NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
645506 |
6tkt   |
50088 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tkt
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 1874
_Distance_constraint_stats_list.Viol_count 1361
_Distance_constraint_stats_list.Viol_total 711.204
_Distance_constraint_stats_list.Viol_max 0.307
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0261
_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 ALA 0.411 0.206 14 0 "[ . 1 . 2]"
1 3 MET 0.411 0.206 14 0 "[ . 1 . 2]"
1 4 ALA 0.091 0.040 11 0 "[ . 1 . 2]"
1 5 ASN 0.630 0.192 9 0 "[ . 1 . 2]"
1 6 PRO 0.496 0.192 9 0 "[ . 1 . 2]"
1 7 LYS 0.056 0.011 15 0 "[ . 1 . 2]"
1 8 THR 0.055 0.011 1 0 "[ . 1 . 2]"
1 9 ILE 0.121 0.011 16 0 "[ . 1 . 2]"
1 10 LYS 0.042 0.007 12 0 "[ . 1 . 2]"
1 11 ALA 0.165 0.016 12 0 "[ . 1 . 2]"
1 12 ALA 0.038 0.025 12 0 "[ . 1 . 2]"
1 13 ALA 0.020 0.010 17 0 "[ . 1 . 2]"
1 14 TYR 1.812 0.143 1 0 "[ . 1 . 2]"
1 15 ASN 0.471 0.066 12 0 "[ . 1 . 2]"
1 16 GLN 0.797 0.036 6 0 "[ . 1 . 2]"
1 17 ALA 0.531 0.036 6 0 "[ . 1 . 2]"
1 18 ARG 2.194 0.150 17 0 "[ . 1 . 2]"
1 19 SER 0.055 0.023 8 0 "[ . 1 . 2]"
1 20 THR 0.091 0.036 18 0 "[ . 1 . 2]"
1 21 LEU 1.830 0.086 17 0 "[ . 1 . 2]"
1 22 ALA 0.017 0.006 13 0 "[ . 1 . 2]"
1 23 ASP 0.080 0.030 17 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLY 0.944 0.065 6 0 "[ . 1 . 2]"
1 26 SER 1.351 0.068 17 0 "[ . 1 . 2]"
1 27 ARG 0.087 0.019 13 0 "[ . 1 . 2]"
1 28 THR 1.227 0.075 17 0 "[ . 1 . 2]"
1 29 ALA 1.962 0.119 16 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.037 0.037 19 0 "[ . 1 . 2]"
1 32 SER 0.026 0.012 20 0 "[ . 1 . 2]"
1 33 HIS 0.012 0.012 20 0 "[ . 1 . 2]"
1 34 PRO 1.325 0.106 12 0 "[ . 1 . 2]"
1 35 ILE 1.860 0.106 12 0 "[ . 1 . 2]"
1 36 HIS 0.067 0.025 16 0 "[ . 1 . 2]"
1 37 GLY 0.001 0.001 8 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 14 0 "[ . 1 . 2]"
1 40 ASP 0.057 0.011 1 0 "[ . 1 . 2]"
1 41 VAL 0.085 0.016 12 0 "[ . 1 . 2]"
1 42 PRO 0.077 0.014 19 0 "[ . 1 . 2]"
1 43 VAL 1.376 0.109 1 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.492 0.045 12 0 "[ . 1 . 2]"
1 46 GLY 1.073 0.070 12 0 "[ . 1 . 2]"
1 47 THR 1.280 0.109 1 0 "[ . 1 . 2]"
1 48 SER 0.005 0.005 12 0 "[ . 1 . 2]"
1 49 LEU 4.784 0.150 17 0 "[ . 1 . 2]"
1 50 LEU 1.920 0.127 1 0 "[ . 1 . 2]"
1 51 ALA 1.985 0.172 1 0 "[ . 1 . 2]"
1 52 ALA 0.155 0.020 6 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 1.754 0.060 12 0 "[ . 1 . 2]"
1 55 ASP 1.000 0.026 10 0 "[ . 1 . 2]"
1 56 GLU 0.981 0.075 17 0 "[ . 1 . 2]"
1 57 PHE 2.639 0.086 17 0 "[ . 1 . 2]"
1 58 ARG 0.227 0.030 13 0 "[ . 1 . 2]"
1 59 GLN 0.524 0.183 20 0 "[ . 1 . 2]"
1 60 ALA 0.100 0.056 20 0 "[ . 1 . 2]"
1 61 ASP 1.664 0.171 7 0 "[ . 1 . 2]"
1 62 LYS 0.107 0.030 18 0 "[ . 1 . 2]"
1 63 LYS 0.361 0.307 13 0 "[ . 1 . 2]"
1 64 LEU 0.609 0.307 13 0 "[ . 1 . 2]"
1 65 PRO 0.781 0.117 18 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.001 0.001 8 0 "[ . 1 . 2]"
1 68 ASP 0.814 0.117 18 0 "[ . 1 . 2]"
1 69 LYS 0.098 0.067 17 0 "[ . 1 . 2]"
1 70 LYS 0.662 0.086 10 0 "[ . 1 . 2]"
1 71 SER 0.000 0.000 18 0 "[ . 1 . 2]"
1 72 ASP 0.065 0.023 14 0 "[ . 1 . 2]"
1 73 MET 1.114 0.086 10 0 "[ . 1 . 2]"
1 74 SER 0.024 0.015 7 0 "[ . 1 . 2]"
1 75 ILE 0.614 0.043 20 0 "[ . 1 . 2]"
1 76 ALA 0.046 0.024 7 0 "[ . 1 . 2]"
1 77 HIS 2.981 0.171 7 0 "[ . 1 . 2]"
1 78 TYR 1.837 0.069 7 0 "[ . 1 . 2]"
1 79 ASN 0.042 0.024 7 0 "[ . 1 . 2]"
1 80 ALA 0.390 0.028 20 0 "[ . 1 . 2]"
1 81 VAL 3.556 0.146 10 0 "[ . 1 . 2]"
1 82 HIS 2.220 0.146 10 0 "[ . 1 . 2]"
1 83 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ALA 0.162 0.025 12 0 "[ . 1 . 2]"
1 85 ALA 2.012 0.082 1 0 "[ . 1 . 2]"
1 86 LYS 0.010 0.004 3 0 "[ . 1 . 2]"
1 87 THR 0.367 0.030 14 0 "[ . 1 . 2]"
1 88 MET 2.132 0.094 1 0 "[ . 1 . 2]"
1 89 GLY 0.359 0.036 5 0 "[ . 1 . 2]"
1 90 ILE 0.811 0.059 1 0 "[ . 1 . 2]"
1 91 ASP 0.089 0.020 1 0 "[ . 1 . 2]"
1 92 THR 0.208 0.019 15 0 "[ . 1 . 2]"
1 93 TRP 5.623 0.172 1 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 ALA HA 1 3 MET H . . 3.290 2.504 2.142 3.496 0.206 14 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 MET HA . . 4.510 4.072 3.668 4.362 . 0 0 "[ . 1 . 2]" 1
3 1 3 MET H 1 3 MET QB . . 3.630 2.802 2.180 3.373 . 0 0 "[ . 1 . 2]" 1
4 1 3 MET H 1 3 MET HG2 . . 5.460 3.687 2.054 5.146 . 0 0 "[ . 1 . 2]" 1
5 1 3 MET H 1 3 MET QG . . 4.680 2.964 2.043 4.245 . 0 0 "[ . 1 . 2]" 1
6 1 3 MET H 1 3 MET HG3 . . 5.460 3.442 2.190 5.002 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET HA 1 3 MET QG . . 3.690 2.611 2.018 3.366 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET HA 1 4 ALA H . . 2.970 2.359 2.140 2.739 . 0 0 "[ . 1 . 2]" 1
9 1 3 MET QB 1 4 ALA H . . 4.480 3.396 1.921 4.043 . 0 0 "[ . 1 . 2]" 1
10 1 3 MET HB2 1 4 ALA H . . 5.190 4.065 2.829 4.625 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET HB3 1 4 ALA H . . 5.190 3.784 1.950 4.647 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET QG 1 4 ALA H . . 4.740 4.002 2.083 4.522 . 0 0 "[ . 1 . 2]" 1
13 1 4 ALA H 1 4 ALA MB . . 3.120 2.848 2.726 2.911 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA H 1 5 ASN QB . . 5.340 5.281 5.114 5.380 0.040 11 0 "[ . 1 . 2]" 1
15 1 4 ALA HA 1 5 ASN H . . 2.940 2.178 2.141 2.286 . 0 0 "[ . 1 . 2]" 1
16 1 4 ALA HA 1 5 ASN QB . . 5.150 4.668 4.157 4.792 . 0 0 "[ . 1 . 2]" 1
17 1 4 ALA HA 1 5 ASN QD . . 5.340 4.245 3.238 5.351 0.011 1 0 "[ . 1 . 2]" 1
18 1 4 ALA MB 1 5 ASN H . . 3.580 3.378 2.916 3.613 0.033 11 0 "[ . 1 . 2]" 1
19 1 4 ALA MB 1 5 ASN HA . . 4.780 4.282 4.106 4.626 . 0 0 "[ . 1 . 2]" 1
20 1 4 ALA MB 1 5 ASN QB . . 5.340 5.039 4.725 5.217 . 0 0 "[ . 1 . 2]" 1
21 1 5 ASN H 1 5 ASN HB2 . . 3.660 2.999 2.213 3.543 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASN H 1 5 ASN QB . . 3.110 2.795 2.190 3.076 . 0 0 "[ . 1 . 2]" 1
23 1 5 ASN H 1 5 ASN HB3 . . 3.760 3.532 2.868 3.726 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN H 1 6 PRO HD2 . . 5.420 4.766 4.705 4.795 . 0 0 "[ . 1 . 2]" 1
25 1 5 ASN H 1 6 PRO HD3 . . 5.500 5.070 5.036 5.087 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASN H 1 43 VAL QG . . 5.440 4.509 4.299 4.638 . 0 0 "[ . 1 . 2]" 1
27 1 5 ASN H 1 43 VAL MG2 . . 5.500 4.940 4.779 5.101 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASN H 1 92 THR MG . . 5.500 4.824 3.529 5.518 0.018 7 0 "[ . 1 . 2]" 1
29 1 5 ASN HA 1 5 ASN HD22 . . 5.500 4.291 3.461 4.937 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASN HA 1 6 PRO HD2 . . 3.230 2.473 2.442 2.525 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN HA 1 6 PRO HD3 . . 3.150 2.331 2.316 2.356 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASN HA 1 6 PRO HG2 . . 4.650 4.573 4.547 4.616 . 0 0 "[ . 1 . 2]" 1
33 1 5 ASN HA 1 6 PRO QG . . 4.510 4.049 4.028 4.083 . 0 0 "[ . 1 . 2]" 1
34 1 5 ASN HA 1 43 VAL QG . . 5.440 3.922 3.666 4.438 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASN HA 1 90 ILE MG . . 5.500 3.603 3.023 4.026 . 0 0 "[ . 1 . 2]" 1
36 1 5 ASN HA 1 91 ASP H . . 4.360 3.275 2.863 3.954 . 0 0 "[ . 1 . 2]" 1
37 1 5 ASN QB 1 5 ASN QD . . 3.080 2.289 2.094 2.575 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASN QB 1 6 PRO HD2 . . 3.300 1.958 1.935 2.045 . 0 0 "[ . 1 . 2]" 1
39 1 5 ASN QB 1 6 PRO HD3 . . 3.860 3.220 3.166 3.403 . 0 0 "[ . 1 . 2]" 1
40 1 5 ASN QB 1 6 PRO HG2 . . 4.270 3.710 3.561 3.777 . 0 0 "[ . 1 . 2]" 1
41 1 5 ASN QB 1 6 PRO QG . . 5.080 3.530 3.408 3.583 . 0 0 "[ . 1 . 2]" 1
42 1 5 ASN QB 1 43 VAL HB . . 5.340 3.362 3.088 3.631 . 0 0 "[ . 1 . 2]" 1
43 1 5 ASN QB 1 43 VAL QG . . 3.490 1.932 1.812 2.129 . 0 0 "[ . 1 . 2]" 1
44 1 5 ASN QB 1 47 THR MG . . 4.620 3.747 3.532 3.958 . 0 0 "[ . 1 . 2]" 1
45 1 5 ASN QB 1 90 ILE HA . . 4.630 3.224 2.139 4.527 . 0 0 "[ . 1 . 2]" 1
46 1 5 ASN QB 1 90 ILE MD . . 5.340 4.102 3.762 4.325 . 0 0 "[ . 1 . 2]" 1
47 1 5 ASN QB 1 90 ILE HG12 . . 5.340 3.254 2.617 3.772 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASN QB 1 90 ILE QG . . 5.180 3.199 2.564 3.701 . 0 0 "[ . 1 . 2]" 1
49 1 5 ASN QB 1 90 ILE MG . . 4.730 2.542 1.947 3.539 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASN HB2 1 6 PRO HD2 . . 4.000 2.841 1.976 3.609 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASN HB2 1 43 VAL MG1 . . 5.730 3.113 2.347 3.941 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASN HB2 1 43 VAL MG2 . . 5.730 2.560 1.986 3.169 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN HB2 1 47 THR MG . . 5.500 4.516 4.129 4.851 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASN HB2 1 90 ILE MD . . 5.500 5.211 4.247 5.516 0.016 1 0 "[ . 1 . 2]" 1
55 1 5 ASN HB2 1 90 ILE MG . . 5.500 3.911 3.095 4.612 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASN HB3 1 6 PRO HD2 . . 4.000 2.149 1.964 2.761 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN HB3 1 43 VAL MG2 . . 5.730 2.296 1.941 3.315 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN HB3 1 47 THR MG . . 5.250 4.041 3.673 4.562 . 0 0 "[ . 1 . 2]" 1
59 1 5 ASN HB3 1 90 ILE MD . . 5.500 4.331 4.151 4.522 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASN HB3 1 90 ILE HG12 . . 5.500 3.389 2.948 3.864 . 0 0 "[ . 1 . 2]" 1
61 1 5 ASN HB3 1 90 ILE MG . . 5.500 2.584 1.964 3.779 . 0 0 "[ . 1 . 2]" 1
62 1 5 ASN QD 1 6 PRO HD2 . . 4.780 3.999 3.625 4.662 . 0 0 "[ . 1 . 2]" 1
63 1 5 ASN QD 1 6 PRO HD3 . . 5.340 4.682 4.201 5.532 0.192 9 0 "[ . 1 . 2]" 1
64 1 5 ASN QD 1 43 VAL QG . . 4.270 3.450 2.271 3.902 . 0 0 "[ . 1 . 2]" 1
65 1 5 ASN QD 1 47 THR MG . . 4.300 3.859 2.666 4.303 0.003 2 0 "[ . 1 . 2]" 1
66 1 5 ASN QD 1 90 ILE HA . . 5.340 3.787 3.290 4.619 . 0 0 "[ . 1 . 2]" 1
67 1 5 ASN QD 1 90 ILE HG12 . . 5.040 4.500 3.777 4.958 . 0 0 "[ . 1 . 2]" 1
68 1 5 ASN QD 1 90 ILE MG . . 4.140 2.301 1.884 2.661 . 0 0 "[ . 1 . 2]" 1
69 1 5 ASN QD 1 92 THR HB . . 4.830 3.510 1.929 4.433 . 0 0 "[ . 1 . 2]" 1
70 1 5 ASN QD 1 92 THR MG . . 4.720 2.865 1.874 3.822 . 0 0 "[ . 1 . 2]" 1
71 1 5 ASN QD 1 93 TRP HA . . 5.340 3.705 2.832 4.198 . 0 0 "[ . 1 . 2]" 1
72 1 5 ASN HD21 1 47 THR MG . . 5.250 4.322 2.992 4.943 . 0 0 "[ . 1 . 2]" 1
73 1 5 ASN HD21 1 90 ILE HA . . 5.500 3.924 3.336 5.377 . 0 0 "[ . 1 . 2]" 1
74 1 5 ASN HD21 1 90 ILE MG . . 5.440 2.419 1.897 3.120 . 0 0 "[ . 1 . 2]" 1
75 1 5 ASN HD21 1 92 THR HB . . 5.500 4.479 2.562 5.490 . 0 0 "[ . 1 . 2]" 1
76 1 5 ASN HD21 1 92 THR MG . . 5.330 3.664 2.107 4.725 . 0 0 "[ . 1 . 2]" 1
77 1 5 ASN HD22 1 47 THR MG . . 4.910 4.408 2.994 4.908 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASN HD22 1 90 ILE HA . . 5.500 5.322 4.244 5.519 0.019 19 0 "[ . 1 . 2]" 1
79 1 5 ASN HD22 1 90 ILE MG . . 4.940 3.324 2.131 3.652 . 0 0 "[ . 1 . 2]" 1
80 1 5 ASN HD22 1 92 THR HB . . 5.500 3.736 1.944 5.127 . 0 0 "[ . 1 . 2]" 1
81 1 5 ASN HD22 1 92 THR MG . . 4.600 3.028 1.904 4.132 . 0 0 "[ . 1 . 2]" 1
82 1 6 PRO HA 1 7 LYS H . . 2.990 2.313 2.166 2.638 . 0 0 "[ . 1 . 2]" 1
83 1 6 PRO HA 1 8 THR H . . 4.760 4.186 3.913 4.761 0.001 3 0 "[ . 1 . 2]" 1
84 1 6 PRO HA 1 43 VAL MG1 . . 5.500 5.335 5.004 5.507 0.007 18 0 "[ . 1 . 2]" 1
85 1 6 PRO HA 1 43 VAL QG . . 5.440 4.759 4.564 4.900 . 0 0 "[ . 1 . 2]" 1
86 1 6 PRO HA 1 43 VAL MG2 . . 5.500 5.363 5.040 5.502 0.002 9 0 "[ . 1 . 2]" 1
87 1 6 PRO HB2 1 7 LYS H . . 3.730 2.912 2.069 3.415 . 0 0 "[ . 1 . 2]" 1
88 1 6 PRO HB2 1 7 LYS HA . . 4.960 4.738 4.338 4.966 0.006 15 0 "[ . 1 . 2]" 1
89 1 6 PRO HB2 1 8 THR H . . 3.580 2.702 2.586 2.990 . 0 0 "[ . 1 . 2]" 1
90 1 6 PRO HB2 1 9 ILE MG . . 4.770 3.299 2.906 3.770 . 0 0 "[ . 1 . 2]" 1
91 1 6 PRO HB2 1 43 VAL MG1 . . 5.500 5.226 4.934 5.461 . 0 0 "[ . 1 . 2]" 1
92 1 6 PRO HB2 1 43 VAL QG . . 5.440 4.518 4.267 4.750 . 0 0 "[ . 1 . 2]" 1
93 1 6 PRO HB2 1 43 VAL MG2 . . 5.270 4.953 4.532 5.262 . 0 0 "[ . 1 . 2]" 1
94 1 6 PRO HB3 1 7 LYS H . . 4.430 3.631 3.207 3.921 . 0 0 "[ . 1 . 2]" 1
95 1 6 PRO HB3 1 9 ILE MG . . 5.340 4.127 3.737 4.548 . 0 0 "[ . 1 . 2]" 1
96 1 6 PRO HB3 1 43 VAL QG . . 5.440 5.096 4.810 5.448 0.008 9 0 "[ . 1 . 2]" 1
97 1 6 PRO HD2 1 43 VAL QG . . 3.880 2.483 1.977 3.185 . 0 0 "[ . 1 . 2]" 1
98 1 6 PRO HD2 1 43 VAL MG2 . . 4.410 2.500 1.982 3.222 . 0 0 "[ . 1 . 2]" 1
99 1 6 PRO HD2 1 47 THR MG . . 5.500 4.742 4.141 5.384 . 0 0 "[ . 1 . 2]" 1
100 1 6 PRO HD2 1 90 ILE MD . . 5.200 4.198 3.668 4.623 . 0 0 "[ . 1 . 2]" 1
101 1 6 PRO HD2 1 90 ILE HG12 . . 5.500 2.738 2.197 3.162 . 0 0 "[ . 1 . 2]" 1
102 1 6 PRO HD2 1 90 ILE HG13 . . 5.500 3.959 3.466 4.470 . 0 0 "[ . 1 . 2]" 1
103 1 6 PRO HD2 1 91 ASP H . . 5.500 4.215 3.903 4.630 . 0 0 "[ . 1 . 2]" 1
104 1 6 PRO HD3 1 43 VAL QG . . 4.610 4.007 3.568 4.628 0.018 19 0 "[ . 1 . 2]" 1
105 1 6 PRO HD3 1 90 ILE H . . 5.500 4.818 4.160 5.218 . 0 0 "[ . 1 . 2]" 1
106 1 6 PRO HD3 1 91 ASP H . . 5.500 4.149 3.618 4.912 . 0 0 "[ . 1 . 2]" 1
107 1 6 PRO QG 1 43 VAL QG . . 5.230 3.028 2.620 3.498 . 0 0 "[ . 1 . 2]" 1
108 1 6 PRO HG2 1 43 VAL MG1 . . 5.050 4.352 4.006 4.869 . 0 0 "[ . 1 . 2]" 1
109 1 6 PRO HG2 1 43 VAL MG2 . . 5.050 3.188 2.716 3.712 . 0 0 "[ . 1 . 2]" 1
110 1 6 PRO HG3 1 43 VAL QG . . 4.790 4.172 3.694 4.793 0.003 9 0 "[ . 1 . 2]" 1
111 1 7 LYS H 1 7 LYS HB2 . . 4.120 2.477 2.083 3.579 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS H 1 7 LYS QB . . 3.380 2.351 2.065 2.628 . 0 0 "[ . 1 . 2]" 1
113 1 7 LYS H 1 7 LYS HB3 . . 4.200 3.456 2.700 3.687 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS H 1 7 LYS HG2 . . 4.250 3.321 1.974 4.252 0.002 14 0 "[ . 1 . 2]" 1
115 1 7 LYS H 1 7 LYS QG . . 3.790 2.623 1.941 3.371 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS H 1 7 LYS HG3 . . 4.250 3.026 2.079 3.781 . 0 0 "[ . 1 . 2]" 1
117 1 7 LYS H 1 8 THR H . . 3.360 2.564 2.119 2.792 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS HA 1 7 LYS QG . . 3.700 2.461 2.073 3.372 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HA 1 43 VAL MG1 . . 4.360 3.476 2.535 3.729 . 0 0 "[ . 1 . 2]" 1
120 1 7 LYS HA 1 43 VAL QG . . 3.650 3.434 2.524 3.661 0.011 15 0 "[ . 1 . 2]" 1
121 1 7 LYS QB 1 8 THR H . . 3.830 2.757 2.464 3.365 . 0 0 "[ . 1 . 2]" 1
122 1 7 LYS QB 1 8 THR HA . . 5.340 4.333 4.167 4.607 . 0 0 "[ . 1 . 2]" 1
123 1 7 LYS QB 1 8 THR HB . . 5.340 4.999 4.833 5.344 0.004 1 0 "[ . 1 . 2]" 1
124 1 7 LYS QB 1 8 THR MG . . 3.670 2.879 2.613 3.577 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HB2 1 8 THR H . . 4.570 2.896 2.556 3.588 . 0 0 "[ . 1 . 2]" 1
126 1 7 LYS HB2 1 8 THR HA . . 5.500 4.980 4.642 5.465 . 0 0 "[ . 1 . 2]" 1
127 1 7 LYS HB2 1 8 THR MG . . 4.490 3.616 2.731 4.341 . 0 0 "[ . 1 . 2]" 1
128 1 7 LYS HB3 1 8 THR H . . 4.570 3.578 3.129 4.070 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS HB3 1 8 THR MG . . 4.490 3.210 2.665 4.238 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS QG 1 8 THR H . . 4.610 4.013 1.936 4.522 . 0 0 "[ . 1 . 2]" 1
131 1 8 THR H 1 8 THR MG . . 3.670 3.280 2.729 3.654 . 0 0 "[ . 1 . 2]" 1
132 1 8 THR H 1 9 ILE H . . 4.810 4.361 4.271 4.483 . 0 0 "[ . 1 . 2]" 1
133 1 8 THR H 1 9 ILE HA . . 5.460 4.732 4.629 4.978 . 0 0 "[ . 1 . 2]" 1
134 1 8 THR HA 1 8 THR MG . . 3.140 2.205 2.027 2.378 . 0 0 "[ . 1 . 2]" 1
135 1 8 THR HA 1 9 ILE H . . 3.280 2.317 2.178 2.563 . 0 0 "[ . 1 . 2]" 1
136 1 8 THR HA 1 9 ILE HG13 . . 4.910 4.085 3.961 4.376 . 0 0 "[ . 1 . 2]" 1
137 1 8 THR HA 1 40 ASP QB . . 5.340 4.708 4.337 5.344 0.004 7 0 "[ . 1 . 2]" 1
138 1 8 THR HA 1 41 VAL MG2 . . 5.480 4.982 4.706 5.337 . 0 0 "[ . 1 . 2]" 1
139 1 8 THR HA 1 42 PRO HA . . 3.520 2.338 2.111 2.652 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR HA 1 42 PRO HB3 . . 5.500 4.488 4.198 4.857 . 0 0 "[ . 1 . 2]" 1
141 1 8 THR HA 1 43 VAL H . . 3.760 2.949 2.349 3.265 . 0 0 "[ . 1 . 2]" 1
142 1 8 THR HA 1 43 VAL HA . . 4.470 4.339 3.971 4.475 0.005 15 0 "[ . 1 . 2]" 1
143 1 8 THR HA 1 43 VAL HB . . 5.500 4.287 3.747 4.616 . 0 0 "[ . 1 . 2]" 1
144 1 8 THR HB 1 9 ILE H . . 3.210 2.681 2.059 3.103 . 0 0 "[ . 1 . 2]" 1
145 1 8 THR HB 1 40 ASP HA . . 5.340 5.020 4.573 5.336 . 0 0 "[ . 1 . 2]" 1
146 1 8 THR HB 1 40 ASP HB2 . . 4.030 2.645 2.210 3.139 . 0 0 "[ . 1 . 2]" 1
147 1 8 THR HB 1 40 ASP QB . . 3.420 2.616 2.193 3.092 . 0 0 "[ . 1 . 2]" 1
148 1 8 THR HB 1 40 ASP HB3 . . 4.790 4.138 3.683 4.658 . 0 0 "[ . 1 . 2]" 1
149 1 8 THR HB 1 41 VAL H . . 4.390 4.239 3.873 4.395 0.005 18 0 "[ . 1 . 2]" 1
150 1 8 THR HB 1 41 VAL MG2 . . 5.500 4.960 4.684 5.226 . 0 0 "[ . 1 . 2]" 1
151 1 8 THR HB 1 42 PRO HA . . 4.320 4.025 3.254 4.325 0.005 14 0 "[ . 1 . 2]" 1
152 1 8 THR MG 1 9 ILE H . . 3.780 3.558 2.929 3.781 0.001 18 0 "[ . 1 . 2]" 1
153 1 8 THR MG 1 40 ASP HB2 . . 4.790 3.556 2.924 3.921 . 0 0 "[ . 1 . 2]" 1
154 1 8 THR MG 1 40 ASP QB . . 4.070 3.471 2.883 3.791 . 0 0 "[ . 1 . 2]" 1
155 1 8 THR MG 1 40 ASP HB3 . . 5.200 4.857 4.381 5.211 0.011 1 0 "[ . 1 . 2]" 1
156 1 8 THR MG 1 41 VAL H . . 5.460 4.748 3.853 5.151 . 0 0 "[ . 1 . 2]" 1
157 1 8 THR MG 1 41 VAL HA . . 4.870 4.377 3.571 4.852 . 0 0 "[ . 1 . 2]" 1
158 1 8 THR MG 1 42 PRO HA . . 3.290 2.448 1.985 3.053 . 0 0 "[ . 1 . 2]" 1
159 1 8 THR MG 1 42 PRO HB3 . . 5.160 3.527 3.025 4.082 . 0 0 "[ . 1 . 2]" 1
160 1 8 THR MG 1 43 VAL H . . 4.450 3.932 3.513 4.384 . 0 0 "[ . 1 . 2]" 1
161 1 9 ILE H 1 9 ILE HB . . 4.100 3.765 3.702 3.887 . 0 0 "[ . 1 . 2]" 1
162 1 9 ILE H 1 9 ILE MD . . 4.090 3.783 3.677 3.981 . 0 0 "[ . 1 . 2]" 1
163 1 9 ILE H 1 9 ILE HG12 . . 3.830 2.861 2.654 3.193 . 0 0 "[ . 1 . 2]" 1
164 1 9 ILE H 1 9 ILE HG13 . . 4.050 2.110 1.966 2.387 . 0 0 "[ . 1 . 2]" 1
165 1 9 ILE H 1 40 ASP HA . . 5.430 5.211 4.521 5.441 0.011 16 0 "[ . 1 . 2]" 1
166 1 9 ILE H 1 40 ASP QB . . 4.720 3.765 3.184 4.231 . 0 0 "[ . 1 . 2]" 1
167 1 9 ILE H 1 41 VAL MG2 . . 4.420 3.366 3.148 3.612 . 0 0 "[ . 1 . 2]" 1
168 1 9 ILE H 1 42 PRO HA . . 4.520 3.560 3.154 3.975 . 0 0 "[ . 1 . 2]" 1
169 1 9 ILE H 1 43 VAL H . . 5.000 4.257 3.769 4.878 . 0 0 "[ . 1 . 2]" 1
170 1 9 ILE HA 1 9 ILE MD . . 4.120 4.079 4.037 4.125 0.005 1 0 "[ . 1 . 2]" 1
171 1 9 ILE HA 1 9 ILE MG . . 3.190 2.164 2.119 2.227 . 0 0 "[ . 1 . 2]" 1
172 1 9 ILE HA 1 10 LYS H . . 3.230 2.161 2.144 2.280 . 0 0 "[ . 1 . 2]" 1
173 1 9 ILE HA 1 13 ALA MB . . 5.430 4.435 4.183 4.720 . 0 0 "[ . 1 . 2]" 1
174 1 9 ILE HB 1 9 ILE MD . . 3.390 2.202 2.072 2.264 . 0 0 "[ . 1 . 2]" 1
175 1 9 ILE HB 1 10 LYS H . . 3.490 3.217 2.693 3.327 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE HB 1 41 VAL MG2 . . 4.260 4.063 3.840 4.241 . 0 0 "[ . 1 . 2]" 1
177 1 9 ILE HB 1 46 GLY H . . 5.340 5.342 5.334 5.347 0.007 12 0 "[ . 1 . 2]" 1
178 1 9 ILE HB 1 46 GLY HA3 . . 4.660 4.440 4.292 4.581 . 0 0 "[ . 1 . 2]" 1
179 1 9 ILE MD 1 10 LYS H . . 5.100 4.535 4.165 4.681 . 0 0 "[ . 1 . 2]" 1
180 1 9 ILE MD 1 14 TYR HA . . 4.780 3.970 3.749 4.208 . 0 0 "[ . 1 . 2]" 1
181 1 9 ILE MD 1 14 TYR HB2 . . 3.740 3.050 2.575 3.317 . 0 0 "[ . 1 . 2]" 1
182 1 9 ILE MD 1 41 VAL H . . 5.500 4.113 3.918 4.385 . 0 0 "[ . 1 . 2]" 1
183 1 9 ILE MD 1 41 VAL MG2 . . 3.430 2.179 1.968 2.466 . 0 0 "[ . 1 . 2]" 1
184 1 9 ILE MD 1 45 TYR H . . 4.630 4.129 3.939 4.339 . 0 0 "[ . 1 . 2]" 1
185 1 9 ILE MD 1 45 TYR HB2 . . 5.210 4.180 4.029 4.407 . 0 0 "[ . 1 . 2]" 1
