . 6.480 2.115 2.061 2.237 . 0 0 "[ . 1 . 2]" 1
405 1 18 ARG QB 1 19 ALA HA . . 7.380 3.688 3.669 3.751 . 0 0 "[ . 1 . 2]" 1
406 1 18 ARG QB 1 22 ARG QG . . 8.260 4.898 3.665 5.985 . 0 0 "[ . 1 . 2]" 1
407 1 18 ARG QD 1 19 ALA HA . . 7.380 4.690 4.368 5.034 . 0 0 "[ . 1 . 2]" 1
408 1 18 ARG QD 1 21 ARG H . . 7.380 6.110 5.845 6.690 . 0 0 "[ . 1 . 2]" 1
409 1 18 ARG QG 1 19 ALA H . . 6.270 4.054 4.023 4.113 . 0 0 "[ . 1 . 2]" 1
410 1 18 ARG QG 1 19 ALA HA . . 6.270 5.641 5.496 5.738 . 0 0 "[ . 1 . 2]" 1
411 1 18 ARG HG2 1 19 ALA H . . 4.600 4.601 4.561 4.633 0.033 11 0 "[ . 1 . 2]" 1
412 1 18 ARG HG3 1 19 ALA H . . 4.600 4.504 4.460 4.614 0.014 12 0 "[ . 1 . 2]" 1
413 1 19 ALA H 1 20 PHE H . . 3.400 2.606 2.498 2.654 . 0 0 "[ . 1 . 2]" 1
414 1 19 ALA H 1 20 PHE HA . . 5.600 5.183 5.109 5.239 . 0 0 "[ . 1 . 2]" 1
415 1 19 ALA H 1 20 PHE HB2 . . 5.600 5.203 5.038 5.367 . 0 0 "[ . 1 . 2]" 1
416 1 19 ALA H 1 20 PHE QB . . 5.440 4.320 4.232 4.383 . 0 0 "[ . 1 . 2]" 1
417 1 19 ALA H 1 20 PHE HB3 . . 5.600 4.619 4.519 4.763 . 0 0 "[ . 1 . 2]" 1
418 1 19 ALA H 1 21 ARG QG . . 7.380 6.962 5.078 7.459 0.079 19 0 "[ . 1 . 2]" 1
419 1 19 ALA HA 1 21 ARG QB . . 7.380 5.860 5.604 6.488 . 0 0 "[ . 1 . 2]" 1
420 1 19 ALA HA 1 22 ARG H . . 3.400 3.397 3.293 3.525 0.125 17 0 "[ . 1 . 2]" 1
421 1 19 ALA HA 1 22 ARG QB . . 5.480 1.933 1.903 1.952 . 0 0 "[ . 1 . 2]" 1
422 1 19 ALA MB 1 20 PHE H . . 5.620 2.790 2.713 2.932 . 0 0 "[ . 1 . 2]" 1
423 1 19 ALA MB 1 20 PHE HA . . 6.620 3.782 3.711 3.881 . 0 0 "[ . 1 . 2]" 1
424 1 19 ALA MB 1 20 PHE HB2 . . 7.520 4.524 4.345 4.654 . 0 0 "[ . 1 . 2]" 1
425 1 19 ALA MB 1 20 PHE HB3 . . 7.520 4.713 4.624 4.818 . 0 0 "[ . 1 . 2]" 1
426 1 19 ALA MB 1 22 ARG H . . 7.520 4.393 4.291 4.528 . 0 0 "[ . 1 . 2]" 1
427 1 19 ALA MB 1 22 ARG QB . . 8.400 3.339 3.230 3.459 . 0 0 "[ . 1 . 2]" 1
428 1 19 ALA MB 1 23 GLN HG2 . . 7.520 4.177 3.331 5.341 . 0 0 "[ . 1 . 2]" 1
429 1 19 ALA MB 1 23 GLN HG3 . . 7.520 4.736 2.775 5.837 . 0 0 "[ . 1 . 2]" 1
430 1 20 PHE H 1 20 PHE HB2 . . 3.400 2.758 2.602 2.876 . 0 0 "[ . 1 . 2]" 1
431 1 20 PHE H 1 20 PHE HB3 . . 3.400 2.328 2.235 2.463 . 0 0 "[ . 1 . 2]" 1
432 1 20 PHE H 1 20 PHE QD . . 5.530 4.127 4.052 4.180 . 0 0 "[ . 1 . 2]" 1
433 1 20 PHE H 1 21 ARG H . . 3.400 3.069 2.927 3.157 . 0 0 "[ . 1 . 2]" 1
434 1 20 PHE H 1 21 ARG HA . . 5.600 5.534 5.442 5.592 . 0 0 "[ . 1 . 2]" 1
435 1 20 PHE H 1 21 ARG QG . . 7.380 6.047 4.410 6.501 . 0 0 "[ . 1 . 2]" 1
436 1 20 PHE H 1 22 ARG H . . 5.600 3.666 3.565 3.717 . 0 0 "[ . 1 . 2]" 1
437 1 20 PHE H 1 23 GLN QG . . 6.270 5.129 4.515 6.346 0.076 14 0 "[ . 1 . 2]" 1
438 1 20 PHE HA 1 20 PHE QB . . 2.580 2.264 2.223 2.314 . 0 0 "[ . 1 . 2]" 1
439 1 20 PHE HA 1 21 ARG HA . . 6.500 4.707 4.691 4.728 . 0 0 "[ . 1 . 2]" 1
440 1 20 PHE HA 1 21 ARG QG . . 7.380 6.288 5.428 6.678 . 0 0 "[ . 1 . 2]" 1
441 1 20 PHE HA 1 23 GLN H . . 4.600 3.874 3.716 4.096 . 0 0 "[ . 1 . 2]" 1
442 1 20 PHE HA 1 23 GLN HG2 . . 6.500 4.207 2.809 6.073 . 0 0 "[ . 1 . 2]" 1
443 1 20 PHE HA 1 23 GLN HG3 . . 6.500 4.547 3.706 6.408 . 0 0 "[ . 1 . 2]" 1
444 1 20 PHE HA 1 24 ARG H . . 4.600 3.616 3.219 3.765 . 0 0 "[ . 1 . 2]" 1
445 1 20 PHE HA 1 24 ARG QB . . 5.440 3.716 3.053 3.991 . 0 0 "[ . 1 . 2]" 1
446 1 20 PHE HA 1 24 ARG QG . . 5.290 3.073 2.286 3.830 . 0 0 "[ . 1 . 2]" 1
447 1 20 PHE HA 1 25 GLY H . . 5.600 5.026 4.315 5.375 . 0 0 "[ . 1 . 2]" 1
448 1 20 PHE QB 1 22 ARG H . . 5.440 4.142 4.090 4.213 . 0 0 "[ . 1 . 2]" 1
449 1 20 PHE QB 1 24 ARG QB . . 6.040 4.423 4.052 4.577 . 0 0 "[ . 1 . 2]" 1
450 1 20 PHE QB 1 24 ARG QG . . 5.270 4.121 3.571 4.789 . 0 0 "[ . 1 . 2]" 1
451 1 20 PHE QB 1 28 PRO QG . . 8.220 6.113 5.037 7.162 . 0 0 "[ . 1 . 2]" 1
452 1 20 PHE HB2 1 21 ARG H . . 4.600 3.692 3.629 3.759 . 0 0 "[ . 1 . 2]" 1
453 1 20 PHE HB2 1 21 ARG HA . . 5.600 5.518 5.474 5.554 . 0 0 "[ . 1 . 2]" 1
454 1 20 PHE HB3 1 21 ARG H . . 4.600 2.255 2.126 2.420 . 0 0 "[ . 1 . 2]" 1
455 1 20 PHE HB3 1 21 ARG HA . . 5.600 4.589 4.405 4.751 . 0 0 "[ . 1 . 2]" 1
456 1 20 PHE QD 1 21 ARG H . . 5.530 2.503 2.270 2.929 . 0 0 "[ . 1 . 2]" 1
457 1 20 PHE QD 1 21 ARG HB2 . . 8.630 3.167 2.536 4.828 . 0 0 "[ . 1 . 2]" 1
458 1 20 PHE QD 1 21 ARG HB3 . . 8.630 3.617 2.649 4.185 . 0 0 "[ . 1 . 2]" 1
459 1 20 PHE QD 1 22 ARG H . . 8.630 4.776 4.621 4.949 . 0 0 "[ . 1 . 2]" 1
460 1 20 PHE QD 1 24 ARG H . . 8.630 4.540 3.967 4.980 . 0 0 "[ . 1 . 2]" 1
461 1 20 PHE QD 1 24 ARG QD . . 8.230 3.953 2.151 4.786 . 0 0 "[ . 1 . 2]" 1
462 1 20 PHE QD 1 28 PRO HG2 . . 8.630 6.437 5.596 7.199 . 0 0 "[ . 1 . 2]" 1
463 1 20 PHE QD 1 28 PRO HG3 . . 8.630 5.355 4.105 6.500 . 0 0 "[ . 1 . 2]" 1
464 1 20 PHE QD 1 48 ARG QG . . 8.230 5.431 4.264 6.640 . 0 0 "[ . 1 . 2]" 1
465 1 20 PHE QE 1 21 ARG HA . . 8.630 4.078 3.886 4.341 . 0 0 "[ . 1 . 2]" 1
466 1 20 PHE QE 1 24 ARG QB . . 8.230 3.031 2.561 3.546 . 0 0 "[ . 1 . 2]" 1
467 1 20 PHE QE 1 26 ARG QG . . 8.230 5.639 4.284 6.373 . 0 0 "[ . 1 . 2]" 1
468 1 20 PHE QE 1 28 PRO QB . . 8.230 2.652 1.992 3.161 . 0 0 "[ . 1 . 2]" 1
469 1 20 PHE QE 1 33 VAL QG . . 9.380 5.123 4.374 5.983 . 0 0 "[ . 1 . 2]" 1
470 1 20 PHE HZ 1 21 ARG QB . . 6.270 5.322 4.780 6.006 . 0 0 "[ . 1 . 2]" 1
471 1 20 PHE HZ 1 27 ARG QG . . 6.270 4.499 3.964 5.035 . 0 0 "[ . 1 . 2]" 1
472 1 20 PHE HZ 1 28 PRO QD . . 6.280 2.303 1.968 3.099 . 0 0 "[ . 1 . 2]" 1
473 1 20 PHE HZ 1 51 LYS QB . . 8.630 7.795 6.484 8.694 0.064 4 0 "[ . 1 . 2]" 1
474 1 20 PHE HZ 1 51 LYS QE . . 8.630 6.956 5.379 8.608 . 0 0 "[ . 1 . 2]" 1
475 1 20 PHE HZ 1 52 ARG HG2 . . 6.500 6.299 5.621 6.540 0.040 11 0 "[ . 1 . 2]" 1
476 1 20 PHE HZ 1 52 ARG HG3 . . 6.500 6.200 5.535 6.526 0.026 16 0 "[ . 1 . 2]" 1
477 1 21 ARG H 1 21 ARG HB2 . . 3.400 2.835 2.567 3.571 0.171 11 0 "[ . 1 . 2]" 1
478 1 21 ARG H 1 21 ARG HB3 . . 3.400 2.398 2.343 2.492 . 0 0 "[ . 1 . 2]" 1
479 1 21 ARG H 1 22 ARG H . . 3.400 2.615 2.576 2.670 . 0 0 "[ . 1 . 2]" 1
480 1 21 ARG H 1 23 GLN H . . 5.600 4.630 4.408 4.900 . 0 0 "[ . 1 . 2]" 1
481 1 21 ARG H 1 24 ARG H . . 5.600 4.936 4.836 5.129 . 0 0 "[ . 1 . 2]" 1
482 1 21 ARG H 1 24 ARG QB . . 5.440 4.514 4.297 4.661 . 0 0 "[ . 1 . 2]" 1
483 1 21 ARG H 1 26 ARG H . . 5.600 5.642 5.606 5.707 0.107 9 0 "[ . 1 . 2]" 1
484 1 21 ARG HA 1 22 ARG HA . . 4.600 4.749 4.730 4.798 0.198 17 0 "[ . 1 . 2]" 1
485 1 21 ARG HA 1 23 GLN H . . 5.600 4.453 4.277 4.696 . 0 0 "[ . 1 . 2]" 1
486 1 21 ARG HA 1 24 ARG H . . 4.600 3.923 3.672 4.508 . 0 0 "[ . 1 . 2]" 1
487 1 21 ARG HA 1 24 ARG QB . . 4.400 3.112 2.835 3.751 . 0 0 "[ . 1 . 2]" 1
488 1 21 ARG HA 1 25 GLY H . . 4.600 2.098 1.929 2.405 . 0 0 "[ . 1 . 2]" 1
