NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
494448 |
2kz3   |
16996 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kz3
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 746
_Distance_constraint_stats_list.Viol_count 424
_Distance_constraint_stats_list.Viol_total 296.653
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0101
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0350
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.005 0.004 5 0 "[ . 1 . 2]"
1 4 LEU 0.306 0.292 20 0 "[ . 1 . 2]"
1 5 ARG 0.015 0.006 19 0 "[ . 1 . 2]"
1 6 VAL 0.819 0.231 12 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.548 0.121 13 0 "[ . 1 . 2]"
1 9 CYS 0.537 0.121 13 0 "[ . 1 . 2]"
1 10 PRO 0.084 0.084 5 0 "[ . 1 . 2]"
1 12 LEU 0.041 0.011 5 0 "[ . 1 . 2]"
1 13 THR 0.019 0.005 15 0 "[ . 1 . 2]"
1 14 GLU 0.157 0.067 15 0 "[ . 1 . 2]"
1 15 GLU 0.191 0.025 4 0 "[ . 1 . 2]"
1 16 MET 0.037 0.006 5 0 "[ . 1 . 2]"
1 17 ILE 0.319 0.025 4 0 "[ . 1 . 2]"
1 18 GLN 0.090 0.033 12 0 "[ . 1 . 2]"
1 19 LEU 0.202 0.202 17 0 "[ . 1 . 2]"
1 20 LEU 0.305 0.206 15 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.036 0.010 5 0 "[ . 1 . 2]"
1 23 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.036 0.010 5 0 "[ . 1 . 2]"
1 25 ILE 6.765 0.151 14 0 "[ . 1 . 2]"
1 26 LYS 0.644 0.061 17 0 "[ . 1 . 2]"
1 27 THR 1.006 0.157 16 0 "[ . 1 . 2]"
1 28 VAL 0.385 0.131 16 0 "[ . 1 . 2]"
1 29 VAL 0.981 0.291 6 0 "[ . 1 . 2]"
1 30 ASP 3.817 0.130 16 0 "[ . 1 . 2]"
1 31 LEU 3.624 0.291 6 0 "[ . 1 . 2]"
1 32 VAL 0.659 0.147 5 0 "[ . 1 . 2]"
1 33 SER 0.251 0.056 5 0 "[ . 1 . 2]"
1 34 ALA 0.892 0.147 5 0 "[ . 1 . 2]"
1 35 ASP 0.062 0.012 6 0 "[ . 1 . 2]"
1 36 LEU 0.237 0.077 10 0 "[ . 1 . 2]"
1 37 GLU 0.080 0.012 4 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.117 0.077 10 0 "[ . 1 . 2]"
1 40 ALA 0.384 0.118 1 0 "[ . 1 . 2]"
1 41 GLN 0.062 0.032 1 0 "[ . 1 . 2]"
1 42 LYS 0.019 0.010 1 0 "[ . 1 . 2]"
1 43 CYS 0.032 0.032 1 0 "[ . 1 . 2]"
1 44 GLY 0.369 0.127 9 0 "[ . 1 . 2]"
1 45 LEU 1.252 0.145 6 0 "[ . 1 . 2]"
1 46 SER 0.003 0.002 9 0 "[ . 1 . 2]"
1 47 TYR 0.110 0.016 20 0 "[ . 1 . 2]"
1 48 LYS 0.009 0.006 20 0 "[ . 1 . 2]"
1 49 ALA 0.006 0.002 14 0 "[ . 1 . 2]"
1 50 LEU 0.004 0.003 18 0 "[ . 1 . 2]"
1 51 VAL 0.000 0.000 14 0 "[ . 1 . 2]"
1 52 ALA 0.006 0.002 3 0 "[ . 1 . 2]"
1 53 LEU 0.130 0.062 15 0 "[ . 1 . 2]"
1 54 ARG 0.185 0.072 14 0 "[ . 1 . 2]"
1 55 ARG 0.033 0.022 14 0 "[ . 1 . 2]"
1 56 VAL 0.182 0.095 14 0 "[ . 1 . 2]"
1 57 LEU 0.319 0.095 14 0 "[ . 1 . 2]"
1 58 LEU 0.005 0.005 4 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.006 0.006 11 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 PHE 0.007 0.006 6 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 19 0 "[ . 1 . 2]"
1 70 ASP 0.033 0.032 17 0 "[ . 1 . 2]"
1 71 LEU 0.258 0.112 20 0 "[ . 1 . 2]"
1 72 TYR 0.123 0.112 20 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.005 0.003 2 0 "[ . 1 . 2]"
1 75 LEU 0.005 0.003 2 0 "[ . 1 . 2]"
1 76 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.196 0.196 11 0 "[ . 1 . 2]"
1 81 ILE 0.196 0.196 11 0 "[ . 1 . 2]"
1 82 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 SER 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 2 GLY QA 1 3 VAL HB . . 4.650 4.338 4.046 4.592 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL H 1 3 VAL HB . . 3.580 2.829 2.445 3.550 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL H 1 3 VAL QG . . 3.150 2.227 1.972 2.953 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL HA 1 4 LEU H . . 3.110 2.220 2.156 2.282 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL HA 1 27 THR HA . . 3.480 3.192 2.434 3.484 0.004 5 0 "[ . 1 . 2]" 1
6 1 3 VAL HA 1 27 THR MG . . 3.800 2.346 1.935 3.373 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL HA 1 28 VAL H . . 5.360 3.580 2.350 5.061 . 0 0 "[ . 1 . 2]" 1
8 1 3 VAL HB 1 4 LEU H . . 4.180 4.026 3.839 4.178 . 0 0 "[ . 1 . 2]" 1
9 1 3 VAL QG 1 4 LEU H . . 3.370 2.217 2.048 2.537 . 0 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 27 THR HA . . 4.360 3.385 2.325 3.983 . 0 0 "[ . 1 . 2]" 1
11 1 4 LEU H 1 4 LEU QB . . 3.510 2.462 2.160 3.090 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU H 1 4 LEU MD1 . . 4.090 2.851 1.932 3.713 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU H 1 4 LEU MD2 . . 4.090 3.689 1.970 4.074 . 0 0 "[ . 1 . 2]" 1
14 1 4 LEU H 1 4 LEU HG . . 3.400 2.691 2.046 3.692 0.292 20 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 27 THR HA . . 3.690 2.996 2.224 3.587 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 27 THR MG . . 4.110 3.439 2.747 4.114 0.004 15 0 "[ . 1 . 2]" 1
17 1 4 LEU H 1 28 VAL H . . 4.540 3.752 2.883 4.514 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU HA 1 4 LEU QD . . 3.370 2.570 1.942 3.373 0.003 1 0 "[ . 1 . 2]" 1
19 1 4 LEU HA 1 5 ARG H . . 3.030 2.204 2.140 2.423 . 0 0 "[ . 1 . 2]" 1
20 1 4 LEU HA 1 8 LEU QD . . 3.960 2.737 1.942 3.780 . 0 0 "[ . 1 . 2]" 1
21 1 4 LEU QB 1 5 ARG H . . 4.110 3.189 2.409 3.858 . 0 0 "[ . 1 . 2]" 1
22 1 4 LEU QB 1 17 ILE MD . . 4.770 3.593 2.441 4.570 . 0 0 "[ . 1 . 2]" 1
23 1 4 LEU QB 1 20 LEU QD . . 4.610 2.993 2.372 4.290 . 0 0 "[ . 1 . 2]" 1
24 1 4 LEU QB 1 27 THR HA . . 4.920 4.150 2.562 4.923 0.003 17 0 "[ . 1 . 2]" 1
25 1 4 LEU QB 1 28 VAL QG . . 5.200 4.091 1.885 5.201 0.001 15 0 "[ . 1 . 2]" 1
26 1 4 LEU HB2 1 5 ARG H . . 4.960 4.092 2.823 4.475 . 0 0 "[ . 1 . 2]" 1
27 1 4 LEU HB3 1 5 ARG H . . 4.960 3.406 2.454 4.251 . 0 0 "[ . 1 . 2]" 1
28 1 4 LEU QD 1 5 ARG H . . 4.460 3.780 2.995 4.446 . 0 0 "[ . 1 . 2]" 1
29 1 4 LEU QD 1 20 LEU HB3 . . 4.650 3.677 2.493 4.617 . 0 0 "[ . 1 . 2]" 1
30 1 4 LEU QD 1 28 VAL H . . 4.040 2.900 1.973 3.962 . 0 0 "[ . 1 . 2]" 1
31 1 4 LEU QD 1 28 VAL HA . . 3.520 2.648 1.953 3.501 . 0 0 "[ . 1 . 2]" 1
32 1 4 LEU QD 1 28 VAL HB . . 5.070 3.717 1.959 4.929 . 0 0 "[ . 1 . 2]" 1
33 1 4 LEU QD 1 31 LEU H . . 4.580 4.026 3.192 4.579 . 0 0 "[ . 1 . 2]" 1
34 1 4 LEU QD 1 31 LEU HB2 . . 4.060 3.081 1.966 3.746 . 0 0 "[ . 1 . 2]" 1
35 1 4 LEU MD1 1 28 VAL HA . . 4.010 3.195 2.220 4.013 0.003 17 0 "[ . 1 . 2]" 1
36 1 4 LEU MD2 1 28 VAL HA . . 4.010 3.098 1.958 3.861 . 0 0 "[ . 1 . 2]" 1
37 1 4 LEU HG 1 28 VAL H . . 4.160 3.174 2.186 4.073 . 0 0 "[ . 1 . 2]" 1
38 1 4 LEU HG 1 28 VAL HA . . 4.940 3.646 2.816 4.531 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG H 1 5 ARG QB . . 3.520 3.154 2.594 3.364 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG H 1 5 ARG QD . . 4.730 4.049 1.961 4.729 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG H 1 5 ARG HG2 . . 4.340 3.001 2.055 3.742 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG H 1 5 ARG QG . . 3.610 2.495 2.011 2.797 . 0 0 "[ . 1 . 2]" 1
43 1 5 ARG H 1 5 ARG HG3 . . 4.340 2.940 2.022 3.966 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG H 1 8 LEU H . . 5.000 4.674 4.224 4.999 . 0 0 "[ . 1 . 2]" 1
45 1 5 ARG H 1 8 LEU QD . . 3.480 2.298 1.876 3.258 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG H 1 17 ILE MD . . 4.710 3.828 3.035 4.541 . 0 0 "[ . 1 . 2]" 1
47 1 5 ARG HA 1 6 VAL H . . 3.220 2.444 2.228 2.713 . 0 0 "[ . 1 . 2]" 1
48 1 5 ARG HA 1 17 ILE MD . . 3.470 2.784 1.981 3.426 . 0 0 "[ . 1 . 2]" 1
49 1 5 ARG QB 1 5 ARG QD . . 3.450 2.183 1.951 2.546 . 0 0 "[ . 1 . 2]" 1
50 1 5 ARG QB 1 6 VAL H . . 3.590 2.369 1.940 2.849 . 0 0 "[ . 1 . 2]" 1
51 1 5 ARG QB 1 17 ILE MG . . 4.410 3.689 2.746 4.416 0.006 19 0 "[ . 1 . 2]" 1
52 1 5 ARG HB2 1 6 VAL H . . 4.240 2.401 1.950 2.915 . 0 0 "[ . 1 . 2]" 1
53 1 5 ARG HB3 1 6 VAL H . . 4.240 3.730 3.464 4.005 . 0 0 "[ . 1 . 2]" 1
54 1 5 ARG QD 1 8 LEU H . . 4.860 4.544 2.481 4.865 0.005 15 0 "[ . 1 . 2]" 1
55 1 5 ARG QG 1 8 LEU H . . 4.410 3.749 2.858 4.412 0.002 15 0 "[ . 1 . 2]" 1
