NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415615 |
2dbk   |
10301 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dbk
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 1050
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 22.110
_Distance_constraint_stats_list.Viol_max 0.064
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0056
_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 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 6 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.009 0.004 3 0 "[ . 1 . 2]"
1 19 ALA 0.005 0.003 11 0 "[ . 1 . 2]"
1 20 LYS 0.005 0.003 19 0 "[ . 1 . 2]"
1 21 ALA 0.009 0.003 5 0 "[ . 1 . 2]"
1 22 ILE 0.016 0.002 13 0 "[ . 1 . 2]"
1 23 GLN 0.020 0.005 2 0 "[ . 1 . 2]"
1 24 LYS 0.005 0.003 18 0 "[ . 1 . 2]"
1 25 ARG 0.024 0.008 1 0 "[ . 1 . 2]"
1 26 VAL 0.008 0.003 18 0 "[ . 1 . 2]"
1 27 PRO 0.037 0.016 12 0 "[ . 1 . 2]"
1 28 CYS 0.011 0.005 18 0 "[ . 1 . 2]"
1 29 ALA 0.001 0.001 16 0 "[ . 1 . 2]"
1 30 TYR 0.001 0.001 16 0 "[ . 1 . 2]"
1 31 ASP 0.014 0.010 11 0 "[ . 1 . 2]"
1 32 LYS 0.066 0.045 7 0 "[ . 1 . 2]"
1 33 THR 0.027 0.015 7 0 "[ . 1 . 2]"
1 34 ALA 0.012 0.005 18 0 "[ . 1 . 2]"
1 35 LEU 0.040 0.011 11 0 "[ . 1 . 2]"
1 36 ALA 0.040 0.016 12 0 "[ . 1 . 2]"
1 37 LEU 0.039 0.008 1 0 "[ . 1 . 2]"
1 38 GLU 0.069 0.034 15 0 "[ . 1 . 2]"
1 39 VAL 0.004 0.002 18 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.011 0.003 5 0 "[ . 1 . 2]"
1 42 ILE 0.002 0.002 1 0 "[ . 1 . 2]"
1 43 VAL 0.016 0.004 19 0 "[ . 1 . 2]"
1 44 LYS 0.003 0.003 11 0 "[ . 1 . 2]"
1 45 VAL 0.022 0.004 19 0 "[ . 1 . 2]"
1 46 THR 0.006 0.003 20 0 "[ . 1 . 2]"
1 47 ARG 0.005 0.003 11 0 "[ . 1 . 2]"
1 48 MET 0.001 0.001 7 0 "[ . 1 . 2]"
1 49 ASN 0.003 0.003 1 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.060 0.036 20 0 "[ . 1 . 2]"
1 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.028 0.009 16 0 "[ . 1 . 2]"
1 54 TRP 0.019 0.009 16 0 "[ . 1 . 2]"
1 55 GLU 0.007 0.003 11 0 "[ . 1 . 2]"
1 56 GLY 0.022 0.012 18 0 "[ . 1 . 2]"
1 57 GLU 0.091 0.064 18 0 "[ . 1 . 2]"
1 58 VAL 0.033 0.017 11 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLY 0.014 0.014 11 0 "[ . 1 . 2]"
1 61 ARG 0.126 0.064 18 0 "[ . 1 . 2]"
1 62 LYS 0.070 0.017 11 0 "[ . 1 . 2]"
1 63 GLY 0.046 0.012 18 0 "[ . 1 . 2]"
1 64 LEU 0.037 0.013 11 0 "[ . 1 . 2]"
1 65 PHE 0.044 0.013 11 0 "[ . 1 . 2]"
1 66 PRO 0.002 0.002 20 0 "[ . 1 . 2]"
1 67 PHE 0.001 0.001 20 0 "[ . 1 . 2]"
1 68 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 HIS 0.013 0.005 2 0 "[ . 1 . 2]"
1 70 VAL 0.012 0.003 19 0 "[ . 1 . 2]"
1 71 LYS 0.002 0.002 14 0 "[ . 1 . 2]"
1 72 ILE 0.003 0.002 2 0 "[ . 1 . 2]"
1 73 PHE 0.068 0.008 5 0 "[ . 1 . 2]"
1 74 ASP 0.034 0.011 10 0 "[ . 1 . 2]"
1 75 PRO 0.066 0.008 5 0 "[ . 1 . 2]"
1 76 GLN 0.220 0.024 19 0 "[ . 1 . 2]"
1 77 ASN 0.066 0.028 12 0 "[ . 1 . 2]"
1 78 PRO 0.329 0.030 17 0 "[ . 1 . 2]"
1 79 ASP 0.042 0.030 17 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASN 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 8 PRO HA 1 9 LEU H . . 3.040 2.475 2.296 2.700 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO QG 1 9 LEU H . . 4.350 4.038 3.643 4.349 . 0 0 "[ . 1 . 2]" 1
3 1 9 LEU H 1 9 LEU QB . . 3.280 2.640 2.145 3.144 . 0 0 "[ . 1 . 2]" 1
4 1 9 LEU H 1 9 LEU HG . . 3.860 3.042 1.912 3.860 0.000 6 0 "[ . 1 . 2]" 1
5 1 9 LEU H 1 10 PRO QD . . 4.700 4.331 4.237 4.376 . 0 0 "[ . 1 . 2]" 1
6 1 9 LEU HA 1 9 LEU QD . . 3.590 2.754 1.907 3.423 . 0 0 "[ . 1 . 2]" 1
7 1 9 LEU HA 1 10 PRO HD2 . . 3.420 2.312 2.177 2.447 . 0 0 "[ . 1 . 2]" 1
8 1 9 LEU HA 1 10 PRO QD . . 2.930 2.042 1.971 2.117 . 0 0 "[ . 1 . 2]" 1
9 1 9 LEU HA 1 10 PRO HD3 . . 3.420 2.275 2.253 2.319 . 0 0 "[ . 1 . 2]" 1
10 1 9 LEU QB 1 10 PRO QD . . 3.730 2.202 1.978 2.553 . 0 0 "[ . 1 . 2]" 1
11 1 9 LEU QD 1 10 PRO QD . . 3.710 2.689 1.879 3.445 . 0 0 "[ . 1 . 2]" 1
12 1 9 LEU MD1 1 10 PRO HD2 . . 5.500 3.419 1.911 4.656 . 0 0 "[ . 1 . 2]" 1
13 1 9 LEU MD1 1 10 PRO HD3 . . 5.500 4.511 2.925 5.383 . 0 0 "[ . 1 . 2]" 1
14 1 9 LEU MD2 1 10 PRO HD2 . . 5.500 3.680 1.927 4.716 . 0 0 "[ . 1 . 2]" 1
15 1 9 LEU MD2 1 10 PRO HD3 . . 5.500 4.483 2.758 5.499 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLY QA 1 16 PRO QD . . 2.560 1.957 1.908 2.035 . 0 0 "[ . 1 . 2]" 1
17 1 15 GLY QA 1 16 PRO QG . . 4.020 3.674 3.659 3.700 . 0 0 "[ . 1 . 2]" 1
18 1 15 GLY HA2 1 16 PRO QD . . 2.930 2.314 2.002 2.649 . 0 0 "[ . 1 . 2]" 1
19 1 15 GLY HA3 1 16 PRO QD . . 2.930 2.323 1.956 2.723 . 0 0 "[ . 1 . 2]" 1
20 1 16 PRO HA 1 17 VAL H . . 3.060 2.253 2.151 2.370 . 0 0 "[ . 1 . 2]" 1
21 1 16 PRO HA 1 17 VAL MG2 . . 4.520 3.594 3.335 3.786 . 0 0 "[ . 1 . 2]" 1
22 1 16 PRO QB 1 17 VAL H . . 3.540 2.935 2.608 3.384 . 0 0 "[ . 1 . 2]" 1
23 1 16 PRO QB 1 44 LYS QG . . 3.480 2.785 2.254 3.179 . 0 0 "[ . 1 . 2]" 1
24 1 16 PRO QB 1 45 VAL MG1 . . 5.110 4.356 3.329 4.864 . 0 0 "[ . 1 . 2]" 1
25 1 16 PRO QB 1 46 THR MG . . 4.160 2.875 2.114 3.810 . 0 0 "[ . 1 . 2]" 1
26 1 16 PRO HB2 1 17 VAL H . . 4.070 3.078 2.691 3.621 . 0 0 "[ . 1 . 2]" 1
27 1 16 PRO HB2 1 44 LYS QE . . 4.820 3.420 2.665 4.433 . 0 0 "[ . 1 . 2]" 1
28 1 16 PRO HB2 1 44 LYS QG . . 4.030 2.878 2.296 3.333 . 0 0 "[ . 1 . 2]" 1
29 1 16 PRO HB3 1 17 VAL H . . 4.070 3.717 3.495 4.061 . 0 0 "[ . 1 . 2]" 1
30 1 16 PRO HB3 1 44 LYS QE . . 4.820 3.378 2.532 4.624 . 0 0 "[ . 1 . 2]" 1
31 1 16 PRO HB3 1 44 LYS QG . . 4.030 3.741 3.286 4.010 . 0 0 "[ . 1 . 2]" 1
32 1 16 PRO QG 1 17 VAL H . . 4.880 4.439 4.219 4.689 . 0 0 "[ . 1 . 2]" 1
33 1 16 PRO QG 1 18 PHE QD . . 4.790 4.156 3.606 4.434 . 0 0 "[ . 1 . 2]" 1
34 1 16 PRO QG 1 18 PHE QE . . 4.490 2.733 2.016 3.356 . 0 0 "[ . 1 . 2]" 1
35 1 16 PRO QG 1 18 PHE HZ . . 4.850 3.075 2.349 4.236 . 0 0 "[ . 1 . 2]" 1
36 1 16 PRO QG 1 44 LYS QE . . 4.100 2.926 1.943 3.924 . 0 0 "[ . 1 . 2]" 1
37 1 16 PRO QG 1 44 LYS QG . . 4.350 3.394 2.649 4.317 . 0 0 "[ . 1 . 2]" 1
38 1 17 VAL H 1 17 VAL HB . . 3.950 2.527 2.434 2.648 . 0 0 "[ . 1 . 2]" 1
39 1 17 VAL H 1 17 VAL MG2 . . 3.670 2.446 2.148 2.658 . 0 0 "[ . 1 . 2]" 1
40 1 17 VAL H 1 18 PHE H . . 4.940 4.527 4.432 4.607 . 0 0 "[ . 1 . 2]" 1
41 1 17 VAL H 1 45 VAL H . . 4.580 4.283 3.806 4.578 . 0 0 "[ . 1 . 2]" 1
42 1 17 VAL H 1 45 VAL MG1 . . 4.540 3.248 2.631 3.669 . 0 0 "[ . 1 . 2]" 1
43 1 17 VAL HA 1 17 VAL MG1 . . 3.450 2.364 2.268 2.466 . 0 0 "[ . 1 . 2]" 1
44 1 17 VAL HA 1 17 VAL MG2 . . 3.400 2.346 2.248 2.478 . 0 0 "[ . 1 . 2]" 1
45 1 17 VAL HA 1 18 PHE H . . 2.950 2.179 2.142 2.239 . 0 0 "[ . 1 . 2]" 1
46 1 17 VAL HA 1 18 PHE QD . . 4.630 3.822 3.159 4.577 . 0 0 "[ . 1 . 2]" 1
47 1 17 VAL HB 1 18 PHE H . . 4.290 4.074 3.892 4.283 . 0 0 "[ . 1 . 2]" 1
48 1 17 VAL HB 1 45 VAL MG1 . . 4.100 2.452 2.031 2.908 . 0 0 "[ . 1 . 2]" 1
49 1 17 VAL MG1 1 18 PHE H . . 3.610 2.293 2.037 2.614 . 0 0 "[ . 1 . 2]" 1
50 1 17 VAL MG1 1 18 PHE HA . . 4.710 3.733 3.474 3.909 . 0 0 "[ . 1 . 2]" 1
51 1 17 VAL MG1 1 45 VAL MG1 . . 3.580 3.100 2.843 3.501 . 0 0 "[ . 1 . 2]" 1
52 1 17 VAL MG1 1 72 ILE MD . . 3.250 2.156 1.779 2.693 . 0 0 "[ . 1 . 2]" 1
53 1 17 VAL MG1 1 72 ILE HG12 . . 4.830 4.587 4.128 4.802 . 0 0 "[ . 1 . 2]" 1
54 1 17 VAL MG1 1 72 ILE QG . . 4.150 3.695 3.250 4.084 . 0 0 "[ . 1 . 2]" 1
55 1 17 VAL MG1 1 72 ILE HG13 . . 4.830 3.909 3.353 4.421 . 0 0 "[ . 1 . 2]" 1
56 1 17 VAL MG2 1 18 PHE H . . 4.260 3.982 3.886 4.148 . 0 0 "[ . 1 . 2]" 1
57 1 18 PHE H 1 18 PHE HB2 . . 3.920 2.482 2.339 2.612 . 0 0 "[ . 1 . 2]" 1
58 1 18 PHE H 1 18 PHE QB . . 3.350 2.444 2.311 2.566 . 0 0 "[ . 1 . 2]" 1
59 1 18 PHE H 1 18 PHE HB3 . . 3.920 3.679 3.595 3.760 . 0 0 "[ . 1 . 2]" 1
60 1 18 PHE H 1 18 PHE QD . . 4.000 2.950 2.541 3.503 . 0 0 "[ . 1 . 2]" 1
61 1 18 PHE H 1 19 ALA H . . 4.840 4.440 4.331 4.555 . 0 0 "[ . 1 . 2]" 1
62 1 18 PHE H 1 72 ILE MD . . 5.480 4.436 3.847 4.995 . 0 0 "[ . 1 . 2]" 1
63 1 18 PHE H 1 72 ILE MG . . 4.640 4.350 3.751 4.642 0.002 2 0 "[ . 1 . 2]" 1
64 1 18 PHE HA 1 18 PHE QD . . 4.120 2.738 2.237 3.084 . 0 0 "[ . 1 . 2]" 1
65 1 18 PHE HA 1 19 ALA H . . 3.050 2.185 2.141 2.299 . 0 0 "[ . 1 . 2]" 1
66 1 18 PHE HA 1 19 ALA MB . . 4.820 3.880 3.770 3.991 . 0 0 "[ . 1 . 2]" 1
67 1 18 PHE HA 1 42 ILE MG . . 4.400 3.554 3.104 3.941 . 0 0 "[ . 1 . 2]" 1
68 1 18 PHE HA 1 44 LYS HA . . 3.830 2.993 2.606 3.386 . 0 0 "[ . 1 . 2]" 1
69 1 18 PHE HA 1 45 VAL H . . 4.080 3.595 3.196 3.974 . 0 0 "[ . 1 . 2]" 1
70 1 18 PHE HA 1 45 VAL MG1 . . 4.190 3.732 3.342 4.131 . 0 0 "[ . 1 . 2]" 1
71 1 18 PHE QB 1 19 ALA H . . 3.550 3.057 2.645 3.285 . 0 0 "[ . 1 . 2]" 1
72 1 18 PHE QB 1 42 ILE MG . . 3.640 2.516 1.962 2.925 . 0 0 "[ . 1 . 2]" 1
73 1 18 PHE QB 1 75 PRO QD . . 4.550 3.359 2.175 3.963 . 0 0 "[ . 1 . 2]" 1
74 1 18 PHE HB2 1 19 ALA H . . 4.280 4.178 3.829 4.280 . 0 0 "[ . 1 . 2]" 1
75 1 18 PHE HB2 1 42 ILE MG . . 4.380 3.950 3.368 4.377 . 0 0 "[ . 1 . 2]" 1
76 1 18 PHE HB3 1 19 ALA H . . 4.280 3.146 2.697 3.414 . 0 0 "[ . 1 . 2]" 1
77 1 18 PHE HB3 1 42 ILE MG . . 4.380 2.546 1.975 2.971 . 0 0 "[ . 1 . 2]" 1
78 1 18 PHE QD 1 19 ALA H . . 4.320 3.843 3.353 4.299 . 0 0 "[ . 1 . 2]" 1
79 1 18 PHE QD 1 42 ILE MG . . 3.530 2.123 1.847 2.909 . 0 0 "[ . 1 . 2]" 1
80 1 18 PHE QD 1 44 LYS HA . . 4.050 3.093 2.416 3.684 . 0 0 "[ . 1 . 2]" 1
81 1 18 PHE QD 1 44 LYS QG . . 4.680 3.648 3.131 4.173 . 0 0 "[ . 1 . 2]" 1
82 1 18 PHE QD 1 75 PRO HD2 . . 5.500 4.920 3.255 5.504 0.004 3 0 "[ . 1 . 2]" 1
83 1 18 PHE QD 1 75 PRO QD . . 4.850 3.984 3.090 4.850 0.000 4 0 "[ . 1 . 2]" 1
84 1 18 PHE QD 1 75 PRO HD3 . . 5.500 4.380 3.455 5.434 . 0 0 "[ . 1 . 2]" 1
85 1 18 PHE QD 1 75 PRO QG . . 4.890 3.137 2.344 3.872 . 0 0 "[ . 1 . 2]" 1
86 1 18 PHE QE 1 44 LYS HB2 . . 4.720 2.512 2.010 3.388 . 0 0 "[ . 1 . 2]" 1
87 1 18 PHE QE 1 44 LYS QB . . 4.070 2.487 1.999 3.296 . 0 0 "[ . 1 . 2]" 1
88 1 18 PHE QE 1 44 LYS HB3 . . 4.720 4.078 3.543 4.564 . 0 0 "[ . 1 . 2]" 1
89 1 18 PHE QE 1 44 LYS QD . . 4.130 3.339 2.683 3.853 . 0 0 "[ . 1 . 2]" 1
90 1 18 PHE QE 1 44 LYS QE . . 5.400 4.030 3.167 4.947 . 0 0 "[ . 1 . 2]" 1
91 1 18 PHE QE 1 44 LYS QG . . 4.590 2.549 1.991 3.427 . 0 0 "[ . 1 . 2]" 1
92 1 18 PHE HZ 1 44 LYS QB . . 4.680 4.322 3.262 4.666 . 0 0 "[ . 1 . 2]" 1
93 1 18 PHE HZ 1 44 LYS QD . . 4.660 4.088 3.347 4.639 . 0 0 "[ . 1 . 2]" 1
94 1 18 PHE HZ 1 44 LYS QE . . 5.500 4.022 2.218 5.485 . 0 0 "[ . 1 . 2]" 1
95 1 18 PHE HZ 1 44 LYS QG . . 4.760 3.284 2.368 3.981 . 0 0 "[ . 1 . 2]" 1
96 1 19 ALA H 1 19 ALA MB . . 3.510 2.555 2.379 2.802 . 0 0 "[ . 1 . 2]" 1
97 1 19 ALA H 1 42 ILE MG . . 3.780 3.205 2.523 3.680 . 0 0 "[ . 1 . 2]" 1
98 1 19 ALA H 1 43 VAL H . . 3.320 3.065 2.627 3.321 0.001 19 0 "[ . 1 . 2]" 1
99 1 19 ALA H 1 43 VAL HB . . 4.090 3.488 2.926 3.959 . 0 0 "[ . 1 . 2]" 1