489 1 21 ARG HA 1 25 GLY HA2 . . 6.500 2.677 1.994 3.205 . 0 0 "[ . 1 . 2]" 1
490 1 21 ARG HA 1 25 GLY HA3 . . 6.500 4.088 3.374 4.582 . 0 0 "[ . 1 . 2]" 1
491 1 21 ARG HA 1 26 ARG H . . 4.600 3.164 2.953 3.475 . 0 0 "[ . 1 . 2]" 1
492 1 21 ARG QB 1 22 ARG QG . . 6.040 5.252 4.105 5.915 . 0 0 "[ . 1 . 2]" 1
493 1 21 ARG QB 1 24 ARG QB . . 6.040 4.709 4.482 5.150 . 0 0 "[ . 1 . 2]" 1
494 1 21 ARG QB 1 25 GLY H . . 4.500 4.050 3.663 4.371 . 0 0 "[ . 1 . 2]" 1
495 1 21 ARG QB 1 25 GLY QA . . 6.040 3.660 2.908 4.098 . 0 0 "[ . 1 . 2]" 1
496 1 21 ARG QB 1 27 ARG HA . . 7.520 6.970 6.329 7.599 0.079 17 0 "[ . 1 . 2]" 1
497 1 21 ARG QD 1 22 ARG H . . 7.380 5.100 3.540 5.539 . 0 0 "[ . 1 . 2]" 1
498 1 21 ARG QD 1 22 ARG HA . . 7.380 5.443 2.807 6.040 . 0 0 "[ . 1 . 2]" 1
499 1 21 ARG QD 1 23 GLN H . . 7.380 6.779 5.229 7.303 . 0 0 "[ . 1 . 2]" 1
500 1 21 ARG QG 1 22 ARG H . . 6.480 3.700 2.533 4.108 . 0 0 "[ . 1 . 2]" 1
501 1 21 ARG QG 1 25 GLY H . . 7.380 3.876 3.215 4.902 . 0 0 "[ . 1 . 2]" 1
502 1 22 ARG H 1 23 GLN QG . . 6.270 4.181 3.740 5.680 . 0 0 "[ . 1 . 2]" 1
503 1 22 ARG H 1 24 ARG H . . 5.600 3.930 3.761 4.228 . 0 0 "[ . 1 . 2]" 1
504 1 22 ARG H 1 25 GLY QA . . 6.480 4.911 4.646 5.136 . 0 0 "[ . 1 . 2]" 1
505 1 22 ARG HA 1 24 ARG H . . 5.600 5.163 4.977 5.547 . 0 0 "[ . 1 . 2]" 1
506 1 22 ARG QB 1 23 GLN H . . 5.480 2.518 2.284 2.736 . 0 0 "[ . 1 . 2]" 1
507 1 22 ARG QB 1 24 ARG H . . 5.480 4.544 4.289 4.789 . 0 0 "[ . 1 . 2]" 1
508 1 22 ARG QG 1 23 GLN H . . 7.380 4.118 3.245 4.503 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLN H 1 23 GLN QG . . 3.320 2.240 1.891 3.622 0.302 14 0 "[ . 1 . 2]" 1
510 1 23 GLN H 1 24 ARG H . . 3.400 2.292 2.220 2.479 . 0 0 "[ . 1 . 2]" 1
511 1 23 GLN H 1 24 ARG HA . . 5.600 4.955 4.912 5.055 . 0 0 "[ . 1 . 2]" 1
512 1 23 GLN H 1 24 ARG HB2 . . 5.600 4.419 4.195 4.643 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLN H 1 24 ARG QB . . 6.270 4.285 4.092 4.473 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLN H 1 24 ARG HB3 . . 5.600 5.781 5.691 5.845 0.245 1 0 "[ . 1 . 2]" 1
515 1 23 GLN H 1 24 ARG QG . . 4.500 4.127 3.559 4.550 0.050 15 0 "[ . 1 . 2]" 1
516 1 23 GLN H 1 25 GLY H . . 5.600 3.955 3.610 4.446 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLN QB 1 24 ARG H . . 5.480 2.915 2.134 3.395 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLN QB 1 24 ARG HA . . 7.380 4.120 3.787 4.536 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLN QB 1 24 ARG QB . . 7.080 4.669 4.009 5.149 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLN QB 1 24 ARG QD . . 7.090 4.794 2.932 5.601 . 0 0 "[ . 1 . 2]" 1
521 1 23 GLN QB 1 24 ARG QG . . 7.090 3.597 2.902 4.175 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLN QG 1 24 ARG H . . 6.270 2.730 1.884 4.077 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLN QG 1 24 ARG QB . . 6.040 4.331 3.201 5.956 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLN QG 1 24 ARG QD . . 6.040 4.615 3.110 6.068 0.028 4 0 "[ . 1 . 2]" 1
525 1 23 GLN QG 1 24 ARG QG . . 6.040 3.147 1.941 4.788 . 0 0 "[ . 1 . 2]" 1
526 1 24 ARG H 1 24 ARG QB . . 3.260 2.418 2.224 2.632 . 0 0 "[ . 1 . 2]" 1
527 1 24 ARG H 1 24 ARG QD . . 5.290 3.913 2.742 4.457 . 0 0 "[ . 1 . 2]" 1
528 1 24 ARG H 1 24 ARG QG . . 3.320 2.357 1.918 2.776 . 0 0 "[ . 1 . 2]" 1
529 1 24 ARG H 1 25 GLY H . . 3.400 2.744 2.549 2.965 . 0 0 "[ . 1 . 2]" 1
530 1 24 ARG H 1 25 GLY QA . . 4.400 4.416 4.308 4.513 0.113 17 0 "[ . 1 . 2]" 1
531 1 24 ARG H 1 26 ARG H . . 5.600 4.891 4.613 5.195 . 0 0 "[ . 1 . 2]" 1
532 1 24 ARG HA 1 24 ARG QD . . 3.320 2.455 2.008 3.341 0.021 20 0 "[ . 1 . 2]" 1
533 1 24 ARG HA 1 25 GLY QA . . 5.440 4.419 4.365 4.459 . 0 0 "[ . 1 . 2]" 1
534 1 24 ARG QB 1 25 GLY H . . 4.400 2.283 1.900 2.603 . 0 0 "[ . 1 . 2]" 1
535 1 24 ARG QB 1 25 GLY QA . . 5.590 3.779 3.627 3.924 . 0 0 "[ . 1 . 2]" 1
536 1 24 ARG QB 1 26 ARG H . . 6.270 2.661 2.545 2.916 . 0 0 "[ . 1 . 2]" 1
537 1 24 ARG QB 1 26 ARG QB . . 6.040 4.124 3.776 4.686 . 0 0 "[ . 1 . 2]" 1
538 1 24 ARG HB2 1 25 GLY H . . 4.600 2.336 1.924 2.697 . 0 0 "[ . 1 . 2]" 1
539 1 24 ARG HB3 1 25 GLY H . . 4.600 3.299 2.631 3.809 . 0 0 "[ . 1 . 2]" 1
540 1 24 ARG QD 1 26 ARG HA . . 7.380 6.778 6.272 7.364 . 0 0 "[ . 1 . 2]" 1
541 1 24 ARG QD 1 27 ARG HA . . 7.380 6.597 5.802 7.398 0.018 17 0 "[ . 1 . 2]" 1
542 1 24 ARG QD 1 28 PRO QD . . 7.090 5.851 4.633 6.747 . 0 0 "[ . 1 . 2]" 1
543 1 24 ARG QD 1 28 PRO QG . . 7.090 6.165 4.875 7.048 . 0 0 "[ . 1 . 2]" 1
544 1 24 ARG HD2 1 26 ARG H . . 6.500 5.808 5.087 6.419 . 0 0 "[ . 1 . 2]" 1
545 1 24 ARG HD3 1 26 ARG H . . 6.500 5.343 4.675 6.380 . 0 0 "[ . 1 . 2]" 1
546 1 24 ARG QG 1 25 GLY H . . 5.440 3.906 3.550 4.252 . 0 0 "[ . 1 . 2]" 1
547 1 24 ARG QG 1 26 ARG H . . 6.270 4.608 4.430 4.806 . 0 0 "[ . 1 . 2]" 1
548 1 24 ARG QG 1 29 SER H . . 7.380 5.281 4.132 6.744 . 0 0 "[ . 1 . 2]" 1
549 1 25 GLY H 1 26 ARG H . . 4.600 2.643 2.324 2.828 . 0 0 "[ . 1 . 2]" 1
550 1 25 GLY H 1 26 ARG QB . . 6.270 4.934 4.460 5.414 . 0 0 "[ . 1 . 2]" 1
551 1 25 GLY QA 1 26 ARG HA . . 6.270 4.064 4.043 4.078 . 0 0 "[ . 1 . 2]" 1
552 1 26 ARG H 1 26 ARG QG . . 4.500 3.641 2.609 4.242 . 0 0 "[ . 1 . 2]" 1
553 1 26 ARG H 1 27 ARG H . . 5.600 4.338 4.231 4.359 . 0 0 "[ . 1 . 2]" 1
554 1 26 ARG H 1 27 ARG HA . . 5.600 4.992 4.808 5.089 . 0 0 "[ . 1 . 2]" 1
555 1 26 ARG H 1 52 ARG QD . . 7.380 6.765 4.637 7.385 0.005 19 0 "[ . 1 . 2]" 1
556 1 26 ARG HA 1 27 ARG H . . 2.800 2.582 2.289 2.748 . 0 0 "[ . 1 . 2]" 1
557 1 26 ARG HA 1 27 ARG HA . . 5.600 4.310 4.290 4.335 . 0 0 "[ . 1 . 2]" 1
558 1 26 ARG HA 1 27 ARG QB . . 6.270 4.485 4.253 4.806 . 0 0 "[ . 1 . 2]" 1
559 1 26 ARG QB 1 52 ARG QD . . 7.090 5.955 4.238 6.880 . 0 0 "[ . 1 . 2]" 1
560 1 26 ARG HB2 1 27 ARG H . . 4.600 3.197 1.915 4.025 . 0 0 "[ . 1 . 2]" 1
561 1 26 ARG HB3 1 27 ARG H . . 4.600 2.779 2.163 3.751 . 0 0 "[ . 1 . 2]" 1
562 1 26 ARG QD 1 27 ARG H . . 6.480 3.793 2.153 4.835 . 0 0 "[ . 1 . 2]" 1
563 1 26 ARG QG 1 27 ARG H . . 6.270 2.880 2.088 4.138 . 0 0 "[ . 1 . 2]" 1
564 1 27 ARG H 1 27 ARG QB . . 2.760 2.107 2.041 2.341 . 0 0 "[ . 1 . 2]" 1
565 1 27 ARG H 1 27 ARG QG . . 4.500 3.276 2.553 3.725 . 0 0 "[ . 1 . 2]" 1
566 1 27 ARG H 1 28 PRO HA . . 6.500 5.815 5.701 5.882 . 0 0 "[ . 1 . 2]" 1
567 1 27 ARG H 1 28 PRO HD2 . . 6.500 4.741 4.666 4.776 . 0 0 "[ . 1 . 2]" 1
568 1 27 ARG H 1 28 PRO QD . . 5.290 4.280 4.098 4.343 . 0 0 "[ . 1 . 2]" 1
569 1 27 ARG H 1 28 PRO HD3 . . 6.500 4.881 4.539 5.034 . 0 0 "[ . 1 . 2]" 1
570 1 27 ARG H 1 48 ARG QG . . 7.520 6.747 6.014 7.526 0.006 6 0 "[ . 1 . 2]" 1