56 1 6 VAL H 1 6 VAL HB . . 3.380 2.841 2.460 3.611 0.231 12 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 6 VAL MG1 . . 3.910 2.113 1.928 3.752 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL H 1 6 VAL QG . . 3.220 2.003 1.827 2.188 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL H 1 6 VAL MG2 . . 3.910 3.462 2.203 3.784 . 0 0 "[ . 1 . 2]" 1
60 1 6 VAL H 1 17 ILE MD . . 3.910 2.995 2.191 3.907 . 0 0 "[ . 1 . 2]" 1
61 1 6 VAL H 1 17 ILE MG . . 4.320 3.458 2.434 3.978 . 0 0 "[ . 1 . 2]" 1
62 1 6 VAL HA 1 6 VAL MG1 . . 3.500 3.022 2.330 3.188 . 0 0 "[ . 1 . 2]" 1
63 1 6 VAL HA 1 6 VAL QG . . 2.990 2.278 2.085 2.351 . 0 0 "[ . 1 . 2]" 1
64 1 6 VAL HA 1 6 VAL MG2 . . 3.500 2.468 2.282 3.197 . 0 0 "[ . 1 . 2]" 1
65 1 6 VAL HA 1 7 GLY H . . 3.470 2.165 2.146 2.199 . 0 0 "[ . 1 . 2]" 1
66 1 6 VAL HA 1 8 LEU H . . 3.790 3.451 3.268 3.686 . 0 0 "[ . 1 . 2]" 1
67 1 6 VAL HA 1 9 CYS H . . 5.340 4.840 4.367 5.342 0.002 10 0 "[ . 1 . 2]" 1
68 1 6 VAL HA 1 14 GLU H . . 5.500 5.181 4.453 5.546 0.046 15 0 "[ . 1 . 2]" 1
69 1 6 VAL HA 1 17 ILE MD . . 4.200 2.793 2.027 3.484 . 0 0 "[ . 1 . 2]" 1
70 1 6 VAL HA 1 17 ILE MG . . 5.500 4.925 4.318 5.501 0.001 15 0 "[ . 1 . 2]" 1
71 1 6 VAL HB 1 14 GLU HA . . 3.940 2.564 1.999 4.007 0.067 15 0 "[ . 1 . 2]" 1
72 1 6 VAL HB 1 17 ILE QG . . 4.360 3.066 1.928 4.309 . 0 0 "[ . 1 . 2]" 1
73 1 6 VAL QG 1 7 GLY H . . 4.070 2.664 2.167 3.438 . 0 0 "[ . 1 . 2]" 1
74 1 6 VAL QG 1 14 GLU H . . 3.800 2.649 2.089 3.742 . 0 0 "[ . 1 . 2]" 1
75 1 6 VAL QG 1 14 GLU HA . . 3.360 2.495 1.886 3.164 . 0 0 "[ . 1 . 2]" 1
76 1 6 VAL QG 1 14 GLU QG . . 4.260 3.033 1.747 3.986 . 0 0 "[ . 1 . 2]" 1
77 1 6 VAL QG 1 15 GLU H . . 5.110 4.493 4.077 5.020 . 0 0 "[ . 1 . 2]" 1
78 1 6 VAL QG 1 17 ILE HB . . 4.530 4.033 3.168 4.532 0.002 5 0 "[ . 1 . 2]" 1
79 1 6 VAL QG 1 17 ILE MD . . 4.020 3.216 2.675 3.969 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLY H 1 9 CYS H . . 4.450 3.252 2.838 3.825 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLY QA 1 9 CYS H . . 4.590 3.698 3.285 4.091 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU H 1 8 LEU QB . . 3.160 2.428 2.080 2.663 . 0 0 "[ . 1 . 2]" 1
83 1 8 LEU H 1 8 LEU MD1 . . 4.270 3.820 3.565 4.118 . 0 0 "[ . 1 . 2]" 1
84 1 8 LEU H 1 8 LEU QD . . 3.430 2.790 1.891 3.404 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU H 1 8 LEU MD2 . . 4.270 2.940 1.894 4.208 . 0 0 "[ . 1 . 2]" 1
86 1 8 LEU H 1 8 LEU HG . . 3.220 2.496 1.947 3.232 0.012 4 0 "[ . 1 . 2]" 1
87 1 8 LEU H 1 9 CYS H . . 3.570 2.654 2.400 2.789 . 0 0 "[ . 1 . 2]" 1
88 1 8 LEU H 1 12 LEU HB2 . . 5.190 4.832 3.988 5.190 0.000 17 0 "[ . 1 . 2]" 1
89 1 8 LEU H 1 17 ILE MD . . 5.500 4.957 4.343 5.515 0.015 15 0 "[ . 1 . 2]" 1
90 1 8 LEU HA 1 8 LEU MD1 . . 4.110 3.726 3.453 4.058 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU HA 1 8 LEU QD . . 3.400 2.903 2.062 3.428 0.028 15 0 "[ . 1 . 2]" 1
92 1 8 LEU HA 1 8 LEU MD2 . . 4.110 3.291 2.070 4.092 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU QB 1 9 CYS H . . 3.580 3.149 2.540 3.584 0.004 9 0 "[ . 1 . 2]" 1
94 1 8 LEU MD1 1 9 CYS H . . 4.430 3.758 2.602 4.551 0.121 13 0 "[ . 1 . 2]" 1
95 1 8 LEU MD2 1 9 CYS H . . 4.430 3.988 2.878 4.512 0.082 4 0 "[ . 1 . 2]" 1
96 1 9 CYS H 1 10 PRO HD2 . . 5.000 4.793 4.765 4.806 . 0 0 "[ . 1 . 2]" 1
97 1 9 CYS H 1 10 PRO HD3 . . 5.000 4.883 4.718 5.084 0.084 5 0 "[ . 1 . 2]" 1
98 1 9 CYS H 1 12 LEU HB2 . . 4.260 3.587 2.937 4.051 . 0 0 "[ . 1 . 2]" 1
99 1 9 CYS H 1 12 LEU HB3 . . 5.500 4.685 3.419 5.427 . 0 0 "[ . 1 . 2]" 1
100 1 9 CYS HA 1 10 PRO HD2 . . 3.840 2.489 2.400 2.512 . 0 0 "[ . 1 . 2]" 1
101 1 9 CYS HA 1 10 PRO QD . . 3.340 2.142 2.089 2.156 . 0 0 "[ . 1 . 2]" 1
102 1 9 CYS HA 1 10 PRO HD3 . . 3.840 2.337 2.297 2.348 . 0 0 "[ . 1 . 2]" 1
103 1 9 CYS QB 1 10 PRO QD . . 3.380 2.062 1.937 2.193 . 0 0 "[ . 1 . 2]" 1
104 1 9 CYS HB2 1 10 PRO HD2 . . 4.850 3.214 1.965 3.654 . 0 0 "[ . 1 . 2]" 1
105 1 9 CYS HB2 1 10 PRO HD3 . . 4.850 4.376 3.396 4.707 . 0 0 "[ . 1 . 2]" 1
106 1 9 CYS HB3 1 10 PRO HD2 . . 4.850 2.407 2.014 3.450 . 0 0 "[ . 1 . 2]" 1
107 1 9 CYS HB3 1 10 PRO HD3 . . 4.850 3.720 3.458 4.411 . 0 0 "[ . 1 . 2]" 1
108 1 12 LEU H 1 12 LEU HB2 . . 3.870 2.195 2.068 2.765 . 0 0 "[ . 1 . 2]" 1
109 1 12 LEU H 1 12 LEU HB3 . . 3.670 3.420 2.801 3.542 . 0 0 "[ . 1 . 2]" 1
110 1 12 LEU H 1 12 LEU QD . . 4.390 2.863 2.172 3.776 . 0 0 "[ . 1 . 2]" 1
111 1 12 LEU HA 1 12 LEU QD . . 3.930 2.057 1.880 2.277 . 0 0 "[ . 1 . 2]" 1
112 1 12 LEU HA 1 13 THR H . . 3.350 2.187 2.167 2.262 . 0 0 "[ . 1 . 2]" 1
113 1 12 LEU HB2 1 13 THR H . . 4.340 4.286 4.125 4.345 0.005 15 0 "[ . 1 . 2]" 1
114 1 12 LEU HB2 1 17 ILE MD . . 4.570 4.516 4.355 4.573 0.003 10 0 "[ . 1 . 2]" 1
115 1 12 LEU HB3 1 13 THR H . . 3.900 3.229 2.880 3.904 0.004 5 0 "[ . 1 . 2]" 1
116 1 12 LEU HB3 1 17 ILE QG . . 4.530 4.373 3.987 4.541 0.011 5 0 "[ . 1 . 2]" 1
117 1 12 LEU QD 1 13 THR H . . 3.590 2.680 1.972 3.072 . 0 0 "[ . 1 . 2]" 1
118 1 12 LEU QD 1 16 MET H . . 4.510 4.409 3.820 4.516 0.006 5 0 "[ . 1 . 2]" 1
119 1 12 LEU QD 1 16 MET QB . . 3.940 2.397 2.015 2.589 . 0 0 "[ . 1 . 2]" 1
120 1 12 LEU QD 1 16 MET ME . . 3.220 2.503 1.917 3.211 . 0 0 "[ . 1 . 2]" 1
121 1 12 LEU QD 1 16 MET QG . . 3.690 3.077 2.189 3.691 0.001 14 0 "[ . 1 . 2]" 1
122 1 13 THR H 1 13 THR HB . . 3.810 3.380 2.951 3.803 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR H 1 13 THR MG . . 3.260 2.423 1.924 3.218 . 0 0 "[ . 1 . 2]" 1
124 1 13 THR H 1 16 MET HB2 . . 4.260 2.723 2.068 3.474 . 0 0 "[ . 1 . 2]" 1
125 1 13 THR H 1 16 MET QB . . 3.430 2.674 2.049 3.306 . 0 0 "[ . 1 . 2]" 1
126 1 13 THR H 1 16 MET HB3 . . 4.260 4.010 3.344 4.263 0.003 3 0 "[ . 1 . 2]" 1
127 1 13 THR H 1 17 ILE MD . . 4.510 4.235 3.859 4.463 . 0 0 "[ . 1 . 2]" 1
128 1 13 THR HA 1 13 THR MG . . 3.330 2.787 2.148 3.204 . 0 0 "[ . 1 . 2]" 1
129 1 13 THR HA 1 14 GLU H . . 3.500 2.367 2.241 2.466 . 0 0 "[ . 1 . 2]" 1
130 1 13 THR HA 1 15 GLU H . . 4.530 4.100 3.944 4.228 . 0 0 "[ . 1 . 2]" 1
131 1 13 THR MG 1 14 GLU H . . 4.250 3.609 3.266 3.934 . 0 0 "[ . 1 . 2]" 1
132 1 14 GLU H 1 14 GLU HB2 . . 3.950 3.026 2.334 3.591 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLU H 1 14 GLU QB . . 3.340 2.374 2.233 2.626 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLU H 1 14 GLU HB3 . . 3.950 2.647 2.373 3.579 . 0 0 "[ . 1 . 2]" 1
135 1 14 GLU H 1 14 GLU QG . . 4.590 2.935 2.018 4.016 . 0 0 "[ . 1 . 2]" 1
136 1 14 GLU HA 1 17 ILE HB . . 4.080 3.093 2.683 3.505 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLU HA 1 17 ILE MD . . 4.110 3.268 1.881 3.986 . 0 0 "[ . 1 . 2]" 1
138 1 14 GLU HA 1 17 ILE HG12 . . 4.520 2.764 2.073 4.521 0.001 14 0 "[ . 1 . 2]" 1
139 1 14 GLU HA 1 17 ILE QG . . 3.950 2.531 1.972 3.972 0.022 3 0 "[ . 1 . 2]" 1
140 1 14 GLU HA 1 17 ILE HG13 . . 4.520 3.038 2.468 4.490 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLU QG 1 15 GLU H . . 4.730 3.164 2.099 4.391 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLU H 1 15 GLU HB2 . . 3.520 2.208 2.079 2.368 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLU H 1 15 GLU QB . . 3.030 2.168 2.058 2.221 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLU H 1 15 GLU HB3 . . 3.520 3.315 2.686 3.520 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLU H 1 15 GLU QG . . 5.110 3.220 2.707 4.067 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLU H 1 16 MET H . . 3.960 2.700 2.553 2.814 . 0 0 "[ . 1 . 2]" 1
147 1 15 GLU H 1 17 ILE H . . 4.640 4.063 3.977 4.416 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLU H 1 17 ILE MD . . 5.500 5.209 4.123 5.525 0.025 4 0 "[ . 1 . 2]" 1
149 1 15 GLU HA 1 15 GLU QG . . 3.660 2.373 2.168 2.732 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLU HA 1 18 GLN QB . . 4.010 3.066 2.547 3.382 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLU QB 1 16 MET H . . 3.150 2.608 2.363 2.756 . 0 0 "[ . 1 . 2]" 1