186 1 9 ILE MD 1 45 TYR HB3 . . 4.170 2.750 2.585 2.973 . 0 0 "[ . 1 . 2]" 1
187 1 9 ILE MD 1 46 GLY H . . 3.710 2.156 2.003 2.367 . 0 0 "[ . 1 . 2]" 1
188 1 9 ILE MD 1 46 GLY HA2 . . 3.550 2.623 2.435 2.785 . 0 0 "[ . 1 . 2]" 1
189 1 9 ILE MD 1 46 GLY HA3 . . 3.390 1.995 1.880 2.146 . 0 0 "[ . 1 . 2]" 1
190 1 9 ILE MD 1 47 THR H . . 5.500 4.028 3.814 4.176 . 0 0 "[ . 1 . 2]" 1
191 1 9 ILE MD 1 48 SER H . . 5.500 5.421 5.343 5.505 0.005 12 0 "[ . 1 . 2]" 1
192 1 9 ILE MD 1 88 MET HA . . 4.600 3.854 3.581 4.175 . 0 0 "[ . 1 . 2]" 1
193 1 9 ILE MD 1 88 MET QB . . 5.000 3.297 2.882 3.622 . 0 0 "[ . 1 . 2]" 1
194 1 9 ILE MD 1 88 MET HG2 . . 4.460 2.511 2.330 2.710 . 0 0 "[ . 1 . 2]" 1
195 1 9 ILE MD 1 88 MET HG3 . . 5.500 4.062 3.908 4.287 . 0 0 "[ . 1 . 2]" 1
196 1 9 ILE HG12 1 41 VAL MG2 . . 4.720 3.334 3.228 3.463 . 0 0 "[ . 1 . 2]" 1
197 1 9 ILE HG12 1 43 VAL HA . . 4.500 2.301 2.000 2.622 . 0 0 "[ . 1 . 2]" 1
198 1 9 ILE HG12 1 45 TYR H . . 5.400 4.522 4.365 4.625 . 0 0 "[ . 1 . 2]" 1
199 1 9 ILE HG12 1 46 GLY H . . 5.500 3.111 2.935 3.313 . 0 0 "[ . 1 . 2]" 1
200 1 9 ILE HG13 1 10 LYS H . . 5.130 4.515 4.220 4.581 . 0 0 "[ . 1 . 2]" 1
201 1 9 ILE HG13 1 41 VAL H . . 5.500 3.372 3.164 3.560 . 0 0 "[ . 1 . 2]" 1
202 1 9 ILE HG13 1 41 VAL MG2 . . 4.100 2.056 1.967 2.206 . 0 0 "[ . 1 . 2]" 1
203 1 9 ILE HG13 1 43 VAL H . . 5.500 4.932 4.671 5.145 . 0 0 "[ . 1 . 2]" 1
204 1 9 ILE HG13 1 43 VAL HA . . 4.820 3.930 3.666 4.182 . 0 0 "[ . 1 . 2]" 1
205 1 9 ILE HG13 1 46 GLY HA3 . . 5.200 4.482 4.236 4.809 . 0 0 "[ . 1 . 2]" 1
206 1 9 ILE MG 1 10 LYS H . . 3.820 3.778 3.622 3.827 0.007 12 0 "[ . 1 . 2]" 1
207 1 9 ILE MG 1 43 VAL H . . 5.400 4.030 3.598 4.495 . 0 0 "[ . 1 . 2]" 1
208 1 9 ILE MG 1 43 VAL HA . . 3.610 2.487 2.176 2.744 . 0 0 "[ . 1 . 2]" 1
209 1 9 ILE MG 1 88 MET HA . . 3.950 2.942 2.343 3.322 . 0 0 "[ . 1 . 2]" 1
210 1 9 ILE MG 1 88 MET HB2 . . 4.800 3.880 3.559 4.182 . 0 0 "[ . 1 . 2]" 1
211 1 9 ILE MG 1 88 MET QB . . 4.540 2.318 1.970 2.647 . 0 0 "[ . 1 . 2]" 1
212 1 9 ILE MG 1 88 MET HB3 . . 4.800 2.337 1.980 2.678 . 0 0 "[ . 1 . 2]" 1
213 1 9 ILE MG 1 88 MET HG3 . . 5.500 4.527 3.880 4.976 . 0 0 "[ . 1 . 2]" 1
214 1 9 ILE MG 1 89 GLY H . . 5.200 4.699 4.521 4.953 . 0 0 "[ . 1 . 2]" 1
215 1 9 ILE MG 1 89 GLY QA . . 5.340 4.066 3.836 4.361 . 0 0 "[ . 1 . 2]" 1
216 1 10 LYS H 1 10 LYS HB2 . . 4.180 2.157 2.060 2.491 . 0 0 "[ . 1 . 2]" 1
217 1 10 LYS H 1 10 LYS QB . . 3.480 2.133 2.040 2.448 . 0 0 "[ . 1 . 2]" 1
218 1 10 LYS H 1 10 LYS HB3 . . 4.180 3.402 3.284 3.590 . 0 0 "[ . 1 . 2]" 1
219 1 10 LYS H 1 10 LYS QD . . 5.340 3.391 2.694 4.435 . 0 0 "[ . 1 . 2]" 1
220 1 10 LYS H 1 10 LYS HG2 . . 4.550 3.769 2.199 4.524 . 0 0 "[ . 1 . 2]" 1
221 1 10 LYS H 1 10 LYS QG . . 3.760 3.294 2.173 3.767 0.007 19 0 "[ . 1 . 2]" 1
222 1 10 LYS H 1 10 LYS HG3 . . 4.550 3.853 3.400 4.055 . 0 0 "[ . 1 . 2]" 1
223 1 10 LYS H 1 13 ALA H . . 5.360 4.638 4.416 4.848 . 0 0 "[ . 1 . 2]" 1
224 1 10 LYS H 1 13 ALA MB . . 3.700 3.583 3.368 3.706 0.006 5 0 "[ . 1 . 2]" 1
225 1 10 LYS HA 1 10 LYS HD2 . . 4.170 3.338 2.134 4.012 . 0 0 "[ . 1 . 2]" 1
226 1 10 LYS HA 1 10 LYS QD . . 3.510 2.701 2.071 3.097 . 0 0 "[ . 1 . 2]" 1
227 1 10 LYS HA 1 10 LYS HD3 . . 4.170 3.064 2.118 3.844 . 0 0 "[ . 1 . 2]" 1
228 1 10 LYS HA 1 10 LYS HG2 . . 4.200 3.087 2.244 3.479 . 0 0 "[ . 1 . 2]" 1
229 1 10 LYS HA 1 10 LYS QG . . 3.690 2.254 2.035 2.745 . 0 0 "[ . 1 . 2]" 1
230 1 10 LYS HA 1 10 LYS HG3 . . 4.170 2.728 2.051 3.761 . 0 0 "[ . 1 . 2]" 1
231 1 10 LYS HA 1 11 ALA H . . 3.090 2.173 2.150 2.205 . 0 0 "[ . 1 . 2]" 1
232 1 10 LYS HA 1 11 ALA MB . . 4.210 4.003 3.958 4.043 . 0 0 "[ . 1 . 2]" 1
233 1 10 LYS HA 1 12 ALA H . . 4.720 3.998 3.921 4.085 . 0 0 "[ . 1 . 2]" 1
234 1 10 LYS HA 1 13 ALA H . . 5.020 4.607 4.557 4.704 . 0 0 "[ . 1 . 2]" 1
235 1 10 LYS HA 1 13 ALA MB . . 5.400 4.694 4.593 4.843 . 0 0 "[ . 1 . 2]" 1
236 1 10 LYS HA 1 40 ASP HA . . 3.660 3.334 2.975 3.602 . 0 0 "[ . 1 . 2]" 1
237 1 10 LYS HA 1 40 ASP HB2 . . 5.500 3.774 3.043 4.292 . 0 0 "[ . 1 . 2]" 1
238 1 10 LYS HA 1 40 ASP QB . . 4.730 2.995 2.224 3.416 . 0 0 "[ . 1 . 2]" 1
239 1 10 LYS HA 1 40 ASP HB3 . . 5.500 3.146 2.277 3.665 . 0 0 "[ . 1 . 2]" 1
240 1 10 LYS QB 1 11 ALA H . . 3.800 3.271 2.934 3.488 . 0 0 "[ . 1 . 2]" 1
241 1 10 LYS QB 1 12 ALA H . . 3.720 2.758 2.568 2.957 . 0 0 "[ . 1 . 2]" 1
242 1 10 LYS QB 1 13 ALA H . . 3.600 2.716 2.536 2.896 . 0 0 "[ . 1 . 2]" 1
243 1 10 LYS HB2 1 13 ALA H . . 4.170 3.655 3.043 3.980 . 0 0 "[ . 1 . 2]" 1
244 1 10 LYS HB3 1 12 ALA H . . 3.970 2.789 2.589 2.991 . 0 0 "[ . 1 . 2]" 1
245 1 10 LYS HB3 1 13 ALA H . . 3.860 2.857 2.572 3.527 . 0 0 "[ . 1 . 2]" 1
246 1 10 LYS QD 1 11 ALA H . . 5.340 4.034 2.436 4.815 . 0 0 "[ . 1 . 2]" 1
247 1 10 LYS QD 1 40 ASP HA . . 5.340 4.917 3.853 5.342 0.002 3 0 "[ . 1 . 2]" 1
248 1 10 LYS QD 1 40 ASP HB2 . . 5.340 4.731 3.979 5.116 . 0 0 "[ . 1 . 2]" 1
249 1 10 LYS QD 1 40 ASP QB . . 5.180 3.604 2.818 4.009 . 0 0 "[ . 1 . 2]" 1
250 1 10 LYS QD 1 40 ASP HB3 . . 5.340 3.744 2.882 4.242 . 0 0 "[ . 1 . 2]" 1
251 1 10 LYS QE 1 10 LYS QG . . 2.950 2.153 1.991 2.316 . 0 0 "[ . 1 . 2]" 1
252 1 10 LYS QE 1 12 ALA H . . 5.500 5.152 4.377 5.501 0.001 19 0 "[ . 1 . 2]" 1
253 1 10 LYS QG 1 40 ASP QB . . 4.890 3.720 2.778 4.429 . 0 0 "[ . 1 . 2]" 1
254 1 11 ALA H 1 11 ALA MB . . 3.080 2.160 2.034 2.234 . 0 0 "[ . 1 . 2]" 1
255 1 11 ALA H 1 12 ALA HA . . 5.500 5.359 5.310 5.381 . 0 0 "[ . 1 . 2]" 1
256 1 11 ALA H 1 13 ALA H . . 5.060 4.320 4.228 4.451 . 0 0 "[ . 1 . 2]" 1
257 1 11 ALA H 1 35 ILE MD . . 5.500 5.103 4.786 5.505 0.005 18 0 "[ . 1 . 2]" 1
258 1 11 ALA H 1 40 ASP HA . . 3.620 2.853 2.427 3.201 . 0 0 "[ . 1 . 2]" 1
259 1 11 ALA H 1 40 ASP HB2 . . 5.500 4.665 4.160 5.138 . 0 0 "[ . 1 . 2]" 1
260 1 11 ALA H 1 40 ASP QB . . 4.750 3.745 3.291 4.173 . 0 0 "[ . 1 . 2]" 1
261 1 11 ALA H 1 40 ASP HB3 . . 5.500 3.948 3.418 4.415 . 0 0 "[ . 1 . 2]" 1
262 1 11 ALA H 1 41 VAL MG2 . . 4.490 3.951 3.675 4.156 . 0 0 "[ . 1 . 2]" 1
263 1 11 ALA HA 1 13 ALA H . . 5.060 4.061 4.005 4.211 . 0 0 "[ . 1 . 2]" 1
264 1 11 ALA HA 1 14 TYR H . . 4.070 3.303 3.243 3.321 . 0 0 "[ . 1 . 2]" 1
265 1 11 ALA HA 1 14 TYR HB2 . . 3.960 3.023 2.893 3.171 . 0 0 "[ . 1 . 2]" 1
266 1 11 ALA HA 1 14 TYR HB3 . . 3.740 3.649 3.063 3.756 0.016 1 0 "[ . 1 . 2]" 1
267 1 11 ALA HA 1 15 ASN H . . 4.880 4.638 4.207 4.794 . 0 0 "[ . 1 . 2]" 1
268 1 11 ALA HA 1 35 ILE H . . 5.500 5.230 4.631 5.499 . 0 0 "[ . 1 . 2]" 1
269 1 11 ALA HA 1 35 ILE HB . . 4.210 3.318 2.848 3.688 . 0 0 "[ . 1 . 2]" 1
270 1 11 ALA HA 1 35 ILE MD . . 4.150 3.086 2.738 3.384 . 0 0 "[ . 1 . 2]" 1
271 1 11 ALA HA 1 35 ILE MG . . 4.560 3.745 3.095 4.574 0.014 12 0 "[ . 1 . 2]" 1
272 1 11 ALA HA 1 41 VAL H . . 5.340 4.199 3.950 4.450 . 0 0 "[ . 1 . 2]" 1
273 1 11 ALA HA 1 41 VAL MG1 . . 4.260 4.187 3.877 4.276 0.016 12 0 "[ . 1 . 2]" 1
274 1 11 ALA HA 1 41 VAL MG2 . . 3.690 2.817 2.514 2.991 . 0 0 "[ . 1 . 2]" 1
275 1 11 ALA MB 1 12 ALA HA . . 3.880 3.783 3.706 3.837 . 0 0 "[ . 1 . 2]" 1
276 1 11 ALA MB 1 15 ASN QD . . 4.540 3.409 3.025 3.863 . 0 0 "[ . 1 . 2]" 1
277 1 11 ALA MB 1 35 ILE MG . . 3.090 2.336 1.900 2.896 . 0 0 "[ . 1 . 2]" 1
278 1 11 ALA MB 1 36 HIS HA . . 5.500 3.744 2.886 4.353 . 0 0 "[ . 1 . 2]" 1
279 1 11 ALA MB 1 37 GLY H . . 5.490 4.907 4.349 5.486 . 0 0 "[ . 1 . 2]" 1
280 1 11 ALA MB 1 40 ASP HA . . 4.210 3.226 2.897 3.618 . 0 0 "[ . 1 . 2]" 1
281 1 11 ALA MB 1 41 VAL H . . 5.500 4.005 3.620 4.228 . 0 0 "[ . 1 . 2]" 1
282 1 11 ALA MB 1 41 VAL MG1 . . 4.150 3.584 3.153 3.893 . 0 0 "[ . 1 . 2]" 1
283 1 11 ALA MB 1 41 VAL MG2 . . 4.080 3.227 2.918 3.581 . 0 0 "[ . 1 . 2]" 1
284 1 12 ALA H 1 12 ALA MB . . 3.010 2.135 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
285 1 12 ALA H 1 13 ALA H . . 3.570 2.770 2.750 2.807 . 0 0 "[ . 1 . 2]" 1
286 1 12 ALA H 1 14 TYR H . . 5.000 4.248 4.180 4.338 . 0 0 "[ . 1 . 2]" 1
287 1 12 ALA H 1 15 ASN QB . . 5.500 5.405 5.183 5.506 0.006 9 0 "[ . 1 . 2]" 1
288 1 12 ALA H 1 15 ASN QD . . 5.500 4.914 4.303 5.525 0.025 12 0 "[ . 1 . 2]" 1
289 1 12 ALA HA 1 15 ASN H . . 4.020 3.608 3.554 3.688 . 0 0 "[ . 1 . 2]" 1
290 1 12 ALA HA 1 15 ASN QB . . 3.670 3.054 2.951 3.166 . 0 0 "[ . 1 . 2]" 1
291 1 12 ALA HA 1 15 ASN QD . . 4.290 3.467 2.877 4.072 . 0 0 "[ . 1 . 2]" 1
292 1 12 ALA MB 1 13 ALA H . . 3.470 2.695 2.533 2.786 . 0 0 "[ . 1 . 2]" 1
293 1 12 ALA MB 1 15 ASN H . . 5.240 4.795 4.766 4.842 . 0 0 "[ . 1 . 2]" 1
294 1 12 ALA MB 1 15 ASN QB . . 5.360 4.234 4.157 4.367 . 0 0 "[ . 1 . 2]" 1
295 1 12 ALA MB 1 15 ASN QD . . 5.460 4.772 4.291 5.114 . 0 0 "[ . 1 . 2]" 1
296 1 13 ALA H 1 13 ALA MB . . 2.940 2.214 2.046 2.237 . 0 0 "[ . 1 . 2]" 1
297 1 13 ALA H 1 14 TYR H . . 3.290 2.633 2.612 2.660 . 0 0 "[ . 1 . 2]" 1
298 1 13 ALA H 1 14 TYR HB2 . . 5.000 4.679 4.614 4.869 . 0 0 "[ . 1 . 2]" 1
299 1 13 ALA H 1 14 TYR HB3 . . 5.330 5.225 5.027 5.312 . 0 0 "[ . 1 . 2]" 1
300 1 13 ALA H 1 16 GLN H . . 5.460 4.781 4.581 4.915 . 0 0 "[ . 1 . 2]" 1
301 1 13 ALA HA 1 16 GLN H . . 3.890 3.499 3.396 3.604 . 0 0 "[ . 1 . 2]" 1
302 1 13 ALA HA 1 16 GLN QB . . 3.540 2.562 2.434 2.761 . 0 0 "[ . 1 . 2]" 1
303 1 13 ALA MB 1 14 TYR H . . 3.240 2.664 2.543 2.751 . 0 0 "[ . 1 . 2]" 1
304 1 13 ALA MB 1 14 TYR HB2 . . 4.430 4.060 3.990 4.180 . 0 0 "[ . 1 . 2]" 1
305 1 13 ALA MB 1 88 MET H . . 4.240 3.533 3.124 4.080 . 0 0 "[ . 1 . 2]" 1
306 1 13 ALA MB 1 88 MET HA . . 2.910 2.432 1.919 2.920 0.010 17 0 "[ . 1 . 2]" 1
307 1 13 ALA MB 1 88 MET HG3 . . 5.060 2.913 2.299 3.357 . 0 0 "[ . 1 . 2]" 1
308 1 14 TYR H 1 14 TYR HB2 . . 3.530 2.267 2.229 2.419 . 0 0 "[ . 1 . 2]" 1
309 1 14 TYR H 1 14 TYR HB3 . . 3.400 2.834 2.654 2.891 . 0 0 "[ . 1 . 2]" 1
310 1 14 TYR H 1 15 ASN H . . 3.580 2.760 2.706 2.841 . 0 0 "[ . 1 . 2]" 1
311 1 14 TYR H 1 35 ILE MD . . 5.280 4.630 4.176 4.965 . 0 0 "[ . 1 . 2]" 1
312 1 14 TYR H 1 49 LEU QD . . 5.440 5.262 5.163 5.417 . 0 0 "[ . 1 . 2]" 1
313 1 14 TYR H 1 88 MET HG3 . . 5.500 5.206 4.895 5.441 . 0 0 "[ . 1 . 2]" 1
314 1 14 TYR HA 1 17 ALA MB . . 3.500 2.571 2.468 2.697 . 0 0 "[ . 1 . 2]" 1
315 1 14 TYR HA 1 88 MET HG2 . . 4.100 3.850 3.148 4.071 . 0 0 "[ . 1 . 2]" 1
316 1 14 TYR HB2 1 15 ASN H . . 4.090 3.510 3.425 3.680 . 0 0 "[ . 1 . 2]" 1
317 1 14 TYR HB2 1 35 ILE MD . . 4.150 2.896 2.572 3.277 . 0 0 "[ . 1 . 2]" 1
318 1 14 TYR HB2 1 41 VAL MG2 . . 4.180 3.507 3.317 3.687 . 0 0 "[ . 1 . 2]" 1
319 1 14 TYR HB2 1 46 GLY HA3 . . 5.500 5.356 4.701 5.511 0.011 3 0 "[ . 1 . 2]" 1
320 1 14 TYR HB3 1 15 ASN H . . 3.730 2.363 2.339 2.419 . 0 0 "[ . 1 . 2]" 1
321 1 14 TYR HB3 1 34 PRO QB . . 5.340 3.953 3.461 4.369 . 0 0 "[ . 1 . 2]" 1
322 1 14 TYR HB3 1 35 ILE HB . . 5.500 3.429 3.025 4.262 . 0 0 "[ . 1 . 2]" 1
323 1 14 TYR HB3 1 35 ILE MD . . 4.180 3.175 2.223 3.352 . 0 0 "[ . 1 . 2]" 1
324 1 14 TYR QD 1 15 ASN HA . . 4.170 4.049 3.798 4.212 0.042 10 0 "[ . 1 . 2]" 1
325 1 14 TYR QD 1 34 PRO HA . . 4.210 2.142 1.992 2.352 . 0 0 "[ . 1 . 2]" 1
326 1 14 TYR QD 1 34 PRO QB . . 4.600 3.051 2.458 3.255 . 0 0 "[ . 1 . 2]" 1
327 1 14 TYR QD 1 34 PRO HG2 . . 5.500 5.398 4.979 5.582 0.082 12 0 "[ . 1 . 2]" 1
328 1 14 TYR QD 1 49 LEU QD . . 4.850 3.016 2.959 3.127 . 0 0 "[ . 1 . 2]" 1
329 1 14 TYR QD 1 49 LEU HG . . 5.500 5.297 5.040 5.643 0.143 1 0 "[ . 1 . 2]" 1
330 1 14 TYR QD 1 88 MET ME . . 4.600 4.420 3.829 4.614 0.014 6 0 "[ . 1 . 2]" 1
331 1 14 TYR QD 1 90 ILE MD . . 5.500 5.319 4.912 5.427 . 0 0 "[ . 1 . 2]" 1
332 1 14 TYR QE 1 34 PRO HA . . 4.110 2.487 2.113 2.728 . 0 0 "[ . 1 . 2]" 1
333 1 14 TYR QE 1 34 PRO QB . . 5.310 4.175 3.666 4.446 . 0 0 "[ . 1 . 2]" 1
334 1 14 TYR QE 1 35 ILE H . . 5.370 4.299 3.928 4.888 . 0 0 "[ . 1 . 2]" 1
335 1 14 TYR QE 1 46 GLY HA2 . . 4.900 2.043 1.987 2.417 . 0 0 "[ . 1 . 2]" 1
336 1 14 TYR QE 1 46 GLY HA3 . . 5.210 3.782 3.725 4.157 . 0 0 "[ . 1 . 2]" 1
337 1 14 TYR QE 1 49 LEU QB . . 3.930 2.205 1.971 2.326 . 0 0 "[ . 1 . 2]" 1
338 1 14 TYR QE 1 49 LEU MD1 . . 4.730 3.547 2.536 4.201 . 0 0 "[ . 1 . 2]" 1
339 1 14 TYR QE 1 49 LEU QD . . 3.880 2.755 2.511 2.924 . 0 0 "[ . 1 . 2]" 1
340 1 14 TYR QE 1 49 LEU MD2 . . 4.730 3.431 2.789 4.539 . 0 0 "[ . 1 . 2]" 1
341 1 14 TYR QE 1 88 MET ME . . 5.500 4.825 4.260 5.130 . 0 0 "[ . 1 . 2]" 1
342 1 14 TYR QE 1 90 ILE MD . . 5.500 5.531 5.506 5.559 0.059 1 0 "[ . 1 . 2]" 1
343 1 15 ASN H 1 15 ASN QB . . 3.400 2.275 2.108 2.496 . 0 0 "[ . 1 . 2]" 1
344 1 15 ASN H 1 15 ASN QD . . 4.500 2.181 1.889 3.900 . 0 0 "[ . 1 . 2]" 1
345 1 15 ASN H 1 16 GLN H . . 3.890 2.641 2.539 2.681 . 0 0 "[ . 1 . 2]" 1
346 1 15 ASN H 1 16 GLN HB2 . . 5.500 4.927 4.654 5.173 . 0 0 "[ . 1 . 2]" 1
347 1 15 ASN H 1 16 GLN QB . . 5.340 4.445 4.325 4.667 . 0 0 "[ . 1 . 2]" 1
348 1 15 ASN H 1 17 ALA MB . . 5.500 4.766 4.738 4.842 . 0 0 "[ . 1 . 2]" 1
349 1 15 ASN H 1 18 ARG HG2 . . 4.690 4.593 4.479 4.693 0.003 14 0 "[ . 1 . 2]" 1
350 1 15 ASN H 1 34 PRO HA . . 5.500 5.374 5.171 5.533 0.033 10 0 "[ . 1 . 2]" 1
351 1 15 ASN H 1 34 PRO QB . . 5.340 4.035 3.610 4.270 . 0 0 "[ . 1 . 2]" 1
352 1 15 ASN H 1 35 ILE MD . . 5.200 5.079 4.194 5.207 0.007 6 0 "[ . 1 . 2]" 1
353 1 15 ASN HA 1 15 ASN QD . . 4.460 3.293 3.118 4.007 . 0 0 "[ . 1 . 2]" 1
354 1 15 ASN HA 1 18 ARG HB2 . . 5.000 4.930 4.774 5.007 0.007 17 0 "[ . 1 . 2]" 1
355 1 15 ASN HA 1 18 ARG HB3 . . 4.730 4.647 4.475 4.731 0.001 15 0 "[ . 1 . 2]" 1
356 1 15 ASN HA 1 18 ARG QD . . 4.400 2.489 2.332 2.873 . 0 0 "[ . 1 . 2]" 1
357 1 15 ASN HA 1 18 ARG HE . . 5.310 4.243 2.990 5.177 . 0 0 "[ . 1 . 2]" 1
358 1 15 ASN HA 1 18 ARG HG2 . . 3.750 2.512 2.371 2.602 . 0 0 "[ . 1 . 2]" 1
359 1 15 ASN HA 1 34 PRO QB . . 3.950 2.643 2.352 2.845 . 0 0 "[ . 1 . 2]" 1
360 1 15 ASN QB 1 16 GLN H . . 3.760 2.764 2.732 2.827 . 0 0 "[ . 1 . 2]" 1
361 1 15 ASN QB 1 18 ARG HG3 . . 4.350 4.204 4.039 4.259 . 0 0 "[ . 1 . 2]" 1
362 1 15 ASN QB 1 19 SER H . . 5.500 4.819 4.764 4.863 . 0 0 "[ . 1 . 2]" 1
363 1 15 ASN QB 1 19 SER QB . . 5.340 4.025 3.959 4.106 . 0 0 "[ . 1 . 2]" 1
364 1 15 ASN QB 1 19 SER HB3 . . 5.500 4.814 4.510 5.093 . 0 0 "[ . 1 . 2]" 1
365 1 15 ASN QB 1 34 PRO HB2 . . 5.500 3.929 3.471 4.134 . 0 0 "[ . 1 . 2]" 1
366 1 15 ASN QB 1 34 PRO QB . . 5.340 3.554 3.094 3.719 . 0 0 "[ . 1 . 2]" 1
367 1 15 ASN QB 1 34 PRO HB3 . . 5.500 4.065 3.475 4.313 . 0 0 "[ . 1 . 2]" 1
368 1 15 ASN QB 1 35 ILE H . . 5.400 4.638 4.411 4.973 . 0 0 "[ . 1 . 2]" 1
369 1 15 ASN QD 1 34 PRO HA . . 4.610 4.086 3.790 4.676 0.066 12 0 "[ . 1 . 2]" 1
370 1 15 ASN QD 1 34 PRO HB2 . . 4.510 2.118 1.984 2.489 . 0 0 "[ . 1 . 2]" 1
371 1 15 ASN QD 1 34 PRO QB . . 3.960 2.099 1.970 2.456 . 0 0 "[ . 1 . 2]" 1
372 1 15 ASN QD 1 34 PRO HB3 . . 4.510 3.424 3.193 3.772 . 0 0 "[ . 1 . 2]" 1
373 1 15 ASN QD 1 35 ILE H . . 3.900 2.152 1.866 2.782 . 0 0 "[ . 1 . 2]" 1
374 1 15 ASN QD 1 35 ILE HA . . 5.410 4.079 3.881 4.309 . 0 0 "[ . 1 . 2]" 1
375 1 15 ASN QD 1 35 ILE HB . . 4.070 3.353 2.906 4.081 0.011 12 0 "[ . 1 . 2]" 1
376 1 15 ASN QD 1 35 ILE MD . . 5.070 4.425 3.437 5.069 . 0 0 "[ . 1 . 2]" 1
377 1 15 ASN QD 1 35 ILE QG . . 5.100 4.246 3.833 5.027 . 0 0 "[ . 1 . 2]" 1
378 1 15 ASN QD 1 35 ILE MG . . 5.090 4.210 3.905 4.669 . 0 0 "[ . 1 . 2]" 1
379 1 15 ASN QD 1 36 HIS HA . . 5.470 3.896 3.473 4.194 . 0 0 "[ . 1 . 2]" 1
380 1 16 GLN H 1 16 GLN HB2 . . 3.600 2.504 2.248 2.695 . 0 0 "[ . 1 . 2]" 1
381 1 16 GLN H 1 16 GLN QB . . 3.010 2.258 2.175 2.354 . 0 0 "[ . 1 . 2]" 1
382 1 16 GLN H 1 16 GLN HB3 . . 3.620 2.727 2.407 3.585 . 0 0 "[ . 1 . 2]" 1
383 1 16 GLN H 1 16 GLN QE . . 5.340 4.753 3.865 5.331 . 0 0 "[ . 1 . 2]" 1
384 1 16 GLN H 1 16 GLN HG2 . . 4.740 4.222 2.504 4.630 . 0 0 "[ . 1 . 2]" 1
385 1 16 GLN H 1 16 GLN QG . . 4.170 3.767 2.455 4.066 . 0 0 "[ . 1 . 2]" 1
386 1 16 GLN H 1 16 GLN HG3 . . 4.740 4.341 3.475 4.603 . 0 0 "[ . 1 . 2]" 1
387 1 16 GLN H 1 17 ALA H . . 3.420 2.481 2.472 2.497 . 0 0 "[ . 1 . 2]" 1
388 1 16 GLN H 1 17 ALA HA . . 5.090 5.115 5.103 5.126 0.036 6 0 "[ . 1 . 2]" 1
389 1 16 GLN H 1 17 ALA MB . . 4.400 4.134 4.095 4.164 . 0 0 "[ . 1 . 2]" 1
390 1 16 GLN H 1 18 ARG HG3 . . 5.180 4.457 4.323 4.912 . 0 0 "[ . 1 . 2]" 1
391 1 16 GLN H 1 87 THR MG . . 4.230 4.205 4.072 4.260 0.030 14 0 "[ . 1 . 2]" 1
392 1 16 GLN HA 1 16 GLN QE . . 5.160 2.616 1.936 3.219 . 0 0 "[ . 1 . 2]" 1
393 1 16 GLN HA 1 16 GLN QG . . 3.610 2.809 2.386 3.080 . 0 0 "[ . 1 . 2]" 1
394 1 16 GLN QB 1 17 ALA H . . 3.500 2.723 2.706 2.752 . 0 0 "[ . 1 . 2]" 1
395 1 16 GLN QB 1 87 THR MG . . 3.280 2.220 1.992 2.450 . 0 0 "[ . 1 . 2]" 1
396 1 16 GLN HB2 1 17 ALA H . . 4.040 3.731 2.791 4.032 . 0 0 "[ . 1 . 2]" 1
397 1 16 GLN HB2 1 87 THR MG . . 3.770 3.190 2.163 3.714 . 0 0 "[ . 1 . 2]" 1
398 1 16 GLN HB3 1 17 ALA H . . 4.010 2.917 2.752 3.704 . 0 0 "[ . 1 . 2]" 1
399 1 16 GLN HB3 1 87 THR MG . . 3.740 2.348 2.011 3.213 . 0 0 "[ . 1 . 2]" 1
400 1 16 GLN QE 1 19 SER QB . . 4.760 3.100 2.826 3.621 . 0 0 "[ . 1 . 2]" 1
401 1 16 GLN QE 1 87 THR MG . . 4.930 4.802 4.384 4.947 0.017 6 0 "[ . 1 . 2]" 1
402 1 16 GLN HE21 1 19 SER HB2 . . 5.500 4.755 3.859 5.491 . 0 0 "[ . 1 . 2]" 1
403 1 16 GLN HE21 1 19 SER HB3 . . 5.500 3.529 2.930 4.483 . 0 0 "[ . 1 . 2]" 1
404 1 16 GLN HE22 1 19 SER HB2 . . 5.500 4.944 4.236 5.500 . 0 0 "[ . 1 . 2]" 1
405 1 16 GLN HE22 1 19 SER HB3 . . 5.500 3.863 3.369 4.698 . 0 0 "[ . 1 . 2]" 1
406 1 16 GLN QG 1 17 ALA H . . 4.570 4.001 3.649 4.577 0.007 15 0 "[ . 1 . 2]" 1
407 1 16 GLN HG2 1 17 ALA H . . 5.150 4.849 4.475 5.174 0.024 19 0 "[ . 1 . 2]" 1
408 1 16 GLN HG2 1 87 THR MG . . 4.060 3.205 2.225 4.080 0.020 19 0 "[ . 1 . 2]" 1
409 1 16 GLN HG3 1 17 ALA H . . 5.150 4.347 3.785 5.131 . 0 0 "[ . 1 . 2]" 1
410 1 16 GLN HG3 1 87 THR MG . . 4.060 3.168 2.733 3.989 . 0 0 "[ . 1 . 2]" 1
411 1 17 ALA H 1 17 ALA MB . . 3.210 2.168 2.107 2.225 . 0 0 "[ . 1 . 2]" 1
412 1 17 ALA H 1 87 THR MG . . 4.270 4.069 3.887 4.220 . 0 0 "[ . 1 . 2]" 1
413 1 17 ALA H 1 88 MET ME . . 5.180 4.543 4.356 4.816 . 0 0 "[ . 1 . 2]" 1
414 1 17 ALA H 1 88 MET HG3 . . 5.500 4.909 4.514 5.244 . 0 0 "[ . 1 . 2]" 1
415 1 17 ALA MB 1 18 ARG H . . 3.740 2.454 2.375 2.510 . 0 0 "[ . 1 . 2]" 1
416 1 17 ALA MB 1 18 ARG HA . . 4.240 3.789 3.752 3.814 . 0 0 "[ . 1 . 2]" 1
417 1 17 ALA MB 1 19 SER H . . 4.740 4.331 4.310 4.351 . 0 0 "[ . 1 . 2]" 1
418 1 17 ALA MB 1 49 LEU QD . . 3.290 2.156 1.891 2.283 . 0 0 "[ . 1 . 2]" 1
419 1 17 ALA MB 1 88 MET H . . 4.680 4.239 3.749 4.504 . 0 0 "[ . 1 . 2]" 1
420 1 17 ALA MB 1 88 MET HG3 . . 3.470 2.797 2.483 3.053 . 0 0 "[ . 1 . 2]" 1
421 1 18 ARG H 1 18 ARG HB2 . . 4.020 3.578 3.571 3.585 . 0 0 "[ . 1 . 2]" 1
422 1 18 ARG H 1 18 ARG HB3 . . 3.960 2.751 2.707 2.794 . 0 0 "[ . 1 . 2]" 1
423 1 18 ARG H 1 18 ARG QD . . 4.580 3.866 3.819 4.027 . 0 0 "[ . 1 . 2]" 1
424 1 18 ARG H 1 18 ARG HG2 . . 3.730 2.654 2.108 2.865 . 0 0 "[ . 1 . 2]" 1
425 1 18 ARG H 1 18 ARG HG3 . . 4.890 2.069 1.996 2.577 . 0 0 "[ . 1 . 2]" 1
426 1 18 ARG H 1 19 SER H . . 3.840 2.543 2.535 2.564 . 0 0 "[ . 1 . 2]" 1
427 1 18 ARG H 1 19 SER HB2 . . 5.500 5.186 4.947 5.503 0.003 18 0 "[ . 1 . 2]" 1
428 1 18 ARG H 1 19 SER QB . . 4.830 4.260 4.199 4.310 . 0 0 "[ . 1 . 2]" 1
429 1 18 ARG H 1 19 SER HB3 . . 5.500 4.549 4.355 4.743 . 0 0 "[ . 1 . 2]" 1