571 1 27 ARG H 1 52 ARG QD . . 5.290 4.345 2.679 5.299 0.009 10 0 "[ . 1 . 2]" 1
572 1 27 ARG HA 1 28 PRO HD2 . . 3.400 2.258 1.968 2.483 . 0 0 "[ . 1 . 2]" 1
573 1 27 ARG HA 1 28 PRO HD3 . . 3.400 2.285 2.253 2.335 . 0 0 "[ . 1 . 2]" 1
574 1 27 ARG HA 1 48 ARG QB . . 6.270 5.865 4.059 6.383 0.113 16 0 "[ . 1 . 2]" 1
575 1 27 ARG HA 1 52 ARG QD . . 5.440 3.528 2.138 4.193 . 0 0 "[ . 1 . 2]" 1
576 1 27 ARG HA 1 52 ARG QG . . 5.290 4.151 2.127 4.793 . 0 0 "[ . 1 . 2]" 1
577 1 27 ARG QB 1 28 PRO QD . . 3.920 2.777 1.978 3.542 . 0 0 "[ . 1 . 2]" 1
578 1 27 ARG QB 1 48 ARG QG . . 6.040 5.360 4.617 6.068 0.028 9 0 "[ . 1 . 2]" 1
579 1 27 ARG QB 1 52 ARG HA . . 7.380 7.049 4.562 7.407 0.027 1 0 "[ . 1 . 2]" 1
580 1 27 ARG QB 1 52 ARG QD . . 6.040 3.871 1.977 4.859 . 0 0 "[ . 1 . 2]" 1
581 1 27 ARG QB 1 52 ARG QG . . 6.040 4.534 2.054 5.056 . 0 0 "[ . 1 . 2]" 1
582 1 27 ARG HB2 1 28 PRO HD2 . . 5.600 3.818 2.005 4.370 . 0 0 "[ . 1 . 2]" 1
583 1 27 ARG HB2 1 28 PRO HD3 . . 5.600 4.757 3.429 5.060 . 0 0 "[ . 1 . 2]" 1
584 1 27 ARG HB3 1 28 PRO HD2 . . 5.600 3.087 2.079 4.089 . 0 0 "[ . 1 . 2]" 1
585 1 27 ARG HB3 1 28 PRO HD3 . . 5.600 4.256 3.517 4.908 . 0 0 "[ . 1 . 2]" 1
586 1 27 ARG QD 1 28 PRO QD . . 7.090 3.063 1.980 4.352 . 0 0 "[ . 1 . 2]" 1
587 1 27 ARG QD 1 28 PRO QG . . 7.090 4.134 2.785 5.571 . 0 0 "[ . 1 . 2]" 1
588 1 27 ARG QD 1 48 ARG HA . . 7.380 7.085 5.924 7.388 0.008 14 0 "[ . 1 . 2]" 1
589 1 27 ARG QD 1 52 ARG HB2 . . 7.380 5.222 4.593 6.607 . 0 0 "[ . 1 . 2]" 1
590 1 27 ARG QD 1 52 ARG HB3 . . 7.380 4.679 3.587 6.471 . 0 0 "[ . 1 . 2]" 1
591 1 27 ARG QG 1 28 PRO QD . . 4.010 2.351 1.915 4.119 0.109 20 0 "[ . 1 . 2]" 1
592 1 27 ARG QG 1 52 ARG H . . 7.380 6.362 5.931 7.279 . 0 0 "[ . 1 . 2]" 1
593 1 27 ARG QG 1 52 ARG HA . . 6.270 5.596 5.183 6.380 0.110 12 0 "[ . 1 . 2]" 1
594 1 27 ARG QG 1 53 THR H . . 7.380 7.209 6.857 7.443 0.063 20 0 "[ . 1 . 2]" 1
595 1 28 PRO HA 1 29 SER H . . 2.800 2.502 2.358 2.669 . 0 0 "[ . 1 . 2]" 1
596 1 28 PRO HA 1 32 ASP H . . 5.600 5.667 5.608 5.726 0.126 18 0 "[ . 1 . 2]" 1
597 1 28 PRO HA 1 32 ASP HB2 . . 4.600 4.543 4.057 4.618 0.018 19 0 "[ . 1 . 2]" 1
598 1 28 PRO HA 1 32 ASP HB3 . . 4.600 4.566 4.231 4.629 0.029 11 0 "[ . 1 . 2]" 1
599 1 28 PRO HA 1 33 VAL H . . 6.500 5.892 5.618 6.431 . 0 0 "[ . 1 . 2]" 1
600 1 28 PRO QB 1 30 GLN QB . . 7.090 6.616 6.443 6.751 . 0 0 "[ . 1 . 2]" 1
601 1 28 PRO QB 1 32 ASP H . . 6.270 4.746 3.895 5.129 . 0 0 "[ . 1 . 2]" 1
602 1 28 PRO QB 1 32 ASP HA . . 6.270 5.836 4.965 6.299 0.029 3 0 "[ . 1 . 2]" 1
603 1 28 PRO QB 1 32 ASP QB . . 3.920 3.259 2.287 3.760 . 0 0 "[ . 1 . 2]" 1
604 1 28 PRO QB 1 33 VAL H . . 5.440 4.027 3.439 4.521 . 0 0 "[ . 1 . 2]" 1
605 1 28 PRO QB 1 33 VAL QG . . 6.270 2.277 1.889 3.488 . 0 0 "[ . 1 . 2]" 1
606 1 28 PRO QB 1 44 TYR QD . . 7.210 5.542 4.989 6.075 . 0 0 "[ . 1 . 2]" 1
607 1 28 PRO HB2 1 29 SER H . . 4.600 2.379 2.007 2.724 . 0 0 "[ . 1 . 2]" 1
608 1 28 PRO HB2 1 32 ASP HB2 . . 5.600 4.416 3.310 4.992 . 0 0 "[ . 1 . 2]" 1
609 1 28 PRO HB2 1 32 ASP HB3 . . 5.600 3.748 2.429 4.487 . 0 0 "[ . 1 . 2]" 1
610 1 28 PRO HB2 1 33 VAL H . . 6.500 4.152 3.503 4.693 . 0 0 "[ . 1 . 2]" 1
611 1 28 PRO HB3 1 29 SER H . . 4.600 3.345 3.184 3.512 . 0 0 "[ . 1 . 2]" 1
612 1 28 PRO HB3 1 32 ASP HB2 . . 5.600 4.816 3.789 5.312 . 0 0 "[ . 1 . 2]" 1
613 1 28 PRO HB3 1 32 ASP HB3 . . 5.600 4.031 3.155 4.572 . 0 0 "[ . 1 . 2]" 1
614 1 28 PRO HB3 1 33 VAL H . . 6.500 5.446 5.019 5.909 . 0 0 "[ . 1 . 2]" 1
615 1 28 PRO QD 1 44 TYR QD . . 8.240 7.078 5.793 7.860 . 0 0 "[ . 1 . 2]" 1
616 1 28 PRO QD 1 52 ARG QD . . 7.090 4.056 3.273 5.156 . 0 0 "[ . 1 . 2]" 1
617 1 28 PRO QG 1 29 SER H . . 5.080 3.990 3.696 4.240 . 0 0 "[ . 1 . 2]" 1
618 1 28 PRO QG 1 30 GLN HA . . 6.280 6.164 5.866 6.338 0.058 5 0 "[ . 1 . 2]" 1
619 1 28 PRO QG 1 30 GLN QG . . 8.230 6.970 6.171 7.891 . 0 0 "[ . 1 . 2]" 1
620 1 28 PRO QG 1 31 ASP H . . 7.380 7.219 6.702 7.421 0.041 18 0 "[ . 1 . 2]" 1
621 1 28 PRO QG 1 32 ASP QB . . 6.040 4.917 3.604 5.505 . 0 0 "[ . 1 . 2]" 1
622 1 28 PRO QG 1 33 VAL HB . . 6.280 5.366 4.666 5.853 . 0 0 "[ . 1 . 2]" 1
623 1 28 PRO QG 1 44 TYR QD . . 8.230 5.801 4.738 6.816 . 0 0 "[ . 1 . 2]" 1
624 1 28 PRO QG 1 48 ARG QG . . 6.040 2.419 1.959 3.452 . 0 0 "[ . 1 . 2]" 1
625 1 28 PRO QG 1 49 THR H . . 7.380 6.258 4.504 7.436 0.056 19 0 "[ . 1 . 2]" 1
626 1 28 PRO QG 1 52 ARG QD . . 8.260 5.611 4.770 6.812 . 0 0 "[ . 1 . 2]" 1
627 1 29 SER H 1 32 ASP H . . 4.600 3.412 3.192 3.581 . 0 0 "[ . 1 . 2]" 1
628 1 29 SER H 1 32 ASP HB2 . . 4.600 3.073 2.478 3.376 . 0 0 "[ . 1 . 2]" 1
629 1 29 SER H 1 32 ASP HB3 . . 4.600 3.413 2.870 3.693 . 0 0 "[ . 1 . 2]" 1
630 1 29 SER H 1 33 VAL H . . 5.600 3.734 3.486 4.136 . 0 0 "[ . 1 . 2]" 1
631 1 29 SER HA 1 30 GLN QG . . 7.380 4.544 3.846 5.844 . 0 0 "[ . 1 . 2]" 1
632 1 29 SER HA 1 33 VAL HB . . 6.500 5.308 5.120 5.624 . 0 0 "[ . 1 . 2]" 1
633 1 29 SER QB 1 30 GLN HA . . 6.270 4.508 4.276 4.805 . 0 0 "[ . 1 . 2]" 1
634 1 29 SER QB 1 30 GLN QB . . 5.340 4.166 3.554 4.649 . 0 0 "[ . 1 . 2]" 1
635 1 29 SER QB 1 31 ASP H . . 4.500 2.320 2.121 2.911 . 0 0 "[ . 1 . 2]" 1
636 1 29 SER QB 1 32 ASP H . . 4.500 3.067 2.713 4.184 . 0 0 "[ . 1 . 2]" 1
637 1 29 SER QB 1 32 ASP QB . . 6.040 3.586 3.105 4.782 . 0 0 "[ . 1 . 2]" 1
638 1 29 SER HB2 1 31 ASP HB2 . . 6.500 3.551 2.571 4.606 . 0 0 "[ . 1 . 2]" 1
639 1 29 SER HB2 1 31 ASP HB3 . . 6.500 4.750 3.333 5.764 . 0 0 "[ . 1 . 2]" 1
640 1 29 SER HB2 1 32 ASP H . . 5.600 3.480 2.801 4.587 . 0 0 "[ . 1 . 2]" 1
641 1 29 SER HB3 1 31 ASP HB2 . . 6.500 3.387 2.613 4.757 . 0 0 "[ . 1 . 2]" 1
642 1 29 SER HB3 1 31 ASP HB3 . . 6.500 4.786 3.357 6.487 . 0 0 "[ . 1 . 2]" 1
643 1 29 SER HB3 1 32 ASP H . . 5.600 3.771 2.742 5.027 . 0 0 "[ . 1 . 2]" 1
644 1 30 GLN HA 1 31 ASP HA . . 5.600 4.762 4.748 4.776 . 0 0 "[ . 1 . 2]" 1
645 1 30 GLN HA 1 32 ASP H . . 4.600 4.494 4.384 4.605 0.005 20 0 "[ . 1 . 2]" 1
646 1 30 GLN HA 1 33 VAL H . . 3.400 3.396 3.278 3.423 0.023 7 0 "[ . 1 . 2]" 1
647 1 30 GLN HA 1 33 VAL HA . . 6.500 5.140 5.069 5.298 . 0 0 "[ . 1 . 2]" 1
648 1 30 GLN HA 1 33 VAL HB . . 3.400 2.297 2.230 2.791 . 0 0 "[ . 1 . 2]" 1
649 1 30 GLN HA 1 33 VAL MG1 . . 6.620 3.607 2.368 3.893 . 0 0 "[ . 1 . 2]" 1
650 1 30 GLN HA 1 33 VAL QG . . 5.330 2.878 2.353 3.090 . 0 0 "[ . 1 . 2]" 1
651 1 30 GLN HA 1 33 VAL MG2 . . 6.620 3.099 2.744 4.072 . 0 0 "[ . 1 . 2]" 1
652 1 30 GLN QB 1 31 ASP QB . . 6.040 4.675 4.112 5.271 . 0 0 "[ . 1 . 2]" 1
653 1 30 GLN QB 1 32 ASP H . . 6.270 5.168 4.943 5.487 . 0 0 "[ . 1 . 2]" 1
654 1 30 GLN HB2 1 31 ASP H . . 5.600 3.557 3.016 4.149 . 0 0 "[ . 1 . 2]" 1