152 1 15 GLU QB 1 16 MET QG . . 5.030 4.142 3.434 4.641 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLU HB2 1 16 MET H . . 3.690 3.013 2.653 3.677 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLU HB3 1 16 MET H . . 3.690 3.056 2.392 3.446 . 0 0 "[ . 1 . 2]" 1
155 1 16 MET H 1 16 MET HB2 . . 3.640 2.141 2.066 2.403 . 0 0 "[ . 1 . 2]" 1
156 1 16 MET H 1 16 MET HB3 . . 3.640 3.354 3.067 3.577 . 0 0 "[ . 1 . 2]" 1
157 1 16 MET H 1 16 MET HG2 . . 4.550 3.876 3.011 4.391 . 0 0 "[ . 1 . 2]" 1
158 1 16 MET H 1 16 MET QG . . 3.700 3.241 2.347 3.698 . 0 0 "[ . 1 . 2]" 1
159 1 16 MET H 1 16 MET HG3 . . 4.550 3.626 2.389 4.296 . 0 0 "[ . 1 . 2]" 1
160 1 16 MET H 1 17 ILE H . . 3.790 2.633 2.566 2.725 . 0 0 "[ . 1 . 2]" 1
161 1 16 MET H 1 17 ILE MD . . 4.430 4.248 3.477 4.435 0.005 18 0 "[ . 1 . 2]" 1
162 1 16 MET H 1 18 GLN QB . . 5.440 5.115 4.774 5.427 . 0 0 "[ . 1 . 2]" 1
163 1 16 MET H 1 19 LEU H . . 5.330 5.029 4.738 5.226 . 0 0 "[ . 1 . 2]" 1
164 1 16 MET HA 1 19 LEU H . . 3.950 3.487 3.332 3.731 . 0 0 "[ . 1 . 2]" 1
165 1 16 MET HA 1 19 LEU QB . . 3.930 2.951 2.454 3.845 . 0 0 "[ . 1 . 2]" 1
166 1 16 MET HA 1 19 LEU QD . . 4.860 2.484 1.907 3.305 . 0 0 "[ . 1 . 2]" 1
167 1 16 MET HA 1 20 LEU QD . . 4.590 4.152 3.490 4.568 . 0 0 "[ . 1 . 2]" 1
168 1 16 MET QB 1 17 ILE H . . 3.780 2.798 2.497 2.891 . 0 0 "[ . 1 . 2]" 1
169 1 16 MET QB 1 17 ILE MD . . 3.930 3.103 2.668 3.799 . 0 0 "[ . 1 . 2]" 1
170 1 16 MET QB 1 19 LEU H . . 5.340 4.920 4.751 5.215 . 0 0 "[ . 1 . 2]" 1
171 1 16 MET QB 1 20 LEU QD . . 4.880 2.977 2.309 3.680 . 0 0 "[ . 1 . 2]" 1
172 1 16 MET ME 1 45 LEU MD1 . . 3.500 2.628 1.788 3.494 . 0 0 "[ . 1 . 2]" 1
173 1 16 MET ME 1 45 LEU QD . . 2.720 2.143 1.703 2.656 . 0 0 "[ . 1 . 2]" 1
174 1 16 MET ME 1 45 LEU MD2 . . 3.500 2.695 1.907 3.451 . 0 0 "[ . 1 . 2]" 1
175 1 16 MET QG 1 20 LEU QD . . 4.410 4.029 2.656 4.412 0.002 12 0 "[ . 1 . 2]" 1
176 1 16 MET QG 1 45 LEU QD . . 4.090 3.570 2.516 4.089 . 0 0 "[ . 1 . 2]" 1
177 1 17 ILE H 1 17 ILE HB . . 3.050 2.643 2.517 2.702 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE H 1 17 ILE MD . . 3.690 2.684 1.925 2.891 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE H 1 17 ILE QG . . 3.330 2.062 1.926 2.632 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE H 1 17 ILE MG . . 4.130 3.761 3.757 3.767 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE HA 1 17 ILE MD . . 3.930 2.465 1.970 3.842 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE HA 1 20 LEU H . . 4.520 3.450 3.274 3.642 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE HA 1 20 LEU HB2 . . 4.490 2.956 2.312 3.638 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE HA 1 20 LEU HB3 . . 4.890 4.431 3.742 4.871 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE HA 1 20 LEU QD . . 3.950 2.292 1.929 3.210 . 0 0 "[ . 1 . 2]" 1
186 1 17 ILE HB 1 18 GLN H . . 3.280 2.613 2.417 2.724 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE HB 1 20 LEU QD . . 5.440 4.695 4.303 5.457 0.017 15 0 "[ . 1 . 2]" 1
188 1 17 ILE MD 1 17 ILE MG . . 3.340 2.271 1.953 3.008 . 0 0 "[ . 1 . 2]" 1
189 1 17 ILE MG 1 18 GLN H . . 4.400 3.618 3.315 3.796 . 0 0 "[ . 1 . 2]" 1
190 1 17 ILE MG 1 19 LEU H . . 5.460 5.066 4.881 5.387 . 0 0 "[ . 1 . 2]" 1
191 1 18 GLN H 1 18 GLN QB . . 2.970 2.215 2.107 2.385 . 0 0 "[ . 1 . 2]" 1
192 1 18 GLN H 1 18 GLN HG2 . . 4.810 4.205 2.352 4.586 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLN H 1 18 GLN QG . . 3.930 3.623 2.312 3.963 0.033 12 0 "[ . 1 . 2]" 1
194 1 18 GLN H 1 18 GLN HG3 . . 4.810 4.082 2.365 4.469 . 0 0 "[ . 1 . 2]" 1
195 1 18 GLN H 1 19 LEU H . . 3.640 2.681 2.612 2.768 . 0 0 "[ . 1 . 2]" 1
196 1 18 GLN HA 1 21 ARG QB . . 4.550 3.155 2.481 3.900 . 0 0 "[ . 1 . 2]" 1
197 1 18 GLN QB 1 19 LEU H . . 3.470 2.623 2.457 2.717 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLN QB 1 19 LEU QD . . 4.830 3.956 2.515 4.661 . 0 0 "[ . 1 . 2]" 1
199 1 18 GLN QG 1 19 LEU H . . 4.980 3.912 3.241 4.462 . 0 0 "[ . 1 . 2]" 1
200 1 19 LEU H 1 19 LEU HB2 . . 3.670 2.472 2.176 3.566 . 0 0 "[ . 1 . 2]" 1
201 1 19 LEU H 1 19 LEU QB . . 3.070 2.257 2.155 2.458 . 0 0 "[ . 1 . 2]" 1
202 1 19 LEU H 1 19 LEU HB3 . . 3.670 3.349 2.199 3.584 . 0 0 "[ . 1 . 2]" 1
203 1 19 LEU H 1 19 LEU QD . . 3.630 3.139 2.054 3.404 . 0 0 "[ . 1 . 2]" 1
204 1 19 LEU H 1 19 LEU HG . . 3.330 2.761 2.219 3.532 0.202 17 0 "[ . 1 . 2]" 1
205 1 19 LEU H 1 20 LEU H . . 3.490 2.617 2.541 2.722 . 0 0 "[ . 1 . 2]" 1
206 1 19 LEU HA 1 19 LEU QD . . 3.280 2.384 1.891 3.274 . 0 0 "[ . 1 . 2]" 1
207 1 19 LEU HA 1 19 LEU HG . . 4.230 2.941 2.261 3.691 . 0 0 "[ . 1 . 2]" 1
208 1 19 LEU HA 1 22 SER H . . 4.320 3.443 3.295 3.648 . 0 0 "[ . 1 . 2]" 1
209 1 19 LEU HA 1 22 SER HB2 . . 4.290 3.026 2.495 4.165 . 0 0 "[ . 1 . 2]" 1
210 1 19 LEU HA 1 22 SER HB3 . . 4.290 3.241 2.579 4.223 . 0 0 "[ . 1 . 2]" 1
211 1 19 LEU QB 1 20 LEU H . . 3.480 2.786 2.514 3.459 . 0 0 "[ . 1 . 2]" 1
212 1 19 LEU QB 1 20 LEU HA . . 5.340 3.970 3.829 4.624 . 0 0 "[ . 1 . 2]" 1
213 1 19 LEU HG 1 20 LEU H . . 5.030 4.285 2.031 4.948 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU H 1 20 LEU HB2 . . 3.600 2.467 2.200 2.733 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU H 1 20 LEU HB3 . . 3.590 3.568 3.506 3.594 0.004 1 0 "[ . 1 . 2]" 1
216 1 20 LEU H 1 20 LEU MD1 . . 4.340 3.421 3.179 4.129 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU H 1 20 LEU QD . . 3.680 2.955 2.032 3.302 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU H 1 20 LEU MD2 . . 4.340 3.462 2.037 4.026 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU H 1 20 LEU HG . . 3.300 2.400 1.950 3.506 0.206 15 0 "[ . 1 . 2]" 1
220 1 20 LEU HA 1 20 LEU QD . . 3.340 2.318 1.896 2.554 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU HA 1 20 LEU HG . . 4.170 2.973 2.631 3.688 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU HA 1 25 ILE HB . . 4.650 3.460 2.874 4.248 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU HA 1 25 ILE MD . . 4.300 3.116 1.946 4.101 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU HB2 1 21 ARG H . . 4.420 2.580 2.516 2.710 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU HB2 1 22 SER H . . 4.940 4.809 4.757 4.890 . 0 0 "[ . 1 . 2]" 1
226 1 20 LEU HB3 1 25 ILE HB . . 4.280 2.484 1.999 3.384 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU HB3 1 25 ILE MD . . 4.370 3.652 2.089 4.403 0.033 4 0 "[ . 1 . 2]" 1
228 1 20 LEU HB3 1 25 ILE MG . . 4.490 3.159 2.466 3.984 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU QD 1 25 ILE HB . . 4.070 3.180 2.110 3.916 . 0 0 "[ . 1 . 2]" 1
230 1 21 ARG H 1 21 ARG QB . . 3.340 2.293 2.126 2.593 . 0 0 "[ . 1 . 2]" 1
231 1 21 ARG H 1 21 ARG QG . . 4.310 3.194 1.942 4.051 . 0 0 "[ . 1 . 2]" 1
232 1 21 ARG H 1 22 SER H . . 3.650 2.559 2.500 2.644 . 0 0 "[ . 1 . 2]" 1
233 1 21 ARG HA 1 21 ARG QD . . 4.900 3.550 2.076 4.525 . 0 0 "[ . 1 . 2]" 1
234 1 21 ARG HA 1 24 ARG H . . 4.310 3.512 3.172 3.873 . 0 0 "[ . 1 . 2]" 1
235 1 21 ARG HA 1 25 ILE H . . 4.020 3.350 3.095 3.628 . 0 0 "[ . 1 . 2]" 1
236 1 21 ARG HB2 1 22 SER H . . 4.200 3.635 2.906 4.075 . 0 0 "[ . 1 . 2]" 1
237 1 21 ARG HB3 1 22 SER H . . 4.200 3.373 2.906 4.090 . 0 0 "[ . 1 . 2]" 1
238 1 22 SER H 1 22 SER HB2 . . 3.630 2.521 2.142 3.579 . 0 0 "[ . 1 . 2]" 1
239 1 22 SER H 1 22 SER QB . . 3.160 2.247 2.121 2.664 . 0 0 "[ . 1 . 2]" 1
240 1 22 SER H 1 22 SER HB3 . . 3.630 2.791 2.140 3.571 . 0 0 "[ . 1 . 2]" 1
241 1 22 SER H 1 23 HIS H . . 3.740 2.638 2.403 2.884 . 0 0 "[ . 1 . 2]" 1
242 1 22 SER H 1 24 ARG H . . 4.100 4.003 3.850 4.110 0.010 5 0 "[ . 1 . 2]" 1
243 1 22 SER H 1 25 ILE H . . 5.140 4.948 4.755 5.131 . 0 0 "[ . 1 . 2]" 1
244 1 22 SER HA 1 24 ARG H . . 4.330 3.669 3.476 3.823 . 0 0 "[ . 1 . 2]" 1
245 1 22 SER QB 1 23 HIS H . . 4.180 2.814 2.376 3.523 . 0 0 "[ . 1 . 2]" 1
246 1 23 HIS H 1 23 HIS HB2 . . 3.830 2.384 2.207 2.564 . 0 0 "[ . 1 . 2]" 1