100 1 19 ALA H 1 43 VAL MG1 . . 5.190 4.541 3.891 5.025 . 0 0 "[ . 1 . 2]" 1
101 1 19 ALA H 1 43 VAL MG2 . . 5.500 4.456 4.191 4.715 . 0 0 "[ . 1 . 2]" 1
102 1 19 ALA H 1 44 LYS HA . . 4.340 4.027 3.678 4.343 0.003 11 0 "[ . 1 . 2]" 1
103 1 19 ALA H 1 45 VAL H . . 4.900 4.557 4.147 4.897 . 0 0 "[ . 1 . 2]" 1
104 1 19 ALA H 1 45 VAL MG1 . . 4.630 4.025 3.583 4.586 . 0 0 "[ . 1 . 2]" 1
105 1 19 ALA HA 1 20 LYS H . . 3.510 2.147 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
106 1 19 ALA HA 1 72 ILE HA . . 3.580 2.816 2.321 3.035 . 0 0 "[ . 1 . 2]" 1
107 1 19 ALA HA 1 72 ILE MD . . 5.140 3.229 2.605 3.551 . 0 0 "[ . 1 . 2]" 1
108 1 19 ALA HA 1 72 ILE MG . . 4.380 4.201 3.958 4.368 . 0 0 "[ . 1 . 2]" 1
109 1 19 ALA HA 1 73 PHE H . . 3.420 3.095 2.757 3.421 0.001 19 0 "[ . 1 . 2]" 1
110 1 19 ALA HA 1 73 PHE QD . . 3.780 2.804 2.537 3.081 . 0 0 "[ . 1 . 2]" 1
111 1 19 ALA MB 1 20 LYS H . . 3.490 3.194 2.977 3.286 . 0 0 "[ . 1 . 2]" 1
112 1 19 ALA MB 1 43 VAL H . . 4.380 3.867 3.422 4.114 . 0 0 "[ . 1 . 2]" 1
113 1 19 ALA MB 1 43 VAL HB . . 3.440 2.983 2.572 3.426 . 0 0 "[ . 1 . 2]" 1
114 1 19 ALA MB 1 54 TRP HH2 . . 5.140 4.513 3.622 5.068 . 0 0 "[ . 1 . 2]" 1
115 1 19 ALA MB 1 65 PHE HZ . . 5.380 4.003 3.275 4.522 . 0 0 "[ . 1 . 2]" 1
116 1 19 ALA MB 1 70 VAL HA . . 4.550 4.293 3.862 4.542 . 0 0 "[ . 1 . 2]" 1
117 1 19 ALA MB 1 70 VAL HB . . 3.010 2.252 1.959 2.535 . 0 0 "[ . 1 . 2]" 1
118 1 19 ALA MB 1 70 VAL MG1 . . 3.270 3.085 2.826 3.263 . 0 0 "[ . 1 . 2]" 1
119 1 19 ALA MB 1 70 VAL MG2 . . 3.030 2.093 1.789 2.734 . 0 0 "[ . 1 . 2]" 1
120 1 19 ALA MB 1 71 LYS H . . 3.980 3.588 3.196 3.951 . 0 0 "[ . 1 . 2]" 1
121 1 19 ALA MB 1 72 ILE H . . 4.490 4.062 3.658 4.336 . 0 0 "[ . 1 . 2]" 1
122 1 19 ALA MB 1 72 ILE HA . . 3.390 2.830 2.298 3.096 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA MB 1 72 ILE MD . . 2.910 2.020 1.804 2.312 . 0 0 "[ . 1 . 2]" 1
124 1 19 ALA MB 1 72 ILE QG . . 3.690 3.469 2.986 3.690 0.000 9 0 "[ . 1 . 2]" 1
125 1 19 ALA MB 1 73 PHE H . . 4.590 4.089 3.554 4.368 . 0 0 "[ . 1 . 2]" 1
126 1 19 ALA MB 1 73 PHE QD . . 4.500 4.237 3.885 4.500 . 0 0 "[ . 1 . 2]" 1
127 1 20 LYS H 1 20 LYS QB . . 3.640 2.272 2.174 2.509 . 0 0 "[ . 1 . 2]" 1
128 1 20 LYS H 1 20 LYS QG . . 4.330 3.683 2.211 3.989 . 0 0 "[ . 1 . 2]" 1
129 1 20 LYS H 1 70 VAL HB . . 4.580 4.064 3.611 4.556 . 0 0 "[ . 1 . 2]" 1
130 1 20 LYS H 1 71 LYS H . . 4.260 3.776 3.175 4.258 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS H 1 72 ILE HA . . 4.580 4.089 3.682 4.470 . 0 0 "[ . 1 . 2]" 1
132 1 20 LYS H 1 73 PHE H . . 4.440 3.842 3.323 4.400 . 0 0 "[ . 1 . 2]" 1
133 1 20 LYS H 1 73 PHE QD . . 4.540 2.221 1.900 2.766 . 0 0 "[ . 1 . 2]" 1
134 1 20 LYS HA 1 20 LYS QG . . 3.740 2.668 2.354 3.331 . 0 0 "[ . 1 . 2]" 1
135 1 20 LYS HA 1 21 ALA H . . 2.850 2.195 2.141 2.256 . 0 0 "[ . 1 . 2]" 1
136 1 20 LYS HA 1 21 ALA MB . . 4.510 3.959 3.902 4.009 . 0 0 "[ . 1 . 2]" 1
137 1 20 LYS HA 1 42 ILE HA . . 3.730 2.445 2.041 2.706 . 0 0 "[ . 1 . 2]" 1
138 1 20 LYS HA 1 42 ILE MD . . 4.180 2.703 2.029 3.050 . 0 0 "[ . 1 . 2]" 1
139 1 20 LYS HA 1 43 VAL H . . 4.080 3.250 2.904 3.678 . 0 0 "[ . 1 . 2]" 1
140 1 20 LYS HA 1 43 VAL MG2 . . 4.370 3.778 3.338 4.257 . 0 0 "[ . 1 . 2]" 1
141 1 20 LYS QB 1 20 LYS QE . . 4.480 2.637 1.963 3.598 . 0 0 "[ . 1 . 2]" 1
142 1 20 LYS QB 1 42 ILE MD . . 4.060 2.438 1.845 3.234 . 0 0 "[ . 1 . 2]" 1
143 1 20 LYS QB 1 42 ILE QG . . 4.620 4.101 2.857 4.620 . 0 0 "[ . 1 . 2]" 1
144 1 20 LYS QB 1 73 PHE QD . . 4.070 2.929 2.455 3.432 . 0 0 "[ . 1 . 2]" 1
145 1 20 LYS QB 1 73 PHE QE . . 4.690 2.484 1.993 2.909 . 0 0 "[ . 1 . 2]" 1
146 1 20 LYS QB 1 73 PHE HZ . . 4.420 3.652 2.619 4.419 . 0 0 "[ . 1 . 2]" 1
147 1 20 LYS HB2 1 21 ALA H . . 4.700 3.890 3.009 4.311 . 0 0 "[ . 1 . 2]" 1
148 1 20 LYS HB2 1 42 ILE MD . . 4.620 2.530 1.914 3.305 . 0 0 "[ . 1 . 2]" 1
149 1 20 LYS HB2 1 73 PHE QD . . 4.650 3.636 2.891 4.627 . 0 0 "[ . 1 . 2]" 1
150 1 20 LYS HB3 1 21 ALA H . . 4.700 4.181 3.877 4.479 . 0 0 "[ . 1 . 2]" 1
151 1 20 LYS HB3 1 42 ILE MD . . 4.620 3.690 1.897 4.594 . 0 0 "[ . 1 . 2]" 1
152 1 20 LYS HB3 1 73 PHE QD . . 4.650 3.149 2.610 3.789 . 0 0 "[ . 1 . 2]" 1
153 1 20 LYS QD 1 40 GLY QA . . 4.550 3.376 2.089 4.518 . 0 0 "[ . 1 . 2]" 1
154 1 20 LYS QD 1 73 PHE HZ . . 5.340 4.554 3.019 5.317 . 0 0 "[ . 1 . 2]" 1
155 1 20 LYS QE 1 20 LYS QG . . 3.450 2.223 2.056 2.660 . 0 0 "[ . 1 . 2]" 1
156 1 20 LYS QE 1 42 ILE MD . . 4.000 3.063 1.807 3.955 . 0 0 "[ . 1 . 2]" 1
157 1 20 LYS HE2 1 42 ILE MD . . 4.820 3.752 2.396 4.818 . 0 0 "[ . 1 . 2]" 1
158 1 20 LYS HE3 1 42 ILE MD . . 4.820 3.454 1.822 4.822 0.002 1 0 "[ . 1 . 2]" 1
159 1 20 LYS QG 1 21 ALA H . . 3.790 2.671 2.039 3.725 . 0 0 "[ . 1 . 2]" 1
160 1 20 LYS QG 1 22 ILE HA . . 5.240 3.708 3.503 4.095 . 0 0 "[ . 1 . 2]" 1
161 1 20 LYS QG 1 40 GLY H . . 4.580 3.721 3.068 4.577 . 0 0 "[ . 1 . 2]" 1
162 1 20 LYS QG 1 40 GLY QA . . 4.220 3.030 2.277 4.218 . 0 0 "[ . 1 . 2]" 1
163 1 20 LYS QG 1 42 ILE MD . . 3.750 3.209 2.484 3.750 . 0 0 "[ . 1 . 2]" 1
164 1 20 LYS QG 1 70 VAL HB . . 5.500 5.341 4.871 5.503 0.003 19 0 "[ . 1 . 2]" 1
165 1 20 LYS QG 1 73 PHE QE . . 4.790 4.394 3.674 4.769 . 0 0 "[ . 1 . 2]" 1
166 1 21 ALA H 1 21 ALA MB . . 3.080 2.146 2.053 2.250 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA H 1 22 ILE H . . 4.830 4.384 4.296 4.477 . 0 0 "[ . 1 . 2]" 1
168 1 21 ALA H 1 40 GLY H . . 4.480 3.848 3.634 4.213 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA H 1 41 ASP H . . 4.280 2.715 2.297 2.995 . 0 0 "[ . 1 . 2]" 1
170 1 21 ALA H 1 41 ASP HB2 . . 5.060 4.450 3.523 5.060 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA H 1 42 ILE HA . . 4.280 3.700 3.247 4.096 . 0 0 "[ . 1 . 2]" 1
172 1 21 ALA H 1 42 ILE MD . . 4.580 4.047 3.326 4.542 . 0 0 "[ . 1 . 2]" 1
173 1 21 ALA H 1 43 VAL MG2 . . 3.890 3.456 2.976 3.781 . 0 0 "[ . 1 . 2]" 1
174 1 21 ALA HA 1 22 ILE H . . 3.350 2.153 2.142 2.174 . 0 0 "[ . 1 . 2]" 1
175 1 21 ALA MB 1 22 ILE H . . 3.820 3.357 3.241 3.455 . 0 0 "[ . 1 . 2]" 1
176 1 21 ALA MB 1 22 ILE HA . . 5.130 4.347 4.253 4.449 . 0 0 "[ . 1 . 2]" 1
177 1 21 ALA MB 1 23 GLN H . . 4.100 3.358 3.009 3.663 . 0 0 "[ . 1 . 2]" 1
178 1 21 ALA MB 1 24 LYS HA . . 5.190 4.192 3.878 4.377 . 0 0 "[ . 1 . 2]" 1
179 1 21 ALA MB 1 37 LEU HB2 . . 3.770 3.035 2.549 3.367 . 0 0 "[ . 1 . 2]" 1
180 1 21 ALA MB 1 37 LEU HB3 . . 3.570 2.787 2.376 3.187 . 0 0 "[ . 1 . 2]" 1
181 1 21 ALA MB 1 37 LEU MD1 . . 3.450 2.542 2.047 2.999 . 0 0 "[ . 1 . 2]" 1
182 1 21 ALA MB 1 38 GLU H . . 4.280 3.769 3.378 4.281 0.001 15 0 "[ . 1 . 2]" 1
183 1 21 ALA MB 1 38 GLU HA . . 5.500 4.520 4.044 4.731 . 0 0 "[ . 1 . 2]" 1
184 1 21 ALA MB 1 39 VAL HA . . 3.660 3.099 2.501 3.661 0.001 20 0 "[ . 1 . 2]" 1
185 1 21 ALA MB 1 39 VAL MG1 . . 5.290 4.443 3.953 4.940 . 0 0 "[ . 1 . 2]" 1
186 1 21 ALA MB 1 39 VAL QG . . 4.530 3.845 3.469 4.266 . 0 0 "[ . 1 . 2]" 1
187 1 21 ALA MB 1 39 VAL MG2 . . 5.290 4.218 3.840 4.665 . 0 0 "[ . 1 . 2]" 1
188 1 21 ALA MB 1 40 GLY H . . 3.630 2.822 2.049 3.220 . 0 0 "[ . 1 . 2]" 1
189 1 21 ALA MB 1 41 ASP H . . 3.250 2.331 1.861 2.738 . 0 0 "[ . 1 . 2]" 1
190 1 21 ALA MB 1 41 ASP HB2 . . 3.540 3.060 2.343 3.543 0.003 5 0 "[ . 1 . 2]" 1
191 1 21 ALA MB 1 41 ASP HB3 . . 3.980 3.158 2.591 3.855 . 0 0 "[ . 1 . 2]" 1
192 1 21 ALA MB 1 70 VAL HA . . 4.360 4.064 3.837 4.338 . 0 0 "[ . 1 . 2]" 1
193 1 21 ALA MB 1 70 VAL HB . . 4.500 4.382 4.033 4.502 0.002 2 0 "[ . 1 . 2]" 1
194 1 21 ALA MB 1 70 VAL MG1 . . 3.580 2.620 2.303 3.020 . 0 0 "[ . 1 . 2]" 1
195 1 22 ILE H 1 22 ILE MD . . 3.910 3.708 3.633 3.821 . 0 0 "[ . 1 . 2]" 1
196 1 22 ILE H 1 22 ILE HG12 . . 3.870 2.111 1.951 2.312 . 0 0 "[ . 1 . 2]" 1
197 1 22 ILE H 1 22 ILE QG . . 3.310 2.028 1.909 2.272 . 0 0 "[ . 1 . 2]" 1
198 1 22 ILE H 1 22 ILE HG13 . . 3.870 2.706 2.261 3.333 . 0 0 "[ . 1 . 2]" 1
199 1 22 ILE H 1 22 ILE MG . . 3.690 2.551 1.989 2.802 . 0 0 "[ . 1 . 2]" 1
200 1 22 ILE H 1 23 GLN H . . 2.980 2.346 2.210 2.522 . 0 0 "[ . 1 . 2]" 1
201 1 22 ILE H 1 70 VAL HA . . 3.510 2.453 2.210 2.703 . 0 0 "[ . 1 . 2]" 1
202 1 22 ILE H 1 70 VAL HB . . 4.960 4.391 3.801 4.850 . 0 0 "[ . 1 . 2]" 1
203 1 22 ILE H 1 70 VAL MG1 . . 3.920 3.523 2.995 3.785 . 0 0 "[ . 1 . 2]" 1
204 1 22 ILE H 1 71 LYS H . . 4.650 3.588 3.296 4.009 . 0 0 "[ . 1 . 2]" 1
205 1 22 ILE HA 1 22 ILE MD . . 4.250 4.158 4.124 4.179 . 0 0 "[ . 1 . 2]" 1
206 1 22 ILE HA 1 22 ILE MG . . 2.990 2.283 2.126 2.499 . 0 0 "[ . 1 . 2]" 1
207 1 22 ILE HA 1 39 VAL HA . . 4.430 4.210 3.627 4.432 0.002 18 0 "[ . 1 . 2]" 1
208 1 22 ILE HA 1 39 VAL QG . . 3.760 3.272 2.890 3.603 . 0 0 "[ . 1 . 2]" 1
209 1 22 ILE HA 1 40 GLY H . . 4.760 4.060 3.759 4.392 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE HB 1 22 ILE MD . . 3.030 2.277 2.181 2.425 . 0 0 "[ . 1 . 2]" 1
211 1 22 ILE HB 1 23 GLN H . . 4.660 3.900 3.720 4.210 . 0 0 "[ . 1 . 2]" 1
212 1 22 ILE MD 1 23 GLN H . . 4.500 3.939 3.756 4.381 . 0 0 "[ . 1 . 2]" 1
213 1 22 ILE MD 1 23 GLN QB . . 3.960 3.749 3.201 3.962 0.002 12 0 "[ . 1 . 2]" 1
214 1 22 ILE MD 1 69 HIS HA . . 3.890 3.694 3.411 3.891 0.001 1 0 "[ . 1 . 2]" 1
215 1 22 ILE MD 1 70 VAL HA . . 4.580 4.057 3.487 4.434 . 0 0 "[ . 1 . 2]" 1
216 1 22 ILE MD 1 71 LYS H . . 4.620 4.289 3.689 4.605 . 0 0 "[ . 1 . 2]" 1
217 1 22 ILE MD 1 71 LYS HB2 . . 4.470 2.844 2.402 3.748 . 0 0 "[ . 1 . 2]" 1
218 1 22 ILE MD 1 71 LYS QB . . 3.870 2.730 2.292 3.035 . 0 0 "[ . 1 . 2]" 1
219 1 22 ILE MD 1 71 LYS HB3 . . 4.470 4.036 2.312 4.461 . 0 0 "[ . 1 . 2]" 1
220 1 22 ILE MD 1 71 LYS QD . . 4.660 3.795 2.866 4.632 . 0 0 "[ . 1 . 2]" 1
221 1 22 ILE MD 1 71 LYS QE . . 4.230 3.112 2.163 4.225 . 0 0 "[ . 1 . 2]" 1
222 1 22 ILE MD 1 71 LYS QG . . 4.490 4.184 3.777 4.485 . 0 0 "[ . 1 . 2]" 1
223 1 22 ILE QG 1 22 ILE MG . . 3.280 2.189 2.036 2.310 . 0 0 "[ . 1 . 2]" 1
224 1 22 ILE QG 1 23 GLN H . . 3.600 2.229 2.029 2.697 . 0 0 "[ . 1 . 2]" 1
225 1 22 ILE QG 1 23 GLN QB . . 4.350 2.790 2.169 3.171 . 0 0 "[ . 1 . 2]" 1
226 1 22 ILE QG 1 23 GLN QG . . 4.060 2.906 2.040 4.062 0.002 13 0 "[ . 1 . 2]" 1
227 1 22 ILE QG 1 69 HIS HA . . 3.820 3.635 3.468 3.793 . 0 0 "[ . 1 . 2]" 1
228 1 22 ILE QG 1 70 VAL HA . . 3.770 2.672 2.040 2.967 . 0 0 "[ . 1 . 2]" 1
229 1 22 ILE HG12 1 22 ILE MG . . 3.750 2.232 2.063 2.371 . 0 0 "[ . 1 . 2]" 1
230 1 22 ILE HG12 1 23 GLN H . . 4.120 3.166 2.395 3.547 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE HG12 1 69 HIS HA . . 4.480 4.260 3.801 4.465 . 0 0 "[ . 1 . 2]" 1
232 1 22 ILE HG12 1 70 VAL HA . . 4.450 2.715 2.056 3.056 . 0 0 "[ . 1 . 2]" 1
233 1 22 ILE HG13 1 22 ILE MG . . 3.750 3.173 3.127 3.201 . 0 0 "[ . 1 . 2]" 1
234 1 22 ILE HG13 1 23 GLN H . . 4.120 2.295 2.063 2.813 . 0 0 "[ . 1 . 2]" 1
235 1 22 ILE HG13 1 69 HIS HA . . 4.480 3.981 3.688 4.470 . 0 0 "[ . 1 . 2]" 1