655 1 30 GLN HB3 1 31 ASP H . . 5.600 3.826 3.231 4.221 . 0 0 "[ . 1 . 2]" 1
656 1 30 GLN QG 1 33 VAL H . . 7.380 5.212 5.079 5.394 . 0 0 "[ . 1 . 2]" 1
657 1 30 GLN QG 1 33 VAL QG . . 8.210 4.113 3.256 5.092 . 0 0 "[ . 1 . 2]" 1
658 1 30 GLN QG 1 34 GLU H . . 6.480 4.761 3.852 5.467 . 0 0 "[ . 1 . 2]" 1
659 1 31 ASP H 1 32 ASP H . . 4.600 2.605 2.542 2.639 . 0 0 "[ . 1 . 2]" 1
660 1 31 ASP H 1 33 VAL H . . 6.500 3.748 3.634 3.874 . 0 0 "[ . 1 . 2]" 1
661 1 31 ASP HA 1 33 VAL H . . 5.600 4.501 4.164 4.709 . 0 0 "[ . 1 . 2]" 1
662 1 31 ASP HA 1 34 GLU H . . 4.600 3.997 3.489 4.211 . 0 0 "[ . 1 . 2]" 1
663 1 31 ASP HA 1 34 GLU HB2 . . 4.600 4.402 3.465 4.599 . 0 0 "[ . 1 . 2]" 1
664 1 31 ASP HA 1 34 GLU HB3 . . 4.600 3.729 3.100 3.973 . 0 0 "[ . 1 . 2]" 1
665 1 31 ASP HA 1 34 GLU QG . . 6.620 5.544 4.751 5.879 . 0 0 "[ . 1 . 2]" 1
666 1 31 ASP HA 1 35 ALA H . . 4.600 4.632 4.601 4.707 0.107 12 0 "[ . 1 . 2]" 1
667 1 31 ASP HA 1 35 ALA MB . . 7.520 4.417 4.161 4.893 . 0 0 "[ . 1 . 2]" 1
668 1 31 ASP QB 1 34 GLU H . . 6.270 5.209 4.889 5.336 . 0 0 "[ . 1 . 2]" 1
669 1 31 ASP QB 1 34 GLU QB . . 7.210 5.202 4.773 5.353 . 0 0 "[ . 1 . 2]" 1
670 1 31 ASP QB 1 35 ALA H . . 6.270 5.478 5.410 5.598 . 0 0 "[ . 1 . 2]" 1
671 1 31 ASP QB 1 35 ALA MB . . 7.210 4.436 4.228 4.887 . 0 0 "[ . 1 . 2]" 1
672 1 31 ASP HB2 1 32 ASP H . . 4.600 2.871 2.514 3.497 . 0 0 "[ . 1 . 2]" 1
673 1 31 ASP HB2 1 32 ASP HA . . 5.600 4.924 4.535 5.509 . 0 0 "[ . 1 . 2]" 1
674 1 31 ASP HB2 1 33 VAL H . . 5.600 4.954 4.668 5.393 . 0 0 "[ . 1 . 2]" 1
675 1 31 ASP HB3 1 32 ASP H . . 4.600 3.054 2.493 3.434 . 0 0 "[ . 1 . 2]" 1
676 1 31 ASP HB3 1 32 ASP HA . . 5.600 4.069 3.877 4.269 . 0 0 "[ . 1 . 2]" 1
677 1 31 ASP HB3 1 33 VAL H . . 5.600 5.148 4.740 5.441 . 0 0 "[ . 1 . 2]" 1
678 1 32 ASP H 1 32 ASP QB . . 3.260 2.133 2.088 2.217 . 0 0 "[ . 1 . 2]" 1
679 1 32 ASP H 1 33 VAL H . . 3.400 2.390 2.332 2.515 . 0 0 "[ . 1 . 2]" 1
680 1 32 ASP H 1 33 VAL HA . . 5.600 5.043 4.996 5.149 . 0 0 "[ . 1 . 2]" 1
681 1 32 ASP H 1 33 VAL HB . . 4.600 4.608 4.425 4.663 0.063 12 0 "[ . 1 . 2]" 1
682 1 32 ASP H 1 33 VAL QG . . 6.520 3.881 3.743 4.499 . 0 0 "[ . 1 . 2]" 1
683 1 32 ASP H 1 35 ALA MB . . 7.520 4.316 4.131 4.746 . 0 0 "[ . 1 . 2]" 1
684 1 32 ASP HA 1 33 VAL QG . . 7.370 4.739 4.685 5.061 . 0 0 "[ . 1 . 2]" 1
685 1 32 ASP HA 1 34 GLU H . . 5.600 4.625 4.290 4.728 . 0 0 "[ . 1 . 2]" 1
686 1 32 ASP HA 1 35 ALA H . . 3.400 3.500 3.458 3.578 0.178 18 0 "[ . 1 . 2]" 1
687 1 32 ASP HA 1 35 ALA MB . . 5.620 2.211 2.056 2.740 . 0 0 "[ . 1 . 2]" 1
688 1 32 ASP QB 1 33 VAL QG . . 5.690 3.200 3.099 4.129 . 0 0 "[ . 1 . 2]" 1
689 1 32 ASP QB 1 34 GLU H . . 5.440 4.935 4.754 5.035 . 0 0 "[ . 1 . 2]" 1
690 1 32 ASP QB 1 35 ALA H . . 6.270 4.802 4.725 4.978 . 0 0 "[ . 1 . 2]" 1
691 1 32 ASP QB 1 44 TYR QE . . 8.230 5.705 4.828 6.691 . 0 0 "[ . 1 . 2]" 1
692 1 32 ASP HB2 1 33 VAL H . . 4.600 3.439 3.162 3.741 . 0 0 "[ . 1 . 2]" 1
693 1 32 ASP HB2 1 33 VAL HA . . 5.600 5.274 5.051 5.499 . 0 0 "[ . 1 . 2]" 1
694 1 32 ASP HB2 1 33 VAL HB . . 6.500 5.804 5.329 6.153 . 0 0 "[ . 1 . 2]" 1
695 1 32 ASP HB3 1 33 VAL H . . 4.600 3.064 2.815 3.233 . 0 0 "[ . 1 . 2]" 1
696 1 32 ASP HB3 1 33 VAL HA . . 5.600 3.948 3.882 4.040 . 0 0 "[ . 1 . 2]" 1
697 1 32 ASP HB3 1 33 VAL HB . . 6.500 5.216 4.289 5.390 . 0 0 "[ . 1 . 2]" 1
698 1 33 VAL H 1 33 VAL HB . . 3.400 2.481 2.223 2.522 . 0 0 "[ . 1 . 2]" 1
699 1 33 VAL H 1 34 GLU HB2 . . 5.600 4.803 4.463 4.920 . 0 0 "[ . 1 . 2]" 1
700 1 33 VAL H 1 34 GLU HB3 . . 5.600 5.160 4.718 5.363 . 0 0 "[ . 1 . 2]" 1
701 1 33 VAL H 1 35 ALA H . . 5.600 3.667 3.614 3.797 . 0 0 "[ . 1 . 2]" 1
702 1 33 VAL H 1 36 ALA MB . . 7.520 5.681 5.559 5.839 . 0 0 "[ . 1 . 2]" 1
703 1 33 VAL HA 1 34 GLU HA . . 4.600 4.702 4.692 4.735 0.135 12 0 "[ . 1 . 2]" 1
704 1 33 VAL HA 1 35 ALA H . . 4.600 3.819 3.760 3.866 . 0 0 "[ . 1 . 2]" 1
705 1 33 VAL HA 1 35 ALA MB . . 7.520 4.553 4.453 4.751 . 0 0 "[ . 1 . 2]" 1
706 1 33 VAL HA 1 36 ALA H . . 4.600 3.994 3.720 4.745 0.145 5 0 "[ . 1 . 2]" 1
707 1 33 VAL HA 1 36 ALA MB . . 5.620 3.760 3.596 3.979 . 0 0 "[ . 1 . 2]" 1
708 1 33 VAL HB 1 34 GLU H . . 3.400 2.528 2.396 3.515 0.115 18 0 "[ . 1 . 2]" 1
709 1 33 VAL HB 1 34 GLU HA . . 6.500 4.378 4.296 5.351 . 0 0 "[ . 1 . 2]" 1
710 1 33 VAL HB 1 34 GLU QG . . 6.270 5.390 5.082 6.334 0.064 18 0 "[ . 1 . 2]" 1
711 1 33 VAL HB 1 35 ALA H . . 5.600 4.598 4.498 5.241 . 0 0 "[ . 1 . 2]" 1
712 1 33 VAL QG 1 34 GLU H . . 5.550 3.073 2.213 3.229 . 0 0 "[ . 1 . 2]" 1
713 1 33 VAL QG 1 34 GLU HA . . 6.210 3.368 2.883 3.485 . 0 0 "[ . 1 . 2]" 1
714 1 33 VAL QG 1 34 GLU QB . . 6.570 3.724 2.792 3.960 . 0 0 "[ . 1 . 2]" 1
715 1 33 VAL QG 1 41 ARG HA . . 6.510 3.556 2.926 4.008 . 0 0 "[ . 1 . 2]" 1
716 1 33 VAL QG 1 41 ARG QB . . 7.060 3.638 2.957 4.058 . 0 0 "[ . 1 . 2]" 1
717 1 33 VAL QG 1 41 ARG QD . . 7.060 3.895 3.288 4.454 . 0 0 "[ . 1 . 2]" 1
718 1 33 VAL QG 1 41 ARG QG . . 8.210 2.410 1.896 2.993 . 0 0 "[ . 1 . 2]" 1
719 1 33 VAL QG 1 44 TYR H . . 7.370 5.778 5.174 6.187 . 0 0 "[ . 1 . 2]" 1
720 1 33 VAL QG 1 45 ARG HA . . 7.370 4.249 3.673 4.429 . 0 0 "[ . 1 . 2]" 1
721 1 33 VAL MG1 1 34 GLU H . . 7.520 3.256 2.221 3.461 . 0 0 "[ . 1 . 2]" 1
722 1 33 VAL MG1 1 34 GLU HA . . 7.520 3.404 2.909 3.529 . 0 0 "[ . 1 . 2]" 1
723 1 33 VAL MG1 1 35 ALA H . . 7.520 4.530 4.101 4.606 . 0 0 "[ . 1 . 2]" 1
724 1 33 VAL MG1 1 36 ALA H . . 7.520 4.716 4.527 4.887 . 0 0 "[ . 1 . 2]" 1
725 1 33 VAL MG1 1 36 ALA MB . . 8.540 4.364 4.002 4.935 . 0 0 "[ . 1 . 2]" 1
726 1 33 VAL MG2 1 34 GLU H . . 7.520 3.831 3.766 4.209 . 0 0 "[ . 1 . 2]" 1
727 1 33 VAL MG2 1 34 GLU HA . . 7.520 5.361 4.741 5.410 . 0 0 "[ . 1 . 2]" 1
728 1 33 VAL MG2 1 35 ALA H . . 7.520 4.948 4.904 5.062 . 0 0 "[ . 1 . 2]" 1
729 1 33 VAL MG2 1 36 ALA H . . 7.520 5.622 4.810 6.239 . 0 0 "[ . 1 . 2]" 1
730 1 33 VAL MG2 1 36 ALA MB . . 8.540 5.113 4.107 5.316 . 0 0 "[ . 1 . 2]" 1
731 1 34 GLU H 1 34 GLU HB2 . . 3.400 2.343 2.253 2.595 . 0 0 "[ . 1 . 2]" 1
732 1 34 GLU H 1 34 GLU QB . . 3.260 2.219 2.180 2.270 . 0 0 "[ . 1 . 2]" 1
733 1 34 GLU H 1 34 GLU HB3 . . 3.400 2.783 2.507 2.904 . 0 0 "[ . 1 . 2]" 1
734 1 34 GLU H 1 34 GLU QG . . 4.500 3.925 3.837 4.013 . 0 0 "[ . 1 . 2]" 1
735 1 34 GLU H 1 35 ALA H . . 3.400 2.509 2.448 2.535 . 0 0 "[ . 1 . 2]" 1
736 1 34 GLU H 1 35 ALA MB . . 7.520 4.051 3.989 4.154 . 0 0 "[ . 1 . 2]" 1
737 1 34 GLU H 1 36 ALA H . . 4.600 4.429 4.284 4.606 0.006 12 0 "[ . 1 . 2]" 1
738 1 34 GLU H 1 36 ALA MB . . 7.520 5.456 5.271 5.628 . 0 0 "[ . 1 . 2]" 1
739 1 34 GLU H 1 41 ARG QD . . 6.270 5.474 5.217 5.835 . 0 0 "[ . 1 . 2]" 1