247 1 23 HIS H 1 23 HIS QB . . 3.270 2.305 2.170 2.460 . 0 0 "[ . 1 . 2]" 1
248 1 23 HIS H 1 23 HIS HB3 . . 3.830 3.242 2.717 3.691 . 0 0 "[ . 1 . 2]" 1
249 1 23 HIS H 1 24 ARG H . . 3.460 2.567 2.321 2.690 . 0 0 "[ . 1 . 2]" 1
250 1 23 HIS H 1 24 ARG HA . . 4.740 4.645 4.419 4.723 . 0 0 "[ . 1 . 2]" 1
251 1 23 HIS QB 1 24 ARG H . . 4.440 3.613 3.527 3.695 . 0 0 "[ . 1 . 2]" 1
252 1 23 HIS QB 1 25 ILE MD . . 3.980 2.489 2.308 2.826 . 0 0 "[ . 1 . 2]" 1
253 1 23 HIS HB2 1 25 ILE MD . . 4.790 3.116 2.572 3.734 . 0 0 "[ . 1 . 2]" 1
254 1 23 HIS HB3 1 25 ILE MD . . 4.790 2.817 2.339 4.062 . 0 0 "[ . 1 . 2]" 1
255 1 24 ARG H 1 24 ARG HB2 . . 4.150 3.539 3.374 3.652 . 0 0 "[ . 1 . 2]" 1
256 1 24 ARG H 1 24 ARG HB3 . . 4.150 4.025 3.977 4.070 . 0 0 "[ . 1 . 2]" 1
257 1 24 ARG H 1 24 ARG HD2 . . 5.500 4.796 3.152 5.434 . 0 0 "[ . 1 . 2]" 1
258 1 24 ARG H 1 24 ARG HD3 . . 5.500 4.508 3.457 5.398 . 0 0 "[ . 1 . 2]" 1
259 1 24 ARG H 1 24 ARG HG2 . . 4.230 3.183 2.547 4.204 . 0 0 "[ . 1 . 2]" 1
260 1 24 ARG H 1 24 ARG QG . . 3.570 2.650 2.500 2.890 . 0 0 "[ . 1 . 2]" 1
261 1 24 ARG H 1 24 ARG HG3 . . 4.230 3.389 2.521 4.213 . 0 0 "[ . 1 . 2]" 1
262 1 24 ARG H 1 25 ILE H . . 3.690 2.724 2.710 2.759 . 0 0 "[ . 1 . 2]" 1
263 1 24 ARG H 1 25 ILE HB . . 5.170 5.087 5.018 5.156 . 0 0 "[ . 1 . 2]" 1
264 1 24 ARG HA 1 24 ARG QG . . 3.730 2.544 2.240 2.764 . 0 0 "[ . 1 . 2]" 1
265 1 25 ILE H 1 25 ILE HB . . 3.340 2.553 2.485 2.593 . 0 0 "[ . 1 . 2]" 1
266 1 25 ILE H 1 25 ILE HG12 . . 3.950 2.523 1.989 3.283 . 0 0 "[ . 1 . 2]" 1
267 1 25 ILE H 1 25 ILE QG . . 3.410 2.069 1.977 2.200 . 0 0 "[ . 1 . 2]" 1
268 1 25 ILE H 1 25 ILE HG13 . . 3.950 2.948 2.054 3.572 . 0 0 "[ . 1 . 2]" 1
269 1 25 ILE H 1 25 ILE MG . . 3.930 3.765 3.761 3.770 . 0 0 "[ . 1 . 2]" 1
270 1 25 ILE HA 1 25 ILE MD . . 4.020 2.738 2.040 3.783 . 0 0 "[ . 1 . 2]" 1
271 1 25 ILE HA 1 25 ILE QG . . 3.730 2.651 2.380 2.848 . 0 0 "[ . 1 . 2]" 1
272 1 25 ILE HA 1 30 ASP HB2 . . 5.500 5.583 5.552 5.630 0.130 16 0 "[ . 1 . 2]" 1
273 1 25 ILE HA 1 30 ASP HB3 . . 5.000 5.063 5.024 5.082 0.082 3 0 "[ . 1 . 2]" 1
274 1 25 ILE HB 1 26 LYS H . . 4.630 3.877 3.816 3.920 . 0 0 "[ . 1 . 2]" 1
275 1 25 ILE MD 1 31 LEU HA . . 5.180 5.263 5.212 5.331 0.151 14 0 "[ . 1 . 2]" 1
276 1 25 ILE MD 1 34 ALA MB . . 3.960 3.768 3.442 4.007 0.047 5 0 "[ . 1 . 2]" 1
277 1 25 ILE QG 1 26 LYS H . . 4.640 4.257 3.987 4.445 . 0 0 "[ . 1 . 2]" 1
278 1 25 ILE MG 1 26 LYS H . . 4.400 2.002 1.917 2.127 . 0 0 "[ . 1 . 2]" 1
279 1 25 ILE MG 1 27 THR H . . 4.830 4.765 4.719 4.807 . 0 0 "[ . 1 . 2]" 1
280 1 25 ILE MG 1 30 ASP H . . 4.940 4.964 4.826 5.020 0.080 6 0 "[ . 1 . 2]" 1
281 1 25 ILE MG 1 30 ASP HB2 . . 4.430 4.330 4.200 4.389 . 0 0 "[ . 1 . 2]" 1
282 1 25 ILE MG 1 30 ASP HB3 . . 3.880 3.242 3.143 3.279 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE MG 1 31 LEU H . . 4.960 4.385 4.280 4.462 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE MG 1 31 LEU HA . . 4.230 4.273 4.160 4.348 0.118 18 0 "[ . 1 . 2]" 1
285 1 25 ILE MG 1 31 LEU HB2 . . 5.030 4.483 4.177 5.033 0.003 9 0 "[ . 1 . 2]" 1
286 1 25 ILE MG 1 34 ALA MB . . 4.020 3.758 3.425 4.068 0.048 10 0 "[ . 1 . 2]" 1
287 1 26 LYS H 1 26 LYS QG . . 4.660 3.449 1.917 3.990 . 0 0 "[ . 1 . 2]" 1
288 1 26 LYS H 1 30 ASP HB2 . . 4.410 3.562 3.522 3.630 . 0 0 "[ . 1 . 2]" 1
289 1 26 LYS QB 1 27 THR H . . 4.090 2.121 2.075 2.212 . 0 0 "[ . 1 . 2]" 1
290 1 26 LYS QB 1 27 THR MG . . 4.070 3.918 3.128 4.131 0.061 17 0 "[ . 1 . 2]" 1
291 1 26 LYS QB 1 29 VAL QG . . 4.080 2.845 2.652 4.114 0.034 16 0 "[ . 1 . 2]" 1
292 1 26 LYS QG 1 27 THR H . . 4.360 2.979 2.398 4.068 . 0 0 "[ . 1 . 2]" 1
293 1 27 THR H 1 27 THR MG . . 3.830 2.289 1.915 2.686 . 0 0 "[ . 1 . 2]" 1
294 1 27 THR H 1 29 VAL QG . . 4.410 3.014 2.821 4.454 0.044 16 0 "[ . 1 . 2]" 1
295 1 27 THR H 1 30 ASP HB2 . . 4.560 4.292 4.241 4.477 . 0 0 "[ . 1 . 2]" 1
296 1 27 THR H 1 30 ASP HB3 . . 4.060 3.945 3.901 4.084 0.024 19 0 "[ . 1 . 2]" 1
297 1 27 THR HA 1 27 THR MG . . 3.560 2.397 2.152 3.188 . 0 0 "[ . 1 . 2]" 1
298 1 27 THR HB 1 28 VAL H . . 3.450 2.083 1.935 3.581 0.131 16 0 "[ . 1 . 2]" 1
299 1 27 THR HB 1 29 VAL H . . 4.090 3.185 2.757 4.247 0.157 16 0 "[ . 1 . 2]" 1
300 1 27 THR MG 1 28 VAL H . . 4.000 3.472 2.908 3.748 . 0 0 "[ . 1 . 2]" 1
301 1 27 THR MG 1 29 VAL H . . 4.630 4.139 1.878 4.316 . 0 0 "[ . 1 . 2]" 1
302 1 28 VAL H 1 28 VAL HB . . 3.780 2.930 2.395 3.622 . 0 0 "[ . 1 . 2]" 1
303 1 28 VAL H 1 28 VAL MG1 . . 4.370 2.847 1.983 3.768 . 0 0 "[ . 1 . 2]" 1
304 1 28 VAL H 1 28 VAL QG . . 3.700 2.073 1.833 2.341 . 0 0 "[ . 1 . 2]" 1
305 1 28 VAL H 1 28 VAL MG2 . . 4.370 2.517 1.924 3.738 . 0 0 "[ . 1 . 2]" 1
306 1 28 VAL H 1 29 VAL H . . 4.080 2.818 2.810 2.821 . 0 0 "[ . 1 . 2]" 1
307 1 28 VAL H 1 29 VAL QG . . 4.180 3.791 3.624 4.190 0.010 6 0 "[ . 1 . 2]" 1
308 1 28 VAL HA 1 28 VAL MG1 . . 3.650 2.536 2.188 3.201 . 0 0 "[ . 1 . 2]" 1
309 1 28 VAL HA 1 28 VAL QG . . 3.070 2.176 2.046 2.332 . 0 0 "[ . 1 . 2]" 1
310 1 28 VAL HA 1 28 VAL MG2 . . 3.650 2.621 2.207 3.203 . 0 0 "[ . 1 . 2]" 1
311 1 28 VAL HA 1 30 ASP H . . 4.270 4.218 4.173 4.341 0.071 16 0 "[ . 1 . 2]" 1
312 1 28 VAL HA 1 31 LEU H . . 4.420 3.139 3.081 3.182 . 0 0 "[ . 1 . 2]" 1
313 1 28 VAL HA 1 31 LEU HB2 . . 4.480 2.380 2.138 2.670 . 0 0 "[ . 1 . 2]" 1
314 1 28 VAL HB 1 29 VAL H . . 3.960 3.506 2.890 3.988 0.028 18 0 "[ . 1 . 2]" 1
315 1 28 VAL QG 1 29 VAL H . . 3.700 2.644 1.968 3.411 . 0 0 "[ . 1 . 2]" 1
316 1 28 VAL QG 1 29 VAL QG . . 5.380 3.193 2.401 4.114 . 0 0 "[ . 1 . 2]" 1
317 1 28 VAL QG 1 31 LEU H . . 4.970 4.099 3.809 4.439 . 0 0 "[ . 1 . 2]" 1
318 1 29 VAL H 1 29 VAL HB . . 3.660 3.180 2.498 3.615 . 0 0 "[ . 1 . 2]" 1
319 1 29 VAL H 1 29 VAL MG1 . . 3.970 2.350 2.064 3.760 . 0 0 "[ . 1 . 2]" 1
320 1 29 VAL H 1 29 VAL QG . . 3.340 1.977 1.861 2.196 . 0 0 "[ . 1 . 2]" 1
321 1 29 VAL H 1 29 VAL MG2 . . 3.970 2.582 1.965 3.763 . 0 0 "[ . 1 . 2]" 1
322 1 29 VAL H 1 30 ASP H . . 3.940 2.797 2.787 2.830 . 0 0 "[ . 1 . 2]" 1
323 1 29 VAL HA 1 31 LEU H . . 4.560 4.404 4.306 4.563 0.003 3 0 "[ . 1 . 2]" 1
324 1 29 VAL HB 1 30 ASP H . . 3.900 3.575 2.490 3.883 . 0 0 "[ . 1 . 2]" 1
325 1 29 VAL QG 1 30 ASP H . . 3.900 1.982 1.843 3.041 . 0 0 "[ . 1 . 2]" 1
326 1 29 VAL QG 1 31 LEU H . . 4.150 3.914 3.807 4.441 0.291 6 0 "[ . 1 . 2]" 1
327 1 30 ASP H 1 30 ASP HB2 . . 3.890 2.776 2.696 2.803 . 0 0 "[ . 1 . 2]" 1
328 1 30 ASP H 1 30 ASP HB3 . . 3.870 2.341 2.321 2.399 . 0 0 "[ . 1 . 2]" 1
329 1 30 ASP H 1 31 LEU H . . 3.770 2.514 2.489 2.547 . 0 0 "[ . 1 . 2]" 1
330 1 30 ASP HB2 1 31 LEU H . . 4.120 4.081 4.015 4.112 . 0 0 "[ . 1 . 2]" 1
331 1 30 ASP HB3 1 31 LEU H . . 3.930 2.826 2.714 2.877 . 0 0 "[ . 1 . 2]" 1
332 1 31 LEU H 1 31 LEU HB2 . . 3.330 2.191 2.064 2.317 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU H 1 31 LEU QD . . 5.140 3.419 2.566 3.735 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU H 1 32 VAL H . . 3.550 2.790 2.766 2.891 . 0 0 "[ . 1 . 2]" 1
335 1 31 LEU HA 1 31 LEU QD . . 3.590 2.355 1.874 3.041 . 0 0 "[ . 1 . 2]" 1
336 1 31 LEU HA 1 34 ALA MB . . 3.610 2.017 1.924 2.269 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU HB2 1 32 VAL H . . 4.100 3.601 3.132 3.837 . 0 0 "[ . 1 . 2]" 1
338 1 31 LEU HB3 1 32 VAL H . . 3.780 2.696 2.341 3.132 . 0 0 "[ . 1 . 2]" 1
339 1 31 LEU HB3 1 33 SER H . . 4.920 4.862 4.563 4.976 0.056 5 0 "[ . 1 . 2]" 1
340 1 31 LEU HB3 1 34 ALA MB . . 4.750 4.355 3.973 4.628 . 0 0 "[ . 1 . 2]" 1
341 1 31 LEU QD 1 32 VAL H . . 4.790 3.694 3.270 4.192 . 0 0 "[ . 1 . 2]" 1
342 1 31 LEU QD 1 34 ALA H . . 4.350 3.966 3.558 4.334 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU QD 1 34 ALA MB . . 3.400 2.530 1.919 3.257 . 0 0 "[ . 1 . 2]" 1
344 1 31 LEU QD 1 35 ASP H . . 5.400 4.732 4.092 5.391 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU QD 1 36 LEU H . . 4.350 3.609 3.039 4.328 . 0 0 "[ . 1 . 2]" 1