430 1 18 ARG H 1 49 LEU MD1 . . 4.690 3.859 2.721 4.110 . 0 0 "[ . 1 . 2]" 1
431 1 18 ARG H 1 49 LEU QD . . 3.890 2.256 2.145 2.466 . 0 0 "[ . 1 . 2]" 1
432 1 18 ARG H 1 49 LEU MD2 . . 4.690 2.289 2.153 2.820 . 0 0 "[ . 1 . 2]" 1
433 1 18 ARG H 1 49 LEU HG . . 5.410 4.603 4.085 5.270 . 0 0 "[ . 1 . 2]" 1
434 1 18 ARG HA 1 18 ARG HE . . 5.340 4.933 4.751 5.314 . 0 0 "[ . 1 . 2]" 1
435 1 18 ARG HA 1 21 LEU H . . 4.490 3.436 3.389 3.474 . 0 0 "[ . 1 . 2]" 1
436 1 18 ARG HA 1 21 LEU HB2 . . 4.490 2.986 2.899 3.069 . 0 0 "[ . 1 . 2]" 1
437 1 18 ARG HA 1 21 LEU QB . . 4.260 2.944 2.863 3.022 . 0 0 "[ . 1 . 2]" 1
438 1 18 ARG HA 1 21 LEU MD1 . . 3.510 1.906 1.894 1.943 . 0 0 "[ . 1 . 2]" 1
439 1 18 ARG HA 1 22 ALA H . . 4.700 4.343 4.277 4.461 . 0 0 "[ . 1 . 2]" 1
440 1 18 ARG HA 1 49 LEU MD1 . . 3.920 3.208 2.788 3.801 . 0 0 "[ . 1 . 2]" 1
441 1 18 ARG HA 1 49 LEU QD . . 3.220 2.359 1.972 2.676 . 0 0 "[ . 1 . 2]" 1
442 1 18 ARG HA 1 49 LEU MD2 . . 3.920 2.564 1.979 3.025 . 0 0 "[ . 1 . 2]" 1
443 1 18 ARG HA 1 49 LEU HG . . 5.090 4.033 3.822 4.299 . 0 0 "[ . 1 . 2]" 1
444 1 18 ARG HB2 1 18 ARG HE . . 4.510 2.694 2.340 3.760 . 0 0 "[ . 1 . 2]" 1
445 1 18 ARG HB2 1 19 SER H . . 4.760 3.708 3.668 3.740 . 0 0 "[ . 1 . 2]" 1
446 1 18 ARG HB2 1 19 SER QB . . 5.340 5.095 5.047 5.131 . 0 0 "[ . 1 . 2]" 1
447 1 18 ARG HB2 1 49 LEU MD1 . . 6.300 3.335 3.063 3.470 . 0 0 "[ . 1 . 2]" 1
448 1 18 ARG HB2 1 49 LEU MD2 . . 6.300 3.315 3.184 3.572 . 0 0 "[ . 1 . 2]" 1
449 1 18 ARG HB3 1 18 ARG HE . . 4.700 3.121 2.854 4.584 . 0 0 "[ . 1 . 2]" 1
450 1 18 ARG HB3 1 19 SER H . . 4.760 4.086 4.063 4.107 . 0 0 "[ . 1 . 2]" 1
451 1 18 ARG HB3 1 49 LEU HA . . 5.500 5.599 5.523 5.650 0.150 17 0 "[ . 1 . 2]" 1
452 1 18 ARG HB3 1 49 LEU MD1 . . 6.300 2.161 1.899 2.372 . 0 0 "[ . 1 . 2]" 1
453 1 18 ARG HB3 1 49 LEU MD2 . . 6.300 1.956 1.866 2.401 . 0 0 "[ . 1 . 2]" 1
454 1 18 ARG QD 1 19 SER H . . 5.340 3.229 2.873 4.150 . 0 0 "[ . 1 . 2]" 1
455 1 18 ARG QD 1 19 SER HB2 . . 5.340 3.859 3.382 5.254 . 0 0 "[ . 1 . 2]" 1
456 1 18 ARG QD 1 19 SER QB . . 5.180 3.658 3.261 4.721 . 0 0 "[ . 1 . 2]" 1
457 1 18 ARG QD 1 19 SER HB3 . . 5.340 4.621 4.118 5.363 0.023 8 0 "[ . 1 . 2]" 1
458 1 18 ARG QD 1 34 PRO HA . . 4.520 4.174 3.335 4.478 . 0 0 "[ . 1 . 2]" 1
459 1 18 ARG QD 1 34 PRO QB . . 5.180 2.378 1.932 2.508 . 0 0 "[ . 1 . 2]" 1
460 1 18 ARG QD 1 35 ILE H . . 5.340 5.260 4.754 5.363 0.023 16 0 "[ . 1 . 2]" 1
461 1 18 ARG HE 1 34 PRO QB . . 5.220 3.297 2.967 4.313 . 0 0 "[ . 1 . 2]" 1
462 1 18 ARG HE 1 34 PRO HD2 . . 5.500 4.922 4.483 5.505 0.005 17 0 "[ . 1 . 2]" 1
463 1 18 ARG HE 1 34 PRO QD . . 4.720 3.234 2.710 4.167 . 0 0 "[ . 1 . 2]" 1
464 1 18 ARG HE 1 34 PRO HD3 . . 5.500 3.285 2.732 4.315 . 0 0 "[ . 1 . 2]" 1
465 1 18 ARG HE 1 34 PRO HG2 . . 5.500 5.369 4.991 5.518 0.018 16 0 "[ . 1 . 2]" 1
466 1 18 ARG HE 1 34 PRO QG . . 4.550 4.011 3.210 4.304 . 0 0 "[ . 1 . 2]" 1
467 1 18 ARG HE 1 34 PRO HG3 . . 4.860 4.149 3.250 4.495 . 0 0 "[ . 1 . 2]" 1
468 1 18 ARG HE 1 49 LEU QD . . 5.440 3.502 2.893 4.983 . 0 0 "[ . 1 . 2]" 1
469 1 18 ARG HG2 1 19 SER H . . 4.090 3.712 3.279 3.785 . 0 0 "[ . 1 . 2]" 1
470 1 18 ARG HG2 1 19 SER QB . . 5.180 5.005 4.662 5.068 . 0 0 "[ . 1 . 2]" 1
471 1 18 ARG HG2 1 49 LEU QD . . 4.690 2.616 2.391 2.721 . 0 0 "[ . 1 . 2]" 1
472 1 18 ARG HG3 1 18 ARG HH11 . . 4.900 4.208 2.042 4.443 . 0 0 "[ . 1 . 2]" 1
473 1 18 ARG HG3 1 19 SER H . . 5.130 2.021 1.956 2.053 . 0 0 "[ . 1 . 2]" 1
474 1 18 ARG HG3 1 19 SER HB2 . . 4.460 3.934 3.698 4.153 . 0 0 "[ . 1 . 2]" 1
475 1 18 ARG HG3 1 19 SER QB . . 4.370 3.518 3.381 3.577 . 0 0 "[ . 1 . 2]" 1
476 1 18 ARG HH11 1 34 PRO QB . . 5.160 4.229 3.712 4.481 . 0 0 "[ . 1 . 2]" 1
477 1 18 ARG HH11 1 34 PRO HD2 . . 5.500 5.217 3.356 5.503 0.003 19 0 "[ . 1 . 2]" 1
478 1 18 ARG HH11 1 34 PRO QD . . 4.720 3.688 2.122 4.152 . 0 0 "[ . 1 . 2]" 1
479 1 18 ARG HH11 1 34 PRO HD3 . . 5.480 3.774 2.146 4.296 . 0 0 "[ . 1 . 2]" 1
480 1 18 ARG HH11 1 34 PRO QG . . 4.930 3.686 3.104 4.035 . 0 0 "[ . 1 . 2]" 1
481 1 18 ARG HH11 1 34 PRO HG3 . . 5.340 3.749 3.168 4.115 . 0 0 "[ . 1 . 2]" 1
482 1 19 SER H 1 19 SER HB2 . . 3.700 2.796 2.580 3.074 . 0 0 "[ . 1 . 2]" 1
483 1 19 SER H 1 19 SER QB . . 3.180 2.192 2.086 2.257 . 0 0 "[ . 1 . 2]" 1
484 1 19 SER H 1 19 SER HB3 . . 3.700 2.314 2.122 2.493 . 0 0 "[ . 1 . 2]" 1
485 1 19 SER H 1 20 THR H . . 3.680 2.816 2.804 2.823 . 0 0 "[ . 1 . 2]" 1
486 1 19 SER H 1 49 LEU QD . . 5.440 4.158 4.088 4.212 . 0 0 "[ . 1 . 2]" 1
487 1 19 SER HA 1 22 ALA H . . 4.050 3.428 3.310 3.532 . 0 0 "[ . 1 . 2]" 1
488 1 19 SER HA 1 22 ALA MB . . 3.150 2.470 2.306 2.588 . 0 0 "[ . 1 . 2]" 1
489 1 19 SER QB 1 20 THR H . . 4.260 2.550 2.408 2.778 . 0 0 "[ . 1 . 2]" 1
490 1 19 SER HB3 1 20 THR H . . 4.390 2.585 2.433 2.832 . 0 0 "[ . 1 . 2]" 1
491 1 20 THR H 1 20 THR HB . . 3.280 2.682 2.616 2.838 . 0 0 "[ . 1 . 2]" 1
492 1 20 THR H 1 20 THR MG . . 3.880 3.754 3.714 3.765 . 0 0 "[ . 1 . 2]" 1
493 1 20 THR H 1 21 LEU H . . 3.950 2.765 2.736 2.787 . 0 0 "[ . 1 . 2]" 1
494 1 20 THR H 1 21 LEU HG . . 5.350 4.173 4.082 4.225 . 0 0 "[ . 1 . 2]" 1
495 1 20 THR HA 1 20 THR MG . . 3.180 2.276 2.134 2.367 . 0 0 "[ . 1 . 2]" 1
496 1 20 THR HA 1 21 LEU HG . . 5.500 5.177 5.096 5.232 . 0 0 "[ . 1 . 2]" 1
497 1 20 THR HB 1 21 LEU H . . 3.720 2.564 2.480 2.705 . 0 0 "[ . 1 . 2]" 1
498 1 20 THR HB 1 21 LEU MD1 . . 4.460 4.428 4.378 4.496 0.036 18 0 "[ . 1 . 2]" 1
499 1 20 THR HB 1 21 LEU HG . . 4.680 3.077 3.038 3.138 . 0 0 "[ . 1 . 2]" 1
500 1 20 THR MG 1 83 SER H . . 4.890 4.462 3.759 4.841 . 0 0 "[ . 1 . 2]" 1
501 1 20 THR MG 1 83 SER QB . . 3.530 2.405 1.933 2.855 . 0 0 "[ . 1 . 2]" 1
502 1 20 THR MG 1 84 ALA H . . 4.690 4.346 3.725 4.696 0.006 14 0 "[ . 1 . 2]" 1
503 1 21 LEU H 1 21 LEU HB2 . . 4.010 2.660 2.642 2.669 . 0 0 "[ . 1 . 2]" 1
504 1 21 LEU H 1 21 LEU QB . . 3.380 2.593 2.578 2.601 . 0 0 "[ . 1 . 2]" 1
505 1 21 LEU H 1 21 LEU MD1 . . 3.880 3.211 3.152 3.292 . 0 0 "[ . 1 . 2]" 1
506 1 21 LEU H 1 21 LEU MD2 . . 3.990 3.400 3.352 3.435 . 0 0 "[ . 1 . 2]" 1
507 1 21 LEU H 1 21 LEU HG . . 3.670 1.950 1.939 2.002 . 0 0 "[ . 1 . 2]" 1
508 1 21 LEU H 1 22 ALA H . . 3.720 2.582 2.470 2.639 . 0 0 "[ . 1 . 2]" 1
509 1 21 LEU H 1 49 LEU QD . . 5.370 4.830 4.559 5.073 . 0 0 "[ . 1 . 2]" 1
510 1 21 LEU HA 1 21 LEU MD1 . . 4.220 3.979 3.971 3.989 . 0 0 "[ . 1 . 2]" 1
511 1 21 LEU HA 1 21 LEU MD2 . . 3.360 2.462 2.354 2.528 . 0 0 "[ . 1 . 2]" 1
512 1 21 LEU HA 1 21 LEU HG . . 4.210 3.036 2.993 3.083 . 0 0 "[ . 1 . 2]" 1
513 1 21 LEU HA 1 23 ASP H . . 4.070 3.651 3.577 3.685 . 0 0 "[ . 1 . 2]" 1
514 1 21 LEU HA 1 24 ALA H . . 4.050 3.573 3.539 3.668 . 0 0 "[ . 1 . 2]" 1
515 1 21 LEU HA 1 24 ALA MB . . 4.460 3.843 3.692 4.124 . 0 0 "[ . 1 . 2]" 1
516 1 21 LEU HA 1 57 PHE QE . . 5.500 4.094 3.945 4.229 . 0 0 "[ . 1 . 2]" 1
517 1 21 LEU HA 1 80 ALA MB . . 4.640 3.050 2.662 3.262 . 0 0 "[ . 1 . 2]" 1
518 1 21 LEU QB 1 22 ALA H . . 3.580 2.792 2.782 2.805 . 0 0 "[ . 1 . 2]" 1
519 1 21 LEU QB 1 22 ALA HA . . 4.730 3.862 3.855 3.871 . 0 0 "[ . 1 . 2]" 1
520 1 21 LEU QB 1 24 ALA H . . 5.050 4.433 4.416 4.465 . 0 0 "[ . 1 . 2]" 1
521 1 21 LEU HB2 1 21 LEU MD1 . . 3.600 2.045 2.020 2.080 . 0 0 "[ . 1 . 2]" 1
522 1 21 LEU HB2 1 22 ALA H . . 3.770 2.850 2.839 2.863 . 0 0 "[ . 1 . 2]" 1
523 1 21 LEU HB2 1 22 ALA HA . . 5.250 4.088 4.061 4.111 . 0 0 "[ . 1 . 2]" 1
524 1 21 LEU HB2 1 26 SER HA . . 5.500 4.304 4.132 4.434 . 0 0 "[ . 1 . 2]" 1
525 1 21 LEU HB2 1 26 SER QB . . 4.180 3.439 3.289 3.606 . 0 0 "[ . 1 . 2]" 1
526 1 21 LEU HB3 1 21 LEU MD1 . . 3.600 2.593 2.557 2.615 . 0 0 "[ . 1 . 2]" 1
527 1 21 LEU HB3 1 21 LEU MD2 . . 3.600 2.187 2.145 2.258 . 0 0 "[ . 1 . 2]" 1
528 1 21 LEU HB3 1 22 ALA H . . 4.480 3.992 3.979 4.022 . 0 0 "[ . 1 . 2]" 1
529 1 21 LEU HB3 1 22 ALA HA . . 5.500 4.750 4.724 4.797 . 0 0 "[ . 1 . 2]" 1
530 1 21 LEU HB3 1 24 ALA H . . 5.190 4.753 4.727 4.788 . 0 0 "[ . 1 . 2]" 1
531 1 21 LEU HB3 1 26 SER HA . . 5.450 4.024 3.850 4.130 . 0 0 "[ . 1 . 2]" 1
532 1 21 LEU HB3 1 26 SER QB . . 4.090 4.111 4.098 4.158 0.068 17 0 "[ . 1 . 2]" 1
533 1 21 LEU HB3 1 57 PHE QD . . 5.500 5.564 5.546 5.586 0.086 17 0 "[ . 1 . 2]" 1
534 1 21 LEU MD1 1 22 ALA H . . 4.800 4.318 4.277 4.360 . 0 0 "[ . 1 . 2]" 1
535 1 21 LEU MD1 1 53 ALA H . . 5.000 3.784 3.697 3.845 . 0 0 "[ . 1 . 2]" 1
536 1 21 LEU MD1 1 53 ALA HA . . 4.650 3.881 3.805 4.010 . 0 0 "[ . 1 . 2]" 1
537 1 21 LEU MD1 1 53 ALA MB . . 3.400 1.877 1.848 1.909 . 0 0 "[ . 1 . 2]" 1
538 1 21 LEU MD1 1 57 PHE QD . . 5.500 5.458 5.375 5.514 0.014 3 0 "[ . 1 . 2]" 1
539 1 21 LEU MD2 1 22 ALA H . . 5.030 4.849 4.804 4.883 . 0 0 "[ . 1 . 2]" 1
540 1 21 LEU MD2 1 24 ALA MB . . 4.930 4.594 4.509 4.810 . 0 0 "[ . 1 . 2]" 1
541 1 21 LEU MD2 1 26 SER QB . . 5.500 5.200 5.135 5.283 . 0 0 "[ . 1 . 2]" 1
542 1 21 LEU MD2 1 53 ALA MB . . 3.000 1.820 1.781 1.880 . 0 0 "[ . 1 . 2]" 1
543 1 21 LEU MD2 1 80 ALA H . . 5.500 4.989 4.749 5.209 . 0 0 "[ . 1 . 2]" 1
544 1 21 LEU MD2 1 80 ALA MB . . 3.410 2.188 1.941 2.538 . 0 0 "[ . 1 . 2]" 1
545 1 21 LEU MD2 1 81 VAL H . . 4.200 3.726 3.505 4.005 . 0 0 "[ . 1 . 2]" 1
546 1 21 LEU MD2 1 81 VAL HA . . 3.720 2.591 2.293 2.989 . 0 0 "[ . 1 . 2]" 1
547 1 21 LEU MD2 1 84 ALA H . . 5.400 4.266 4.065 4.412 . 0 0 "[ . 1 . 2]" 1
548 1 21 LEU MD2 1 84 ALA MB . . 4.090 3.074 2.970 3.246 . 0 0 "[ . 1 . 2]" 1
549 1 22 ALA H 1 22 ALA MB . . 3.000 2.088 2.033 2.186 . 0 0 "[ . 1 . 2]" 1
550 1 22 ALA H 1 23 ASP QB . . 4.900 4.558 4.405 4.704 . 0 0 "[ . 1 . 2]" 1
551 1 22 ALA H 1 24 ALA H . . 4.750 4.429 4.412 4.484 . 0 0 "[ . 1 . 2]" 1
552 1 22 ALA H 1 26 SER QB . . 5.010 4.681 4.450 4.781 . 0 0 "[ . 1 . 2]" 1
553 1 22 ALA HA 1 24 ALA H . . 4.430 3.939 3.897 3.979 . 0 0 "[ . 1 . 2]" 1
554 1 22 ALA HA 1 25 GLY H . . 3.890 2.964 2.921 3.039 . 0 0 "[ . 1 . 2]" 1
555 1 22 ALA HA 1 26 SER H . . 4.200 3.972 3.939 4.009 . 0 0 "[ . 1 . 2]" 1
556 1 22 ALA HA 1 26 SER QB . . 3.960 3.857 3.311 3.966 0.006 13 0 "[ . 1 . 2]" 1
557 1 22 ALA MB 1 23 ASP H . . 3.410 2.894 2.841 2.952 . 0 0 "[ . 1 . 2]" 1
558 1 22 ALA MB 1 23 ASP HA . . 4.580 3.791 3.766 3.857 . 0 0 "[ . 1 . 2]" 1
559 1 22 ALA MB 1 23 ASP QB . . 4.760 4.375 4.096 4.574 . 0 0 "[ . 1 . 2]" 1
560 1 22 ALA MB 1 26 SER H . . 5.500 5.007 4.950 5.082 . 0 0 "[ . 1 . 2]" 1
561 1 23 ASP H 1 23 ASP HB2 . . 3.600 2.244 2.072 2.378 . 0 0 "[ . 1 . 2]" 1
562 1 23 ASP H 1 23 ASP QB . . 3.140 2.209 2.048 2.345 . 0 0 "[ . 1 . 2]" 1
563 1 23 ASP H 1 23 ASP HB3 . . 3.660 3.350 2.783 3.574 . 0 0 "[ . 1 . 2]" 1
564 1 23 ASP H 1 24 ALA H . . 3.480 2.704 2.698 2.718 . 0 0 "[ . 1 . 2]" 1
565 1 23 ASP H 1 24 ALA MB . . 4.720 4.502 4.449 4.580 . 0 0 "[ . 1 . 2]" 1
566 1 23 ASP H 1 25 GLY H . . 4.970 3.792 3.772 3.820 . 0 0 "[ . 1 . 2]" 1
567 1 23 ASP HA 1 25 GLY H . . 4.750 4.631 4.591 4.780 0.030 17 0 "[ . 1 . 2]" 1
568 1 23 ASP QB 1 24 ALA H . . 3.840 2.762 2.720 2.819 . 0 0 "[ . 1 . 2]" 1
569 1 23 ASP QB 1 24 ALA HA . . 4.560 4.083 4.036 4.223 . 0 0 "[ . 1 . 2]" 1
570 1 23 ASP QB 1 24 ALA MB . . 4.170 3.470 3.324 3.572 . 0 0 "[ . 1 . 2]" 1
571 1 23 ASP HB2 1 25 GLY H . . 5.500 4.965 4.700 5.488 . 0 0 "[ . 1 . 2]" 1
572 1 23 ASP HB3 1 24 ALA H . . 4.430 3.305 2.785 3.655 . 0 0 "[ . 1 . 2]" 1
573 1 23 ASP HB3 1 25 GLY H . . 5.500 5.204 4.745 5.495 . 0 0 "[ . 1 . 2]" 1
574 1 24 ALA H 1 24 ALA MB . . 3.050 2.334 2.252 2.445 . 0 0 "[ . 1 . 2]" 1
575 1 24 ALA H 1 25 GLY H . . 3.550 2.001 1.934 2.044 . 0 0 "[ . 1 . 2]" 1
576 1 24 ALA MB 1 25 GLY H . . 3.870 2.928 2.823 3.003 . 0 0 "[ . 1 . 2]" 1
577 1 24 ALA MB 1 25 GLY QA . . 4.780 3.786 3.742 3.812 . 0 0 "[ . 1 . 2]" 1
578 1 24 ALA MB 1 77 HIS HD2 . . 4.630 3.578 2.929 4.213 . 0 0 "[ . 1 . 2]" 1
579 1 25 GLY H 1 26 SER H . . 4.310 4.161 4.146 4.169 . 0 0 "[ . 1 . 2]" 1
580 1 25 GLY H 1 26 SER QB . . 5.090 5.058 4.637 5.155 0.065 6 0 "[ . 1 . 2]" 1
581 1 25 GLY QA 1 27 ARG H . . 5.340 5.098 5.062 5.239 . 0 0 "[ . 1 . 2]" 1
582 1 26 SER H 1 26 SER QB . . 3.310 3.025 2.478 3.147 . 0 0 "[ . 1 . 2]" 1
583 1 26 SER H 1 27 ARG H . . 5.230 4.243 4.222 4.312 . 0 0 "[ . 1 . 2]" 1
584 1 26 SER H 1 29 ALA MB . . 5.020 4.741 4.536 4.797 . 0 0 "[ . 1 . 2]" 1
585 1 26 SER HA 1 27 ARG H . . 3.180 2.140 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
586 1 26 SER HA 1 28 THR H . . 4.440 4.320 4.276 4.331 . 0 0 "[ . 1 . 2]" 1
587 1 26 SER HA 1 29 ALA MB . . 3.890 3.655 3.530 3.910 0.020 18 0 "[ . 1 . 2]" 1
588 1 26 SER HA 1 30 ALA H . . 4.740 4.583 4.550 4.703 . 0 0 "[ . 1 . 2]" 1
589 1 26 SER QB 1 27 ARG H . . 4.650 3.405 3.374 3.539 . 0 0 "[ . 1 . 2]" 1
590 1 26 SER QB 1 28 THR H . . 4.830 4.193 4.176 4.304 . 0 0 "[ . 1 . 2]" 1
591 1 26 SER QB 1 29 ALA H . . 4.080 2.886 2.873 2.965 . 0 0 "[ . 1 . 2]" 1
592 1 26 SER QB 1 29 ALA MB . . 3.170 1.848 1.830 1.864 . 0 0 "[ . 1 . 2]" 1
593 1 26 SER QB 1 30 ALA H . . 4.840 2.468 2.395 3.372 . 0 0 "[ . 1 . 2]" 1
594 1 27 ARG H 1 27 ARG HB2 . . 4.020 2.193 2.098 2.428 . 0 0 "[ . 1 . 2]" 1
595 1 27 ARG H 1 27 ARG QB . . 3.360 2.135 2.074 2.259 . 0 0 "[ . 1 . 2]" 1
596 1 27 ARG H 1 27 ARG HB3 . . 4.020 3.132 2.690 3.461 . 0 0 "[ . 1 . 2]" 1
597 1 27 ARG H 1 27 ARG QD . . 4.770 4.082 3.025 4.577 . 0 0 "[ . 1 . 2]" 1
598 1 27 ARG H 1 27 ARG HG2 . . 4.500 4.118 3.134 4.511 0.011 15 0 "[ . 1 . 2]" 1
599 1 27 ARG H 1 27 ARG QG . . 4.200 3.658 3.034 4.016 . 0 0 "[ . 1 . 2]" 1
600 1 27 ARG H 1 27 ARG HG3 . . 4.500 4.196 3.286 4.508 0.008 18 0 "[ . 1 . 2]" 1
601 1 27 ARG H 1 28 THR H . . 3.600 2.683 2.622 2.699 . 0 0 "[ . 1 . 2]" 1
602 1 27 ARG H 1 28 THR HA . . 5.490 5.244 5.218 5.251 . 0 0 "[ . 1 . 2]" 1
603 1 27 ARG H 1 28 THR MG . . 4.900 4.165 4.075 4.217 . 0 0 "[ . 1 . 2]" 1
604 1 27 ARG H 1 29 ALA H . . 4.970 3.776 3.726 3.875 . 0 0 "[ . 1 . 2]" 1
605 1 27 ARG H 1 30 ALA H . . 5.500 4.340 4.330 4.376 . 0 0 "[ . 1 . 2]" 1
606 1 27 ARG HA 1 27 ARG QD . . 4.140 2.963 2.000 4.038 . 0 0 "[ . 1 . 2]" 1
607 1 27 ARG HA 1 27 ARG HG2 . . 3.780 2.735 2.165 3.590 . 0 0 "[ . 1 . 2]" 1
608 1 27 ARG HA 1 27 ARG QG . . 3.240 2.360 2.110 2.566 . 0 0 "[ . 1 . 2]" 1
609 1 27 ARG HA 1 27 ARG HG3 . . 3.780 2.999 2.488 3.624 . 0 0 "[ . 1 . 2]" 1
610 1 27 ARG HA 1 30 ALA H . . 4.850 4.096 4.036 4.122 . 0 0 "[ . 1 . 2]" 1
611 1 27 ARG QB 1 27 ARG QD . . 3.250 2.208 1.983 2.884 . 0 0 "[ . 1 . 2]" 1
612 1 27 ARG QB 1 27 ARG HE . . 4.860 3.676 1.936 4.394 . 0 0 "[ . 1 . 2]" 1
613 1 27 ARG QB 1 28 THR H . . 3.670 2.276 2.102 2.434 . 0 0 "[ . 1 . 2]" 1
614 1 27 ARG QB 1 28 THR HA . . 4.710 3.826 3.752 4.017 . 0 0 "[ . 1 . 2]" 1
615 1 27 ARG QB 1 28 THR MG . . 4.820 2.675 2.604 2.766 . 0 0 "[ . 1 . 2]" 1
616 1 27 ARG QB 1 29 ALA H . . 4.840 4.390 4.321 4.523 . 0 0 "[ . 1 . 2]" 1
617 1 27 ARG HB2 1 28 THR H . . 4.390 2.991 2.533 3.481 . 0 0 "[ . 1 . 2]" 1
618 1 27 ARG HB2 1 29 ALA H . . 5.500 5.122 4.787 5.519 0.019 13 0 "[ . 1 . 2]" 1
619 1 27 ARG HB3 1 28 THR H . . 4.390 2.425 2.119 2.803 . 0 0 "[ . 1 . 2]" 1
620 1 27 ARG HB3 1 29 ALA H . . 5.500 4.832 4.515 5.180 . 0 0 "[ . 1 . 2]" 1
621 1 27 ARG QG 1 28 THR H . . 4.790 4.099 3.707 4.297 . 0 0 "[ . 1 . 2]" 1
622 1 28 THR H 1 28 THR MG . . 3.550 2.156 2.126 2.192 . 0 0 "[ . 1 . 2]" 1
623 1 28 THR H 1 29 ALA H . . 3.850 2.496 2.478 2.535 . 0 0 "[ . 1 . 2]" 1
624 1 28 THR H 1 30 ALA H . . 4.890 3.886 3.843 3.914 . 0 0 "[ . 1 . 2]" 1
625 1 28 THR H 1 56 GLU QG . . 5.340 4.456 4.114 4.910 . 0 0 "[ . 1 . 2]" 1
626 1 28 THR HA 1 28 THR MG . . 2.690 2.450 2.428 2.473 . 0 0 "[ . 1 . 2]" 1
627 1 28 THR HA 1 30 ALA MB . . 5.070 4.312 4.281 4.432 . 0 0 "[ . 1 . 2]" 1
628 1 28 THR HA 1 31 LYS H . . 4.080 3.615 3.438 3.667 . 0 0 "[ . 1 . 2]" 1
629 1 28 THR HA 1 31 LYS QB . . 4.070 3.662 3.217 4.107 0.037 19 0 "[ . 1 . 2]" 1
630 1 28 THR HA 1 31 LYS QD . . 4.860 4.438 2.891 4.843 . 0 0 "[ . 1 . 2]" 1
631 1 28 THR HB 1 29 ALA H . . 3.830 3.828 3.751 3.874 0.044 4 0 "[ . 1 . 2]" 1
632 1 28 THR MG 1 56 GLU H . . 4.720 4.769 4.737 4.795 0.075 17 0 "[ . 1 . 2]" 1
633 1 28 THR MG 1 56 GLU HB2 . . 5.500 3.735 3.478 3.997 . 0 0 "[ . 1 . 2]" 1
634 1 28 THR MG 1 56 GLU QB . . 4.760 3.604 3.387 3.813 . 0 0 "[ . 1 . 2]" 1
635 1 28 THR MG 1 56 GLU HB3 . . 5.500 4.750 4.549 4.981 . 0 0 "[ . 1 . 2]" 1
636 1 28 THR MG 1 56 GLU QG . . 5.340 4.614 4.200 4.965 . 0 0 "[ . 1 . 2]" 1
637 1 29 ALA H 1 29 ALA MB . . 3.200 2.032 2.023 2.050 . 0 0 "[ . 1 . 2]" 1
638 1 29 ALA H 1 30 ALA H . . 3.670 2.686 2.677 2.691 . 0 0 "[ . 1 . 2]" 1
639 1 29 ALA H 1 49 LEU MD1 . . 5.500 4.216 3.645 5.184 . 0 0 "[ . 1 . 2]" 1
640 1 29 ALA H 1 49 LEU QD . . 4.620 4.044 3.600 4.650 0.030 4 0 "[ . 1 . 2]" 1
641 1 29 ALA H 1 49 LEU MD2 . . 5.500 5.558 5.258 5.619 0.119 16 0 "[ . 1 . 2]" 1
642 1 29 ALA HA 1 49 LEU QD . . 3.800 3.734 3.526 3.847 0.047 4 0 "[ . 1 . 2]" 1
643 1 29 ALA MB 1 30 ALA H . . 3.560 2.891 2.874 2.904 . 0 0 "[ . 1 . 2]" 1
644 1 30 ALA H 1 30 ALA MB . . 2.870 2.109 2.080 2.137 . 0 0 "[ . 1 . 2]" 1
645 1 30 ALA MB 1 31 LYS H . . 3.330 2.728 2.619 2.826 . 0 0 "[ . 1 . 2]" 1
646 1 30 ALA MB 1 32 SER H . . 5.100 4.373 4.314 4.439 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS H 1 31 LYS HB2 . . 3.710 2.688 2.182 3.633 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS H 1 31 LYS QB . . 3.020 2.325 2.153 2.429 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS H 1 31 LYS HB3 . . 3.710 2.809 2.414 3.656 . 0 0 "[ . 1 . 2]" 1
650 1 31 LYS H 1 31 LYS HG2 . . 5.110 4.327 2.477 4.658 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS H 1 31 LYS QG . . 5.100 3.754 2.440 4.097 . 0 0 "[ . 1 . 2]" 1
652 1 31 LYS H 1 31 LYS HG3 . . 5.110 4.264 3.063 4.784 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS HA 1 31 LYS QG . . 3.510 2.432 2.047 3.299 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS QB 1 32 SER H . . 3.960 2.938 2.881 3.559 . 0 0 "[ . 1 . 2]" 1
655 1 31 LYS HB2 1 32 SER H . . 4.930 3.782 2.973 4.172 . 0 0 "[ . 1 . 2]" 1
656 1 31 LYS HB3 1 32 SER H . . 4.930 3.219 2.955 3.902 . 0 0 "[ . 1 . 2]" 1
657 1 31 LYS QE 1 32 SER H . . 5.220 4.775 3.885 5.173 . 0 0 "[ . 1 . 2]" 1
658 1 31 LYS QG 1 32 SER H . . 5.310 4.131 2.425 4.574 . 0 0 "[ . 1 . 2]" 1
659 1 31 LYS HG2 1 32 SER H . . 5.500 4.508 2.544 5.422 . 0 0 "[ . 1 . 2]" 1
660 1 31 LYS HG3 1 32 SER H . . 5.500 4.999 3.055 5.305 . 0 0 "[ . 1 . 2]" 1
661 1 32 SER H 1 32 SER HB2 . . 3.670 2.674 2.187 3.677 0.007 8 0 "[ . 1 . 2]" 1
662 1 32 SER H 1 32 SER QB . . 3.180 2.449 2.163 2.932 . 0 0 "[ . 1 . 2]" 1
663 1 32 SER H 1 32 SER HB3 . . 3.670 3.319 2.369 3.676 0.006 20 0 "[ . 1 . 2]" 1
664 1 32 SER H 1 33 HIS H . . 4.920 4.396 4.169 4.525 . 0 0 "[ . 1 . 2]" 1
665 1 32 SER H 1 33 HIS HA . . 5.350 5.075 4.934 5.199 . 0 0 "[ . 1 . 2]" 1
666 1 32 SER HA 1 33 HIS H . . 3.090 2.365 2.138 2.643 . 0 0 "[ . 1 . 2]" 1
667 1 32 SER HA 1 33 HIS QB . . 4.630 4.206 4.000 4.594 . 0 0 "[ . 1 . 2]" 1
668 1 32 SER QB 1 33 HIS H . . 3.610 2.898 1.938 3.622 0.012 20 0 "[ . 1 . 2]" 1
669 1 32 SER HB2 1 33 HIS H . . 4.550 3.781 1.948 4.534 . 0 0 "[ . 1 . 2]" 1
670 1 32 SER HB3 1 33 HIS H . . 4.550 3.222 2.063 4.272 . 0 0 "[ . 1 . 2]" 1
671 1 33 HIS H 1 33 HIS HB2 . . 3.960 2.753 2.134 3.769 . 0 0 "[ . 1 . 2]" 1
672 1 33 HIS H 1 33 HIS QB . . 3.250 2.535 2.114 3.175 . 0 0 "[ . 1 . 2]" 1