740 1 34 GLU HA 1 35 ALA HA . . 5.600 4.741 4.644 4.761 . 0 0 "[ . 1 . 2]" 1
741 1 34 GLU HA 1 35 ALA MB . . 6.620 4.891 4.859 4.928 . 0 0 "[ . 1 . 2]" 1
742 1 34 GLU HA 1 36 ALA H . . 4.600 3.880 3.302 4.125 . 0 0 "[ . 1 . 2]" 1
743 1 34 GLU HA 1 36 ALA MB . . 7.520 4.941 4.688 5.147 . 0 0 "[ . 1 . 2]" 1
744 1 34 GLU HA 1 41 ARG HD2 . . 4.600 3.275 2.880 4.085 . 0 0 "[ . 1 . 2]" 1
745 1 34 GLU HA 1 41 ARG HD3 . . 4.600 4.416 4.203 4.707 0.107 12 0 "[ . 1 . 2]" 1
746 1 34 GLU QB 1 34 GLU QG . . 2.300 2.042 2.018 2.078 . 0 0 "[ . 1 . 2]" 1
747 1 34 GLU QB 1 36 ALA H . . 5.440 4.909 4.590 5.041 . 0 0 "[ . 1 . 2]" 1
748 1 34 GLU QB 1 41 ARG QD . . 7.220 5.005 4.757 5.458 . 0 0 "[ . 1 . 2]" 1
749 1 34 GLU HB2 1 35 ALA H . . 4.600 4.065 3.989 4.217 . 0 0 "[ . 1 . 2]" 1
750 1 34 GLU HB2 1 35 ALA MB . . 7.520 5.356 5.276 5.530 . 0 0 "[ . 1 . 2]" 1
751 1 34 GLU HB3 1 35 ALA H . . 4.600 3.395 3.270 3.511 . 0 0 "[ . 1 . 2]" 1
752 1 34 GLU HB3 1 35 ALA MB . . 7.520 4.403 4.104 4.525 . 0 0 "[ . 1 . 2]" 1
753 1 34 GLU QG 1 35 ALA H . . 6.270 4.477 4.131 4.667 . 0 0 "[ . 1 . 2]" 1
754 1 34 GLU QG 1 36 ALA H . . 6.270 5.265 4.324 5.631 . 0 0 "[ . 1 . 2]" 1
755 1 35 ALA H 1 36 ALA H . . 3.400 2.522 2.468 2.916 . 0 0 "[ . 1 . 2]" 1
756 1 35 ALA H 1 36 ALA MB . . 7.520 4.106 3.855 4.212 . 0 0 "[ . 1 . 2]" 1
757 1 35 ALA HA 1 36 ALA HA . . 6.500 4.642 4.377 4.676 . 0 0 "[ . 1 . 2]" 1
758 1 35 ALA MB 1 36 ALA H . . 5.620 2.921 2.733 3.617 . 0 0 "[ . 1 . 2]" 1
759 1 35 ALA MB 1 36 ALA MB . . 8.540 3.705 3.543 3.823 . 0 0 "[ . 1 . 2]" 1
760 1 35 ALA MB 1 37 PRO QD . . 7.220 5.213 5.150 5.551 . 0 0 "[ . 1 . 2]" 1
761 1 36 ALA H 1 37 PRO QD . . 5.290 4.359 4.323 4.366 . 0 0 "[ . 1 . 2]" 1
762 1 36 ALA H 1 40 THR HB . . 6.500 5.433 5.034 5.744 . 0 0 "[ . 1 . 2]" 1
763 1 36 ALA H 1 40 THR MG . . 7.520 4.825 4.553 5.406 . 0 0 "[ . 1 . 2]" 1
764 1 36 ALA H 1 41 ARG QB . . 7.380 5.627 5.527 5.757 . 0 0 "[ . 1 . 2]" 1
765 1 36 ALA H 1 41 ARG QD . . 5.290 4.120 3.422 4.393 . 0 0 "[ . 1 . 2]" 1
766 1 36 ALA HA 1 37 PRO HD2 . . 3.400 2.516 2.502 2.542 . 0 0 "[ . 1 . 2]" 1
767 1 36 ALA HA 1 37 PRO QD . . 2.680 2.160 2.151 2.176 . 0 0 "[ . 1 . 2]" 1
768 1 36 ALA HA 1 37 PRO HD3 . . 3.400 2.351 2.344 2.365 . 0 0 "[ . 1 . 2]" 1
769 1 36 ALA HA 1 37 PRO HG2 . . 5.600 4.609 4.597 4.630 . 0 0 "[ . 1 . 2]" 1
770 1 36 ALA HA 1 37 PRO HG3 . . 5.600 4.546 4.537 4.563 . 0 0 "[ . 1 . 2]" 1
771 1 36 ALA HA 1 40 THR H . . 6.500 6.240 5.951 6.371 . 0 0 "[ . 1 . 2]" 1
772 1 36 ALA HA 1 40 THR HB . . 5.600 4.062 3.823 4.207 . 0 0 "[ . 1 . 2]" 1
773 1 36 ALA MB 1 37 PRO QB . . 6.800 4.423 4.391 4.454 . 0 0 "[ . 1 . 2]" 1
774 1 36 ALA MB 1 37 PRO HD2 . . 5.620 2.035 1.962 2.082 . 0 0 "[ . 1 . 2]" 1
775 1 36 ALA MB 1 37 PRO HD3 . . 5.620 3.117 3.063 3.155 . 0 0 "[ . 1 . 2]" 1
776 1 36 ALA MB 1 37 PRO HG2 . . 7.520 3.660 3.589 3.703 . 0 0 "[ . 1 . 2]" 1
777 1 36 ALA MB 1 37 PRO HG3 . . 7.520 4.321 4.283 4.344 . 0 0 "[ . 1 . 2]" 1
778 1 36 ALA MB 1 40 THR H . . 7.520 4.331 4.113 4.491 . 0 0 "[ . 1 . 2]" 1
779 1 36 ALA MB 1 40 THR HB . . 5.620 2.198 1.916 2.425 . 0 0 "[ . 1 . 2]" 1
780 1 36 ALA MB 1 40 THR MG . . 8.540 1.987 1.823 2.358 . 0 0 "[ . 1 . 2]" 1
781 1 36 ALA MB 1 41 ARG H . . 6.620 3.110 2.893 3.279 . 0 0 "[ . 1 . 2]" 1
782 1 36 ALA MB 1 41 ARG HA . . 7.520 3.247 3.069 3.455 . 0 0 "[ . 1 . 2]" 1
783 1 36 ALA MB 1 41 ARG QB . . 7.210 3.929 3.843 4.008 . 0 0 "[ . 1 . 2]" 1
784 1 36 ALA MB 1 41 ARG QD . . 7.210 3.775 3.547 3.899 . 0 0 "[ . 1 . 2]" 1
785 1 36 ALA MB 1 41 ARG QG . . 8.400 2.459 2.244 2.800 . 0 0 "[ . 1 . 2]" 1
786 1 37 PRO HA 1 38 GLU HA . . 4.600 4.313 4.306 4.320 . 0 0 "[ . 1 . 2]" 1
787 1 37 PRO HA 1 39 GLU H . . 5.600 4.985 4.630 5.146 . 0 0 "[ . 1 . 2]" 1
788 1 37 PRO HA 1 40 THR H . . 5.600 5.097 5.000 5.188 . 0 0 "[ . 1 . 2]" 1
789 1 37 PRO HA 1 41 ARG QD . . 6.270 3.824 3.581 3.995 . 0 0 "[ . 1 . 2]" 1
790 1 37 PRO QB 1 39 GLU H . . 5.440 3.048 2.707 3.190 . 0 0 "[ . 1 . 2]" 1
791 1 37 PRO QB 1 40 THR H . . 4.400 3.258 3.150 3.362 . 0 0 "[ . 1 . 2]" 1
792 1 37 PRO QB 1 41 ARG H . . 5.440 4.411 4.323 4.502 . 0 0 "[ . 1 . 2]" 1
793 1 37 PRO HB2 1 40 THR H . . 4.600 3.321 3.205 3.435 . 0 0 "[ . 1 . 2]" 1
794 1 37 PRO HB2 1 40 THR HB . . 6.500 4.181 4.051 4.626 . 0 0 "[ . 1 . 2]" 1
795 1 37 PRO HB2 1 41 ARG QG . . 7.380 5.731 5.372 6.250 . 0 0 "[ . 1 . 2]" 1
796 1 37 PRO HB3 1 40 THR H . . 4.600 4.720 4.641 4.784 0.184 11 0 "[ . 1 . 2]" 1
797 1 37 PRO HB3 1 40 THR HB . . 6.500 4.782 4.671 5.130 . 0 0 "[ . 1 . 2]" 1
798 1 37 PRO HB3 1 41 ARG QG . . 7.380 6.155 5.787 6.691 . 0 0 "[ . 1 . 2]" 1
799 1 37 PRO QD 1 40 THR H . . 4.500 3.801 3.539 3.896 . 0 0 "[ . 1 . 2]" 1
800 1 37 PRO HD2 1 40 THR HB . . 4.600 1.949 1.921 1.987 . 0 0 "[ . 1 . 2]" 1
801 1 37 PRO HD2 1 40 THR MG . . 7.520 2.693 2.565 3.035 . 0 0 "[ . 1 . 2]" 1
802 1 37 PRO HD3 1 40 THR HB . . 4.600 3.617 3.566 3.716 . 0 0 "[ . 1 . 2]" 1
803 1 37 PRO HD3 1 40 THR MG . . 7.520 4.083 3.990 4.373 . 0 0 "[ . 1 . 2]" 1
804 1 37 PRO QG 1 39 GLU H . . 4.500 3.918 3.502 4.069 . 0 0 "[ . 1 . 2]" 1
805 1 37 PRO QG 1 39 GLU HA . . 6.280 5.375 5.135 5.460 . 0 0 "[ . 1 . 2]" 1
806 1 37 PRO QG 1 40 THR H . . 4.500 2.179 2.041 2.235 . 0 0 "[ . 1 . 2]" 1
807 1 37 PRO QG 1 40 THR HB . . 5.440 2.214 2.053 2.687 . 0 0 "[ . 1 . 2]" 1
808 1 37 PRO QG 1 40 THR MG . . 7.210 3.490 3.399 3.741 . 0 0 "[ . 1 . 2]" 1
809 1 37 PRO QG 1 41 ARG H . . 6.280 3.664 3.539 3.790 . 0 0 "[ . 1 . 2]" 1
810 1 37 PRO QG 1 41 ARG QG . . 7.090 4.995 4.695 5.463 . 0 0 "[ . 1 . 2]" 1
811 1 38 GLU H 1 39 GLU H . . 5.600 2.885 2.777 2.967 . 0 0 "[ . 1 . 2]" 1
812 1 38 GLU H 1 39 GLU QB . . 7.380 4.599 4.418 5.105 . 0 0 "[ . 1 . 2]" 1
813 1 38 GLU H 1 40 THR H . . 5.600 4.365 4.145 4.660 . 0 0 "[ . 1 . 2]" 1
814 1 38 GLU HA 1 40 THR H . . 5.600 4.808 4.581 5.079 . 0 0 "[ . 1 . 2]" 1
815 1 38 GLU HA 1 41 ARG H . . 4.600 3.642 3.526 3.775 . 0 0 "[ . 1 . 2]" 1
816 1 38 GLU HA 1 41 ARG QB . . 3.320 2.464 2.371 2.603 . 0 0 "[ . 1 . 2]" 1
817 1 38 GLU HA 1 41 ARG HD2 . . 5.600 3.777 3.225 4.143 . 0 0 "[ . 1 . 2]" 1
818 1 38 GLU HA 1 41 ARG HD3 . . 5.600 2.746 2.534 2.981 . 0 0 "[ . 1 . 2]" 1
819 1 38 GLU HA 1 41 ARG QG . . 7.380 4.087 3.835 4.345 . 0 0 "[ . 1 . 2]" 1
820 1 38 GLU HA 1 42 ALA H . . 4.600 4.204 4.050 4.304 . 0 0 "[ . 1 . 2]" 1
821 1 38 GLU QG 1 42 ALA H . . 5.440 4.857 4.231 5.452 0.012 17 0 "[ . 1 . 2]" 1
822 1 39 GLU H 1 40 THR H . . 4.600 2.974 2.904 3.028 . 0 0 "[ . 1 . 2]" 1
823 1 39 GLU H 1 40 THR HA . . 6.500 5.505 5.441 5.544 . 0 0 "[ . 1 . 2]" 1
824 1 39 GLU H 1 41 ARG H . . 6.500 4.260 4.000 4.393 . 0 0 "[ . 1 . 2]" 1
825 1 39 GLU H 1 41 ARG QD . . 6.270 5.616 5.382 5.783 . 0 0 "[ . 1 . 2]" 1