236 1 22 ILE HG13 1 70 VAL HA . . 4.450 4.013 3.420 4.452 0.002 15 0 "[ . 1 . 2]" 1
237 1 22 ILE MG 1 23 GLN H . . 4.450 4.047 3.680 4.173 . 0 0 "[ . 1 . 2]" 1
238 1 22 ILE MG 1 70 VAL HA . . 3.960 3.487 2.441 3.854 . 0 0 "[ . 1 . 2]" 1
239 1 22 ILE MG 1 71 LYS H . . 3.730 2.949 2.329 3.597 . 0 0 "[ . 1 . 2]" 1
240 1 22 ILE MG 1 71 LYS HB2 . . 3.880 2.347 2.020 3.668 . 0 0 "[ . 1 . 2]" 1
241 1 22 ILE MG 1 71 LYS QB . . 3.190 2.138 1.941 2.417 . 0 0 "[ . 1 . 2]" 1
242 1 22 ILE MG 1 71 LYS HB3 . . 3.880 2.595 2.223 2.937 . 0 0 "[ . 1 . 2]" 1
243 1 22 ILE MG 1 71 LYS QD . . 4.170 3.202 2.045 4.165 . 0 0 "[ . 1 . 2]" 1
244 1 22 ILE MG 1 71 LYS QE . . 4.310 3.007 2.141 4.299 . 0 0 "[ . 1 . 2]" 1
245 1 22 ILE MG 1 71 LYS QG . . 3.980 3.719 2.365 3.982 0.002 14 0 "[ . 1 . 2]" 1
246 1 23 GLN H 1 23 GLN QB . . 3.440 2.480 2.349 2.629 . 0 0 "[ . 1 . 2]" 1
247 1 23 GLN H 1 23 GLN QG . . 4.900 3.463 3.031 4.285 . 0 0 "[ . 1 . 2]" 1
248 1 23 GLN H 1 24 LYS H . . 4.970 4.457 4.370 4.514 . 0 0 "[ . 1 . 2]" 1
249 1 23 GLN H 1 39 VAL HA . . 4.760 4.404 4.057 4.752 . 0 0 "[ . 1 . 2]" 1
250 1 23 GLN H 1 39 VAL QG . . 4.160 3.895 3.615 4.160 . 0 0 "[ . 1 . 2]" 1
251 1 23 GLN H 1 69 HIS HA . . 5.100 4.499 4.192 4.839 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLN H 1 69 HIS QB . . 5.050 4.279 3.726 5.055 0.005 2 0 "[ . 1 . 2]" 1
253 1 23 GLN H 1 70 VAL HA . . 4.510 4.114 3.833 4.506 . 0 0 "[ . 1 . 2]" 1
254 1 23 GLN H 1 70 VAL MG1 . . 4.640 4.328 3.733 4.641 0.001 2 0 "[ . 1 . 2]" 1
255 1 23 GLN HA 1 39 VAL QG . . 3.290 2.569 2.301 2.828 . 0 0 "[ . 1 . 2]" 1
256 1 23 GLN QB 1 24 LYS HA . . 5.500 4.419 4.101 4.760 . 0 0 "[ . 1 . 2]" 1
257 1 23 GLN QB 1 39 VAL QG . . 5.190 4.007 3.734 4.291 . 0 0 "[ . 1 . 2]" 1
258 1 23 GLN QB 1 69 HIS HA . . 3.590 3.289 2.754 3.584 . 0 0 "[ . 1 . 2]" 1
259 1 23 GLN QB 1 69 HIS QB . . 5.200 3.506 2.864 4.241 . 0 0 "[ . 1 . 2]" 1
260 1 23 GLN QG 1 69 HIS HA . . 4.810 4.204 3.306 4.813 0.003 7 0 "[ . 1 . 2]" 1
261 1 24 LYS H 1 39 VAL QG . . 3.970 2.657 2.176 3.480 . 0 0 "[ . 1 . 2]" 1
262 1 24 LYS HA 1 24 LYS QD . . 4.500 3.916 3.757 4.058 . 0 0 "[ . 1 . 2]" 1
263 1 24 LYS HA 1 24 LYS HG2 . . 4.250 3.101 2.670 3.411 . 0 0 "[ . 1 . 2]" 1
264 1 24 LYS HA 1 24 LYS QG . . 3.710 2.363 2.213 2.493 . 0 0 "[ . 1 . 2]" 1
265 1 24 LYS HA 1 24 LYS HG3 . . 4.250 2.461 2.281 2.630 . 0 0 "[ . 1 . 2]" 1
266 1 24 LYS HA 1 25 ARG H . . 2.930 2.154 2.141 2.207 . 0 0 "[ . 1 . 2]" 1
267 1 24 LYS HA 1 38 GLU HA . . 3.920 2.963 2.493 3.429 . 0 0 "[ . 1 . 2]" 1
268 1 24 LYS HA 1 39 VAL H . . 4.380 3.013 2.441 3.762 . 0 0 "[ . 1 . 2]" 1
269 1 24 LYS HA 1 39 VAL QG . . 4.120 2.776 2.143 3.462 . 0 0 "[ . 1 . 2]" 1
270 1 24 LYS QB 1 24 LYS QD . . 3.320 2.141 2.081 2.231 . 0 0 "[ . 1 . 2]" 1
271 1 24 LYS QB 1 39 VAL QG . . 3.530 2.124 1.822 2.752 . 0 0 "[ . 1 . 2]" 1
272 1 24 LYS HB2 1 24 LYS QE . . 4.650 3.775 2.926 4.223 . 0 0 "[ . 1 . 2]" 1
273 1 24 LYS HB3 1 24 LYS QE . . 4.650 3.386 2.045 4.258 . 0 0 "[ . 1 . 2]" 1
274 1 24 LYS QD 1 25 ARG H . . 5.270 4.885 4.560 5.199 . 0 0 "[ . 1 . 2]" 1
275 1 24 LYS QD 1 26 VAL QG . . 3.750 3.340 2.749 3.753 0.003 18 0 "[ . 1 . 2]" 1
276 1 24 LYS QD 1 38 GLU HA . . 4.720 4.069 3.636 4.718 . 0 0 "[ . 1 . 2]" 1
277 1 24 LYS QE 1 24 LYS QG . . 3.450 2.234 2.084 2.436 . 0 0 "[ . 1 . 2]" 1
278 1 24 LYS QE 1 26 VAL QG . . 3.190 2.656 1.855 3.191 0.001 1 0 "[ . 1 . 2]" 1
279 1 24 LYS QG 1 25 ARG H . . 3.480 2.882 2.427 3.211 . 0 0 "[ . 1 . 2]" 1
280 1 24 LYS QG 1 26 VAL QG . . 3.400 2.487 2.172 3.201 . 0 0 "[ . 1 . 2]" 1
281 1 24 LYS QG 1 38 GLU HA . . 4.270 2.480 2.039 2.865 . 0 0 "[ . 1 . 2]" 1
282 1 24 LYS QG 1 38 GLU QB . . 4.210 3.703 3.262 4.211 0.001 15 0 "[ . 1 . 2]" 1
283 1 24 LYS HG2 1 25 ARG H . . 3.980 3.274 2.474 3.872 . 0 0 "[ . 1 . 2]" 1
284 1 24 LYS HG3 1 25 ARG H . . 3.980 3.279 2.793 3.723 . 0 0 "[ . 1 . 2]" 1
285 1 25 ARG H 1 25 ARG HB2 . . 4.200 2.646 2.196 3.187 . 0 0 "[ . 1 . 2]" 1
286 1 25 ARG H 1 25 ARG QB . . 3.510 2.351 2.174 2.471 . 0 0 "[ . 1 . 2]" 1
287 1 25 ARG H 1 25 ARG HB3 . . 4.200 2.886 2.339 3.586 . 0 0 "[ . 1 . 2]" 1
288 1 25 ARG H 1 25 ARG HG2 . . 5.290 4.271 3.146 4.765 . 0 0 "[ . 1 . 2]" 1
289 1 25 ARG H 1 25 ARG QG . . 4.600 3.833 3.036 4.147 . 0 0 "[ . 1 . 2]" 1
290 1 25 ARG H 1 25 ARG HG3 . . 5.290 4.432 3.995 4.832 . 0 0 "[ . 1 . 2]" 1
291 1 25 ARG H 1 26 VAL QG . . 4.340 3.991 3.766 4.240 . 0 0 "[ . 1 . 2]" 1
292 1 25 ARG H 1 37 LEU H . . 3.610 3.303 2.777 3.611 0.001 17 0 "[ . 1 . 2]" 1
293 1 25 ARG H 1 37 LEU HB2 . . 4.230 3.393 3.004 3.710 . 0 0 "[ . 1 . 2]" 1
294 1 25 ARG H 1 37 LEU HB3 . . 4.860 4.680 4.452 4.859 . 0 0 "[ . 1 . 2]" 1
295 1 25 ARG H 1 37 LEU MD1 . . 5.350 4.741 4.265 5.199 . 0 0 "[ . 1 . 2]" 1
296 1 25 ARG H 1 38 GLU HA . . 4.040 3.505 2.895 4.028 . 0 0 "[ . 1 . 2]" 1
297 1 25 ARG QB 1 25 ARG QD . . 3.340 2.282 2.101 2.772 . 0 0 "[ . 1 . 2]" 1
298 1 25 ARG QB 1 36 ALA HA . . 5.250 3.082 2.134 3.856 . 0 0 "[ . 1 . 2]" 1
299 1 25 ARG QB 1 37 LEU H . . 3.730 2.203 1.813 2.770 . 0 0 "[ . 1 . 2]" 1
300 1 25 ARG QB 1 37 LEU HB2 . . 4.330 2.536 2.058 2.961 . 0 0 "[ . 1 . 2]" 1
301 1 25 ARG QB 1 37 LEU MD1 . . 4.470 3.034 2.662 3.516 . 0 0 "[ . 1 . 2]" 1
302 1 25 ARG HB2 1 37 LEU H . . 4.340 3.387 1.926 4.348 0.008 1 0 "[ . 1 . 2]" 1
303 1 25 ARG HB2 1 37 LEU HB2 . . 5.150 3.061 2.075 4.061 . 0 0 "[ . 1 . 2]" 1
304 1 25 ARG HB2 1 37 LEU MD1 . . 5.280 3.405 2.822 4.067 . 0 0 "[ . 1 . 2]" 1
305 1 25 ARG HB2 1 37 LEU HG . . 5.500 4.369 3.481 5.455 . 0 0 "[ . 1 . 2]" 1
306 1 25 ARG HB3 1 37 LEU H . . 4.340 2.401 1.898 3.174 . 0 0 "[ . 1 . 2]" 1
307 1 25 ARG HB3 1 37 LEU HB2 . . 5.150 3.102 2.243 4.422 . 0 0 "[ . 1 . 2]" 1
308 1 25 ARG HB3 1 37 LEU MD1 . . 5.280 3.554 2.962 4.652 . 0 0 "[ . 1 . 2]" 1
309 1 25 ARG HB3 1 37 LEU HG . . 5.500 3.794 3.247 4.725 . 0 0 "[ . 1 . 2]" 1
310 1 25 ARG QG 1 37 LEU HB2 . . 4.590 3.877 2.486 4.591 0.001 12 0 "[ . 1 . 2]" 1
311 1 25 ARG QG 1 37 LEU MD1 . . 3.720 3.192 2.212 3.674 . 0 0 "[ . 1 . 2]" 1
312 1 26 VAL HA 1 26 VAL QG . . 2.990 2.107 2.017 2.314 . 0 0 "[ . 1 . 2]" 1
313 1 26 VAL HA 1 27 PRO HD2 . . 3.330 1.956 1.927 2.118 . 0 0 "[ . 1 . 2]" 1
314 1 26 VAL HA 1 27 PRO HD3 . . 3.330 2.531 2.256 2.613 . 0 0 "[ . 1 . 2]" 1
315 1 26 VAL HA 1 27 PRO QG . . 4.330 3.799 3.780 3.842 . 0 0 "[ . 1 . 2]" 1
316 1 26 VAL HA 1 36 ALA MB . . 4.780 3.404 2.386 3.763 . 0 0 "[ . 1 . 2]" 1
317 1 26 VAL HB 1 27 PRO QD . . 4.550 4.004 2.592 4.351 . 0 0 "[ . 1 . 2]" 1
318 1 26 VAL QG 1 27 PRO QD . . 3.590 2.884 2.264 3.278 . 0 0 "[ . 1 . 2]" 1
319 1 26 VAL QG 1 36 ALA MB . . 4.160 3.932 2.872 4.163 0.003 18 0 "[ . 1 . 2]" 1
320 1 26 VAL MG1 1 27 PRO HD2 . . 5.000 3.096 2.328 3.609 . 0 0 "[ . 1 . 2]" 1
321 1 26 VAL MG1 1 27 PRO HD3 . . 5.000 4.141 3.595 4.307 . 0 0 "[ . 1 . 2]" 1
322 1 26 VAL MG2 1 27 PRO HD2 . . 5.000 3.973 3.541 4.596 . 0 0 "[ . 1 . 2]" 1
323 1 26 VAL MG2 1 27 PRO HD3 . . 5.000 4.521 4.283 4.852 . 0 0 "[ . 1 . 2]" 1
324 1 27 PRO HA 1 28 CYS H . . 3.060 2.263 2.151 2.342 . 0 0 "[ . 1 . 2]" 1
325 1 27 PRO HA 1 28 CYS QB . . 4.360 4.263 4.059 4.360 0.000 14 0 "[ . 1 . 2]" 1
326 1 27 PRO HA 1 34 ALA MB . . 3.990 2.806 2.159 3.437 . 0 0 "[ . 1 . 2]" 1
327 1 27 PRO QB 1 34 ALA MB . . 3.120 1.878 1.709 2.155 . 0 0 "[ . 1 . 2]" 1
328 1 27 PRO HB2 1 28 CYS H . . 4.090 3.047 2.768 3.633 . 0 0 "[ . 1 . 2]" 1
329 1 27 PRO HB2 1 34 ALA MB . . 3.650 2.587 1.999 3.204 . 0 0 "[ . 1 . 2]" 1
330 1 27 PRO HB3 1 28 CYS H . . 4.090 3.699 3.534 4.069 . 0 0 "[ . 1 . 2]" 1
331 1 27 PRO HB3 1 34 ALA MB . . 3.650 1.951 1.826 2.207 . 0 0 "[ . 1 . 2]" 1
332 1 27 PRO QD 1 36 ALA HA . . 3.710 2.210 1.984 2.573 . 0 0 "[ . 1 . 2]" 1
333 1 27 PRO HD2 1 36 ALA HA . . 4.520 3.404 2.905 3.849 . 0 0 "[ . 1 . 2]" 1
334 1 27 PRO HD2 1 36 ALA MB . . 3.500 2.272 1.994 2.546 . 0 0 "[ . 1 . 2]" 1
335 1 27 PRO HD3 1 36 ALA HA . . 4.520 2.240 2.000 2.614 . 0 0 "[ . 1 . 2]" 1
336 1 27 PRO HD3 1 36 ALA MB . . 3.500 2.388 1.893 2.803 . 0 0 "[ . 1 . 2]" 1
337 1 27 PRO QG 1 36 ALA H . . 4.630 3.373 3.057 3.638 . 0 0 "[ . 1 . 2]" 1
338 1 27 PRO QG 1 36 ALA HA . . 5.350 3.052 2.371 4.104 . 0 0 "[ . 1 . 2]" 1
339 1 27 PRO HG2 1 36 ALA H . . 5.310 4.984 4.541 5.326 0.016 12 0 "[ . 1 . 2]" 1
340 1 27 PRO HG3 1 36 ALA H . . 5.310 3.431 3.101 3.704 . 0 0 "[ . 1 . 2]" 1
341 1 28 CYS H 1 28 CYS QB . . 3.280 2.221 2.125 2.397 . 0 0 "[ . 1 . 2]" 1
342 1 28 CYS H 1 31 ASP H . . 4.410 4.228 3.723 4.413 0.003 20 0 "[ . 1 . 2]" 1
343 1 28 CYS H 1 31 ASP HB2 . . 4.780 2.932 1.895 3.829 . 0 0 "[ . 1 . 2]" 1
344 1 28 CYS H 1 31 ASP QB . . 4.160 2.519 1.875 3.227 . 0 0 "[ . 1 . 2]" 1
345 1 28 CYS H 1 31 ASP HB3 . . 4.780 3.053 2.068 4.129 . 0 0 "[ . 1 . 2]" 1
346 1 28 CYS H 1 34 ALA MB . . 3.830 3.369 2.819 3.824 . 0 0 "[ . 1 . 2]" 1
347 1 28 CYS HA 1 29 ALA MB . . 4.630 4.113 3.975 4.268 . 0 0 "[ . 1 . 2]" 1
348 1 28 CYS QB 1 30 TYR H . . 5.030 2.772 2.388 3.042 . 0 0 "[ . 1 . 2]" 1
349 1 28 CYS QB 1 30 TYR QD . . 4.790 3.064 2.071 4.174 . 0 0 "[ . 1 . 2]" 1
350 1 28 CYS QB 1 30 TYR QE . . 4.740 3.395 2.426 4.693 . 0 0 "[ . 1 . 2]" 1
351 1 28 CYS QB 1 31 ASP H . . 3.990 2.798 2.457 3.868 . 0 0 "[ . 1 . 2]" 1
352 1 28 CYS QB 1 31 ASP HB2 . . 3.930 2.235 1.962 2.818 . 0 0 "[ . 1 . 2]" 1
353 1 28 CYS QB 1 31 ASP QB . . 3.430 2.181 1.927 2.697 . 0 0 "[ . 1 . 2]" 1
354 1 28 CYS QB 1 31 ASP HB3 . . 3.930 3.297 2.645 3.918 . 0 0 "[ . 1 . 2]" 1
355 1 28 CYS QB 1 34 ALA MB . . 4.630 4.394 3.805 4.635 0.005 18 0 "[ . 1 . 2]" 1
356 1 29 ALA HA 1 31 ASP H . . 4.610 4.252 3.775 4.610 0.000 11 0 "[ . 1 . 2]" 1
357 1 29 ALA MB 1 30 TYR H . . 4.450 2.506 2.265 2.849 . 0 0 "[ . 1 . 2]" 1
358 1 29 ALA MB 1 30 TYR HA . . 4.830 3.832 3.664 4.077 . 0 0 "[ . 1 . 2]" 1
359 1 29 ALA MB 1 30 TYR QB . . 4.790 4.011 3.566 4.565 . 0 0 "[ . 1 . 2]" 1
360 1 29 ALA MB 1 30 TYR QD . . 4.210 3.200 2.468 3.905 . 0 0 "[ . 1 . 2]" 1
361 1 29 ALA MB 1 30 TYR QE . . 4.520 4.083 3.206 4.521 0.001 16 0 "[ . 1 . 2]" 1
362 1 29 ALA MB 1 31 ASP H . . 4.610 4.405 4.110 4.570 . 0 0 "[ . 1 . 2]" 1
363 1 30 TYR H 1 30 TYR QD . . 4.590 2.258 1.912 3.022 . 0 0 "[ . 1 . 2]" 1
364 1 30 TYR H 1 31 ASP H . . 3.600 2.697 2.365 3.266 . 0 0 "[ . 1 . 2]" 1
365 1 30 TYR HA 1 30 TYR QD . . 3.850 3.490 2.775 3.727 . 0 0 "[ . 1 . 2]" 1
366 1 30 TYR QB 1 31 ASP H . . 4.060 3.355 2.471 4.036 . 0 0 "[ . 1 . 2]" 1
367 1 30 TYR QD 1 31 ASP H . . 4.700 3.568 2.685 4.700 0.000 19 0 "[ . 1 . 2]" 1
368 1 30 TYR QD 1 31 ASP QB . . 4.910 4.166 3.216 4.907 . 0 0 "[ . 1 . 2]" 1
369 1 31 ASP H 1 31 ASP HB2 . . 3.550 2.429 2.189 3.032 . 0 0 "[ . 1 . 2]" 1
370 1 31 ASP H 1 31 ASP QB . . 2.980 2.301 2.167 2.641 . 0 0 "[ . 1 . 2]" 1
371 1 31 ASP H 1 31 ASP HB3 . . 3.550 3.067 2.704 3.560 0.010 11 0 "[ . 1 . 2]" 1