346 1 31 LEU QD 1 36 LEU QB . . 4.210 2.361 1.874 3.513 . 0 0 "[ . 1 . 2]" 1
347 1 31 LEU MD1 1 32 VAL H . . 5.500 4.373 3.348 4.901 . 0 0 "[ . 1 . 2]" 1
348 1 31 LEU MD2 1 32 VAL H . . 5.500 4.247 3.385 4.713 . 0 0 "[ . 1 . 2]" 1
349 1 32 VAL H 1 32 VAL HB . . 3.770 2.634 2.286 3.600 . 0 0 "[ . 1 . 2]" 1
350 1 32 VAL H 1 32 VAL MG1 . . 3.810 2.818 1.918 3.765 . 0 0 "[ . 1 . 2]" 1
351 1 32 VAL H 1 32 VAL QG . . 2.940 2.265 1.857 2.533 . 0 0 "[ . 1 . 2]" 1
352 1 32 VAL H 1 32 VAL MG2 . . 3.810 2.957 2.039 3.695 . 0 0 "[ . 1 . 2]" 1
353 1 32 VAL H 1 33 SER H . . 3.670 2.746 2.686 2.806 . 0 0 "[ . 1 . 2]" 1
354 1 32 VAL H 1 33 SER QB . . 4.620 4.590 4.507 4.624 0.004 5 0 "[ . 1 . 2]" 1
355 1 32 VAL H 1 34 ALA H . . 4.310 3.908 3.779 3.973 . 0 0 "[ . 1 . 2]" 1
356 1 32 VAL HA 1 32 VAL MG1 . . 3.440 2.788 2.358 3.181 . 0 0 "[ . 1 . 2]" 1
357 1 32 VAL HA 1 32 VAL QG . . 2.910 2.163 2.036 2.356 . 0 0 "[ . 1 . 2]" 1
358 1 32 VAL HA 1 32 VAL MG2 . . 3.440 2.427 2.060 3.185 . 0 0 "[ . 1 . 2]" 1
359 1 32 VAL HA 1 34 ALA H . . 4.480 4.285 3.827 4.484 0.004 7 0 "[ . 1 . 2]" 1
360 1 32 VAL HA 1 54 ARG QD . . 4.220 3.651 2.959 4.214 . 0 0 "[ . 1 . 2]" 1
361 1 32 VAL HA 1 54 ARG HG2 . . 5.500 5.266 4.450 5.502 0.002 16 0 "[ . 1 . 2]" 1
362 1 32 VAL HA 1 54 ARG QG . . 4.750 4.577 4.019 4.762 0.012 20 0 "[ . 1 . 2]" 1
363 1 32 VAL HA 1 54 ARG HG3 . . 5.500 5.119 4.212 5.496 . 0 0 "[ . 1 . 2]" 1
364 1 32 VAL HB 1 33 SER H . . 4.200 3.550 2.555 4.126 . 0 0 "[ . 1 . 2]" 1
365 1 32 VAL QG 1 33 SER H . . 3.650 2.450 2.085 3.258 . 0 0 "[ . 1 . 2]" 1
366 1 32 VAL QG 1 34 ALA H . . 4.180 3.999 3.821 4.327 0.147 5 0 "[ . 1 . 2]" 1
367 1 33 SER H 1 33 SER HB2 . . 3.590 2.735 2.179 3.125 . 0 0 "[ . 1 . 2]" 1
368 1 33 SER H 1 33 SER HB3 . . 3.590 2.749 2.291 3.505 . 0 0 "[ . 1 . 2]" 1
369 1 33 SER H 1 34 ALA H . . 3.300 2.153 2.026 2.454 . 0 0 "[ . 1 . 2]" 1
370 1 33 SER H 1 34 ALA MB . . 4.170 3.812 3.707 4.036 . 0 0 "[ . 1 . 2]" 1
371 1 33 SER QB 1 34 ALA H . . 3.860 3.100 2.913 3.385 . 0 0 "[ . 1 . 2]" 1
372 1 34 ALA H 1 34 ALA MB . . 2.800 2.208 2.092 2.311 . 0 0 "[ . 1 . 2]" 1
373 1 34 ALA H 1 36 LEU H . . 5.100 4.796 4.213 5.083 . 0 0 "[ . 1 . 2]" 1
374 1 34 ALA HA 1 35 ASP H . . 3.370 2.591 2.432 3.157 . 0 0 "[ . 1 . 2]" 1
375 1 34 ALA MB 1 35 ASP H . . 3.570 2.229 1.914 3.436 . 0 0 "[ . 1 . 2]" 1
376 1 34 ALA MB 1 39 VAL QG . . 4.020 3.729 3.201 4.024 0.004 10 0 "[ . 1 . 2]" 1
377 1 35 ASP H 1 35 ASP HB2 . . 3.990 2.631 2.371 3.730 . 0 0 "[ . 1 . 2]" 1
378 1 35 ASP H 1 35 ASP HB3 . . 3.990 3.604 2.867 3.902 . 0 0 "[ . 1 . 2]" 1
379 1 35 ASP H 1 36 LEU QB . . 5.340 4.909 4.608 5.258 . 0 0 "[ . 1 . 2]" 1
380 1 35 ASP H 1 36 LEU MD2 . . 5.500 5.152 4.927 5.460 . 0 0 "[ . 1 . 2]" 1
381 1 35 ASP H 1 37 GLU H . . 5.500 5.476 5.063 5.512 0.012 6 0 "[ . 1 . 2]" 1
382 1 35 ASP H 1 39 VAL QG . . 5.360 3.652 3.196 4.887 . 0 0 "[ . 1 . 2]" 1
383 1 35 ASP HA 1 36 LEU H . . 3.570 2.547 2.384 2.670 . 0 0 "[ . 1 . 2]" 1
384 1 35 ASP QB 1 38 GLU H . . 4.400 2.892 2.519 3.701 . 0 0 "[ . 1 . 2]" 1
385 1 35 ASP QB 1 38 GLU QB . . 3.860 2.203 1.938 2.820 . 0 0 "[ . 1 . 2]" 1
386 1 36 LEU H 1 36 LEU QB . . 3.280 2.128 2.105 2.154 . 0 0 "[ . 1 . 2]" 1
387 1 36 LEU H 1 36 LEU MD2 . . 4.660 3.566 3.469 3.638 . 0 0 "[ . 1 . 2]" 1
388 1 36 LEU H 1 37 GLU H . . 4.150 2.722 2.612 2.747 . 0 0 "[ . 1 . 2]" 1
389 1 36 LEU H 1 38 GLU H . . 4.860 4.347 4.189 4.449 . 0 0 "[ . 1 . 2]" 1
390 1 36 LEU H 1 47 TYR QE . . 5.500 4.795 4.150 5.310 . 0 0 "[ . 1 . 2]" 1
391 1 36 LEU HA 1 36 LEU MD2 . . 3.110 2.090 1.980 2.136 . 0 0 "[ . 1 . 2]" 1
392 1 36 LEU HA 1 39 VAL H . . 3.640 3.476 3.372 3.534 . 0 0 "[ . 1 . 2]" 1
393 1 36 LEU HA 1 39 VAL HB . . 3.840 2.596 2.395 3.917 0.077 10 0 "[ . 1 . 2]" 1
394 1 36 LEU HA 1 39 VAL MG1 . . 4.750 3.857 1.871 4.304 . 0 0 "[ . 1 . 2]" 1
395 1 36 LEU HA 1 39 VAL QG . . 3.600 2.822 1.869 3.071 . 0 0 "[ . 1 . 2]" 1
396 1 36 LEU HA 1 39 VAL MG2 . . 4.750 3.024 2.783 4.417 . 0 0 "[ . 1 . 2]" 1
397 1 36 LEU HA 1 40 ALA H . . 4.040 3.551 3.378 3.685 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU QB 1 37 GLU H . . 3.860 2.665 2.606 2.815 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HB2 1 36 LEU MD2 . . 3.200 2.300 2.276 2.353 . 0 0 "[ . 1 . 2]" 1
400 1 36 LEU HB3 1 36 LEU MD2 . . 3.200 3.184 3.180 3.191 . 0 0 "[ . 1 . 2]" 1
401 1 36 LEU MD1 1 37 GLU H . . 4.310 3.649 3.547 3.830 . 0 0 "[ . 1 . 2]" 1
402 1 36 LEU MD1 1 37 GLU QB . . 4.650 4.430 4.244 4.662 0.012 4 0 "[ . 1 . 2]" 1
403 1 36 LEU MD1 1 40 ALA MB . . 3.980 2.028 1.903 2.208 . 0 0 "[ . 1 . 2]" 1
404 1 36 LEU MD1 1 41 GLN H . . 5.420 4.975 4.757 5.170 . 0 0 "[ . 1 . 2]" 1
405 1 36 LEU MD1 1 50 LEU H . . 4.890 4.463 4.179 4.703 . 0 0 "[ . 1 . 2]" 1
406 1 36 LEU MD1 1 50 LEU HB2 . . 4.060 2.769 2.421 3.460 . 0 0 "[ . 1 . 2]" 1
407 1 36 LEU MD1 1 50 LEU QB . . 3.460 2.589 2.327 3.069 . 0 0 "[ . 1 . 2]" 1
408 1 36 LEU MD1 1 50 LEU HB3 . . 4.060 3.222 2.616 3.905 . 0 0 "[ . 1 . 2]" 1
409 1 36 LEU MD2 1 39 VAL H . . 4.950 4.783 4.661 4.884 . 0 0 "[ . 1 . 2]" 1
410 1 36 LEU MD2 1 39 VAL HB . . 4.390 3.162 2.941 4.355 . 0 0 "[ . 1 . 2]" 1
411 1 36 LEU MD2 1 40 ALA H . . 4.120 4.080 3.882 4.132 0.012 10 0 "[ . 1 . 2]" 1
412 1 36 LEU MD2 1 40 ALA HA . . 4.820 4.719 4.368 4.832 0.012 10 0 "[ . 1 . 2]" 1
413 1 36 LEU MD2 1 40 ALA MB . . 3.710 3.626 3.263 3.720 0.010 20 0 "[ . 1 . 2]" 1
414 1 36 LEU MD2 1 47 TYR HA . . 5.500 5.485 5.413 5.516 0.016 20 0 "[ . 1 . 2]" 1
415 1 37 GLU H 1 37 GLU QB . . 2.940 2.543 2.284 2.631 . 0 0 "[ . 1 . 2]" 1
416 1 37 GLU H 1 37 GLU QG . . 3.020 2.027 1.920 3.021 0.001 4 0 "[ . 1 . 2]" 1
417 1 37 GLU H 1 38 GLU H . . 3.360 2.715 2.549 2.776 . 0 0 "[ . 1 . 2]" 1
418 1 37 GLU H 1 38 GLU QB . . 5.230 4.557 4.328 4.789 . 0 0 "[ . 1 . 2]" 1
419 1 37 GLU H 1 47 TYR QD . . 4.730 4.247 3.426 4.732 0.002 6 0 "[ . 1 . 2]" 1
420 1 37 GLU H 1 47 TYR QE . . 4.100 3.538 2.865 4.101 0.001 4 0 "[ . 1 . 2]" 1
421 1 37 GLU HA 1 40 ALA H . . 4.140 3.909 3.752 4.047 . 0 0 "[ . 1 . 2]" 1
422 1 37 GLU HA 1 40 ALA MB . . 3.580 2.958 2.709 3.099 . 0 0 "[ . 1 . 2]" 1
423 1 37 GLU QB 1 38 GLU H . . 3.700 3.305 2.570 3.486 . 0 0 "[ . 1 . 2]" 1
424 1 38 GLU H 1 38 GLU HB2 . . 3.850 2.380 2.184 2.612 . 0 0 "[ . 1 . 2]" 1
425 1 38 GLU H 1 38 GLU QB . . 3.070 2.261 2.163 2.474 . 0 0 "[ . 1 . 2]" 1
426 1 38 GLU H 1 38 GLU HB3 . . 3.850 3.011 2.486 3.607 . 0 0 "[ . 1 . 2]" 1
427 1 38 GLU H 1 38 GLU QG . . 4.410 3.500 2.180 4.068 . 0 0 "[ . 1 . 2]" 1
428 1 38 GLU H 1 39 VAL H . . 3.550 2.571 2.552 2.574 . 0 0 "[ . 1 . 2]" 1
429 1 38 GLU H 1 40 ALA H . . 4.590 4.003 3.888 4.128 . 0 0 "[ . 1 . 2]" 1
430 1 38 GLU HA 1 41 GLN HB2 . . 4.370 2.726 2.512 3.005 . 0 0 "[ . 1 . 2]" 1
431 1 38 GLU HA 1 41 GLN QG . . 4.570 3.766 3.077 4.325 . 0 0 "[ . 1 . 2]" 1
432 1 38 GLU QB 1 39 VAL H . . 3.260 2.423 2.384 2.534 . 0 0 "[ . 1 . 2]" 1
433 1 38 GLU QB 1 39 VAL QG . . 4.990 3.081 2.933 3.856 . 0 0 "[ . 1 . 2]" 1
434 1 38 GLU HB2 1 39 VAL H . . 3.800 3.232 2.428 3.795 . 0 0 "[ . 1 . 2]" 1
435 1 38 GLU HB3 1 39 VAL H . . 3.800 2.763 2.418 3.562 . 0 0 "[ . 1 . 2]" 1
436 1 39 VAL H 1 39 VAL HB . . 3.290 2.583 2.509 2.644 . 0 0 "[ . 1 . 2]" 1
437 1 39 VAL H 1 39 VAL MG1 . . 3.940 3.680 2.093 3.766 . 0 0 "[ . 1 . 2]" 1
438 1 39 VAL H 1 39 VAL QG . . 2.940 2.146 1.935 2.260 . 0 0 "[ . 1 . 2]" 1
439 1 39 VAL H 1 39 VAL MG2 . . 3.940 2.242 1.941 3.761 . 0 0 "[ . 1 . 2]" 1
440 1 39 VAL H 1 40 ALA H . . 3.680 2.737 2.629 2.815 . 0 0 "[ . 1 . 2]" 1
441 1 39 VAL HA 1 39 VAL MG1 . . 3.610 2.369 2.277 3.200 . 0 0 "[ . 1 . 2]" 1
442 1 39 VAL HA 1 39 VAL QG . . 3.040 2.087 2.051 2.159 . 0 0 "[ . 1 . 2]" 1
443 1 39 VAL HA 1 39 VAL MG2 . . 3.610 2.347 2.195 2.438 . 0 0 "[ . 1 . 2]" 1
444 1 39 VAL HA 1 41 GLN H . . 4.580 4.264 4.087 4.394 . 0 0 "[ . 1 . 2]" 1