826 1 39 GLU H 1 42 ALA H . . 6.500 4.852 4.772 4.895 . 0 0 "[ . 1 . 2]" 1
827 1 39 GLU H 1 42 ALA MB . . 7.520 4.840 4.637 4.971 . 0 0 "[ . 1 . 2]" 1
828 1 39 GLU HA 1 40 THR HA . . 6.500 4.799 4.782 4.818 . 0 0 "[ . 1 . 2]" 1
829 1 39 GLU HA 1 42 ALA H . . 6.500 3.667 3.602 3.757 . 0 0 "[ . 1 . 2]" 1
830 1 39 GLU HA 1 42 ALA MB . . 5.620 2.978 2.692 3.102 . 0 0 "[ . 1 . 2]" 1
831 1 39 GLU QB 1 40 THR H . . 7.380 2.492 2.213 3.223 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLU QB 1 40 THR HA . . 7.380 3.789 3.639 4.157 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLU QB 1 40 THR MG . . 8.400 5.026 4.779 5.504 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLU QB 1 42 ALA MB . . 8.400 4.496 4.191 4.735 . 0 0 "[ . 1 . 2]" 1
835 1 39 GLU QG 1 40 THR H . . 5.440 3.846 1.892 4.312 . 0 0 "[ . 1 . 2]" 1
836 1 39 GLU QG 1 42 ALA MB . . 7.210 4.387 3.873 5.320 . 0 0 "[ . 1 . 2]" 1
837 1 39 GLU QG 1 43 LEU QD . . 8.330 3.704 2.252 4.858 . 0 0 "[ . 1 . 2]" 1
838 1 40 THR H 1 40 THR HB . . 3.400 2.584 2.525 2.741 . 0 0 "[ . 1 . 2]" 1
839 1 40 THR H 1 41 ARG H . . 3.400 2.781 2.711 2.863 . 0 0 "[ . 1 . 2]" 1
840 1 40 THR H 1 41 ARG HA . . 5.600 5.355 5.300 5.421 . 0 0 "[ . 1 . 2]" 1
841 1 40 THR H 1 41 ARG QB . . 5.440 4.496 4.398 4.604 . 0 0 "[ . 1 . 2]" 1
842 1 40 THR H 1 41 ARG HD2 . . 6.500 6.447 6.023 6.522 0.022 5 0 "[ . 1 . 2]" 1
843 1 40 THR H 1 41 ARG HD3 . . 6.500 6.331 6.085 6.518 0.018 12 0 "[ . 1 . 2]" 1
844 1 40 THR H 1 41 ARG QG . . 7.380 5.191 4.998 5.459 . 0 0 "[ . 1 . 2]" 1
845 1 40 THR H 1 42 ALA H . . 4.600 4.271 4.130 4.538 . 0 0 "[ . 1 . 2]" 1
846 1 40 THR H 1 43 LEU QD . . 7.370 3.705 3.318 4.641 . 0 0 "[ . 1 . 2]" 1
847 1 40 THR H 1 43 LEU HG . . 5.600 5.218 4.626 5.630 0.030 1 0 "[ . 1 . 2]" 1
848 1 40 THR H 1 44 TYR H . . 6.500 5.940 5.867 6.113 . 0 0 "[ . 1 . 2]" 1
849 1 40 THR H 1 44 TYR QB . . 7.520 6.464 5.966 6.911 . 0 0 "[ . 1 . 2]" 1
850 1 40 THR HA 1 42 ALA H . . 5.600 4.337 4.177 4.588 . 0 0 "[ . 1 . 2]" 1
851 1 40 THR HA 1 42 ALA MB . . 7.520 4.888 4.768 5.040 . 0 0 "[ . 1 . 2]" 1
852 1 40 THR HA 1 43 LEU H . . 4.600 3.493 3.424 3.583 . 0 0 "[ . 1 . 2]" 1
853 1 40 THR HA 1 43 LEU HA . . 6.500 5.505 5.301 5.634 . 0 0 "[ . 1 . 2]" 1
854 1 40 THR HA 1 43 LEU QB . . 4.500 2.897 2.418 3.158 . 0 0 "[ . 1 . 2]" 1
855 1 40 THR HA 1 43 LEU QD . . 5.470 2.203 1.890 3.152 . 0 0 "[ . 1 . 2]" 1
856 1 40 THR HA 1 43 LEU HG . . 5.600 3.720 3.011 4.096 . 0 0 "[ . 1 . 2]" 1
857 1 40 THR HB 1 41 ARG H . . 3.400 2.537 2.404 2.673 . 0 0 "[ . 1 . 2]" 1
858 1 40 THR HB 1 41 ARG QG . . 7.380 3.924 3.699 4.174 . 0 0 "[ . 1 . 2]" 1
859 1 40 THR HB 1 42 ALA H . . 5.600 5.032 4.855 5.277 . 0 0 "[ . 1 . 2]" 1
860 1 40 THR HB 1 43 LEU H . . 5.600 5.683 5.578 5.790 0.190 19 0 "[ . 1 . 2]" 1
861 1 40 THR HB 1 43 LEU QD . . 7.370 4.641 4.322 5.491 . 0 0 "[ . 1 . 2]" 1
862 1 40 THR MG 1 41 ARG H . . 6.620 3.422 3.260 3.742 . 0 0 "[ . 1 . 2]" 1
863 1 40 THR MG 1 41 ARG HA . . 7.520 3.489 3.346 3.855 . 0 0 "[ . 1 . 2]" 1
864 1 40 THR MG 1 41 ARG QG . . 8.400 3.987 3.714 4.375 . 0 0 "[ . 1 . 2]" 1
865 1 40 THR MG 1 42 ALA H . . 7.520 4.970 4.791 5.330 . 0 0 "[ . 1 . 2]" 1
866 1 40 THR MG 1 43 LEU H . . 6.620 4.675 4.602 4.774 . 0 0 "[ . 1 . 2]" 1
867 1 41 ARG H 1 41 ARG QB . . 3.260 2.171 2.102 2.246 . 0 0 "[ . 1 . 2]" 1
868 1 41 ARG H 1 41 ARG HD2 . . 5.600 4.328 4.027 4.435 . 0 0 "[ . 1 . 2]" 1
869 1 41 ARG H 1 41 ARG HD3 . . 5.600 4.088 3.879 4.274 . 0 0 "[ . 1 . 2]" 1
870 1 41 ARG H 1 42 ALA H . . 3.400 2.782 2.725 2.844 . 0 0 "[ . 1 . 2]" 1
871 1 41 ARG H 1 42 ALA MB . . 6.620 4.398 4.324 4.450 . 0 0 "[ . 1 . 2]" 1
872 1 41 ARG H 1 43 LEU H . . 5.600 4.415 4.220 4.541 . 0 0 "[ . 1 . 2]" 1
873 1 41 ARG H 1 43 LEU QD . . 7.370 4.758 4.426 5.569 . 0 0 "[ . 1 . 2]" 1
874 1 41 ARG HA 1 42 ALA HA . . 6.500 4.780 4.763 4.808 . 0 0 "[ . 1 . 2]" 1
875 1 41 ARG HA 1 43 LEU H . . 5.600 4.748 4.555 4.852 . 0 0 "[ . 1 . 2]" 1
876 1 41 ARG HA 1 44 TYR H . . 4.600 3.788 3.702 3.930 . 0 0 "[ . 1 . 2]" 1
877 1 41 ARG QB 1 42 ALA H . . 3.360 2.661 2.485 2.761 . 0 0 "[ . 1 . 2]" 1
878 1 41 ARG QB 1 42 ALA MB . . 7.210 3.815 3.752 3.887 . 0 0 "[ . 1 . 2]" 1
879 1 41 ARG QB 1 45 ARG H . . 5.440 4.621 4.476 4.745 . 0 0 "[ . 1 . 2]" 1
880 1 41 ARG HB2 1 42 ALA H . . 4.600 2.834 2.625 3.003 . 0 0 "[ . 1 . 2]" 1
881 1 41 ARG HB3 1 42 ALA H . . 4.600 3.234 3.016 3.469 . 0 0 "[ . 1 . 2]" 1
882 1 41 ARG QD 1 42 ALA H . . 6.270 4.733 4.566 4.837 . 0 0 "[ . 1 . 2]" 1
883 1 41 ARG QG 1 42 ALA H . . 7.380 4.381 4.282 4.457 . 0 0 "[ . 1 . 2]" 1
884 1 41 ARG QG 1 43 LEU H . . 7.380 6.096 5.941 6.163 . 0 0 "[ . 1 . 2]" 1
885 1 42 ALA H 1 43 LEU H . . 3.400 2.727 2.679 2.804 . 0 0 "[ . 1 . 2]" 1
886 1 42 ALA H 1 43 LEU HA . . 5.600 5.315 5.272 5.377 . 0 0 "[ . 1 . 2]" 1
887 1 42 ALA H 1 43 LEU QB . . 6.270 4.777 4.391 4.926 . 0 0 "[ . 1 . 2]" 1
888 1 42 ALA H 1 43 LEU QD . . 7.370 4.412 4.151 5.161 . 0 0 "[ . 1 . 2]" 1
889 1 42 ALA H 1 44 TYR H . . 4.600 4.206 4.053 4.437 . 0 0 "[ . 1 . 2]" 1
890 1 42 ALA H 1 46 GLU H . . 6.500 5.814 5.764 5.918 . 0 0 "[ . 1 . 2]" 1
891 1 42 ALA HA 1 43 LEU HG . . 6.500 5.335 5.147 6.030 . 0 0 "[ . 1 . 2]" 1
892 1 42 ALA MB 1 43 LEU H . . 5.620 2.428 2.320 2.588 . 0 0 "[ . 1 . 2]" 1
893 1 42 ALA MB 1 43 LEU QD . . 8.330 3.491 2.528 3.923 . 0 0 "[ . 1 . 2]" 1
894 1 42 ALA MB 1 43 LEU HG . . 7.520 3.125 2.873 3.825 . 0 0 "[ . 1 . 2]" 1
895 1 42 ALA MB 1 44 TYR H . . 7.520 4.560 4.455 4.714 . 0 0 "[ . 1 . 2]" 1
896 1 42 ALA MB 1 45 ARG H . . 7.520 4.943 4.845 5.040 . 0 0 "[ . 1 . 2]" 1
897 1 42 ALA MB 1 46 GLU H . . 7.520 4.713 4.621 4.786 . 0 0 "[ . 1 . 2]" 1
898 1 42 ALA MB 1 46 GLU QB . . 7.210 4.005 3.768 4.339 . 0 0 "[ . 1 . 2]" 1
899 1 42 ALA MB 1 46 GLU QG . . 7.210 4.984 3.315 5.613 . 0 0 "[ . 1 . 2]" 1
900 1 43 LEU H 1 43 LEU HB2 . . 3.400 2.605 2.203 2.710 . 0 0 "[ . 1 . 2]" 1
901 1 43 LEU H 1 43 LEU HB3 . . 3.400 3.562 3.507 3.575 0.175 9 0 "[ . 1 . 2]" 1
902 1 43 LEU H 1 43 LEU HG . . 2.800 2.101 1.912 2.833 0.033 5 0 "[ . 1 . 2]" 1
903 1 43 LEU H 1 44 TYR H . . 3.400 2.766 2.697 2.856 . 0 0 "[ . 1 . 2]" 1
904 1 43 LEU H 1 46 GLU H . . 5.600 4.601 4.533 4.665 . 0 0 "[ . 1 . 2]" 1
905 1 43 LEU H 1 46 GLU QB . . 5.440 4.365 4.283 4.465 . 0 0 "[ . 1 . 2]" 1
906 1 43 LEU HA 1 46 GLU H . . 4.600 3.580 3.468 3.772 . 0 0 "[ . 1 . 2]" 1
907 1 43 LEU HA 1 46 GLU QB . . 6.270 2.404 2.195 2.608 . 0 0 "[ . 1 . 2]" 1
908 1 43 LEU HA 1 46 GLU QG . . 6.270 3.924 3.061 4.398 . 0 0 "[ . 1 . 2]" 1
909 1 43 LEU HA 1 47 TYR H . . 4.600 4.060 3.882 4.245 . 0 0 "[ . 1 . 2]" 1