372 1 31 ASP H 1 32 LYS H . . 4.830 4.192 2.331 4.582 . 0 0 "[ . 1 . 2]" 1
373 1 31 ASP QB 1 34 ALA H . . 4.500 3.349 2.591 3.934 . 0 0 "[ . 1 . 2]" 1
374 1 31 ASP QB 1 34 ALA MB . . 3.500 2.438 1.855 3.396 . 0 0 "[ . 1 . 2]" 1
375 1 31 ASP HB2 1 32 LYS H . . 5.210 4.380 2.678 4.666 . 0 0 "[ . 1 . 2]" 1
376 1 31 ASP HB2 1 34 ALA MB . . 4.210 3.527 2.892 4.171 . 0 0 "[ . 1 . 2]" 1
377 1 31 ASP HB3 1 32 LYS H . . 5.210 3.928 3.256 4.407 . 0 0 "[ . 1 . 2]" 1
378 1 31 ASP HB3 1 34 ALA MB . . 4.210 2.495 1.877 3.642 . 0 0 "[ . 1 . 2]" 1
379 1 32 LYS H 1 32 LYS QB . . 3.520 2.456 2.260 3.073 . 0 0 "[ . 1 . 2]" 1
380 1 32 LYS H 1 32 LYS QG . . 4.050 3.221 2.309 4.045 . 0 0 "[ . 1 . 2]" 1
381 1 32 LYS H 1 33 THR H . . 4.270 2.222 1.799 3.022 . 0 0 "[ . 1 . 2]" 1
382 1 32 LYS H 1 34 ALA H . . 5.080 3.752 3.245 4.912 . 0 0 "[ . 1 . 2]" 1
383 1 32 LYS HA 1 32 LYS QD . . 3.880 3.135 2.071 3.925 0.045 7 0 "[ . 1 . 2]" 1
384 1 32 LYS HA 1 32 LYS QG . . 3.520 2.528 2.165 3.440 . 0 0 "[ . 1 . 2]" 1
385 1 32 LYS HA 1 34 ALA H . . 4.100 3.955 3.522 4.100 . 0 0 "[ . 1 . 2]" 1
386 1 32 LYS QB 1 33 THR MG . . 3.920 3.434 3.097 3.925 0.005 7 0 "[ . 1 . 2]" 1
387 1 32 LYS HB2 1 33 THR H . . 4.930 3.312 2.640 4.531 . 0 0 "[ . 1 . 2]" 1
388 1 32 LYS HB2 1 33 THR MG . . 4.500 3.782 3.290 4.469 . 0 0 "[ . 1 . 2]" 1
389 1 32 LYS HB3 1 33 THR H . . 4.930 3.765 2.948 4.444 . 0 0 "[ . 1 . 2]" 1
390 1 32 LYS HB3 1 33 THR MG . . 4.500 4.124 3.158 4.515 0.015 7 0 "[ . 1 . 2]" 1
391 1 33 THR H 1 33 THR MG . . 3.700 2.519 2.078 3.169 . 0 0 "[ . 1 . 2]" 1
392 1 33 THR H 1 34 ALA H . . 3.190 2.406 1.811 2.594 . 0 0 "[ . 1 . 2]" 1
393 1 33 THR HA 1 33 THR MG . . 2.960 2.295 2.103 2.473 . 0 0 "[ . 1 . 2]" 1
394 1 33 THR HB 1 64 LEU H . . 3.780 3.463 3.048 3.780 . 0 0 "[ . 1 . 2]" 1
395 1 33 THR HB 1 64 LEU HB2 . . 4.650 3.620 2.979 4.027 . 0 0 "[ . 1 . 2]" 1
396 1 33 THR HB 1 64 LEU HB3 . . 5.500 5.153 4.652 5.494 . 0 0 "[ . 1 . 2]" 1
397 1 33 THR HB 1 64 LEU MD1 . . 3.450 2.980 1.979 3.454 0.004 10 0 "[ . 1 . 2]" 1
398 1 33 THR HB 1 64 LEU MD2 . . 5.000 4.710 4.410 5.001 0.001 19 0 "[ . 1 . 2]" 1
399 1 33 THR HB 1 64 LEU HG . . 4.990 3.248 2.847 3.603 . 0 0 "[ . 1 . 2]" 1
400 1 33 THR MG 1 34 ALA H . . 4.530 4.083 3.901 4.218 . 0 0 "[ . 1 . 2]" 1
401 1 33 THR MG 1 64 LEU MD1 . . 3.910 3.587 2.958 3.910 . 1 0 "[ . 1 . 2]" 1
402 1 34 ALA H 1 34 ALA MB . . 2.850 2.196 2.029 2.390 . 0 0 "[ . 1 . 2]" 1
403 1 34 ALA H 1 35 LEU H . . 4.690 4.424 4.253 4.583 . 0 0 "[ . 1 . 2]" 1
404 1 34 ALA H 1 64 LEU H . . 4.890 4.744 4.352 4.894 0.004 13 0 "[ . 1 . 2]" 1
405 1 34 ALA HA 1 35 LEU H . . 2.990 2.153 2.142 2.196 . 0 0 "[ . 1 . 2]" 1
406 1 34 ALA HA 1 63 GLY HA3 . . 4.640 4.218 3.617 4.638 . 0 0 "[ . 1 . 2]" 1
407 1 34 ALA HA 1 64 LEU H . . 4.130 3.389 2.623 3.757 . 0 0 "[ . 1 . 2]" 1
408 1 34 ALA HA 1 64 LEU HB2 . . 4.340 3.725 3.167 4.010 . 0 0 "[ . 1 . 2]" 1
409 1 34 ALA HA 1 64 LEU HB3 . . 5.500 5.158 4.595 5.475 . 0 0 "[ . 1 . 2]" 1
410 1 34 ALA MB 1 35 LEU H . . 3.640 3.279 2.961 3.403 . 0 0 "[ . 1 . 2]" 1
411 1 34 ALA MB 1 64 LEU H . . 5.140 4.835 4.235 5.091 . 0 0 "[ . 1 . 2]" 1
412 1 35 LEU H 1 35 LEU HB2 . . 3.570 2.271 2.204 2.339 . 0 0 "[ . 1 . 2]" 1
413 1 35 LEU H 1 35 LEU HB3 . . 3.470 2.839 2.821 2.866 . 0 0 "[ . 1 . 2]" 1
414 1 35 LEU H 1 35 LEU MD1 . . 4.380 4.179 4.109 4.298 . 0 0 "[ . 1 . 2]" 1
415 1 35 LEU H 1 35 LEU MD2 . . 4.510 4.241 4.171 4.310 . 0 0 "[ . 1 . 2]" 1
416 1 35 LEU H 1 35 LEU HG . . 4.380 4.268 4.193 4.330 . 0 0 "[ . 1 . 2]" 1
417 1 35 LEU H 1 36 ALA H . . 4.840 4.572 4.541 4.608 . 0 0 "[ . 1 . 2]" 1
418 1 35 LEU H 1 63 GLY HA3 . . 4.540 3.056 2.843 3.353 . 0 0 "[ . 1 . 2]" 1
419 1 35 LEU H 1 64 LEU H . . 3.430 3.255 3.095 3.430 . 0 0 "[ . 1 . 2]" 1
420 1 35 LEU H 1 65 PHE HB3 . . 4.600 3.828 3.325 4.131 . 0 0 "[ . 1 . 2]" 1
421 1 35 LEU H 1 65 PHE QD . . 5.060 4.735 4.388 5.000 . 0 0 "[ . 1 . 2]" 1
422 1 35 LEU HA 1 35 LEU MD1 . . 3.840 3.782 3.713 3.823 . 0 0 "[ . 1 . 2]" 1
423 1 35 LEU HA 1 35 LEU MD2 . . 3.140 2.553 2.203 2.837 . 0 0 "[ . 1 . 2]" 1
424 1 35 LEU HA 1 35 LEU HG . . 4.020 2.499 2.369 2.696 . 0 0 "[ . 1 . 2]" 1
425 1 35 LEU HA 1 36 ALA H . . 2.850 2.184 2.165 2.212 . 0 0 "[ . 1 . 2]" 1
426 1 35 LEU HB2 1 35 LEU MD1 . . 3.170 2.256 2.102 2.449 . 0 0 "[ . 1 . 2]" 1
427 1 35 LEU HB2 1 36 ALA H . . 4.470 4.318 4.259 4.362 . 0 0 "[ . 1 . 2]" 1
428 1 35 LEU HB2 1 63 GLY H . . 4.370 2.936 2.568 3.334 . 0 0 "[ . 1 . 2]" 1
429 1 35 LEU HB2 1 63 GLY HA2 . . 4.410 3.645 3.441 3.886 . 0 0 "[ . 1 . 2]" 1
430 1 35 LEU HB2 1 63 GLY HA3 . . 4.460 2.241 2.000 2.552 . 0 0 "[ . 1 . 2]" 1
431 1 35 LEU HB2 1 65 PHE HB3 . . 4.770 3.450 3.015 4.005 . 0 0 "[ . 1 . 2]" 1
432 1 35 LEU HB2 1 65 PHE QD . . 4.660 3.422 2.908 3.798 . 0 0 "[ . 1 . 2]" 1
433 1 35 LEU HB3 1 35 LEU MD1 . . 3.350 2.407 2.244 2.528 . 0 0 "[ . 1 . 2]" 1
434 1 35 LEU HB3 1 36 ALA H . . 4.290 3.777 3.687 3.845 . 0 0 "[ . 1 . 2]" 1
435 1 35 LEU HB3 1 63 GLY HA3 . . 4.790 3.895 3.659 4.163 . 0 0 "[ . 1 . 2]" 1
436 1 35 LEU HB3 1 65 PHE HB3 . . 4.240 2.565 2.165 3.134 . 0 0 "[ . 1 . 2]" 1
437 1 35 LEU HB3 1 65 PHE QD . . 4.190 3.424 3.100 3.618 . 0 0 "[ . 1 . 2]" 1
438 1 35 LEU MD1 1 36 ALA H . . 4.560 4.403 4.261 4.557 . 0 0 "[ . 1 . 2]" 1
439 1 35 LEU MD1 1 56 GLY H . . 4.440 3.095 2.773 3.487 . 0 0 "[ . 1 . 2]" 1
440 1 35 LEU MD1 1 56 GLY HA3 . . 4.680 3.547 3.098 3.871 . 0 0 "[ . 1 . 2]" 1
441 1 35 LEU MD1 1 57 GLU HA . . 4.340 3.010 2.514 3.689 . 0 0 "[ . 1 . 2]" 1
442 1 35 LEU MD1 1 58 VAL H . . 4.360 3.016 2.609 3.521 . 0 0 "[ . 1 . 2]" 1
443 1 35 LEU MD1 1 58 VAL HB . . 4.150 3.020 2.589 3.368 . 0 0 "[ . 1 . 2]" 1
444 1 35 LEU MD1 1 58 VAL MG1 . . 4.390 4.170 3.841 4.376 . 0 0 "[ . 1 . 2]" 1
445 1 35 LEU MD1 1 58 VAL MG2 . . 3.440 2.641 1.965 3.004 . 0 0 "[ . 1 . 2]" 1
446 1 35 LEU MD1 1 62 LYS HA . . 4.540 2.630 2.066 3.184 . 0 0 "[ . 1 . 2]" 1
447 1 35 LEU MD1 1 62 LYS QB . . 4.530 4.227 3.928 4.531 0.001 2 0 "[ . 1 . 2]" 1
448 1 35 LEU MD1 1 63 GLY H . . 3.900 1.946 1.752 2.238 . 0 0 "[ . 1 . 2]" 1
449 1 35 LEU MD1 1 63 GLY HA3 . . 4.930 3.432 3.097 3.695 . 0 0 "[ . 1 . 2]" 1
450 1 35 LEU MD1 1 65 PHE HB3 . . 4.620 3.438 2.903 4.040 . 0 0 "[ . 1 . 2]" 1
451 1 35 LEU MD1 1 65 PHE QD . . 3.540 2.489 1.979 3.058 . 0 0 "[ . 1 . 2]" 1
452 1 35 LEU MD1 1 65 PHE QE . . 4.440 3.451 2.915 3.892 . 0 0 "[ . 1 . 2]" 1
453 1 35 LEU MD2 1 36 ALA H . . 3.480 1.899 1.787 2.278 . 0 0 "[ . 1 . 2]" 1
454 1 35 LEU MD2 1 36 ALA MB . . 4.530 3.280 3.149 3.532 . 0 0 "[ . 1 . 2]" 1
455 1 35 LEU MD2 1 37 LEU H . . 4.460 4.109 4.029 4.179 . 0 0 "[ . 1 . 2]" 1
456 1 35 LEU MD2 1 58 VAL H . . 3.790 3.412 3.098 3.789 . 0 0 "[ . 1 . 2]" 1
457 1 35 LEU MD2 1 58 VAL HB . . 3.470 2.259 1.850 3.123 . 0 0 "[ . 1 . 2]" 1
458 1 35 LEU MD2 1 61 ARG QB . . 3.780 2.803 1.831 3.791 0.011 11 0 "[ . 1 . 2]" 1
459 1 35 LEU MD2 1 61 ARG QD . . 4.550 3.742 2.041 4.549 . 0 0 "[ . 1 . 2]" 1
460 1 35 LEU MD2 1 62 LYS H . . 5.230 5.015 4.130 5.230 0.000 14 0 "[ . 1 . 2]" 1
461 1 35 LEU MD2 1 62 LYS HA . . 4.350 4.316 4.127 4.356 0.006 20 0 "[ . 1 . 2]" 1
462 1 35 LEU MD2 1 63 GLY H . . 3.990 3.917 3.733 3.994 0.004 1 0 "[ . 1 . 2]" 1
463 1 35 LEU MD2 1 63 GLY HA3 . . 4.690 4.197 3.719 4.475 . 0 0 "[ . 1 . 2]" 1
464 1 35 LEU MD2 1 65 PHE QD . . 5.450 4.541 4.138 5.049 . 0 0 "[ . 1 . 2]" 1
465 1 35 LEU HG 1 36 ALA H . . 4.750 3.512 3.189 3.836 . 0 0 "[ . 1 . 2]" 1
466 1 35 LEU HG 1 65 PHE QD . . 5.500 4.958 4.324 5.491 . 0 0 "[ . 1 . 2]" 1
467 1 36 ALA H 1 36 ALA MB . . 2.990 2.231 2.164 2.337 . 0 0 "[ . 1 . 2]" 1
468 1 36 ALA H 1 61 ARG QB . . 5.320 4.017 3.364 5.317 . 0 0 "[ . 1 . 2]" 1
469 1 36 ALA HA 1 37 LEU H . . 2.980 2.177 2.159 2.205 . 0 0 "[ . 1 . 2]" 1
470 1 36 ALA MB 1 37 LEU H . . 3.510 3.032 2.912 3.110 . 0 0 "[ . 1 . 2]" 1
471 1 37 LEU H 1 37 LEU HB2 . . 3.660 2.850 2.793 2.914 . 0 0 "[ . 1 . 2]" 1
472 1 37 LEU H 1 37 LEU HB3 . . 4.170 3.888 3.857 3.915 . 0 0 "[ . 1 . 2]" 1
473 1 37 LEU H 1 37 LEU MD1 . . 4.450 3.945 3.704 4.203 . 0 0 "[ . 1 . 2]" 1
474 1 37 LEU H 1 37 LEU MD2 . . 4.710 4.058 3.797 4.222 . 0 0 "[ . 1 . 2]" 1
475 1 37 LEU H 1 37 LEU HG . . 3.800 3.046 2.883 3.172 . 0 0 "[ . 1 . 2]" 1
476 1 37 LEU H 1 38 GLU H . . 4.610 4.411 4.293 4.437 . 0 0 "[ . 1 . 2]" 1
477 1 37 LEU HB3 1 37 LEU MD2 . . 3.550 2.153 2.032 2.350 . 0 0 "[ . 1 . 2]" 1
478 1 37 LEU HB3 1 38 GLU H . . 3.950 2.500 2.376 3.063 . 0 0 "[ . 1 . 2]" 1
479 1 37 LEU MD1 1 41 ASP HB3 . . 4.350 4.199 3.609 4.353 0.003 20 0 "[ . 1 . 2]" 1
480 1 37 LEU MD1 1 65 PHE HB2 . . 4.510 3.022 2.595 3.338 . 0 0 "[ . 1 . 2]" 1
481 1 37 LEU MD1 1 65 PHE HB3 . . 4.320 3.017 2.676 3.285 . 0 0 "[ . 1 . 2]" 1
482 1 37 LEU MD1 1 65 PHE QD . . 4.730 3.433 2.984 3.671 . 0 0 "[ . 1 . 2]" 1
483 1 37 LEU MD1 1 66 PRO HD2 . . 4.700 4.386 3.988 4.702 0.002 20 0 "[ . 1 . 2]" 1
484 1 37 LEU MD1 1 69 HIS HB2 . . 5.440 5.047 4.584 5.425 . 0 0 "[ . 1 . 2]" 1
485 1 37 LEU MD1 1 69 HIS QB . . 4.750 4.270 3.957 4.616 . 0 0 "[ . 1 . 2]" 1
486 1 37 LEU MD1 1 69 HIS HB3 . . 5.440 4.648 4.081 5.128 . 0 0 "[ . 1 . 2]" 1
487 1 37 LEU MD2 1 38 GLU H . . 3.860 3.531 3.330 3.756 . 0 0 "[ . 1 . 2]" 1
488 1 37 LEU MD2 1 41 ASP HB2 . . 4.060 3.774 3.296 4.058 . 0 0 "[ . 1 . 2]" 1
489 1 37 LEU MD2 1 41 ASP HB3 . . 4.300 2.855 2.624 3.374 . 0 0 "[ . 1 . 2]" 1
490 1 37 LEU MD2 1 58 VAL HB . . 4.350 2.279 2.034 2.960 . 0 0 "[ . 1 . 2]" 1
491 1 37 LEU MD2 1 58 VAL MG1 . . 3.350 2.017 1.752 2.634 . 0 0 "[ . 1 . 2]" 1
492 1 37 LEU MD2 1 58 VAL MG2 . . 3.620 1.995 1.769 2.487 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU MD2 1 59 ASN QD . . 5.330 3.758 2.421 5.093 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU MD2 1 65 PHE QD . . 5.500 4.746 4.439 5.079 . 0 0 "[ . 1 . 2]" 1
495 1 37 LEU HG 1 38 GLU H . . 4.970 4.863 4.760 4.973 0.003 20 0 "[ . 1 . 2]" 1
496 1 37 LEU HG 1 58 VAL HB . . 5.500 4.504 4.028 5.402 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HG 1 65 PHE HB3 . . 4.840 4.420 3.988 4.729 . 0 0 "[ . 1 . 2]" 1
498 1 37 LEU HG 1 65 PHE QD . . 5.500 5.378 5.186 5.504 0.004 20 0 "[ . 1 . 2]" 1
499 1 38 GLU H 1 38 GLU HB2 . . 4.020 3.360 2.317 3.878 . 0 0 "[ . 1 . 2]" 1
500 1 38 GLU H 1 38 GLU QB . . 3.300 2.680 2.222 3.021 . 0 0 "[ . 1 . 2]" 1
501 1 38 GLU H 1 38 GLU HB3 . . 4.020 3.022 2.349 3.748 . 0 0 "[ . 1 . 2]" 1
502 1 38 GLU H 1 38 GLU HG2 . . 4.580 3.396 1.979 4.579 . 0 0 "[ . 1 . 2]" 1
503 1 38 GLU H 1 38 GLU QG . . 3.860 3.032 1.965 3.894 0.034 15 0 "[ . 1 . 2]" 1
504 1 38 GLU H 1 38 GLU HG3 . . 4.580 3.864 3.018 4.541 . 0 0 "[ . 1 . 2]" 1
505 1 38 GLU H 1 41 ASP H . . 4.780 4.611 4.354 4.782 0.002 18 0 "[ . 1 . 2]" 1
506 1 38 GLU H 1 41 ASP HB2 . . 4.530 2.580 2.372 2.910 . 0 0 "[ . 1 . 2]" 1