445 1 39 VAL HA 1 42 LYS H . . 4.560 3.563 3.338 3.670 . 0 0 "[ . 1 . 2]" 1
446 1 39 VAL HA 1 42 LYS QG . . 4.450 2.969 1.991 4.055 . 0 0 "[ . 1 . 2]" 1
447 1 39 VAL HA 1 43 CYS H . . 4.520 3.760 3.653 3.997 . 0 0 "[ . 1 . 2]" 1
448 1 39 VAL HB 1 40 ALA H . . 3.840 2.655 2.452 3.876 0.036 10 0 "[ . 1 . 2]" 1
449 1 39 VAL QG 1 40 ALA H . . 3.610 3.164 2.000 3.281 . 0 0 "[ . 1 . 2]" 1
450 1 39 VAL QG 1 40 ALA HA . . 4.640 3.456 2.974 3.688 . 0 0 "[ . 1 . 2]" 1
451 1 39 VAL QG 1 40 ALA MB . . 5.440 3.881 2.893 4.034 . 0 0 "[ . 1 . 2]" 1
452 1 39 VAL QG 1 43 CYS H . . 4.250 3.633 3.400 3.754 . 0 0 "[ . 1 . 2]" 1
453 1 39 VAL MG1 1 40 ALA H . . 4.250 3.410 2.009 3.626 . 0 0 "[ . 1 . 2]" 1
454 1 39 VAL MG2 1 40 ALA H . . 4.250 3.803 3.701 3.849 . 0 0 "[ . 1 . 2]" 1
455 1 40 ALA H 1 40 ALA MB . . 3.020 2.218 2.146 2.233 . 0 0 "[ . 1 . 2]" 1
456 1 40 ALA H 1 41 GLN H . . 3.490 2.653 2.618 2.795 . 0 0 "[ . 1 . 2]" 1
457 1 40 ALA H 1 41 GLN HB2 . . 4.710 4.561 4.441 4.721 0.011 1 0 "[ . 1 . 2]" 1
458 1 40 ALA H 1 45 LEU H . . 5.500 5.489 5.365 5.618 0.118 1 0 "[ . 1 . 2]" 1
459 1 40 ALA HA 1 43 CYS H . . 4.450 3.681 3.614 3.783 . 0 0 "[ . 1 . 2]" 1
460 1 40 ALA HA 1 45 LEU H . . 3.610 2.903 2.775 3.133 . 0 0 "[ . 1 . 2]" 1
461 1 40 ALA HA 1 45 LEU HB2 . . 4.380 2.761 2.175 4.090 . 0 0 "[ . 1 . 2]" 1
462 1 40 ALA HA 1 45 LEU QB . . 3.810 2.446 2.163 2.677 . 0 0 "[ . 1 . 2]" 1
463 1 40 ALA HA 1 45 LEU HB3 . . 4.380 3.746 2.287 4.368 . 0 0 "[ . 1 . 2]" 1
464 1 40 ALA HA 1 45 LEU HG . . 4.890 4.088 2.910 4.919 0.029 14 0 "[ . 1 . 2]" 1
465 1 40 ALA MB 1 41 GLN H . . 3.150 2.659 2.504 2.728 . 0 0 "[ . 1 . 2]" 1
466 1 40 ALA MB 1 45 LEU H . . 4.310 3.392 3.248 3.623 . 0 0 "[ . 1 . 2]" 1
467 1 40 ALA MB 1 47 TYR H . . 4.890 3.329 2.992 3.797 . 0 0 "[ . 1 . 2]" 1
468 1 40 ALA MB 1 47 TYR HA . . 3.410 3.188 2.888 3.418 0.008 6 0 "[ . 1 . 2]" 1
469 1 40 ALA MB 1 47 TYR QB . . 3.610 2.700 2.275 3.339 . 0 0 "[ . 1 . 2]" 1
470 1 41 GLN H 1 41 GLN HB2 . . 3.130 2.173 2.068 2.294 . 0 0 "[ . 1 . 2]" 1
471 1 41 GLN H 1 41 GLN QG . . 4.020 3.033 2.581 3.909 . 0 0 "[ . 1 . 2]" 1
472 1 41 GLN H 1 42 LYS H . . 3.580 2.677 2.565 2.732 . 0 0 "[ . 1 . 2]" 1
473 1 41 GLN H 1 42 LYS QG . . 4.360 4.070 3.695 4.365 0.005 7 0 "[ . 1 . 2]" 1
474 1 41 GLN H 1 45 LEU H . . 5.170 4.934 4.832 5.028 . 0 0 "[ . 1 . 2]" 1
475 1 41 GLN HA 1 41 GLN QG . . 3.610 2.363 2.070 2.690 . 0 0 "[ . 1 . 2]" 1
476 1 41 GLN HB2 1 43 CYS H . . 5.310 5.125 4.894 5.342 0.032 1 0 "[ . 1 . 2]" 1
477 1 41 GLN HB3 1 42 LYS H . . 3.340 3.055 2.600 3.350 0.010 1 0 "[ . 1 . 2]" 1
478 1 42 LYS H 1 42 LYS HB2 . . 3.860 2.892 2.364 3.593 . 0 0 "[ . 1 . 2]" 1
479 1 42 LYS H 1 42 LYS QB . . 3.310 2.506 2.332 2.583 . 0 0 "[ . 1 . 2]" 1
480 1 42 LYS H 1 42 LYS HB3 . . 3.860 3.259 2.627 3.598 . 0 0 "[ . 1 . 2]" 1
481 1 42 LYS H 1 42 LYS QG . . 3.650 2.102 1.928 2.440 . 0 0 "[ . 1 . 2]" 1
482 1 42 LYS H 1 43 CYS H . . 3.700 2.631 2.590 2.754 . 0 0 "[ . 1 . 2]" 1
483 1 42 LYS HA 1 42 LYS QD . . 4.610 3.722 2.077 4.497 . 0 0 "[ . 1 . 2]" 1
484 1 42 LYS HA 1 42 LYS QG . . 3.530 2.846 2.292 3.342 . 0 0 "[ . 1 . 2]" 1
485 1 42 LYS QB 1 43 CYS H . . 3.560 2.766 2.430 3.365 . 0 0 "[ . 1 . 2]" 1
486 1 42 LYS HB2 1 43 CYS H . . 4.240 2.895 2.465 3.653 . 0 0 "[ . 1 . 2]" 1
487 1 42 LYS HB3 1 43 CYS H . . 4.240 3.709 3.389 3.937 . 0 0 "[ . 1 . 2]" 1
488 1 42 LYS QG 1 43 CYS H . . 4.580 3.278 2.023 4.149 . 0 0 "[ . 1 . 2]" 1
489 1 43 CYS H 1 43 CYS HB2 . . 3.650 2.419 2.174 3.622 . 0 0 "[ . 1 . 2]" 1
490 1 43 CYS H 1 43 CYS QB . . 3.100 2.287 2.154 2.633 . 0 0 "[ . 1 . 2]" 1
491 1 43 CYS H 1 43 CYS HB3 . . 3.650 3.145 2.551 3.589 . 0 0 "[ . 1 . 2]" 1
492 1 43 CYS H 1 44 GLY H . . 3.400 2.531 2.353 2.551 . 0 0 "[ . 1 . 2]" 1
493 1 43 CYS H 1 45 LEU H . . 4.300 4.075 3.942 4.225 . 0 0 "[ . 1 . 2]" 1
494 1 43 CYS QB 1 44 GLY H . . 4.260 2.936 2.833 3.612 . 0 0 "[ . 1 . 2]" 1
495 1 43 CYS QB 1 45 LEU H . . 4.210 2.939 2.711 4.099 . 0 0 "[ . 1 . 2]" 1
496 1 44 GLY H 1 45 LEU QD . . 5.190 4.328 3.215 5.317 0.127 9 0 "[ . 1 . 2]" 1
497 1 45 LEU H 1 45 LEU HB2 . . 3.950 2.516 2.198 2.960 . 0 0 "[ . 1 . 2]" 1
498 1 45 LEU H 1 45 LEU QB . . 3.250 2.351 2.176 2.664 . 0 0 "[ . 1 . 2]" 1
499 1 45 LEU H 1 45 LEU HB3 . . 3.950 3.330 2.282 3.681 . 0 0 "[ . 1 . 2]" 1
500 1 45 LEU H 1 45 LEU MD1 . . 4.280 3.749 2.263 4.425 0.145 6 0 "[ . 1 . 2]" 1
501 1 45 LEU H 1 45 LEU QD . . 3.640 3.099 2.249 3.754 0.114 3 0 "[ . 1 . 2]" 1
502 1 45 LEU H 1 45 LEU MD2 . . 4.280 3.546 2.265 4.240 . 0 0 "[ . 1 . 2]" 1
503 1 45 LEU H 1 45 LEU HG . . 4.310 3.346 2.075 4.423 0.113 6 0 "[ . 1 . 2]" 1
504 1 45 LEU H 1 46 SER H . . 4.770 4.544 4.518 4.584 . 0 0 "[ . 1 . 2]" 1
505 1 45 LEU HA 1 45 LEU QD . . 3.130 2.298 1.916 3.153 0.023 6 0 "[ . 1 . 2]" 1
506 1 45 LEU HA 1 46 SER H . . 3.560 2.451 2.204 2.513 . 0 0 "[ . 1 . 2]" 1
507 1 45 LEU QD 1 46 SER H . . 3.920 2.900 2.068 3.698 . 0 0 "[ . 1 . 2]" 1
508 1 45 LEU MD1 1 46 SER H . . 4.480 3.611 2.075 4.466 . 0 0 "[ . 1 . 2]" 1
509 1 45 LEU MD2 1 46 SER H . . 4.480 3.631 2.521 4.312 . 0 0 "[ . 1 . 2]" 1
510 1 46 SER H 1 46 SER HB2 . . 4.100 2.694 2.220 3.623 . 0 0 "[ . 1 . 2]" 1
511 1 46 SER H 1 46 SER QB . . 3.420 2.517 2.197 2.879 . 0 0 "[ . 1 . 2]" 1
512 1 46 SER H 1 46 SER HB3 . . 4.100 3.408 2.458 3.701 . 0 0 "[ . 1 . 2]" 1
513 1 46 SER H 1 47 TYR H . . 4.460 4.281 4.214 4.462 0.002 6 0 "[ . 1 . 2]" 1
514 1 46 SER QB 1 49 ALA H . . 3.670 2.807 2.473 3.260 . 0 0 "[ . 1 . 2]" 1
515 1 46 SER QB 1 49 ALA MB . . 3.350 2.723 2.216 3.352 0.002 9 0 "[ . 1 . 2]" 1
516 1 47 TYR H 1 48 LYS H . . 4.140 2.645 2.614 2.757 . 0 0 "[ . 1 . 2]" 1
517 1 47 TYR HA 1 49 ALA H . . 4.110 4.035 3.985 4.111 0.001 5 0 "[ . 1 . 2]" 1
518 1 47 TYR HA 1 50 LEU HB2 . . 4.480 3.198 2.805 4.204 . 0 0 "[ . 1 . 2]" 1
519 1 47 TYR HA 1 50 LEU QB . . 3.910 2.915 2.629 3.190 . 0 0 "[ . 1 . 2]" 1
520 1 47 TYR HA 1 50 LEU HB3 . . 4.480 3.487 3.135 4.177 . 0 0 "[ . 1 . 2]" 1
521 1 47 TYR HA 1 50 LEU QD . . 5.440 4.292 3.677 4.696 . 0 0 "[ . 1 . 2]" 1
522 1 47 TYR QB 1 48 LYS H . . 3.490 2.864 2.712 2.942 . 0 0 "[ . 1 . 2]" 1
523 1 47 TYR QD 1 48 LYS H . . 4.180 3.935 3.317 4.186 0.006 20 0 "[ . 1 . 2]" 1
524 1 48 LYS H 1 48 LYS QB . . 3.130 2.493 2.222 2.610 . 0 0 "[ . 1 . 2]" 1
525 1 48 LYS H 1 48 LYS HG2 . . 4.130 2.424 1.968 3.401 . 0 0 "[ . 1 . 2]" 1
526 1 48 LYS H 1 48 LYS QG . . 3.490 2.144 1.940 2.664 . 0 0 "[ . 1 . 2]" 1
527 1 48 LYS H 1 48 LYS HG3 . . 4.130 2.957 2.004 3.743 . 0 0 "[ . 1 . 2]" 1
528 1 48 LYS H 1 49 ALA H . . 3.650 2.728 2.716 2.733 . 0 0 "[ . 1 . 2]" 1
529 1 48 LYS H 1 50 LEU H . . 4.370 4.181 4.057 4.369 . 0 0 "[ . 1 . 2]" 1
530 1 48 LYS HA 1 48 LYS QD . . 4.400 3.422 2.044 4.382 . 0 0 "[ . 1 . 2]" 1
531 1 48 LYS HA 1 50 LEU H . . 4.520 4.179 3.826 4.426 . 0 0 "[ . 1 . 2]" 1
532 1 48 LYS HA 1 51 VAL H . . 3.960 3.466 3.208 3.701 . 0 0 "[ . 1 . 2]" 1
533 1 48 LYS HA 1 51 VAL HB . . 4.380 3.461 2.492 4.278 . 0 0 "[ . 1 . 2]" 1
534 1 48 LYS HA 1 51 VAL MG1 . . 4.760 3.155 1.899 4.497 . 0 0 "[ . 1 . 2]" 1
535 1 48 LYS HA 1 51 VAL QG . . 3.630 2.099 1.897 2.559 . 0 0 "[ . 1 . 2]" 1
536 1 48 LYS HA 1 51 VAL MG2 . . 4.760 3.233 1.979 4.692 . 0 0 "[ . 1 . 2]" 1
537 1 48 LYS HA 1 52 ALA H . . 4.650 4.260 3.864 4.650 0.000 6 0 "[ . 1 . 2]" 1
538 1 48 LYS QB 1 49 ALA H . . 3.410 2.916 2.619 3.412 0.002 14 0 "[ . 1 . 2]" 1
539 1 49 ALA H 1 49 ALA MB . . 2.930 2.146 2.022 2.249 . 0 0 "[ . 1 . 2]" 1
540 1 49 ALA H 1 50 LEU H . . 3.290 2.627 2.501 2.772 . 0 0 "[ . 1 . 2]" 1
541 1 49 ALA H 1 50 LEU QB . . 5.240 4.355 4.228 4.521 . 0 0 "[ . 1 . 2]" 1
542 1 49 ALA MB 1 50 LEU H . . 3.360 2.748 2.507 2.929 . 0 0 "[ . 1 . 2]" 1
543 1 49 ALA MB 1 53 LEU QD . . 3.780 3.468 2.753 3.780 0.000 7 0 "[ . 1 . 2]" 1
544 1 50 LEU H 1 50 LEU HB2 . . 3.550 2.329 2.197 2.778 . 0 0 "[ . 1 . 2]" 1
545 1 50 LEU H 1 50 LEU QB . . 3.040 2.175 2.136 2.249 . 0 0 "[ . 1 . 2]" 1