910 1 43 LEU QB 1 44 TYR HA . . 4.500 3.785 3.754 3.808 . 0 0 "[ . 1 . 2]" 1
911 1 43 LEU QB 1 47 TYR H . . 5.440 4.722 4.591 4.876 . 0 0 "[ . 1 . 2]" 1
912 1 43 LEU HB2 1 44 TYR H . . 4.600 2.448 2.296 2.604 . 0 0 "[ . 1 . 2]" 1
913 1 43 LEU HB3 1 44 TYR H . . 4.600 3.574 3.018 3.778 . 0 0 "[ . 1 . 2]" 1
914 1 43 LEU QD 1 44 TYR H . . 7.370 3.716 3.553 4.021 . 0 0 "[ . 1 . 2]" 1
915 1 43 LEU QD 1 44 TYR QE . . 8.230 4.520 3.868 7.766 . 0 0 "[ . 1 . 2]" 1
916 1 43 LEU HG 1 44 TYR H . . 6.500 4.209 3.931 4.704 . 0 0 "[ . 1 . 2]" 1
917 1 44 TYR HA 1 46 GLU H . . 6.500 4.043 3.959 4.100 . 0 0 "[ . 1 . 2]" 1
918 1 44 TYR HA 1 48 ARG QD . . 7.380 5.907 3.156 7.050 . 0 0 "[ . 1 . 2]" 1
919 1 44 TYR QE 1 45 ARG QB . . 9.520 7.074 4.131 7.753 . 0 0 "[ . 1 . 2]" 1
920 1 44 TYR QE 1 47 TYR QB . . 9.510 6.104 5.904 6.668 . 0 0 "[ . 1 . 2]" 1
921 1 45 ARG H 1 45 ARG QB . . 3.260 2.165 2.101 2.250 . 0 0 "[ . 1 . 2]" 1
922 1 45 ARG H 1 46 GLU H . . 3.400 2.651 2.600 2.747 . 0 0 "[ . 1 . 2]" 1
923 1 45 ARG H 1 46 GLU QB . . 5.440 4.398 4.323 4.500 . 0 0 "[ . 1 . 2]" 1
924 1 45 ARG H 1 47 TYR H . . 5.600 4.780 4.661 4.891 . 0 0 "[ . 1 . 2]" 1
925 1 45 ARG HA 1 46 GLU H . . 3.400 3.460 3.450 3.465 0.065 20 0 "[ . 1 . 2]" 1
926 1 45 ARG QB 1 46 GLU H . . 3.360 2.942 2.927 2.976 . 0 0 "[ . 1 . 2]" 1
927 1 45 ARG QB 1 46 GLU QG . . 7.090 5.187 3.860 5.783 . 0 0 "[ . 1 . 2]" 1
928 1 45 ARG QB 1 49 THR HA . . 7.380 6.172 5.829 6.582 . 0 0 "[ . 1 . 2]" 1
929 1 45 ARG QG 1 46 GLU H . . 7.380 4.428 4.377 4.555 . 0 0 "[ . 1 . 2]" 1
930 1 45 ARG QG 1 46 GLU QG . . 8.260 6.613 5.210 7.205 . 0 0 "[ . 1 . 2]" 1
931 1 45 ARG QG 1 48 ARG QB . . 7.090 3.707 3.412 4.004 . 0 0 "[ . 1 . 2]" 1
932 1 46 GLU H 1 46 GLU QB . . 3.260 2.206 2.074 2.253 . 0 0 "[ . 1 . 2]" 1
933 1 46 GLU H 1 46 GLU QG . . 4.500 3.758 3.009 4.022 . 0 0 "[ . 1 . 2]" 1
934 1 46 GLU H 1 47 TYR H . . 3.400 2.787 2.696 2.871 . 0 0 "[ . 1 . 2]" 1
935 1 46 GLU H 1 47 TYR QB . . 7.380 4.544 4.471 4.778 . 0 0 "[ . 1 . 2]" 1
936 1 46 GLU H 1 48 ARG H . . 5.600 3.646 3.604 3.690 . 0 0 "[ . 1 . 2]" 1
937 1 46 GLU H 1 48 ARG QB . . 6.270 4.327 4.258 4.428 . 0 0 "[ . 1 . 2]" 1
938 1 46 GLU H 1 49 THR HB . . 5.600 5.308 5.149 5.452 . 0 0 "[ . 1 . 2]" 1
939 1 46 GLU HA 1 50 LEU QD . . 7.370 3.521 3.025 5.034 . 0 0 "[ . 1 . 2]" 1
940 1 46 GLU QB 1 47 TYR HA . . 5.480 4.077 3.695 4.251 . 0 0 "[ . 1 . 2]" 1
941 1 46 GLU QB 1 47 TYR QB . . 7.080 3.649 3.521 3.759 . 0 0 "[ . 1 . 2]" 1
942 1 46 GLU QB 1 48 ARG H . . 5.440 4.263 4.164 4.359 . 0 0 "[ . 1 . 2]" 1
943 1 46 GLU QB 1 49 THR H . . 6.480 5.056 4.928 5.149 . 0 0 "[ . 1 . 2]" 1
944 1 46 GLU QB 1 49 THR HB . . 6.270 5.232 5.085 5.297 . 0 0 "[ . 1 . 2]" 1
945 1 46 GLU QB 1 50 LEU H . . 6.480 5.300 4.982 5.446 . 0 0 "[ . 1 . 2]" 1
946 1 46 GLU QG 1 47 TYR H . . 5.440 3.422 2.928 4.266 . 0 0 "[ . 1 . 2]" 1
947 1 46 GLU QG 1 49 THR HB . . 6.270 4.918 4.602 5.516 . 0 0 "[ . 1 . 2]" 1
948 1 46 GLU HG2 1 50 LEU HG . . 6.500 5.222 4.313 6.335 . 0 0 "[ . 1 . 2]" 1
949 1 46 GLU HG3 1 50 LEU HG . . 6.500 5.083 3.696 6.486 . 0 0 "[ . 1 . 2]" 1
950 1 47 TYR H 1 48 ARG H . . 3.400 2.547 2.496 2.586 . 0 0 "[ . 1 . 2]" 1
951 1 47 TYR H 1 48 ARG HA . . 6.500 5.160 5.121 5.200 . 0 0 "[ . 1 . 2]" 1
952 1 47 TYR H 1 49 THR H . . 5.600 4.323 4.271 4.401 . 0 0 "[ . 1 . 2]" 1
953 1 47 TYR H 1 49 THR HB . . 5.600 5.628 5.532 5.649 0.049 10 0 "[ . 1 . 2]" 1
954 1 47 TYR H 1 50 LEU QB . . 5.440 4.736 4.631 4.979 . 0 0 "[ . 1 . 2]" 1
955 1 47 TYR H 1 50 LEU QD . . 7.370 4.683 3.941 5.987 . 0 0 "[ . 1 . 2]" 1
956 1 47 TYR HA 1 48 ARG H . . 3.400 3.467 3.463 3.473 0.073 17 0 "[ . 1 . 2]" 1
957 1 47 TYR HA 1 48 ARG QG . . 7.380 6.332 5.458 6.681 . 0 0 "[ . 1 . 2]" 1
958 1 47 TYR HA 1 50 LEU H . . 4.600 3.558 3.472 3.689 . 0 0 "[ . 1 . 2]" 1
959 1 47 TYR HA 1 50 LEU QB . . 3.360 2.650 2.554 2.891 . 0 0 "[ . 1 . 2]" 1
960 1 47 TYR HA 1 50 LEU QD . . 5.550 3.510 2.417 4.466 . 0 0 "[ . 1 . 2]" 1
961 1 47 TYR HA 1 50 LEU HG . . 6.500 4.697 3.938 5.615 . 0 0 "[ . 1 . 2]" 1
962 1 47 TYR HA 1 51 LYS H . . 5.600 3.662 3.548 3.759 . 0 0 "[ . 1 . 2]" 1
963 1 47 TYR HA 1 51 LYS HA . . 6.500 5.732 5.640 5.870 . 0 0 "[ . 1 . 2]" 1
964 1 47 TYR HA 1 51 LYS QD . . 7.380 6.012 4.828 6.848 . 0 0 "[ . 1 . 2]" 1
965 1 47 TYR QB 1 48 ARG H . . 5.480 2.925 2.871 3.502 . 0 0 "[ . 1 . 2]" 1
966 1 47 TYR QB 1 48 ARG QB . . 7.080 4.165 3.972 4.793 . 0 0 "[ . 1 . 2]" 1
967 1 47 TYR QB 1 50 LEU MD1 . . 8.400 5.429 4.073 6.757 . 0 0 "[ . 1 . 2]" 1
968 1 47 TYR QB 1 50 LEU QD . . 8.210 4.812 4.028 5.654 . 0 0 "[ . 1 . 2]" 1
969 1 47 TYR QB 1 50 LEU MD2 . . 8.400 5.882 5.018 6.619 . 0 0 "[ . 1 . 2]" 1
970 1 47 TYR QB 1 51 LYS QD . . 8.260 5.460 3.978 6.693 . 0 0 "[ . 1 . 2]" 1
971 1 47 TYR QB 1 51 LYS QE . . 8.260 6.358 5.106 7.791 . 0 0 "[ . 1 . 2]" 1
972 1 47 TYR QD 1 51 LYS HA . . 8.630 5.593 5.105 5.824 . 0 0 "[ . 1 . 2]" 1
973 1 47 TYR QD 1 51 LYS QD . . 9.510 3.934 2.368 5.587 . 0 0 "[ . 1 . 2]" 1
974 1 47 TYR QD 1 51 LYS QE . . 8.230 4.767 3.213 6.461 . 0 0 "[ . 1 . 2]" 1
975 1 47 TYR QD 1 52 ARG QG . . 9.520 6.374 5.864 7.675 . 0 0 "[ . 1 . 2]" 1
976 1 47 TYR QE 1 48 ARG QB . . 8.230 6.250 3.204 7.031 . 0 0 "[ . 1 . 2]" 1
977 1 47 TYR QE 1 50 LEU QB . . 8.230 5.333 5.034 6.874 . 0 0 "[ . 1 . 2]" 1
978 1 47 TYR QE 1 51 LYS HA . . 8.630 5.428 4.891 7.026 . 0 0 "[ . 1 . 2]" 1
979 1 47 TYR QE 1 51 LYS QB . . 9.510 3.421 3.008 4.240 . 0 0 "[ . 1 . 2]" 1
980 1 47 TYR QE 1 51 LYS QD . . 9.520 3.559 2.272 5.526 . 0 0 "[ . 1 . 2]" 1
981 1 47 TYR QE 1 51 LYS QE . . 6.490 3.929 2.110 5.438 . 0 0 "[ . 1 . 2]" 1
982 1 48 ARG H 1 48 ARG QB . . 3.260 2.209 2.101 2.269 . 0 0 "[ . 1 . 2]" 1
983 1 48 ARG H 1 48 ARG QG . . 4.500 3.779 2.748 4.045 . 0 0 "[ . 1 . 2]" 1
984 1 48 ARG H 1 50 LEU H . . 5.600 3.918 3.815 4.052 . 0 0 "[ . 1 . 2]" 1
985 1 48 ARG H 1 50 LEU QD . . 7.370 5.141 4.754 6.048 . 0 0 "[ . 1 . 2]" 1
986 1 48 ARG H 1 51 LYS QB . . 7.380 4.753 4.651 5.308 . 0 0 "[ . 1 . 2]" 1
987 1 48 ARG HA 1 49 THR HA . . 4.600 4.742 4.719 4.779 0.179 12 0 "[ . 1 . 2]" 1
988 1 48 ARG HA 1 50 LEU H . . 5.600 4.496 4.336 4.707 . 0 0 "[ . 1 . 2]" 1
989 1 48 ARG HA 1 51 LYS H . . 4.600 3.692 3.607 3.868 . 0 0 "[ . 1 . 2]" 1
990 1 48 ARG HA 1 51 LYS QB . . 7.380 2.957 2.719 3.856 . 0 0 "[ . 1 . 2]" 1
991 1 48 ARG HA 1 51 LYS QD . . 7.380 3.892 2.129 4.622 . 0 0 "[ . 1 . 2]" 1
992 1 48 ARG HA 1 51 LYS QG . . 7.380 4.500 2.078 5.005 . 0 0 "[ . 1 . 2]" 1
993 1 48 ARG HA 1 52 ARG QB . . 5.440 4.566 4.512 4.618 . 0 0 "[ . 1 . 2]" 1
994 1 48 ARG HA 1 52 ARG QD . . 6.270 5.162 3.130 5.877 . 0 0 "[ . 1 . 2]" 1
995 1 48 ARG QB 1 48 ARG QG . . 2.340 2.012 1.971 2.038 . 0 0 "[ . 1 . 2]" 1