507 1 38 GLU H 1 41 ASP HB3 . . 4.720 3.293 2.974 3.701 . 0 0 "[ . 1 . 2]" 1
508 1 38 GLU HA 1 38 GLU HG2 . . 4.210 3.453 2.443 3.907 . 0 0 "[ . 1 . 2]" 1
509 1 38 GLU HA 1 38 GLU QG . . 3.640 2.926 2.252 3.404 . 0 0 "[ . 1 . 2]" 1
510 1 38 GLU HA 1 38 GLU HG3 . . 4.210 3.280 2.278 4.197 . 0 0 "[ . 1 . 2]" 1
511 1 38 GLU HA 1 39 VAL H . . 2.980 2.258 2.161 2.539 . 0 0 "[ . 1 . 2]" 1
512 1 38 GLU HA 1 39 VAL HA . . 4.960 4.315 4.299 4.337 . 0 0 "[ . 1 . 2]" 1
513 1 38 GLU HA 1 39 VAL HB . . 5.340 4.833 4.687 5.030 . 0 0 "[ . 1 . 2]" 1
514 1 38 GLU HA 1 39 VAL QG . . 3.800 3.653 3.568 3.762 . 0 0 "[ . 1 . 2]" 1
515 1 38 GLU QB 1 39 VAL H . . 3.730 3.015 2.145 3.678 . 0 0 "[ . 1 . 2]" 1
516 1 38 GLU QG 1 39 VAL H . . 3.920 3.252 1.892 3.889 . 0 0 "[ . 1 . 2]" 1
517 1 38 GLU HG2 1 39 VAL H . . 4.680 4.037 1.900 4.661 . 0 0 "[ . 1 . 2]" 1
518 1 38 GLU HG3 1 39 VAL H . . 4.680 3.644 2.210 4.673 . 0 0 "[ . 1 . 2]" 1
519 1 39 VAL H 1 39 VAL HB . . 3.070 2.665 2.529 2.750 . 0 0 "[ . 1 . 2]" 1
520 1 39 VAL H 1 39 VAL QG . . 2.970 2.003 1.872 2.251 . 0 0 "[ . 1 . 2]" 1
521 1 39 VAL H 1 40 GLY H . . 4.540 4.382 4.325 4.452 . 0 0 "[ . 1 . 2]" 1
522 1 39 VAL HA 1 39 VAL MG1 . . 3.190 2.360 2.279 2.481 . 0 0 "[ . 1 . 2]" 1
523 1 39 VAL HA 1 39 VAL MG2 . . 3.190 2.355 2.272 2.442 . 0 0 "[ . 1 . 2]" 1
524 1 39 VAL HA 1 40 GLY H . . 2.850 2.157 2.144 2.169 . 0 0 "[ . 1 . 2]" 1
525 1 39 VAL HA 1 40 GLY QA . . 4.460 3.897 3.893 3.906 . 0 0 "[ . 1 . 2]" 1
526 1 39 VAL HA 1 41 ASP H . . 4.200 3.953 3.656 4.180 . 0 0 "[ . 1 . 2]" 1
527 1 39 VAL HB 1 40 GLY H . . 4.750 4.366 4.308 4.416 . 0 0 "[ . 1 . 2]" 1
528 1 39 VAL HB 1 40 GLY QA . . 5.340 4.529 4.455 4.600 . 0 0 "[ . 1 . 2]" 1
529 1 39 VAL QG 1 40 GLY H . . 3.260 2.941 2.762 3.057 . 0 0 "[ . 1 . 2]" 1
530 1 39 VAL QG 1 40 GLY QA . . 3.840 3.220 3.084 3.315 . 0 0 "[ . 1 . 2]" 1
531 1 39 VAL QG 1 41 ASP H . . 4.810 4.599 4.436 4.737 . 0 0 "[ . 1 . 2]" 1
532 1 39 VAL MG1 1 40 GLY H . . 4.460 3.010 2.805 3.143 . 0 0 "[ . 1 . 2]" 1
533 1 39 VAL MG2 1 40 GLY H . . 4.460 4.148 4.086 4.193 . 0 0 "[ . 1 . 2]" 1
534 1 40 GLY H 1 41 ASP H . . 3.360 2.203 2.066 2.362 . 0 0 "[ . 1 . 2]" 1
535 1 41 ASP H 1 41 ASP HB2 . . 3.180 2.640 2.306 2.882 . 0 0 "[ . 1 . 2]" 1
536 1 41 ASP H 1 41 ASP HB3 . . 3.740 3.242 2.875 3.654 . 0 0 "[ . 1 . 2]" 1
537 1 41 ASP H 1 42 ILE H . . 4.550 4.373 4.233 4.491 . 0 0 "[ . 1 . 2]" 1
538 1 41 ASP H 1 42 ILE MD . . 5.500 4.593 3.855 5.275 . 0 0 "[ . 1 . 2]" 1
539 1 41 ASP HA 1 42 ILE H . . 2.860 2.182 2.139 2.267 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASP HA 1 42 ILE HB . . 4.790 4.657 4.461 4.781 . 0 0 "[ . 1 . 2]" 1
541 1 41 ASP HA 1 42 ILE MD . . 4.910 4.058 2.819 4.726 . 0 0 "[ . 1 . 2]" 1
542 1 41 ASP HB2 1 42 ILE H . . 4.470 4.335 4.158 4.460 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASP HB2 1 43 VAL MG2 . . 5.360 4.543 4.008 5.147 . 0 0 "[ . 1 . 2]" 1
544 1 41 ASP HB2 1 58 VAL MG1 . . 4.280 4.122 3.508 4.262 . 0 0 "[ . 1 . 2]" 1
545 1 41 ASP HB3 1 42 ILE H . . 3.740 3.593 3.358 3.740 0.000 5 0 "[ . 1 . 2]" 1
546 1 41 ASP HB3 1 43 VAL MG2 . . 4.160 3.475 3.058 3.779 . 0 0 "[ . 1 . 2]" 1
547 1 41 ASP HB3 1 58 VAL MG1 . . 3.690 3.088 2.330 3.570 . 0 0 "[ . 1 . 2]" 1
548 1 42 ILE H 1 42 ILE HB . . 3.230 2.520 2.362 2.625 . 0 0 "[ . 1 . 2]" 1
549 1 42 ILE H 1 42 ILE MD . . 4.320 3.150 2.183 3.726 . 0 0 "[ . 1 . 2]" 1
550 1 42 ILE H 1 42 ILE HG12 . . 4.060 2.517 2.064 4.057 . 0 0 "[ . 1 . 2]" 1
551 1 42 ILE H 1 42 ILE HG13 . . 4.060 3.738 3.472 4.055 . 0 0 "[ . 1 . 2]" 1
552 1 42 ILE H 1 42 ILE MG . . 4.040 3.773 3.707 3.825 . 0 0 "[ . 1 . 2]" 1
553 1 42 ILE H 1 43 VAL H . . 4.940 4.442 4.072 4.594 . 0 0 "[ . 1 . 2]" 1
554 1 42 ILE H 1 58 VAL MG1 . . 4.530 4.222 3.763 4.515 . 0 0 "[ . 1 . 2]" 1
555 1 42 ILE H 1 58 VAL MG2 . . 5.040 4.762 4.358 5.026 . 0 0 "[ . 1 . 2]" 1
556 1 42 ILE HA 1 43 VAL H . . 3.090 2.160 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
557 1 42 ILE HB 1 42 ILE MD . . 3.590 3.110 2.413 3.230 . 0 0 "[ . 1 . 2]" 1
558 1 42 ILE HB 1 43 VAL H . . 4.630 4.226 3.929 4.537 . 0 0 "[ . 1 . 2]" 1
559 1 42 ILE MD 1 42 ILE MG . . 3.940 2.193 1.882 3.253 . 0 0 "[ . 1 . 2]" 1
560 1 42 ILE MD 1 43 VAL H . . 4.490 3.722 3.428 4.378 . 0 0 "[ . 1 . 2]" 1
561 1 42 ILE MD 1 73 PHE QE . . 3.990 2.620 1.779 3.633 . 0 0 "[ . 1 . 2]" 1
562 1 42 ILE MD 1 73 PHE HZ . . 4.180 2.451 1.884 3.825 . 0 0 "[ . 1 . 2]" 1
563 1 42 ILE MG 1 43 VAL H . . 3.570 2.606 2.146 3.304 . 0 0 "[ . 1 . 2]" 1
564 1 42 ILE MG 1 43 VAL HA . . 4.710 3.853 3.634 4.133 . 0 0 "[ . 1 . 2]" 1
565 1 42 ILE MG 1 43 VAL MG2 . . 4.770 4.249 3.989 4.514 . 0 0 "[ . 1 . 2]" 1
566 1 42 ILE MG 1 44 LYS HA . . 5.270 3.856 3.618 4.198 . 0 0 "[ . 1 . 2]" 1
567 1 42 ILE MG 1 73 PHE QE . . 3.890 3.336 2.746 3.787 . 0 0 "[ . 1 . 2]" 1
568 1 42 ILE MG 1 73 PHE HZ . . 3.960 3.571 3.100 3.940 . 0 0 "[ . 1 . 2]" 1
569 1 43 VAL H 1 43 VAL HB . . 3.480 2.661 2.507 2.772 . 0 0 "[ . 1 . 2]" 1
570 1 43 VAL H 1 43 VAL MG1 . . 4.380 3.841 3.768 3.906 . 0 0 "[ . 1 . 2]" 1
571 1 43 VAL H 1 43 VAL MG2 . . 3.380 2.388 1.881 2.859 . 0 0 "[ . 1 . 2]" 1
572 1 43 VAL H 1 44 LYS H . . 4.830 4.207 3.988 4.422 . 0 0 "[ . 1 . 2]" 1
573 1 43 VAL H 1 58 VAL MG2 . . 4.610 4.013 3.741 4.163 . 0 0 "[ . 1 . 2]" 1
574 1 43 VAL H 1 70 VAL MG1 . . 4.890 4.523 3.937 4.892 0.002 20 0 "[ . 1 . 2]" 1
575 1 43 VAL HA 1 43 VAL MG1 . . 3.360 2.228 2.162 2.315 . 0 0 "[ . 1 . 2]" 1
576 1 43 VAL HA 1 43 VAL MG2 . . 3.400 2.453 2.299 2.554 . 0 0 "[ . 1 . 2]" 1
577 1 43 VAL HA 1 44 LYS H . . 2.950 2.168 2.140 2.201 . 0 0 "[ . 1 . 2]" 1
578 1 43 VAL HA 1 58 VAL HB . . 4.730 4.521 4.329 4.733 0.003 20 0 "[ . 1 . 2]" 1
579 1 43 VAL HA 1 58 VAL MG2 . . 3.280 1.884 1.789 2.046 . 0 0 "[ . 1 . 2]" 1
580 1 43 VAL HB 1 44 LYS H . . 4.880 4.323 4.187 4.400 . 0 0 "[ . 1 . 2]" 1
581 1 43 VAL HB 1 45 VAL MG1 . . 4.290 4.213 4.092 4.294 0.004 19 0 "[ . 1 . 2]" 1
582 1 43 VAL HB 1 58 VAL MG2 . . 4.990 3.896 3.650 4.108 . 0 0 "[ . 1 . 2]" 1
583 1 43 VAL HB 1 70 VAL MG2 . . 4.740 4.064 3.435 4.520 . 0 0 "[ . 1 . 2]" 1
584 1 43 VAL MG1 1 44 LYS H . . 3.340 3.094 2.693 3.251 . 0 0 "[ . 1 . 2]" 1
585 1 43 VAL MG1 1 45 VAL H . . 4.800 4.077 3.741 4.200 . 0 0 "[ . 1 . 2]" 1
586 1 43 VAL MG1 1 45 VAL HA . . 4.470 4.155 4.002 4.271 . 0 0 "[ . 1 . 2]" 1
587 1 43 VAL MG1 1 45 VAL MG1 . . 3.690 3.487 3.036 3.692 0.002 19 0 "[ . 1 . 2]" 1
588 1 43 VAL MG1 1 45 VAL MG2 . . 4.720 4.496 4.396 4.682 . 0 0 "[ . 1 . 2]" 1
589 1 43 VAL MG1 1 54 TRP HE3 . . 5.400 4.506 4.011 4.940 . 0 0 "[ . 1 . 2]" 1
590 1 43 VAL MG1 1 56 GLY H . . 5.320 4.140 3.825 4.709 . 0 0 "[ . 1 . 2]" 1
591 1 43 VAL MG1 1 56 GLY HA2 . . 4.270 3.961 3.640 4.166 . 0 0 "[ . 1 . 2]" 1
592 1 43 VAL MG1 1 56 GLY HA3 . . 3.850 2.614 2.279 2.917 . 0 0 "[ . 1 . 2]" 1
593 1 43 VAL MG1 1 57 GLU H . . 4.160 3.894 3.548 4.158 . 0 0 "[ . 1 . 2]" 1
594 1 43 VAL MG1 1 58 VAL HB . . 4.630 4.063 3.711 4.562 . 0 0 "[ . 1 . 2]" 1
595 1 43 VAL MG1 1 58 VAL MG2 . . 3.020 2.065 1.804 2.434 . 0 0 "[ . 1 . 2]" 1
596 1 43 VAL MG1 1 65 PHE QE . . 3.400 2.432 1.888 2.767 . 0 0 "[ . 1 . 2]" 1
597 1 43 VAL MG1 1 65 PHE HZ . . 3.860 2.371 2.051 2.766 . 0 0 "[ . 1 . 2]" 1
598 1 43 VAL MG2 1 58 VAL HB . . 4.420 4.138 3.828 4.371 . 0 0 "[ . 1 . 2]" 1
599 1 43 VAL MG2 1 58 VAL MG2 . . 3.410 2.236 1.872 2.556 . 0 0 "[ . 1 . 2]" 1
600 1 43 VAL MG2 1 65 PHE HB2 . . 5.500 4.594 4.086 4.887 . 0 0 "[ . 1 . 2]" 1
601 1 43 VAL MG2 1 65 PHE HZ . . 4.900 4.471 4.003 4.698 . 0 0 "[ . 1 . 2]" 1
602 1 43 VAL MG2 1 70 VAL HB . . 4.610 3.922 3.563 4.324 . 0 0 "[ . 1 . 2]" 1
603 1 44 LYS H 1 44 LYS HB2 . . 3.840 2.729 2.521 2.961 . 0 0 "[ . 1 . 2]" 1
604 1 44 LYS H 1 44 LYS QB . . 3.200 2.285 2.234 2.360 . 0 0 "[ . 1 . 2]" 1
605 1 44 LYS H 1 44 LYS HB3 . . 3.840 2.467 2.336 2.661 . 0 0 "[ . 1 . 2]" 1
606 1 44 LYS H 1 58 VAL MG2 . . 4.000 2.655 2.252 3.046 . 0 0 "[ . 1 . 2]" 1
607 1 44 LYS HA 1 44 LYS QD . . 4.430 4.085 3.405 4.198 . 0 0 "[ . 1 . 2]" 1
608 1 44 LYS HA 1 44 LYS QE . . 4.860 4.666 4.130 4.859 . 0 0 "[ . 1 . 2]" 1
609 1 44 LYS HA 1 44 LYS QG . . 3.680 2.525 2.353 2.621 . 0 0 "[ . 1 . 2]" 1
610 1 44 LYS HA 1 45 VAL H . . 3.160 2.156 2.152 2.157 . 0 0 "[ . 1 . 2]" 1
611 1 44 LYS QB 1 44 LYS QE . . 4.240 3.330 2.103 3.637 . 0 0 "[ . 1 . 2]" 1
612 1 44 LYS HB2 1 44 LYS QE . . 4.820 3.960 3.406 4.285 . 0 0 "[ . 1 . 2]" 1
613 1 44 LYS HB3 1 44 LYS QE . . 4.820 3.663 2.123 4.115 . 0 0 "[ . 1 . 2]" 1
614 1 44 LYS QD 1 46 THR MG . . 3.770 3.461 2.151 3.770 . 0 0 "[ . 1 . 2]" 1
615 1 44 LYS QE 1 44 LYS QG . . 3.500 2.154 2.032 2.426 . 0 0 "[ . 1 . 2]" 1
616 1 44 LYS QE 1 46 THR MG . . 3.680 2.590 2.029 3.547 . 0 0 "[ . 1 . 2]" 1
617 1 44 LYS QG 1 45 VAL H . . 3.860 3.168 3.104 3.250 . 0 0 "[ . 1 . 2]" 1
618 1 44 LYS QG 1 46 THR MG . . 3.840 3.067 2.643 3.706 . 0 0 "[ . 1 . 2]" 1
619 1 45 VAL H 1 45 VAL HB . . 3.540 3.166 3.094 3.216 . 0 0 "[ . 1 . 2]" 1
620 1 45 VAL H 1 45 VAL MG1 . . 3.360 1.964 1.880 2.063 . 0 0 "[ . 1 . 2]" 1
621 1 45 VAL H 1 45 VAL MG2 . . 4.460 3.737 3.697 3.788 . 0 0 "[ . 1 . 2]" 1
622 1 45 VAL HA 1 45 VAL MG2 . . 3.390 2.484 2.441 2.543 . 0 0 "[ . 1 . 2]" 1
623 1 45 VAL HA 1 46 THR H . . 3.180 2.171 2.145 2.206 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL HA 1 46 THR MG . . 4.280 3.548 3.331 3.850 . 0 0 "[ . 1 . 2]" 1
625 1 45 VAL HA 1 47 ARG H . . 4.530 3.747 3.438 3.926 . 0 0 "[ . 1 . 2]" 1
626 1 45 VAL HA 1 56 GLY HA2 . . 4.140 2.140 2.002 2.330 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL HA 1 56 GLY HA3 . . 4.030 2.862 2.442 3.095 . 0 0 "[ . 1 . 2]" 1
628 1 45 VAL HA 1 57 GLU H . . 4.010 3.714 3.526 3.909 . 0 0 "[ . 1 . 2]" 1
629 1 45 VAL HB 1 46 THR H . . 4.870 3.985 3.850 4.087 . 0 0 "[ . 1 . 2]" 1
630 1 45 VAL MG1 1 48 MET ME . . 3.470 2.008 1.725 2.356 . 0 0 "[ . 1 . 2]" 1
631 1 45 VAL MG1 1 48 MET QG . . 4.100 2.988 2.381 3.655 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL MG1 1 54 TRP HE3 . . 3.780 2.911 2.351 3.285 . 0 0 "[ . 1 . 2]" 1
633 1 45 VAL MG1 1 54 TRP HZ3 . . 4.500 3.875 3.518 4.266 . 0 0 "[ . 1 . 2]" 1
634 1 45 VAL MG1 1 56 GLY HA2 . . 5.260 4.686 4.545 4.954 . 0 0 "[ . 1 . 2]" 1
635 1 45 VAL MG1 1 56 GLY HA3 . . 4.630 4.354 4.141 4.567 . 0 0 "[ . 1 . 2]" 1
636 1 45 VAL MG1 1 65 PHE QD . . 5.500 5.463 5.170 5.502 0.002 16 0 "[ . 1 . 2]" 1
637 1 45 VAL MG1 1 65 PHE QE . . 3.880 3.729 3.473 3.783 . 0 0 "[ . 1 . 2]" 1
638 1 45 VAL MG1 1 65 PHE HZ . . 3.340 2.736 2.424 2.894 . 0 0 "[ . 1 . 2]" 1
639 1 45 VAL MG2 1 46 THR H . . 3.740 2.350 2.106 2.686 . 0 0 "[ . 1 . 2]" 1
640 1 45 VAL MG2 1 47 ARG H . . 3.410 2.213 1.915 2.544 . 0 0 "[ . 1 . 2]" 1
641 1 45 VAL MG2 1 48 MET ME . . 3.880 2.780 1.946 3.341 . 0 0 "[ . 1 . 2]" 1
642 1 45 VAL MG2 1 48 MET HG2 . . 3.810 2.589 1.899 3.803 . 0 0 "[ . 1 . 2]" 1