673 1 33 HIS H 1 33 HIS HB3 . . 3.960 3.463 2.705 3.782 . 0 0 "[ . 1 . 2]" 1
674 1 33 HIS H 1 33 HIS HD2 . . 5.310 4.108 2.670 5.284 . 0 0 "[ . 1 . 2]" 1
675 1 33 HIS H 1 34 PRO HD2 . . 5.350 4.770 4.734 4.807 . 0 0 "[ . 1 . 2]" 1
676 1 33 HIS H 1 34 PRO QD . . 4.680 4.353 4.342 4.367 . 0 0 "[ . 1 . 2]" 1
677 1 33 HIS H 1 34 PRO HD3 . . 5.360 5.030 4.947 5.097 . 0 0 "[ . 1 . 2]" 1
678 1 33 HIS HA 1 34 PRO HD2 . . 3.300 2.486 2.433 2.514 . 0 0 "[ . 1 . 2]" 1
679 1 33 HIS HA 1 34 PRO HD3 . . 3.300 2.336 2.312 2.349 . 0 0 "[ . 1 . 2]" 1
680 1 33 HIS HA 1 34 PRO HG2 . . 4.870 4.583 4.539 4.605 . 0 0 "[ . 1 . 2]" 1
681 1 33 HIS HA 1 34 PRO HG3 . . 4.820 4.526 4.491 4.544 . 0 0 "[ . 1 . 2]" 1
682 1 33 HIS QB 1 34 PRO QD . . 3.380 2.017 1.938 2.150 . 0 0 "[ . 1 . 2]" 1
683 1 34 PRO HA 1 35 ILE H . . 3.180 2.647 2.640 2.674 . 0 0 "[ . 1 . 2]" 1
684 1 34 PRO HA 1 35 ILE HA . . 4.560 4.436 4.399 4.488 . 0 0 "[ . 1 . 2]" 1
685 1 34 PRO HA 1 35 ILE MD . . 4.790 4.363 2.970 4.799 0.009 10 0 "[ . 1 . 2]" 1
686 1 34 PRO HA 1 35 ILE HG12 . . 4.970 4.798 4.591 5.076 0.106 12 0 "[ . 1 . 2]" 1
687 1 34 PRO HA 1 35 ILE QG . . 4.360 3.353 3.322 3.374 . 0 0 "[ . 1 . 2]" 1
688 1 34 PRO HA 1 35 ILE HG13 . . 4.970 3.425 3.407 3.451 . 0 0 "[ . 1 . 2]" 1
689 1 34 PRO HA 1 35 ILE MG . . 5.500 5.498 5.409 5.539 0.039 7 0 "[ . 1 . 2]" 1
690 1 34 PRO HA 1 45 TYR QE . . 4.590 4.493 4.160 4.602 0.012 15 0 "[ . 1 . 2]" 1
691 1 34 PRO HA 1 49 LEU QD . . 5.440 4.124 3.732 4.556 . 0 0 "[ . 1 . 2]" 1
692 1 34 PRO QB 1 35 ILE H . . 3.900 2.032 1.979 2.046 . 0 0 "[ . 1 . 2]" 1
693 1 34 PRO HB2 1 35 ILE H . . 4.480 2.055 1.999 2.069 . 0 0 "[ . 1 . 2]" 1
694 1 34 PRO HB3 1 35 ILE H . . 4.480 3.202 3.181 3.208 . 0 0 "[ . 1 . 2]" 1
695 1 34 PRO HD2 1 35 ILE H . . 5.500 5.357 5.326 5.366 . 0 0 "[ . 1 . 2]" 1
696 1 34 PRO HD3 1 35 ILE H . . 5.500 5.379 5.358 5.385 . 0 0 "[ . 1 . 2]" 1
697 1 35 ILE H 1 35 ILE HB . . 3.600 2.668 2.584 2.851 . 0 0 "[ . 1 . 2]" 1
698 1 35 ILE H 1 35 ILE MD . . 4.740 3.621 2.601 4.013 . 0 0 "[ . 1 . 2]" 1
699 1 35 ILE H 1 35 ILE HG12 . . 4.330 3.949 3.703 4.294 . 0 0 "[ . 1 . 2]" 1
700 1 35 ILE H 1 35 ILE QG . . 3.790 2.699 2.430 2.970 . 0 0 "[ . 1 . 2]" 1
701 1 35 ILE H 1 35 ILE HG13 . . 4.330 2.748 2.464 3.028 . 0 0 "[ . 1 . 2]" 1
702 1 35 ILE H 1 35 ILE MG . . 4.500 3.860 3.828 3.937 . 0 0 "[ . 1 . 2]" 1
703 1 35 ILE H 1 36 HIS H . . 5.160 4.375 4.323 4.432 . 0 0 "[ . 1 . 2]" 1
704 1 35 ILE H 1 45 TYR QE . . 5.500 5.336 5.089 5.462 . 0 0 "[ . 1 . 2]" 1
705 1 35 ILE HA 1 35 ILE MD . . 3.800 3.819 3.726 3.868 0.068 10 0 "[ . 1 . 2]" 1
706 1 35 ILE HA 1 35 ILE QG . . 3.630 2.445 2.413 2.492 . 0 0 "[ . 1 . 2]" 1
707 1 35 ILE HA 1 35 ILE HG13 . . 4.160 2.911 2.548 3.094 . 0 0 "[ . 1 . 2]" 1
708 1 35 ILE HA 1 35 ILE MG . . 3.410 2.323 2.170 2.396 . 0 0 "[ . 1 . 2]" 1
709 1 35 ILE HA 1 36 HIS H . . 2.950 2.153 2.144 2.182 . 0 0 "[ . 1 . 2]" 1
710 1 35 ILE HA 1 36 HIS HA . . 4.770 4.405 4.400 4.418 . 0 0 "[ . 1 . 2]" 1
711 1 35 ILE HA 1 36 HIS QB . . 4.510 4.138 3.945 4.472 . 0 0 "[ . 1 . 2]" 1
712 1 35 ILE HA 1 38 LYS HB2 . . 5.500 4.945 4.607 5.278 . 0 0 "[ . 1 . 2]" 1
713 1 35 ILE HA 1 38 LYS QB . . 5.340 4.772 4.459 5.092 . 0 0 "[ . 1 . 2]" 1
714 1 35 ILE HA 1 41 VAL MG1 . . 5.310 5.069 4.770 5.316 0.006 12 0 "[ . 1 . 2]" 1
715 1 35 ILE HB 1 35 ILE MD . . 3.410 2.300 2.002 2.437 . 0 0 "[ . 1 . 2]" 1
716 1 35 ILE HB 1 36 HIS H . . 4.650 4.130 3.943 4.213 . 0 0 "[ . 1 . 2]" 1
717 1 35 ILE MD 1 35 ILE MG . . 2.950 2.241 1.922 2.981 0.031 8 0 "[ . 1 . 2]" 1
718 1 35 ILE MD 1 36 HIS H . . 5.140 5.142 5.131 5.165 0.025 16 0 "[ . 1 . 2]" 1
719 1 35 ILE MD 1 45 TYR QD . . 4.110 2.715 2.308 3.016 . 0 0 "[ . 1 . 2]" 1
720 1 35 ILE MD 1 45 TYR QE . . 3.740 2.699 2.105 3.134 . 0 0 "[ . 1 . 2]" 1
721 1 35 ILE QG 1 36 HIS H . . 4.580 4.197 4.129 4.299 . 0 0 "[ . 1 . 2]" 1
722 1 35 ILE QG 1 41 VAL MG1 . . 4.290 3.193 2.633 3.421 . 0 0 "[ . 1 . 2]" 1
723 1 35 ILE QG 1 45 TYR QE . . 4.700 2.867 2.490 3.261 . 0 0 "[ . 1 . 2]" 1
724 1 35 ILE HG12 1 36 HIS H . . 5.500 4.587 4.394 5.086 . 0 0 "[ . 1 . 2]" 1
725 1 35 ILE HG12 1 41 VAL MG1 . . 4.080 3.310 2.663 3.589 . 0 0 "[ . 1 . 2]" 1
726 1 35 ILE HG12 1 45 TYR QE . . 5.500 3.236 2.960 3.765 . 0 0 "[ . 1 . 2]" 1
727 1 35 ILE HG13 1 36 HIS H . . 5.500 4.952 4.618 5.105 . 0 0 "[ . 1 . 2]" 1
728 1 35 ILE HG13 1 45 TYR QE . . 5.500 3.224 2.675 3.781 . 0 0 "[ . 1 . 2]" 1
729 1 35 ILE MG 1 36 HIS H . . 3.570 2.558 2.137 2.727 . 0 0 "[ . 1 . 2]" 1
730 1 35 ILE MG 1 36 HIS HA . . 4.530 3.565 3.414 3.779 . 0 0 "[ . 1 . 2]" 1
731 1 35 ILE MG 1 36 HIS QB . . 5.210 4.403 4.308 4.606 . 0 0 "[ . 1 . 2]" 1
732 1 35 ILE MG 1 37 GLY H . . 5.120 4.849 4.637 5.121 0.001 8 0 "[ . 1 . 2]" 1
733 1 35 ILE MG 1 37 GLY QA . . 5.340 5.049 4.906 5.127 . 0 0 "[ . 1 . 2]" 1
734 1 35 ILE MG 1 38 LYS H . . 4.130 3.758 3.470 4.036 . 0 0 "[ . 1 . 2]" 1
735 1 35 ILE MG 1 38 LYS HA . . 5.140 4.500 4.255 4.738 . 0 0 "[ . 1 . 2]" 1
736 1 35 ILE MG 1 38 LYS HB2 . . 3.570 2.079 1.945 2.265 . 0 0 "[ . 1 . 2]" 1
737 1 35 ILE MG 1 38 LYS QB . . 3.550 2.044 1.900 2.222 . 0 0 "[ . 1 . 2]" 1
738 1 35 ILE MG 1 38 LYS QD . . 3.640 2.368 2.005 3.488 . 0 0 "[ . 1 . 2]" 1
739 1 35 ILE MG 1 38 LYS QE . . 4.940 3.751 2.810 4.607 . 0 0 "[ . 1 . 2]" 1
740 1 35 ILE MG 1 41 VAL HA . . 5.500 5.186 4.894 5.486 . 0 0 "[ . 1 . 2]" 1
741 1 36 HIS H 1 36 HIS HB2 . . 3.870 3.058 2.607 3.860 . 0 0 "[ . 1 . 2]" 1
742 1 36 HIS H 1 36 HIS QB . . 3.390 2.749 2.542 3.136 . 0 0 "[ . 1 . 2]" 1
743 1 36 HIS H 1 36 HIS HB3 . . 3.890 3.314 2.976 3.772 . 0 0 "[ . 1 . 2]" 1
744 1 36 HIS H 1 38 LYS H . . 5.210 4.795 4.536 5.106 . 0 0 "[ . 1 . 2]" 1
745 1 36 HIS H 1 38 LYS QB . . 5.340 4.122 3.808 4.479 . 0 0 "[ . 1 . 2]" 1
746 1 36 HIS H 1 38 LYS QD . . 5.490 4.811 4.304 5.437 . 0 0 "[ . 1 . 2]" 1
747 1 36 HIS H 1 38 LYS QG . . 5.500 3.603 3.138 3.900 . 0 0 "[ . 1 . 2]" 1
748 1 36 HIS HA 1 37 GLY H . . 3.120 2.367 2.249 2.480 . 0 0 "[ . 1 . 2]" 1
749 1 36 HIS HA 1 37 GLY HA2 . . 5.120 4.499 4.456 4.565 . 0 0 "[ . 1 . 2]" 1
750 1 36 HIS HA 1 37 GLY QA . . 4.300 4.044 3.988 4.099 . 0 0 "[ . 1 . 2]" 1
751 1 36 HIS HA 1 37 GLY HA3 . . 5.120 4.582 4.498 4.639 . 0 0 "[ . 1 . 2]" 1
752 1 36 HIS HA 1 38 LYS H . . 4.480 3.540 3.374 3.780 . 0 0 "[ . 1 . 2]" 1
753 1 36 HIS HA 1 38 LYS QB . . 5.340 4.253 4.104 4.481 . 0 0 "[ . 1 . 2]" 1
754 1 36 HIS QB 1 37 GLY H . . 4.250 2.789 2.255 3.270 . 0 0 "[ . 1 . 2]" 1
755 1 36 HIS QB 1 37 GLY QA . . 5.180 3.653 3.523 3.867 . 0 0 "[ . 1 . 2]" 1
756 1 37 GLY H 1 38 LYS H . . 3.850 2.822 2.693 2.913 . 0 0 "[ . 1 . 2]" 1
757 1 37 GLY H 1 38 LYS HB2 . . 5.500 4.830 4.714 5.023 . 0 0 "[ . 1 . 2]" 1
758 1 37 GLY H 1 38 LYS QB . . 5.340 4.683 4.576 4.851 . 0 0 "[ . 1 . 2]" 1
759 1 37 GLY H 1 38 LYS QG . . 5.500 4.932 4.569 5.236 . 0 0 "[ . 1 . 2]" 1
760 1 37 GLY QA 1 38 LYS QB . . 5.180 4.436 4.345 4.555 . 0 0 "[ . 1 . 2]" 1
761 1 37 GLY QA 1 38 LYS QG . . 4.500 3.996 3.637 4.304 . 0 0 "[ . 1 . 2]" 1
762 1 37 GLY HA2 1 38 LYS HB2 . . 5.500 5.206 5.078 5.392 . 0 0 "[ . 1 . 2]" 1
763 1 37 GLY HA2 1 38 LYS QG . . 5.500 4.821 4.498 5.140 . 0 0 "[ . 1 . 2]" 1
764 1 37 GLY HA3 1 38 LYS HB2 . . 5.500 5.263 5.135 5.462 . 0 0 "[ . 1 . 2]" 1
765 1 37 GLY HA3 1 38 LYS QG . . 5.500 4.266 3.841 4.619 . 0 0 "[ . 1 . 2]" 1
766 1 38 LYS H 1 38 LYS HB2 . . 3.560 2.595 2.437 2.742 . 0 0 "[ . 1 . 2]" 1
767 1 38 LYS H 1 38 LYS QB . . 3.370 2.546 2.398 2.681 . 0 0 "[ . 1 . 2]" 1
768 1 38 LYS H 1 38 LYS QG . . 3.980 3.416 3.074 3.580 . 0 0 "[ . 1 . 2]" 1
769 1 38 LYS H 1 39 THR H . . 4.600 4.385 4.257 4.474 . 0 0 "[ . 1 . 2]" 1
770 1 38 LYS HA 1 38 LYS QD . . 4.800 3.597 2.447 3.992 . 0 0 "[ . 1 . 2]" 1
771 1 38 LYS HA 1 38 LYS QG . . 3.260 2.197 2.076 2.614 . 0 0 "[ . 1 . 2]" 1
772 1 38 LYS HA 1 39 THR H . . 3.210 2.275 2.178 2.494 . 0 0 "[ . 1 . 2]" 1
773 1 38 LYS HA 1 40 ASP H . . 5.040 4.457 4.151 4.913 . 0 0 "[ . 1 . 2]" 1
774 1 38 LYS QB 1 39 THR H . . 3.780 2.806 2.206 3.150 . 0 0 "[ . 1 . 2]" 1
775 1 38 LYS QB 1 39 THR HB . . 5.340 4.827 4.379 4.998 . 0 0 "[ . 1 . 2]" 1
776 1 38 LYS QB 1 40 ASP H . . 4.320 3.101 2.958 3.298 . 0 0 "[ . 1 . 2]" 1
777 1 38 LYS QB 1 40 ASP HA . . 5.340 4.095 3.972 4.230 . 0 0 "[ . 1 . 2]" 1
778 1 38 LYS QB 1 41 VAL MG1 . . 3.920 3.278 2.931 3.808 . 0 0 "[ . 1 . 2]" 1
779 1 38 LYS HB2 1 39 THR H . . 4.880 4.065 3.587 4.329 . 0 0 "[ . 1 . 2]" 1
780 1 38 LYS HB2 1 40 ASP H . . 5.500 4.612 4.417 4.959 . 0 0 "[ . 1 . 2]" 1
781 1 38 LYS HB2 1 41 VAL MG1 . . 4.510 3.975 3.618 4.441 . 0 0 "[ . 1 . 2]" 1
782 1 38 LYS HB3 1 38 LYS QE . . 4.950 3.470 2.502 3.973 . 0 0 "[ . 1 . 2]" 1
783 1 38 LYS HB3 1 39 THR H . . 4.430 2.865 2.227 3.236 . 0 0 "[ . 1 . 2]" 1
784 1 38 LYS HB3 1 39 THR HB . . 5.190 4.994 4.501 5.183 . 0 0 "[ . 1 . 2]" 1
785 1 38 LYS HB3 1 40 ASP H . . 4.370 3.153 2.992 3.349 . 0 0 "[ . 1 . 2]" 1
786 1 38 LYS HB3 1 40 ASP HA . . 5.500 4.335 4.113 4.555 . 0 0 "[ . 1 . 2]" 1
787 1 38 LYS HB3 1 41 VAL MG1 . . 4.510 3.496 3.098 4.177 . 0 0 "[ . 1 . 2]" 1
788 1 38 LYS QD 1 39 THR H . . 5.500 4.060 3.136 4.881 . 0 0 "[ . 1 . 2]" 1
789 1 38 LYS QD 1 40 ASP H . . 4.900 4.144 3.412 4.731 . 0 0 "[ . 1 . 2]" 1
790 1 38 LYS QG 1 39 THR H . . 4.930 3.778 3.411 4.427 . 0 0 "[ . 1 . 2]" 1
791 1 39 THR H 1 39 THR HB . . 3.710 2.953 2.802 3.303 . 0 0 "[ . 1 . 2]" 1
792 1 39 THR H 1 39 THR MG . . 4.550 3.662 3.326 3.826 . 0 0 "[ . 1 . 2]" 1
793 1 39 THR H 1 40 ASP H . . 3.600 2.703 2.213 3.045 . 0 0 "[ . 1 . 2]" 1
794 1 39 THR HA 1 39 THR MG . . 3.040 2.126 1.962 2.280 . 0 0 "[ . 1 . 2]" 1
795 1 39 THR HB 1 40 ASP H . . 3.540 2.410 2.034 2.632 . 0 0 "[ . 1 . 2]" 1
796 1 39 THR HB 1 40 ASP HA . . 4.670 4.617 4.481 4.670 0.000 14 0 "[ . 1 . 2]" 1
797 1 39 THR HB 1 40 ASP HB2 . . 5.500 4.982 4.799 5.194 . 0 0 "[ . 1 . 2]" 1
798 1 39 THR HB 1 40 ASP QB . . 5.250 4.105 3.916 4.276 . 0 0 "[ . 1 . 2]" 1
799 1 39 THR HB 1 40 ASP HB3 . . 5.500 4.372 4.124 4.550 . 0 0 "[ . 1 . 2]" 1
800 1 39 THR MG 1 40 ASP H . . 3.970 3.782 3.418 3.965 . 0 0 "[ . 1 . 2]" 1
801 1 40 ASP H 1 40 ASP HB2 . . 4.200 3.981 3.933 4.030 . 0 0 "[ . 1 . 2]" 1
802 1 40 ASP H 1 40 ASP QB . . 3.700 3.428 3.404 3.442 . 0 0 "[ . 1 . 2]" 1
803 1 40 ASP H 1 40 ASP HB3 . . 4.200 3.742 3.671 3.786 . 0 0 "[ . 1 . 2]" 1
804 1 40 ASP H 1 41 VAL H . . 5.060 4.208 4.098 4.300 . 0 0 "[ . 1 . 2]" 1
805 1 40 ASP H 1 41 VAL HA . . 5.480 4.548 4.519 4.571 . 0 0 "[ . 1 . 2]" 1
806 1 40 ASP H 1 41 VAL MG1 . . 4.930 4.121 3.965 4.354 . 0 0 "[ . 1 . 2]" 1
807 1 40 ASP H 1 41 VAL MG2 . . 5.500 5.087 4.922 5.270 . 0 0 "[ . 1 . 2]" 1
808 1 40 ASP HA 1 41 VAL H . . 3.210 2.260 2.186 2.360 . 0 0 "[ . 1 . 2]" 1
809 1 40 ASP HA 1 41 VAL MG1 . . 4.690 3.959 3.873 4.038 . 0 0 "[ . 1 . 2]" 1
810 1 40 ASP HA 1 41 VAL MG2 . . 4.200 3.555 3.421 3.619 . 0 0 "[ . 1 . 2]" 1
811 1 40 ASP QB 1 41 VAL H . . 3.400 2.775 2.519 3.016 . 0 0 "[ . 1 . 2]" 1
812 1 40 ASP QB 1 41 VAL HA . . 4.620 4.306 4.251 4.356 . 0 0 "[ . 1 . 2]" 1
813 1 40 ASP HB2 1 41 VAL H . . 3.900 2.859 2.574 3.146 . 0 0 "[ . 1 . 2]" 1
814 1 40 ASP HB2 1 41 VAL HA . . 5.020 4.450 4.387 4.508 . 0 0 "[ . 1 . 2]" 1
815 1 40 ASP HB2 1 41 VAL MG2 . . 5.500 4.354 4.023 4.634 . 0 0 "[ . 1 . 2]" 1
816 1 40 ASP HB3 1 41 VAL H . . 3.920 3.774 3.577 3.873 . 0 0 "[ . 1 . 2]" 1
817 1 40 ASP HB3 1 41 VAL MG2 . . 5.500 5.097 4.861 5.221 . 0 0 "[ . 1 . 2]" 1
818 1 41 VAL H 1 41 VAL MG1 . . 3.950 3.108 3.027 3.146 . 0 0 "[ . 1 . 2]" 1
819 1 41 VAL H 1 41 VAL MG2 . . 3.310 2.004 1.901 2.066 . 0 0 "[ . 1 . 2]" 1
820 1 41 VAL H 1 42 PRO HD2 . . 5.430 4.800 4.798 4.802 . 0 0 "[ . 1 . 2]" 1
821 1 41 VAL H 1 42 PRO QD . . 4.840 4.371 4.369 4.374 . 0 0 "[ . 1 . 2]" 1
822 1 41 VAL H 1 42 PRO HD3 . . 5.410 5.032 5.023 5.039 . 0 0 "[ . 1 . 2]" 1
823 1 41 VAL H 1 45 TYR HB3 . . 5.500 5.436 5.295 5.505 0.005 3 0 "[ . 1 . 2]" 1
824 1 41 VAL HA 1 41 VAL MG1 . . 3.350 2.121 2.088 2.195 . 0 0 "[ . 1 . 2]" 1
825 1 41 VAL HA 1 42 PRO HD2 . . 3.420 2.429 2.418 2.434 . 0 0 "[ . 1 . 2]" 1
826 1 41 VAL HA 1 42 PRO QD . . 2.910 2.107 2.100 2.109 . 0 0 "[ . 1 . 2]" 1
827 1 41 VAL HA 1 42 PRO HD3 . . 3.310 2.311 2.306 2.313 . 0 0 "[ . 1 . 2]" 1
828 1 41 VAL HA 1 42 PRO HG2 . . 5.340 4.536 4.528 4.541 . 0 0 "[ . 1 . 2]" 1
829 1 41 VAL HA 1 42 PRO HG3 . . 4.950 4.489 4.483 4.492 . 0 0 "[ . 1 . 2]" 1
830 1 41 VAL HA 1 45 TYR QD . . 5.360 4.854 4.568 5.362 0.002 4 0 "[ . 1 . 2]" 1
831 1 41 VAL HB 1 42 PRO HD2 . . 3.580 1.974 1.972 1.976 . 0 0 "[ . 1 . 2]" 1
832 1 41 VAL HB 1 42 PRO QD . . 3.470 1.962 1.960 1.964 . 0 0 "[ . 1 . 2]" 1
833 1 41 VAL HB 1 42 PRO HD3 . . 3.660 3.429 3.426 3.430 . 0 0 "[ . 1 . 2]" 1
834 1 41 VAL HB 1 45 TYR H . . 5.190 4.121 4.037 4.208 . 0 0 "[ . 1 . 2]" 1
835 1 41 VAL HB 1 45 TYR HB3 . . 4.890 2.561 2.405 2.693 . 0 0 "[ . 1 . 2]" 1
836 1 41 VAL HB 1 45 TYR QD . . 4.300 3.092 2.777 3.575 . 0 0 "[ . 1 . 2]" 1
837 1 41 VAL MG1 1 42 PRO HD2 . . 4.110 2.806 2.735 2.885 . 0 0 "[ . 1 . 2]" 1
838 1 41 VAL MG1 1 42 PRO QD . . 3.450 2.708 2.655 2.780 . 0 0 "[ . 1 . 2]" 1
839 1 41 VAL MG1 1 42 PRO HD3 . . 4.110 3.569 3.508 3.638 . 0 0 "[ . 1 . 2]" 1
840 1 41 VAL MG1 1 45 TYR QD . . 4.010 2.733 2.328 3.356 . 0 0 "[ . 1 . 2]" 1
841 1 41 VAL MG1 1 45 TYR QE . . 4.520 3.349 3.032 3.816 . 0 0 "[ . 1 . 2]" 1
842 1 41 VAL MG2 1 42 PRO HG2 . . 5.180 4.893 4.866 4.906 . 0 0 "[ . 1 . 2]" 1
843 1 41 VAL MG2 1 45 TYR H . . 5.210 4.460 4.376 4.520 . 0 0 "[ . 1 . 2]" 1
844 1 41 VAL MG2 1 45 TYR HB2 . . 4.400 3.402 3.283 3.558 . 0 0 "[ . 1 . 2]" 1
845 1 41 VAL MG2 1 45 TYR HB3 . . 3.990 2.324 2.135 2.475 . 0 0 "[ . 1 . 2]" 1
846 1 41 VAL MG2 1 45 TYR QD . . 3.990 3.350 2.941 3.515 . 0 0 "[ . 1 . 2]" 1
847 1 41 VAL MG2 1 46 GLY H . . 4.800 3.711 3.534 3.818 . 0 0 "[ . 1 . 2]" 1
848 1 41 VAL MG2 1 46 GLY HA2 . . 5.500 4.430 4.179 4.652 . 0 0 "[ . 1 . 2]" 1
849 1 41 VAL MG2 1 46 GLY HA3 . . 5.460 4.502 4.312 4.688 . 0 0 "[ . 1 . 2]" 1
850 1 42 PRO HA 1 43 VAL H . . 3.030 2.287 2.274 2.305 . 0 0 "[ . 1 . 2]" 1
851 1 42 PRO HA 1 44 SER H . . 4.360 4.063 4.034 4.095 . 0 0 "[ . 1 . 2]" 1
852 1 42 PRO HB2 1 44 SER H . . 3.820 2.405 2.390 2.428 . 0 0 "[ . 1 . 2]" 1
853 1 42 PRO HB2 1 44 SER QB . . 4.330 2.745 2.645 3.449 . 0 0 "[ . 1 . 2]" 1
854 1 42 PRO HB2 1 45 TYR H . . 4.040 3.563 3.520 3.607 . 0 0 "[ . 1 . 2]" 1
855 1 42 PRO HB3 1 43 VAL H . . 4.310 3.624 3.593 3.646 . 0 0 "[ . 1 . 2]" 1
856 1 42 PRO HB3 1 44 SER H . . 4.290 4.108 4.089 4.127 . 0 0 "[ . 1 . 2]" 1
857 1 42 PRO QD 1 45 TYR QD . . 3.980 3.136 2.934 3.539 . 0 0 "[ . 1 . 2]" 1
858 1 42 PRO HD2 1 45 TYR QD . . 4.150 3.182 2.969 3.608 . 0 0 "[ . 1 . 2]" 1
859 1 42 PRO HD3 1 45 TYR QD . . 5.110 4.759 4.590 5.120 0.010 1 0 "[ . 1 . 2]" 1
860 1 42 PRO HG2 1 44 SER QB . . 4.960 3.045 2.908 3.136 . 0 0 "[ . 1 . 2]" 1
861 1 42 PRO HG2 1 45 TYR QD . . 4.230 3.864 3.669 3.937 . 0 0 "[ . 1 . 2]" 1
862 1 42 PRO HG3 1 45 TYR QD . . 4.810 4.788 4.630 4.824 0.014 19 0 "[ . 1 . 2]" 1
863 1 43 VAL H 1 43 VAL HB . . 3.360 2.600 2.571 2.625 . 0 0 "[ . 1 . 2]" 1
864 1 43 VAL H 1 43 VAL MG1 . . 4.630 2.089 1.936 2.186 . 0 0 "[ . 1 . 2]" 1
865 1 43 VAL H 1 43 VAL QG . . 3.180 2.078 1.930 2.172 . 0 0 "[ . 1 . 2]" 1
866 1 43 VAL H 1 43 VAL MG2 . . 4.630 3.765 3.764 3.766 . 0 0 "[ . 1 . 2]" 1
867 1 43 VAL HA 1 43 VAL MG1 . . 3.710 3.188 3.180 3.200 . 0 0 "[ . 1 . 2]" 1
868 1 43 VAL HA 1 43 VAL QG . . 3.110 2.285 2.269 2.306 . 0 0 "[ . 1 . 2]" 1
869 1 43 VAL HA 1 43 VAL MG2 . . 3.750 2.341 2.323 2.367 . 0 0 "[ . 1 . 2]" 1
870 1 43 VAL HA 1 45 TYR H . . 4.910 3.921 3.857 3.963 . 0 0 "[ . 1 . 2]" 1
871 1 43 VAL HB 1 47 THR H . . 5.500 5.564 5.537 5.609 0.109 1 0 "[ . 1 . 2]" 1
872 1 43 VAL QG 1 44 SER H . . 3.920 2.028 1.906 2.252 . 0 0 "[ . 1 . 2]" 1
873 1 43 VAL QG 1 44 SER HA . . 4.170 3.122 3.043 3.174 . 0 0 "[ . 1 . 2]" 1
874 1 43 VAL QG 1 45 TYR H . . 5.440 3.992 3.940 4.048 . 0 0 "[ . 1 . 2]" 1
875 1 43 VAL QG 1 47 THR H . . 4.280 3.129 3.053 3.201 . 0 0 "[ . 1 . 2]" 1
876 1 43 VAL QG 1 47 THR HA . . 5.130 4.064 3.975 4.147 . 0 0 "[ . 1 . 2]" 1
877 1 43 VAL QG 1 47 THR MG . . 3.870 1.794 1.713 1.845 . 0 0 "[ . 1 . 2]" 1
878 1 43 VAL QG 1 48 SER H . . 5.440 5.142 5.083 5.218 . 0 0 "[ . 1 . 2]" 1
879 1 43 VAL MG1 1 44 SER H . . 4.730 2.040 1.913 2.272 . 0 0 "[ . 1 . 2]" 1
880 1 43 VAL MG1 1 44 SER HA . . 4.790 3.399 3.254 3.518 . 0 0 "[ . 1 . 2]" 1
881 1 43 VAL MG1 1 45 TYR H . . 5.500 4.314 4.254 4.393 . 0 0 "[ . 1 . 2]" 1
882 1 43 VAL MG2 1 44 SER H . . 4.730 3.625 3.581 3.681 . 0 0 "[ . 1 . 2]" 1
883 1 43 VAL MG2 1 44 SER HA . . 4.790 3.647 3.603 3.733 . 0 0 "[ . 1 . 2]" 1
884 1 44 SER H 1 44 SER QB . . 3.260 2.116 2.049 2.807 . 0 0 "[ . 1 . 2]" 1
885 1 44 SER HA 1 46 GLY H . . 4.840 4.755 4.694 4.801 . 0 0 "[ . 1 . 2]" 1
886 1 44 SER HA 1 47 THR H . . 4.010 3.743 3.657 3.805 . 0 0 "[ . 1 . 2]" 1
887 1 44 SER HA 1 47 THR MG . . 4.090 3.241 2.923 3.553 . 0 0 "[ . 1 . 2]" 1
888 1 44 SER QB 1 45 TYR H . . 3.910 2.860 2.808 2.992 . 0 0 "[ . 1 . 2]" 1
889 1 44 SER QB 1 45 TYR HB2 . . 4.600 4.121 4.028 4.426 . 0 0 "[ . 1 . 2]" 1
890 1 45 TYR H 1 45 TYR HB2 . . 3.910 2.292 2.268 2.308 . 0 0 "[ . 1 . 2]" 1
891 1 45 TYR H 1 45 TYR HB3 . . 3.560 2.841 2.834 2.857 . 0 0 "[ . 1 . 2]" 1
892 1 45 TYR H 1 45 TYR QD . . 4.280 4.128 4.083 4.150 . 0 0 "[ . 1 . 2]" 1
893 1 45 TYR H 1 46 GLY H . . 3.520 2.606 2.575 2.653 . 0 0 "[ . 1 . 2]" 1
894 1 45 TYR H 1 46 GLY HA3 . . 5.460 4.862 4.824 4.919 . 0 0 "[ . 1 . 2]" 1
895 1 45 TYR HA 1 45 TYR QD . . 3.810 2.941 2.878 3.066 . 0 0 "[ . 1 . 2]" 1
896 1 45 TYR HB2 1 46 GLY H . . 4.400 3.502 3.487 3.512 . 0 0 "[ . 1 . 2]" 1
897 1 45 TYR HB3 1 46 GLY H . . 3.930 2.435 2.428 2.450 . 0 0 "[ . 1 . 2]" 1
898 1 45 TYR HB3 1 47 THR H . . 5.190 4.901 4.852 4.954 . 0 0 "[ . 1 . 2]" 1
899 1 45 TYR QD 1 46 GLY H . . 5.070 3.883 3.867 3.893 . 0 0 "[ . 1 . 2]" 1
900 1 45 TYR QD 1 46 GLY HA2 . . 5.480 3.523 3.496 3.573 . 0 0 "[ . 1 . 2]" 1
901 1 45 TYR QD 1 46 GLY HA3 . . 4.930 4.769 4.711 4.805 . 0 0 "[ . 1 . 2]" 1
902 1 45 TYR QE 1 46 GLY HA2 . . 5.500 5.517 5.506 5.545 0.045 12 0 "[ . 1 . 2]" 1
903 1 46 GLY H 1 47 THR H . . 3.420 2.668 2.608 2.710 . 0 0 "[ . 1 . 2]" 1
904 1 46 GLY H 1 47 THR MG . . 4.620 4.406 4.188 4.615 . 0 0 "[ . 1 . 2]" 1
905 1 46 GLY H 1 88 MET HG2 . . 5.500 5.533 5.512 5.570 0.070 12 0 "[ . 1 . 2]" 1
906 1 46 GLY H 1 90 ILE MD . . 4.470 4.098 3.744 4.383 . 0 0 "[ . 1 . 2]" 1
907 1 46 GLY HA2 1 48 SER H . . 4.930 4.087 3.990 4.157 . 0 0 "[ . 1 . 2]" 1
908 1 46 GLY HA2 1 49 LEU H . . 4.210 3.487 3.379 3.531 . 0 0 "[ . 1 . 2]" 1
909 1 46 GLY HA2 1 49 LEU QB . . 3.970 3.248 3.109 3.412 . 0 0 "[ . 1 . 2]" 1
910 1 46 GLY HA2 1 49 LEU QD . . 5.440 4.103 3.980 4.235 . 0 0 "[ . 1 . 2]" 1
911 1 46 GLY HA2 1 88 MET HG2 . . 4.620 4.135 4.014 4.261 . 0 0 "[ . 1 . 2]" 1
912 1 46 GLY HA3 1 47 THR H . . 3.250 2.833 2.795 2.871 . 0 0 "[ . 1 . 2]" 1
913 1 46 GLY HA3 1 48 SER H . . 5.500 4.543 4.503 4.573 . 0 0 "[ . 1 . 2]" 1
914 1 46 GLY HA3 1 49 LEU H . . 4.990 4.675 4.555 4.716 . 0 0 "[ . 1 . 2]" 1
915 1 46 GLY HA3 1 49 LEU QB . . 5.500 4.516 4.378 4.660 . 0 0 "[ . 1 . 2]" 1
916 1 46 GLY HA3 1 88 MET ME . . 5.020 4.359 4.201 4.532 . 0 0 "[ . 1 . 2]" 1