996 1 48 ARG QB 1 49 THR HA . . 4.500 4.088 3.772 4.344 . 0 0 "[ . 1 . 2]" 1
997 1 48 ARG QB 1 50 LEU H . . 6.270 4.658 4.542 4.763 . 0 0 "[ . 1 . 2]" 1
998 1 48 ARG QB 1 52 ARG QD . . 7.090 5.447 4.135 6.046 . 0 0 "[ . 1 . 2]" 1
999 1 48 ARG QB 1 52 ARG QG . . 6.040 4.053 3.310 5.220 . 0 0 "[ . 1 . 2]" 1
1000 1 48 ARG HB2 1 49 THR MG . . 7.520 6.471 5.654 6.769 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ARG HB3 1 49 THR MG . . 7.520 5.474 5.249 5.668 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ARG QD 1 49 THR H . . 7.380 4.199 2.454 5.289 . 0 0 "[ . 1 . 2]" 1
1003 1 48 ARG QD 1 49 THR HA . . 7.380 4.586 2.461 6.315 . 0 0 "[ . 1 . 2]" 1
1004 1 48 ARG QD 1 52 ARG H . . 7.380 5.100 3.667 6.386 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ARG QG 1 49 THR H . . 5.440 3.912 3.237 4.480 . 0 0 "[ . 1 . 2]" 1
1006 1 48 ARG QG 1 49 THR HA . . 6.270 4.386 3.306 5.819 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ARG QG 1 51 LYS QD . . 7.090 5.072 3.324 6.120 . 0 0 "[ . 1 . 2]" 1
1008 1 49 THR H 1 49 THR HB . . 3.400 2.478 2.449 2.495 . 0 0 "[ . 1 . 2]" 1
1009 1 49 THR H 1 50 LEU H . . 3.400 2.561 2.501 2.664 . 0 0 "[ . 1 . 2]" 1
1010 1 49 THR H 1 50 LEU QB . . 5.440 4.341 4.223 4.603 . 0 0 "[ . 1 . 2]" 1
1011 1 49 THR H 1 50 LEU QD . . 7.370 4.449 3.883 5.342 . 0 0 "[ . 1 . 2]" 1
1012 1 49 THR H 1 51 LYS H . . 5.600 4.101 3.964 4.205 . 0 0 "[ . 1 . 2]" 1
1013 1 49 THR H 1 51 LYS QB . . 7.380 5.058 4.884 5.736 . 0 0 "[ . 1 . 2]" 1
1014 1 49 THR H 1 52 ARG QG . . 7.380 4.954 4.757 6.033 . 0 0 "[ . 1 . 2]" 1
1015 1 49 THR HA 1 51 LYS H . . 4.600 4.557 4.416 4.651 0.051 12 0 "[ . 1 . 2]" 1
1016 1 49 THR HA 1 52 ARG H . . 4.600 3.635 3.495 3.840 . 0 0 "[ . 1 . 2]" 1
1017 1 49 THR HA 1 52 ARG HB2 . . 6.500 2.672 2.398 2.919 . 0 0 "[ . 1 . 2]" 1
1018 1 49 THR HA 1 52 ARG HB3 . . 6.500 4.173 3.832 4.476 . 0 0 "[ . 1 . 2]" 1
1019 1 49 THR HA 1 52 ARG QG . . 6.270 3.790 3.411 4.488 . 0 0 "[ . 1 . 2]" 1
1020 1 49 THR HA 1 53 THR HA . . 6.500 5.817 5.618 6.081 . 0 0 "[ . 1 . 2]" 1
1021 1 49 THR HB 1 50 LEU H . . 3.400 2.705 2.559 2.818 . 0 0 "[ . 1 . 2]" 1
1022 1 49 THR HB 1 50 LEU QB . . 5.440 4.321 3.968 4.622 . 0 0 "[ . 1 . 2]" 1
1023 1 49 THR HB 1 50 LEU QD . . 5.470 3.493 2.728 4.560 . 0 0 "[ . 1 . 2]" 1
1024 1 49 THR HB 1 51 LYS H . . 5.600 5.110 5.013 5.221 . 0 0 "[ . 1 . 2]" 1
1025 1 49 THR MG 1 50 LEU H . . 6.620 3.489 3.338 3.592 . 0 0 "[ . 1 . 2]" 1
1026 1 49 THR MG 1 50 LEU HA . . 7.520 3.502 3.353 3.626 . 0 0 "[ . 1 . 2]" 1
1027 1 50 LEU H 1 50 LEU QB . . 2.760 2.148 2.050 2.379 . 0 0 "[ . 1 . 2]" 1
1028 1 50 LEU H 1 50 LEU HG . . 4.600 3.668 2.442 4.566 . 0 0 "[ . 1 . 2]" 1
1029 1 50 LEU H 1 51 LYS H . . 4.600 2.566 2.516 2.695 . 0 0 "[ . 1 . 2]" 1
1030 1 50 LEU H 1 51 LYS QB . . 7.380 4.371 4.295 4.707 . 0 0 "[ . 1 . 2]" 1
1031 1 50 LEU H 1 52 ARG H . . 5.600 3.990 3.715 4.259 . 0 0 "[ . 1 . 2]" 1
1032 1 50 LEU HA 1 52 ARG H . . 6.500 4.490 4.110 4.801 . 0 0 "[ . 1 . 2]" 1
1033 1 50 LEU HA 1 54 THR HB . . 4.600 4.510 4.235 4.616 0.016 7 0 "[ . 1 . 2]" 1
1034 1 50 LEU QD 1 51 LYS H . . 6.510 3.954 3.382 4.095 . 0 0 "[ . 1 . 2]" 1
1035 1 50 LEU QD 1 51 LYS HA . . 7.370 4.714 3.120 5.089 . 0 0 "[ . 1 . 2]" 1
1036 1 50 LEU QD 1 51 LYS QB . . 8.200 4.820 3.954 5.041 . 0 0 "[ . 1 . 2]" 1
1037 1 50 LEU QD 1 51 LYS QG . . 8.210 5.822 4.669 6.191 . 0 0 "[ . 1 . 2]" 1
1038 1 50 LEU QD 1 52 ARG H . . 7.370 5.276 4.758 5.696 . 0 0 "[ . 1 . 2]" 1
1039 1 50 LEU QD 1 53 THR HB . . 7.370 4.453 3.302 5.604 . 0 0 "[ . 1 . 2]" 1
1040 1 50 LEU QD 1 54 THR H . . 7.370 4.341 3.288 5.078 . 0 0 "[ . 1 . 2]" 1
1041 1 50 LEU QD 1 54 THR HB . . 7.370 4.118 2.498 4.983 . 0 0 "[ . 1 . 2]" 1
1042 1 50 LEU QD 1 54 THR MG . . 8.330 4.146 2.377 4.934 . 0 0 "[ . 1 . 2]" 1
1043 1 50 LEU QD 1 56 GLN H . . 7.370 6.483 4.566 7.382 0.012 15 0 "[ . 1 . 2]" 1
1044 1 50 LEU QD 1 56 GLN QG . . 8.200 7.151 4.187 8.203 0.003 8 0 "[ . 1 . 2]" 1
1045 1 50 LEU HG 1 51 LYS H . . 6.500 4.904 4.425 5.176 . 0 0 "[ . 1 . 2]" 1
1046 1 50 LEU HG 1 51 LYS HA . . 6.500 6.326 5.707 6.543 0.043 17 0 "[ . 1 . 2]" 1
1047 1 50 LEU HG 1 51 LYS QB . . 7.380 6.224 5.840 6.491 . 0 0 "[ . 1 . 2]" 1
1048 1 50 LEU HG 1 54 THR MG . . 7.520 6.247 4.951 7.345 . 0 0 "[ . 1 . 2]" 1
1049 1 51 LYS H 1 52 ARG H . . 4.600 2.565 2.467 2.728 . 0 0 "[ . 1 . 2]" 1
1050 1 51 LYS HA 1 52 ARG HA . . 5.600 4.747 4.677 4.838 . 0 0 "[ . 1 . 2]" 1
1051 1 51 LYS HA 1 56 GLN H . . 5.600 3.906 2.483 5.607 0.007 11 0 "[ . 1 . 2]" 1
1052 1 51 LYS HA 1 56 GLN HA . . 6.500 5.357 3.444 6.521 0.021 6 0 "[ . 1 . 2]" 1
1053 1 51 LYS HA 1 56 GLN QG . . 7.380 5.834 3.473 7.394 0.014 6 0 "[ . 1 . 2]" 1
1054 1 51 LYS QB 1 52 ARG H . . 6.480 2.693 2.366 3.586 . 0 0 "[ . 1 . 2]" 1
1055 1 51 LYS QB 1 52 ARG HA . . 7.380 4.198 4.026 4.624 . 0 0 "[ . 1 . 2]" 1
1056 1 51 LYS QB 1 52 ARG QB . . 7.080 4.387 4.107 5.107 . 0 0 "[ . 1 . 2]" 1
1057 1 51 LYS QD 1 55 GLY QA . . 7.090 5.196 3.884 6.949 . 0 0 "[ . 1 . 2]" 1
1058 1 51 LYS QE 1 52 ARG H . . 6.270 5.234 3.914 5.944 . 0 0 "[ . 1 . 2]" 1
1059 1 51 LYS QG 1 52 ARG H . . 7.380 3.704 2.230 4.337 . 0 0 "[ . 1 . 2]" 1
1060 1 51 LYS QG 1 56 GLN H . . 7.380 4.172 2.280 6.520 . 0 0 "[ . 1 . 2]" 1
1061 1 51 LYS QG 1 56 GLN QB . . 7.090 4.455 1.936 6.801 . 0 0 "[ . 1 . 2]" 1
1062 1 52 ARG H 1 53 THR H . . 5.600 2.602 2.336 2.911 . 0 0 "[ . 1 . 2]" 1
1063 1 52 ARG QB 1 53 THR HB . . 6.270 4.607 4.024 5.308 . 0 0 "[ . 1 . 2]" 1
1064 1 52 ARG HB2 1 53 THR MG . . 7.520 4.982 3.330 5.800 . 0 0 "[ . 1 . 2]" 1
1065 1 52 ARG HB3 1 53 THR MG . . 7.520 5.205 3.433 5.774 . 0 0 "[ . 1 . 2]" 1
1066 1 52 ARG QD 1 55 GLY QA . . 8.260 5.627 4.105 7.512 . 0 0 "[ . 1 . 2]" 1
1067 1 53 THR HB 1 55 GLY H . . 5.600 5.136 4.475 5.697 0.097 6 0 "[ . 1 . 2]" 1
1068 1 54 THR H 1 56 GLN H . . 4.600 4.411 4.001 4.785 0.185 6 0 "[ . 1 . 2]" 1
1069 1 54 THR HA 1 55 GLY HA2 . . 6.500 5.062 4.468 5.267 . 0 0 "[ . 1 . 2]" 1
1070 1 54 THR HA 1 55 GLY HA3 . . 6.500 4.694 4.446 5.323 . 0 0 "[ . 1 . 2]" 1
1071 1 54 THR HB 1 55 GLY H . . 5.600 3.089 2.112 4.464 . 0 0 "[ . 1 . 2]" 1
1072 1 54 THR HB 1 55 GLY HA2 . . 6.500 5.082 4.115 6.215 . 0 0 "[ . 1 . 2]" 1
1073 1 54 THR HB 1 55 GLY HA3 . . 6.500 5.058 3.923 6.038 . 0 0 "[ . 1 . 2]" 1
1074 1 54 THR HB 1 56 GLN H . . 5.600 3.807 2.520 4.836 . 0 0 "[ . 1 . 2]" 1
1075 1 54 THR HB 1 56 GLN QG . . 7.380 6.007 4.022 7.348 . 0 0 "[ . 1 . 2]" 1
1076 1 54 THR MG 1 56 GLN QG . . 8.400 4.252 1.997 5.463 . 0 0 "[ . 1 . 2]" 1
1077 1 55 GLY H 1 56 GLN H . . 5.600 2.725 2.096 3.621 . 0 0 "[ . 1 . 2]" 1
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