NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
564070 |
2m0z   |
18833 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m0z
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 828
_Distance_constraint_stats_list.Viol_count 959
_Distance_constraint_stats_list.Viol_total 4517.195
_Distance_constraint_stats_list.Viol_max 3.024
_Distance_constraint_stats_list.Viol_rms 0.1217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0136
_Distance_constraint_stats_list.Viol_average_violations_only 0.2355
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.393 0.230 3 0 "[ . 1 . 2]"
1 3 LYS 2.734 0.609 12 1 "[ . 1 + . 2]"
1 4 PRO 8.444 0.474 18 0 "[ . 1 . 2]"
1 5 GLY 0.010 0.010 7 0 "[ . 1 . 2]"
1 6 ASP 0.047 0.030 20 0 "[ . 1 . 2]"
1 7 ILE 3.635 0.476 20 0 "[ . 1 . 2]"
1 8 PHE 2.930 0.975 6 3 "[ - .+ 1 . *2]"
1 9 GLU 0.382 0.143 8 0 "[ . 1 . 2]"
1 10 VAL 3.590 0.421 17 0 "[ . 1 . 2]"
1 11 GLU 5.278 0.323 6 0 "[ . 1 . 2]"
1 12 LEU 39.276 3.024 8 15 "[**-*.**+** ***. ***]"
1 13 ALA 4.277 0.319 19 0 "[ . 1 . 2]"
1 14 LYS 23.476 2.682 19 15 "[ **.****1 *****-*+*]"
1 15 ASN 0.531 0.142 15 0 "[ . 1 . 2]"
1 16 ASP 13.700 2.322 8 9 "[* . *+ 1-* ** **]"
1 17 ASN 0.120 0.117 7 0 "[ . 1 . 2]"
1 18 SER 13.820 2.322 8 9 "[* . *+ 1-* ** **]"
1 19 LEU 76.155 3.024 8 17 "[****.**+** -**** ***]"
1 20 GLY 2.893 0.876 15 1 "[ . 1 + 2]"
1 21 ILE 0.174 0.080 4 0 "[ . 1 . 2]"
1 22 CYS 0.860 0.248 9 0 "[ . 1 . 2]"
1 23 VAL 2.356 0.248 9 0 "[ . 1 . 2]"
1 24 THR 22.657 1.971 16 17 "[*** .*****- ***+****]"
1 25 GLY 0.127 0.072 17 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.559 0.051 17 0 "[ . 1 . 2]"
1 28 ASN 0.528 0.051 17 0 "[ . 1 . 2]"
1 29 THR 0.227 0.076 12 0 "[ . 1 . 2]"
1 30 SER 0.205 0.076 12 0 "[ . 1 . 2]"
1 31 VAL 0.104 0.072 17 0 "[ . 1 . 2]"
1 32 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 2.285 0.275 6 0 "[ . 1 . 2]"
1 37 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.241 0.097 12 0 "[ . 1 . 2]"
1 39 LYS 20.752 1.971 16 17 "[*** .*****- ***+****]"
1 40 ALA 0.037 0.031 2 0 "[ . 1 . 2]"
1 41 VAL 2.636 0.876 15 1 "[ . 1 + 2]"
1 42 ILE 0.385 0.078 20 0 "[ . 1 . 2]"
1 43 PRO 1.194 0.171 14 0 "[ . 1 . 2]"
1 44 GLN 0.212 0.117 14 0 "[ . 1 . 2]"
1 45 GLY 1.194 0.171 14 0 "[ . 1 . 2]"
1 46 ALA 5.174 0.997 4 5 "[ +.* * 1 - . *]"
1 47 ALA 35.085 2.832 8 16 "[****.**+** ***- ***]"
1 48 GLU 0.018 0.012 8 0 "[ . 1 . 2]"
1 49 SER 0.478 0.136 15 0 "[ . 1 . 2]"
1 50 ASP 0.014 0.011 7 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 2.147 0.457 14 0 "[ . 1 . 2]"
1 54 HIS 0.524 0.113 2 0 "[ . 1 . 2]"
1 55 LYS 1.222 0.120 6 0 "[ . 1 . 2]"
1 56 GLY 0.529 0.120 6 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 1.160 0.316 14 0 "[ . 1 . 2]"
1 59 VAL 6.530 0.427 17 0 "[ . 1 . 2]"
1 60 LEU 27.151 0.826 16 4 "[ . 1 * .+- *2]"
1 61 ALA 3.337 0.729 17 3 "[ . 1 * .-+ 2]"
1 62 VAL 0.260 0.077 9 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 10.426 0.644 18 1 "[ . 1 . + 2]"
1 68 GLU 0.074 0.074 6 0 "[ . 1 . 2]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.486 0.086 20 0 "[ . 1 . 2]"
1 71 THR 0.414 0.051 1 0 "[ . 1 . 2]"
1 72 HIS 1.113 0.077 11 0 "[ . 1 . 2]"
1 73 LYS 0.010 0.010 5 0 "[ . 1 . 2]"
1 74 GLN 0.533 0.086 20 0 "[ . 1 . 2]"
1 75 ALA 10.533 0.644 18 1 "[ . 1 . + 2]"
1 76 VAL 0.750 0.162 4 0 "[ . 1 . 2]"
1 77 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 THR 1.121 0.293 19 0 "[ . 1 . 2]"
1 79 LEU 0.617 0.067 6 0 "[ . 1 . 2]"
1 80 ARG 0.745 0.293 19 0 "[ . 1 . 2]"
1 81 ASN 0.345 0.255 17 0 "[ . 1 . 2]"
1 82 THR 2.884 0.263 19 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 GLN 16.279 2.682 19 12 "[ **.** *1 **** -*+2]"
1 85 VAL 5.796 0.443 9 0 "[ . 1 . 2]"
1 86 VAL 5.691 0.319 19 0 "[ . 1 . 2]"
1 87 HIS 0.153 0.073 6 0 "[ . 1 . 2]"
1 88 LEU 0.585 0.064 4 0 "[ . 1 . 2]"
1 89 LEU 13.415 0.826 16 4 "[ . 1 * .+- *2]"
1 90 LEU 11.468 0.421 17 0 "[ . 1 . 2]"
1 91 GLU 0.591 0.234 20 0 "[ . 1 . 2]"
1 92 LYS 15.821 0.975 6 3 "[ - .+ 1 . *2]"
1 93 GLY 0.592 0.305 13 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PRO 0.145 0.145 15 0 "[ . 1 . 2]"
1 97 THR 0.145 0.145 15 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 1 GLY QA 1 2 PRO HD2 . . 3.260 2.171 2.055 2.263 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 PRO HD3 . . 3.260 2.419 2.238 2.576 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 2 PRO QG . . 4.190 3.698 3.646 3.748 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HA 1 3 LYS H . . 2.850 2.306 2.126 2.663 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HA 1 3 LYS QG . . 4.630 3.805 3.478 4.659 0.029 8 0 "[ . 1 . 2]" 1
6 1 2 PRO HA 1 6 ASP QB . . 5.210 3.456 2.504 4.638 . 0 0 "[ . 1 . 2]" 1
7 1 2 PRO HB2 1 6 ASP QB . . 3.990 2.673 2.004 4.007 0.017 3 0 "[ . 1 . 2]" 1
8 1 2 PRO HB3 1 3 LYS H . . 4.230 3.929 3.076 4.460 0.230 3 0 "[ . 1 . 2]" 1
9 1 2 PRO HB3 1 6 ASP QB . . 4.730 3.434 2.167 4.357 . 0 0 "[ . 1 . 2]" 1
10 1 3 LYS H 1 3 LYS QE . . 4.740 4.370 3.340 5.349 0.609 12 1 "[ . 1 + . 2]" 1
11 1 3 LYS H 1 3 LYS QG . . 3.650 2.330 1.806 2.813 . 0 0 "[ . 1 . 2]" 1
12 1 3 LYS H 1 6 ASP QB . . 3.920 2.524 2.135 3.179 . 0 0 "[ . 1 . 2]" 1
13 1 3 LYS HA 1 3 LYS QD . . 4.100 4.095 3.711 4.214 0.114 6 0 "[ . 1 . 2]" 1
14 1 3 LYS HA 1 3 LYS QG . . 3.670 2.624 2.402 3.628 . 0 0 "[ . 1 . 2]" 1
15 1 3 LYS HA 1 4 PRO HD2 . . 3.530 2.436 2.260 3.004 . 0 0 "[ . 1 . 2]" 1
16 1 3 LYS HA 1 4 PRO QD . . 2.850 2.184 2.013 2.311 . 0 0 "[ . 1 . 2]" 1
17 1 3 LYS HA 1 4 PRO HD3 . . 3.530 2.543 2.045 2.777 . 0 0 "[ . 1 . 2]" 1
18 1 3 LYS HA 1 4 PRO QG . . 4.530 4.121 3.905 4.229 . 0 0 "[ . 1 . 2]" 1
19 1 3 LYS QB 1 4 PRO HD2 . . 3.790 1.997 1.887 2.120 . 0 0 "[ . 1 . 2]" 1
20 1 3 LYS QB 1 4 PRO QD . . 3.160 1.983 1.878 2.104 . 0 0 "[ . 1 . 2]" 1
21 1 3 LYS QB 1 4 PRO HD3 . . 3.790 3.420 2.903 3.569 . 0 0 "[ . 1 . 2]" 1
22 1 3 LYS QD 1 3 LYS QG . . 2.400 2.089 1.978 2.145 . 0 0 "[ . 1 . 2]" 1
23 1 3 LYS QG 1 4 PRO QD . . 4.080 3.266 2.903 3.872 . 0 0 "[ . 1 . 2]" 1
24 1 4 PRO HA 1 5 GLY H . . 3.120 2.167 2.080 2.257 . 0 0 "[ . 1 . 2]" 1
25 1 4 PRO HA 1 6 ASP H . . 4.250 3.376 3.130 3.573 . 0 0 "[ . 1 . 2]" 1
26 1 4 PRO HA 1 92 LYS QB . . 3.890 2.055 1.933 2.336 . 0 0 "[ . 1 . 2]" 1
27 1 4 PRO HA 1 92 LYS HG2 . . 4.210 4.603 4.248 4.684 0.474 18 0 "[ . 1 . 2]" 1
28 1 4 PRO HA 1 92 LYS QG . . 3.480 3.428 3.094 3.653 0.173 2 0 "[ . 1 . 2]" 1
29 1 4 PRO HA 1 92 LYS HG3 . . 4.210 3.543 3.162 3.859 . 0 0 "[ . 1 . 2]" 1
30 1 4 PRO HB2 1 5 GLY QA . . 4.340 4.122 3.976 4.245 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY H 1 6 ASP H . . 3.710 2.333 2.145 2.669 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY H 1 92 LYS QB . . 4.090 1.834 1.594 2.132 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY H 1 92 LYS QD . . 4.830 4.224 3.505 4.501 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY H 1 92 LYS QG . . 4.440 3.812 3.392 4.293 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLY QA 1 91 GLU QG . . 3.820 2.510 2.074 3.830 0.010 7 0 "[ . 1 . 2]" 1
36 1 5 GLY QA 1 92 LYS QB . . 4.260 3.442 3.057 3.822 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASP H 1 6 ASP HB2 . . 4.080 2.746 2.455 3.078 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASP H 1 6 ASP QB . . 3.350 2.483 2.325 2.624 . 0 0 "[ . 1 . 2]" 1
39 1 6 ASP H 1 6 ASP HB3 . . 4.080 3.036 2.600 3.807 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASP H 1 92 LYS QB . . 3.830 2.079 1.707 2.568 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASP H 1 92 LYS QG . . 4.370 3.472 2.741 4.008 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASP HA 1 7 ILE H . . 2.950 2.237 2.061 2.408 . 0 0 "[ . 1 . 2]" 1
43 1 6 ASP HA 1 7 ILE MD . . 4.110 2.916 2.568 3.578 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASP QB 1 7 ILE H . . 3.740 3.393 2.743 3.770 0.030 20 0 "[ . 1 . 2]" 1
45 1 6 ASP QB 1 7 ILE HA . . 5.140 4.531 4.108 4.792 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE HB . . 3.480 2.422 2.212 2.538 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 7 ILE MD . . 4.260 2.362 2.161 2.768 . 0 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 7 ILE HG12 . . 4.440 4.208 4.089 4.385 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE H 1 7 ILE QG . . 3.770 3.621 3.470 3.782 0.012 20 0 "[ . 1 . 2]" 1
50 1 7 ILE H 1 7 ILE HG13 . . 4.440 3.951 3.742 4.191 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE H 1 7 ILE MG . . 4.060 3.765 3.571 3.838 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE H 1 8 PHE HA . . 5.500 5.044 4.951 5.176 . 0 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 7 ILE MD . . 3.550 2.940 2.647 3.160 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE HA 1 7 ILE HG12 . . 4.240 3.732 3.700 3.764 . 0 0 "[ . 1 . 2]" 1