917 1 46 GLY HA3 1 88 MET HG2 . . 5.500 3.485 3.450 3.528 . 0 0 "[ . 1 . 2]" 1
918 1 46 GLY HA3 1 88 MET HG3 . . 5.500 4.783 4.729 4.832 . 0 0 "[ . 1 . 2]" 1
919 1 46 GLY HA3 1 90 ILE MD . . 3.210 2.873 2.631 2.998 . 0 0 "[ . 1 . 2]" 1
920 1 47 THR H 1 47 THR MG . . 3.360 2.395 2.194 2.610 . 0 0 "[ . 1 . 2]" 1
921 1 47 THR H 1 48 SER H . . 3.580 2.716 2.708 2.723 . 0 0 "[ . 1 . 2]" 1
922 1 47 THR H 1 49 LEU H . . 4.880 4.379 4.295 4.442 . 0 0 "[ . 1 . 2]" 1
923 1 47 THR H 1 49 LEU QB . . 5.500 5.337 5.235 5.443 . 0 0 "[ . 1 . 2]" 1
924 1 47 THR H 1 50 LEU QD . . 5.420 5.094 4.949 5.300 . 0 0 "[ . 1 . 2]" 1
925 1 47 THR H 1 90 ILE MD . . 4.190 2.885 2.551 3.078 . 0 0 "[ . 1 . 2]" 1
926 1 47 THR HA 1 47 THR MG . . 3.120 2.288 2.105 2.379 . 0 0 "[ . 1 . 2]" 1
927 1 47 THR HA 1 90 ILE MD . . 4.790 2.437 2.102 2.776 . 0 0 "[ . 1 . 2]" 1
928 1 47 THR HA 1 90 ILE MG . . 4.530 3.687 3.060 3.862 . 0 0 "[ . 1 . 2]" 1
929 1 47 THR HB 1 50 LEU HB2 . . 5.500 4.873 4.628 5.357 . 0 0 "[ . 1 . 2]" 1
930 1 47 THR HB 1 50 LEU HB3 . . 5.070 4.624 4.407 4.937 . 0 0 "[ . 1 . 2]" 1
931 1 47 THR HB 1 50 LEU QD . . 5.150 4.679 4.551 4.858 . 0 0 "[ . 1 . 2]" 1
932 1 47 THR HB 1 93 TRP HB2 . . 4.890 2.536 2.041 2.942 . 0 0 "[ . 1 . 2]" 1
933 1 47 THR HB 1 93 TRP QB . . 4.650 2.505 2.024 2.900 . 0 0 "[ . 1 . 2]" 1
934 1 47 THR MG 1 48 SER H . . 4.430 4.073 3.969 4.159 . 0 0 "[ . 1 . 2]" 1
935 1 47 THR MG 1 50 LEU QD . . 3.740 3.467 3.223 3.741 0.001 15 0 "[ . 1 . 2]" 1
936 1 47 THR MG 1 90 ILE MD . . 3.200 1.899 1.827 2.233 . 0 0 "[ . 1 . 2]" 1
937 1 47 THR MG 1 90 ILE MG . . 2.930 2.173 1.865 2.494 . 0 0 "[ . 1 . 2]" 1
938 1 47 THR MG 1 93 TRP H . . 5.400 4.612 3.870 4.956 . 0 0 "[ . 1 . 2]" 1
939 1 47 THR MG 1 93 TRP HA . . 3.780 2.729 2.348 2.988 . 0 0 "[ . 1 . 2]" 1
940 1 47 THR MG 1 93 TRP HB2 . . 4.130 2.269 2.091 2.493 . 0 0 "[ . 1 . 2]" 1
941 1 47 THR MG 1 93 TRP QB . . 3.700 2.072 1.840 2.377 . 0 0 "[ . 1 . 2]" 1
942 1 47 THR MG 1 93 TRP HB3 . . 4.100 2.416 1.991 2.996 . 0 0 "[ . 1 . 2]" 1
943 1 48 SER H 1 48 SER HB2 . . 3.850 2.297 2.080 2.687 . 0 0 "[ . 1 . 2]" 1
944 1 48 SER H 1 48 SER QB . . 3.190 2.190 2.055 2.476 . 0 0 "[ . 1 . 2]" 1
945 1 48 SER H 1 48 SER HB3 . . 3.850 3.026 2.392 3.592 . 0 0 "[ . 1 . 2]" 1
946 1 48 SER H 1 49 LEU H . . 3.810 2.722 2.631 2.764 . 0 0 "[ . 1 . 2]" 1
947 1 48 SER H 1 49 LEU QB . . 4.830 4.480 4.371 4.522 . 0 0 "[ . 1 . 2]" 1
948 1 48 SER H 1 90 ILE MD . . 4.930 4.759 4.423 4.928 . 0 0 "[ . 1 . 2]" 1
949 1 48 SER QB 1 49 LEU H . . 3.420 2.611 2.494 2.686 . 0 0 "[ . 1 . 2]" 1
950 1 49 LEU H 1 49 LEU QB . . 3.090 2.208 2.125 2.248 . 0 0 "[ . 1 . 2]" 1
951 1 49 LEU H 1 49 LEU MD1 . . 4.470 3.974 3.737 4.074 . 0 0 "[ . 1 . 2]" 1
952 1 49 LEU H 1 49 LEU QD . . 4.060 3.657 3.548 3.697 . 0 0 "[ . 1 . 2]" 1
953 1 49 LEU H 1 49 LEU MD2 . . 4.470 4.296 4.225 4.423 . 0 0 "[ . 1 . 2]" 1
954 1 49 LEU H 1 49 LEU HG . . 5.500 4.409 4.296 4.477 . 0 0 "[ . 1 . 2]" 1
955 1 49 LEU H 1 50 LEU H . . 3.710 2.486 2.473 2.546 . 0 0 "[ . 1 . 2]" 1
956 1 49 LEU H 1 50 LEU HB2 . . 5.220 4.341 4.289 4.562 . 0 0 "[ . 1 . 2]" 1
957 1 49 LEU H 1 50 LEU HB3 . . 5.500 5.317 4.985 5.404 . 0 0 "[ . 1 . 2]" 1
958 1 49 LEU H 1 50 LEU QD . . 5.440 5.422 5.211 5.460 0.020 12 0 "[ . 1 . 2]" 1
959 1 49 LEU H 1 52 ALA MB . . 5.200 4.260 4.185 4.347 . 0 0 "[ . 1 . 2]" 1
960 1 49 LEU H 1 90 ILE MD . . 5.360 5.209 4.765 5.396 0.036 1 0 "[ . 1 . 2]" 1
961 1 49 LEU HA 1 49 LEU MD1 . . 3.960 2.454 1.939 3.529 . 0 0 "[ . 1 . 2]" 1
962 1 49 LEU HA 1 49 LEU QD . . 2.900 2.343 1.933 2.969 0.069 1 0 "[ . 1 . 2]" 1
963 1 49 LEU HA 1 49 LEU MD2 . . 3.960 3.620 3.151 3.766 . 0 0 "[ . 1 . 2]" 1
964 1 49 LEU HA 1 49 LEU HG . . 3.830 2.928 2.186 3.427 . 0 0 "[ . 1 . 2]" 1
965 1 49 LEU HA 1 52 ALA MB . . 3.660 2.193 2.081 2.328 . 0 0 "[ . 1 . 2]" 1
966 1 49 LEU HA 1 53 ALA H . . 4.620 4.045 3.900 4.186 . 0 0 "[ . 1 . 2]" 1
967 1 49 LEU QB 1 49 LEU MD1 . . 3.200 2.257 1.932 2.410 . 0 0 "[ . 1 . 2]" 1
968 1 49 LEU QB 1 49 LEU MD2 . . 3.200 2.038 1.934 2.160 . 0 0 "[ . 1 . 2]" 1
969 1 49 LEU QB 1 50 LEU H . . 3.440 2.659 2.458 2.703 . 0 0 "[ . 1 . 2]" 1
970 1 49 LEU QB 1 50 LEU HA . . 4.960 4.028 3.782 4.182 . 0 0 "[ . 1 . 2]" 1
971 1 49 LEU QB 1 53 ALA H . . 5.500 5.260 4.966 5.455 . 0 0 "[ . 1 . 2]" 1
972 1 49 LEU QD 1 50 LEU H . . 4.330 3.901 3.645 3.992 . 0 0 "[ . 1 . 2]" 1
973 1 49 LEU QD 1 88 MET HG3 . . 5.440 4.982 4.498 5.177 . 0 0 "[ . 1 . 2]" 1
974 1 49 LEU MD1 1 50 LEU H . . 5.090 4.525 4.202 4.987 . 0 0 "[ . 1 . 2]" 1
975 1 49 LEU MD2 1 50 LEU H . . 5.090 4.406 3.769 4.725 . 0 0 "[ . 1 . 2]" 1
976 1 49 LEU HG 1 50 LEU H . . 5.500 4.275 3.850 4.885 . 0 0 "[ . 1 . 2]" 1
977 1 49 LEU HG 1 50 LEU HA . . 5.500 4.476 3.812 5.527 0.027 4 0 "[ . 1 . 2]" 1
978 1 50 LEU H 1 50 LEU HB2 . . 3.310 2.105 2.056 2.293 . 0 0 "[ . 1 . 2]" 1
979 1 50 LEU H 1 50 LEU HB3 . . 4.060 3.042 2.751 3.137 . 0 0 "[ . 1 . 2]" 1
980 1 50 LEU H 1 50 LEU QD . . 4.110 3.701 3.480 3.739 . 0 0 "[ . 1 . 2]" 1
981 1 50 LEU H 1 51 ALA H . . 3.700 2.736 2.667 2.856 . 0 0 "[ . 1 . 2]" 1
982 1 50 LEU H 1 88 MET ME . . 4.030 3.056 2.717 3.234 . 0 0 "[ . 1 . 2]" 1
983 1 50 LEU HA 1 50 LEU QD . . 3.060 2.270 1.891 2.335 . 0 0 "[ . 1 . 2]" 1
984 1 50 LEU HA 1 50 LEU HG . . 3.900 2.622 2.565 3.050 . 0 0 "[ . 1 . 2]" 1
985 1 50 LEU HA 1 53 ALA MB . . 3.590 3.396 3.347 3.452 . 0 0 "[ . 1 . 2]" 1
986 1 50 LEU HA 1 54 ARG H . . 4.610 4.272 4.125 4.419 . 0 0 "[ . 1 . 2]" 1
987 1 50 LEU HA 1 85 ALA H . . 5.500 5.086 4.941 5.498 . 0 0 "[ . 1 . 2]" 1
988 1 50 LEU HA 1 88 MET ME . . 3.890 2.735 2.478 2.870 . 0 0 "[ . 1 . 2]" 1
989 1 50 LEU HA 1 93 TRP HD1 . . 5.500 5.478 5.283 5.550 0.050 1 0 "[ . 1 . 2]" 1
990 1 50 LEU HB2 1 51 ALA H . . 4.020 3.263 3.174 3.586 . 0 0 "[ . 1 . 2]" 1
991 1 50 LEU HB2 1 51 ALA HA . . 5.500 5.341 5.287 5.524 0.024 15 0 "[ . 1 . 2]" 1
992 1 50 LEU HB2 1 88 MET ME . . 4.800 2.551 1.907 2.772 . 0 0 "[ . 1 . 2]" 1
993 1 50 LEU HB2 1 93 TRP QB . . 5.340 3.875 3.718 4.206 . 0 0 "[ . 1 . 2]" 1
994 1 50 LEU HB2 1 93 TRP HD1 . . 5.410 4.692 4.459 5.005 . 0 0 "[ . 1 . 2]" 1
995 1 50 LEU HB2 1 93 TRP HE3 . . 5.500 5.544 5.515 5.627 0.127 1 0 "[ . 1 . 2]" 1
996 1 50 LEU HB3 1 51 ALA H . . 3.940 2.479 2.364 2.513 . 0 0 "[ . 1 . 2]" 1
997 1 50 LEU HB3 1 51 ALA HA . . 4.780 3.858 3.828 4.027 . 0 0 "[ . 1 . 2]" 1
998 1 50 LEU HB3 1 88 MET ME . . 4.800 3.792 3.344 3.942 . 0 0 "[ . 1 . 2]" 1
999 1 50 LEU HB3 1 93 TRP HD1 . . 5.160 3.103 2.915 3.250 . 0 0 "[ . 1 . 2]" 1
1000 1 50 LEU HB3 1 93 TRP HE1 . . 5.500 3.623 3.433 3.899 . 0 0 "[ . 1 . 2]" 1
1001 1 50 LEU HB3 1 93 TRP HE3 . . 5.500 4.693 4.573 4.894 . 0 0 "[ . 1 . 2]" 1
1002 1 50 LEU QD 1 51 ALA H . . 4.660 3.634 3.569 3.980 . 0 0 "[ . 1 . 2]" 1
1003 1 50 LEU QD 1 57 PHE QE . . 5.410 5.381 5.047 5.424 0.014 11 0 "[ . 1 . 2]" 1
1004 1 50 LEU QD 1 73 MET ME . . 5.440 4.692 4.140 5.260 . 0 0 "[ . 1 . 2]" 1
1005 1 50 LEU QD 1 81 VAL HA . . 4.080 3.457 3.141 3.862 . 0 0 "[ . 1 . 2]" 1
1006 1 50 LEU QD 1 81 VAL QG . . 2.890 1.966 1.796 2.227 . 0 0 "[ . 1 . 2]" 1
1007 1 50 LEU QD 1 81 VAL MG2 . . 4.600 2.636 1.827 3.834 . 0 0 "[ . 1 . 2]" 1
1008 1 50 LEU QD 1 82 HIS HA . . 5.440 3.938 3.700 4.252 . 0 0 "[ . 1 . 2]" 1
1009 1 50 LEU QD 1 84 ALA H . . 4.620 4.354 3.746 4.526 . 0 0 "[ . 1 . 2]" 1
1010 1 50 LEU QD 1 84 ALA HA . . 5.440 4.984 4.222 5.110 . 0 0 "[ . 1 . 2]" 1
1011 1 50 LEU QD 1 84 ALA MB . . 3.020 2.951 2.285 3.045 0.025 12 0 "[ . 1 . 2]" 1
1012 1 50 LEU QD 1 85 ALA H . . 3.690 2.853 2.189 3.031 . 0 0 "[ . 1 . 2]" 1
1013 1 50 LEU QD 1 85 ALA HA . . 3.110 2.107 1.873 2.249 . 0 0 "[ . 1 . 2]" 1
1014 1 50 LEU QD 1 85 ALA MB . . 3.150 1.667 1.654 1.682 . 0 0 "[ . 1 . 2]" 1
1015 1 50 LEU QD 1 88 MET QB . . 4.760 3.023 2.720 3.142 . 0 0 "[ . 1 . 2]" 1
1016 1 50 LEU QD 1 88 MET ME . . 2.730 2.440 1.682 2.756 0.026 19 0 "[ . 1 . 2]" 1
1017 1 50 LEU QD 1 88 MET HG3 . . 5.440 4.529 4.031 4.730 . 0 0 "[ . 1 . 2]" 1
1018 1 50 LEU QD 1 89 GLY H . . 5.440 4.850 4.665 4.942 . 0 0 "[ . 1 . 2]" 1
1019 1 50 LEU QD 1 90 ILE HA . . 5.210 4.474 4.339 4.846 . 0 0 "[ . 1 . 2]" 1
1020 1 50 LEU QD 1 90 ILE HB . . 3.240 2.049 1.899 2.514 . 0 0 "[ . 1 . 2]" 1
1021 1 50 LEU QD 1 90 ILE MD . . 3.300 2.175 1.843 2.832 . 0 0 "[ . 1 . 2]" 1
1022 1 50 LEU QD 1 90 ILE QG . . 4.480 3.250 3.051 3.726 . 0 0 "[ . 1 . 2]" 1
1023 1 50 LEU QD 1 90 ILE HG13 . . 4.590 3.424 3.196 3.913 . 0 0 "[ . 1 . 2]" 1
1024 1 50 LEU QD 1 90 ILE MG . . 3.110 2.579 2.390 2.943 . 0 0 "[ . 1 . 2]" 1
1025 1 50 LEU QD 1 92 THR H . . 5.440 5.295 4.130 5.459 0.019 15 0 "[ . 1 . 2]" 1
1026 1 50 LEU QD 1 93 TRP HB2 . . 4.360 3.239 2.976 3.562 . 0 0 "[ . 1 . 2]" 1
1027 1 50 LEU QD 1 93 TRP QB . . 3.790 2.405 2.190 2.653 . 0 0 "[ . 1 . 2]" 1
1028 1 50 LEU QD 1 93 TRP HB3 . . 4.150 2.480 2.254 2.737 . 0 0 "[ . 1 . 2]" 1
1029 1 50 LEU QD 1 93 TRP HD1 . . 5.440 3.645 3.528 4.043 . 0 0 "[ . 1 . 2]" 1
1030 1 50 LEU QD 1 93 TRP HE1 . . 5.320 2.939 2.728 3.866 . 0 0 "[ . 1 . 2]" 1
1031 1 50 LEU QD 1 93 TRP HE3 . . 5.440 2.530 2.379 2.652 . 0 0 "[ . 1 . 2]" 1
1032 1 50 LEU QD 1 93 TRP HH2 . . 5.440 2.990 2.862 3.412 . 0 0 "[ . 1 . 2]" 1
1033 1 50 LEU QD 1 93 TRP HZ2 . . 5.440 2.737 2.551 3.543 . 0 0 "[ . 1 . 2]" 1
1034 1 50 LEU MD1 1 85 ALA HA . . 3.620 2.180 2.011 2.454 . 0 0 "[ . 1 . 2]" 1
1035 1 50 LEU MD1 1 88 MET ME . . 3.600 2.575 1.853 3.025 . 0 0 "[ . 1 . 2]" 1
1036 1 50 LEU MD2 1 85 ALA HA . . 3.620 3.247 1.961 3.574 . 0 0 "[ . 1 . 2]" 1
1037 1 50 LEU MD2 1 88 MET ME . . 3.600 3.061 1.927 3.235 . 0 0 "[ . 1 . 2]" 1
1038 1 50 LEU HG 1 88 MET ME . . 3.500 2.052 1.869 3.594 0.094 1 0 "[ . 1 . 2]" 1
1039 1 50 LEU HG 1 90 ILE MG . . 5.500 5.049 4.835 5.309 . 0 0 "[ . 1 . 2]" 1
1040 1 51 ALA H 1 51 ALA MB . . 3.010 2.047 2.037 2.058 . 0 0 "[ . 1 . 2]" 1
1041 1 51 ALA H 1 52 ALA H . . 3.560 2.554 2.540 2.592 . 0 0 "[ . 1 . 2]" 1
1042 1 51 ALA HA 1 54 ARG HB2 . . 3.790 3.603 3.410 3.761 . 0 0 "[ . 1 . 2]" 1
1043 1 51 ALA HA 1 54 ARG QB . . 3.310 2.215 2.141 2.321 . 0 0 "[ . 1 . 2]" 1
1044 1 51 ALA HA 1 54 ARG HB3 . . 3.830 2.236 2.164 2.348 . 0 0 "[ . 1 . 2]" 1
1045 1 51 ALA HA 1 54 ARG HD2 . . 5.500 5.316 5.148 5.485 . 0 0 "[ . 1 . 2]" 1
1046 1 51 ALA HA 1 54 ARG QD . . 4.730 3.732 3.517 3.919 . 0 0 "[ . 1 . 2]" 1
1047 1 51 ALA HA 1 54 ARG HD3 . . 4.850 3.812 3.580 4.017 . 0 0 "[ . 1 . 2]" 1
1048 1 51 ALA HA 1 54 ARG HE . . 4.930 4.411 4.276 4.564 . 0 0 "[ . 1 . 2]" 1
1049 1 51 ALA HA 1 54 ARG HG2 . . 5.500 3.742 3.611 3.940 . 0 0 "[ . 1 . 2]" 1
1050 1 51 ALA HA 1 93 TRP QB . . 5.180 4.916 4.769 4.985 . 0 0 "[ . 1 . 2]" 1
1051 1 51 ALA HA 1 93 TRP HD1 . . 3.810 2.664 2.547 2.733 . 0 0 "[ . 1 . 2]" 1
1052 1 51 ALA HA 1 93 TRP HE1 . . 4.950 2.090 1.970 2.260 . 0 0 "[ . 1 . 2]" 1
1053 1 51 ALA HA 1 93 TRP HZ2 . . 5.500 4.721 4.584 4.888 . 0 0 "[ . 1 . 2]" 1
1054 1 51 ALA MB 1 54 ARG QD . . 4.770 4.604 4.373 4.775 0.005 16 0 "[ . 1 . 2]" 1
1055 1 51 ALA MB 1 93 TRP HB2 . . 4.770 3.693 3.578 3.746 . 0 0 "[ . 1 . 2]" 1
1056 1 51 ALA MB 1 93 TRP QB . . 4.940 3.600 3.494 3.649 . 0 0 "[ . 1 . 2]" 1
1057 1 51 ALA MB 1 93 TRP HD1 . . 5.500 1.931 1.917 1.939 . 0 0 "[ . 1 . 2]" 1
1058 1 51 ALA MB 1 93 TRP HZ2 . . 5.500 5.597 5.571 5.672 0.172 1 0 "[ . 1 . 2]" 1
1059 1 52 ALA H 1 52 ALA MB . . 2.990 2.097 2.074 2.113 . 0 0 "[ . 1 . 2]" 1
1060 1 52 ALA H 1 53 ALA H . . 3.440 2.793 2.786 2.800 . 0 0 "[ . 1 . 2]" 1
1061 1 52 ALA H 1 53 ALA MB . . 4.510 4.392 4.380 4.398 . 0 0 "[ . 1 . 2]" 1
1062 1 52 ALA HA 1 55 ASP H . . 4.030 4.033 3.985 4.050 0.020 6 0 "[ . 1 . 2]" 1
1063 1 52 ALA HA 1 55 ASP QB . . 3.640 3.423 3.144 3.640 0.000 1 0 "[ . 1 . 2]" 1
1064 1 52 ALA MB 1 53 ALA H . . 3.410 2.560 2.548 2.572 . 0 0 "[ . 1 . 2]" 1
1065 1 52 ALA MB 1 53 ALA HA . . 4.390 3.757 3.742 3.769 . 0 0 "[ . 1 . 2]" 1
1066 1 52 ALA MB 1 54 ARG H . . 4.970 4.500 4.430 4.557 . 0 0 "[ . 1 . 2]" 1
1067 1 52 ALA MB 1 55 ASP QB . . 5.350 4.650 4.479 4.795 . 0 0 "[ . 1 . 2]" 1
1068 1 52 ALA MB 1 56 GLU H . . 5.260 4.767 4.683 4.852 . 0 0 "[ . 1 . 2]" 1
1069 1 53 ALA H 1 53 ALA MB . . 3.100 2.058 2.046 2.068 . 0 0 "[ . 1 . 2]" 1
1070 1 53 ALA H 1 54 ARG H . . 3.510 2.575 2.531 2.646 . 0 0 "[ . 1 . 2]" 1
1071 1 53 ALA H 1 54 ARG HB2 . . 5.500 5.283 5.216 5.344 . 0 0 "[ . 1 . 2]" 1
1072 1 53 ALA H 1 54 ARG QB . . 4.990 4.245 4.217 4.306 . 0 0 "[ . 1 . 2]" 1
1073 1 53 ALA H 1 54 ARG HB3 . . 5.500 4.473 4.440 4.547 . 0 0 "[ . 1 . 2]" 1
1074 1 53 ALA H 1 56 GLU HB3 . . 5.500 4.886 4.716 5.138 . 0 0 "[ . 1 . 2]" 1
1075 1 53 ALA HA 1 56 GLU H . . 4.190 3.484 3.374 3.597 . 0 0 "[ . 1 . 2]" 1
1076 1 53 ALA HA 1 56 GLU QB . . 3.970 2.348 2.181 2.577 . 0 0 "[ . 1 . 2]" 1
1077 1 53 ALA HA 1 56 GLU HB3 . . 3.380 2.390 2.210 2.627 . 0 0 "[ . 1 . 2]" 1
1078 1 53 ALA HA 1 56 GLU HG2 . . 5.500 4.760 3.880 5.251 . 0 0 "[ . 1 . 2]" 1
1079 1 53 ALA HA 1 56 GLU QG . . 4.830 4.115 3.583 4.590 . 0 0 "[ . 1 . 2]" 1
1080 1 53 ALA HA 1 56 GLU HG3 . . 5.500 4.589 4.063 5.238 . 0 0 "[ . 1 . 2]" 1
1081 1 53 ALA HA 1 57 PHE H . . 4.560 3.751 3.588 3.926 . 0 0 "[ . 1 . 2]" 1
1082 1 53 ALA HA 1 57 PHE QD . . 5.200 4.443 4.357 4.553 . 0 0 "[ . 1 . 2]" 1
1083 1 53 ALA MB 1 54 ARG H . . 3.550 2.673 2.608 2.751 . 0 0 "[ . 1 . 2]" 1
1084 1 53 ALA MB 1 54 ARG HA . . 4.490 3.714 3.679 3.749 . 0 0 "[ . 1 . 2]" 1
1085 1 53 ALA MB 1 56 GLU H . . 5.500 4.618 4.535 4.703 . 0 0 "[ . 1 . 2]" 1
1086 1 53 ALA MB 1 57 PHE H . . 4.840 4.306 4.228 4.392 . 0 0 "[ . 1 . 2]" 1
1087 1 53 ALA MB 1 57 PHE HB2 . . 5.500 4.725 4.609 4.825 . 0 0 "[ . 1 . 2]" 1
1088 1 53 ALA MB 1 57 PHE QD . . 3.890 3.142 3.001 3.250 . 0 0 "[ . 1 . 2]" 1
1089 1 54 ARG H 1 54 ARG HB2 . . 3.930 2.817 2.782 2.852 . 0 0 "[ . 1 . 2]" 1
1090 1 54 ARG H 1 54 ARG QB . . 3.350 2.174 2.160 2.189 . 0 0 "[ . 1 . 2]" 1
1091 1 54 ARG H 1 54 ARG HB3 . . 3.940 2.262 2.237 2.290 . 0 0 "[ . 1 . 2]" 1
1092 1 54 ARG H 1 54 ARG QD . . 4.940 4.452 4.442 4.466 . 0 0 "[ . 1 . 2]" 1
1093 1 54 ARG H 1 54 ARG HD3 . . 5.500 4.665 4.652 4.690 . 0 0 "[ . 1 . 2]" 1
1094 1 54 ARG H 1 54 ARG HG2 . . 5.250 4.255 4.219 4.294 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ARG H 1 54 ARG HG3 . . 5.250 4.441 4.425 4.449 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ARG H 1 57 PHE HB2 . . 5.500 5.278 5.130 5.396 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ARG H 1 81 VAL QG . . 5.440 2.866 2.437 3.369 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ARG HA 1 54 ARG HD2 . . 5.500 4.229 4.172 4.260 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ARG HA 1 54 ARG HD3 . . 5.500 4.168 4.125 4.219 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ARG HA 1 54 ARG HG3 . . 4.200 2.736 2.702 2.773 . 0 0 "[ . 1 . 2]" 1
1101 1 54 ARG HA 1 57 PHE H . . 4.470 3.806 3.650 3.945 . 0 0 "[ . 1 . 2]" 1
1102 1 54 ARG HA 1 57 PHE HB2 . . 3.790 3.104 2.839 3.316 . 0 0 "[ . 1 . 2]" 1
1103 1 54 ARG HA 1 57 PHE QD . . 4.100 2.678 2.328 2.980 . 0 0 "[ . 1 . 2]" 1
1104 1 54 ARG HA 1 57 PHE QE . . 5.500 4.448 4.190 4.653 . 0 0 "[ . 1 . 2]" 1
1105 1 54 ARG HA 1 73 MET ME . . 3.200 2.065 1.896 2.506 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ARG HA 1 81 VAL QG . . 4.510 2.337 2.063 2.759 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ARG QB 1 54 ARG QD . . 3.330 2.019 2.003 2.038 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ARG QB 1 54 ARG HD3 . . 3.550 2.062 2.041 2.087 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ARG QB 1 54 ARG HE . . 3.930 3.515 3.470 3.569 . 0 0 "[ . 1 . 2]" 1
1110 1 54 ARG QB 1 55 ASP H . . 3.480 2.513 2.462 2.578 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ARG QB 1 56 GLU H . . 5.230 4.700 4.576 4.813 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ARG QB 1 81 VAL QG . . 5.060 2.025 1.872 2.344 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ARG QB 1 93 TRP HD1 . . 4.670 4.304 4.204 4.425 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ARG QB 1 93 TRP HE1 . . 4.450 2.376 2.250 2.550 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ARG QB 1 93 TRP HZ2 . . 4.670 2.740 2.431 3.111 . 0 0 "[ . 1 . 2]" 1
1116 1 54 ARG HB2 1 54 ARG HD3 . . 4.160 2.129 2.099 2.169 . 0 0 "[ . 1 . 2]" 1
1117 1 54 ARG HB2 1 54 ARG HE . . 4.440 4.210 4.166 4.243 . 0 0 "[ . 1 . 2]" 1
1118 1 54 ARG HB2 1 93 TRP HE1 . . 5.070 2.875 2.631 3.127 . 0 0 "[ . 1 . 2]" 1
1119 1 54 ARG HB3 1 54 ARG HD3 . . 4.110 2.754 2.718 2.784 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ARG HB3 1 54 ARG HE . . 4.460 3.766 3.713 3.845 . 0 0 "[ . 1 . 2]" 1
1121 1 54 ARG HB3 1 93 TRP HE1 . . 5.120 2.538 2.393 2.728 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ARG QD 1 55 ASP H . . 5.340 4.633 4.596 4.655 . 0 0 "[ . 1 . 2]" 1
1123 1 54 ARG QD 1 81 VAL QG . . 5.280 3.017 2.809 3.200 . 0 0 "[ . 1 . 2]" 1
1124 1 54 ARG QD 1 93 TRP HD1 . . 5.340 4.541 4.259 4.813 . 0 0 "[ . 1 . 2]" 1
1125 1 54 ARG QD 1 93 TRP HE1 . . 3.980 2.242 2.005 2.470 . 0 0 "[ . 1 . 2]" 1
1126 1 54 ARG HD2 1 55 ASP H . . 5.500 5.502 5.435 5.513 0.013 17 0 "[ . 1 . 2]" 1
1127 1 54 ARG HD2 1 81 VAL QG . . 5.440 3.627 3.479 3.783 . 0 0 "[ . 1 . 2]" 1
1128 1 54 ARG HD2 1 93 TRP HE1 . . 5.050 3.987 3.776 4.185 . 0 0 "[ . 1 . 2]" 1
1129 1 54 ARG HD3 1 93 TRP HE1 . . 4.160 2.254 2.012 2.488 . 0 0 "[ . 1 . 2]" 1
1130 1 54 ARG HE 1 54 ARG HG2 . . 3.860 2.097 2.090 2.110 . 0 0 "[ . 1 . 2]" 1
1131 1 54 ARG HE 1 54 ARG QG . . 3.570 2.070 2.065 2.079 . 0 0 "[ . 1 . 2]" 1
1132 1 54 ARG HE 1 55 ASP H . . 4.820 4.834 4.830 4.837 0.017 13 0 "[ . 1 . 2]" 1
1133 1 54 ARG HE 1 55 ASP HA . . 4.910 4.930 4.921 4.936 0.026 10 0 "[ . 1 . 2]" 1
1134 1 54 ARG HE 1 55 ASP QB . . 5.190 4.849 4.601 5.082 . 0 0 "[ . 1 . 2]" 1
1135 1 54 ARG QG 1 55 ASP QB . . 5.340 3.547 3.400 3.673 . 0 0 "[ . 1 . 2]" 1
1136 1 54 ARG HG2 1 55 ASP HA . . 4.480 3.382 3.357 3.404 . 0 0 "[ . 1 . 2]" 1
1137 1 54 ARG HG2 1 55 ASP QB . . 5.500 3.657 3.490 3.801 . 0 0 "[ . 1 . 2]" 1
1138 1 54 ARG HG2 1 56 GLU H . . 5.500 5.331 5.216 5.429 . 0 0 "[ . 1 . 2]" 1
1139 1 54 ARG HG2 1 93 TRP HD1 . . 5.500 5.548 5.539 5.560 0.060 12 0 "[ . 1 . 2]" 1
1140 1 54 ARG HG3 1 57 PHE HB2 . . 5.500 4.720 4.342 5.015 . 0 0 "[ . 1 . 2]" 1
1141 1 54 ARG HG3 1 73 MET ME . . 3.610 2.498 2.260 3.206 . 0 0 "[ . 1 . 2]" 1
1142 1 54 ARG HG3 1 93 TRP HE1 . . 5.380 4.504 4.408 4.615 . 0 0 "[ . 1 . 2]" 1
1143 1 55 ASP H 1 55 ASP QB . . 3.240 2.186 2.078 2.261 . 0 0 "[ . 1 . 2]" 1
1144 1 55 ASP H 1 57 PHE H . . 4.660 4.330 4.262 4.368 . 0 0 "[ . 1 . 2]" 1
1145 1 55 ASP HA 1 58 ARG H . . 4.270 3.457 3.421 3.503 . 0 0 "[ . 1 . 2]" 1
1146 1 55 ASP HA 1 58 ARG HB2 . . 4.580 2.716 2.365 3.072 . 0 0 "[ . 1 . 2]" 1
1147 1 55 ASP HA 1 58 ARG QB . . 4.210 2.569 2.338 2.758 . 0 0 "[ . 1 . 2]" 1
1148 1 55 ASP HA 1 58 ARG HB3 . . 4.580 3.308 3.065 3.871 . 0 0 "[ . 1 . 2]" 1
1149 1 55 ASP HA 1 58 ARG HD2 . . 5.500 4.597 3.674 5.462 . 0 0 "[ . 1 . 2]" 1
1150 1 55 ASP HA 1 58 ARG QD . . 4.650 4.046 2.248 4.571 . 0 0 "[ . 1 . 2]" 1
1151 1 55 ASP HA 1 58 ARG HD3 . . 5.500 4.927 2.261 5.513 0.013 10 0 "[ . 1 . 2]" 1
1152 1 55 ASP HA 1 58 ARG HE . . 5.500 3.282 2.644 4.370 . 0 0 "[ . 1 . 2]" 1
1153 1 55 ASP QB 1 56 GLU H . . 3.630 2.588 2.447 2.740 . 0 0 "[ . 1 . 2]" 1