643 1 45 VAL MG2 1 48 MET QG . . 3.300 2.136 1.821 2.680 . 0 0 "[ . 1 . 2]" 1
644 1 45 VAL MG2 1 48 MET HG3 . . 3.810 2.503 1.941 3.710 . 0 0 "[ . 1 . 2]" 1
645 1 45 VAL MG2 1 54 TRP H . . 5.500 4.906 4.418 5.152 . 0 0 "[ . 1 . 2]" 1
646 1 45 VAL MG2 1 54 TRP HB3 . . 3.860 1.954 1.837 2.006 . 0 0 "[ . 1 . 2]" 1
647 1 45 VAL MG2 1 54 TRP HE3 . . 3.730 3.423 2.866 3.725 . 0 0 "[ . 1 . 2]" 1
648 1 45 VAL MG2 1 55 GLU H . . 4.000 2.559 1.963 3.062 . 0 0 "[ . 1 . 2]" 1
649 1 45 VAL MG2 1 55 GLU HB3 . . 4.420 3.821 3.319 4.210 . 0 0 "[ . 1 . 2]" 1
650 1 45 VAL MG2 1 56 GLY H . . 5.030 4.372 3.991 4.776 . 0 0 "[ . 1 . 2]" 1
651 1 45 VAL MG2 1 65 PHE QE . . 3.990 3.761 3.267 3.993 0.003 11 0 "[ . 1 . 2]" 1
652 1 45 VAL MG2 1 65 PHE HZ . . 3.980 3.544 3.318 3.968 . 0 0 "[ . 1 . 2]" 1
653 1 46 THR H 1 46 THR MG . . 3.800 2.543 2.226 2.836 . 0 0 "[ . 1 . 2]" 1
654 1 46 THR H 1 47 ARG H . . 3.000 2.022 1.849 2.298 . 0 0 "[ . 1 . 2]" 1
655 1 46 THR H 1 55 GLU H . . 4.980 4.741 4.359 4.978 . 0 0 "[ . 1 . 2]" 1
656 1 46 THR H 1 55 GLU HB3 . . 5.380 4.257 3.989 4.579 . 0 0 "[ . 1 . 2]" 1
657 1 46 THR H 1 56 GLY HA2 . . 3.740 3.310 3.103 3.459 . 0 0 "[ . 1 . 2]" 1
658 1 46 THR H 1 56 GLY HA3 . . 4.760 4.644 4.235 4.763 0.003 20 0 "[ . 1 . 2]" 1
659 1 46 THR H 1 57 GLU H . . 5.060 4.970 4.809 5.058 . 0 0 "[ . 1 . 2]" 1
660 1 46 THR HA 1 46 THR MG . . 3.260 2.433 2.205 3.198 . 0 0 "[ . 1 . 2]" 1
661 1 46 THR MG 1 47 ARG H . . 4.030 3.840 2.836 4.016 . 0 0 "[ . 1 . 2]" 1
662 1 46 THR MG 1 56 GLY HA2 . . 4.380 4.209 3.931 4.377 . 0 0 "[ . 1 . 2]" 1
663 1 46 THR MG 1 57 GLU H . . 4.790 4.613 4.332 4.790 . 0 0 "[ . 1 . 2]" 1
664 1 47 ARG H 1 47 ARG HB2 . . 3.880 2.678 2.270 3.179 . 0 0 "[ . 1 . 2]" 1
665 1 47 ARG H 1 47 ARG QB . . 3.250 2.491 2.243 2.617 . 0 0 "[ . 1 . 2]" 1
666 1 47 ARG H 1 47 ARG HB3 . . 3.880 3.348 2.702 3.794 . 0 0 "[ . 1 . 2]" 1
667 1 47 ARG H 1 47 ARG QG . . 4.680 3.568 2.979 4.202 . 0 0 "[ . 1 . 2]" 1
668 1 47 ARG H 1 55 GLU H . . 3.820 3.728 3.539 3.820 . 0 0 "[ . 1 . 2]" 1
669 1 47 ARG H 1 55 GLU HB3 . . 3.540 3.383 3.099 3.543 0.003 11 0 "[ . 1 . 2]" 1
670 1 47 ARG H 1 56 GLY HA2 . . 4.870 4.662 4.400 4.818 . 0 0 "[ . 1 . 2]" 1
671 1 47 ARG HA 1 47 ARG QD . . 4.510 3.456 2.043 4.206 . 0 0 "[ . 1 . 2]" 1
672 1 47 ARG HA 1 47 ARG HG2 . . 4.110 2.833 2.190 3.805 . 0 0 "[ . 1 . 2]" 1
673 1 47 ARG HA 1 47 ARG QG . . 3.570 2.395 2.149 2.873 . 0 0 "[ . 1 . 2]" 1
674 1 47 ARG HA 1 47 ARG HG3 . . 4.110 2.923 2.244 3.696 . 0 0 "[ . 1 . 2]" 1
675 1 47 ARG HA 1 48 MET HB2 . . 4.860 4.459 4.260 4.750 . 0 0 "[ . 1 . 2]" 1
676 1 47 ARG QB 1 55 GLU H . . 4.200 3.561 3.248 3.827 . 0 0 "[ . 1 . 2]" 1
677 1 47 ARG QB 1 55 GLU HB3 . . 3.900 2.507 1.983 2.887 . 0 0 "[ . 1 . 2]" 1
678 1 47 ARG HB2 1 47 ARG QD . . 3.830 2.713 2.074 3.427 . 0 0 "[ . 1 . 2]" 1
679 1 47 ARG HB3 1 47 ARG QD . . 3.830 2.655 2.245 3.479 . 0 0 "[ . 1 . 2]" 1
680 1 47 ARG QG 1 48 MET H . . 5.340 3.828 2.772 4.585 . 0 0 "[ . 1 . 2]" 1
681 1 48 MET HA 1 54 TRP HD1 . . 4.620 2.927 2.548 3.542 . 0 0 "[ . 1 . 2]" 1
682 1 48 MET HB2 1 49 ASN H . . 5.150 4.463 4.230 4.584 . 0 0 "[ . 1 . 2]" 1
683 1 48 MET HB3 1 49 ASN H . . 5.330 3.725 3.285 4.220 . 0 0 "[ . 1 . 2]" 1
684 1 48 MET ME 1 65 PHE HZ . . 4.390 4.350 4.149 4.391 0.001 7 0 "[ . 1 . 2]" 1
685 1 49 ASN H 1 54 TRP HD1 . . 3.980 2.475 1.915 3.345 . 0 0 "[ . 1 . 2]" 1
686 1 49 ASN QB 1 53 GLN H . . 4.350 3.797 3.551 4.095 . 0 0 "[ . 1 . 2]" 1
687 1 49 ASN QB 1 54 TRP HD1 . . 4.370 3.473 2.928 4.156 . 0 0 "[ . 1 . 2]" 1
688 1 49 ASN HB2 1 50 ILE H . . 5.500 3.694 3.090 4.110 . 0 0 "[ . 1 . 2]" 1
689 1 49 ASN HB2 1 52 GLY H . . 4.850 2.981 2.815 3.324 . 0 0 "[ . 1 . 2]" 1
690 1 49 ASN HB3 1 50 ILE H . . 5.500 2.792 2.416 3.384 . 0 0 "[ . 1 . 2]" 1
691 1 49 ASN HB3 1 52 GLY H . . 4.850 3.964 3.510 4.273 . 0 0 "[ . 1 . 2]" 1
692 1 49 ASN QD 1 55 GLU HB2 . . 4.670 3.508 2.958 4.136 . 0 0 "[ . 1 . 2]" 1
693 1 49 ASN QD 1 64 LEU MD2 . . 4.520 2.617 2.383 2.939 . 0 0 "[ . 1 . 2]" 1
694 1 49 ASN QD 1 64 LEU HG . . 5.340 5.120 4.868 5.343 0.003 1 0 "[ . 1 . 2]" 1
695 1 50 ILE HA 1 50 ILE MD . . 4.270 3.403 1.991 4.170 . 0 0 "[ . 1 . 2]" 1
696 1 50 ILE HA 1 50 ILE QG . . 3.740 2.713 2.264 3.308 . 0 0 "[ . 1 . 2]" 1
697 1 50 ILE HA 1 50 ILE MG . . 3.320 2.382 2.158 3.178 . 0 0 "[ . 1 . 2]" 1
698 1 50 ILE HA 1 52 GLY H . . 4.510 4.333 3.817 4.508 . 0 0 "[ . 1 . 2]" 1
699 1 50 ILE HB 1 50 ILE MD . . 3.450 2.472 2.108 3.227 . 0 0 "[ . 1 . 2]" 1
700 1 50 ILE QG 1 50 ILE MG . . 3.000 2.154 1.993 2.301 . 0 0 "[ . 1 . 2]" 1
701 1 50 ILE QG 1 51 ASN H . . 4.950 3.823 2.234 4.389 . 0 0 "[ . 1 . 2]" 1
702 1 50 ILE HG12 1 50 ILE MG . . 3.510 2.389 2.033 3.196 . 0 0 "[ . 1 . 2]" 1
703 1 50 ILE HG13 1 50 ILE MG . . 3.510 2.878 2.287 3.186 . 0 0 "[ . 1 . 2]" 1
704 1 50 ILE MG 1 51 ASN H . . 4.910 3.508 2.197 4.324 . 0 0 "[ . 1 . 2]" 1
705 1 51 ASN H 1 52 GLY H . . 4.130 2.917 1.877 3.167 . 0 0 "[ . 1 . 2]" 1
706 1 51 ASN QB 1 51 ASN QD . . 3.060 2.133 2.063 2.424 . 0 0 "[ . 1 . 2]" 1
707 1 51 ASN HB2 1 51 ASN HD22 . . 4.060 3.791 3.434 4.096 0.036 20 0 "[ . 1 . 2]" 1
708 1 51 ASN HB3 1 51 ASN HD22 . . 4.060 3.677 3.435 4.042 . 0 0 "[ . 1 . 2]" 1
709 1 51 ASN QD 1 53 GLN HA . . 4.680 4.344 3.913 4.654 . 0 0 "[ . 1 . 2]" 1
710 1 51 ASN QD 1 53 GLN QB . . 4.050 2.650 1.899 3.566 . 0 0 "[ . 1 . 2]" 1
711 1 51 ASN QD 1 53 GLN QG . . 5.090 3.267 1.883 4.442 . 0 0 "[ . 1 . 2]" 1
712 1 51 ASN HD21 1 53 GLN QB . . 4.730 3.722 2.476 4.733 0.003 20 0 "[ . 1 . 2]" 1
713 1 51 ASN HD22 1 53 GLN QB . . 4.730 2.922 1.906 4.170 . 0 0 "[ . 1 . 2]" 1
714 1 52 GLY H 1 53 GLN QB . . 4.760 4.431 4.097 4.759 . 0 0 "[ . 1 . 2]" 1
715 1 52 GLY H 1 54 TRP HD1 . . 4.570 4.109 3.803 4.476 . 0 0 "[ . 1 . 2]" 1
716 1 52 GLY QA 1 54 TRP HD1 . . 4.740 4.215 3.932 4.718 . 0 0 "[ . 1 . 2]" 1
717 1 52 GLY QA 1 67 PHE QD . . 3.900 3.292 2.295 3.740 . 0 0 "[ . 1 . 2]" 1
718 1 52 GLY HA2 1 67 PHE QD . . 4.530 3.652 2.569 4.120 . 0 0 "[ . 1 . 2]" 1
719 1 52 GLY HA3 1 67 PHE QD . . 4.530 3.758 2.582 4.288 . 0 0 "[ . 1 . 2]" 1
720 1 53 GLN H 1 53 GLN QB . . 3.180 2.325 2.155 2.724 . 0 0 "[ . 1 . 2]" 1
721 1 53 GLN H 1 53 GLN HG2 . . 4.250 3.432 2.162 4.254 0.004 18 0 "[ . 1 . 2]" 1
722 1 53 GLN H 1 53 GLN QG . . 3.400 2.929 2.147 3.402 0.002 12 0 "[ . 1 . 2]" 1
723 1 53 GLN H 1 53 GLN HG3 . . 4.250 3.597 3.004 4.064 . 0 0 "[ . 1 . 2]" 1
724 1 53 GLN H 1 54 TRP H . . 4.600 4.550 4.466 4.609 0.009 16 0 "[ . 1 . 2]" 1
725 1 53 GLN H 1 54 TRP HD1 . . 5.070 4.579 4.242 4.881 . 0 0 "[ . 1 . 2]" 1
726 1 53 GLN H 1 67 PHE QD . . 5.500 5.069 4.355 5.368 . 0 0 "[ . 1 . 2]" 1
727 1 53 GLN HA 1 53 GLN QG . . 3.640 2.768 2.171 3.445 . 0 0 "[ . 1 . 2]" 1
728 1 53 GLN HA 1 54 TRP H . . 3.000 2.179 2.138 2.350 . 0 0 "[ . 1 . 2]" 1
729 1 53 GLN HA 1 65 PHE H . . 4.630 4.324 3.950 4.586 . 0 0 "[ . 1 . 2]" 1
730 1 53 GLN QB 1 54 TRP H . . 3.540 3.125 2.519 3.440 . 0 0 "[ . 1 . 2]" 1
731 1 53 GLN QB 1 64 LEU HB2 . . 4.490 3.676 3.314 4.136 . 0 0 "[ . 1 . 2]" 1
732 1 53 GLN QB 1 64 LEU HB3 . . 4.150 2.211 1.990 2.960 . 0 0 "[ . 1 . 2]" 1
733 1 53 GLN QB 1 64 LEU MD1 . . 4.120 2.827 1.957 3.868 . 0 0 "[ . 1 . 2]" 1
734 1 53 GLN QB 1 64 LEU MD2 . . 4.310 2.637 1.951 4.245 . 0 0 "[ . 1 . 2]" 1
735 1 53 GLN QB 1 65 PHE H . . 4.290 3.864 3.146 4.294 0.004 18 0 "[ . 1 . 2]" 1
736 1 53 GLN QG 1 64 LEU MD1 . . 4.820 2.610 1.963 3.171 . 0 0 "[ . 1 . 2]" 1
737 1 53 GLN QG 1 64 LEU MD2 . . 4.880 3.114 1.922 4.029 . 0 0 "[ . 1 . 2]" 1
738 1 53 GLN QG 1 64 LEU HG . . 4.880 4.624 3.934 4.885 0.005 18 0 "[ . 1 . 2]" 1
739 1 54 TRP H 1 54 TRP HB2 . . 3.440 2.754 2.632 2.866 . 0 0 "[ . 1 . 2]" 1
740 1 54 TRP H 1 54 TRP HB3 . . 3.820 3.740 3.702 3.825 0.005 20 0 "[ . 1 . 2]" 1
741 1 54 TRP H 1 54 TRP HD1 . . 3.990 3.484 3.059 3.788 . 0 0 "[ . 1 . 2]" 1
742 1 54 TRP H 1 55 GLU H . . 4.620 4.513 4.457 4.555 . 0 0 "[ . 1 . 2]" 1
743 1 54 TRP H 1 64 LEU MD2 . . 5.500 3.764 3.188 4.355 . 0 0 "[ . 1 . 2]" 1
744 1 54 TRP H 1 65 PHE H . . 3.840 3.259 2.756 3.565 . 0 0 "[ . 1 . 2]" 1
745 1 54 TRP HB2 1 55 GLU H . . 4.390 3.286 3.084 3.610 . 0 0 "[ . 1 . 2]" 1
746 1 54 TRP HB2 1 65 PHE QD . . 4.660 4.443 3.915 4.662 0.002 7 0 "[ . 1 . 2]" 1
747 1 54 TRP HB2 1 65 PHE QE . . 4.590 3.373 2.895 3.701 . 0 0 "[ . 1 . 2]" 1
748 1 54 TRP HB2 1 65 PHE HZ . . 5.080 3.216 2.832 3.621 . 0 0 "[ . 1 . 2]" 1
749 1 54 TRP HB3 1 55 GLU H . . 3.530 2.467 2.334 2.723 . 0 0 "[ . 1 . 2]" 1
750 1 54 TRP HB3 1 65 PHE QE . . 4.970 4.515 3.761 4.909 . 0 0 "[ . 1 . 2]" 1
751 1 54 TRP HB3 1 65 PHE HZ . . 4.760 4.406 3.644 4.761 0.001 12 0 "[ . 1 . 2]" 1
752 1 54 TRP HD1 1 55 GLU H . . 5.260 4.681 4.557 4.764 . 0 0 "[ . 1 . 2]" 1
753 1 54 TRP HE3 1 65 PHE QD . . 4.830 4.398 3.913 4.803 . 0 0 "[ . 1 . 2]" 1
754 1 54 TRP HE3 1 65 PHE QE . . 4.210 2.608 2.069 3.183 . 0 0 "[ . 1 . 2]" 1
755 1 54 TRP HE3 1 65 PHE HZ . . 4.030 2.519 2.039 2.897 . 0 0 "[ . 1 . 2]" 1
756 1 54 TRP HE3 1 67 PHE HA . . 4.870 4.648 4.289 4.868 . 0 0 "[ . 1 . 2]" 1
757 1 54 TRP HE3 1 70 VAL MG2 . . 4.460 3.819 3.448 4.136 . 0 0 "[ . 1 . 2]" 1
758 1 54 TRP HH2 1 70 VAL MG2 . . 4.480 3.709 2.938 4.242 . 0 0 "[ . 1 . 2]" 1
759 1 54 TRP HH2 1 72 ILE MD . . 3.490 2.954 2.344 3.451 . 0 0 "[ . 1 . 2]" 1
760 1 54 TRP HH2 1 72 ILE QG . . 4.540 3.336 2.703 3.889 . 0 0 "[ . 1 . 2]" 1
761 1 54 TRP HZ3 1 70 VAL MG2 . . 4.230 2.650 2.029 3.161 . 0 0 "[ . 1 . 2]" 1
762 1 54 TRP HZ3 1 72 ILE MD . . 3.750 2.667 2.070 3.438 . 0 0 "[ . 1 . 2]" 1
763 1 54 TRP HZ3 1 72 ILE QG . . 4.800 4.036 3.092 4.773 . 0 0 "[ . 1 . 2]" 1
764 1 55 GLU H 1 55 GLU HB2 . . 3.570 2.720 2.566 2.889 . 0 0 "[ . 1 . 2]" 1
765 1 55 GLU H 1 55 GLU HB3 . . 3.430 2.789 2.625 2.877 . 0 0 "[ . 1 . 2]" 1
766 1 55 GLU H 1 65 PHE QE . . 5.500 4.661 4.316 5.046 . 0 0 "[ . 1 . 2]" 1
767 1 55 GLU HA 1 55 GLU HG2 . . 4.140 2.797 2.525 3.094 . 0 0 "[ . 1 . 2]" 1
768 1 55 GLU HA 1 55 GLU HG3 . . 4.100 2.526 2.349 2.761 . 0 0 "[ . 1 . 2]" 1
769 1 55 GLU HA 1 56 GLY H . . 2.950 2.150 2.142 2.172 . 0 0 "[ . 1 . 2]" 1
770 1 55 GLU HA 1 64 LEU HA . . 3.510 3.298 2.386 3.507 . 0 0 "[ . 1 . 2]" 1
771 1 55 GLU HA 1 64 LEU MD2 . . 3.350 2.650 2.132 2.936 . 0 0 "[ . 1 . 2]" 1
772 1 55 GLU HA 1 65 PHE H . . 4.740 4.449 3.745 4.742 0.002 1 0 "[ . 1 . 2]" 1
773 1 55 GLU HA 1 65 PHE QD . . 4.560 4.307 4.006 4.560 . 0 0 "[ . 1 . 2]" 1
774 1 55 GLU HA 1 65 PHE QE . . 4.950 3.890 3.500 4.254 . 0 0 "[ . 1 . 2]" 1
775 1 55 GLU HB2 1 56 GLY H . . 4.670 4.492 4.351 4.577 . 0 0 "[ . 1 . 2]" 1
776 1 55 GLU HB2 1 64 LEU MD2 . . 3.730 3.027 2.023 3.376 . 0 0 "[ . 1 . 2]" 1
777 1 55 GLU HB3 1 56 GLY H . . 4.630 4.187 4.067 4.279 . 0 0 "[ . 1 . 2]" 1
778 1 55 GLU HB3 1 64 LEU MD2 . . 4.950 4.308 3.318 4.645 . 0 0 "[ . 1 . 2]" 1