55 1 7 ILE HA 1 7 ILE QG . . 3.630 2.467 2.395 2.539 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HA 1 7 ILE HG13 . . 4.240 2.504 2.426 2.582 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE HA 1 7 ILE MG . . 3.200 2.528 2.444 2.728 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE HA 1 8 PHE H . . 3.150 2.203 2.136 2.272 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE HA 1 8 PHE QD . . 4.060 3.026 2.882 3.346 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE HA 1 91 GLU HA . . 3.450 2.134 2.030 2.333 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE HA 1 91 GLU QB . . 4.900 3.585 2.422 4.292 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE HA 1 91 GLU QG . . 4.410 3.317 2.797 4.327 . 0 0 "[ . 1 . 2]" 1
63 1 7 ILE HA 1 92 LYS H . . 4.680 3.420 3.248 3.604 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE HB 1 7 ILE MD . . 3.060 2.403 2.370 2.427 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE HB 1 8 PHE H . . 4.940 4.222 4.082 4.363 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE MD 1 8 PHE QD . . 5.500 5.143 5.104 5.173 . 0 0 "[ . 1 . 2]" 1
67 1 7 ILE MD 1 91 GLU HA . . 4.580 3.640 3.261 4.176 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE MD 1 91 GLU HG2 . . 4.170 3.565 2.262 3.687 . 0 0 "[ . 1 . 2]" 1
69 1 7 ILE MD 1 91 GLU QG . . 3.440 2.233 2.065 3.289 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE MD 1 91 GLU HG3 . . 4.170 2.326 2.079 3.722 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE QG 1 7 ILE MG . . 2.990 2.131 2.093 2.151 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE QG 1 91 GLU HA . . 3.950 3.071 2.577 3.585 . 0 0 "[ . 1 . 2]" 1
73 1 7 ILE QG 1 92 LYS H . . 4.540 4.701 4.466 5.016 0.476 20 0 "[ . 1 . 2]" 1
74 1 7 ILE HG12 1 7 ILE MG . . 3.450 2.297 2.264 2.332 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE HG13 1 7 ILE MG . . 3.450 2.525 2.442 2.568 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE MG 1 8 PHE H . . 3.380 2.500 2.321 2.674 . 0 0 "[ . 1 . 2]" 1
77 1 7 ILE MG 1 8 PHE HA . . 4.020 3.250 3.090 3.378 . 0 0 "[ . 1 . 2]" 1
78 1 7 ILE MG 1 89 LEU HG . . 3.720 2.487 2.185 2.767 . 0 0 "[ . 1 . 2]" 1
79 1 7 ILE MG 1 90 LEU H . . 4.380 3.313 2.826 3.768 . 0 0 "[ . 1 . 2]" 1
80 1 7 ILE MG 1 91 GLU HA . . 4.000 3.747 3.527 4.234 0.234 20 0 "[ . 1 . 2]" 1
81 1 8 PHE H 1 8 PHE QD . . 3.800 2.481 2.073 3.100 . 0 0 "[ . 1 . 2]" 1
82 1 8 PHE H 1 90 LEU H . . 4.390 3.021 2.790 3.316 . 0 0 "[ . 1 . 2]" 1
83 1 8 PHE H 1 90 LEU HB2 . . 5.020 4.043 3.817 4.547 . 0 0 "[ . 1 . 2]" 1
84 1 8 PHE H 1 91 GLU HA . . 4.460 3.304 2.889 3.635 . 0 0 "[ . 1 . 2]" 1
85 1 8 PHE HA 1 9 GLU H . . 3.040 2.331 2.183 2.511 . 0 0 "[ . 1 . 2]" 1
86 1 8 PHE HA 1 9 GLU QB . . 4.840 4.503 3.929 4.784 . 0 0 "[ . 1 . 2]" 1
87 1 8 PHE QB 1 9 GLU H . . 3.560 2.690 2.481 2.901 . 0 0 "[ . 1 . 2]" 1
88 1 8 PHE QD 1 9 GLU H . . 4.290 4.021 3.761 4.309 0.019 17 0 "[ . 1 . 2]" 1
89 1 8 PHE QD 1 10 VAL QG . . 3.930 2.218 2.089 2.347 . 0 0 "[ . 1 . 2]" 1
90 1 8 PHE QD 1 92 LYS H . . 4.750 3.176 2.538 3.552 . 0 0 "[ . 1 . 2]" 1
91 1 8 PHE QE 1 10 VAL QG . . 3.550 2.228 2.066 2.453 . 0 0 "[ . 1 . 2]" 1
92 1 8 PHE QE 1 90 LEU MD1 . . 4.050 3.254 2.677 4.006 . 0 0 "[ . 1 . 2]" 1
93 1 8 PHE QE 1 90 LEU MD2 . . 4.740 3.615 3.196 4.356 . 0 0 "[ . 1 . 2]" 1
94 1 8 PHE QE 1 92 LYS HA . . 3.680 2.772 2.520 3.449 . 0 0 "[ . 1 . 2]" 1
95 1 8 PHE QE 1 92 LYS QD . . 4.200 3.410 2.389 5.175 0.975 6 3 "[ - .+ 1 . *2]" 1
96 1 8 PHE HZ 1 90 LEU MD1 . . 4.860 3.990 3.564 4.823 . 0 0 "[ . 1 . 2]" 1
97 1 9 GLU H 1 9 GLU QB . . 3.540 2.545 2.290 2.764 . 0 0 "[ . 1 . 2]" 1
98 1 9 GLU H 1 9 GLU QG . . 3.790 2.963 2.306 3.933 0.143 8 0 "[ . 1 . 2]" 1
99 1 9 GLU H 1 10 VAL QG . . 4.840 4.160 3.843 4.429 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLU H 1 89 LEU QD . . 5.030 3.925 3.496 4.294 . 0 0 "[ . 1 . 2]" 1
101 1 9 GLU HA 1 9 GLU QG . . 3.690 2.564 2.390 2.781 . 0 0 "[ . 1 . 2]" 1
102 1 9 GLU HA 1 10 VAL H . . 3.030 2.231 2.166 2.293 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLU HA 1 89 LEU HA . . 3.420 2.490 2.195 2.679 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLU HA 1 89 LEU QD . . 3.650 2.349 2.080 2.510 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLU HA 1 90 LEU H . . 3.970 3.331 3.067 3.551 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLU HA 1 90 LEU MD1 . . 4.520 3.728 3.411 3.990 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLU QB 1 9 GLU QG . . 2.440 2.105 2.040 2.153 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLU QB 1 10 VAL H . . 3.890 2.988 2.620 3.626 . 0 0 "[ . 1 . 2]" 1
109 1 9 GLU QB 1 89 LEU HA . . 4.460 4.102 3.762 4.389 . 0 0 "[ . 1 . 2]" 1
110 1 9 GLU QB 1 89 LEU QD . . 3.470 3.098 2.320 3.453 . 0 0 "[ . 1 . 2]" 1
111 1 9 GLU QG 1 10 VAL H . . 4.390 4.095 2.257 4.422 0.032 16 0 "[ . 1 . 2]" 1
112 1 9 GLU QG 1 89 LEU HA . . 4.530 3.659 2.941 4.172 . 0 0 "[ . 1 . 2]" 1
113 1 9 GLU QG 1 89 LEU QD . . 3.050 2.045 1.804 2.700 . 0 0 "[ . 1 . 2]" 1
114 1 10 VAL H 1 10 VAL HB . . 3.940 2.728 2.620 2.818 . 0 0 "[ . 1 . 2]" 1
115 1 10 VAL H 1 10 VAL QG . . 3.630 2.736 2.579 2.800 . 0 0 "[ . 1 . 2]" 1
116 1 10 VAL H 1 88 LEU H . . 3.900 3.044 2.817 3.457 . 0 0 "[ . 1 . 2]" 1
117 1 10 VAL H 1 90 LEU MD1 . . 4.250 3.073 2.883 3.346 . 0 0 "[ . 1 . 2]" 1
118 1 10 VAL HA 1 10 VAL QG . . 3.240 2.154 2.095 2.213 . 0 0 "[ . 1 . 2]" 1
119 1 10 VAL HA 1 11 GLU H . . 3.160 2.134 2.031 2.221 . 0 0 "[ . 1 . 2]" 1
120 1 10 VAL HA 1 11 GLU QB . . 4.420 4.475 4.412 4.536 0.116 6 0 "[ . 1 . 2]" 1
121 1 10 VAL HA 1 11 GLU QG . . 5.230 3.970 3.597 4.350 . 0 0 "[ . 1 . 2]" 1
122 1 10 VAL HB 1 11 GLU H . . 4.640 4.179 4.090 4.274 . 0 0 "[ . 1 . 2]" 1
123 1 10 VAL HB 1 90 LEU MD1 . . 4.320 2.418 2.224 2.687 . 0 0 "[ . 1 . 2]" 1
124 1 10 VAL QG 1 11 GLU H . . 4.010 2.630 2.522 2.751 . 0 0 "[ . 1 . 2]" 1
125 1 10 VAL QG 1 90 LEU MD1 . . 2.930 2.037 1.895 2.211 . 0 0 "[ . 1 . 2]" 1
126 1 10 VAL QG 1 90 LEU MD2 . . 3.330 3.426 3.090 3.751 0.421 17 0 "[ . 1 . 2]" 1
127 1 11 GLU HA 1 11 GLU QG . . 3.640 3.031 2.249 3.562 . 0 0 "[ . 1 . 2]" 1
128 1 11 GLU HA 1 12 LEU H . . 3.130 2.129 2.073 2.192 . 0 0 "[ . 1 . 2]" 1
129 1 11 GLU HA 1 88 LEU H . . 3.240 3.032 2.722 3.291 0.051 5 0 "[ . 1 . 2]" 1
130 1 11 GLU HA 1 88 LEU MD1 . . 4.530 4.541 4.297 4.594 0.064 4 0 "[ . 1 . 2]" 1
131 1 11 GLU HA 1 88 LEU HG . . 4.650 4.246 3.626 4.667 0.017 17 0 "[ . 1 . 2]" 1
132 1 11 GLU QB 1 85 VAL MG1 . . 4.240 2.307 2.048 2.675 . 0 0 "[ . 1 . 2]" 1
133 1 11 GLU QG 1 12 LEU H . . 4.140 4.302 4.125 4.463 0.323 6 0 "[ . 1 . 2]" 1
134 1 11 GLU QG 1 85 VAL MG1 . . 3.500 3.407 2.983 3.587 0.087 12 0 "[ . 1 . 2]" 1
135 1 12 LEU H 1 12 LEU QD . . 4.070 3.636 3.510 3.674 . 0 0 "[ . 1 . 2]" 1
136 1 12 LEU H 1 85 VAL MG1 . . 4.120 3.607 3.116 4.084 . 0 0 "[ . 1 . 2]" 1
137 1 12 LEU H 1 85 VAL MG2 . . 5.490 5.625 5.297 5.933 0.443 9 0 "[ . 1 . 2]" 1
138 1 12 LEU H 1 86 VAL MG1 . . 5.000 4.541 4.286 5.018 0.018 6 0 "[ . 1 . 2]" 1
139 1 12 LEU HA 1 12 LEU QD . . 3.330 1.954 1.919 1.983 . 0 0 "[ . 1 . 2]" 1
140 1 12 LEU HA 1 13 ALA H . . 2.990 2.182 2.107 2.217 . 0 0 "[ . 1 . 2]" 1
141 1 12 LEU HA 1 13 ALA HA . . 4.580 4.367 4.304 4.394 . 0 0 "[ . 1 . 2]" 1
142 1 12 LEU HA 1 13 ALA MB . . 4.090 4.097 4.041 4.128 0.038 19 0 "[ . 1 . 2]" 1
143 1 12 LEU QB 1 12 LEU QD . . 2.760 2.068 2.046 2.101 . 0 0 "[ . 1 . 2]" 1
144 1 12 LEU QB 1 13 ALA H . . 4.160 3.812 3.474 3.869 . 0 0 "[ . 1 . 2]" 1
145 1 12 LEU QB 1 19 LEU QD . . 3.690 5.174 2.306 6.714 3.024 8 15 "[**-*.**+** ***. ***]" 1
146 1 12 LEU QB 1 86 VAL HB . . 3.970 2.999 2.483 4.025 0.055 6 0 "[ . 1 . 2]" 1
147 1 12 LEU QD 1 13 ALA H . . 3.920 2.365 2.218 2.494 . 0 0 "[ . 1 . 2]" 1
148 1 12 LEU QD 1 13 ALA HA . . 4.440 3.858 3.519 4.410 . 0 0 "[ . 1 . 2]" 1
149 1 12 LEU QD 1 46 ALA H . . 4.940 4.345 3.961 4.835 . 0 0 "[ . 1 . 2]" 1
150 1 12 LEU QD 1 46 ALA MB . . 3.000 1.978 1.824 2.180 . 0 0 "[ . 1 . 2]" 1
151 1 12 LEU QD 1 47 ALA H . . 4.060 3.285 2.943 3.679 . 0 0 "[ . 1 . 2]" 1
152 1 12 LEU QD 1 47 ALA HA . . 3.300 2.072 1.932 2.298 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU QD 1 50 ASP HB2 . . 3.580 2.314 2.108 2.671 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU QD 1 50 ASP HB3 . . 3.710 2.293 2.135 2.594 . 0 0 "[ . 1 . 2]" 1
155 1 13 ALA H 1 13 ALA MB . . 2.820 2.372 2.324 2.469 . 0 0 "[ . 1 . 2]" 1
156 1 13 ALA H 1 46 ALA MB . . 4.860 4.392 3.934 5.012 0.152 19 0 "[ . 1 . 2]" 1
157 1 13 ALA HA 1 14 LYS H . . 3.120 2.196 2.143 2.251 . 0 0 "[ . 1 . 2]" 1
158 1 13 ALA HA 1 14 LYS QB . . 4.500 4.345 3.956 4.605 0.105 8 0 "[ . 1 . 2]" 1
159 1 13 ALA HA 1 85 VAL HA . . 3.400 2.439 2.115 2.603 . 0 0 "[ . 1 . 2]" 1
160 1 13 ALA HA 1 85 VAL MG1 . . 4.080 3.356 2.677 3.689 . 0 0 "[ . 1 . 2]" 1