1154 1 55 ASP QB 1 56 GLU HB2 . . 5.500 4.255 4.066 4.487 . 0 0 "[ . 1 . 2]" 1
1155 1 55 ASP QB 1 56 GLU QB . . 5.340 3.965 3.841 4.138 . 0 0 "[ . 1 . 2]" 1
1156 1 55 ASP QB 1 58 ARG QB . . 5.340 4.274 4.150 4.428 . 0 0 "[ . 1 . 2]" 1
1157 1 55 ASP QB 1 58 ARG HE . . 5.500 4.802 4.389 5.503 0.003 2 0 "[ . 1 . 2]" 1
1158 1 56 GLU H 1 56 GLU HB2 . . 3.660 2.603 2.508 2.716 . 0 0 "[ . 1 . 2]" 1
1159 1 56 GLU H 1 56 GLU QB . . 3.210 2.236 2.220 2.248 . 0 0 "[ . 1 . 2]" 1
1160 1 56 GLU H 1 56 GLU HB3 . . 3.660 2.448 2.355 2.538 . 0 0 "[ . 1 . 2]" 1
1161 1 56 GLU H 1 56 GLU HG2 . . 4.830 4.476 4.417 4.614 . 0 0 "[ . 1 . 2]" 1
1162 1 56 GLU H 1 56 GLU QG . . 4.150 3.995 3.970 4.045 . 0 0 "[ . 1 . 2]" 1
1163 1 56 GLU H 1 56 GLU HG3 . . 4.820 4.502 4.353 4.630 . 0 0 "[ . 1 . 2]" 1
1164 1 56 GLU H 1 57 PHE H . . 3.690 2.779 2.681 2.807 . 0 0 "[ . 1 . 2]" 1
1165 1 56 GLU H 1 57 PHE HB2 . . 5.070 4.854 4.703 4.943 . 0 0 "[ . 1 . 2]" 1
1166 1 56 GLU HA 1 56 GLU HG2 . . 3.980 2.987 2.560 3.826 . 0 0 "[ . 1 . 2]" 1
1167 1 56 GLU HA 1 56 GLU QG . . 3.390 2.676 2.511 3.197 . 0 0 "[ . 1 . 2]" 1
1168 1 56 GLU HA 1 56 GLU HG3 . . 3.980 3.218 2.761 3.658 . 0 0 "[ . 1 . 2]" 1
1169 1 56 GLU QB 1 57 PHE H . . 4.120 2.444 2.363 2.539 . 0 0 "[ . 1 . 2]" 1
1170 1 56 GLU HB3 1 57 PHE H . . 3.310 2.471 2.388 2.572 . 0 0 "[ . 1 . 2]" 1
1171 1 56 GLU HB3 1 57 PHE HB2 . . 5.500 4.774 4.676 4.886 . 0 0 "[ . 1 . 2]" 1
1172 1 56 GLU QG 1 57 PHE H . . 5.340 3.561 3.146 3.911 . 0 0 "[ . 1 . 2]" 1
1173 1 56 GLU QG 1 57 PHE QD . . 5.160 3.973 3.015 4.631 . 0 0 "[ . 1 . 2]" 1
1174 1 56 GLU QG 1 58 ARG H . . 5.340 5.032 4.820 5.310 . 0 0 "[ . 1 . 2]" 1
1175 1 57 PHE H 1 57 PHE HB2 . . 3.720 2.436 2.358 2.512 . 0 0 "[ . 1 . 2]" 1
1176 1 57 PHE H 1 57 PHE HB3 . . 4.100 3.583 3.569 3.591 . 0 0 "[ . 1 . 2]" 1
1177 1 57 PHE H 1 57 PHE QD . . 4.160 3.228 3.136 3.286 . 0 0 "[ . 1 . 2]" 1
1178 1 57 PHE H 1 73 MET ME . . 5.500 4.237 3.831 4.887 . 0 0 "[ . 1 . 2]" 1
1179 1 57 PHE H 1 81 VAL QG . . 5.440 4.874 4.538 5.304 . 0 0 "[ . 1 . 2]" 1
1180 1 57 PHE HA 1 57 PHE QD . . 3.140 1.958 1.934 1.972 . 0 0 "[ . 1 . 2]" 1
1181 1 57 PHE HA 1 60 ALA H . . 4.390 3.123 3.064 3.215 . 0 0 "[ . 1 . 2]" 1
1182 1 57 PHE HA 1 60 ALA MB . . 3.360 2.551 2.339 2.897 . 0 0 "[ . 1 . 2]" 1
1183 1 57 PHE HA 1 77 HIS HB2 . . 5.500 4.896 4.728 5.115 . 0 0 "[ . 1 . 2]" 1
1184 1 57 PHE HB2 1 58 ARG H . . 3.990 2.927 2.827 3.015 . 0 0 "[ . 1 . 2]" 1
1185 1 57 PHE HB2 1 58 ARG QB . . 5.340 4.409 4.319 4.518 . 0 0 "[ . 1 . 2]" 1
1186 1 57 PHE HB2 1 59 GLN H . . 5.500 5.197 5.119 5.307 . 0 0 "[ . 1 . 2]" 1
1187 1 57 PHE HB2 1 73 MET ME . . 3.320 2.562 2.002 3.279 . 0 0 "[ . 1 . 2]" 1
1188 1 57 PHE HB2 1 81 VAL QG . . 5.440 3.863 3.445 4.394 . 0 0 "[ . 1 . 2]" 1
1189 1 57 PHE HB3 1 58 ARG H . . 3.990 3.822 3.668 3.922 . 0 0 "[ . 1 . 2]" 1
1190 1 57 PHE HB3 1 58 ARG HA . . 5.410 4.462 4.323 4.557 . 0 0 "[ . 1 . 2]" 1
1191 1 57 PHE HB3 1 60 ALA H . . 5.450 4.859 4.666 5.004 . 0 0 "[ . 1 . 2]" 1
1192 1 57 PHE HB3 1 60 ALA MB . . 4.560 3.646 3.473 3.850 . 0 0 "[ . 1 . 2]" 1
1193 1 57 PHE HB3 1 73 MET HA . . 4.650 4.566 4.316 4.672 0.022 6 0 "[ . 1 . 2]" 1
1194 1 57 PHE QD 1 58 ARG H . . 5.110 4.558 4.516 4.605 . 0 0 "[ . 1 . 2]" 1
1195 1 57 PHE QD 1 60 ALA MB . . 4.170 3.190 2.925 3.421 . 0 0 "[ . 1 . 2]" 1
1196 1 57 PHE QD 1 73 MET HB2 . . 5.500 4.553 4.222 4.730 . 0 0 "[ . 1 . 2]" 1
1197 1 57 PHE QD 1 73 MET QB . . 4.780 4.225 3.952 4.377 . 0 0 "[ . 1 . 2]" 1
1198 1 57 PHE QD 1 73 MET HB3 . . 5.500 5.014 4.529 5.181 . 0 0 "[ . 1 . 2]" 1
1199 1 57 PHE QD 1 73 MET ME . . 3.410 2.699 2.068 3.084 . 0 0 "[ . 1 . 2]" 1
1200 1 57 PHE QD 1 73 MET HG3 . . 5.500 5.403 4.963 5.519 0.019 10 0 "[ . 1 . 2]" 1
1201 1 57 PHE QD 1 77 HIS HA . . 4.420 4.305 4.074 4.426 0.006 8 0 "[ . 1 . 2]" 1
1202 1 57 PHE QD 1 77 HIS HB2 . . 4.390 4.117 4.007 4.207 . 0 0 "[ . 1 . 2]" 1
1203 1 57 PHE QD 1 77 HIS HD2 . . 5.170 3.762 2.737 4.712 . 0 0 "[ . 1 . 2]" 1
1204 1 57 PHE QD 1 78 TYR H . . 5.500 5.544 5.516 5.569 0.069 7 0 "[ . 1 . 2]" 1
1205 1 57 PHE QD 1 80 ALA MB . . 4.530 3.959 3.667 4.238 . 0 0 "[ . 1 . 2]" 1
1206 1 57 PHE QD 1 81 VAL H . . 4.750 3.839 3.507 4.203 . 0 0 "[ . 1 . 2]" 1
1207 1 57 PHE QD 1 81 VAL HA . . 5.240 4.357 4.076 4.665 . 0 0 "[ . 1 . 2]" 1
1208 1 57 PHE QD 1 81 VAL QG . . 4.010 2.586 1.968 3.179 . 0 0 "[ . 1 . 2]" 1
1209 1 57 PHE QE 1 73 MET ME . . 4.780 4.373 3.698 4.622 . 0 0 "[ . 1 . 2]" 1
1210 1 57 PHE QE 1 77 HIS HB2 . . 5.460 5.457 5.389 5.492 0.032 12 0 "[ . 1 . 2]" 1
1211 1 57 PHE QE 1 77 HIS HB3 . . 5.250 4.029 3.951 4.080 . 0 0 "[ . 1 . 2]" 1
1212 1 57 PHE QE 1 81 VAL H . . 4.800 3.204 2.773 3.788 . 0 0 "[ . 1 . 2]" 1
1213 1 57 PHE QE 1 81 VAL QG . . 5.220 2.866 2.121 3.527 . 0 0 "[ . 1 . 2]" 1
1214 1 58 ARG H 1 58 ARG HB2 . . 4.160 2.318 2.064 2.515 . 0 0 "[ . 1 . 2]" 1
1215 1 58 ARG H 1 58 ARG QB . . 3.480 2.188 2.045 2.247 . 0 0 "[ . 1 . 2]" 1
1216 1 58 ARG H 1 58 ARG HB3 . . 4.160 2.774 2.530 3.314 . 0 0 "[ . 1 . 2]" 1
1217 1 58 ARG H 1 58 ARG QD . . 4.850 4.460 3.284 4.779 . 0 0 "[ . 1 . 2]" 1
1218 1 58 ARG H 1 59 GLN H . . 4.000 2.722 2.703 2.745 . 0 0 "[ . 1 . 2]" 1
1219 1 58 ARG H 1 73 MET ME . . 4.710 3.929 3.420 4.715 0.005 18 0 "[ . 1 . 2]" 1
1220 1 58 ARG HA 1 58 ARG HD2 . . 5.500 4.312 3.449 4.730 . 0 0 "[ . 1 . 2]" 1
1221 1 58 ARG HA 1 58 ARG HD3 . . 5.500 4.379 3.193 4.894 . 0 0 "[ . 1 . 2]" 1
1222 1 58 ARG HA 1 58 ARG HE . . 5.200 4.777 4.358 5.230 0.030 13 0 "[ . 1 . 2]" 1
1223 1 58 ARG HA 1 60 ALA H . . 4.940 4.358 4.137 4.453 . 0 0 "[ . 1 . 2]" 1
1224 1 58 ARG HA 1 61 ASP H . . 4.860 3.811 3.599 3.905 . 0 0 "[ . 1 . 2]" 1
1225 1 58 ARG HA 1 61 ASP QB . . 5.340 4.691 3.920 4.848 . 0 0 "[ . 1 . 2]" 1
1226 1 58 ARG HA 1 73 MET HA . . 4.290 2.982 2.694 3.464 . 0 0 "[ . 1 . 2]" 1
1227 1 58 ARG HA 1 73 MET HB2 . . 5.270 4.177 3.843 4.598 . 0 0 "[ . 1 . 2]" 1
1228 1 58 ARG HA 1 73 MET QB . . 4.460 3.234 2.890 3.866 . 0 0 "[ . 1 . 2]" 1
1229 1 58 ARG HA 1 73 MET HB3 . . 5.500 3.382 2.988 4.157 . 0 0 "[ . 1 . 2]" 1
1230 1 58 ARG QB 1 58 ARG QD . . 3.180 2.165 1.964 2.399 . 0 0 "[ . 1 . 2]" 1
1231 1 58 ARG QB 1 58 ARG HE . . 4.050 2.569 1.989 3.135 . 0 0 "[ . 1 . 2]" 1
1232 1 58 ARG HB2 1 58 ARG HE . . 4.530 2.772 2.047 3.414 . 0 0 "[ . 1 . 2]" 1
1233 1 58 ARG HB3 1 58 ARG HE . . 4.530 3.113 2.641 3.897 . 0 0 "[ . 1 . 2]" 1
1234 1 58 ARG QD 1 59 GLN H . . 5.340 4.539 4.046 5.369 0.029 9 0 "[ . 1 . 2]" 1
1235 1 58 ARG QD 1 72 ASP QB . . 4.040 2.994 1.749 3.745 . 0 0 "[ . 1 . 2]" 1
1236 1 58 ARG HE 1 72 ASP HB2 . . 4.850 4.188 3.232 4.851 0.001 1 0 "[ . 1 . 2]" 1
1237 1 58 ARG HE 1 72 ASP QB . . 3.940 3.422 2.740 3.963 0.023 14 0 "[ . 1 . 2]" 1
1238 1 58 ARG HE 1 72 ASP HB3 . . 4.850 3.864 2.787 4.851 0.001 5 0 "[ . 1 . 2]" 1
1239 1 58 ARG QG 1 72 ASP QB . . 4.960 2.221 1.913 3.092 . 0 0 "[ . 1 . 2]" 1
1240 1 59 GLN H 1 59 GLN QB . . 3.180 2.252 2.214 2.326 . 0 0 "[ . 1 . 2]" 1
1241 1 59 GLN H 1 59 GLN QG . . 4.060 3.860 2.495 4.056 . 0 0 "[ . 1 . 2]" 1
1242 1 59 GLN H 1 60 ALA H . . 3.530 2.484 2.461 2.540 . 0 0 "[ . 1 . 2]" 1
1243 1 59 GLN H 1 60 ALA MB . . 4.370 4.158 4.130 4.225 . 0 0 "[ . 1 . 2]" 1
1244 1 59 GLN HA 1 59 GLN HE21 . . 5.500 4.059 2.835 4.956 . 0 0 "[ . 1 . 2]" 1
1245 1 59 GLN HA 1 59 GLN HE22 . . 5.500 5.121 3.382 5.683 0.183 20 0 "[ . 1 . 2]" 1
1246 1 59 GLN HA 1 59 GLN QG . . 3.560 2.689 2.271 3.444 . 0 0 "[ . 1 . 2]" 1
1247 1 59 GLN QB 1 60 ALA H . . 3.480 2.809 2.583 3.505 0.025 10 0 "[ . 1 . 2]" 1
1248 1 59 GLN QE 1 60 ALA HA . . 5.340 3.075 2.138 5.396 0.056 20 0 "[ . 1 . 2]" 1
1249 1 59 GLN QE 1 60 ALA MB . . 5.340 3.839 2.179 5.328 . 0 0 "[ . 1 . 2]" 1
1250 1 59 GLN QG 1 60 ALA H . . 4.370 3.715 2.050 4.052 . 0 0 "[ . 1 . 2]" 1
1251 1 59 GLN QG 1 61 ASP H . . 5.500 5.373 4.630 5.567 0.067 6 0 "[ . 1 . 2]" 1
1252 1 60 ALA H 1 60 ALA MB . . 2.940 2.221 2.178 2.234 . 0 0 "[ . 1 . 2]" 1
1253 1 60 ALA H 1 61 ASP QB . . 5.340 5.060 4.956 5.275 . 0 0 "[ . 1 . 2]" 1
1254 1 60 ALA H 1 62 LYS H . . 4.820 4.230 4.098 4.306 . 0 0 "[ . 1 . 2]" 1
1255 1 60 ALA HA 1 62 LYS H . . 4.160 3.788 3.753 3.905 . 0 0 "[ . 1 . 2]" 1
1256 1 60 ALA MB 1 61 ASP H . . 3.440 2.429 2.394 2.480 . 0 0 "[ . 1 . 2]" 1
1257 1 60 ALA MB 1 61 ASP HA . . 4.770 3.923 3.897 3.959 . 0 0 "[ . 1 . 2]" 1
1258 1 60 ALA MB 1 61 ASP QB . . 5.060 3.558 3.421 4.115 . 0 0 "[ . 1 . 2]" 1
1259 1 60 ALA MB 1 74 SER H . . 5.500 4.780 4.564 5.121 . 0 0 "[ . 1 . 2]" 1
1260 1 60 ALA MB 1 74 SER QB . . 5.490 4.330 3.867 5.114 . 0 0 "[ . 1 . 2]" 1
1261 1 60 ALA MB 1 77 HIS HB2 . . 5.500 4.665 4.476 5.016 . 0 0 "[ . 1 . 2]" 1
1262 1 61 ASP H 1 61 ASP HB2 . . 3.950 3.628 2.761 3.705 . 0 0 "[ . 1 . 2]" 1
1263 1 61 ASP H 1 61 ASP QB . . 3.470 2.610 2.558 2.809 . 0 0 "[ . 1 . 2]" 1
1264 1 61 ASP H 1 61 ASP HB3 . . 3.950 2.717 2.611 3.672 . 0 0 "[ . 1 . 2]" 1
1265 1 61 ASP H 1 62 LYS H . . 3.300 2.930 2.848 2.960 . 0 0 "[ . 1 . 2]" 1
1266 1 61 ASP H 1 64 LEU QD . . 4.900 4.533 4.003 4.827 . 0 0 "[ . 1 . 2]" 1
1267 1 61 ASP H 1 73 MET HA . . 4.810 4.465 4.244 4.814 0.004 18 0 "[ . 1 . 2]" 1
1268 1 61 ASP H 1 74 SER H . . 5.500 4.187 3.997 4.473 . 0 0 "[ . 1 . 2]" 1
1269 1 61 ASP H 1 77 HIS HB2 . . 5.500 5.571 5.526 5.671 0.171 7 0 "[ . 1 . 2]" 1
1270 1 61 ASP HA 1 64 LEU H . . 4.690 3.357 3.112 3.504 . 0 0 "[ . 1 . 2]" 1
1271 1 61 ASP HA 1 64 LEU QD . . 3.820 2.499 1.872 2.872 . 0 0 "[ . 1 . 2]" 1
1272 1 61 ASP HA 1 64 LEU HG . . 4.260 2.597 2.375 4.335 0.075 20 0 "[ . 1 . 2]" 1
1273 1 61 ASP HA 1 69 LYS QE . . 5.340 4.844 4.485 5.351 0.011 17 0 "[ . 1 . 2]" 1
1274 1 61 ASP HA 1 74 SER QB . . 4.460 3.744 3.571 4.207 . 0 0 "[ . 1 . 2]" 1
1275 1 61 ASP QB 1 62 LYS H . . 4.220 4.038 3.845 4.052 . 0 0 "[ . 1 . 2]" 1
1276 1 61 ASP QB 1 64 LEU H . . 4.940 3.989 3.907 4.051 . 0 0 "[ . 1 . 2]" 1
1277 1 61 ASP QB 1 64 LEU HB2 . . 4.480 3.007 2.374 3.283 . 0 0 "[ . 1 . 2]" 1
1278 1 61 ASP QB 1 64 LEU QB . . 4.700 2.952 2.329 3.213 . 0 0 "[ . 1 . 2]" 1
1279 1 61 ASP QB 1 64 LEU HB3 . . 5.180 4.302 3.367 4.575 . 0 0 "[ . 1 . 2]" 1
1280 1 61 ASP QB 1 64 LEU QD . . 3.650 1.960 1.890 2.142 . 0 0 "[ . 1 . 2]" 1
1281 1 61 ASP QB 1 69 LYS HB2 . . 5.000 3.971 3.706 4.180 . 0 0 "[ . 1 . 2]" 1
1282 1 61 ASP QB 1 69 LYS HB3 . . 5.340 3.426 3.196 3.793 . 0 0 "[ . 1 . 2]" 1
1283 1 61 ASP QB 1 69 LYS HD3 . . 5.340 4.181 3.236 4.742 . 0 0 "[ . 1 . 2]" 1
1284 1 61 ASP QB 1 73 MET HA . . 3.770 3.570 2.891 3.719 . 0 0 "[ . 1 . 2]" 1
1285 1 61 ASP QB 1 74 SER H . . 3.970 2.382 2.229 2.645 . 0 0 "[ . 1 . 2]" 1
1286 1 61 ASP HB2 1 62 LYS H . . 4.800 4.506 4.142 4.544 . 0 0 "[ . 1 . 2]" 1
1287 1 61 ASP HB2 1 73 MET HA . . 4.330 4.210 2.936 4.344 0.014 1 0 "[ . 1 . 2]" 1
1288 1 61 ASP HB2 1 74 SER H . . 4.830 3.190 2.780 3.378 . 0 0 "[ . 1 . 2]" 1
1289 1 61 ASP HB3 1 62 LYS H . . 4.800 4.563 4.537 4.626 . 0 0 "[ . 1 . 2]" 1
1290 1 61 ASP HB3 1 73 MET HA . . 4.330 3.912 3.765 4.337 0.007 11 0 "[ . 1 . 2]" 1
1291 1 61 ASP HB3 1 74 SER H . . 4.830 2.485 2.279 3.316 . 0 0 "[ . 1 . 2]" 1
1292 1 62 LYS H 1 62 LYS HB2 . . 3.580 2.683 2.402 3.610 0.030 18 0 "[ . 1 . 2]" 1
1293 1 62 LYS H 1 62 LYS QB . . 3.090 2.286 2.237 2.442 . 0 0 "[ . 1 . 2]" 1
1294 1 62 LYS H 1 62 LYS HB3 . . 3.580 2.527 2.365 2.724 . 0 0 "[ . 1 . 2]" 1
1295 1 62 LYS H 1 62 LYS QD . . 5.500 4.306 3.678 4.590 . 0 0 "[ . 1 . 2]" 1
1296 1 62 LYS H 1 62 LYS HG2 . . 4.650 4.328 2.314 4.627 . 0 0 "[ . 1 . 2]" 1
1297 1 62 LYS H 1 62 LYS HG3 . . 4.650 4.339 2.372 4.649 . 0 0 "[ . 1 . 2]" 1
1298 1 62 LYS H 1 63 LYS H . . 3.910 2.431 2.409 2.592 . 0 0 "[ . 1 . 2]" 1
1299 1 62 LYS H 1 64 LEU MD1 . . 5.500 4.871 3.598 5.241 . 0 0 "[ . 1 . 2]" 1
1300 1 62 LYS H 1 64 LEU QD . . 5.440 4.542 3.523 4.776 . 0 0 "[ . 1 . 2]" 1
1301 1 62 LYS H 1 64 LEU MD2 . . 5.500 5.459 5.024 5.507 0.007 6 0 "[ . 1 . 2]" 1
1302 1 62 LYS HA 1 62 LYS HG2 . . 4.210 3.223 2.241 4.228 0.018 9 0 "[ . 1 . 2]" 1
1303 1 62 LYS HA 1 62 LYS QG . . 3.690 2.565 2.211 3.430 . 0 0 "[ . 1 . 2]" 1
1304 1 62 LYS HA 1 62 LYS HG3 . . 4.210 2.900 2.420 3.722 . 0 0 "[ . 1 . 2]" 1
1305 1 62 LYS HA 1 64 LEU H . . 4.470 3.923 3.828 4.118 . 0 0 "[ . 1 . 2]" 1
1306 1 62 LYS QB 1 63 LYS H . . 4.410 2.829 2.424 3.510 . 0 0 "[ . 1 . 2]" 1
1307 1 63 LYS H 1 63 LYS QB . . 3.190 2.252 2.227 2.677 . 0 0 "[ . 1 . 2]" 1
1308 1 63 LYS H 1 63 LYS QD . . 5.500 4.145 3.985 4.270 . 0 0 "[ . 1 . 2]" 1
1309 1 63 LYS H 1 63 LYS QE . . 4.950 4.360 4.058 4.961 0.011 11 0 "[ . 1 . 2]" 1
1310 1 63 LYS H 1 63 LYS QG . . 4.470 3.935 2.046 4.036 . 0 0 "[ . 1 . 2]" 1
1311 1 63 LYS H 1 64 LEU H . . 3.470 2.501 2.474 2.513 . 0 0 "[ . 1 . 2]" 1
1312 1 63 LYS H 1 64 LEU HB2 . . 5.230 5.086 4.479 5.164 . 0 0 "[ . 1 . 2]" 1
1313 1 63 LYS H 1 64 LEU QB . . 5.090 4.831 4.358 4.888 . 0 0 "[ . 1 . 2]" 1
1314 1 63 LYS H 1 64 LEU MD1 . . 5.500 4.757 3.162 4.942 . 0 0 "[ . 1 . 2]" 1
1315 1 63 LYS H 1 64 LEU QD . . 5.010 3.953 3.141 4.054 . 0 0 "[ . 1 . 2]" 1
1316 1 63 LYS H 1 64 LEU MD2 . . 5.500 4.317 4.135 5.391 . 0 0 "[ . 1 . 2]" 1
1317 1 63 LYS HA 1 63 LYS QG . . 3.470 2.538 2.481 3.330 . 0 0 "[ . 1 . 2]" 1
1318 1 63 LYS QB 1 64 LEU H . . 3.260 3.029 2.996 3.567 0.307 13 0 "[ . 1 . 2]" 1
1319 1 63 LYS QD 1 64 LEU H . . 3.690 3.465 3.354 3.665 . 0 0 "[ . 1 . 2]" 1
1320 1 63 LYS QD 1 64 LEU HA . . 4.020 3.189 2.933 3.823 . 0 0 "[ . 1 . 2]" 1
1321 1 63 LYS QE 1 64 LEU H . . 4.640 4.176 3.786 4.374 . 0 0 "[ . 1 . 2]" 1
1322 1 63 LYS QE 1 64 LEU QD . . 5.060 2.223 1.948 3.163 . 0 0 "[ . 1 . 2]" 1
1323 1 63 LYS QG 1 64 LEU H . . 4.180 4.076 2.181 4.182 0.002 7 0 "[ . 1 . 2]" 1
1324 1 64 LEU H 1 64 LEU HB2 . . 3.790 2.751 2.256 2.810 . 0 0 "[ . 1 . 2]" 1
1325 1 64 LEU H 1 64 LEU QB . . 3.440 2.669 2.231 2.720 . 0 0 "[ . 1 . 2]" 1
1326 1 64 LEU H 1 64 LEU HB3 . . 4.120 3.615 3.534 3.629 . 0 0 "[ . 1 . 2]" 1
1327 1 64 LEU H 1 64 LEU MD1 . . 4.190 3.462 1.898 3.623 . 0 0 "[ . 1 . 2]" 1
1328 1 64 LEU H 1 64 LEU QD . . 3.680 2.834 1.893 2.915 . 0 0 "[ . 1 . 2]" 1
1329 1 64 LEU H 1 64 LEU MD2 . . 4.200 3.094 2.969 3.850 . 0 0 "[ . 1 . 2]" 1
1330 1 64 LEU H 1 64 LEU HG . . 4.020 2.056 1.945 3.813 . 0 0 "[ . 1 . 2]" 1
1331 1 64 LEU H 1 65 PRO HD2 . . 4.940 4.791 4.771 4.800 . 0 0 "[ . 1 . 2]" 1
1332 1 64 LEU H 1 65 PRO QD . . 4.820 4.374 4.354 4.378 . 0 0 "[ . 1 . 2]" 1
1333 1 64 LEU H 1 69 LYS HE2 . . 5.500 4.368 4.071 5.444 . 0 0 "[ . 1 . 2]" 1
1334 1 64 LEU H 1 69 LYS QE . . 4.860 4.128 3.901 4.616 . 0 0 "[ . 1 . 2]" 1
1335 1 64 LEU H 1 69 LYS HE3 . . 5.500 5.151 4.830 5.502 0.002 4 0 "[ . 1 . 2]" 1
1336 1 64 LEU HA 1 64 LEU MD1 . . 4.520 3.915 2.708 3.993 . 0 0 "[ . 1 . 2]" 1
1337 1 64 LEU HA 1 64 LEU QD . . 3.490 2.246 2.148 2.652 . 0 0 "[ . 1 . 2]" 1
1338 1 64 LEU HA 1 64 LEU MD2 . . 4.320 2.313 2.157 3.785 . 0 0 "[ . 1 . 2]" 1
1339 1 64 LEU HA 1 65 PRO HD2 . . 3.250 2.391 2.376 2.402 . 0 0 "[ . 1 . 2]" 1
1340 1 64 LEU HA 1 65 PRO QD . . 2.760 2.085 2.077 2.092 . 0 0 "[ . 1 . 2]" 1
1341 1 64 LEU HA 1 65 PRO HD3 . . 3.070 2.297 2.291 2.301 . 0 0 "[ . 1 . 2]" 1
1342 1 64 LEU HA 1 68 ASP HB2 . . 5.500 4.758 4.165 5.433 . 0 0 "[ . 1 . 2]" 1
1343 1 64 LEU HA 1 68 ASP QB . . 4.800 4.175 3.970 4.298 . 0 0 "[ . 1 . 2]" 1
1344 1 64 LEU HA 1 68 ASP HB3 . . 5.500 4.954 4.123 5.515 0.015 20 0 "[ . 1 . 2]" 1
1345 1 64 LEU HB2 1 65 PRO HD2 . . 4.160 3.289 3.215 3.758 . 0 0 "[ . 1 . 2]" 1
1346 1 64 LEU HB2 1 65 PRO QD . . 4.070 3.206 3.140 3.628 . 0 0 "[ . 1 . 2]" 1
1347 1 64 LEU HB2 1 69 LYS HE2 . . 5.300 2.963 2.683 4.229 . 0 0 "[ . 1 . 2]" 1
1348 1 64 LEU HB2 1 69 LYS QE . . 4.620 2.864 2.599 3.807 . 0 0 "[ . 1 . 2]" 1
1349 1 64 LEU HB3 1 65 PRO HD2 . . 4.160 2.002 1.975 2.198 . 0 0 "[ . 1 . 2]" 1
1350 1 64 LEU HB3 1 65 PRO QD . . 3.730 1.988 1.962 2.180 . 0 0 "[ . 1 . 2]" 1
1351 1 64 LEU HB3 1 68 ASP HB2 . . 4.590 3.287 2.641 4.074 . 0 0 "[ . 1 . 2]" 1
1352 1 64 LEU HB3 1 68 ASP QB . . 3.950 2.635 2.404 2.855 . 0 0 "[ . 1 . 2]" 1
1353 1 64 LEU HB3 1 68 ASP HB3 . . 4.590 3.069 2.429 3.643 . 0 0 "[ . 1 . 2]" 1
1354 1 64 LEU QD 1 65 PRO HD2 . . 3.720 3.153 3.081 3.296 . 0 0 "[ . 1 . 2]" 1
1355 1 64 LEU QD 1 65 PRO QD . . 3.540 2.988 2.928 3.170 . 0 0 "[ . 1 . 2]" 1
1356 1 64 LEU QD 1 65 PRO HD3 . . 5.020 3.706 3.642 4.117 . 0 0 "[ . 1 . 2]" 1
1357 1 64 LEU QD 1 68 ASP QB . . 4.270 3.283 2.751 3.447 . 0 0 "[ . 1 . 2]" 1
1358 1 64 LEU QD 1 73 MET HA . . 5.440 5.445 5.403 5.474 0.034 17 0 "[ . 1 . 2]" 1
1359 1 64 LEU QD 1 74 SER H . . 4.540 4.246 4.118 4.375 . 0 0 "[ . 1 . 2]" 1
1360 1 64 LEU QD 1 74 SER HA . . 4.290 3.657 3.168 4.070 . 0 0 "[ . 1 . 2]" 1
1361 1 64 LEU QD 1 74 SER QB . . 3.440 2.320 1.998 2.626 . 0 0 "[ . 1 . 2]" 1
1362 1 64 LEU QD 1 75 ILE H . . 5.420 4.693 4.143 5.148 . 0 0 "[ . 1 . 2]" 1
1363 1 64 LEU MD1 1 68 ASP HB2 . . 5.500 4.487 3.918 5.214 . 0 0 "[ . 1 . 2]" 1
1364 1 64 LEU MD1 1 68 ASP HB3 . . 5.500 3.798 3.494 5.425 . 0 0 "[ . 1 . 2]" 1
1365 1 64 LEU MD2 1 68 ASP HB2 . . 5.500 4.731 3.352 5.374 . 0 0 "[ . 1 . 2]" 1
1366 1 64 LEU MD2 1 68 ASP HB3 . . 5.500 4.357 2.952 4.701 . 0 0 "[ . 1 . 2]" 1
1367 1 64 LEU HG 1 74 SER QB . . 5.500 4.534 4.123 4.962 . 0 0 "[ . 1 . 2]" 1
1368 1 65 PRO HA 1 66 ALA H . . 2.990 2.319 2.236 2.412 . 0 0 "[ . 1 . 2]" 1
1369 1 65 PRO HA 1 66 ALA MB . . 4.250 4.061 3.998 4.124 . 0 0 "[ . 1 . 2]" 1
1370 1 65 PRO HA 1 68 ASP HB2 . . 5.500 5.191 4.835 5.617 0.117 18 0 "[ . 1 . 2]" 1
1371 1 65 PRO HA 1 68 ASP QB . . 5.340 4.768 4.680 4.869 . 0 0 "[ . 1 . 2]" 1
1372 1 65 PRO HB2 1 66 ALA H . . 4.000 2.839 2.583 3.092 . 0 0 "[ . 1 . 2]" 1
1373 1 65 PRO HB2 1 66 ALA MB . . 4.720 4.171 4.008 4.281 . 0 0 "[ . 1 . 2]" 1
1374 1 65 PRO HB2 1 67 LYS H . . 4.540 2.420 2.335 2.477 . 0 0 "[ . 1 . 2]" 1
1375 1 65 PRO HB2 1 68 ASP H . . 4.310 3.001 2.955 3.048 . 0 0 "[ . 1 . 2]" 1
1376 1 65 PRO HB3 1 66 ALA H . . 4.070 3.576 3.438 3.719 . 0 0 "[ . 1 . 2]" 1
1377 1 65 PRO HB3 1 67 LYS H . . 4.260 4.108 4.027 4.144 . 0 0 "[ . 1 . 2]" 1
1378 1 65 PRO QD 1 68 ASP QB . . 4.090 2.206 1.993 2.314 . 0 0 "[ . 1 . 2]" 1
1379 1 65 PRO HD2 1 68 ASP QB . . 4.180 2.223 2.003 2.336 . 0 0 "[ . 1 . 2]" 1
1380 1 65 PRO HG2 1 68 ASP H . . 3.720 2.377 2.246 2.469 . 0 0 "[ . 1 . 2]" 1
1381 1 65 PRO HG2 1 68 ASP HA . . 4.690 4.115 4.068 4.143 . 0 0 "[ . 1 . 2]" 1
1382 1 65 PRO HG2 1 68 ASP HB2 . . 4.370 1.968 1.934 1.989 . 0 0 "[ . 1 . 2]" 1
1383 1 65 PRO HG2 1 68 ASP QB . . 3.860 1.935 1.866 1.978 . 0 0 "[ . 1 . 2]" 1
1384 1 65 PRO HG2 1 68 ASP HB3 . . 4.410 3.103 2.445 3.523 . 0 0 "[ . 1 . 2]" 1
1385 1 65 PRO HG3 1 68 ASP H . . 4.940 4.062 3.951 4.152 . 0 0 "[ . 1 . 2]" 1
1386 1 66 ALA H 1 66 ALA MB . . 2.870 2.120 2.024 2.238 . 0 0 "[ . 1 . 2]" 1
1387 1 66 ALA H 1 69 LYS HE2 . . 5.500 5.080 3.520 5.499 . 0 0 "[ . 1 . 2]" 1
1388 1 66 ALA H 1 69 LYS HE3 . . 5.500 3.635 3.329 5.161 . 0 0 "[ . 1 . 2]" 1
1389 1 66 ALA HA 1 68 ASP H . . 4.220 4.053 4.009 4.112 . 0 0 "[ . 1 . 2]" 1
1390 1 66 ALA HA 1 69 LYS HB2 . . 4.900 4.694 4.672 4.784 . 0 0 "[ . 1 . 2]" 1
1391 1 66 ALA HA 1 69 LYS HB3 . . 5.130 4.236 4.070 4.279 . 0 0 "[ . 1 . 2]" 1
1392 1 66 ALA HA 1 69 LYS QD . . 4.700 2.474 2.236 2.719 . 0 0 "[ . 1 . 2]" 1
1393 1 66 ALA HA 1 69 LYS HD3 . . 4.810 3.820 3.685 4.010 . 0 0 "[ . 1 . 2]" 1
1394 1 66 ALA HA 1 69 LYS HE2 . . 3.890 3.575 1.994 3.890 . 0 0 "[ . 1 . 2]" 1