779 1 55 GLU HG2 1 56 GLY H . . 3.830 3.321 3.036 3.730 . 0 0 "[ . 1 . 2]" 1
780 1 55 GLU HG2 1 64 LEU MD2 . . 4.630 4.139 3.420 4.522 . 0 0 "[ . 1 . 2]" 1
781 1 55 GLU HG3 1 56 GLY H . . 4.370 3.872 3.177 4.322 . 0 0 "[ . 1 . 2]" 1
782 1 55 GLU HG3 1 64 LEU MD2 . . 3.360 2.847 1.996 3.246 . 0 0 "[ . 1 . 2]" 1
783 1 56 GLY H 1 57 GLU H . . 4.680 4.458 4.428 4.479 . 0 0 "[ . 1 . 2]" 1
784 1 56 GLY H 1 63 GLY H . . 3.710 3.487 3.009 3.722 0.012 18 0 "[ . 1 . 2]" 1
785 1 56 GLY H 1 64 LEU HA . . 4.320 4.103 3.484 4.320 . 11 0 "[ . 1 . 2]" 1
786 1 56 GLY H 1 64 LEU MD2 . . 4.610 4.221 3.689 4.461 . 0 0 "[ . 1 . 2]" 1
787 1 56 GLY H 1 65 PHE QE . . 3.690 2.611 2.162 3.046 . 0 0 "[ . 1 . 2]" 1
788 1 56 GLY HA2 1 57 GLU H . . 3.400 2.336 2.248 2.425 . 0 0 "[ . 1 . 2]" 1
789 1 56 GLY HA2 1 65 PHE QE . . 4.740 3.670 3.493 3.966 . 0 0 "[ . 1 . 2]" 1
790 1 56 GLY HA3 1 57 GLU H . . 3.430 2.824 2.712 2.949 . 0 0 "[ . 1 . 2]" 1
791 1 56 GLY HA3 1 65 PHE QD . . 4.870 4.124 3.815 4.450 . 0 0 "[ . 1 . 2]" 1
792 1 56 GLY HA3 1 65 PHE QE . . 4.120 2.250 2.004 2.490 . 0 0 "[ . 1 . 2]" 1
793 1 57 GLU H 1 57 GLU HB2 . . 3.930 2.890 2.526 3.354 . 0 0 "[ . 1 . 2]" 1
794 1 57 GLU H 1 57 GLU QB . . 3.340 2.455 2.353 2.569 . 0 0 "[ . 1 . 2]" 1
795 1 57 GLU H 1 57 GLU HB3 . . 3.930 2.681 2.503 2.857 . 0 0 "[ . 1 . 2]" 1
796 1 57 GLU H 1 57 GLU HG2 . . 5.370 4.508 4.278 4.581 . 0 0 "[ . 1 . 2]" 1
797 1 57 GLU H 1 57 GLU QG . . 4.590 4.123 4.008 4.207 . 0 0 "[ . 1 . 2]" 1
798 1 57 GLU H 1 57 GLU HG3 . . 5.370 4.783 4.488 4.907 . 0 0 "[ . 1 . 2]" 1
799 1 57 GLU H 1 58 VAL MG2 . . 4.640 3.657 3.350 4.213 . 0 0 "[ . 1 . 2]" 1
800 1 57 GLU HA 1 58 VAL H . . 2.860 2.151 2.138 2.211 . 0 0 "[ . 1 . 2]" 1
801 1 57 GLU HA 1 58 VAL MG2 . . 4.740 3.729 3.561 3.940 . 0 0 "[ . 1 . 2]" 1
802 1 57 GLU HA 1 61 ARG H . . 4.890 4.099 3.822 4.954 0.064 18 0 "[ . 1 . 2]" 1
803 1 57 GLU HA 1 62 LYS HA . . 3.390 2.474 2.007 2.853 . 0 0 "[ . 1 . 2]" 1
804 1 57 GLU HA 1 63 GLY H . . 4.190 4.024 3.680 4.195 0.005 12 0 "[ . 1 . 2]" 1
805 1 57 GLU QB 1 58 VAL H . . 4.410 3.751 3.575 3.841 . 0 0 "[ . 1 . 2]" 1
806 1 57 GLU QB 1 58 VAL MG2 . . 4.950 4.297 4.154 4.548 . 0 0 "[ . 1 . 2]" 1
807 1 57 GLU QB 1 62 LYS HA . . 4.330 3.971 3.512 4.335 0.005 20 0 "[ . 1 . 2]" 1
808 1 57 GLU QB 1 62 LYS QG . . 4.530 2.612 1.975 4.515 . 0 0 "[ . 1 . 2]" 1
809 1 57 GLU QG 1 58 VAL H . . 3.930 2.822 2.352 3.034 . 0 0 "[ . 1 . 2]" 1
810 1 57 GLU QG 1 61 ARG H . . 4.790 3.057 2.531 4.709 . 0 0 "[ . 1 . 2]" 1
811 1 57 GLU QG 1 62 LYS HA . . 4.450 3.632 2.987 4.220 . 0 0 "[ . 1 . 2]" 1
812 1 57 GLU QG 1 62 LYS QD . . 4.510 3.218 2.214 4.411 . 0 0 "[ . 1 . 2]" 1
813 1 57 GLU QG 1 62 LYS QE . . 4.480 3.254 1.990 4.130 . 0 0 "[ . 1 . 2]" 1
814 1 57 GLU QG 1 62 LYS QG . . 3.990 2.260 1.767 3.300 . 0 0 "[ . 1 . 2]" 1
815 1 57 GLU HG2 1 58 VAL H . . 4.610 2.882 2.435 3.204 . 0 0 "[ . 1 . 2]" 1
816 1 57 GLU HG2 1 60 GLY H . . 5.500 4.059 2.865 5.060 . 0 0 "[ . 1 . 2]" 1
817 1 57 GLU HG2 1 61 ARG H . . 5.500 3.181 2.688 5.505 0.005 18 0 "[ . 1 . 2]" 1
818 1 57 GLU HG2 1 62 LYS HA . . 5.160 4.057 3.037 5.150 . 0 0 "[ . 1 . 2]" 1
819 1 57 GLU HG2 1 62 LYS QD . . 5.240 4.208 2.508 5.085 . 0 0 "[ . 1 . 2]" 1
820 1 57 GLU HG2 1 62 LYS QE . . 5.210 4.300 3.180 5.212 0.002 20 0 "[ . 1 . 2]" 1
821 1 57 GLU HG2 1 62 LYS HG2 . . 5.500 3.268 2.135 4.795 . 0 0 "[ . 1 . 2]" 1
822 1 57 GLU HG2 1 62 LYS HG3 . . 5.500 3.541 2.007 5.495 . 0 0 "[ . 1 . 2]" 1
823 1 57 GLU HG3 1 58 VAL H . . 4.610 4.182 3.106 4.613 0.003 15 0 "[ . 1 . 2]" 1
824 1 57 GLU HG3 1 60 GLY H . . 5.500 5.005 4.307 5.461 . 0 0 "[ . 1 . 2]" 1
825 1 57 GLU HG3 1 61 ARG H . . 5.500 4.280 3.006 5.115 . 0 0 "[ . 1 . 2]" 1
826 1 57 GLU HG3 1 62 LYS HA . . 5.160 4.525 3.525 5.158 . 0 0 "[ . 1 . 2]" 1
827 1 57 GLU HG3 1 62 LYS QD . . 5.240 3.381 2.464 4.916 . 0 0 "[ . 1 . 2]" 1
828 1 57 GLU HG3 1 62 LYS QE . . 5.210 3.418 2.002 4.523 . 0 0 "[ . 1 . 2]" 1
829 1 57 GLU HG3 1 62 LYS HG2 . . 5.500 2.914 1.995 3.993 . 0 0 "[ . 1 . 2]" 1
830 1 57 GLU HG3 1 62 LYS HG3 . . 5.500 3.212 2.004 5.463 . 0 0 "[ . 1 . 2]" 1
831 1 58 VAL H 1 58 VAL HB . . 3.330 2.810 2.673 2.920 . 0 0 "[ . 1 . 2]" 1
832 1 58 VAL H 1 58 VAL MG1 . . 3.940 3.897 3.815 3.940 . 0 0 "[ . 1 . 2]" 1
833 1 58 VAL H 1 58 VAL MG2 . . 3.500 3.023 2.710 3.213 . 0 0 "[ . 1 . 2]" 1
834 1 58 VAL H 1 59 ASN H . . 5.090 4.274 3.941 4.495 . 0 0 "[ . 1 . 2]" 1
835 1 58 VAL H 1 61 ARG H . . 3.680 2.768 2.294 3.638 . 0 0 "[ . 1 . 2]" 1
836 1 58 VAL H 1 62 LYS HA . . 3.960 3.587 3.257 3.977 0.017 11 0 "[ . 1 . 2]" 1
837 1 58 VAL HA 1 58 VAL MG2 . . 3.320 2.352 2.238 2.435 . 0 0 "[ . 1 . 2]" 1
838 1 58 VAL HA 1 59 ASN H . . 3.530 2.199 2.145 2.392 . 0 0 "[ . 1 . 2]" 1
839 1 58 VAL MG1 1 59 ASN H . . 4.460 2.341 1.795 3.245 . 0 0 "[ . 1 . 2]" 1
840 1 58 VAL MG1 1 59 ASN HB2 . . 4.250 3.169 2.301 4.150 . 0 0 "[ . 1 . 2]" 1
841 1 58 VAL MG1 1 59 ASN QB . . 3.700 2.830 2.285 3.618 . 0 0 "[ . 1 . 2]" 1
842 1 58 VAL MG1 1 59 ASN HB3 . . 4.250 3.770 2.418 4.141 . 0 0 "[ . 1 . 2]" 1
843 1 58 VAL MG1 1 59 ASN HD21 . . 4.330 2.518 1.839 3.661 . 0 0 "[ . 1 . 2]" 1
844 1 58 VAL MG1 1 59 ASN QD . . 3.710 2.236 1.760 2.983 . 0 0 "[ . 1 . 2]" 1
845 1 58 VAL MG1 1 59 ASN HD22 . . 4.330 2.866 1.996 3.629 . 0 0 "[ . 1 . 2]" 1
846 1 58 VAL MG1 1 61 ARG H . . 5.440 4.747 4.411 5.165 . 0 0 "[ . 1 . 2]" 1
847 1 58 VAL MG2 1 61 ARG H . . 5.500 5.116 4.754 5.507 0.007 18 0 "[ . 1 . 2]" 1
848 1 59 ASN H 1 60 GLY H . . 4.540 3.010 2.694 4.244 . 0 0 "[ . 1 . 2]" 1
849 1 59 ASN QB 1 60 GLY H . . 4.090 3.889 3.637 4.049 . 0 0 "[ . 1 . 2]" 1
850 1 59 ASN HB2 1 60 GLY H . . 4.690 4.296 3.898 4.585 . 0 0 "[ . 1 . 2]" 1
851 1 59 ASN HB3 1 60 GLY H . . 4.690 4.452 4.289 4.672 . 0 0 "[ . 1 . 2]" 1
852 1 60 GLY H 1 61 ARG H . . 3.260 2.764 2.324 3.274 0.014 11 0 "[ . 1 . 2]" 1
853 1 61 ARG H 1 61 ARG QB . . 3.060 2.694 2.408 2.887 . 0 0 "[ . 1 . 2]" 1
854 1 61 ARG H 1 61 ARG QD . . 5.030 4.485 2.967 4.968 . 0 0 "[ . 1 . 2]" 1
855 1 61 ARG H 1 61 ARG HG2 . . 4.890 4.419 3.267 4.903 0.013 18 0 "[ . 1 . 2]" 1
856 1 61 ARG H 1 61 ARG QG . . 4.270 3.623 2.845 4.217 . 0 0 "[ . 1 . 2]" 1
857 1 61 ARG H 1 61 ARG HG3 . . 4.890 3.958 2.890 4.890 0.000 8 0 "[ . 1 . 2]" 1
858 1 61 ARG H 1 62 LYS H . . 4.540 4.234 3.851 4.399 . 0 0 "[ . 1 . 2]" 1
859 1 61 ARG HA 1 61 ARG QD . . 4.850 3.571 2.173 4.223 . 0 0 "[ . 1 . 2]" 1
860 1 61 ARG HA 1 61 ARG QG . . 3.670 2.446 2.183 2.908 . 0 0 "[ . 1 . 2]" 1
861 1 61 ARG HA 1 62 LYS H . . 2.710 2.225 2.139 2.653 . 0 0 "[ . 1 . 2]" 1
862 1 61 ARG QB 1 61 ARG QD . . 3.380 2.156 2.032 2.381 . 0 0 "[ . 1 . 2]" 1
863 1 61 ARG QB 1 62 LYS H . . 3.640 3.215 1.967 3.642 0.002 16 0 "[ . 1 . 2]" 1
864 1 61 ARG HB2 1 61 ARG QD . . 3.860 2.455 2.054 3.265 . 0 0 "[ . 1 . 2]" 1
865 1 61 ARG HB2 1 62 LYS H . . 4.370 4.141 3.084 4.375 0.005 17 0 "[ . 1 . 2]" 1
866 1 61 ARG HB3 1 61 ARG QD . . 3.860 2.718 2.125 3.423 . 0 0 "[ . 1 . 2]" 1
867 1 61 ARG HB3 1 62 LYS H . . 4.370 3.398 1.977 4.146 . 0 0 "[ . 1 . 2]" 1
868 1 61 ARG QG 1 62 LYS H . . 4.770 3.470 2.130 4.510 . 0 0 "[ . 1 . 2]" 1
869 1 61 ARG HG2 1 62 LYS H . . 5.500 3.981 2.202 4.926 . 0 0 "[ . 1 . 2]" 1
870 1 61 ARG HG3 1 62 LYS H . . 5.500 4.207 2.175 5.494 . 0 0 "[ . 1 . 2]" 1
871 1 62 LYS H 1 62 LYS HB2 . . 3.870 2.757 2.457 3.705 . 0 0 "[ . 1 . 2]" 1
872 1 62 LYS H 1 62 LYS QB . . 3.110 2.618 2.422 3.048 . 0 0 "[ . 1 . 2]" 1
873 1 62 LYS H 1 62 LYS HB3 . . 3.870 3.649 3.076 3.856 . 0 0 "[ . 1 . 2]" 1
874 1 62 LYS H 1 62 LYS HG2 . . 4.870 3.640 1.928 4.404 . 0 0 "[ . 1 . 2]" 1
875 1 62 LYS H 1 62 LYS QG . . 4.200 2.813 1.879 3.473 . 0 0 "[ . 1 . 2]" 1
876 1 62 LYS H 1 62 LYS HG3 . . 4.870 3.030 2.511 4.162 . 0 0 "[ . 1 . 2]" 1
877 1 62 LYS H 1 63 GLY H . . 4.540 4.256 3.862 4.427 . 0 0 "[ . 1 . 2]" 1
878 1 62 LYS HA 1 63 GLY H . . 2.950 2.150 2.144 2.200 . 0 0 "[ . 1 . 2]" 1
879 1 62 LYS QB 1 62 LYS QE . . 4.250 2.997 2.005 3.715 . 0 0 "[ . 1 . 2]" 1
880 1 62 LYS HB2 1 63 GLY H . . 4.460 4.202 3.413 4.466 0.006 12 0 "[ . 1 . 2]" 1
881 1 62 LYS HB3 1 63 GLY H . . 4.460 3.642 3.386 4.154 . 0 0 "[ . 1 . 2]" 1
882 1 62 LYS QE 1 62 LYS QG . . 3.410 2.216 2.090 2.591 . 0 0 "[ . 1 . 2]" 1
883 1 62 LYS QG 1 63 GLY H . . 4.420 4.267 3.977 4.426 0.006 11 0 "[ . 1 . 2]" 1
884 1 63 GLY HA2 1 64 LEU H . . 3.300 2.448 2.409 2.460 . 0 0 "[ . 1 . 2]" 1
885 1 63 GLY HA2 1 64 LEU HB2 . . 5.500 4.849 4.683 4.966 . 0 0 "[ . 1 . 2]" 1
886 1 63 GLY HA2 1 64 LEU MD2 . . 4.660 4.178 4.024 4.314 . 0 0 "[ . 1 . 2]" 1
887 1 63 GLY HA2 1 64 LEU HG . . 5.500 3.754 3.571 4.078 . 0 0 "[ . 1 . 2]" 1
888 1 63 GLY HA3 1 64 LEU H . . 3.280 2.685 2.672 2.729 . 0 0 "[ . 1 . 2]" 1
889 1 63 GLY HA3 1 64 LEU HB2 . . 5.430 5.087 4.942 5.211 . 0 0 "[ . 1 . 2]" 1
890 1 63 GLY HA3 1 64 LEU MD2 . . 5.150 5.093 5.016 5.150 . 0 0 "[ . 1 . 2]" 1
891 1 63 GLY HA3 1 64 LEU HG . . 5.500 4.817 4.638 5.141 . 0 0 "[ . 1 . 2]" 1
892 1 64 LEU H 1 64 LEU HB2 . . 3.210 2.479 2.322 2.569 . 0 0 "[ . 1 . 2]" 1
893 1 64 LEU H 1 64 LEU HB3 . . 3.830 3.620 3.577 3.646 . 0 0 "[ . 1 . 2]" 1
894 1 64 LEU H 1 64 LEU MD1 . . 4.090 3.722 3.577 3.960 . 0 0 "[ . 1 . 2]" 1
895 1 64 LEU H 1 64 LEU MD2 . . 3.670 3.436 3.355 3.510 . 0 0 "[ . 1 . 2]" 1
896 1 64 LEU H 1 64 LEU HG . . 4.400 2.449 2.257 2.776 . 0 0 "[ . 1 . 2]" 1
897 1 64 LEU H 1 65 PHE H . . 4.920 4.489 4.426 4.590 . 0 0 "[ . 1 . 2]" 1
898 1 64 LEU HA 1 64 LEU MD1 . . 4.200 3.877 3.783 3.930 . 0 0 "[ . 1 . 2]" 1
899 1 64 LEU HA 1 64 LEU MD2 . . 3.110 2.167 1.979 2.349 . 0 0 "[ . 1 . 2]" 1
900 1 64 LEU HA 1 64 LEU HG . . 4.070 3.160 3.129 3.197 . 0 0 "[ . 1 . 2]" 1
901 1 64 LEU HA 1 65 PHE H . . 3.040 2.155 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
902 1 64 LEU HA 1 65 PHE QD . . 4.510 3.398 3.099 3.630 . 0 0 "[ . 1 . 2]" 1
903 1 64 LEU HB2 1 64 LEU MD1 . . 3.120 2.313 2.203 2.423 . 0 0 "[ . 1 . 2]" 1
904 1 64 LEU HB2 1 65 PHE H . . 4.600 4.179 3.817 4.385 . 0 0 "[ . 1 . 2]" 1
905 1 64 LEU HB3 1 64 LEU MD1 . . 3.320 2.345 2.193 2.472 . 0 0 "[ . 1 . 2]" 1
906 1 64 LEU HB3 1 65 PHE H . . 3.720 3.301 2.850 3.511 . 0 0 "[ . 1 . 2]" 1
907 1 64 LEU HB3 1 65 PHE QD . . 5.500 5.318 5.005 5.493 . 0 0 "[ . 1 . 2]" 1
908 1 64 LEU MD2 1 65 PHE H . . 4.020 3.642 3.427 3.888 . 0 0 "[ . 1 . 2]" 1
909 1 64 LEU MD2 1 65 PHE QD . . 5.500 4.742 4.488 4.996 . 0 0 "[ . 1 . 2]" 1
910 1 64 LEU HG 1 65 PHE H . . 5.190 5.166 5.048 5.203 0.013 11 0 "[ . 1 . 2]" 1
911 1 65 PHE H 1 65 PHE QD . . 3.590 2.480 2.070 2.974 . 0 0 "[ . 1 . 2]" 1
912 1 65 PHE HA 1 66 PRO HD2 . . 3.730 2.251 2.232 2.279 . 0 0 "[ . 1 . 2]" 1
913 1 65 PHE HA 1 66 PRO HD3 . . 3.980 2.257 2.255 2.262 . 0 0 "[ . 1 . 2]" 1
914 1 65 PHE HB2 1 66 PRO HD2 . . 3.820 2.328 2.267 2.373 . 0 0 "[ . 1 . 2]" 1