161 1 13 ALA HA 1 85 VAL MG2 . . 3.440 2.897 2.497 3.152 . 0 0 "[ . 1 . 2]" 1
162 1 13 ALA MB 1 85 VAL MG2 . . 2.920 2.767 2.001 2.966 0.046 17 0 "[ . 1 . 2]" 1
163 1 13 ALA MB 1 86 VAL H . . 4.820 4.971 4.480 5.139 0.319 19 0 "[ . 1 . 2]" 1
164 1 14 LYS H 1 14 LYS QB . . 3.450 2.414 2.167 2.681 . 0 0 "[ . 1 . 2]" 1
165 1 14 LYS H 1 14 LYS QE . . 4.940 4.540 2.423 5.626 0.686 15 1 "[ . 1 + 2]" 1
166 1 14 LYS H 1 14 LYS QG . . 3.880 3.324 2.249 4.145 0.265 15 0 "[ . 1 . 2]" 1
167 1 14 LYS H 1 84 GLN HA . . 4.320 3.444 3.073 3.930 . 0 0 "[ . 1 . 2]" 1
168 1 14 LYS H 1 84 GLN QG . . 4.990 3.407 2.312 5.021 0.031 15 0 "[ . 1 . 2]" 1
169 1 14 LYS H 1 85 VAL HA . . 4.000 3.509 2.915 3.961 . 0 0 "[ . 1 . 2]" 1
170 1 14 LYS H 1 85 VAL MG2 . . 4.390 3.869 3.192 4.140 . 0 0 "[ . 1 . 2]" 1
171 1 14 LYS HA 1 14 LYS QG . . 3.820 2.661 2.211 3.183 . 0 0 "[ . 1 . 2]" 1
172 1 14 LYS HA 1 15 ASN H . . 3.370 2.897 2.596 3.512 0.142 15 0 "[ . 1 . 2]" 1
173 1 14 LYS HA 1 19 LEU HA . . 4.970 4.338 3.570 5.009 0.039 15 0 "[ . 1 . 2]" 1
174 1 14 LYS HA 1 19 LEU QD . . 3.960 4.220 3.536 4.928 0.968 4 7 "[ +.- * 1 * ** *]" 1
175 1 14 LYS HA 1 46 ALA MB . . 3.530 2.477 1.885 2.923 . 0 0 "[ . 1 . 2]" 1
176 1 14 LYS QG 1 84 GLN QB . . 4.310 4.992 4.050 6.992 2.682 19 12 "[ **.** *1 **** -*+2]" 1
177 1 15 ASN H 1 46 ALA MB . . 4.520 4.037 3.460 4.568 0.048 15 0 "[ . 1 . 2]" 1
178 1 15 ASN QB 1 46 ALA MB . . 5.340 5.124 4.482 5.440 0.100 15 0 "[ . 1 . 2]" 1
179 1 16 ASP QB 1 18 SER H . . 4.540 4.400 2.519 6.862 2.322 8 9 "[* . *+ 1-* ** **]" 1
180 1 17 ASN H 1 18 SER H . . 4.220 2.916 1.652 4.337 0.117 7 0 "[ . 1 . 2]" 1
181 1 18 SER H 1 18 SER QB . . 3.580 2.588 2.286 2.919 . 0 0 "[ . 1 . 2]" 1
182 1 19 LEU HA 1 19 LEU QD . . 3.350 2.397 2.085 3.315 . 0 0 "[ . 1 . 2]" 1
183 1 19 LEU HA 1 20 GLY QA . . 5.330 4.393 4.246 4.565 . 0 0 "[ . 1 . 2]" 1
184 1 19 LEU HA 1 46 ALA MB . . 3.630 2.579 1.946 3.468 . 0 0 "[ . 1 . 2]" 1
185 1 19 LEU QB 1 21 ILE H . . 4.080 2.943 2.439 3.645 . 0 0 "[ . 1 . 2]" 1
186 1 19 LEU QD 1 46 ALA MB . . 3.550 3.592 2.368 4.547 0.997 4 5 "[ +.* * 1 - . *]" 1
187 1 19 LEU QD 1 47 ALA MB . . 4.020 5.605 3.405 6.852 2.832 8 16 "[****.**+** ***- ***]" 1
188 1 20 GLY H 1 21 ILE H . . 3.840 2.757 2.150 3.278 . 0 0 "[ . 1 . 2]" 1
189 1 20 GLY H 1 21 ILE QG . . 4.780 3.967 3.429 4.813 0.033 4 0 "[ . 1 . 2]" 1
190 1 20 GLY QA 1 41 VAL MG1 . . 4.220 4.258 3.678 5.096 0.876 15 1 "[ . 1 + 2]" 1
191 1 20 GLY QA 1 42 ILE H . . 4.030 3.100 2.860 3.691 . 0 0 "[ . 1 . 2]" 1
192 1 20 GLY QA 1 42 ILE HB . . 3.740 2.512 1.959 3.181 . 0 0 "[ . 1 . 2]" 1
193 1 20 GLY QA 1 42 ILE MD . . 3.200 2.286 1.932 2.830 . 0 0 "[ . 1 . 2]" 1
194 1 20 GLY QA 1 42 ILE QG . . 3.820 2.170 1.759 3.421 . 0 0 "[ . 1 . 2]" 1
195 1 20 GLY QA 1 42 ILE MG . . 4.560 3.566 3.239 3.906 . 0 0 "[ . 1 . 2]" 1
196 1 20 GLY HA2 1 42 ILE H . . 4.750 3.840 3.054 4.366 . 0 0 "[ . 1 . 2]" 1
197 1 20 GLY HA2 1 42 ILE HB . . 4.250 3.587 1.977 4.328 0.078 20 0 "[ . 1 . 2]" 1
198 1 20 GLY HA2 1 42 ILE MD . . 3.870 2.422 1.957 3.005 . 0 0 "[ . 1 . 2]" 1
199 1 20 GLY HA3 1 42 ILE H . . 4.750 3.323 2.959 4.112 . 0 0 "[ . 1 . 2]" 1
200 1 20 GLY HA3 1 42 ILE HB . . 4.250 2.666 1.971 3.735 . 0 0 "[ . 1 . 2]" 1
201 1 20 GLY HA3 1 42 ILE MD . . 3.870 2.938 2.167 3.842 . 0 0 "[ . 1 . 2]" 1
202 1 21 ILE HA 1 21 ILE MG . . 3.510 2.326 2.125 2.418 . 0 0 "[ . 1 . 2]" 1
203 1 21 ILE HA 1 22 CYS H . . 3.350 2.387 2.264 2.513 . 0 0 "[ . 1 . 2]" 1
204 1 21 ILE HA 1 41 VAL HA . . 4.000 2.760 2.452 3.052 . 0 0 "[ . 1 . 2]" 1
205 1 21 ILE HB 1 21 ILE MD . . 3.330 2.592 2.409 3.140 . 0 0 "[ . 1 . 2]" 1
206 1 21 ILE HB 1 22 CYS H . . 4.300 3.591 2.746 3.834 . 0 0 "[ . 1 . 2]" 1
207 1 21 ILE MD 1 21 ILE MG . . 2.580 2.010 1.894 2.066 . 0 0 "[ . 1 . 2]" 1
208 1 21 ILE MD 1 47 ALA MB . . 3.200 2.146 1.858 2.419 . 0 0 "[ . 1 . 2]" 1
209 1 21 ILE QG 1 22 CYS H . . 4.690 4.338 4.161 4.600 . 0 0 "[ . 1 . 2]" 1
210 1 21 ILE MG 1 22 CYS H . . 4.510 2.076 1.845 2.553 . 0 0 "[ . 1 . 2]" 1
211 1 21 ILE MG 1 22 CYS HA . . 4.620 3.476 3.265 4.455 . 0 0 "[ . 1 . 2]" 1
212 1 21 ILE MG 1 40 ALA H . . 4.700 3.961 3.570 4.392 . 0 0 "[ . 1 . 2]" 1
213 1 21 ILE MG 1 41 VAL HA . . 4.160 3.875 3.424 4.240 0.080 4 0 "[ . 1 . 2]" 1
214 1 21 ILE MG 1 47 ALA MB . . 3.780 3.105 2.208 3.810 0.030 4 0 "[ . 1 . 2]" 1
215 1 22 CYS H 1 22 CYS QB . . 3.550 2.913 2.802 3.009 . 0 0 "[ . 1 . 2]" 1
216 1 22 CYS H 1 23 VAL HA . . 5.260 4.374 4.218 4.457 . 0 0 "[ . 1 . 2]" 1
217 1 22 CYS H 1 38 VAL MG1 . . 3.960 2.960 2.580 3.237 . 0 0 "[ . 1 . 2]" 1
218 1 22 CYS H 1 40 ALA H . . 3.900 2.860 2.663 3.333 . 0 0 "[ . 1 . 2]" 1
219 1 22 CYS H 1 40 ALA MB . . 4.100 3.637 2.904 4.131 0.031 2 0 "[ . 1 . 2]" 1
220 1 22 CYS HA 1 23 VAL H . . 3.510 2.626 2.487 2.733 . 0 0 "[ . 1 . 2]" 1
221 1 22 CYS HA 1 23 VAL MG2 . . 4.770 2.858 2.682 3.164 . 0 0 "[ . 1 . 2]" 1
222 1 22 CYS QB 1 23 VAL HA . . 4.330 4.109 3.957 4.362 0.032 8 0 "[ . 1 . 2]" 1
223 1 22 CYS QB 1 23 VAL MG2 . . 4.250 3.927 3.652 4.498 0.248 9 0 "[ . 1 . 2]" 1
224 1 22 CYS QB 1 39 LYS HB3 . . 5.140 2.587 2.124 3.276 . 0 0 "[ . 1 . 2]" 1
225 1 22 CYS QB 1 40 ALA H . . 5.230 2.934 2.243 3.287 . 0 0 "[ . 1 . 2]" 1
226 1 23 VAL H 1 23 VAL MG1 . . 3.970 3.384 3.223 3.462 . 0 0 "[ . 1 . 2]" 1
227 1 23 VAL H 1 23 VAL MG2 . . 3.390 2.134 2.059 2.188 . 0 0 "[ . 1 . 2]" 1
228 1 23 VAL H 1 24 THR HA . . 5.500 4.524 4.373 4.920 . 0 0 "[ . 1 . 2]" 1
229 1 23 VAL HA 1 23 VAL MG1 . . 3.270 2.278 2.236 2.297 . 0 0 "[ . 1 . 2]" 1
230 1 23 VAL HA 1 24 THR H . . 3.450 2.380 2.216 2.467 . 0 0 "[ . 1 . 2]" 1
231 1 23 VAL HA 1 24 THR MG . . 4.290 3.467 3.327 3.586 . 0 0 "[ . 1 . 2]" 1
232 1 23 VAL HA 1 36 ILE MG . . 4.360 3.909 3.732 4.111 . 0 0 "[ . 1 . 2]" 1
233 1 23 VAL HA 1 38 VAL HA . . 3.860 2.501 2.330 2.765 . 0 0 "[ . 1 . 2]" 1
234 1 23 VAL HA 1 38 VAL MG1 . . 4.660 3.950 3.659 4.159 . 0 0 "[ . 1 . 2]" 1
235 1 23 VAL HA 1 39 LYS H . . 3.700 2.394 2.291 2.543 . 0 0 "[ . 1 . 2]" 1
236 1 23 VAL HA 1 39 LYS HB2 . . 4.700 2.718 2.364 3.210 . 0 0 "[ . 1 . 2]" 1
237 1 23 VAL HB 1 24 THR H . . 3.880 2.298 2.196 2.410 . 0 0 "[ . 1 . 2]" 1
238 1 23 VAL HB 1 24 THR MG . . 5.120 4.355 4.239 4.495 . 0 0 "[ . 1 . 2]" 1
239 1 23 VAL HB 1 36 ILE QG . . 5.340 5.047 4.777 5.370 0.030 12 0 "[ . 1 . 2]" 1
240 1 23 VAL HB 1 75 ALA HA . . 5.500 5.550 5.516 5.584 0.084 6 0 "[ . 1 . 2]" 1
241 1 23 VAL MG1 1 38 VAL HA . . 3.470 2.061 1.959 2.292 . 0 0 "[ . 1 . 2]" 1
242 1 23 VAL MG1 1 76 VAL HA . . 4.570 4.341 4.166 4.564 . 0 0 "[ . 1 . 2]" 1
243 1 23 VAL MG1 1 76 VAL MG1 . . 5.100 5.012 4.738 5.262 0.162 4 0 "[ . 1 . 2]" 1
244 1 23 VAL MG2 1 24 THR MG . . 5.500 5.005 4.923 5.068 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL MG2 1 36 ILE QG . . 5.340 5.023 4.689 5.361 0.021 4 0 "[ . 1 . 2]" 1
246 1 23 VAL MG2 1 75 ALA MB . . 2.820 1.865 1.801 1.930 . 0 0 "[ . 1 . 2]" 1
247 1 23 VAL MG2 1 76 VAL HA . . 4.210 2.377 2.064 2.674 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL MG2 1 76 VAL MG2 . . 2.840 1.969 1.818 2.075 . 0 0 "[ . 1 . 2]" 1
249 1 24 THR H 1 24 THR MG . . 3.330 2.374 2.253 2.510 . 0 0 "[ . 1 . 2]" 1
250 1 24 THR H 1 36 ILE HA . . 3.840 3.919 3.734 4.115 0.275 6 0 "[ . 1 . 2]" 1
251 1 24 THR H 1 36 ILE MG . . 3.900 3.027 2.740 3.270 . 0 0 "[ . 1 . 2]" 1
252 1 24 THR H 1 37 TYR H . . 3.890 2.875 2.426 3.331 . 0 0 "[ . 1 . 2]" 1
253 1 24 THR H 1 37 TYR QB . . 5.060 3.829 3.668 3.962 . 0 0 "[ . 1 . 2]" 1
254 1 24 THR H 1 38 VAL HA . . 4.700 4.011 3.829 4.179 . 0 0 "[ . 1 . 2]" 1
255 1 24 THR H 1 75 ALA MB . . 4.790 4.336 4.192 4.461 . 0 0 "[ . 1 . 2]" 1
256 1 24 THR HA 1 25 GLY H . . 3.270 2.504 2.380 2.611 . 0 0 "[ . 1 . 2]" 1
257 1 24 THR HA 1 39 LYS QE . . 4.720 5.655 3.165 6.691 1.971 16 17 "[*** .*****- ***+****]" 1
258 1 24 THR HB 1 39 LYS HB2 . . 3.580 2.619 2.199 2.977 . 0 0 "[ . 1 . 2]" 1
259 1 24 THR HB 1 39 LYS HB3 . . 5.400 4.036 3.524 4.412 . 0 0 "[ . 1 . 2]" 1
260 1 24 THR HB 1 39 LYS QD . . 4.080 2.398 1.965 3.729 . 0 0 "[ . 1 . 2]" 1
261 1 24 THR HB 1 39 LYS QG . . 4.520 3.080 1.864 3.743 . 0 0 "[ . 1 . 2]" 1
262 1 24 THR MG 1 25 GLY H . . 4.470 3.298 3.149 3.470 . 0 0 "[ . 1 . 2]" 1
263 1 24 THR MG 1 36 ILE HA . . 4.260 4.268 4.158 4.305 0.045 15 0 "[ . 1 . 2]" 1
264 1 24 THR MG 1 37 TYR H . . 4.230 2.760 2.679 2.848 . 0 0 "[ . 1 . 2]" 1
265 1 24 THR MG 1 37 TYR HB2 . . 4.320 2.217 2.036 2.414 . 0 0 "[ . 1 . 2]" 1
266 1 24 THR MG 1 37 TYR QB . . 3.630 2.189 2.014 2.381 . 0 0 "[ . 1 . 2]" 1
267 1 24 THR MG 1 37 TYR HB3 . . 4.320 3.391 3.135 3.641 . 0 0 "[ . 1 . 2]" 1
268 1 24 THR MG 1 37 TYR QD . . 4.040 3.286 2.858 3.654 . 0 0 "[ . 1 . 2]" 1
269 1 24 THR MG 1 39 LYS HA . . 4.150 3.214 2.835 3.759 . 0 0 "[ . 1 . 2]" 1
270 1 24 THR MG 1 39 LYS HB2 . . 3.640 2.590 2.349 2.902 . 0 0 "[ . 1 . 2]" 1