1395 1 66 ALA HA 1 69 LYS HE3 . . 3.890 2.279 1.995 3.549 . 0 0 "[ . 1 . 2]" 1
1396 1 66 ALA MB 1 69 LYS H . . 5.500 4.883 4.833 4.941 . 0 0 "[ . 1 . 2]" 1
1397 1 66 ALA MB 1 69 LYS QE . . 4.920 3.519 3.221 3.764 . 0 0 "[ . 1 . 2]" 1
1398 1 67 LYS H 1 67 LYS HB2 . . 3.700 3.589 3.583 3.597 . 0 0 "[ . 1 . 2]" 1
1399 1 67 LYS H 1 67 LYS QB . . 3.010 2.401 2.379 2.452 . 0 0 "[ . 1 . 2]" 1
1400 1 67 LYS H 1 67 LYS HB3 . . 3.700 2.439 2.415 2.495 . 0 0 "[ . 1 . 2]" 1
1401 1 67 LYS H 1 67 LYS QD . . 3.680 3.357 3.005 3.681 0.001 8 0 "[ . 1 . 2]" 1
1402 1 67 LYS H 1 67 LYS QG . . 3.070 2.331 2.179 2.409 . 0 0 "[ . 1 . 2]" 1
1403 1 67 LYS H 1 68 ASP H . . 3.810 2.535 2.484 2.561 . 0 0 "[ . 1 . 2]" 1
1404 1 67 LYS H 1 68 ASP QB . . 5.340 4.494 4.380 4.571 . 0 0 "[ . 1 . 2]" 1
1405 1 67 LYS H 1 69 LYS H . . 4.970 4.406 4.353 4.425 . 0 0 "[ . 1 . 2]" 1
1406 1 67 LYS HA 1 67 LYS QG . . 3.480 3.331 3.329 3.339 . 0 0 "[ . 1 . 2]" 1
1407 1 67 LYS HA 1 69 LYS H . . 3.850 3.563 3.554 3.590 . 0 0 "[ . 1 . 2]" 1
1408 1 67 LYS QD 1 68 ASP HA . . 5.450 5.437 5.413 5.451 0.001 19 0 "[ . 1 . 2]" 1
1409 1 67 LYS QG 1 68 ASP H . . 4.010 2.185 2.047 2.317 . 0 0 "[ . 1 . 2]" 1
1410 1 67 LYS QG 1 68 ASP HA . . 4.170 3.453 3.361 3.502 . 0 0 "[ . 1 . 2]" 1
1411 1 67 LYS QG 1 68 ASP QB . . 4.960 3.148 2.775 3.443 . 0 0 "[ . 1 . 2]" 1
1412 1 67 LYS HG2 1 68 ASP H . . 4.630 2.246 2.067 2.478 . 0 0 "[ . 1 . 2]" 1
1413 1 67 LYS HG2 1 68 ASP HA . . 4.980 4.194 3.950 4.572 . 0 0 "[ . 1 . 2]" 1
1414 1 67 LYS HG3 1 68 ASP H . . 4.630 3.111 2.783 3.333 . 0 0 "[ . 1 . 2]" 1
1415 1 67 LYS HG3 1 68 ASP HA . . 4.980 3.702 3.480 3.913 . 0 0 "[ . 1 . 2]" 1
1416 1 68 ASP H 1 68 ASP HB2 . . 3.840 2.487 2.394 2.621 . 0 0 "[ . 1 . 2]" 1
1417 1 68 ASP H 1 68 ASP QB . . 3.270 2.366 2.349 2.399 . 0 0 "[ . 1 . 2]" 1
1418 1 68 ASP H 1 68 ASP HB3 . . 3.930 3.247 2.658 3.640 . 0 0 "[ . 1 . 2]" 1
1419 1 68 ASP H 1 69 LYS H . . 3.330 2.923 2.904 2.943 . 0 0 "[ . 1 . 2]" 1
1420 1 68 ASP H 1 69 LYS HG2 . . 5.500 3.508 3.444 3.782 . 0 0 "[ . 1 . 2]" 1
1421 1 68 ASP H 1 69 LYS QG . . 5.250 3.437 3.377 3.710 . 0 0 "[ . 1 . 2]" 1
1422 1 68 ASP H 1 69 LYS HG3 . . 5.500 4.948 4.512 5.367 . 0 0 "[ . 1 . 2]" 1
1423 1 68 ASP HA 1 75 ILE MD . . 4.370 3.636 2.285 4.380 0.010 10 0 "[ . 1 . 2]" 1
1424 1 68 ASP QB 1 69 LYS H . . 4.100 3.812 3.799 3.826 . 0 0 "[ . 1 . 2]" 1
1425 1 68 ASP QB 1 75 ILE MD . . 5.340 4.284 2.996 5.062 . 0 0 "[ . 1 . 2]" 1
1426 1 68 ASP HB2 1 69 LYS H . . 4.760 4.304 4.139 4.548 . 0 0 "[ . 1 . 2]" 1
1427 1 68 ASP HB3 1 69 LYS H . . 4.820 4.302 4.107 4.438 . 0 0 "[ . 1 . 2]" 1
1428 1 69 LYS H 1 69 LYS QE . . 5.340 4.507 4.343 4.980 . 0 0 "[ . 1 . 2]" 1
1429 1 69 LYS H 1 69 LYS QG . . 4.270 2.655 2.606 2.723 . 0 0 "[ . 1 . 2]" 1
1430 1 69 LYS H 1 70 LYS H . . 5.010 4.230 4.207 4.379 . 0 0 "[ . 1 . 2]" 1
1431 1 69 LYS HA 1 69 LYS HD3 . . 5.500 4.578 4.391 4.649 . 0 0 "[ . 1 . 2]" 1
1432 1 69 LYS HA 1 69 LYS QE . . 5.340 4.635 4.393 5.407 0.067 17 0 "[ . 1 . 2]" 1
1433 1 69 LYS HA 1 69 LYS QG . . 3.740 3.342 3.328 3.343 . 0 0 "[ . 1 . 2]" 1
1434 1 69 LYS HA 1 70 LYS H . . 3.250 2.223 2.195 2.546 . 0 0 "[ . 1 . 2]" 1
1435 1 69 LYS HA 1 70 LYS HB2 . . 5.400 4.459 4.173 4.630 . 0 0 "[ . 1 . 2]" 1
1436 1 69 LYS HA 1 70 LYS HB3 . . 5.480 4.696 4.469 5.184 . 0 0 "[ . 1 . 2]" 1
1437 1 69 LYS HA 1 73 MET H . . 5.250 4.500 4.057 4.871 . 0 0 "[ . 1 . 2]" 1
1438 1 69 LYS HA 1 74 SER HA . . 3.850 2.422 2.232 2.777 . 0 0 "[ . 1 . 2]" 1
1439 1 69 LYS HA 1 74 SER QB . . 4.900 4.272 3.915 4.581 . 0 0 "[ . 1 . 2]" 1
1440 1 69 LYS HA 1 75 ILE H . . 4.370 3.245 2.915 3.760 . 0 0 "[ . 1 . 2]" 1
1441 1 69 LYS HA 1 75 ILE MD . . 3.840 2.709 2.348 3.231 . 0 0 "[ . 1 . 2]" 1
1442 1 69 LYS HA 1 75 ILE QG . . 5.090 3.764 3.309 4.257 . 0 0 "[ . 1 . 2]" 1
1443 1 69 LYS HA 1 75 ILE HG13 . . 5.500 3.862 3.371 4.383 . 0 0 "[ . 1 . 2]" 1
1444 1 69 LYS HB2 1 69 LYS HE2 . . 5.310 3.406 3.147 4.399 . 0 0 "[ . 1 . 2]" 1
1445 1 69 LYS HB2 1 69 LYS HE3 . . 5.310 4.229 4.078 4.429 . 0 0 "[ . 1 . 2]" 1
1446 1 69 LYS HB2 1 70 LYS H . . 4.050 2.970 2.176 3.077 . 0 0 "[ . 1 . 2]" 1
1447 1 69 LYS HB2 1 72 ASP H . . 5.500 4.484 3.956 4.688 . 0 0 "[ . 1 . 2]" 1
1448 1 69 LYS HB2 1 72 ASP HA . . 5.500 4.089 3.605 4.306 . 0 0 "[ . 1 . 2]" 1
1449 1 69 LYS HB2 1 73 MET H . . 4.230 2.768 2.390 2.998 . 0 0 "[ . 1 . 2]" 1
1450 1 69 LYS HB2 1 73 MET HA . . 5.480 3.412 3.248 3.758 . 0 0 "[ . 1 . 2]" 1
1451 1 69 LYS HB2 1 74 SER H . . 5.490 3.679 3.429 4.070 . 0 0 "[ . 1 . 2]" 1
1452 1 69 LYS HB2 1 74 SER HA . . 4.880 2.976 2.820 3.402 . 0 0 "[ . 1 . 2]" 1
1453 1 69 LYS HB3 1 69 LYS HE2 . . 5.310 2.508 2.105 3.740 . 0 0 "[ . 1 . 2]" 1
1454 1 69 LYS HB3 1 69 LYS QE . . 5.120 2.437 2.087 3.431 . 0 0 "[ . 1 . 2]" 1
1455 1 69 LYS HB3 1 69 LYS HE3 . . 5.310 3.429 3.081 3.992 . 0 0 "[ . 1 . 2]" 1
1456 1 69 LYS HB3 1 70 LYS H . . 4.940 4.082 3.651 4.202 . 0 0 "[ . 1 . 2]" 1
1457 1 69 LYS HB3 1 72 ASP HA . . 5.500 5.262 4.750 5.456 . 0 0 "[ . 1 . 2]" 1
1458 1 69 LYS HB3 1 73 MET H . . 4.990 4.502 4.141 4.706 . 0 0 "[ . 1 . 2]" 1
1459 1 69 LYS HB3 1 73 MET HA . . 5.500 4.586 4.402 4.919 . 0 0 "[ . 1 . 2]" 1
1460 1 69 LYS HB3 1 74 SER H . . 5.500 4.319 3.994 4.804 . 0 0 "[ . 1 . 2]" 1
1461 1 69 LYS HB3 1 74 SER HA . . 5.500 3.052 2.814 3.556 . 0 0 "[ . 1 . 2]" 1
1462 1 69 LYS HB3 1 75 ILE H . . 5.500 4.905 4.598 5.514 0.014 10 0 "[ . 1 . 2]" 1
1463 1 69 LYS QD 1 72 ASP H . . 5.230 4.105 3.054 4.552 . 0 0 "[ . 1 . 2]" 1
1464 1 69 LYS QD 1 72 ASP HA . . 4.270 2.306 1.937 2.785 . 0 0 "[ . 1 . 2]" 1
1465 1 69 LYS QD 1 73 MET H . . 5.340 3.141 2.390 3.540 . 0 0 "[ . 1 . 2]" 1
1466 1 69 LYS QD 1 73 MET HA . . 5.340 3.371 2.887 3.980 . 0 0 "[ . 1 . 2]" 1
1467 1 69 LYS HD2 1 72 ASP H . . 5.500 4.803 3.522 5.404 . 0 0 "[ . 1 . 2]" 1
1468 1 69 LYS HD2 1 72 ASP HA . . 5.150 2.537 2.019 3.207 . 0 0 "[ . 1 . 2]" 1
1469 1 69 LYS HD3 1 72 ASP H . . 5.500 4.470 3.348 4.913 . 0 0 "[ . 1 . 2]" 1
1470 1 69 LYS HD3 1 72 ASP HA . . 5.150 2.747 2.105 3.057 . 0 0 "[ . 1 . 2]" 1
1471 1 69 LYS HD3 1 73 MET H . . 5.070 3.245 2.424 3.670 . 0 0 "[ . 1 . 2]" 1
1472 1 69 LYS HD3 1 73 MET HA . . 5.500 3.424 2.925 4.055 . 0 0 "[ . 1 . 2]" 1
1473 1 69 LYS HD3 1 74 SER H . . 5.500 4.585 4.160 5.213 . 0 0 "[ . 1 . 2]" 1
1474 1 69 LYS QE 1 69 LYS QG . . 3.310 2.180 2.004 2.339 . 0 0 "[ . 1 . 2]" 1
1475 1 69 LYS QE 1 72 ASP HA . . 5.180 4.382 3.649 4.911 . 0 0 "[ . 1 . 2]" 1
1476 1 69 LYS QG 1 70 LYS H . . 5.050 3.879 3.200 3.975 . 0 0 "[ . 1 . 2]" 1
1477 1 69 LYS QG 1 72 ASP H . . 5.340 4.271 2.907 4.781 . 0 0 "[ . 1 . 2]" 1
1478 1 69 LYS QG 1 73 MET H . . 5.340 3.556 3.129 3.848 . 0 0 "[ . 1 . 2]" 1
1479 1 69 LYS HG2 1 70 LYS H . . 5.260 4.994 4.434 5.097 . 0 0 "[ . 1 . 2]" 1
1480 1 69 LYS HG2 1 73 MET H . . 5.290 5.024 4.733 5.292 0.002 10 0 "[ . 1 . 2]" 1
1481 1 69 LYS HG3 1 70 LYS H . . 5.420 4.044 3.282 4.151 . 0 0 "[ . 1 . 2]" 1
1482 1 69 LYS HG3 1 73 MET H . . 4.700 3.639 3.174 4.009 . 0 0 "[ . 1 . 2]" 1
1483 1 70 LYS H 1 70 LYS HB2 . . 4.010 2.692 2.198 3.241 . 0 0 "[ . 1 . 2]" 1
1484 1 70 LYS H 1 70 LYS HB3 . . 4.000 2.556 2.350 2.988 . 0 0 "[ . 1 . 2]" 1
1485 1 70 LYS H 1 70 LYS QE . . 5.370 4.523 4.260 4.935 . 0 0 "[ . 1 . 2]" 1
1486 1 70 LYS H 1 70 LYS HG2 . . 5.500 4.542 4.077 5.036 . 0 0 "[ . 1 . 2]" 1
1487 1 70 LYS H 1 70 LYS HG3 . . 5.500 4.403 4.285 4.615 . 0 0 "[ . 1 . 2]" 1
1488 1 70 LYS H 1 73 MET H . . 3.660 3.418 2.732 3.596 . 0 0 "[ . 1 . 2]" 1
1489 1 70 LYS H 1 73 MET HA . . 5.440 5.083 4.339 5.206 . 0 0 "[ . 1 . 2]" 1
1490 1 70 LYS H 1 73 MET QB . . 5.340 5.041 4.664 5.173 . 0 0 "[ . 1 . 2]" 1
1491 1 70 LYS H 1 73 MET HG2 . . 5.500 3.893 3.044 4.221 . 0 0 "[ . 1 . 2]" 1
1492 1 70 LYS H 1 74 SER HA . . 4.390 3.423 2.967 3.780 . 0 0 "[ . 1 . 2]" 1
1493 1 70 LYS H 1 74 SER QB . . 5.460 5.225 4.807 5.475 0.015 7 0 "[ . 1 . 2]" 1
1494 1 70 LYS H 1 75 ILE MD . . 4.450 3.602 3.119 4.451 0.001 10 0 "[ . 1 . 2]" 1
1495 1 70 LYS HA 1 70 LYS HD2 . . 5.310 3.772 3.602 4.044 . 0 0 "[ . 1 . 2]" 1
1496 1 70 LYS HA 1 70 LYS QD . . 4.710 2.279 1.989 2.983 . 0 0 "[ . 1 . 2]" 1
1497 1 70 LYS HA 1 70 LYS HD3 . . 5.350 2.307 1.998 3.072 . 0 0 "[ . 1 . 2]" 1
1498 1 70 LYS HA 1 70 LYS QG . . 3.580 2.890 2.378 3.106 . 0 0 "[ . 1 . 2]" 1
1499 1 70 LYS HA 1 71 SER H . . 3.080 2.143 2.139 2.165 . 0 0 "[ . 1 . 2]" 1
1500 1 70 LYS HA 1 75 ILE MD . . 5.500 5.082 4.382 5.531 0.031 7 0 "[ . 1 . 2]" 1
1501 1 70 LYS HB2 1 70 LYS QE . . 4.780 2.529 2.002 3.852 . 0 0 "[ . 1 . 2]" 1
1502 1 70 LYS HB2 1 71 SER H . . 5.500 4.356 4.233 4.598 . 0 0 "[ . 1 . 2]" 1
1503 1 70 LYS HB2 1 75 ILE HA . . 5.500 4.124 3.049 4.666 . 0 0 "[ . 1 . 2]" 1
1504 1 70 LYS HB2 1 78 TYR QE . . 5.500 4.798 4.293 5.174 . 0 0 "[ . 1 . 2]" 1
1505 1 70 LYS HB3 1 70 LYS QE . . 5.130 3.489 3.394 3.735 . 0 0 "[ . 1 . 2]" 1
1506 1 70 LYS HB3 1 71 SER H . . 5.500 4.287 4.015 4.433 . 0 0 "[ . 1 . 2]" 1
1507 1 70 LYS HB3 1 73 MET H . . 5.500 4.271 4.033 4.713 . 0 0 "[ . 1 . 2]" 1
1508 1 70 LYS HB3 1 73 MET QB . . 5.340 5.277 5.053 5.426 0.086 10 0 "[ . 1 . 2]" 1
1509 1 70 LYS HB3 1 73 MET HG2 . . 5.250 3.527 3.000 4.639 . 0 0 "[ . 1 . 2]" 1
1510 1 70 LYS HB3 1 73 MET HG3 . . 5.500 3.989 3.797 4.605 . 0 0 "[ . 1 . 2]" 1
1511 1 70 LYS HB3 1 75 ILE HA . . 5.370 4.032 3.635 4.402 . 0 0 "[ . 1 . 2]" 1
1512 1 70 LYS HB3 1 78 TYR H . . 5.500 5.499 5.385 5.547 0.047 6 0 "[ . 1 . 2]" 1
1513 1 70 LYS HB3 1 78 TYR HB2 . . 4.610 3.319 3.131 3.486 . 0 0 "[ . 1 . 2]" 1
1514 1 70 LYS HB3 1 78 TYR HB3 . . 5.120 4.193 3.921 4.404 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LYS HB3 1 78 TYR QD . . 4.660 2.506 1.997 2.907 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LYS HB3 1 78 TYR QE . . 5.500 3.604 3.142 3.947 . 0 0 "[ . 1 . 2]" 1
1517 1 70 LYS QD 1 71 SER H . . 4.760 2.533 2.142 3.127 . 0 0 "[ . 1 . 2]" 1
1518 1 70 LYS QD 1 71 SER QB . . 5.340 3.116 2.185 3.905 . 0 0 "[ . 1 . 2]" 1
1519 1 70 LYS QD 1 72 ASP H . . 5.340 4.898 4.245 5.278 . 0 0 "[ . 1 . 2]" 1
1520 1 70 LYS QD 1 78 TYR QE . . 4.640 3.705 2.859 4.255 . 0 0 "[ . 1 . 2]" 1
1521 1 70 LYS HD2 1 71 SER H . . 5.360 3.991 3.720 4.466 . 0 0 "[ . 1 . 2]" 1
1522 1 70 LYS HD2 1 78 TYR QD . . 5.500 5.190 4.511 5.501 0.001 20 0 "[ . 1 . 2]" 1
1523 1 70 LYS HD2 1 78 TYR QE . . 5.460 4.064 3.460 4.561 . 0 0 "[ . 1 . 2]" 1
1524 1 70 LYS HD3 1 71 SER H . . 5.410 2.565 2.155 3.193 . 0 0 "[ . 1 . 2]" 1
1525 1 70 LYS HD3 1 71 SER QB . . 5.500 3.356 2.202 4.333 . 0 0 "[ . 1 . 2]" 1
1526 1 70 LYS HD3 1 72 ASP H . . 5.500 5.134 4.332 5.500 . 0 0 "[ . 1 . 2]" 1
1527 1 70 LYS HD3 1 78 TYR QD . . 5.500 4.979 3.607 5.497 . 0 0 "[ . 1 . 2]" 1
1528 1 70 LYS HD3 1 78 TYR QE . . 5.460 4.394 3.011 5.092 . 0 0 "[ . 1 . 2]" 1
1529 1 70 LYS QE 1 75 ILE MD . . 5.500 5.188 4.248 5.518 0.018 17 0 "[ . 1 . 2]" 1
1530 1 70 LYS QE 1 78 TYR QE . . 5.270 4.799 4.340 5.272 0.002 10 0 "[ . 1 . 2]" 1
1531 1 70 LYS QG 1 71 SER H . . 4.800 3.517 3.190 4.039 . 0 0 "[ . 1 . 2]" 1
1532 1 70 LYS QG 1 71 SER QB . . 5.340 2.902 2.337 4.380 . 0 0 "[ . 1 . 2]" 1
1533 1 70 LYS QG 1 78 TYR QD . . 4.540 3.174 2.811 3.899 . 0 0 "[ . 1 . 2]" 1
1534 1 70 LYS QG 1 78 TYR QE . . 4.560 2.721 1.940 4.077 . 0 0 "[ . 1 . 2]" 1
1535 1 70 LYS HG2 1 71 SER H . . 5.500 4.590 3.946 4.907 . 0 0 "[ . 1 . 2]" 1
1536 1 70 LYS HG2 1 78 TYR QD . . 5.420 3.902 3.153 5.143 . 0 0 "[ . 1 . 2]" 1
1537 1 70 LYS HG2 1 78 TYR QE . . 5.400 3.565 2.486 5.346 . 0 0 "[ . 1 . 2]" 1
1538 1 70 LYS HG3 1 71 SER H . . 5.500 3.846 3.241 5.109 . 0 0 "[ . 1 . 2]" 1
1539 1 70 LYS HG3 1 78 TYR QD . . 5.420 3.383 3.106 4.038 . 0 0 "[ . 1 . 2]" 1
1540 1 70 LYS HG3 1 78 TYR QE . . 5.400 2.842 2.025 4.229 . 0 0 "[ . 1 . 2]" 1
1541 1 71 SER H 1 71 SER QB . . 3.260 3.078 3.002 3.107 . 0 0 "[ . 1 . 2]" 1
1542 1 71 SER HA 1 73 MET H . . 5.390 4.966 4.279 5.109 . 0 0 "[ . 1 . 2]" 1
1543 1 71 SER QB 1 73 MET QB . . 5.340 4.734 3.590 4.882 . 0 0 "[ . 1 . 2]" 1
1544 1 71 SER QB 1 73 MET ME . . 5.500 4.928 3.438 5.200 . 0 0 "[ . 1 . 2]" 1
1545 1 71 SER QB 1 78 TYR QD . . 4.270 3.765 2.892 4.270 0.000 18 0 "[ . 1 . 2]" 1
1546 1 71 SER QB 1 78 TYR QE . . 4.090 3.021 2.026 3.783 . 0 0 "[ . 1 . 2]" 1
1547 1 72 ASP H 1 73 MET H . . 4.230 2.016 1.894 2.602 . 0 0 "[ . 1 . 2]" 1
1548 1 72 ASP H 1 73 MET HG2 . . 5.200 2.973 2.677 4.873 . 0 0 "[ . 1 . 2]" 1
1549 1 73 MET H 1 73 MET QB . . 3.650 3.209 2.992 3.269 . 0 0 "[ . 1 . 2]" 1
1550 1 73 MET H 1 73 MET HB3 . . 4.000 3.408 3.093 3.518 . 0 0 "[ . 1 . 2]" 1
1551 1 73 MET H 1 73 MET ME . . 5.100 4.765 4.592 4.852 . 0 0 "[ . 1 . 2]" 1
1552 1 73 MET H 1 73 MET HG2 . . 4.940 2.308 2.238 2.823 . 0 0 "[ . 1 . 2]" 1
1553 1 73 MET H 1 73 MET HG3 . . 4.670 3.782 3.389 4.257 . 0 0 "[ . 1 . 2]" 1
1554 1 73 MET H 1 74 SER H . . 5.440 4.321 4.228 4.360 . 0 0 "[ . 1 . 2]" 1
1555 1 73 MET H 1 74 SER HA . . 5.500 4.789 4.695 4.848 . 0 0 "[ . 1 . 2]" 1
1556 1 73 MET HA 1 73 MET ME . . 4.470 4.098 3.989 4.406 . 0 0 "[ . 1 . 2]" 1
1557 1 73 MET QB 1 74 SER H . . 3.870 2.779 2.625 3.015 . 0 0 "[ . 1 . 2]" 1
1558 1 73 MET QB 1 77 HIS HA . . 5.340 5.310 5.087 5.350 0.010 7 0 "[ . 1 . 2]" 1
1559 1 73 MET QB 1 77 HIS HB3 . . 4.070 3.595 3.369 3.769 . 0 0 "[ . 1 . 2]" 1
1560 1 73 MET QB 1 78 TYR H . . 5.140 3.798 3.628 4.244 . 0 0 "[ . 1 . 2]" 1
1561 1 73 MET QB 1 78 TYR HA . . 5.340 3.869 3.695 4.131 . 0 0 "[ . 1 . 2]" 1
1562 1 73 MET QB 1 78 TYR HB2 . . 5.340 3.848 3.606 4.354 . 0 0 "[ . 1 . 2]" 1
1563 1 73 MET QB 1 78 TYR QD . . 5.340 4.048 3.985 4.417 . 0 0 "[ . 1 . 2]" 1
1564 1 73 MET QB 1 81 VAL QG . . 5.280 3.848 3.544 4.017 . 0 0 "[ . 1 . 2]" 1
1565 1 73 MET HB2 1 74 SER H . . 4.440 2.840 2.671 3.118 . 0 0 "[ . 1 . 2]" 1
1566 1 73 MET HB2 1 77 HIS HA . . 5.500 5.489 5.267 5.532 0.032 7 0 "[ . 1 . 2]" 1
1567 1 73 MET HB2 1 77 HIS HB3 . . 4.190 3.681 3.422 3.865 . 0 0 "[ . 1 . 2]" 1
1568 1 73 MET HB2 1 78 TYR H . . 5.280 3.875 3.693 4.409 . 0 0 "[ . 1 . 2]" 1
1569 1 73 MET HB2 1 78 TYR HB2 . . 5.140 3.993 3.717 4.727 . 0 0 "[ . 1 . 2]" 1
1570 1 73 MET HB2 1 81 VAL QG . . 5.440 4.207 3.820 4.418 . 0 0 "[ . 1 . 2]" 1
1571 1 73 MET HB3 1 74 SER H . . 4.400 3.957 3.846 4.171 . 0 0 "[ . 1 . 2]" 1
1572 1 73 MET HB3 1 78 TYR QD . . 5.500 4.699 4.624 5.096 . 0 0 "[ . 1 . 2]" 1
1573 1 73 MET ME 1 73 MET HG3 . . 3.470 2.602 2.367 2.711 . 0 0 "[ . 1 . 2]" 1
1574 1 73 MET ME 1 74 SER H . . 5.110 4.816 4.615 5.115 0.005 3 0 "[ . 1 . 2]" 1
1575 1 73 MET ME 1 78 TYR H . . 5.430 4.134 3.651 4.297 . 0 0 "[ . 1 . 2]" 1
1576 1 73 MET ME 1 78 TYR HA . . 4.120 2.644 2.295 2.844 . 0 0 "[ . 1 . 2]" 1
1577 1 73 MET ME 1 78 TYR HB2 . . 5.500 4.030 3.789 4.235 . 0 0 "[ . 1 . 2]" 1
1578 1 73 MET ME 1 78 TYR QD . . 4.950 3.848 3.396 4.105 . 0 0 "[ . 1 . 2]" 1
1579 1 73 MET ME 1 80 ALA H . . 5.500 5.480 4.855 5.528 0.028 20 0 "[ . 1 . 2]" 1
1580 1 73 MET ME 1 81 VAL H . . 4.670 4.063 3.536 4.150 . 0 0 "[ . 1 . 2]" 1
1581 1 73 MET ME 1 81 VAL HB . . 3.990 2.875 2.280 3.233 . 0 0 "[ . 1 . 2]" 1
1582 1 73 MET ME 1 81 VAL MG1 . . 3.480 2.072 1.897 2.581 . 0 0 "[ . 1 . 2]" 1
1583 1 73 MET ME 1 81 VAL QG . . 3.010 1.830 1.681 1.928 . 0 0 "[ . 1 . 2]" 1
1584 1 73 MET ME 1 81 VAL MG2 . . 3.480 2.385 1.703 2.897 . 0 0 "[ . 1 . 2]" 1
1585 1 73 MET ME 1 82 HIS H . . 5.500 4.903 4.604 5.142 . 0 0 "[ . 1 . 2]" 1
1586 1 73 MET ME 1 93 TRP HE1 . . 5.500 5.193 4.601 5.532 0.032 10 0 "[ . 1 . 2]" 1
1587 1 73 MET HG2 1 74 SER H . . 5.500 4.550 3.968 4.954 . 0 0 "[ . 1 . 2]" 1
1588 1 73 MET HG2 1 78 TYR HA . . 4.700 4.348 3.819 4.733 0.033 10 0 "[ . 1 . 2]" 1
1589 1 73 MET HG2 1 78 TYR QD . . 5.210 2.439 2.267 3.186 . 0 0 "[ . 1 . 2]" 1
1590 1 73 MET HG2 1 78 TYR QE . . 5.500 4.113 3.715 4.764 . 0 0 "[ . 1 . 2]" 1
1591 1 73 MET HG3 1 74 SER H . . 5.500 4.257 3.583 4.573 . 0 0 "[ . 1 . 2]" 1
1592 1 73 MET HG3 1 78 TYR H . . 5.500 3.342 2.646 3.902 . 0 0 "[ . 1 . 2]" 1
1593 1 73 MET HG3 1 78 TYR HA . . 4.600 2.735 2.501 3.117 . 0 0 "[ . 1 . 2]" 1
1594 1 73 MET HG3 1 78 TYR QD . . 5.100 2.295 2.133 3.414 . 0 0 "[ . 1 . 2]" 1
1595 1 73 MET HG3 1 78 TYR QE . . 5.500 4.441 4.075 5.534 0.034 7 0 "[ . 1 . 2]" 1
1596 1 73 MET HG3 1 81 VAL QG . . 5.440 3.684 3.584 3.785 . 0 0 "[ . 1 . 2]" 1
1597 1 74 SER H 1 75 ILE H . . 5.500 4.624 4.608 4.637 . 0 0 "[ . 1 . 2]" 1
1598 1 74 SER H 1 77 HIS HB2 . . 5.140 3.112 2.831 3.289 . 0 0 "[ . 1 . 2]" 1
1599 1 74 SER H 1 77 HIS HB3 . . 5.060 4.616 4.321 4.815 . 0 0 "[ . 1 . 2]" 1
1600 1 74 SER H 1 78 TYR H . . 5.500 4.520 4.401 4.648 . 0 0 "[ . 1 . 2]" 1
1601 1 74 SER HA 1 75 ILE H . . 3.250 2.280 2.204 2.430 . 0 0 "[ . 1 . 2]" 1
1602 1 74 SER HA 1 76 ALA H . . 4.610 4.140 3.988 4.389 . 0 0 "[ . 1 . 2]" 1
1603 1 74 SER HA 1 77 HIS HB2 . . 5.500 4.977 4.788 5.168 . 0 0 "[ . 1 . 2]" 1
1604 1 74 SER QB 1 75 ILE H . . 4.080 3.333 2.370 3.605 . 0 0 "[ . 1 . 2]" 1
1605 1 74 SER QB 1 75 ILE HB . . 5.500 5.091 4.240 5.301 . 0 0 "[ . 1 . 2]" 1
1606 1 74 SER QB 1 76 ALA H . . 4.510 3.410 2.820 3.633 . 0 0 "[ . 1 . 2]" 1
1607 1 74 SER QB 1 76 ALA MB . . 4.320 3.517 3.048 3.827 . 0 0 "[ . 1 . 2]" 1
1608 1 74 SER QB 1 78 TYR H . . 5.060 4.388 4.077 4.761 . 0 0 "[ . 1 . 2]" 1
1609 1 75 ILE H 1 75 ILE HB . . 3.430 2.565 2.496 2.654 . 0 0 "[ . 1 . 2]" 1
1610 1 75 ILE H 1 75 ILE MD . . 4.250 1.919 1.895 2.049 . 0 0 "[ . 1 . 2]" 1
1611 1 75 ILE H 1 75 ILE HG12 . . 3.990 3.787 3.686 3.857 . 0 0 "[ . 1 . 2]" 1
1612 1 75 ILE H 1 75 ILE QG . . 3.380 2.680 2.449 2.881 . 0 0 "[ . 1 . 2]" 1
1613 1 75 ILE H 1 75 ILE HG13 . . 3.870 2.742 2.486 2.974 . 0 0 "[ . 1 . 2]" 1
1614 1 75 ILE H 1 75 ILE MG . . 3.810 3.765 3.760 3.767 . 0 0 "[ . 1 . 2]" 1
1615 1 75 ILE H 1 76 ALA H . . 4.250 2.754 2.593 2.849 . 0 0 "[ . 1 . 2]" 1
1616 1 75 ILE HA 1 75 ILE MD . . 3.900 3.446 3.313 3.564 . 0 0 "[ . 1 . 2]" 1
1617 1 75 ILE HA 1 75 ILE HG12 . . 4.210 3.438 3.420 3.464 . 0 0 "[ . 1 . 2]" 1
1618 1 75 ILE HA 1 75 ILE HG13 . . 4.230 2.313 2.239 2.380 . 0 0 "[ . 1 . 2]" 1
1619 1 75 ILE HA 1 75 ILE MG . . 3.250 2.346 2.285 2.402 . 0 0 "[ . 1 . 2]" 1
1620 1 75 ILE HA 1 78 TYR H . . 4.780 3.415 3.305 3.462 . 0 0 "[ . 1 . 2]" 1
1621 1 75 ILE HA 1 78 TYR QD . . 4.640 4.257 4.042 4.401 . 0 0 "[ . 1 . 2]" 1
1622 1 75 ILE HA 1 79 ASN H . . 4.630 4.234 3.980 4.493 . 0 0 "[ . 1 . 2]" 1
1623 1 75 ILE HB 1 76 ALA H . . 3.580 2.751 2.555 2.851 . 0 0 "[ . 1 . 2]" 1
1624 1 75 ILE HB 1 76 ALA HA . . 4.820 4.286 4.174 4.394 . 0 0 "[ . 1 . 2]" 1
1625 1 75 ILE MD 1 78 TYR HB2 . . 5.500 5.497 5.325 5.521 0.021 5 0 "[ . 1 . 2]" 1
1626 1 75 ILE QG 1 78 TYR H . . 5.340 5.346 5.266 5.383 0.043 20 0 "[ . 1 . 2]" 1
1627 1 75 ILE QG 1 78 TYR QD . . 5.340 5.138 4.911 5.274 . 0 0 "[ . 1 . 2]" 1
1628 1 75 ILE HG13 1 78 TYR QD . . 5.500 5.384 5.130 5.506 0.006 19 0 "[ . 1 . 2]" 1
1629 1 75 ILE MG 1 76 ALA H . . 3.870 3.534 3.417 3.598 . 0 0 "[ . 1 . 2]" 1
1630 1 75 ILE MG 1 76 ALA HA . . 4.250 3.518 3.424 3.608 . 0 0 "[ . 1 . 2]" 1
1631 1 75 ILE MG 1 78 TYR HB3 . . 5.500 3.518 3.252 3.616 . 0 0 "[ . 1 . 2]" 1
1632 1 75 ILE MG 1 78 TYR QD . . 4.900 4.627 4.068 4.908 0.008 5 0 "[ . 1 . 2]" 1
1633 1 75 ILE MG 1 79 ASN H . . 4.480 4.179 3.923 4.388 . 0 0 "[ . 1 . 2]" 1
1634 1 75 ILE MG 1 79 ASN HB2 . . 4.930 4.437 4.121 4.814 . 0 0 "[ . 1 . 2]" 1