546 1 50 LEU H 1 50 LEU HB3 . . 3.550 2.753 2.296 2.916 . 0 0 "[ . 1 . 2]" 1
547 1 50 LEU H 1 50 LEU MD1 . . 4.840 4.243 4.076 4.275 . 0 0 "[ . 1 . 2]" 1
548 1 50 LEU H 1 50 LEU QD . . 4.110 3.523 3.394 3.755 . 0 0 "[ . 1 . 2]" 1
549 1 50 LEU H 1 50 LEU MD2 . . 4.840 3.779 3.566 4.213 . 0 0 "[ . 1 . 2]" 1
550 1 50 LEU H 1 51 VAL H . . 3.560 2.576 2.483 2.673 . 0 0 "[ . 1 . 2]" 1
551 1 50 LEU H 1 51 VAL QG . . 4.330 3.690 3.472 4.086 . 0 0 "[ . 1 . 2]" 1
552 1 50 LEU HA 1 53 LEU H . . 3.740 3.541 3.408 3.743 0.003 18 0 "[ . 1 . 2]" 1
553 1 50 LEU HA 1 53 LEU HB2 . . 4.500 3.120 2.788 3.489 . 0 0 "[ . 1 . 2]" 1
554 1 50 LEU HA 1 53 LEU QD . . 5.410 2.693 1.937 3.574 . 0 0 "[ . 1 . 2]" 1
555 1 50 LEU HA 1 54 ARG H . . 4.600 4.246 3.791 4.599 . 0 0 "[ . 1 . 2]" 1
556 1 50 LEU QB 1 51 VAL H . . 4.140 2.496 2.270 2.760 . 0 0 "[ . 1 . 2]" 1
557 1 50 LEU QB 1 51 VAL QG . . 4.100 3.433 3.060 3.733 . 0 0 "[ . 1 . 2]" 1
558 1 50 LEU QD 1 51 VAL H . . 4.710 3.463 2.763 3.874 . 0 0 "[ . 1 . 2]" 1
559 1 50 LEU QD 1 51 VAL HA . . 4.030 3.313 2.634 4.030 0.000 14 0 "[ . 1 . 2]" 1
560 1 50 LEU QD 1 54 ARG H . . 3.830 3.349 2.915 3.831 0.001 17 0 "[ . 1 . 2]" 1
561 1 50 LEU QD 1 54 ARG HA . . 4.890 4.341 3.817 4.813 . 0 0 "[ . 1 . 2]" 1
562 1 50 LEU QD 1 54 ARG QB . . 4.160 2.990 2.319 3.766 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU QD 1 54 ARG QG . . 4.060 2.978 2.176 3.857 . 0 0 "[ . 1 . 2]" 1
564 1 51 VAL H 1 51 VAL HB . . 3.110 2.593 2.549 2.649 . 0 0 "[ . 1 . 2]" 1
565 1 51 VAL H 1 51 VAL QG . . 3.100 2.047 1.904 2.240 . 0 0 "[ . 1 . 2]" 1
566 1 51 VAL H 1 52 ALA H . . 3.520 2.713 2.577 2.762 . 0 0 "[ . 1 . 2]" 1
567 1 51 VAL HA 1 51 VAL MG1 . . 3.390 2.712 2.257 3.203 . 0 0 "[ . 1 . 2]" 1
568 1 51 VAL HA 1 51 VAL MG2 . . 3.390 2.340 2.290 2.393 . 0 0 "[ . 1 . 2]" 1
569 1 51 VAL HA 1 54 ARG H . . 4.070 3.490 3.337 3.687 . 0 0 "[ . 1 . 2]" 1
570 1 51 VAL HA 1 54 ARG HB2 . . 4.480 2.745 2.302 3.290 . 0 0 "[ . 1 . 2]" 1
571 1 51 VAL HA 1 54 ARG HB3 . . 4.480 3.580 2.891 4.356 . 0 0 "[ . 1 . 2]" 1
572 1 51 VAL HB 1 52 ALA H . . 4.110 3.244 2.548 3.991 . 0 0 "[ . 1 . 2]" 1
573 1 51 VAL HB 1 52 ALA MB . . 5.500 4.636 3.851 5.458 . 0 0 "[ . 1 . 2]" 1
574 1 51 VAL QG 1 52 ALA H . . 3.350 2.731 2.068 3.316 . 0 0 "[ . 1 . 2]" 1
575 1 51 VAL QG 1 52 ALA HA . . 4.050 3.311 2.978 3.694 . 0 0 "[ . 1 . 2]" 1
576 1 51 VAL QG 1 52 ALA MB . . 5.190 3.540 2.935 4.093 . 0 0 "[ . 1 . 2]" 1
577 1 51 VAL QG 1 54 ARG H . . 5.420 4.329 4.085 4.564 . 0 0 "[ . 1 . 2]" 1
578 1 51 VAL QG 1 54 ARG QB . . 4.530 3.397 3.152 3.628 . 0 0 "[ . 1 . 2]" 1
579 1 51 VAL QG 1 55 ARG H . . 4.030 3.639 3.374 4.017 . 0 0 "[ . 1 . 2]" 1
580 1 51 VAL QG 1 55 ARG QB . . 4.300 3.088 2.763 3.834 . 0 0 "[ . 1 . 2]" 1
581 1 51 VAL MG1 1 52 ALA H . . 3.940 2.894 2.083 3.645 . 0 0 "[ . 1 . 2]" 1
582 1 51 VAL MG2 1 52 ALA H . . 3.940 3.696 3.512 3.871 . 0 0 "[ . 1 . 2]" 1
583 1 52 ALA H 1 52 ALA MB . . 2.800 2.163 2.052 2.237 . 0 0 "[ . 1 . 2]" 1
584 1 52 ALA H 1 53 LEU H . . 3.440 2.747 2.641 2.798 . 0 0 "[ . 1 . 2]" 1
585 1 52 ALA H 1 55 ARG QB . . 5.340 4.852 4.655 5.204 . 0 0 "[ . 1 . 2]" 1
586 1 52 ALA HA 1 55 ARG H . . 3.820 3.746 3.534 3.822 0.002 3 0 "[ . 1 . 2]" 1
587 1 52 ALA HA 1 55 ARG HB2 . . 4.450 3.558 2.865 3.985 . 0 0 "[ . 1 . 2]" 1
588 1 52 ALA HA 1 55 ARG QB . . 3.770 2.963 2.757 3.116 . 0 0 "[ . 1 . 2]" 1
589 1 52 ALA HA 1 55 ARG HB3 . . 4.450 3.274 2.859 4.369 . 0 0 "[ . 1 . 2]" 1
590 1 52 ALA HA 1 55 ARG QD . . 4.680 4.122 3.497 4.678 . 0 0 "[ . 1 . 2]" 1
591 1 52 ALA MB 1 53 LEU H . . 3.210 2.516 2.435 2.656 . 0 0 "[ . 1 . 2]" 1
592 1 52 ALA MB 1 53 LEU QD . . 5.440 3.468 2.575 3.905 . 0 0 "[ . 1 . 2]" 1
593 1 52 ALA MB 1 55 ARG H . . 5.170 4.787 4.645 4.853 . 0 0 "[ . 1 . 2]" 1
594 1 53 LEU H 1 53 LEU HB2 . . 2.940 2.363 2.138 2.655 . 0 0 "[ . 1 . 2]" 1
595 1 53 LEU H 1 53 LEU HB3 . . 3.620 3.551 3.459 3.594 . 0 0 "[ . 1 . 2]" 1
596 1 53 LEU H 1 53 LEU MD1 . . 4.310 3.246 2.020 4.013 . 0 0 "[ . 1 . 2]" 1
597 1 53 LEU H 1 53 LEU QD . . 3.370 2.937 1.989 3.357 . 0 0 "[ . 1 . 2]" 1
598 1 53 LEU H 1 53 LEU MD2 . . 4.310 3.706 1.993 4.263 . 0 0 "[ . 1 . 2]" 1
599 1 53 LEU H 1 53 LEU HG . . 3.760 2.704 1.967 3.822 0.062 15 0 "[ . 1 . 2]" 1
600 1 53 LEU H 1 54 ARG H . . 3.990 2.651 2.572 2.816 . 0 0 "[ . 1 . 2]" 1
601 1 53 LEU H 1 55 ARG QB . . 5.200 4.956 4.836 5.182 . 0 0 "[ . 1 . 2]" 1
602 1 53 LEU H 1 56 VAL HB . . 5.500 5.498 5.457 5.527 0.027 17 0 "[ . 1 . 2]" 1
603 1 53 LEU HA 1 53 LEU MD1 . . 4.090 3.679 2.171 3.978 . 0 0 "[ . 1 . 2]" 1
604 1 53 LEU HA 1 53 LEU QD . . 3.490 2.381 1.988 2.924 . 0 0 "[ . 1 . 2]" 1
605 1 53 LEU HA 1 53 LEU MD2 . . 4.090 2.514 1.995 3.582 . 0 0 "[ . 1 . 2]" 1
606 1 53 LEU HA 1 56 VAL HB . . 4.260 2.968 2.894 3.087 . 0 0 "[ . 1 . 2]" 1
607 1 53 LEU HA 1 56 VAL MG1 . . 4.450 4.282 4.211 4.454 0.004 14 0 "[ . 1 . 2]" 1
608 1 53 LEU HA 1 56 VAL MG2 . . 3.690 2.798 2.681 3.225 . 0 0 "[ . 1 . 2]" 1
609 1 53 LEU HB2 1 54 ARG H . . 4.120 2.588 2.420 2.861 . 0 0 "[ . 1 . 2]" 1
610 1 53 LEU HB3 1 54 ARG H . . 4.100 3.439 3.115 3.781 . 0 0 "[ . 1 . 2]" 1
611 1 54 ARG H 1 54 ARG HB2 . . 4.070 2.146 2.062 2.279 . 0 0 "[ . 1 . 2]" 1
612 1 54 ARG H 1 54 ARG QB . . 3.320 2.115 2.041 2.253 . 0 0 "[ . 1 . 2]" 1
613 1 54 ARG H 1 54 ARG HB3 . . 4.070 3.255 2.875 3.542 . 0 0 "[ . 1 . 2]" 1
614 1 54 ARG H 1 54 ARG QG . . 4.140 3.359 2.601 3.994 . 0 0 "[ . 1 . 2]" 1
615 1 54 ARG H 1 55 ARG H . . 3.290 2.748 2.709 2.774 . 0 0 "[ . 1 . 2]" 1
616 1 54 ARG H 1 55 ARG QB . . 4.920 4.465 4.431 4.532 . 0 0 "[ . 1 . 2]" 1
617 1 54 ARG H 1 56 VAL H . . 4.410 4.158 4.125 4.299 . 0 0 "[ . 1 . 2]" 1
618 1 54 ARG H 1 57 LEU QB . . 5.270 4.851 4.401 5.100 . 0 0 "[ . 1 . 2]" 1
619 1 54 ARG H 1 57 LEU QD . . 4.540 4.124 3.846 4.612 0.072 14 0 "[ . 1 . 2]" 1
620 1 54 ARG HA 1 54 ARG HD2 . . 5.360 4.076 2.217 4.709 . 0 0 "[ . 1 . 2]" 1
621 1 54 ARG HA 1 54 ARG QD . . 4.570 3.585 2.195 4.124 . 0 0 "[ . 1 . 2]" 1
622 1 54 ARG HA 1 54 ARG HD3 . . 5.360 4.101 2.682 4.663 . 0 0 "[ . 1 . 2]" 1
623 1 54 ARG HA 1 57 LEU QB . . 4.110 2.543 2.363 2.692 . 0 0 "[ . 1 . 2]" 1
624 1 54 ARG QB 1 55 ARG H . . 3.200 2.568 2.458 2.646 . 0 0 "[ . 1 . 2]" 1
625 1 54 ARG QB 1 56 VAL H . . 5.180 4.616 4.571 4.778 . 0 0 "[ . 1 . 2]" 1
626 1 54 ARG HB2 1 55 ARG H . . 3.730 3.088 2.619 3.544 . 0 0 "[ . 1 . 2]" 1
627 1 54 ARG HB3 1 55 ARG H . . 3.730 2.872 2.507 3.323 . 0 0 "[ . 1 . 2]" 1
628 1 54 ARG QG 1 55 ARG H . . 5.340 4.283 4.003 4.406 . 0 0 "[ . 1 . 2]" 1
629 1 54 ARG QG 1 57 LEU QD . . 3.830 3.486 2.630 3.870 0.040 9 0 "[ . 1 . 2]" 1
630 1 55 ARG H 1 55 ARG QB . . 2.970 2.204 2.094 2.247 . 0 0 "[ . 1 . 2]" 1
631 1 55 ARG H 1 55 ARG QD . . 4.720 4.465 4.239 4.714 . 0 0 "[ . 1 . 2]" 1
632 1 55 ARG H 1 55 ARG QG . . 4.410 3.858 2.731 3.982 . 0 0 "[ . 1 . 2]" 1
633 1 55 ARG H 1 56 VAL H . . 3.530 2.719 2.659 2.751 . 0 0 "[ . 1 . 2]" 1
634 1 55 ARG H 1 56 VAL HB . . 5.010 4.978 4.916 5.032 0.022 14 0 "[ . 1 . 2]" 1
635 1 55 ARG H 1 56 VAL MG2 . . 4.420 4.223 4.139 4.268 . 0 0 "[ . 1 . 2]" 1
636 1 55 ARG H 1 57 LEU H . . 4.260 4.179 4.058 4.221 . 0 0 "[ . 1 . 2]" 1
637 1 55 ARG HA 1 55 ARG QG . . 3.720 2.327 2.157 2.529 . 0 0 "[ . 1 . 2]" 1
638 1 55 ARG HA 1 58 LEU H . . 4.140 3.693 3.676 3.818 . 0 0 "[ . 1 . 2]" 1
639 1 55 ARG HA 1 58 LEU MD1 . . 4.240 2.805 2.567 3.858 . 0 0 "[ . 1 . 2]" 1
640 1 55 ARG QB 1 56 VAL H . . 3.460 2.618 2.445 2.706 . 0 0 "[ . 1 . 2]" 1
641 1 55 ARG QB 1 56 VAL MG2 . . 3.680 3.043 2.939 3.165 . 0 0 "[ . 1 . 2]" 1
642 1 55 ARG QD 1 58 LEU MD1 . . 4.790 4.310 3.754 4.791 0.001 19 0 "[ . 1 . 2]" 1
643 1 55 ARG QG 1 56 VAL H . . 4.360 3.930 3.557 4.356 . 0 0 "[ . 1 . 2]" 1
644 1 55 ARG QG 1 58 LEU MD1 . . 3.540 2.826 2.455 3.545 0.005 4 0 "[ . 1 . 2]" 1
645 1 56 VAL H 1 56 VAL HB . . 3.240 2.520 2.492 2.561 . 0 0 "[ . 1 . 2]" 1
646 1 56 VAL H 1 56 VAL MG1 . . 3.770 3.766 3.762 3.770 0.000 14 0 "[ . 1 . 2]" 1