271 1 25 GLY H 1 29 THR MG . . 4.230 2.605 1.768 3.915 . 0 0 "[ . 1 . 2]" 1
272 1 25 GLY QA 1 29 THR MG . . 3.820 2.565 1.838 3.832 0.012 19 0 "[ . 1 . 2]" 1
273 1 25 GLY QA 1 31 VAL MG1 . . 4.640 3.995 3.583 4.480 . 0 0 "[ . 1 . 2]" 1
274 1 25 GLY QA 1 31 VAL MG2 . . 3.380 2.261 1.961 3.253 . 0 0 "[ . 1 . 2]" 1
275 1 25 GLY QA 1 36 ILE HA . . 5.100 2.398 2.046 2.895 . 0 0 "[ . 1 . 2]" 1
276 1 25 GLY QA 1 36 ILE MD . . 4.540 2.910 2.260 4.102 . 0 0 "[ . 1 . 2]" 1
277 1 25 GLY HA2 1 31 VAL MG1 . . 5.340 4.372 3.826 5.372 0.032 17 0 "[ . 1 . 2]" 1
278 1 25 GLY HA2 1 31 VAL MG2 . . 4.020 2.445 2.017 4.092 0.072 17 0 "[ . 1 . 2]" 1
279 1 25 GLY HA3 1 31 VAL MG1 . . 5.340 4.730 4.005 5.208 . 0 0 "[ . 1 . 2]" 1
280 1 25 GLY HA3 1 31 VAL MG2 . . 4.020 2.920 2.281 3.414 . 0 0 "[ . 1 . 2]" 1
281 1 26 GLY H 1 31 VAL MG2 . . 4.770 3.711 3.194 4.672 . 0 0 "[ . 1 . 2]" 1
282 1 26 GLY H 1 36 ILE HA . . 5.500 4.385 3.764 5.052 . 0 0 "[ . 1 . 2]" 1
283 1 26 GLY H 1 36 ILE MD . . 4.520 3.185 2.644 4.195 . 0 0 "[ . 1 . 2]" 1
284 1 26 GLY QA 1 36 ILE MD . . 4.020 2.330 1.972 2.635 . 0 0 "[ . 1 . 2]" 1
285 1 27 VAL H 1 27 VAL HB . . 3.880 3.487 3.413 3.592 . 0 0 "[ . 1 . 2]" 1
286 1 27 VAL H 1 27 VAL MG1 . . 3.410 2.105 1.902 2.282 . 0 0 "[ . 1 . 2]" 1
287 1 27 VAL H 1 27 VAL MG2 . . 3.420 1.844 1.732 2.020 . 0 0 "[ . 1 . 2]" 1
288 1 27 VAL H 1 28 ASN H . . 4.500 3.278 3.108 3.489 . 0 0 "[ . 1 . 2]" 1
289 1 27 VAL H 1 71 THR HA . . 3.720 2.854 2.497 3.127 . 0 0 "[ . 1 . 2]" 1
290 1 27 VAL HA 1 27 VAL MG1 . . 3.210 2.249 2.180 2.283 . 0 0 "[ . 1 . 2]" 1
291 1 27 VAL HA 1 27 VAL MG2 . . 3.340 3.239 3.214 3.254 . 0 0 "[ . 1 . 2]" 1
292 1 27 VAL MG1 1 28 ASN H . . 4.380 4.406 4.376 4.431 0.051 17 0 "[ . 1 . 2]" 1
293 1 27 VAL MG1 1 71 THR HA . . 3.670 2.407 1.969 3.015 . 0 0 "[ . 1 . 2]" 1
294 1 27 VAL MG1 1 71 THR MG . . 3.300 2.046 1.879 2.354 . 0 0 "[ . 1 . 2]" 1
295 1 27 VAL MG2 1 28 ASN H . . 4.310 3.591 3.490 3.693 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL MG2 1 71 THR HA . . 3.690 3.283 2.536 3.560 . 0 0 "[ . 1 . 2]" 1
297 1 27 VAL MG2 1 71 THR MG . . 3.170 2.796 2.298 3.182 0.012 20 0 "[ . 1 . 2]" 1
298 1 28 ASN H 1 29 THR H . . 4.420 2.300 2.169 2.390 . 0 0 "[ . 1 . 2]" 1
299 1 29 THR H 1 29 THR MG . . 4.300 2.809 1.680 3.921 . 0 0 "[ . 1 . 2]" 1
300 1 29 THR HA 1 29 THR MG . . 3.310 2.859 2.213 3.255 . 0 0 "[ . 1 . 2]" 1
301 1 29 THR MG 1 30 SER HA . . 4.210 4.122 3.861 4.286 0.076 12 0 "[ . 1 . 2]" 1
302 1 30 SER QB 1 31 VAL MG1 . . 3.960 3.127 2.748 3.497 . 0 0 "[ . 1 . 2]" 1
303 1 31 VAL H 1 31 VAL HB . . 4.180 3.632 3.548 3.711 . 0 0 "[ . 1 . 2]" 1
304 1 31 VAL H 1 31 VAL MG1 . . 3.630 2.617 2.452 2.744 . 0 0 "[ . 1 . 2]" 1
305 1 31 VAL H 1 31 VAL MG2 . . 3.450 1.841 1.705 2.065 . 0 0 "[ . 1 . 2]" 1
306 1 31 VAL HA 1 31 VAL MG1 . . 3.070 2.250 2.214 2.297 . 0 0 "[ . 1 . 2]" 1
307 1 31 VAL HA 1 31 VAL MG2 . . 3.730 3.245 3.228 3.268 . 0 0 "[ . 1 . 2]" 1
308 1 31 VAL HB 1 32 ARG H . . 4.590 3.154 2.834 3.366 . 0 0 "[ . 1 . 2]" 1
309 1 31 VAL HB 1 37 TYR QE . . 4.560 2.557 2.157 3.123 . 0 0 "[ . 1 . 2]" 1
310 1 31 VAL MG1 1 37 TYR QB . . 4.970 3.276 2.198 3.998 . 0 0 "[ . 1 . 2]" 1
311 1 31 VAL MG1 1 37 TYR QD . . 3.990 2.626 2.267 3.082 . 0 0 "[ . 1 . 2]" 1
312 1 31 VAL MG1 1 37 TYR QE . . 4.230 3.117 2.293 4.052 . 0 0 "[ . 1 . 2]" 1
313 1 31 VAL MG2 1 34 GLY H . . 4.440 2.646 2.436 3.035 . 0 0 "[ . 1 . 2]" 1
314 1 31 VAL MG2 1 35 GLY H . . 4.190 2.894 1.985 3.494 . 0 0 "[ . 1 . 2]" 1
315 1 31 VAL MG2 1 37 TYR QD . . 4.030 2.244 2.006 2.522 . 0 0 "[ . 1 . 2]" 1
316 1 31 VAL MG2 1 37 TYR QE . . 4.330 2.685 2.014 3.436 . 0 0 "[ . 1 . 2]" 1
317 1 32 ARG HA 1 32 ARG QG . . 3.690 2.485 2.328 2.938 . 0 0 "[ . 1 . 2]" 1
318 1 34 GLY H 1 35 GLY H . . 4.230 2.739 2.494 2.945 . 0 0 "[ . 1 . 2]" 1
319 1 35 GLY H 1 37 TYR QE . . 4.260 2.927 2.303 3.627 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE H 1 36 ILE HB . . 3.720 2.515 2.336 2.656 . 0 0 "[ . 1 . 2]" 1
321 1 36 ILE H 1 36 ILE MD . . 4.590 3.315 2.840 4.011 . 0 0 "[ . 1 . 2]" 1
322 1 36 ILE H 1 36 ILE QG . . 3.990 2.169 2.006 2.438 . 0 0 "[ . 1 . 2]" 1
323 1 36 ILE H 1 36 ILE MG . . 4.420 3.760 3.694 3.801 . 0 0 "[ . 1 . 2]" 1
324 1 36 ILE H 1 37 TYR H . . 5.000 4.284 4.041 4.503 . 0 0 "[ . 1 . 2]" 1
325 1 36 ILE HA 1 36 ILE MD . . 3.290 2.405 2.171 3.054 . 0 0 "[ . 1 . 2]" 1
326 1 36 ILE HA 1 36 ILE MG . . 3.410 2.353 2.279 2.445 . 0 0 "[ . 1 . 2]" 1
327 1 36 ILE HA 1 37 TYR H . . 3.410 2.297 2.229 2.366 . 0 0 "[ . 1 . 2]" 1
328 1 36 ILE HA 1 37 TYR QD . . 4.640 3.919 3.222 4.459 . 0 0 "[ . 1 . 2]" 1
329 1 36 ILE HB 1 59 VAL H . . 4.570 3.053 2.749 3.269 . 0 0 "[ . 1 . 2]" 1
330 1 36 ILE HB 1 59 VAL MG2 . . 4.360 3.749 3.408 3.971 . 0 0 "[ . 1 . 2]" 1
331 1 36 ILE MD 1 72 HIS HA . . 4.340 3.447 3.224 3.629 . 0 0 "[ . 1 . 2]" 1
332 1 36 ILE MD 1 75 ALA H . . 5.070 4.255 3.779 4.584 . 0 0 "[ . 1 . 2]" 1
333 1 36 ILE MD 1 75 ALA MB . . 2.960 2.237 1.846 2.899 . 0 0 "[ . 1 . 2]" 1
334 1 36 ILE QG 1 36 ILE MG . . 3.280 2.416 2.343 2.622 . 0 0 "[ . 1 . 2]" 1
335 1 36 ILE QG 1 67 LEU QB . . 4.410 2.229 1.988 3.136 . 0 0 "[ . 1 . 2]" 1
336 1 36 ILE QG 1 67 LEU MD1 . . 4.480 3.350 2.308 3.844 . 0 0 "[ . 1 . 2]" 1
337 1 36 ILE QG 1 75 ALA MB . . 3.900 3.258 2.796 3.657 . 0 0 "[ . 1 . 2]" 1
338 1 36 ILE MG 1 37 TYR H . . 4.310 3.153 2.597 3.541 . 0 0 "[ . 1 . 2]" 1
339 1 36 ILE MG 1 59 VAL H . . 4.490 3.667 3.373 4.017 . 0 0 "[ . 1 . 2]" 1
340 1 36 ILE MG 1 59 VAL HB . . 3.290 2.884 2.715 3.193 . 0 0 "[ . 1 . 2]" 1
341 1 36 ILE MG 1 75 ALA MB . . 3.300 1.991 1.817 2.351 . 0 0 "[ . 1 . 2]" 1
342 1 37 TYR H 1 37 TYR QB . . 3.630 2.529 2.417 2.681 . 0 0 "[ . 1 . 2]" 1
343 1 37 TYR H 1 37 TYR QD . . 4.070 2.680 2.201 3.147 . 0 0 "[ . 1 . 2]" 1
344 1 37 TYR HA 1 37 TYR QD . . 3.950 2.990 2.592 3.198 . 0 0 "[ . 1 . 2]" 1
345 1 37 TYR HA 1 38 VAL H . . 3.420 2.237 2.182 2.312 . 0 0 "[ . 1 . 2]" 1
346 1 37 TYR HA 1 38 VAL MG2 . . 4.220 3.576 3.456 3.713 . 0 0 "[ . 1 . 2]" 1
347 1 37 TYR HA 1 58 ARG HA . . 3.520 2.139 1.973 2.454 . 0 0 "[ . 1 . 2]" 1
348 1 37 TYR HA 1 59 VAL H . . 4.220 3.071 2.744 3.393 . 0 0 "[ . 1 . 2]" 1
349 1 37 TYR HA 1 59 VAL MG2 . . 5.030 3.743 3.331 4.065 . 0 0 "[ . 1 . 2]" 1
350 1 37 TYR QB 1 38 VAL H . . 4.460 2.908 2.846 3.022 . 0 0 "[ . 1 . 2]" 1
351 1 37 TYR QD 1 38 VAL H . . 5.170 3.841 3.189 4.288 . 0 0 "[ . 1 . 2]" 1
352 1 37 TYR QD 1 58 ARG QB . . 4.460 3.072 2.429 4.009 . 0 0 "[ . 1 . 2]" 1
353 1 37 TYR QE 1 58 ARG QB . . 3.960 2.796 2.252 3.333 . 0 0 "[ . 1 . 2]" 1
354 1 38 VAL H 1 38 VAL HB . . 3.580 2.476 2.305 2.607 . 0 0 "[ . 1 . 2]" 1
355 1 38 VAL H 1 38 VAL MG2 . . 3.400 2.001 1.919 2.131 . 0 0 "[ . 1 . 2]" 1
356 1 38 VAL H 1 56 GLY H . . 4.320 3.700 3.270 4.357 0.037 9 0 "[ . 1 . 2]" 1
357 1 38 VAL H 1 57 ASP QB . . 4.920 3.839 3.453 4.267 . 0 0 "[ . 1 . 2]" 1
358 1 38 VAL HA 1 38 VAL MG1 . . 3.370 2.385 2.332 2.456 . 0 0 "[ . 1 . 2]" 1
359 1 38 VAL HA 1 38 VAL MG2 . . 3.340 2.403 2.355 2.432 . 0 0 "[ . 1 . 2]" 1
360 1 38 VAL HA 1 39 LYS H . . 3.410 2.243 2.200 2.286 . 0 0 "[ . 1 . 2]" 1
361 1 38 VAL HA 1 40 ALA H . . 4.400 3.962 3.770 4.122 . 0 0 "[ . 1 . 2]" 1
362 1 38 VAL HB 1 55 LYS HA . . 3.880 2.536 2.151 3.164 . 0 0 "[ . 1 . 2]" 1
363 1 38 VAL HB 1 56 GLY H . . 3.940 2.594 2.044 3.004 . 0 0 "[ . 1 . 2]" 1
364 1 38 VAL HB 1 57 ASP H . . 3.830 2.585 2.181 3.048 . 0 0 "[ . 1 . 2]" 1
365 1 38 VAL MG1 1 39 LYS H . . 4.320 2.496 2.346 2.643 . 0 0 "[ . 1 . 2]" 1
366 1 38 VAL MG1 1 40 ALA H . . 3.630 2.688 2.442 2.919 . 0 0 "[ . 1 . 2]" 1
367 1 38 VAL MG1 1 55 LYS H . . 4.570 4.045 3.738 4.304 . 0 0 "[ . 1 . 2]" 1
368 1 38 VAL MG1 1 55 LYS HA . . 3.170 2.337 2.103 2.779 . 0 0 "[ . 1 . 2]" 1
369 1 38 VAL MG1 1 55 LYS QB . . 3.850 3.492 2.883 3.947 0.097 12 0 "[ . 1 . 2]" 1
370 1 38 VAL MG1 1 56 GLY H . . 4.290 3.559 2.775 4.050 . 0 0 "[ . 1 . 2]" 1
371 1 38 VAL MG1 1 57 ASP QB . . 5.120 3.850 3.571 4.351 . 0 0 "[ . 1 . 2]" 1
372 1 38 VAL MG2 1 57 ASP H . . 3.890 3.334 2.910 3.710 . 0 0 "[ . 1 . 2]" 1
373 1 38 VAL MG2 1 57 ASP HB2 . . 4.100 2.662 2.146 3.815 . 0 0 "[ . 1 . 2]" 1
374 1 38 VAL MG2 1 57 ASP QB . . 3.460 2.345 2.068 2.682 . 0 0 "[ . 1 . 2]" 1
375 1 38 VAL MG2 1 57 ASP HB3 . . 4.100 2.923 2.345 3.260 . 0 0 "[ . 1 . 2]" 1
376 1 39 LYS H 1 39 LYS HB3 . . 4.070 2.524 2.386 2.741 . 0 0 "[ . 1 . 2]" 1
377 1 39 LYS H 1 39 LYS QG . . 4.960 4.036 3.973 4.105 . 0 0 "[ . 1 . 2]" 1
378 1 39 LYS H 1 40 ALA H . . 3.360 1.948 1.816 2.015 . 0 0 "[ . 1 . 2]" 1
379 1 39 LYS HA 1 39 LYS QG . . 3.600 2.572 2.298 3.140 . 0 0 "[ . 1 . 2]" 1
380 1 39 LYS HB2 1 40 ALA H . . 4.490 3.748 3.539 3.904 . 0 0 "[ . 1 . 2]" 1
381 1 39 LYS HB3 1 39 LYS QD . . 3.380 2.720 2.281 3.452 0.072 7 0 "[ . 1 . 2]" 1
