NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445382 |
2kjr   |
16338 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjr
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 1352
_Distance_constraint_stats_list.Viol_count 643
_Distance_constraint_stats_list.Viol_total 677.457
_Distance_constraint_stats_list.Viol_max 0.397
_Distance_constraint_stats_list.Viol_rms 0.0117
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0527
_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 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 SER 0.494 0.093 19 0 "[ . 1 . 2]"
1 14 ASP 0.170 0.104 18 0 "[ . 1 . 2]"
1 15 PHE 2.628 0.200 6 0 "[ . 1 . 2]"
1 16 ILE 1.841 0.245 19 0 "[ . 1 . 2]"
1 17 LYS 2.221 0.203 11 0 "[ . 1 . 2]"
1 18 VAL 0.146 0.055 16 0 "[ . 1 . 2]"
1 19 ASN 0.308 0.078 2 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.095 0.049 17 0 "[ . 1 . 2]"
1 22 ASN 0.525 0.139 16 0 "[ . 1 . 2]"
1 23 SER 0.015 0.014 20 0 "[ . 1 . 2]"
1 24 HIS 0.279 0.067 11 0 "[ . 1 . 2]"
1 25 ASN 0.534 0.362 11 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.786 0.362 11 0 "[ . 1 . 2]"
1 28 VAL 0.166 0.069 20 0 "[ . 1 . 2]"
1 29 ALA 0.268 0.075 13 0 "[ . 1 . 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.855 0.192 16 0 "[ . 1 . 2]"
1 32 VAL 3.127 0.397 2 0 "[ . 1 . 2]"
1 33 LYS 1.974 0.149 6 0 "[ . 1 . 2]"
1 34 LEU 0.342 0.092 6 0 "[ . 1 . 2]"
1 35 ALA 0.715 0.200 6 0 "[ . 1 . 2]"
1 36 LYS 2.778 0.245 19 0 "[ . 1 . 2]"
1 37 ASP 0.860 0.094 14 0 "[ . 1 . 2]"
1 38 LEU 1.228 0.120 7 0 "[ . 1 . 2]"
1 39 THR 1.437 0.120 7 0 "[ . 1 . 2]"
1 40 VAL 0.096 0.039 2 0 "[ . 1 . 2]"
1 41 ALA 0.707 0.076 15 0 "[ . 1 . 2]"
1 42 GLN 0.537 0.097 3 0 "[ . 1 . 2]"
1 43 LEU 0.589 0.082 15 0 "[ . 1 . 2]"
1 44 LYS 0.018 0.011 16 0 "[ . 1 . 2]"
1 45 THR 1.318 0.182 4 0 "[ . 1 . 2]"
1 46 LYS 1.473 0.154 16 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.711 0.129 15 0 "[ . 1 . 2]"
1 49 ILE 0.379 0.154 16 0 "[ . 1 . 2]"
1 50 LEU 0.268 0.075 13 0 "[ . 1 . 2]"
1 51 THR 1.233 0.133 3 0 "[ . 1 . 2]"
1 52 GLY 0.133 0.072 7 0 "[ . 1 . 2]"
1 53 GLY 0.497 0.109 16 0 "[ . 1 . 2]"
1 54 CYS 1.208 0.129 15 0 "[ . 1 . 2]"
1 55 ALA 1.745 0.320 19 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 1.098 0.187 2 0 "[ . 1 . 2]"
1 58 MET 4.589 0.320 19 0 "[ . 1 . 2]"
1 59 LYS 1.196 0.133 4 0 "[ . 1 . 2]"
1 60 VAL 0.401 0.281 16 0 "[ . 1 . 2]"
1 61 GLN 0.540 0.061 18 0 "[ . 1 . 2]"
1 62 VAL 1.257 0.116 15 0 "[ . 1 . 2]"
1 63 PHE 1.692 0.153 7 0 "[ . 1 . 2]"