647 1 56 VAL H 1 56 VAL MG2 . . 3.980 2.255 2.116 2.318 . 0 0 "[ . 1 . 2]" 1
648 1 56 VAL H 1 57 LEU H . . 3.490 2.582 2.565 2.586 . 0 0 "[ . 1 . 2]" 1
649 1 56 VAL H 1 59 ALA MB . . 4.420 4.289 4.255 4.322 . 0 0 "[ . 1 . 2]" 1
650 1 56 VAL HA 1 56 VAL MG1 . . 3.440 2.333 2.300 2.387 . 0 0 "[ . 1 . 2]" 1
651 1 56 VAL HA 1 56 VAL MG2 . . 3.530 2.372 2.291 2.433 . 0 0 "[ . 1 . 2]" 1
652 1 56 VAL HA 1 59 ALA H . . 4.240 3.467 3.417 3.490 . 0 0 "[ . 1 . 2]" 1
653 1 56 VAL HA 1 59 ALA MB . . 3.540 2.256 2.210 2.334 . 0 0 "[ . 1 . 2]" 1
654 1 56 VAL HB 1 57 LEU H . . 3.630 2.663 2.659 2.684 . 0 0 "[ . 1 . 2]" 1
655 1 56 VAL HB 1 57 LEU QD . . 5.130 3.404 2.703 5.225 0.095 14 0 "[ . 1 . 2]" 1
656 1 56 VAL HB 1 59 ALA H . . 5.500 5.458 5.444 5.462 . 0 0 "[ . 1 . 2]" 1
657 1 56 VAL MG2 1 57 LEU H . . 4.310 3.856 3.815 3.889 . 0 0 "[ . 1 . 2]" 1
658 1 56 VAL MG2 1 57 LEU HA . . 5.450 5.392 5.382 5.398 . 0 0 "[ . 1 . 2]" 1
659 1 57 LEU H 1 57 LEU HB2 . . 3.860 2.217 2.058 2.928 . 0 0 "[ . 1 . 2]" 1
660 1 57 LEU H 1 57 LEU QB . . 3.050 2.155 2.040 2.381 . 0 0 "[ . 1 . 2]" 1
661 1 57 LEU H 1 57 LEU HB3 . . 3.860 3.410 2.160 3.578 . 0 0 "[ . 1 . 2]" 1
662 1 57 LEU H 1 57 LEU MD1 . . 4.260 2.979 2.295 4.330 0.070 14 0 "[ . 1 . 2]" 1
663 1 57 LEU H 1 57 LEU QD . . 3.660 2.687 2.171 3.419 . 0 0 "[ . 1 . 2]" 1
664 1 57 LEU H 1 57 LEU MD2 . . 4.260 3.801 2.184 4.256 . 0 0 "[ . 1 . 2]" 1
665 1 57 LEU HA 1 57 LEU MD1 . . 4.350 2.995 2.061 3.903 . 0 0 "[ . 1 . 2]" 1
666 1 57 LEU HA 1 57 LEU QD . . 3.620 2.447 1.976 3.262 . 0 0 "[ . 1 . 2]" 1
667 1 57 LEU HA 1 57 LEU MD2 . . 4.350 3.149 2.025 3.788 . 0 0 "[ . 1 . 2]" 1
668 1 57 LEU QB 1 58 LEU H . . 3.120 2.538 2.426 2.646 . 0 0 "[ . 1 . 2]" 1
669 1 57 LEU QB 1 58 LEU HB3 . . 4.470 4.024 3.847 4.310 . 0 0 "[ . 1 . 2]" 1
670 1 57 LEU QB 1 58 LEU MD2 . . 4.560 4.274 4.177 4.497 . 0 0 "[ . 1 . 2]" 1
671 1 58 LEU H 1 58 LEU HB3 . . 3.740 2.625 2.333 2.693 . 0 0 "[ . 1 . 2]" 1
672 1 58 LEU H 1 58 LEU MD2 . . 3.590 3.134 3.115 3.164 . 0 0 "[ . 1 . 2]" 1
673 1 58 LEU H 1 59 ALA H . . 3.600 2.508 2.501 2.511 . 0 0 "[ . 1 . 2]" 1
674 1 58 LEU HA 1 58 LEU MD1 . . 3.740 3.594 3.388 3.676 . 0 0 "[ . 1 . 2]" 1
675 1 58 LEU HA 1 58 LEU MD2 . . 4.250 4.056 4.012 4.114 . 0 0 "[ . 1 . 2]" 1
676 1 58 LEU HA 1 61 PHE H . . 4.080 3.340 3.225 3.439 . 0 0 "[ . 1 . 2]" 1
677 1 58 LEU HB2 1 59 ALA H . . 4.060 3.821 3.770 4.054 . 0 0 "[ . 1 . 2]" 1
678 1 58 LEU MD1 1 59 ALA MB . . 3.600 2.717 2.462 3.274 . 0 0 "[ . 1 . 2]" 1
679 1 58 LEU MD2 1 59 ALA H . . 4.040 3.966 3.756 4.017 . 0 0 "[ . 1 . 2]" 1
680 1 59 ALA H 1 59 ALA MB . . 2.770 2.191 2.138 2.232 . 0 0 "[ . 1 . 2]" 1
681 1 59 ALA H 1 60 GLN H . . 3.410 2.771 2.709 2.822 . 0 0 "[ . 1 . 2]" 1
682 1 59 ALA H 1 60 GLN QB . . 5.340 4.876 4.643 5.111 . 0 0 "[ . 1 . 2]" 1
683 1 59 ALA H 1 60 GLN QG . . 4.770 4.237 3.866 4.649 . 0 0 "[ . 1 . 2]" 1
684 1 59 ALA MB 1 60 GLN H . . 3.480 2.510 2.396 2.681 . 0 0 "[ . 1 . 2]" 1
685 1 59 ALA MB 1 61 PHE H . . 4.590 4.415 4.315 4.582 . 0 0 "[ . 1 . 2]" 1
686 1 60 GLN H 1 60 GLN HB2 . . 3.770 2.967 2.382 3.610 . 0 0 "[ . 1 . 2]" 1
687 1 60 GLN H 1 60 GLN QB . . 3.280 2.472 2.349 2.635 . 0 0 "[ . 1 . 2]" 1
688 1 60 GLN H 1 60 GLN HB3 . . 3.770 3.147 2.499 3.598 . 0 0 "[ . 1 . 2]" 1
689 1 60 GLN H 1 60 GLN HG2 . . 3.990 2.407 1.951 3.235 . 0 0 "[ . 1 . 2]" 1
690 1 60 GLN H 1 60 GLN QG . . 3.350 2.184 1.927 2.507 . 0 0 "[ . 1 . 2]" 1
691 1 60 GLN H 1 60 GLN HG3 . . 3.990 3.130 1.949 3.475 . 0 0 "[ . 1 . 2]" 1
692 1 60 GLN HA 1 60 GLN HG2 . . 4.150 3.122 2.286 4.156 0.006 11 0 "[ . 1 . 2]" 1
693 1 60 GLN HA 1 60 GLN QG . . 3.530 2.902 2.246 3.379 . 0 0 "[ . 1 . 2]" 1
694 1 60 GLN HA 1 60 GLN HG3 . . 4.150 3.679 3.258 3.836 . 0 0 "[ . 1 . 2]" 1
695 1 60 GLN QB 1 61 PHE H . . 4.020 3.016 2.515 3.506 . 0 0 "[ . 1 . 2]" 1
696 1 60 GLN QG 1 61 PHE H . . 4.140 3.240 2.116 4.139 . 0 0 "[ . 1 . 2]" 1
697 1 60 GLN HG2 1 61 PHE H . . 4.920 3.679 2.299 4.879 . 0 0 "[ . 1 . 2]" 1
698 1 60 GLN HG3 1 61 PHE H . . 4.920 3.717 2.126 4.912 . 0 0 "[ . 1 . 2]" 1
699 1 61 PHE H 1 61 PHE HB2 . . 4.000 2.379 2.115 2.584 . 0 0 "[ . 1 . 2]" 1
700 1 61 PHE H 1 61 PHE QB . . 3.370 2.223 2.096 2.307 . 0 0 "[ . 1 . 2]" 1
701 1 61 PHE H 1 61 PHE HB3 . . 4.000 2.887 2.476 3.577 . 0 0 "[ . 1 . 2]" 1
702 1 61 PHE H 1 61 PHE QD . . 4.240 3.740 2.549 4.180 . 0 0 "[ . 1 . 2]" 1
703 1 63 ALA MB 1 64 PHE H . . 3.800 2.885 1.965 3.719 . 0 0 "[ . 1 . 2]" 1
704 1 64 PHE H 1 64 PHE HB2 . . 4.080 2.831 2.181 3.985 . 0 0 "[ . 1 . 2]" 1
705 1 64 PHE H 1 64 PHE QB . . 3.410 2.621 2.160 3.130 . 0 0 "[ . 1 . 2]" 1
706 1 64 PHE H 1 64 PHE HB3 . . 4.080 3.519 2.706 4.086 0.006 6 0 "[ . 1 . 2]" 1
707 1 64 PHE H 1 64 PHE QD . . 4.440 3.119 2.190 4.441 0.001 8 0 "[ . 1 . 2]" 1
708 1 64 PHE HA 1 65 PRO HD2 . . 3.960 2.359 2.070 2.512 . 0 0 "[ . 1 . 2]" 1
709 1 64 PHE HA 1 65 PRO QD . . 3.410 2.116 2.028 2.156 . 0 0 "[ . 1 . 2]" 1
710 1 64 PHE HA 1 65 PRO HD3 . . 3.960 2.551 2.319 2.988 . 0 0 "[ . 1 . 2]" 1
711 1 65 PRO HA 1 66 VAL H . . 3.140 2.355 2.151 2.636 . 0 0 "[ . 1 . 2]" 1
712 1 65 PRO QB 1 66 VAL H . . 4.120 3.082 2.055 3.912 . 0 0 "[ . 1 . 2]" 1
713 1 66 VAL H 1 66 VAL HB . . 3.640 3.090 2.509 3.637 . 0 0 "[ . 1 . 2]" 1
714 1 66 VAL H 1 66 VAL QG . . 3.380 2.227 1.853 2.864 . 0 0 "[ . 1 . 2]" 1
715 1 66 VAL QG 1 67 ASN H . . 4.710 2.759 2.071 3.608 . 0 0 "[ . 1 . 2]" 1
716 1 69 ALA H 1 69 ALA MB . . 3.480 2.419 2.093 2.873 . 0 0 "[ . 1 . 2]" 1
717 1 69 ALA H 1 70 ASP H . . 4.560 4.127 2.639 4.560 0.000 19 0 "[ . 1 . 2]" 1
718 1 69 ALA HA 1 70 ASP H . . 3.570 2.358 2.140 3.543 . 0 0 "[ . 1 . 2]" 1
719 1 69 ALA MB 1 70 ASP H . . 3.750 3.049 2.045 3.695 . 0 0 "[ . 1 . 2]" 1
720 1 70 ASP H 1 70 ASP QB . . 3.450 2.881 2.335 3.431 . 0 0 "[ . 1 . 2]" 1
721 1 70 ASP H 1 71 LEU H . . 4.070 3.441 2.245 4.069 . 0 0 "[ . 1 . 2]" 1
722 1 70 ASP HA 1 71 LEU H . . 3.360 2.492 2.141 3.392 0.032 17 0 "[ . 1 . 2]" 1
723 1 70 ASP QB 1 71 LEU H . . 4.400 3.691 3.112 4.047 . 0 0 "[ . 1 . 2]" 1
724 1 71 LEU H 1 71 LEU HB2 . . 3.710 2.549 2.188 3.579 . 0 0 "[ . 1 . 2]" 1
725 1 71 LEU H 1 71 LEU QB . . 3.010 2.348 2.167 2.941 . 0 0 "[ . 1 . 2]" 1
726 1 71 LEU H 1 71 LEU HB3 . . 3.710 3.263 2.335 3.812 0.102 20 0 "[ . 1 . 2]" 1
727 1 71 LEU H 1 71 LEU HG . . 4.440 3.473 1.995 4.441 0.001 2 0 "[ . 1 . 2]" 1
728 1 71 LEU QB 1 72 TYR H . . 3.650 2.899 2.099 3.634 . 0 0 "[ . 1 . 2]" 1
729 1 71 LEU HB2 1 72 TYR H . . 4.180 3.663 2.189 4.292 0.112 20 0 "[ . 1 . 2]" 1
730 1 71 LEU HB3 1 72 TYR H . . 4.180 3.237 2.136 4.191 0.011 2 0 "[ . 1 . 2]" 1
731 1 72 TYR H 1 72 TYR QB . . 3.540 2.790 2.189 3.347 . 0 0 "[ . 1 . 2]" 1
732 1 73 GLU H 1 73 GLU QG . . 4.350 3.489 2.489 4.325 . 0 0 "[ . 1 . 2]" 1
733 1 73 GLU H 1 74 GLU H . . 4.400 3.918 2.619 4.380 . 0 0 "[ . 1 . 2]" 1
734 1 73 GLU H 1 74 GLU HA . . 4.790 4.667 4.454 4.769 . 0 0 "[ . 1 . 2]" 1
735 1 73 GLU HA 1 74 GLU H . . 3.290 2.439 2.139 2.972 . 0 0 "[ . 1 . 2]" 1
736 1 74 GLU H 1 74 GLU QB . . 3.200 2.653 2.248 3.199 . 0 0 "[ . 1 . 2]" 1
737 1 74 GLU H 1 75 LEU H . . 4.460 4.107 2.131 4.460 0.000 7 0 "[ . 1 . 2]" 1
738 1 74 GLU HA 1 75 LEU H . . 3.530 2.379 2.140 3.462 . 0 0 "[ . 1 . 2]" 1
739 1 74 GLU HA 1 75 LEU HA . . 4.510 4.410 4.314 4.513 0.003 2 0 "[ . 1 . 2]" 1
740 1 74 GLU QB 1 75 LEU H . . 4.270 3.200 1.998 3.977 . 0 0 "[ . 1 . 2]" 1
741 1 75 LEU H 1 75 LEU QB . . 3.270 2.432 2.161 3.037 . 0 0 "[ . 1 . 2]" 1
742 1 75 LEU QB 1 76 LYS H . . 4.430 3.531 2.445 4.006 . 0 0 "[ . 1 . 2]" 1
743 1 80 ALA MB 1 81 ILE HB . . 4.240 4.086 3.725 4.436 0.196 11 0 "[ . 1 . 2]" 1
744 1 81 ILE H 1 81 ILE HG12 . . 3.930 3.349 2.098 3.928 . 0 0 "[ . 1 . 2]" 1
745 1 81 ILE H 1 81 ILE HG13 . . 3.930 2.757 2.024 3.809 . 0 0 "[ . 1 . 2]" 1
746 1 82 LEU H 1 83 SER H . . 3.810 2.706 1.935 3.805 . 0 0 "[ . 1 . 2]" 1
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