382 1 39 LYS HB3 1 39 LYS QE . . 3.960 3.412 2.169 4.016 0.056 8 0 "[ . 1 . 2]" 1
383 1 39 LYS HB3 1 40 ALA H . . 4.470 2.537 2.345 2.962 . 0 0 "[ . 1 . 2]" 1
384 1 40 ALA H 1 40 ALA MB . . 3.650 2.728 2.599 2.824 . 0 0 "[ . 1 . 2]" 1
385 1 40 ALA HA 1 41 VAL H . . 3.030 2.223 2.142 2.364 . 0 0 "[ . 1 . 2]" 1
386 1 40 ALA MB 1 41 VAL H . . 3.440 2.719 2.429 3.117 . 0 0 "[ . 1 . 2]" 1
387 1 40 ALA MB 1 41 VAL HA . . 4.300 3.813 3.702 3.923 . 0 0 "[ . 1 . 2]" 1
388 1 41 VAL H 1 41 VAL HB . . 3.690 2.796 2.528 2.958 . 0 0 "[ . 1 . 2]" 1
389 1 41 VAL H 1 41 VAL MG2 . . 3.770 2.823 2.666 3.005 . 0 0 "[ . 1 . 2]" 1
390 1 41 VAL HA 1 41 VAL MG1 . . 3.390 2.325 2.266 2.379 . 0 0 "[ . 1 . 2]" 1
391 1 41 VAL HA 1 41 VAL MG2 . . 3.540 2.469 2.412 2.521 . 0 0 "[ . 1 . 2]" 1
392 1 41 VAL HA 1 42 ILE H . . 3.320 2.143 2.095 2.223 . 0 0 "[ . 1 . 2]" 1
393 1 41 VAL HB 1 47 ALA MB . . 4.990 4.457 4.108 4.826 . 0 0 "[ . 1 . 2]" 1
394 1 41 VAL MG1 1 42 ILE H . . 4.040 2.656 2.386 2.963 . 0 0 "[ . 1 . 2]" 1
395 1 41 VAL MG1 1 42 ILE HA . . 4.640 4.185 4.063 4.343 . 0 0 "[ . 1 . 2]" 1
396 1 41 VAL MG1 1 47 ALA MB . . 2.510 1.965 1.823 2.120 . 0 0 "[ . 1 . 2]" 1
397 1 41 VAL MG1 1 48 GLU H . . 3.930 2.521 2.169 2.877 . 0 0 "[ . 1 . 2]" 1
398 1 41 VAL MG1 1 48 GLU HA . . 3.930 3.086 2.555 3.461 . 0 0 "[ . 1 . 2]" 1
399 1 41 VAL MG1 1 48 GLU HB2 . . 3.830 2.125 1.911 2.427 . 0 0 "[ . 1 . 2]" 1
400 1 41 VAL MG1 1 48 GLU HB3 . . 5.000 3.345 2.947 3.792 . 0 0 "[ . 1 . 2]" 1
401 1 41 VAL MG1 1 48 GLU QG . . 3.930 3.554 2.871 3.942 0.012 8 0 "[ . 1 . 2]" 1
402 1 41 VAL MG2 1 47 ALA MB . . 3.500 2.949 2.555 3.415 . 0 0 "[ . 1 . 2]" 1
403 1 41 VAL MG2 1 54 HIS HA . . 3.340 2.601 2.025 3.125 . 0 0 "[ . 1 . 2]" 1
404 1 42 ILE H 1 42 ILE HB . . 3.770 2.622 2.353 2.948 . 0 0 "[ . 1 . 2]" 1
405 1 42 ILE H 1 42 ILE HG12 . . 4.280 2.872 1.886 3.663 . 0 0 "[ . 1 . 2]" 1
406 1 42 ILE H 1 42 ILE QG . . 3.630 2.185 1.880 2.555 . 0 0 "[ . 1 . 2]" 1
407 1 42 ILE H 1 42 ILE HG13 . . 4.280 2.885 2.092 3.814 . 0 0 "[ . 1 . 2]" 1
408 1 42 ILE HA 1 42 ILE MD . . 3.820 2.971 2.047 3.563 . 0 0 "[ . 1 . 2]" 1
409 1 42 ILE HA 1 42 ILE MG . . 3.150 2.446 2.328 2.667 . 0 0 "[ . 1 . 2]" 1
410 1 42 ILE HA 1 43 PRO QD . . 3.330 1.995 1.956 2.032 . 0 0 "[ . 1 . 2]" 1
411 1 42 ILE HB 1 45 GLY QA . . 4.340 2.363 2.007 3.005 . 0 0 "[ . 1 . 2]" 1
412 1 42 ILE MD 1 42 ILE MG . . 2.900 1.967 1.839 2.095 . 0 0 "[ . 1 . 2]" 1
413 1 42 ILE MD 1 45 GLY H . . 5.500 5.029 4.805 5.208 . 0 0 "[ . 1 . 2]" 1
414 1 42 ILE QG 1 42 ILE MG . . 2.800 2.429 2.270 2.528 . 0 0 "[ . 1 . 2]" 1
415 1 42 ILE HG12 1 42 ILE MG . . 3.320 2.845 2.517 3.229 . 0 0 "[ . 1 . 2]" 1
416 1 42 ILE HG13 1 42 ILE MG . . 3.320 2.937 2.321 3.328 0.008 11 0 "[ . 1 . 2]" 1
417 1 42 ILE MG 1 43 PRO HD2 . . 3.870 1.998 1.930 2.075 . 0 0 "[ . 1 . 2]" 1
418 1 42 ILE MG 1 43 PRO QD . . 3.100 1.985 1.920 2.061 . 0 0 "[ . 1 . 2]" 1
419 1 42 ILE MG 1 43 PRO HD3 . . 3.870 3.432 3.057 3.535 . 0 0 "[ . 1 . 2]" 1
420 1 42 ILE MG 1 44 GLN QB . . 4.600 4.168 3.696 4.533 . 0 0 "[ . 1 . 2]" 1
421 1 42 ILE MG 1 45 GLY H . . 4.680 3.240 2.521 3.817 . 0 0 "[ . 1 . 2]" 1
422 1 42 ILE MG 1 45 GLY QA . . 4.830 3.246 2.655 3.824 . 0 0 "[ . 1 . 2]" 1
423 1 43 PRO HA 1 44 GLN H . . 3.090 2.127 2.034 2.215 . 0 0 "[ . 1 . 2]" 1
424 1 43 PRO HA 1 44 GLN HA . . 4.460 4.251 4.132 4.327 . 0 0 "[ . 1 . 2]" 1
425 1 43 PRO QB 1 44 GLN H . . 4.350 3.581 3.314 3.716 . 0 0 "[ . 1 . 2]" 1
426 1 43 PRO QB 1 45 GLY H . . 4.880 4.925 4.736 5.051 0.171 14 0 "[ . 1 . 2]" 1
427 1 44 GLN H 1 44 GLN QG . . 3.810 3.091 2.756 3.927 0.117 14 0 "[ . 1 . 2]" 1
428 1 44 GLN H 1 45 GLY H . . 4.000 2.768 2.625 2.986 . 0 0 "[ . 1 . 2]" 1
429 1 44 GLN HA 1 44 GLN HG2 . . 3.710 2.647 2.512 2.977 . 0 0 "[ . 1 . 2]" 1
430 1 44 GLN HA 1 44 GLN QG . . 3.090 2.454 2.206 2.564 . 0 0 "[ . 1 . 2]" 1
431 1 44 GLN HA 1 44 GLN HG3 . . 3.710 3.076 2.273 3.303 . 0 0 "[ . 1 . 2]" 1
432 1 46 ALA H 1 46 ALA MB . . 3.100 2.290 2.204 2.359 . 0 0 "[ . 1 . 2]" 1
433 1 46 ALA H 1 47 ALA H . . 4.030 2.705 2.559 2.998 . 0 0 "[ . 1 . 2]" 1
434 1 46 ALA HA 1 49 SER QB . . 3.510 2.807 2.543 3.471 . 0 0 "[ . 1 . 2]" 1
435 1 46 ALA MB 1 47 ALA H . . 3.590 2.641 2.404 3.047 . 0 0 "[ . 1 . 2]" 1
436 1 46 ALA MB 1 48 GLU H . . 5.210 4.716 4.552 4.889 . 0 0 "[ . 1 . 2]" 1
437 1 47 ALA H 1 47 ALA MB . . 3.290 2.320 2.275 2.355 . 0 0 "[ . 1 . 2]" 1
438 1 47 ALA H 1 48 GLU H . . 4.010 2.689 2.360 2.781 . 0 0 "[ . 1 . 2]" 1
439 1 47 ALA H 1 49 SER QB . . 5.070 5.047 4.800 5.206 0.136 15 0 "[ . 1 . 2]" 1
440 1 47 ALA HA 1 50 ASP H . . 4.240 3.590 3.347 3.880 . 0 0 "[ . 1 . 2]" 1
441 1 47 ALA HA 1 50 ASP HB2 . . 4.010 3.657 3.124 4.021 0.011 7 0 "[ . 1 . 2]" 1
442 1 47 ALA HA 1 50 ASP HB3 . . 4.000 3.120 2.764 3.558 . 0 0 "[ . 1 . 2]" 1
443 1 47 ALA HA 1 53 ILE MD . . 4.270 3.705 3.321 4.727 0.457 14 0 "[ . 1 . 2]" 1
444 1 47 ALA MB 1 48 GLU H . . 3.750 2.427 2.340 2.548 . 0 0 "[ . 1 . 2]" 1
445 1 47 ALA MB 1 48 GLU HA . . 3.920 3.670 3.602 3.765 . 0 0 "[ . 1 . 2]" 1
446 1 47 ALA MB 1 53 ILE MD . . 3.680 3.301 3.010 3.886 0.206 14 0 "[ . 1 . 2]" 1
447 1 47 ALA MB 1 53 ILE MG . . 3.650 2.795 2.462 3.418 . 0 0 "[ . 1 . 2]" 1
448 1 48 GLU H 1 48 GLU HB2 . . 3.840 2.577 2.424 2.689 . 0 0 "[ . 1 . 2]" 1
449 1 48 GLU H 1 48 GLU HB3 . . 3.830 2.718 2.572 2.930 . 0 0 "[ . 1 . 2]" 1
450 1 48 GLU H 1 48 GLU QG . . 4.700 4.081 3.999 4.197 . 0 0 "[ . 1 . 2]" 1
451 1 48 GLU H 1 49 SER H . . 3.870 2.668 2.592 2.795 . 0 0 "[ . 1 . 2]" 1
452 1 48 GLU HA 1 48 GLU QG . . 3.180 2.546 2.299 3.052 . 0 0 "[ . 1 . 2]" 1
453 1 48 GLU HB3 1 49 SER H . . 3.620 2.790 2.515 2.969 . 0 0 "[ . 1 . 2]" 1
454 1 48 GLU QG 1 49 SER H . . 4.430 3.981 3.680 4.294 . 0 0 "[ . 1 . 2]" 1
455 1 48 GLU QG 1 49 SER HA . . 5.150 3.827 3.535 4.276 . 0 0 "[ . 1 . 2]" 1
456 1 49 SER H 1 49 SER QB . . 3.310 2.397 2.246 2.534 . 0 0 "[ . 1 . 2]" 1
457 1 49 SER H 1 50 ASP H . . 3.840 2.517 2.452 2.589 . 0 0 "[ . 1 . 2]" 1
458 1 49 SER QB 1 50 ASP H . . 3.790 2.622 2.416 3.465 . 0 0 "[ . 1 . 2]" 1
459 1 50 ASP H 1 50 ASP HB2 . . 3.670 2.610 2.440 2.751 . 0 0 "[ . 1 . 2]" 1
460 1 50 ASP H 1 50 ASP HB3 . . 3.840 2.828 2.590 3.062 . 0 0 "[ . 1 . 2]" 1
461 1 50 ASP H 1 51 GLY H . . 3.610 2.509 2.434 2.614 . 0 0 "[ . 1 . 2]" 1
462 1 50 ASP HB2 1 51 GLY H . . 4.350 3.841 3.667 3.937 . 0 0 "[ . 1 . 2]" 1
463 1 50 ASP HB3 1 51 GLY H . . 3.730 2.724 2.536 2.969 . 0 0 "[ . 1 . 2]" 1
464 1 50 ASP HB3 1 51 GLY QA . . 4.550 4.238 4.108 4.365 . 0 0 "[ . 1 . 2]" 1
465 1 51 GLY H 1 52 ARG H . . 4.130 2.823 2.638 2.957 . 0 0 "[ . 1 . 2]" 1
466 1 52 ARG H 1 52 ARG QB . . 3.380 2.468 2.278 2.671 . 0 0 "[ . 1 . 2]" 1
467 1 52 ARG H 1 53 ILE H . . 3.400 2.496 2.406 2.628 . 0 0 "[ . 1 . 2]" 1
468 1 52 ARG HA 1 52 ARG HG2 . . 4.100 3.095 2.401 3.828 . 0 0 "[ . 1 . 2]" 1
469 1 52 ARG HA 1 52 ARG HG3 . . 4.100 2.983 2.435 3.921 . 0 0 "[ . 1 . 2]" 1
470 1 52 ARG QB 1 52 ARG QD . . 3.040 2.418 2.221 2.607 . 0 0 "[ . 1 . 2]" 1
471 1 53 ILE H 1 53 ILE HB . . 3.610 2.551 2.487 2.668 . 0 0 "[ . 1 . 2]" 1
472 1 53 ILE H 1 53 ILE QG . . 3.470 2.424 2.179 2.773 . 0 0 "[ . 1 . 2]" 1
473 1 53 ILE HA 1 53 ILE MD . . 4.370 3.813 3.619 3.872 . 0 0 "[ . 1 . 2]" 1
474 1 53 ILE HA 1 53 ILE MG . . 3.260 2.342 2.297 2.403 . 0 0 "[ . 1 . 2]" 1
475 1 53 ILE HA 1 54 HIS H . . 3.160 2.283 2.194 2.383 . 0 0 "[ . 1 . 2]" 1
476 1 53 ILE HB 1 53 ILE MD . . 3.300 2.458 2.407 2.552 . 0 0 "[ . 1 . 2]" 1
477 1 53 ILE MD 1 88 LEU HB2 . . 3.940 2.881 2.479 3.167 . 0 0 "[ . 1 . 2]" 1
478 1 53 ILE MD 1 90 LEU MD1 . . 4.230 2.443 1.955 2.858 . 0 0 "[ . 1 . 2]" 1
479 1 53 ILE QG 1 53 ILE MG . . 2.720 2.453 2.422 2.494 . 0 0 "[ . 1 . 2]" 1
480 1 53 ILE QG 1 88 LEU MD1 . . 4.770 3.671 3.529 3.795 . 0 0 "[ . 1 . 2]" 1
481 1 53 ILE HG12 1 53 ILE MG . . 3.520 2.527 2.488 2.582 . 0 0 "[ . 1 . 2]" 1
482 1 53 ILE HG13 1 53 ILE MG . . 3.520 3.316 3.301 3.332 . 0 0 "[ . 1 . 2]" 1
483 1 53 ILE MG 1 54 HIS H . . 3.640 2.510 2.150 2.875 . 0 0 "[ . 1 . 2]" 1
484 1 53 ILE MG 1 54 HIS HA . . 4.210 3.519 3.279 3.826 . 0 0 "[ . 1 . 2]" 1
485 1 53 ILE MG 1 57 ASP QB . . 4.130 2.429 2.102 2.674 . 0 0 "[ . 1 . 2]" 1
486 1 54 HIS H 1 54 HIS QB . . 3.580 2.793 2.460 3.244 . 0 0 "[ . 1 . 2]" 1
487 1 54 HIS H 1 57 ASP HB2 . . 5.080 2.685 2.235 3.140 . 0 0 "[ . 1 . 2]" 1
488 1 54 HIS H 1 57 ASP HB3 . . 5.080 3.778 3.096 4.139 . 0 0 "[ . 1 . 2]" 1
489 1 54 HIS HA 1 55 LYS H . . 3.130 2.562 2.467 2.646 . 0 0 "[ . 1 . 2]" 1
490 1 54 HIS HA 1 55 LYS QB . . 4.400 4.373 4.138 4.513 0.113 2 0 "[ . 1 . 2]" 1
491 1 54 HIS QB 1 55 LYS H . . 3.500 2.206 1.898 3.221 . 0 0 "[ . 1 . 2]" 1
492 1 54 HIS QB 1 55 LYS QB . . 4.250 3.798 3.411 4.352 0.102 5 0 "[ . 1 . 2]" 1
493 1 55 LYS H 1 55 LYS QB . . 3.220 2.277 2.039 2.581 . 0 0 "[ . 1 . 2]" 1
494 1 55 LYS H 1 55 LYS QG . . 4.730 3.643 2.046 4.147 . 0 0 "[ . 1 . 2]" 1