915 1 65 PHE HB2 1 66 PRO HD3 . . 4.570 3.730 3.680 3.769 . 0 0 "[ . 1 . 2]" 1
916 1 65 PHE HB2 1 70 VAL MG1 . . 5.190 3.632 3.424 4.060 . 0 0 "[ . 1 . 2]" 1
917 1 65 PHE HB3 1 66 PRO HD3 . . 4.730 4.438 4.380 4.506 . 0 0 "[ . 1 . 2]" 1
918 1 65 PHE QD 1 66 PRO HD2 . . 4.320 3.871 3.710 4.044 . 0 0 "[ . 1 . 2]" 1
919 1 65 PHE QD 1 66 PRO HD3 . . 5.250 4.974 4.821 5.117 . 0 0 "[ . 1 . 2]" 1
920 1 65 PHE QD 1 67 PHE HA . . 4.090 3.761 3.387 4.052 . 0 0 "[ . 1 . 2]" 1
921 1 65 PHE QD 1 69 HIS QB . . 4.480 4.012 3.439 4.327 . 0 0 "[ . 1 . 2]" 1
922 1 65 PHE QD 1 70 VAL MG1 . . 3.310 2.474 2.222 3.020 . 0 0 "[ . 1 . 2]" 1
923 1 65 PHE QD 1 70 VAL MG2 . . 3.580 2.691 2.263 3.483 . 0 0 "[ . 1 . 2]" 1
924 1 65 PHE QE 1 67 PHE HA . . 4.390 3.876 3.425 4.296 . 0 0 "[ . 1 . 2]" 1
925 1 65 PHE QE 1 70 VAL MG1 . . 4.120 3.065 2.397 3.368 . 0 0 "[ . 1 . 2]" 1
926 1 65 PHE QE 1 70 VAL MG2 . . 3.470 2.105 1.956 2.482 . 0 0 "[ . 1 . 2]" 1
927 1 65 PHE HZ 1 70 VAL MG2 . . 4.790 4.121 3.682 4.559 . 0 0 "[ . 1 . 2]" 1
928 1 66 PRO QB 1 68 THR H . . 3.940 2.597 2.167 3.242 . 0 0 "[ . 1 . 2]" 1
929 1 66 PRO QB 1 69 HIS H . . 5.070 2.978 2.575 3.516 . 0 0 "[ . 1 . 2]" 1
930 1 67 PHE H 1 67 PHE QD . . 4.040 2.231 1.928 2.810 . 0 0 "[ . 1 . 2]" 1
931 1 67 PHE H 1 68 THR H . . 4.120 2.499 2.279 2.708 . 0 0 "[ . 1 . 2]" 1
932 1 67 PHE HA 1 67 PHE QD . . 4.320 3.714 3.671 3.728 . 0 0 "[ . 1 . 2]" 1
933 1 67 PHE HA 1 69 HIS H . . 4.970 3.630 3.314 4.151 . 0 0 "[ . 1 . 2]" 1
934 1 67 PHE HA 1 70 VAL H . . 5.000 3.316 3.082 3.623 . 0 0 "[ . 1 . 2]" 1
935 1 67 PHE HA 1 70 VAL MG1 . . 4.740 4.095 3.179 4.741 0.001 20 0 "[ . 1 . 2]" 1
936 1 67 PHE HA 1 70 VAL MG2 . . 3.810 2.306 1.988 2.751 . 0 0 "[ . 1 . 2]" 1
937 1 67 PHE QD 1 68 THR H . . 4.300 3.215 2.387 3.669 . 0 0 "[ . 1 . 2]" 1
938 1 67 PHE QD 1 68 THR HA . . 4.730 3.319 2.663 4.052 . 0 0 "[ . 1 . 2]" 1
939 1 67 PHE QD 1 68 THR MG . . 4.330 2.997 2.522 3.716 . 0 0 "[ . 1 . 2]" 1
940 1 67 PHE QE 1 68 THR MG . . 3.890 2.719 2.040 3.741 . 0 0 "[ . 1 . 2]" 1
941 1 68 THR H 1 68 THR MG . . 3.320 2.455 1.851 2.823 . 0 0 "[ . 1 . 2]" 1
942 1 68 THR H 1 69 HIS H . . 3.590 2.554 2.368 2.719 . 0 0 "[ . 1 . 2]" 1
943 1 68 THR HA 1 68 THR MG . . 3.200 2.421 2.102 3.190 . 0 0 "[ . 1 . 2]" 1
944 1 68 THR HA 1 70 VAL H . . 5.090 4.296 3.829 4.686 . 0 0 "[ . 1 . 2]" 1
945 1 69 HIS H 1 69 HIS QB . . 3.690 2.298 2.146 2.473 . 0 0 "[ . 1 . 2]" 1
946 1 69 HIS H 1 70 VAL H . . 4.000 2.264 1.961 2.595 . 0 0 "[ . 1 . 2]" 1
947 1 69 HIS QB 1 70 VAL MG1 . . 3.850 2.933 2.568 3.365 . 0 0 "[ . 1 . 2]" 1
948 1 69 HIS HB2 1 70 VAL MG1 . . 4.520 3.586 3.140 4.472 . 0 0 "[ . 1 . 2]" 1
949 1 69 HIS HB3 1 70 VAL MG1 . . 4.520 3.215 2.599 3.521 . 0 0 "[ . 1 . 2]" 1
950 1 70 VAL H 1 70 VAL MG1 . . 4.050 2.699 2.360 2.988 . 0 0 "[ . 1 . 2]" 1
951 1 70 VAL H 1 70 VAL MG2 . . 3.640 2.094 1.890 2.373 . 0 0 "[ . 1 . 2]" 1
952 1 70 VAL HA 1 70 VAL MG1 . . 3.260 2.324 2.218 2.461 . 0 0 "[ . 1 . 2]" 1
953 1 70 VAL HA 1 71 LYS H . . 3.160 2.330 2.149 2.470 . 0 0 "[ . 1 . 2]" 1
954 1 70 VAL HB 1 71 LYS H . . 3.270 2.629 2.258 3.269 . 0 0 "[ . 1 . 2]" 1
955 1 70 VAL HB 1 72 ILE MD . . 5.500 4.670 3.943 5.122 . 0 0 "[ . 1 . 2]" 1
956 1 70 VAL MG1 1 71 LYS H . . 4.150 3.809 3.647 4.002 . 0 0 "[ . 1 . 2]" 1
957 1 70 VAL MG2 1 71 LYS H . . 4.160 3.492 2.991 3.974 . 0 0 "[ . 1 . 2]" 1
958 1 71 LYS H 1 71 LYS HB2 . . 3.980 2.941 2.512 3.783 . 0 0 "[ . 1 . 2]" 1
959 1 71 LYS H 1 71 LYS QB . . 3.390 2.509 2.310 2.690 . 0 0 "[ . 1 . 2]" 1
960 1 71 LYS H 1 71 LYS HB3 . . 3.980 2.747 2.548 2.895 . 0 0 "[ . 1 . 2]" 1
961 1 71 LYS H 1 71 LYS QG . . 4.200 4.025 2.476 4.187 . 0 0 "[ . 1 . 2]" 1
962 1 71 LYS H 1 72 ILE H . . 4.980 4.363 4.226 4.505 . 0 0 "[ . 1 . 2]" 1
963 1 71 LYS HA 1 71 LYS QD . . 4.740 3.740 2.114 4.450 . 0 0 "[ . 1 . 2]" 1
964 1 71 LYS HA 1 71 LYS QG . . 3.860 2.470 2.213 3.292 . 0 0 "[ . 1 . 2]" 1
965 1 71 LYS QB 1 72 ILE H . . 4.010 3.692 3.069 3.772 . 0 0 "[ . 1 . 2]" 1
966 1 71 LYS HB2 1 72 ILE H . . 4.630 4.249 3.146 4.354 . 0 0 "[ . 1 . 2]" 1
967 1 71 LYS HB3 1 72 ILE H . . 4.630 4.091 3.933 4.277 . 0 0 "[ . 1 . 2]" 1
968 1 71 LYS QG 1 72 ILE H . . 4.360 2.783 2.546 3.532 . 0 0 "[ . 1 . 2]" 1
969 1 71 LYS QG 1 72 ILE MG . . 5.060 4.947 4.724 5.059 . 0 0 "[ . 1 . 2]" 1
970 1 72 ILE H 1 72 ILE HB . . 3.040 2.527 2.410 2.620 . 0 0 "[ . 1 . 2]" 1
971 1 72 ILE H 1 72 ILE MD . . 3.650 3.355 2.623 3.649 . 0 0 "[ . 1 . 2]" 1
972 1 72 ILE H 1 72 ILE HG12 . . 3.770 2.174 1.935 2.460 . 0 0 "[ . 1 . 2]" 1
973 1 72 ILE H 1 72 ILE QG . . 3.290 2.156 1.922 2.430 . 0 0 "[ . 1 . 2]" 1
974 1 72 ILE H 1 72 ILE HG13 . . 3.770 3.567 3.310 3.771 0.001 7 0 "[ . 1 . 2]" 1
975 1 72 ILE H 1 72 ILE MG . . 4.020 3.767 3.743 3.782 . 0 0 "[ . 1 . 2]" 1
976 1 72 ILE H 1 73 PHE H . . 5.370 4.451 4.157 4.599 . 0 0 "[ . 1 . 2]" 1
977 1 72 ILE HA 1 72 ILE MD . . 3.990 2.112 1.976 2.306 . 0 0 "[ . 1 . 2]" 1
978 1 72 ILE HA 1 72 ILE MG . . 3.410 2.334 2.258 2.435 . 0 0 "[ . 1 . 2]" 1
979 1 72 ILE HA 1 73 PHE H . . 3.010 2.161 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
980 1 72 ILE HB 1 73 PHE H . . 4.560 4.256 4.025 4.445 . 0 0 "[ . 1 . 2]" 1
981 1 72 ILE MD 1 73 PHE H . . 5.160 3.691 3.365 4.012 . 0 0 "[ . 1 . 2]" 1
982 1 72 ILE MG 1 73 PHE H . . 3.290 2.721 2.179 3.267 . 0 0 "[ . 1 . 2]" 1
983 1 72 ILE MG 1 73 PHE HA . . 4.180 3.623 3.328 4.060 . 0 0 "[ . 1 . 2]" 1
984 1 72 ILE MG 1 73 PHE QB . . 4.930 4.533 4.289 4.873 . 0 0 "[ . 1 . 2]" 1
985 1 73 PHE H 1 73 PHE HB2 . . 4.030 3.852 3.692 3.980 . 0 0 "[ . 1 . 2]" 1
986 1 73 PHE H 1 73 PHE HB3 . . 4.030 2.942 2.577 3.259 . 0 0 "[ . 1 . 2]" 1
987 1 73 PHE H 1 73 PHE QD . . 3.720 2.321 1.895 2.873 . 0 0 "[ . 1 . 2]" 1
988 1 73 PHE HA 1 73 PHE QD . . 4.110 3.681 3.603 3.719 . 0 0 "[ . 1 . 2]" 1
989 1 73 PHE HA 1 74 ASP H . . 3.090 2.421 2.181 2.649 . 0 0 "[ . 1 . 2]" 1
990 1 73 PHE QB 1 74 ASP H . . 3.510 2.534 2.040 3.121 . 0 0 "[ . 1 . 2]" 1
991 1 73 PHE HB2 1 74 ASP H . . 4.300 2.570 2.052 3.203 . 0 0 "[ . 1 . 2]" 1
992 1 73 PHE HB3 1 74 ASP H . . 4.300 3.925 3.583 4.308 0.008 5 0 "[ . 1 . 2]" 1
993 1 73 PHE QD 1 74 ASP H . . 4.400 2.992 2.198 3.712 . 0 0 "[ . 1 . 2]" 1
994 1 73 PHE QD 1 75 PRO HA . . 4.980 3.643 3.174 3.934 . 0 0 "[ . 1 . 2]" 1
995 1 73 PHE QD 1 75 PRO HD2 . . 5.500 5.126 4.469 5.507 0.007 20 0 "[ . 1 . 2]" 1
996 1 73 PHE QD 1 75 PRO HD3 . . 5.500 4.221 3.239 4.999 . 0 0 "[ . 1 . 2]" 1
997 1 73 PHE QE 1 75 PRO HA . . 3.570 2.393 2.005 2.801 . 0 0 "[ . 1 . 2]" 1
998 1 73 PHE QE 1 75 PRO QB . . 4.760 3.277 2.090 4.196 . 0 0 "[ . 1 . 2]" 1
999 1 73 PHE HZ 1 75 PRO HA . . 4.040 3.870 2.269 4.046 0.006 6 0 "[ . 1 . 2]" 1
1000 1 73 PHE HZ 1 75 PRO QB . . 4.590 3.455 2.104 4.598 0.008 5 0 "[ . 1 . 2]" 1
1001 1 74 ASP H 1 74 ASP HB2 . . 3.580 2.702 2.194 3.584 0.004 2 0 "[ . 1 . 2]" 1
1002 1 74 ASP H 1 74 ASP HB3 . . 3.580 3.275 2.321 3.591 0.011 10 0 "[ . 1 . 2]" 1
1003 1 74 ASP HA 1 75 PRO HD2 . . 3.700 2.039 1.915 2.239 . 0 0 "[ . 1 . 2]" 1
1004 1 74 ASP HA 1 75 PRO QD . . 3.000 1.924 1.852 2.002 . 0 0 "[ . 1 . 2]" 1
1005 1 74 ASP HA 1 75 PRO HD3 . . 3.700 2.451 2.251 2.796 . 0 0 "[ . 1 . 2]" 1
1006 1 74 ASP HA 1 75 PRO QG . . 4.720 3.829 3.768 3.905 . 0 0 "[ . 1 . 2]" 1
1007 1 74 ASP HA 1 76 GLN H . . 4.390 3.579 3.150 4.081 . 0 0 "[ . 1 . 2]" 1
1008 1 74 ASP QB 1 75 PRO QD . . 4.430 3.223 2.435 3.818 . 0 0 "[ . 1 . 2]" 1
1009 1 75 PRO QB 1 76 GLN H . . 3.960 3.455 2.999 3.727 . 0 0 "[ . 1 . 2]" 1
1010 1 75 PRO HB2 1 76 GLN H . . 4.640 3.641 3.097 3.973 . 0 0 "[ . 1 . 2]" 1
1011 1 75 PRO HB3 1 76 GLN H . . 4.640 4.319 4.004 4.510 . 0 0 "[ . 1 . 2]" 1
1012 1 75 PRO QD 1 76 GLN H . . 3.710 2.766 2.607 2.958 . 0 0 "[ . 1 . 2]" 1
1013 1 75 PRO HD2 1 76 GLN H . . 4.490 2.827 2.652 3.041 . 0 0 "[ . 1 . 2]" 1
1014 1 75 PRO HD3 1 76 GLN H . . 4.490 3.935 3.837 4.050 . 0 0 "[ . 1 . 2]" 1
1015 1 75 PRO QG 1 76 GLN H . . 4.390 2.798 2.089 3.288 . 0 0 "[ . 1 . 2]" 1
1016 1 75 PRO QG 1 76 GLN HA . . 5.250 4.278 3.786 4.743 . 0 0 "[ . 1 . 2]" 1
1017 1 76 GLN H 1 76 GLN QB . . 3.210 2.694 2.244 3.202 . 0 0 "[ . 1 . 2]" 1
1018 1 76 GLN H 1 76 GLN HG2 . . 4.300 3.267 1.984 4.141 . 0 0 "[ . 1 . 2]" 1
1019 1 76 GLN H 1 76 GLN QG . . 3.650 2.636 1.972 3.383 . 0 0 "[ . 1 . 2]" 1
1020 1 76 GLN H 1 76 GLN HG3 . . 4.300 3.111 2.292 3.928 . 0 0 "[ . 1 . 2]" 1
1021 1 76 GLN H 1 77 ASN H . . 3.370 3.068 2.697 3.366 . 0 0 "[ . 1 . 2]" 1
1022 1 76 GLN HA 1 76 GLN QG . . 3.480 2.620 2.153 3.338 . 0 0 "[ . 1 . 2]" 1
1023 1 76 GLN HA 1 78 PRO QD . . 5.350 4.964 3.531 5.374 0.024 19 0 "[ . 1 . 2]" 1
1024 1 76 GLN QB 1 77 ASN H . . 4.480 3.772 2.300 4.051 . 0 0 "[ . 1 . 2]" 1
1025 1 77 ASN H 1 77 ASN HB2 . . 4.010 2.804 2.180 3.769 . 0 0 "[ . 1 . 2]" 1
1026 1 77 ASN H 1 77 ASN HB3 . . 4.010 3.249 2.512 3.771 . 0 0 "[ . 1 . 2]" 1
1027 1 77 ASN H 1 78 PRO QD . . 4.880 4.054 3.477 4.330 . 0 0 "[ . 1 . 2]" 1
1028 1 77 ASN HA 1 78 PRO HD2 . . 3.820 2.045 1.918 2.162 . 0 0 "[ . 1 . 2]" 1
1029 1 77 ASN HA 1 78 PRO QD . . 3.010 1.920 1.867 1.964 . 0 0 "[ . 1 . 2]" 1
1030 1 77 ASN HA 1 78 PRO HD3 . . 3.820 2.393 2.252 2.734 . 0 0 "[ . 1 . 2]" 1
1031 1 77 ASN QB 1 77 ASN QD . . 3.010 2.215 2.066 2.484 . 0 0 "[ . 1 . 2]" 1
1032 1 77 ASN QB 1 78 PRO QD . . 4.170 3.100 2.496 3.605 . 0 0 "[ . 1 . 2]" 1
1033 1 77 ASN QB 1 78 PRO QG . . 4.980 4.503 3.968 5.008 0.028 12 0 "[ . 1 . 2]" 1
1034 1 77 ASN QB 1 79 ASP H . . 4.250 2.731 2.253 3.576 . 0 0 "[ . 1 . 2]" 1
1035 1 78 PRO HA 1 79 ASP H . . 3.410 3.371 3.293 3.440 0.030 17 0 "[ . 1 . 2]" 1
1036 1 78 PRO QB 1 79 ASP H . . 4.050 3.606 3.471 3.725 . 0 0 "[ . 1 . 2]" 1
1037 1 78 PRO QD 1 79 ASP H . . 4.030 2.808 2.685 2.956 . 0 0 "[ . 1 . 2]" 1
1038 1 78 PRO QG 1 79 ASP H . . 3.580 3.035 2.776 3.285 . 0 0 "[ . 1 . 2]" 1
1039 1 79 ASP H 1 79 ASP HB2 . . 3.890 2.888 2.192 3.860 . 0 0 "[ . 1 . 2]" 1
1040 1 79 ASP H 1 79 ASP HB3 . . 3.890 3.050 2.201 3.657 . 0 0 "[ . 1 . 2]" 1
1041 1 79 ASP HB2 1 80 GLU H . . 4.340 3.450 2.355 4.331 . 0 0 "[ . 1 . 2]" 1
1042 1 79 ASP HB3 1 80 GLU H . . 4.340 3.468 2.139 4.249 . 0 0 "[ . 1 . 2]" 1
1043 1 80 GLU H 1 80 GLU HB2 . . 4.040 2.901 2.255 4.011 . 0 0 "[ . 1 . 2]" 1
1044 1 80 GLU H 1 80 GLU QB . . 3.310 2.575 2.190 3.297 . 0 0 "[ . 1 . 2]" 1
1045 1 80 GLU H 1 80 GLU HB3 . . 4.040 3.162 2.505 3.975 . 0 0 "[ . 1 . 2]" 1
1046 1 80 GLU H 1 80 GLU QG . . 4.160 3.355 1.947 4.143 . 0 0 "[ . 1 . 2]" 1
1047 1 80 GLU H 1 81 ASN H . . 4.090 3.789 2.611 4.089 . 0 0 "[ . 1 . 2]" 1
1048 1 80 GLU HA 1 80 GLU QG . . 3.740 2.635 2.179 3.435 . 0 0 "[ . 1 . 2]" 1
1049 1 80 GLU QB 1 80 GLU QG . . 2.410 2.042 1.989 2.084 . 0 0 "[ . 1 . 2]" 1
1050 1 81 ASN H 1 81 ASN QB . . 3.640 2.605 2.188 3.266 . 0 0 "[ . 1 . 2]" 1
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