1635 1 75 ILE MG 1 79 ASN HD21 . . 3.670 3.003 2.572 3.649 . 0 0 "[ . 1 . 2]" 1
1636 1 75 ILE MG 1 79 ASN QD . . 3.190 2.624 2.343 3.009 . 0 0 "[ . 1 . 2]" 1
1637 1 75 ILE MG 1 79 ASN HD22 . . 3.670 2.916 2.574 3.265 . 0 0 "[ . 1 . 2]" 1
1638 1 76 ALA H 1 76 ALA MB . . 3.000 2.100 2.026 2.227 . 0 0 "[ . 1 . 2]" 1
1639 1 76 ALA H 1 77 HIS H . . 3.650 2.669 2.580 2.795 . 0 0 "[ . 1 . 2]" 1
1640 1 76 ALA H 1 78 TYR H . . 5.310 3.960 3.907 4.104 . 0 0 "[ . 1 . 2]" 1
1641 1 76 ALA HA 1 78 TYR HB3 . . 5.500 5.399 5.245 5.505 0.005 14 0 "[ . 1 . 2]" 1
1642 1 76 ALA HA 1 79 ASN H . . 4.280 3.904 3.846 3.969 . 0 0 "[ . 1 . 2]" 1
1643 1 76 ALA HA 1 79 ASN HB2 . . 3.470 3.395 3.221 3.494 0.024 7 0 "[ . 1 . 2]" 1
1644 1 76 ALA HA 1 79 ASN HD21 . . 4.790 2.969 2.457 3.417 . 0 0 "[ . 1 . 2]" 1
1645 1 76 ALA HA 1 79 ASN QD . . 4.010 2.929 2.433 3.342 . 0 0 "[ . 1 . 2]" 1
1646 1 76 ALA HA 1 79 ASN HD22 . . 4.790 4.486 3.931 4.792 0.002 7 0 "[ . 1 . 2]" 1
1647 1 76 ALA MB 1 77 HIS H . . 3.520 2.590 2.357 2.740 . 0 0 "[ . 1 . 2]" 1
1648 1 76 ALA MB 1 77 HIS HA . . 4.400 3.770 3.723 3.839 . 0 0 "[ . 1 . 2]" 1
1649 1 76 ALA MB 1 79 ASN HB2 . . 4.870 4.646 4.537 4.744 . 0 0 "[ . 1 . 2]" 1
1650 1 77 HIS H 1 77 HIS HB2 . . 4.000 2.524 2.354 2.626 . 0 0 "[ . 1 . 2]" 1
1651 1 77 HIS H 1 77 HIS HB3 . . 3.710 3.607 3.582 3.614 . 0 0 "[ . 1 . 2]" 1
1652 1 77 HIS H 1 77 HIS HD2 . . 4.940 3.837 3.135 4.615 . 0 0 "[ . 1 . 2]" 1
1653 1 77 HIS H 1 78 TYR H . . 3.770 2.467 2.450 2.499 . 0 0 "[ . 1 . 2]" 1
1654 1 77 HIS HA 1 77 HIS HD2 . . 3.390 2.640 2.494 2.945 . 0 0 "[ . 1 . 2]" 1
1655 1 77 HIS HA 1 80 ALA H . . 4.390 3.292 3.168 3.402 . 0 0 "[ . 1 . 2]" 1
1656 1 77 HIS HA 1 80 ALA MB . . 3.310 2.694 2.562 2.908 . 0 0 "[ . 1 . 2]" 1
1657 1 77 HIS HA 1 81 VAL QG . . 5.010 4.588 4.076 5.013 0.003 10 0 "[ . 1 . 2]" 1
1658 1 77 HIS HB2 1 78 TYR H . . 4.780 2.737 2.646 2.814 . 0 0 "[ . 1 . 2]" 1
1659 1 77 HIS HB2 1 81 VAL H . . 5.500 5.551 5.529 5.589 0.089 6 0 "[ . 1 . 2]" 1
1660 1 77 HIS HB2 1 81 VAL QG . . 5.390 4.489 3.991 4.903 . 0 0 "[ . 1 . 2]" 1
1661 1 77 HIS HB3 1 78 TYR H . . 4.780 3.814 3.666 3.919 . 0 0 "[ . 1 . 2]" 1
1662 1 77 HIS HB3 1 80 ALA MB . . 4.770 3.955 3.832 4.038 . 0 0 "[ . 1 . 2]" 1
1663 1 77 HIS HD2 1 80 ALA MB . . 4.410 4.245 3.564 4.427 0.017 9 0 "[ . 1 . 2]" 1
1664 1 78 TYR H 1 78 TYR HB2 . . 3.740 2.370 2.259 2.496 . 0 0 "[ . 1 . 2]" 1
1665 1 78 TYR H 1 78 TYR HB3 . . 3.500 2.702 2.561 2.835 . 0 0 "[ . 1 . 2]" 1
1666 1 78 TYR H 1 78 TYR QD . . 4.690 4.158 4.094 4.197 . 0 0 "[ . 1 . 2]" 1
1667 1 78 TYR H 1 80 ALA MB . . 5.500 4.882 4.841 4.973 . 0 0 "[ . 1 . 2]" 1
1668 1 78 TYR HA 1 78 TYR QD . . 4.080 3.098 2.932 3.149 . 0 0 "[ . 1 . 2]" 1
1669 1 78 TYR HA 1 81 VAL HB . . 4.090 3.719 2.909 4.107 0.017 2 0 "[ . 1 . 2]" 1
1670 1 78 TYR HA 1 81 VAL MG1 . . 4.680 2.814 1.932 4.454 . 0 0 "[ . 1 . 2]" 1
1671 1 78 TYR HA 1 81 VAL QG . . 3.920 2.127 1.930 2.663 . 0 0 "[ . 1 . 2]" 1
1672 1 78 TYR HA 1 81 VAL MG2 . . 4.700 3.811 2.223 4.679 . 0 0 "[ . 1 . 2]" 1
1673 1 78 TYR HA 1 82 HIS H . . 4.660 3.935 3.809 4.132 . 0 0 "[ . 1 . 2]" 1
1674 1 78 TYR HB3 1 79 ASN H . . 3.610 2.693 2.515 2.749 . 0 0 "[ . 1 . 2]" 1
1675 1 78 TYR HB3 1 80 ALA H . . 5.500 4.985 4.896 5.026 . 0 0 "[ . 1 . 2]" 1
1676 1 78 TYR QD 1 79 ASN H . . 4.170 3.682 3.373 3.961 . 0 0 "[ . 1 . 2]" 1
1677 1 78 TYR QD 1 79 ASN HA . . 4.310 3.143 2.898 3.427 . 0 0 "[ . 1 . 2]" 1
1678 1 78 TYR QE 1 82 HIS QB . . 5.300 2.812 2.385 3.744 . 0 0 "[ . 1 . 2]" 1
1679 1 79 ASN H 1 79 ASN HB2 . . 3.340 2.191 2.121 2.269 . 0 0 "[ . 1 . 2]" 1
1680 1 79 ASN H 1 79 ASN HB3 . . 4.000 3.495 3.430 3.542 . 0 0 "[ . 1 . 2]" 1
1681 1 79 ASN H 1 79 ASN QD . . 4.510 3.186 2.741 3.780 . 0 0 "[ . 1 . 2]" 1
1682 1 79 ASN H 1 80 ALA H . . 3.640 2.612 2.502 2.716 . 0 0 "[ . 1 . 2]" 1
1683 1 79 ASN H 1 80 ALA MB . . 4.640 4.236 4.182 4.350 . 0 0 "[ . 1 . 2]" 1
1684 1 79 ASN H 1 81 VAL H . . 4.790 4.382 4.253 4.453 . 0 0 "[ . 1 . 2]" 1
1685 1 79 ASN HA 1 82 HIS HB2 . . 4.260 3.852 3.599 4.264 0.004 6 0 "[ . 1 . 2]" 1
1686 1 79 ASN HA 1 82 HIS HB3 . . 4.260 2.761 2.451 3.091 . 0 0 "[ . 1 . 2]" 1
1687 1 79 ASN HB2 1 79 ASN QD . . 3.270 2.122 2.095 2.254 . 0 0 "[ . 1 . 2]" 1
1688 1 79 ASN HB2 1 79 ASN HD22 . . 3.980 3.444 3.433 3.499 . 0 0 "[ . 1 . 2]" 1
1689 1 79 ASN HB2 1 80 ALA H . . 3.840 2.970 2.889 3.073 . 0 0 "[ . 1 . 2]" 1
1690 1 79 ASN HB2 1 80 ALA MB . . 4.690 4.289 4.183 4.421 . 0 0 "[ . 1 . 2]" 1
1691 1 79 ASN HB3 1 80 ALA H . . 4.370 3.454 3.339 3.574 . 0 0 "[ . 1 . 2]" 1
1692 1 79 ASN HB3 1 80 ALA MB . . 5.500 4.490 4.360 4.629 . 0 0 "[ . 1 . 2]" 1
1693 1 80 ALA H 1 80 ALA MB . . 3.070 2.108 2.039 2.230 . 0 0 "[ . 1 . 2]" 1
1694 1 80 ALA H 1 81 VAL H . . 3.590 2.654 2.557 2.705 . 0 0 "[ . 1 . 2]" 1
1695 1 80 ALA H 1 81 VAL HA . . 5.500 5.257 5.181 5.299 . 0 0 "[ . 1 . 2]" 1
1696 1 80 ALA H 1 81 VAL HB . . 5.230 5.029 4.890 5.126 . 0 0 "[ . 1 . 2]" 1
1697 1 80 ALA H 1 81 VAL QG . . 4.470 3.764 3.658 3.919 . 0 0 "[ . 1 . 2]" 1
1698 1 80 ALA MB 1 81 VAL H . . 3.410 2.476 2.283 2.656 . 0 0 "[ . 1 . 2]" 1
1699 1 80 ALA MB 1 81 VAL QG . . 3.830 3.503 2.923 3.773 . 0 0 "[ . 1 . 2]" 1
1700 1 81 VAL H 1 81 VAL HB . . 3.270 2.572 2.452 2.699 . 0 0 "[ . 1 . 2]" 1
1701 1 81 VAL H 1 81 VAL MG1 . . 3.830 2.680 2.028 3.755 . 0 0 "[ . 1 . 2]" 1
1702 1 81 VAL H 1 81 VAL QG . . 3.090 2.088 2.020 2.179 . 0 0 "[ . 1 . 2]" 1
1703 1 81 VAL H 1 81 VAL MG2 . . 3.840 3.176 2.084 3.765 . 0 0 "[ . 1 . 2]" 1
1704 1 81 VAL HA 1 81 VAL MG1 . . 3.220 2.891 2.206 3.204 . 0 0 "[ . 1 . 2]" 1
1705 1 81 VAL HA 1 81 VAL QG . . 2.840 2.189 2.042 2.325 . 0 0 "[ . 1 . 2]" 1
1706 1 81 VAL HA 1 81 VAL MG2 . . 3.240 2.327 2.176 2.415 . 0 0 "[ . 1 . 2]" 1
1707 1 81 VAL HA 1 84 ALA H . . 4.560 3.578 3.450 3.653 . 0 0 "[ . 1 . 2]" 1
1708 1 81 VAL HA 1 84 ALA MB . . 3.500 3.040 2.834 3.269 . 0 0 "[ . 1 . 2]" 1
1709 1 81 VAL HB 1 82 HIS H . . 3.890 3.384 2.348 3.936 0.046 19 0 "[ . 1 . 2]" 1
1710 1 81 VAL HB 1 82 HIS QB . . 5.340 4.930 3.925 5.486 0.146 10 0 "[ . 1 . 2]" 1
1711 1 81 VAL QG 1 82 HIS HA . . 5.070 3.195 2.922 3.650 . 0 0 "[ . 1 . 2]" 1
1712 1 81 VAL QG 1 82 HIS QB . . 4.830 3.319 2.833 4.167 . 0 0 "[ . 1 . 2]" 1
1713 1 81 VAL QG 1 84 ALA H . . 5.440 4.279 4.178 4.356 . 0 0 "[ . 1 . 2]" 1
1714 1 81 VAL QG 1 84 ALA MB . . 4.370 3.530 3.340 3.660 . 0 0 "[ . 1 . 2]" 1
1715 1 81 VAL QG 1 93 TRP HE1 . . 4.500 3.686 3.472 3.885 . 0 0 "[ . 1 . 2]" 1
1716 1 81 VAL QG 1 93 TRP HH2 . . 5.440 3.278 2.848 3.643 . 0 0 "[ . 1 . 2]" 1
1717 1 81 VAL QG 1 93 TRP HZ2 . . 4.500 2.445 1.944 2.715 . 0 0 "[ . 1 . 2]" 1
1718 1 81 VAL MG1 1 82 HIS H . . 4.220 2.588 2.084 3.570 . 0 0 "[ . 1 . 2]" 1
1719 1 81 VAL MG1 1 82 HIS HB2 . . 5.500 3.637 2.945 4.829 . 0 0 "[ . 1 . 2]" 1
1720 1 81 VAL MG1 1 82 HIS HB3 . . 5.500 4.332 3.691 5.364 . 0 0 "[ . 1 . 2]" 1
1721 1 81 VAL MG1 1 93 TRP HE1 . . 5.460 4.920 3.733 5.497 0.037 12 0 "[ . 1 . 2]" 1
1722 1 81 VAL MG1 1 93 TRP HH2 . . 5.030 3.676 2.937 4.315 . 0 0 "[ . 1 . 2]" 1
1723 1 81 VAL MG1 1 93 TRP HZ2 . . 4.580 3.213 2.317 3.803 . 0 0 "[ . 1 . 2]" 1
1724 1 81 VAL MG2 1 82 HIS H . . 4.230 3.683 3.611 3.786 . 0 0 "[ . 1 . 2]" 1
1725 1 81 VAL MG2 1 82 HIS HB2 . . 5.500 5.044 4.667 5.503 0.003 3 0 "[ . 1 . 2]" 1
1726 1 81 VAL MG2 1 82 HIS HB3 . . 5.500 5.524 5.506 5.549 0.049 3 0 "[ . 1 . 2]" 1
1727 1 81 VAL MG2 1 93 TRP HE1 . . 5.500 4.296 3.511 5.512 0.012 6 0 "[ . 1 . 2]" 1
1728 1 81 VAL MG2 1 93 TRP HZ2 . . 4.580 3.167 1.954 4.474 . 0 0 "[ . 1 . 2]" 1
1729 1 82 HIS H 1 82 HIS HB2 . . 3.730 2.610 2.435 2.703 . 0 0 "[ . 1 . 2]" 1
1730 1 82 HIS H 1 82 HIS QB . . 3.240 2.248 2.235 2.263 . 0 0 "[ . 1 . 2]" 1
1731 1 82 HIS H 1 82 HIS HB3 . . 3.730 2.468 2.390 2.654 . 0 0 "[ . 1 . 2]" 1
1732 1 82 HIS HA 1 85 ALA H . . 3.880 3.470 3.350 3.662 . 0 0 "[ . 1 . 2]" 1
1733 1 82 HIS HA 1 85 ALA MB . . 3.360 2.640 2.470 2.798 . 0 0 "[ . 1 . 2]" 1
1734 1 82 HIS HA 1 86 LYS H . . 4.770 4.005 3.663 4.315 . 0 0 "[ . 1 . 2]" 1
1735 1 82 HIS QB 1 85 ALA MB . . 4.760 4.313 4.227 4.423 . 0 0 "[ . 1 . 2]" 1
1736 1 82 HIS HB2 1 83 SER H . . 4.100 3.999 3.844 4.075 . 0 0 "[ . 1 . 2]" 1
1737 1 82 HIS HB2 1 85 ALA MB . . 5.500 4.639 4.507 4.783 . 0 0 "[ . 1 . 2]" 1
1738 1 82 HIS HB3 1 83 SER H . . 4.100 2.775 2.706 2.862 . 0 0 "[ . 1 . 2]" 1
1739 1 82 HIS HB3 1 85 ALA MB . . 5.500 5.133 4.955 5.292 . 0 0 "[ . 1 . 2]" 1
1740 1 83 SER H 1 83 SER QB . . 3.330 2.186 2.056 2.262 . 0 0 "[ . 1 . 2]" 1
1741 1 83 SER H 1 84 ALA MB . . 4.740 4.354 4.268 4.413 . 0 0 "[ . 1 . 2]" 1
1742 1 83 SER QB 1 84 ALA H . . 3.300 2.617 2.457 2.750 . 0 0 "[ . 1 . 2]" 1
1743 1 83 SER QB 1 84 ALA MB . . 3.910 3.790 3.647 3.893 . 0 0 "[ . 1 . 2]" 1
1744 1 84 ALA H 1 84 ALA MB . . 3.030 2.172 2.065 2.223 . 0 0 "[ . 1 . 2]" 1
1745 1 84 ALA H 1 88 MET ME . . 5.170 4.577 4.459 4.771 . 0 0 "[ . 1 . 2]" 1
1746 1 84 ALA HA 1 88 MET ME . . 4.940 3.388 3.137 3.793 . 0 0 "[ . 1 . 2]" 1
1747 1 84 ALA MB 1 87 THR H . . 4.630 4.532 4.452 4.635 0.005 7 0 "[ . 1 . 2]" 1
1748 1 84 ALA MB 1 88 MET ME . . 3.480 1.930 1.874 2.220 . 0 0 "[ . 1 . 2]" 1
1749 1 85 ALA H 1 85 ALA MB . . 2.960 2.203 2.167 2.234 . 0 0 "[ . 1 . 2]" 1
1750 1 85 ALA H 1 88 MET HG3 . . 5.500 5.541 5.527 5.563 0.063 1 0 "[ . 1 . 2]" 1
1751 1 85 ALA HA 1 87 THR H . . 5.330 4.346 4.205 4.572 . 0 0 "[ . 1 . 2]" 1
1752 1 85 ALA HA 1 88 MET H . . 4.530 3.396 3.303 3.517 . 0 0 "[ . 1 . 2]" 1
1753 1 85 ALA HA 1 88 MET HB2 . . 5.220 2.661 2.427 2.758 . 0 0 "[ . 1 . 2]" 1
1754 1 85 ALA HA 1 88 MET QB . . 4.480 2.637 2.406 2.731 . 0 0 "[ . 1 . 2]" 1
1755 1 85 ALA HA 1 88 MET HB3 . . 5.180 4.303 3.972 4.411 . 0 0 "[ . 1 . 2]" 1
1756 1 85 ALA HA 1 88 MET ME . . 3.700 2.301 2.103 3.063 . 0 0 "[ . 1 . 2]" 1
1757 1 85 ALA HA 1 90 ILE MD . . 4.630 3.758 3.349 4.182 . 0 0 "[ . 1 . 2]" 1
1758 1 85 ALA HA 1 90 ILE HG13 . . 5.500 4.270 3.960 4.791 . 0 0 "[ . 1 . 2]" 1
1759 1 85 ALA HA 1 93 TRP HE3 . . 5.500 5.425 4.942 5.510 0.010 1 0 "[ . 1 . 2]" 1
1760 1 85 ALA MB 1 86 LYS H . . 3.360 2.654 2.582 2.675 . 0 0 "[ . 1 . 2]" 1
1761 1 85 ALA MB 1 86 LYS HB2 . . 4.360 4.088 4.003 4.324 . 0 0 "[ . 1 . 2]" 1
1762 1 85 ALA MB 1 89 GLY H . . 5.350 4.570 4.516 4.649 . 0 0 "[ . 1 . 2]" 1
1763 1 85 ALA MB 1 93 TRP HE1 . . 5.500 5.556 5.539 5.582 0.082 1 0 "[ . 1 . 2]" 1
1764 1 85 ALA MB 1 93 TRP HE3 . . 4.200 3.682 3.201 3.847 . 0 0 "[ . 1 . 2]" 1
1765 1 86 LYS H 1 86 LYS HB2 . . 3.220 2.265 2.062 2.543 . 0 0 "[ . 1 . 2]" 1
1766 1 86 LYS H 1 86 LYS HB3 . . 3.430 2.901 2.505 3.433 0.003 3 0 "[ . 1 . 2]" 1
1767 1 86 LYS H 1 86 LYS HG2 . . 5.020 4.196 3.118 4.643 . 0 0 "[ . 1 . 2]" 1
1768 1 86 LYS H 1 86 LYS QG . . 4.390 3.735 3.022 4.034 . 0 0 "[ . 1 . 2]" 1
1769 1 86 LYS H 1 86 LYS HG3 . . 5.020 4.238 3.712 4.559 . 0 0 "[ . 1 . 2]" 1
1770 1 86 LYS H 1 87 THR H . . 3.530 2.642 2.594 2.708 . 0 0 "[ . 1 . 2]" 1
1771 1 86 LYS HA 1 86 LYS HG2 . . 3.950 2.720 2.025 3.773 . 0 0 "[ . 1 . 2]" 1
1772 1 86 LYS HA 1 86 LYS QG . . 3.460 2.275 2.006 2.577 . 0 0 "[ . 1 . 2]" 1
1773 1 86 LYS HA 1 86 LYS HG3 . . 3.950 2.972 2.333 3.604 . 0 0 "[ . 1 . 2]" 1
1774 1 86 LYS HA 1 89 GLY H . . 3.560 3.428 3.314 3.563 0.003 1 0 "[ . 1 . 2]" 1
1775 1 86 LYS HB3 1 87 THR H . . 3.650 2.765 2.470 3.035 . 0 0 "[ . 1 . 2]" 1
1776 1 86 LYS HB3 1 87 THR HB . . 5.500 5.289 5.114 5.504 0.004 3 0 "[ . 1 . 2]" 1
1777 1 87 THR H 1 87 THR HB . . 3.050 2.786 2.608 2.920 . 0 0 "[ . 1 . 2]" 1
1778 1 87 THR H 1 87 THR MG . . 4.790 3.738 3.692 3.777 . 0 0 "[ . 1 . 2]" 1
1779 1 87 THR H 1 88 MET H . . 3.780 2.551 2.496 2.644 . 0 0 "[ . 1 . 2]" 1
1780 1 87 THR H 1 88 MET ME . . 5.500 4.512 4.370 4.690 . 0 0 "[ . 1 . 2]" 1
1781 1 87 THR H 1 88 MET HG3 . . 5.500 4.587 4.492 4.790 . 0 0 "[ . 1 . 2]" 1
1782 1 87 THR H 1 89 GLY H . . 4.850 3.810 3.726 3.872 . 0 0 "[ . 1 . 2]" 1
1783 1 87 THR HA 1 87 THR HB . . 3.010 3.004 2.977 3.023 0.013 5 0 "[ . 1 . 2]" 1
1784 1 87 THR HA 1 87 THR MG . . 3.140 2.262 2.083 2.393 . 0 0 "[ . 1 . 2]" 1
1785 1 87 THR HB 1 88 MET H . . 3.840 2.743 2.650 2.780 . 0 0 "[ . 1 . 2]" 1
1786 1 87 THR HB 1 88 MET HG2 . . 4.970 4.532 4.414 4.742 . 0 0 "[ . 1 . 2]" 1
1787 1 87 THR HB 1 88 MET HG3 . . 4.790 3.228 3.176 3.527 . 0 0 "[ . 1 . 2]" 1
1788 1 87 THR MG 1 88 MET H . . 3.950 3.886 3.725 3.964 0.014 19 0 "[ . 1 . 2]" 1
1789 1 88 MET H 1 88 MET QB . . 3.550 2.314 2.219 2.331 . 0 0 "[ . 1 . 2]" 1
1790 1 88 MET H 1 88 MET ME . . 4.890 3.407 3.297 3.569 . 0 0 "[ . 1 . 2]" 1
1791 1 88 MET H 1 88 MET HG3 . . 3.860 2.617 2.536 2.818 . 0 0 "[ . 1 . 2]" 1
1792 1 88 MET H 1 89 GLY H . . 3.520 2.397 2.354 2.459 . 0 0 "[ . 1 . 2]" 1
1793 1 88 MET H 1 89 GLY QA . . 5.180 4.320 4.284 4.370 . 0 0 "[ . 1 . 2]" 1
1794 1 88 MET H 1 90 ILE HG13 . . 5.500 4.639 4.449 5.010 . 0 0 "[ . 1 . 2]" 1
1795 1 88 MET HA 1 88 MET HG2 . . 3.020 2.510 2.384 2.548 . 0 0 "[ . 1 . 2]" 1
1796 1 88 MET HA 1 88 MET HG3 . . 3.910 2.914 2.876 2.954 . 0 0 "[ . 1 . 2]" 1
1797 1 88 MET QB 1 88 MET ME . . 3.800 2.536 2.302 2.902 . 0 0 "[ . 1 . 2]" 1
1798 1 88 MET QB 1 89 GLY H . . 3.950 2.994 2.990 3.009 . 0 0 "[ . 1 . 2]" 1
1799 1 88 MET QB 1 89 GLY QA . . 4.440 4.092 4.087 4.094 . 0 0 "[ . 1 . 2]" 1
1800 1 88 MET QB 1 90 ILE H . . 3.960 2.900 2.877 2.931 . 0 0 "[ . 1 . 2]" 1
1801 1 88 MET QB 1 90 ILE HB . . 4.670 3.449 3.325 3.546 . 0 0 "[ . 1 . 2]" 1
1802 1 88 MET QB 1 90 ILE MD . . 3.460 2.121 1.908 2.293 . 0 0 "[ . 1 . 2]" 1
1803 1 88 MET QB 1 90 ILE HG12 . . 4.780 3.378 3.173 3.733 . 0 0 "[ . 1 . 2]" 1
1804 1 88 MET QB 1 90 ILE HG13 . . 4.060 2.092 1.954 2.396 . 0 0 "[ . 1 . 2]" 1
1805 1 88 MET HB2 1 89 GLY HA2 . . 5.500 5.067 5.043 5.154 . 0 0 "[ . 1 . 2]" 1
1806 1 88 MET HB2 1 89 GLY HA3 . . 5.500 5.134 5.105 5.254 . 0 0 "[ . 1 . 2]" 1
1807 1 88 MET HB2 1 90 ILE HB . . 5.340 3.691 3.558 3.814 . 0 0 "[ . 1 . 2]" 1
1808 1 88 MET HB2 1 90 ILE HG12 . . 5.500 4.367 4.129 4.741 . 0 0 "[ . 1 . 2]" 1
1809 1 88 MET HB2 1 90 ILE HG13 . . 5.500 2.697 2.444 3.137 . 0 0 "[ . 1 . 2]" 1
1810 1 88 MET HB3 1 89 GLY HA2 . . 5.500 5.511 5.372 5.536 0.036 5 0 "[ . 1 . 2]" 1
1811 1 88 MET HB3 1 89 GLY HA3 . . 5.500 5.007 4.926 5.033 . 0 0 "[ . 1 . 2]" 1
1812 1 88 MET HB3 1 90 ILE HB . . 5.340 4.151 3.745 4.350 . 0 0 "[ . 1 . 2]" 1
1813 1 88 MET HB3 1 90 ILE HG12 . . 5.500 3.518 3.297 3.911 . 0 0 "[ . 1 . 2]" 1
1814 1 88 MET HB3 1 90 ILE HG13 . . 5.500 2.183 2.000 2.486 . 0 0 "[ . 1 . 2]" 1
1815 1 88 MET ME 1 88 MET HG3 . . 3.400 2.241 2.124 2.354 . 0 0 "[ . 1 . 2]" 1
1816 1 88 MET ME 1 90 ILE MD . . 3.310 3.137 2.696 3.320 0.010 11 0 "[ . 1 . 2]" 1
1817 1 88 MET HG3 1 89 GLY H . . 5.310 4.615 4.581 4.795 . 0 0 "[ . 1 . 2]" 1
1818 1 89 GLY H 1 90 ILE HB . . 5.500 4.901 4.786 5.013 . 0 0 "[ . 1 . 2]" 1
1819 1 89 GLY H 1 90 ILE HG13 . . 5.500 3.937 3.825 4.162 . 0 0 "[ . 1 . 2]" 1
1820 1 89 GLY QA 1 90 ILE HG12 . . 5.340 4.931 4.613 5.307 . 0 0 "[ . 1 . 2]" 1
1821 1 89 GLY QA 1 90 ILE HG13 . . 4.720 4.071 3.940 4.142 . 0 0 "[ . 1 . 2]" 1
1822 1 90 ILE H 1 90 ILE HB . . 3.400 2.599 2.510 2.698 . 0 0 "[ . 1 . 2]" 1
1823 1 90 ILE H 1 90 ILE MD . . 4.330 3.670 3.406 3.805 . 0 0 "[ . 1 . 2]" 1
1824 1 90 ILE H 1 90 ILE HG12 . . 5.380 3.643 3.475 3.942 . 0 0 "[ . 1 . 2]" 1
1825 1 90 ILE H 1 90 ILE QG . . 4.310 2.335 2.224 2.517 . 0 0 "[ . 1 . 2]" 1
1826 1 90 ILE H 1 90 ILE HG13 . . 4.590 2.364 2.249 2.548 . 0 0 "[ . 1 . 2]" 1
1827 1 90 ILE H 1 90 ILE MG . . 3.990 3.820 3.791 3.862 . 0 0 "[ . 1 . 2]" 1
1828 1 90 ILE H 1 91 ASP HA . . 5.300 5.162 5.056 5.214 . 0 0 "[ . 1 . 2]" 1
1829 1 90 ILE HA 1 90 ILE HG12 . . 3.990 2.646 2.581 2.763 . 0 0 "[ . 1 . 2]" 1
1830 1 90 ILE HA 1 90 ILE HG13 . . 3.920 3.034 2.750 3.175 . 0 0 "[ . 1 . 2]" 1
1831 1 90 ILE HA 1 90 ILE MG . . 3.240 2.262 2.211 2.321 . 0 0 "[ . 1 . 2]" 1
1832 1 90 ILE HA 1 91 ASP H . . 3.230 2.230 2.138 2.283 . 0 0 "[ . 1 . 2]" 1
1833 1 90 ILE HA 1 91 ASP HA . . 4.430 4.395 4.369 4.450 0.020 1 0 "[ . 1 . 2]" 1
1834 1 90 ILE HA 1 91 ASP QB . . 4.830 4.181 3.925 4.487 . 0 0 "[ . 1 . 2]" 1
1835 1 90 ILE HA 1 93 TRP HE3 . . 5.500 5.010 4.815 5.275 . 0 0 "[ . 1 . 2]" 1
1836 1 90 ILE HB 1 90 ILE MD . . 3.670 2.366 2.287 2.432 . 0 0 "[ . 1 . 2]" 1
1837 1 90 ILE HB 1 91 ASP H . . 4.870 3.872 3.689 4.184 . 0 0 "[ . 1 . 2]" 1
1838 1 90 ILE HB 1 93 TRP H . . 5.500 5.344 4.697 5.508 0.008 12 0 "[ . 1 . 2]" 1
1839 1 90 ILE MD 1 93 TRP HB2 . . 5.500 3.682 3.558 4.091 . 0 0 "[ . 1 . 2]" 1
1840 1 90 ILE MD 1 93 TRP QB . . 4.840 2.931 2.642 3.244 . 0 0 "[ . 1 . 2]" 1
1841 1 90 ILE MD 1 93 TRP HB3 . . 5.500 3.081 2.723 3.402 . 0 0 "[ . 1 . 2]" 1
1842 1 90 ILE QG 1 91 ASP H . . 5.130 4.099 3.999 4.349 . 0 0 "[ . 1 . 2]" 1
1843 1 90 ILE QG 1 93 TRP HE3 . . 5.340 5.074 4.856 5.356 0.016 12 0 "[ . 1 . 2]" 1
1844 1 90 ILE HG12 1 91 ASP H . . 5.270 4.367 4.247 4.676 . 0 0 "[ . 1 . 2]" 1
1845 1 90 ILE MG 1 91 ASP H . . 3.570 2.073 1.921 2.856 . 0 0 "[ . 1 . 2]" 1
1846 1 90 ILE MG 1 91 ASP HA . . 4.140 3.808 3.525 4.145 0.005 12 0 "[ . 1 . 2]" 1
1847 1 90 ILE MG 1 91 ASP QB . . 4.720 3.928 3.782 4.337 . 0 0 "[ . 1 . 2]" 1
1848 1 90 ILE MG 1 92 THR H . . 3.420 2.779 2.066 3.206 . 0 0 "[ . 1 . 2]" 1
1849 1 90 ILE MG 1 93 TRP H . . 4.110 3.232 2.604 3.602 . 0 0 "[ . 1 . 2]" 1
1850 1 90 ILE MG 1 93 TRP HA . . 4.850 3.255 3.008 3.437 . 0 0 "[ . 1 . 2]" 1
1851 1 90 ILE MG 1 93 TRP HB2 . . 4.180 3.234 2.911 3.453 . 0 0 "[ . 1 . 2]" 1
1852 1 90 ILE MG 1 93 TRP QB . . 3.490 1.907 1.859 2.037 . 0 0 "[ . 1 . 2]" 1
1853 1 90 ILE MG 1 93 TRP HB3 . . 4.010 1.921 1.878 2.057 . 0 0 "[ . 1 . 2]" 1
1854 1 90 ILE MG 1 93 TRP HD1 . . 5.500 5.124 4.975 5.337 . 0 0 "[ . 1 . 2]" 1
1855 1 90 ILE MG 1 93 TRP HE3 . . 3.900 2.128 1.969 2.694 . 0 0 "[ . 1 . 2]" 1
1856 1 91 ASP H 1 91 ASP QB . . 3.390 2.441 2.280 2.925 . 0 0 "[ . 1 . 2]" 1
1857 1 91 ASP HA 1 93 TRP H . . 5.460 5.205 3.972 5.470 0.010 13 0 "[ . 1 . 2]" 1
1858 1 91 ASP HA 1 93 TRP HE3 . . 5.110 3.845 2.985 4.343 . 0 0 "[ . 1 . 2]" 1
1859 1 91 ASP QB 1 92 THR H . . 3.840 2.539 2.128 3.833 . 0 0 "[ . 1 . 2]" 1
1860 1 91 ASP QB 1 92 THR HB . . 5.500 4.296 3.628 5.384 . 0 0 "[ . 1 . 2]" 1
1861 1 91 ASP QB 1 92 THR MG . . 5.300 3.440 2.509 4.909 . 0 0 "[ . 1 . 2]" 1
1862 1 91 ASP QB 1 93 TRP H . . 5.500 5.433 5.157 5.508 0.008 15 0 "[ . 1 . 2]" 1
1863 1 92 THR H 1 92 THR HB . . 3.830 3.269 2.573 3.787 . 0 0 "[ . 1 . 2]" 1
1864 1 92 THR H 1 92 THR MG . . 4.680 2.820 1.900 4.051 . 0 0 "[ . 1 . 2]" 1
1865 1 92 THR H 1 93 TRP H . . 4.550 3.787 2.072 4.165 . 0 0 "[ . 1 . 2]" 1
1866 1 92 THR HA 1 92 THR MG . . 3.390 2.637 2.025 3.182 . 0 0 "[ . 1 . 2]" 1
1867 1 92 THR HA 1 93 TRP H . . 3.010 2.281 2.171 2.882 . 0 0 "[ . 1 . 2]" 1
1868 1 92 THR HB 1 93 TRP H . . 4.480 4.244 3.797 4.490 0.010 15 0 "[ . 1 . 2]" 1
1869 1 92 THR MG 1 93 TRP H . . 4.950 4.023 3.196 4.345 . 0 0 "[ . 1 . 2]" 1
1870 1 93 TRP H 1 93 TRP QB . . 3.630 2.757 2.441 2.858 . 0 0 "[ . 1 . 2]" 1
1871 1 93 TRP H 1 93 TRP HB3 . . 3.980 2.842 2.482 2.955 . 0 0 "[ . 1 . 2]" 1
1872 1 93 TRP H 1 93 TRP HD1 . . 5.500 4.563 4.424 4.859 . 0 0 "[ . 1 . 2]" 1
1873 1 93 TRP HA 1 93 TRP HD1 . . 5.020 4.365 4.261 4.478 . 0 0 "[ . 1 . 2]" 1
1874 1 93 TRP HA 1 93 TRP HE3 . . 5.360 4.337 4.190 4.475 . 0 0 "[ . 1 . 2]" 1
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