495 1 55 LYS HA 1 55 LYS QG . . 3.630 2.865 2.375 3.539 . 0 0 "[ . 1 . 2]" 1
496 1 55 LYS HA 1 56 GLY H . . 3.070 2.401 2.155 2.491 . 0 0 "[ . 1 . 2]" 1
497 1 55 LYS QB 1 56 GLY H . . 4.300 3.599 2.836 3.875 . 0 0 "[ . 1 . 2]" 1
498 1 55 LYS QD 1 56 GLY QA . . 4.370 3.347 2.511 4.490 0.120 6 0 "[ . 1 . 2]" 1
499 1 55 LYS QE 1 55 LYS QG . . 3.380 2.393 2.140 2.920 . 0 0 "[ . 1 . 2]" 1
500 1 55 LYS QG 1 56 GLY H . . 4.370 3.111 2.283 4.463 0.093 1 0 "[ . 1 . 2]" 1
501 1 55 LYS QG 1 56 GLY QA . . 4.470 3.636 2.935 4.529 0.059 2 0 "[ . 1 . 2]" 1
502 1 56 GLY H 1 57 ASP H . . 3.700 2.548 2.349 2.700 . 0 0 "[ . 1 . 2]" 1
503 1 56 GLY H 1 57 ASP QB . . 4.920 4.441 4.284 4.662 . 0 0 "[ . 1 . 2]" 1
504 1 57 ASP HA 1 58 ARG H . . 3.380 2.398 2.269 2.583 . 0 0 "[ . 1 . 2]" 1
505 1 58 ARG HA 1 59 VAL H . . 3.270 2.212 2.062 2.315 . 0 0 "[ . 1 . 2]" 1
506 1 58 ARG QD 1 60 LEU MD2 . . 3.780 3.304 2.156 4.096 0.316 14 0 "[ . 1 . 2]" 1
507 1 59 VAL H 1 59 VAL HB . . 3.520 2.616 2.538 2.726 . 0 0 "[ . 1 . 2]" 1
508 1 59 VAL H 1 59 VAL MG1 . . 4.560 3.850 3.816 3.889 . 0 0 "[ . 1 . 2]" 1
509 1 59 VAL H 1 59 VAL MG2 . . 3.330 2.236 1.999 2.386 . 0 0 "[ . 1 . 2]" 1
510 1 59 VAL H 1 90 LEU MD2 . . 4.210 4.020 3.705 4.207 . 0 0 "[ . 1 . 2]" 1
511 1 59 VAL HA 1 59 VAL MG1 . . 3.170 2.324 2.289 2.359 . 0 0 "[ . 1 . 2]" 1
512 1 59 VAL HA 1 59 VAL MG2 . . 3.240 2.541 2.493 2.609 . 0 0 "[ . 1 . 2]" 1
513 1 59 VAL HA 1 60 LEU H . . 3.360 2.243 2.200 2.283 . 0 0 "[ . 1 . 2]" 1
514 1 59 VAL HA 1 60 LEU HA . . 4.440 4.456 4.442 4.466 0.026 2 0 "[ . 1 . 2]" 1
515 1 59 VAL HA 1 61 ALA H . . 4.410 4.047 3.910 4.136 . 0 0 "[ . 1 . 2]" 1
516 1 59 VAL HA 1 90 LEU HA . . 3.790 2.412 2.156 2.744 . 0 0 "[ . 1 . 2]" 1
517 1 59 VAL HA 1 90 LEU MD2 . . 3.550 3.074 3.000 3.141 . 0 0 "[ . 1 . 2]" 1
518 1 59 VAL HB 1 60 LEU H . . 5.420 3.852 3.773 3.980 . 0 0 "[ . 1 . 2]" 1
519 1 59 VAL HB 1 90 LEU MD2 . . 4.540 4.586 4.462 4.780 0.240 2 0 "[ . 1 . 2]" 1
520 1 59 VAL MG1 1 60 LEU H . . 3.870 2.329 2.202 2.544 . 0 0 "[ . 1 . 2]" 1
521 1 59 VAL MG1 1 60 LEU HB3 . . 4.860 5.111 5.003 5.287 0.427 17 0 "[ . 1 . 2]" 1
522 1 59 VAL MG1 1 61 ALA H . . 3.690 2.733 2.553 2.902 . 0 0 "[ . 1 . 2]" 1
523 1 59 VAL MG1 1 88 LEU HB2 . . 4.520 4.264 4.130 4.329 . 0 0 "[ . 1 . 2]" 1
524 1 59 VAL MG1 1 89 LEU H . . 4.610 2.942 2.759 3.187 . 0 0 "[ . 1 . 2]" 1
525 1 59 VAL MG1 1 90 LEU HG . . 3.910 2.545 2.291 2.864 . 0 0 "[ . 1 . 2]" 1
526 1 59 VAL MG2 1 60 LEU H . . 4.640 4.141 4.035 4.257 . 0 0 "[ . 1 . 2]" 1
527 1 59 VAL MG2 1 90 LEU HA . . 5.500 4.215 4.029 4.462 . 0 0 "[ . 1 . 2]" 1
528 1 59 VAL MG2 1 90 LEU HG . . 3.780 2.609 2.433 2.907 . 0 0 "[ . 1 . 2]" 1
529 1 60 LEU H 1 60 LEU HB2 . . 4.140 3.822 3.781 3.860 . 0 0 "[ . 1 . 2]" 1
530 1 60 LEU H 1 60 LEU HB3 . . 3.960 3.524 3.430 3.628 . 0 0 "[ . 1 . 2]" 1
531 1 60 LEU H 1 60 LEU MD1 . . 3.880 3.990 3.933 4.028 0.148 15 0 "[ . 1 . 2]" 1
532 1 60 LEU H 1 60 LEU MD2 . . 3.800 2.252 2.077 2.397 . 0 0 "[ . 1 . 2]" 1
533 1 60 LEU H 1 61 ALA H . . 3.460 1.953 1.869 2.050 . 0 0 "[ . 1 . 2]" 1
534 1 60 LEU H 1 61 ALA MB . . 4.660 4.286 4.233 4.360 . 0 0 "[ . 1 . 2]" 1
535 1 60 LEU H 1 89 LEU HB3 . . 5.500 3.653 3.436 4.088 . 0 0 "[ . 1 . 2]" 1
536 1 60 LEU H 1 90 LEU HB3 . . 5.410 5.060 4.925 5.218 . 0 0 "[ . 1 . 2]" 1
537 1 60 LEU H 1 90 LEU MD2 . . 4.770 4.836 4.812 4.853 0.083 2 0 "[ . 1 . 2]" 1
538 1 60 LEU HA 1 60 LEU MD2 . . 4.070 3.522 3.438 3.624 . 0 0 "[ . 1 . 2]" 1
539 1 60 LEU HB2 1 60 LEU MD1 . . 3.550 2.217 2.199 2.235 . 0 0 "[ . 1 . 2]" 1
540 1 60 LEU HB2 1 61 ALA H . . 3.560 3.413 3.275 3.484 . 0 0 "[ . 1 . 2]" 1
541 1 60 LEU HB2 1 61 ALA MB . . 3.760 3.564 3.333 3.619 . 0 0 "[ . 1 . 2]" 1
542 1 60 LEU HB2 1 90 LEU HA . . 5.500 5.793 5.682 5.861 0.361 17 0 "[ . 1 . 2]" 1
543 1 60 LEU HB3 1 60 LEU MD1 . . 3.170 2.649 2.584 2.770 . 0 0 "[ . 1 . 2]" 1
544 1 60 LEU HB3 1 60 LEU MD2 . . 2.790 2.234 2.215 2.253 . 0 0 "[ . 1 . 2]" 1
545 1 60 LEU HB3 1 61 ALA H . . 4.210 4.034 3.895 4.073 . 0 0 "[ . 1 . 2]" 1
546 1 60 LEU HB3 1 61 ALA MB . . 4.900 4.898 4.671 4.984 0.084 20 0 "[ . 1 . 2]" 1
547 1 60 LEU MD1 1 89 LEU H . . 5.500 5.254 4.823 5.499 . 0 0 "[ . 1 . 2]" 1
548 1 60 LEU MD1 1 89 LEU HB3 . . 3.130 3.021 2.132 3.465 0.335 4 0 "[ . 1 . 2]" 1
549 1 60 LEU MD1 1 90 LEU HA . . 4.620 4.508 4.142 4.667 0.047 17 0 "[ . 1 . 2]" 1
550 1 60 LEU MD2 1 61 ALA H . . 3.770 3.320 3.206 3.490 . 0 0 "[ . 1 . 2]" 1
551 1 60 LEU MD2 1 89 LEU QD . . 3.120 3.395 3.167 3.719 0.599 16 4 "[ . 1 * .+- *2]" 1
552 1 60 LEU MD2 1 89 LEU HG . . 3.180 2.953 2.455 4.006 0.826 16 4 "[ . 1 * .+* -2]" 1
553 1 60 LEU HG 1 61 ALA HA . . 4.930 4.500 4.309 4.722 . 0 0 "[ . 1 . 2]" 1
554 1 61 ALA H 1 61 ALA MB . . 3.410 2.672 2.619 2.740 . 0 0 "[ . 1 . 2]" 1
555 1 61 ALA H 1 62 VAL MG2 . . 4.470 4.234 4.089 4.390 . 0 0 "[ . 1 . 2]" 1
556 1 61 ALA H 1 89 LEU HB2 . . 4.430 3.637 2.601 4.034 . 0 0 "[ . 1 . 2]" 1
557 1 61 ALA H 1 89 LEU HB3 . . 4.260 2.464 2.163 3.506 . 0 0 "[ . 1 . 2]" 1
558 1 61 ALA H 1 89 LEU QD . . 4.240 3.699 3.422 4.040 . 0 0 "[ . 1 . 2]" 1
559 1 61 ALA HA 1 62 VAL H . . 3.210 2.161 2.088 2.226 . 0 0 "[ . 1 . 2]" 1
560 1 61 ALA HA 1 62 VAL MG2 . . 3.950 3.194 3.123 3.298 . 0 0 "[ . 1 . 2]" 1
561 1 61 ALA HA 1 66 SER HA . . 3.630 2.905 2.343 3.394 . 0 0 "[ . 1 . 2]" 1
562 1 61 ALA HA 1 67 LEU H . . 3.960 2.722 2.319 3.901 . 0 0 "[ . 1 . 2]" 1
563 1 61 ALA HA 1 67 LEU QB . . 3.850 3.386 2.659 4.051 0.201 9 0 "[ . 1 . 2]" 1
564 1 61 ALA MB 1 62 VAL H . . 3.150 2.061 1.981 2.149 . 0 0 "[ . 1 . 2]" 1
565 1 61 ALA MB 1 62 VAL MG2 . . 4.240 4.038 4.023 4.055 . 0 0 "[ . 1 . 2]" 1
566 1 61 ALA MB 1 64 GLY H . . 4.570 2.654 2.299 2.945 . 0 0 "[ . 1 . 2]" 1
567 1 61 ALA MB 1 64 GLY HA2 . . 3.970 2.935 2.510 3.402 . 0 0 "[ . 1 . 2]" 1
568 1 61 ALA MB 1 65 VAL H . . 4.380 2.849 2.481 3.237 . 0 0 "[ . 1 . 2]" 1
569 1 61 ALA MB 1 65 VAL HB . . 5.210 4.439 4.209 4.677 . 0 0 "[ . 1 . 2]" 1
570 1 61 ALA MB 1 66 SER H . . 4.590 4.176 3.747 4.369 . 0 0 "[ . 1 . 2]" 1
571 1 61 ALA MB 1 66 SER HA . . 3.210 2.870 2.227 3.194 . 0 0 "[ . 1 . 2]" 1
572 1 61 ALA MB 1 66 SER QB . . 5.070 4.355 3.548 4.790 . 0 0 "[ . 1 . 2]" 1
573 1 61 ALA MB 1 89 LEU H . . 4.160 3.496 3.305 3.695 . 0 0 "[ . 1 . 2]" 1
574 1 61 ALA MB 1 89 LEU HB2 . . 3.640 2.447 2.029 2.667 . 0 0 "[ . 1 . 2]" 1
575 1 61 ALA MB 1 89 LEU HB3 . . 2.890 2.360 1.973 3.619 0.729 17 3 "[ . 1 * .-+ 2]" 1
576 1 61 ALA MB 1 89 LEU QD . . 3.170 2.401 2.195 2.608 . 0 0 "[ . 1 . 2]" 1
577 1 62 VAL H 1 62 VAL HB . . 3.850 2.977 2.900 3.040 . 0 0 "[ . 1 . 2]" 1
578 1 62 VAL H 1 62 VAL MG1 . . 4.080 4.030 3.981 4.063 . 0 0 "[ . 1 . 2]" 1
579 1 62 VAL H 1 62 VAL MG2 . . 3.700 2.990 2.923 3.039 . 0 0 "[ . 1 . 2]" 1
580 1 62 VAL H 1 63 ASN H . . 5.360 3.886 3.763 3.983 . 0 0 "[ . 1 . 2]" 1
581 1 62 VAL H 1 65 VAL H . . 3.770 2.389 2.151 2.711 . 0 0 "[ . 1 . 2]" 1
582 1 62 VAL H 1 65 VAL HB . . 4.310 3.239 2.998 3.438 . 0 0 "[ . 1 . 2]" 1
583 1 62 VAL HA 1 62 VAL MG1 . . 3.310 2.373 2.335 2.414 . 0 0 "[ . 1 . 2]" 1
584 1 62 VAL HA 1 62 VAL MG2 . . 3.330 2.425 2.398 2.465 . 0 0 "[ . 1 . 2]" 1
585 1 62 VAL HA 1 88 LEU HA . . 3.790 2.561 2.381 2.775 . 0 0 "[ . 1 . 2]" 1
586 1 62 VAL HA 1 88 LEU MD2 . . 3.550 2.499 2.072 3.002 . 0 0 "[ . 1 . 2]" 1
587 1 62 VAL HB 1 78 THR MG . . 3.230 2.607 2.173 3.251 0.021 13 0 "[ . 1 . 2]" 1
588 1 62 VAL MG1 1 63 ASN H . . 4.140 3.059 2.875 3.242 . 0 0 "[ . 1 . 2]" 1
589 1 62 VAL MG1 1 78 THR MG . . 2.840 2.112 1.956 2.487 . 0 0 "[ . 1 . 2]" 1
590 1 62 VAL MG2 1 67 LEU QB . . 3.860 3.269 2.425 3.937 0.077 9 0 "[ . 1 . 2]" 1
591 1 62 VAL MG2 1 67 LEU HG . . 4.080 2.643 2.163 3.348 . 0 0 "[ . 1 . 2]" 1
592 1 62 VAL MG2 1 78 THR MG . . 3.100 2.670 2.108 3.171 0.071 16 0 "[ . 1 . 2]" 1
593 1 62 VAL MG2 1 89 LEU H . . 5.500 3.960 3.640 4.333 . 0 0 "[ . 1 . 2]" 1
594 1 63 ASN H 1 64 GLY H . . 4.190 2.940 2.835 3.023 . 0 0 "[ . 1 . 2]" 1
595 1 63 ASN H 1 87 HIS H . . 4.700 3.681 3.337 4.236 . 0 0 "[ . 1 . 2]" 1
596 1 63 ASN H 1 87 HIS QB . . 4.190 2.977 2.604 3.393 . 0 0 "[ . 1 . 2]" 1
597 1 63 ASN HA 1 87 HIS QB . . 3.550 2.224 2.031 2.529 . 0 0 "[ . 1 . 2]" 1
598 1 64 GLY H 1 65 VAL H . . 3.930 2.476 2.357 2.581 . 0 0 "[ . 1 . 2]" 1
599 1 65 VAL H 1 65 VAL HB . . 3.370 2.557 2.403 2.727 . 0 0 "[ . 1 . 2]" 1
600 1 65 VAL H 1 65 VAL MG2 . . 3.330 2.509 2.424 2.610 . 0 0 "[ . 1 . 2]" 1
601 1 65 VAL HA 1 65 VAL MG1 . . 3.000 2.365 2.301 2.427 . 0 0 "[ . 1 . 2]" 1
602 1 65 VAL HA 1 65 VAL MG2 . . 3.370 2.413 2.345 2.457 . 0 0 "[ . 1 . 2]" 1
603 1 65 VAL HA 1 66 SER H . . 3.100 2.108 2.040 2.149 . 0 0 "[ . 1 . 2]" 1
604 1 65 VAL MG1 1 66 SER H . . 3.740 2.906 2.796 3.016 . 0 0 "[ . 1 . 2]" 1
605 1 65 VAL MG1 1 66 SER QB . . 4.770 4.055 3.773 4.319 . 0 0 "[ . 1 . 2]" 1
606 1 65 VAL MG1 1 67 LEU H . . 5.080 3.719 1.778 4.100 . 0 0 "[ . 1 . 2]" 1
607 1 65 VAL MG2 1 66 SER H . . 4.360 4.136 4.057 4.204 . 0 0 "[ . 1 . 2]" 1
608 1 66 SER H 1 66 SER HB2 . . 3.750 2.648 2.548 2.742 . 0 0 "[ . 1 . 2]" 1
609 1 66 SER H 1 66 SER QB . . 3.180 2.593 2.502 2.677 . 0 0 "[ . 1 . 2]" 1
610 1 66 SER H 1 66 SER HB3 . . 3.750 3.699 3.648 3.749 . 0 0 "[ . 1 . 2]" 1
611 1 66 SER HA 1 67 LEU H . . 3.140 2.263 2.027 3.070 . 0 0 "[ . 1 . 2]" 1
612 1 66 SER HA 1 67 LEU QB . . 4.320 4.208 4.073 4.290 . 0 0 "[ . 1 . 2]" 1
613 1 66 SER QB 1 67 LEU H . . 4.440 3.527 3.422 3.656 . 0 0 "[ . 1 . 2]" 1
614 1 66 SER QB 1 67 LEU QB . . 5.340 4.971 4.695 5.109 . 0 0 "[ . 1 . 2]" 1
615 1 66 SER QB 1 68 GLU H . . 3.670 2.871 2.256 3.476 . 0 0 "[ . 1 . 2]" 1
616 1 67 LEU H 1 67 LEU QB . . 3.560 2.390 2.126 3.288 . 0 0 "[ . 1 . 2]" 1
617 1 67 LEU H 1 67 LEU MD1 . . 4.400 4.192 3.775 4.406 0.006 1 0 "[ . 1 . 2]" 1
618 1 67 LEU H 1 67 LEU MD2 . . 4.500 2.917 2.351 3.507 . 0 0 "[ . 1 . 2]" 1
619 1 67 LEU HA 1 67 LEU MD2 . . 2.910 2.364 2.031 2.753 . 0 0 "[ . 1 . 2]" 1
620 1 67 LEU QB 1 67 LEU MD1 . . 3.010 2.248 2.099 2.371 . 0 0 "[ . 1 . 2]" 1
621 1 67 LEU QB 1 67 LEU MD2 . . 2.990 2.423 2.352 2.466 . 0 0 "[ . 1 . 2]" 1
622 1 67 LEU MD1 1 75 ALA H . . 4.540 3.664 3.148 5.184 0.644 18 1 "[ . 1 . + 2]" 1
623 1 67 LEU MD1 1 78 THR HB . . 4.970 3.264 2.847 3.834 . 0 0 "[ . 1 . 2]" 1
624 1 67 LEU MD2 1 75 ALA HA . . 3.420 3.765 2.334 3.911 0.491 9 0 "[ . 1 . 2]" 1
625 1 67 LEU MD2 1 78 THR HB . . 3.810 3.362 2.821 4.080 0.270 8 0 "[ . 1 . 2]" 1
626 1 67 LEU MD2 1 78 THR MG . . 3.090 2.061 1.898 2.474 . 0 0 "[ . 1 . 2]" 1
627 1 68 GLU H 1 68 GLU QB . . 3.070 2.580 2.206 2.815 . 0 0 "[ . 1 . 2]" 1
628 1 68 GLU H 1 68 GLU QG . . 3.850 2.339 1.933 3.924 0.074 6 0 "[ . 1 . 2]" 1
629 1 68 GLU HA 1 68 GLU QG . . 3.470 2.769 2.378 3.436 . 0 0 "[ . 1 . 2]" 1
630 1 68 GLU HA 1 69 GLY H . . 3.320 2.248 2.131 2.331 . 0 0 "[ . 1 . 2]" 1
631 1 68 GLU QB 1 69 GLY H . . 4.700 2.842 2.512 3.634 . 0 0 "[ . 1 . 2]" 1
632 1 69 GLY H 1 70 ALA H . . 3.810 3.020 2.557 3.227 . 0 0 "[ . 1 . 2]" 1
633 1 70 ALA H 1 70 ALA MB . . 3.160 2.311 2.203 2.386 . 0 0 "[ . 1 . 2]" 1
634 1 70 ALA H 1 74 GLN QB . . 5.340 5.301 4.818 5.426 0.086 20 0 "[ . 1 . 2]" 1
635 1 70 ALA HA 1 71 THR H . . 3.070 2.430 2.194 2.585 . 0 0 "[ . 1 . 2]" 1
636 1 70 ALA HA 1 74 GLN QB . . 4.590 3.944 2.937 4.167 . 0 0 "[ . 1 . 2]" 1
637 1 70 ALA MB 1 74 GLN HB2 . . 3.520 2.519 1.929 3.449 . 0 0 "[ . 1 . 2]" 1
638 1 70 ALA MB 1 74 GLN HB3 . . 3.520 2.532 2.021 3.044 . 0 0 "[ . 1 . 2]" 1
639 1 71 THR H 1 71 THR MG . . 3.270 2.474 2.279 2.901 . 0 0 "[ . 1 . 2]" 1
640 1 71 THR H 1 74 GLN H . . 4.870 3.545 3.258 3.923 . 0 0 "[ . 1 . 2]" 1
641 1 71 THR H 1 74 GLN HB2 . . 4.320 2.746 2.359 3.158 . 0 0 "[ . 1 . 2]" 1
642 1 71 THR H 1 74 GLN QB . . 3.580 2.565 2.340 2.847 . 0 0 "[ . 1 . 2]" 1
643 1 71 THR H 1 74 GLN HB3 . . 4.320 3.633 2.510 4.351 0.031 1 0 "[ . 1 . 2]" 1
644 1 71 THR HA 1 71 THR MG . . 3.110 2.283 2.150 2.379 . 0 0 "[ . 1 . 2]" 1
645 1 71 THR HA 1 72 HIS H . . 3.390 2.356 2.250 2.533 . 0 0 "[ . 1 . 2]" 1
646 1 71 THR HA 1 72 HIS HA . . 4.310 4.206 3.994 4.299 . 0 0 "[ . 1 . 2]" 1
647 1 71 THR HA 1 72 HIS HD2 . . 4.640 4.581 4.195 4.691 0.051 1 0 "[ . 1 . 2]" 1
648 1 71 THR HA 1 74 GLN H . . 4.820 4.539 4.323 4.823 0.003 11 0 "[ . 1 . 2]" 1
649 1 71 THR HB 1 72 HIS H . . 3.880 2.353 2.044 2.664 . 0 0 "[ . 1 . 2]" 1
650 1 71 THR MG 1 72 HIS H . . 4.560 3.530 3.198 3.692 . 0 0 "[ . 1 . 2]" 1
651 1 72 HIS H 1 72 HIS HB2 . . 3.710 3.749 3.723 3.787 0.077 11 0 "[ . 1 . 2]" 1
652 1 72 HIS H 1 72 HIS HB3 . . 3.710 2.681 2.598 2.788 . 0 0 "[ . 1 . 2]" 1
653 1 72 HIS H 1 73 LYS H . . 4.170 2.726 2.633 2.803 . 0 0 "[ . 1 . 2]" 1
654 1 72 HIS HA 1 75 ALA H . . 4.460 3.273 3.107 3.449 . 0 0 "[ . 1 . 2]" 1
655 1 72 HIS HA 1 75 ALA MB . . 3.720 2.645 2.364 2.946 . 0 0 "[ . 1 . 2]" 1
656 1 72 HIS QB 1 73 LYS H . . 3.920 3.526 3.427 3.635 . 0 0 "[ . 1 . 2]" 1
657 1 72 HIS QB 1 75 ALA MB . . 4.270 3.737 3.474 3.995 . 0 0 "[ . 1 . 2]" 1
658 1 73 LYS H 1 74 GLN H . . 4.170 3.047 2.863 3.138 . 0 0 "[ . 1 . 2]" 1
659 1 73 LYS HA 1 73 LYS HG2 . . 4.210 3.290 2.374 4.220 0.010 5 0 "[ . 1 . 2]" 1
660 1 73 LYS HA 1 73 LYS QG . . 3.640 2.948 2.303 3.548 . 0 0 "[ . 1 . 2]" 1
661 1 73 LYS HA 1 73 LYS HG3 . . 4.210 3.451 2.491 3.898 . 0 0 "[ . 1 . 2]" 1
662 1 73 LYS HA 1 76 VAL H . . 4.480 3.408 3.141 3.701 . 0 0 "[ . 1 . 2]" 1
663 1 73 LYS HA 1 76 VAL HB . . 4.540 3.204 2.873 3.475 . 0 0 "[ . 1 . 2]" 1
664 1 73 LYS HA 1 76 VAL MG2 . . 3.880 2.926 2.395 3.475 . 0 0 "[ . 1 . 2]" 1
665 1 73 LYS QE 1 73 LYS QG . . 3.140 2.498 2.180 2.984 . 0 0 "[ . 1 . 2]" 1
666 1 74 GLN H 1 74 GLN QB . . 3.680 2.228 1.972 2.411 . 0 0 "[ . 1 . 2]" 1
667 1 74 GLN H 1 74 GLN QG . . 4.140 3.265 2.218 3.999 . 0 0 "[ . 1 . 2]" 1
668 1 74 GLN H 1 75 ALA H . . 3.600 2.599 2.514 2.667 . 0 0 "[ . 1 . 2]" 1
669 1 74 GLN HA 1 74 GLN QG . . 3.600 2.661 2.378 3.131 . 0 0 "[ . 1 . 2]" 1
670 1 75 ALA H 1 75 ALA MB . . 3.110 2.270 2.191 2.315 . 0 0 "[ . 1 . 2]" 1
671 1 75 ALA H 1 76 VAL MG2 . . 4.880 4.118 3.915 4.295 . 0 0 "[ . 1 . 2]" 1
672 1 75 ALA HA 1 78 THR HB . . 3.730 3.163 2.966 3.374 . 0 0 "[ . 1 . 2]" 1
673 1 75 ALA MB 1 76 VAL H . . 3.440 2.649 2.539 2.767 . 0 0 "[ . 1 . 2]" 1
674 1 75 ALA MB 1 76 VAL HA . . 4.590 3.854 3.772 3.920 . 0 0 "[ . 1 . 2]" 1
675 1 75 ALA MB 1 76 VAL MG2 . . 3.890 3.054 2.951 3.177 . 0 0 "[ . 1 . 2]" 1
676 1 76 VAL H 1 76 VAL HB . . 3.400 2.601 2.485 2.690 . 0 0 "[ . 1 . 2]" 1
677 1 76 VAL H 1 76 VAL MG1 . . 4.420 3.844 3.782 3.880 . 0 0 "[ . 1 . 2]" 1
678 1 76 VAL H 1 76 VAL MG2 . . 3.260 2.131 2.033 2.231 . 0 0 "[ . 1 . 2]" 1
679 1 76 VAL HA 1 76 VAL MG1 . . 3.550 2.398 2.319 2.463 . 0 0 "[ . 1 . 2]" 1
680 1 76 VAL HA 1 76 VAL MG2 . . 3.220 2.451 2.399 2.510 . 0 0 "[ . 1 . 2]" 1
681 1 76 VAL HA 1 79 LEU H . . 5.500 3.636 3.497 3.858 . 0 0 "[ . 1 . 2]" 1
682 1 76 VAL HA 1 79 LEU HB2 . . 4.160 3.586 3.356 3.847 . 0 0 "[ . 1 . 2]" 1
683 1 76 VAL HA 1 79 LEU MD1 . . 4.010 3.039 2.586 3.358 . 0 0 "[ . 1 . 2]" 1
684 1 76 VAL HA 1 79 LEU MD2 . . 4.890 4.882 4.702 4.946 0.056 9 0 "[ . 1 . 2]" 1
685 1 76 VAL HB 1 77 CYS H . . 3.750 2.171 2.048 2.263 . 0 0 "[ . 1 . 2]" 1
686 1 76 VAL MG1 1 77 CYS H . . 4.530 3.236 3.051 3.441 . 0 0 "[ . 1 . 2]" 1
687 1 76 VAL MG1 1 77 CYS HA . . 4.780 3.345 3.036 3.692 . 0 0 "[ . 1 . 2]" 1
688 1 76 VAL MG1 1 79 LEU H . . 4.870 4.642 4.482 4.847 . 0 0 "[ . 1 . 2]" 1
689 1 76 VAL MG1 1 79 LEU MD1 . . 4.050 3.689 3.437 4.052 0.002 9 0 "[ . 1 . 2]" 1
690 1 76 VAL MG1 1 80 ARG QD . . 4.040 2.791 1.986 3.934 . 0 0 "[ . 1 . 2]" 1
691 1 76 VAL MG2 1 77 CYS H . . 5.140 3.553 3.446 3.685 . 0 0 "[ . 1 . 2]" 1
692 1 77 CYS H 1 77 CYS QB . . 3.420 2.738 2.346 2.972 . 0 0 "[ . 1 . 2]" 1
693 1 77 CYS H 1 79 LEU H . . 4.870 4.688 4.521 4.800 . 0 0 "[ . 1 . 2]" 1
694 1 77 CYS HA 1 80 ARG QB . . 4.450 2.585 2.121 3.041 . 0 0 "[ . 1 . 2]" 1
695 1 77 CYS QB 1 78 THR H . . 4.410 2.846 2.699 3.054 . 0 0 "[ . 1 . 2]" 1
696 1 78 THR H 1 78 THR HB . . 3.860 2.686 2.611 2.741 . 0 0 "[ . 1 . 2]" 1
697 1 78 THR H 1 78 THR MG . . 4.350 3.900 3.846 3.958 . 0 0 "[ . 1 . 2]" 1
698 1 78 THR H 1 79 LEU H . . 3.790 2.735 2.579 2.816 . 0 0 "[ . 1 . 2]" 1
699 1 78 THR H 1 80 ARG QB . . 4.950 4.811 4.276 5.243 0.293 19 0 "[ . 1 . 2]" 1
700 1 78 THR HA 1 78 THR MG . . 3.210 2.373 2.313 2.422 . 0 0 "[ . 1 . 2]" 1
701 1 78 THR HA 1 80 ARG H . . 5.440 5.043 4.948 5.178 . 0 0 "[ . 1 . 2]" 1
702 1 78 THR HB 1 79 LEU H . . 3.790 2.376 2.292 2.524 . 0 0 "[ . 1 . 2]" 1
703 1 78 THR HB 1 79 LEU MD1 . . 5.500 4.845 4.543 5.004 . 0 0 "[ . 1 . 2]" 1
704 1 78 THR HB 1 79 LEU MD2 . . 4.160 3.555 3.279 3.714 . 0 0 "[ . 1 . 2]" 1
705 1 78 THR MG 1 79 LEU H . . 4.740 3.341 3.261 3.474 . 0 0 "[ . 1 . 2]" 1
706 1 78 THR MG 1 79 LEU MD2 . . 3.280 3.187 2.994 3.239 . 0 0 "[ . 1 . 2]" 1
707 1 78 THR MG 1 79 LEU HG . . 4.350 4.227 3.976 4.359 0.009 2 0 "[ . 1 . 2]" 1
708 1 79 LEU H 1 79 LEU HB2 . . 3.520 2.692 2.580 2.758 . 0 0 "[ . 1 . 2]" 1
709 1 79 LEU H 1 79 LEU MD1 . . 4.090 3.635 3.432 3.713 . 0 0 "[ . 1 . 2]" 1
710 1 79 LEU H 1 79 LEU HG . . 4.400 2.058 1.942 2.112 . 0 0 "[ . 1 . 2]" 1
711 1 79 LEU HA 1 79 LEU MD2 . . 3.070 2.135 2.094 2.181 . 0 0 "[ . 1 . 2]" 1
712 1 79 LEU HA 1 79 LEU HG . . 3.980 3.215 3.121 3.270 . 0 0 "[ . 1 . 2]" 1
713 1 79 LEU HA 1 82 THR MG . . 3.470 2.746 2.146 3.095 . 0 0 "[ . 1 . 2]" 1
714 1 79 LEU HB2 1 79 LEU MD2 . . 3.650 3.314 3.298 3.325 . 0 0 "[ . 1 . 2]" 1
715 1 79 LEU HB2 1 80 ARG H . . 3.270 2.006 1.914 2.071 . 0 0 "[ . 1 . 2]" 1
716 1 79 LEU HB3 1 79 LEU MD2 . . 3.240 2.559 2.522 2.584 . 0 0 "[ . 1 . 2]" 1
717 1 79 LEU MD2 1 82 THR MG . . 3.370 3.318 2.981 3.437 0.067 6 0 "[ . 1 . 2]" 1
718 1 80 ARG HA 1 80 ARG QD . . 4.350 3.982 2.292 4.352 0.002 11 0 "[ . 1 . 2]" 1
719 1 80 ARG QB 1 81 ASN H . . 4.390 2.883 2.535 3.307 . 0 0 "[ . 1 . 2]" 1
720 1 81 ASN H 1 81 ASN HB2 . . 4.010 2.627 2.449 2.849 . 0 0 "[ . 1 . 2]" 1
721 1 81 ASN H 1 81 ASN QB . . 3.290 2.426 2.327 2.588 . 0 0 "[ . 1 . 2]" 1
722 1 81 ASN H 1 81 ASN HB3 . . 4.010 3.162 2.514 3.791 . 0 0 "[ . 1 . 2]" 1
723 1 81 ASN H 1 82 THR HA . . 5.350 4.868 4.627 5.081 . 0 0 "[ . 1 . 2]" 1
724 1 81 ASN QB 1 82 THR HA . . 4.840 4.126 3.969 4.303 . 0 0 "[ . 1 . 2]" 1
725 1 81 ASN QB 1 82 THR MG . . 4.070 3.823 3.413 4.325 0.255 17 0 "[ . 1 . 2]" 1
726 1 82 THR H 1 82 THR MG . . 3.810 2.738 2.433 3.088 . 0 0 "[ . 1 . 2]" 1
727 1 82 THR HA 1 82 THR MG . . 3.200 2.273 2.223 2.310 . 0 0 "[ . 1 . 2]" 1
728 1 82 THR HA 1 83 GLY H . . 3.220 2.484 2.305 2.645 . 0 0 "[ . 1 . 2]" 1
729 1 82 THR HA 1 86 VAL MG2 . . 4.110 4.163 3.820 4.373 0.263 19 0 "[ . 1 . 2]" 1
730 1 82 THR HB 1 83 GLY H . . 3.880 2.144 1.937 2.567 . 0 0 "[ . 1 . 2]" 1
731 1 82 THR HB 1 86 VAL MG1 . . 4.200 2.571 2.313 3.232 . 0 0 "[ . 1 . 2]" 1
732 1 82 THR HB 1 86 VAL MG2 . . 3.110 2.078 1.897 2.228 . 0 0 "[ . 1 . 2]" 1
733 1 82 THR MG 1 83 GLY H . . 4.350 3.414 3.301 3.579 . 0 0 "[ . 1 . 2]" 1
734 1 82 THR MG 1 86 VAL MG1 . . 3.050 2.075 1.937 2.213 . 0 0 "[ . 1 . 2]" 1
735 1 82 THR MG 1 86 VAL MG2 . . 3.170 3.060 2.212 3.211 0.041 6 0 "[ . 1 . 2]" 1
736 1 82 THR MG 1 87 HIS H . . 5.020 4.842 4.484 5.093 0.073 6 0 "[ . 1 . 2]" 1
737 1 83 GLY H 1 86 VAL MG2 . . 5.090 2.965 2.274 3.513 . 0 0 "[ . 1 . 2]" 1
738 1 83 GLY QA 1 85 VAL H . . 4.430 3.529 3.242 3.941 . 0 0 "[ . 1 . 2]" 1
739 1 84 GLN H 1 84 GLN QG . . 4.090 3.475 1.893 4.067 . 0 0 "[ . 1 . 2]" 1
740 1 84 GLN H 1 85 VAL H . . 3.580 2.349 2.226 2.521 . 0 0 "[ . 1 . 2]" 1
741 1 84 GLN H 1 85 VAL HA . . 4.920 4.963 4.891 5.006 0.086 7 0 "[ . 1 . 2]" 1
742 1 84 GLN HA 1 84 GLN QG . . 3.570 2.848 2.413 3.606 0.036 5 0 "[ . 1 . 2]" 1
743 1 84 GLN HA 1 85 VAL HA . . 4.720 4.494 4.416 4.546 . 0 0 "[ . 1 . 2]" 1
744 1 84 GLN QB 1 85 VAL H . . 3.460 2.872 2.309 3.699 0.239 7 0 "[ . 1 . 2]" 1
745 1 84 GLN QB 1 85 VAL MG2 . . 4.850 2.842 2.406 3.493 . 0 0 "[ . 1 . 2]" 1
746 1 84 GLN HB2 1 85 VAL H . . 4.180 3.896 3.713 4.050 . 0 0 "[ . 1 . 2]" 1
747 1 84 GLN HB3 1 85 VAL H . . 4.180 3.078 2.332 4.277 0.097 7 0 "[ . 1 . 2]" 1
748 1 84 GLN QG 1 85 VAL H . . 4.280 3.379 2.313 4.069 . 0 0 "[ . 1 . 2]" 1
749 1 84 GLN QG 1 85 VAL MG2 . . 3.590 2.460 1.907 3.092 . 0 0 "[ . 1 . 2]" 1
750 1 85 VAL H 1 85 VAL HB . . 3.620 2.688 2.616 2.810 . 0 0 "[ . 1 . 2]" 1
751 1 85 VAL H 1 85 VAL MG1 . . 4.380 3.903 3.854 3.958 . 0 0 "[ . 1 . 2]" 1
752 1 85 VAL H 1 85 VAL MG2 . . 3.490 2.687 2.576 2.842 . 0 0 "[ . 1 . 2]" 1
753 1 85 VAL HA 1 85 VAL MG1 . . 3.290 2.352 2.293 2.415 . 0 0 "[ . 1 . 2]" 1
754 1 85 VAL HA 1 85 VAL MG2 . . 3.100 2.431 2.359 2.498 . 0 0 "[ . 1 . 2]" 1
755 1 85 VAL HA 1 86 VAL H . . 3.130 2.289 2.257 2.355 . 0 0 "[ . 1 . 2]" 1
756 1 85 VAL MG1 1 86 VAL H . . 3.510 2.599 2.464 2.756 . 0 0 "[ . 1 . 2]" 1
757 1 85 VAL MG2 1 86 VAL H . . 4.210 4.180 4.071 4.239 0.029 3 0 "[ . 1 . 2]" 1
758 1 86 VAL H 1 86 VAL HB . . 3.640 2.682 2.581 2.879 . 0 0 "[ . 1 . 2]" 1
759 1 86 VAL H 1 86 VAL MG2 . . 3.510 2.503 2.251 2.706 . 0 0 "[ . 1 . 2]" 1
760 1 86 VAL HA 1 86 VAL MG1 . . 3.300 2.292 2.221 2.360 . 0 0 "[ . 1 . 2]" 1
761 1 86 VAL HA 1 86 VAL MG2 . . 3.450 2.528 2.463 2.602 . 0 0 "[ . 1 . 2]" 1
762 1 86 VAL HA 1 87 HIS H . . 3.110 2.264 2.213 2.318 . 0 0 "[ . 1 . 2]" 1
763 1 86 VAL HB 1 87 HIS H . . 5.020 3.869 3.557 4.074 . 0 0 "[ . 1 . 2]" 1
764 1 86 VAL HB 1 88 LEU H . . 5.500 4.829 4.609 5.122 . 0 0 "[ . 1 . 2]" 1
765 1 86 VAL MG1 1 87 HIS H . . 3.520 2.351 2.031 2.678 . 0 0 "[ . 1 . 2]" 1
766 1 87 HIS H 1 87 HIS QB . . 3.500 2.480 2.333 2.637 . 0 0 "[ . 1 . 2]" 1
767 1 87 HIS HA 1 88 LEU H . . 3.190 2.146 2.024 2.243 . 0 0 "[ . 1 . 2]" 1
768 1 87 HIS QB 1 88 LEU H . . 4.560 3.457 3.146 3.959 . 0 0 "[ . 1 . 2]" 1
769 1 88 LEU H 1 88 LEU HB2 . . 3.720 2.650 2.564 2.792 . 0 0 "[ . 1 . 2]" 1
770 1 88 LEU H 1 88 LEU MD2 . . 4.050 3.891 3.702 4.056 0.006 17 0 "[ . 1 . 2]" 1
771 1 88 LEU HA 1 88 LEU MD2 . . 3.200 2.165 2.117 2.263 . 0 0 "[ . 1 . 2]" 1
772 1 88 LEU HA 1 89 LEU H . . 3.160 2.191 2.152 2.241 . 0 0 "[ . 1 . 2]" 1
773 1 88 LEU HB2 1 90 LEU MD1 . . 3.800 2.335 2.121 2.571 . 0 0 "[ . 1 . 2]" 1
774 1 88 LEU HB3 1 88 LEU MD1 . . 3.360 2.587 2.529 2.669 . 0 0 "[ . 1 . 2]" 1
775 1 88 LEU HB3 1 88 LEU MD2 . . 3.040 2.457 2.376 2.529 . 0 0 "[ . 1 . 2]" 1
776 1 88 LEU HB3 1 90 LEU MD1 . . 4.210 2.278 2.162 2.388 . 0 0 "[ . 1 . 2]" 1
777 1 88 LEU MD1 1 90 LEU MD1 . . 3.750 3.066 2.898 3.240 . 0 0 "[ . 1 . 2]" 1
778 1 88 LEU MD2 1 89 LEU H . . 4.440 3.671 3.533 3.832 . 0 0 "[ . 1 . 2]" 1
779 1 89 LEU H 1 89 LEU HB3 . . 3.890 2.855 2.593 3.653 . 0 0 "[ . 1 . 2]" 1
780 1 89 LEU H 1 90 LEU MD1 . . 4.720 3.508 3.303 3.630 . 0 0 "[ . 1 . 2]" 1
781 1 89 LEU HA 1 89 LEU QD . . 2.980 2.023 1.959 2.163 . 0 0 "[ . 1 . 2]" 1
782 1 89 LEU HA 1 90 LEU H . . 3.540 2.187 2.036 2.276 . 0 0 "[ . 1 . 2]" 1
783 1 89 LEU HA 1 90 LEU MD1 . . 4.500 2.959 2.835 3.092 . 0 0 "[ . 1 . 2]" 1
784 1 89 LEU HB3 1 89 LEU QD . . 3.180 2.349 2.312 2.424 . 0 0 "[ . 1 . 2]" 1
785 1 89 LEU QD 1 90 LEU H . . 3.630 2.782 2.268 3.769 0.139 16 0 "[ . 1 . 2]" 1
786 1 89 LEU HG 1 90 LEU H . . 3.960 3.229 3.018 3.899 . 0 0 "[ . 1 . 2]" 1
787 1 90 LEU H 1 90 LEU HB2 . . 3.960 2.879 2.807 2.984 . 0 0 "[ . 1 . 2]" 1
788 1 90 LEU H 1 90 LEU MD1 . . 4.070 2.719 2.614 2.924 . 0 0 "[ . 1 . 2]" 1
789 1 90 LEU HA 1 90 LEU MD1 . . 4.260 3.470 3.308 3.580 . 0 0 "[ . 1 . 2]" 1
790 1 90 LEU HA 1 90 LEU MD2 . . 3.700 3.483 3.416 3.555 . 0 0 "[ . 1 . 2]" 1
791 1 90 LEU HA 1 90 LEU HG . . 3.920 2.443 2.369 2.535 . 0 0 "[ . 1 . 2]" 1
792 1 90 LEU HA 1 91 GLU H . . 3.350 2.334 2.261 2.425 . 0 0 "[ . 1 . 2]" 1
793 1 90 LEU HB2 1 90 LEU MD1 . . 3.450 2.352 2.295 2.460 . 0 0 "[ . 1 . 2]" 1
794 1 90 LEU HB2 1 91 GLU H . . 4.440 3.703 3.599 3.777 . 0 0 "[ . 1 . 2]" 1
795 1 90 LEU HB3 1 91 GLU H . . 3.870 2.517 2.423 2.606 . 0 0 "[ . 1 . 2]" 1
796 1 91 GLU H 1 91 GLU HB2 . . 4.000 3.106 2.498 3.973 . 0 0 "[ . 1 . 2]" 1
797 1 91 GLU H 1 91 GLU QB . . 3.470 2.504 2.324 3.164 . 0 0 "[ . 1 . 2]" 1
798 1 91 GLU H 1 91 GLU HB3 . . 4.000 2.690 2.426 3.688 . 0 0 "[ . 1 . 2]" 1
799 1 91 GLU HA 1 91 GLU HG2 . . 4.080 3.089 2.587 3.664 . 0 0 "[ . 1 . 2]" 1
800 1 91 GLU HA 1 91 GLU QG . . 3.360 2.565 2.335 3.283 . 0 0 "[ . 1 . 2]" 1
801 1 91 GLU HA 1 91 GLU HG3 . . 4.080 2.751 2.585 3.708 . 0 0 "[ . 1 . 2]" 1
802 1 91 GLU HA 1 92 LYS H . . 3.280 2.222 2.092 2.357 . 0 0 "[ . 1 . 2]" 1
803 1 91 GLU HG2 1 92 LYS H . . 4.390 3.036 2.647 4.516 0.126 20 0 "[ . 1 . 2]" 1
804 1 91 GLU HG3 1 92 LYS H . . 4.390 3.422 3.056 4.612 0.222 7 0 "[ . 1 . 2]" 1
805 1 92 LYS H 1 92 LYS QB . . 3.860 2.261 1.940 2.488 . 0 0 "[ . 1 . 2]" 1
806 1 92 LYS H 1 92 LYS QG . . 4.970 2.867 2.357 3.557 . 0 0 "[ . 1 . 2]" 1
807 1 92 LYS HA 1 92 LYS HD2 . . 4.230 3.406 2.777 4.253 0.023 6 0 "[ . 1 . 2]" 1
808 1 92 LYS HA 1 92 LYS QD . . 3.460 2.385 1.876 3.538 0.078 13 0 "[ . 1 . 2]" 1
809 1 92 LYS HA 1 92 LYS HD3 . . 4.230 2.447 1.901 3.790 . 0 0 "[ . 1 . 2]" 1
810 1 92 LYS HA 1 92 LYS QE . . 4.230 3.785 2.046 4.245 0.015 16 0 "[ . 1 . 2]" 1
811 1 92 LYS HA 1 93 GLY H . . 3.290 2.116 1.963 2.297 . 0 0 "[ . 1 . 2]" 1
812 1 92 LYS QD 1 93 GLY H . . 4.850 2.706 1.921 4.213 . 0 0 "[ . 1 . 2]" 1
813 1 92 LYS QE 1 92 LYS HG2 . . 3.580 2.661 2.450 3.174 . 0 0 "[ . 1 . 2]" 1
814 1 92 LYS QE 1 92 LYS QG . . 3.130 2.382 2.199 2.906 . 0 0 "[ . 1 . 2]" 1
815 1 92 LYS QE 1 92 LYS HG3 . . 3.580 2.772 2.377 3.606 0.026 6 0 "[ . 1 . 2]" 1
816 1 92 LYS QG 1 93 GLY H . . 4.160 3.899 2.932 4.295 0.135 13 0 "[ . 1 . 2]" 1
817 1 92 LYS HG2 1 93 GLY H . . 4.870 4.256 2.989 4.641 . 0 0 "[ . 1 . 2]" 1
818 1 92 LYS HG3 1 93 GLY H . . 4.870 4.612 4.248 5.175 0.305 13 0 "[ . 1 . 2]" 1
819 1 93 GLY QA 1 94 GLN H . . 3.050 2.506 2.279 2.893 . 0 0 "[ . 1 . 2]" 1
820 1 94 GLN H 1 94 GLN HB2 . . 4.160 3.313 2.324 3.850 . 0 0 "[ . 1 . 2]" 1
821 1 94 GLN H 1 94 GLN QB . . 3.410 2.715 2.295 3.089 . 0 0 "[ . 1 . 2]" 1
822 1 94 GLN H 1 94 GLN HB3 . . 4.160 3.185 2.580 3.912 . 0 0 "[ . 1 . 2]" 1
823 1 94 GLN H 1 94 GLN QG . . 3.740 2.577 1.957 3.447 . 0 0 "[ . 1 . 2]" 1
824 1 94 GLN HA 1 94 GLN QG . . 3.660 3.157 2.427 3.632 . 0 0 "[ . 1 . 2]" 1
825 1 94 GLN QB 1 94 GLN QG . . 2.420 2.104 2.008 2.169 . 0 0 "[ . 1 . 2]" 1
826 1 95 SER HA 1 96 PRO HD2 . . 3.250 2.325 2.166 2.471 . 0 0 "[ . 1 . 2]" 1
827 1 95 SER HA 1 96 PRO HD3 . . 3.250 2.469 2.226 2.690 . 0 0 "[ . 1 . 2]" 1
828 1 96 PRO HA 1 97 THR H . . 3.310 2.507 2.129 3.455 0.145 15 0 "[ . 1 . 2]" 1
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