1 64 LYS 0.836 0.158 9 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 THR 1.719 0.153 7 0 "[ . 1 . 2]"
1 68 CYS 0.190 0.105 15 0 "[ . 1 . 2]"
1 69 VAL 0.723 0.158 9 0 "[ . 1 . 2]"
1 70 SER 1.104 0.116 15 0 "[ . 1 . 2]"
1 71 THR 0.761 0.121 16 0 "[ . 1 . 2]"
1 72 MET 0.449 0.044 17 0 "[ . 1 . 2]"
1 73 ASP 0.157 0.121 16 0 "[ . 1 . 2]"
1 74 ASN 0.051 0.036 16 0 "[ . 1 . 2]"
1 75 ASN 0.707 0.076 15 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.681 0.092 3 0 "[ . 1 . 2]"
1 78 GLN 0.433 0.064 4 0 "[ . 1 . 2]"
1 79 LEU 0.215 0.043 11 0 "[ . 1 . 2]"
1 80 GLY 0.119 0.055 17 0 "[ . 1 . 2]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.448 0.044 17 0 "[ . 1 . 2]"
1 83 ALA 0.432 0.083 2 0 "[ . 1 . 2]"
1 84 ASN 0.533 0.083 2 0 "[ . 1 . 2]"
1 85 SER 0.135 0.035 13 0 "[ . 1 . 2]"
1 86 ASP 0.130 0.060 2 0 "[ . 1 . 2]"
1 87 GLY 0.084 0.051 16 0 "[ . 1 . 2]"
1 88 LEU 0.135 0.035 13 0 "[ . 1 . 2]"
1 89 ARG 1.214 0.272 7 0 "[ . 1 . 2]"
1 90 LEU 0.962 0.272 7 0 "[ . 1 . 2]"
1 91 HIS 0.134 0.058 13 0 "[ . 1 . 2]"
1 92 VAL 1.613 0.133 3 0 "[ . 1 . 2]"
1 93 VAL 1.930 0.133 4 0 "[ . 1 . 2]"
1 94 ASP 0.229 0.061 12 0 "[ . 1 . 2]"
1 95 SER 0.214 0.067 11 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 12 LYS HA 1 12 LYS QD 1.800 . 4.740 3.787 2.156 4.452 . 0 0 "[ . 1 . 2]" 1
2 1 13 SER HA 1 15 PHE H 1.800 . 5.560 4.069 2.950 5.653 0.093 19 0 "[ . 1 . 2]" 1
3 1 13 SER QB 1 15 PHE QE 1.800 . 5.090 4.695 2.382 5.165 0.075 9 0 "[ . 1 . 2]" 1
4 1 13 SER QB 1 15 PHE H 1.800 . 4.480 3.724 2.200 4.465 . 0 0 "[ . 1 . 2]" 1
5 1 14 ASP HA 1 15 PHE QD 1.800 . 5.730 4.626 3.839 5.296 . 0 0 "[ . 1 . 2]" 1
6 1 14 ASP HA 1 15 PHE H 1.800 . 3.220 2.803 2.221 3.324 0.104 18 0 "[ . 1 . 2]" 1
7 1 14 ASP HA 1 35 ALA HA 1.800 . 6.050 5.407 4.880 5.745 . 0 0 "[ . 1 . 2]" 1
8 1 14 ASP QB 1 15 PHE QD 1.800 . 5.160 4.151 3.401 4.868 . 0 0 "[ . 1 . 2]" 1
9 1 14 ASP QB 1 15 PHE H 1.800 . 4.530 3.796 3.286 4.053 . 0 0 "[ . 1 . 2]" 1
10 1 15 PHE HA 1 15 PHE QD 1.800 . 4.650 2.823 2.358 3.205 . 0 0 "[ . 1 . 2]" 1
11 1 15 PHE HA 1 16 ILE MG 1.800 . 4.840 3.522 3.439 3.656 . 0 0 "[ . 1 . 2]" 1
12 1 15 PHE HA 1 16 ILE H 1.800 . 3.320 2.258 2.014 2.383 . 0 0 "[ . 1 . 2]" 1
13 1 15 PHE HA 1 35 ALA HA 1.800 . 3.590 2.600 2.312 2.908 . 0 0 "[ . 1 . 2]" 1
14 1 15 PHE HA 1 35 ALA MB 1.800 . 4.170 4.143 3.831 4.370 0.200 6 0 "[ . 1 . 2]" 1
15 1 15 PHE HA 1 36 LYS QD 1.800 . 5.220 4.795 3.470 5.264 0.044 8 0 "[ . 1 . 2]" 1
16 1 15 PHE HA 1 36 LYS H 1.800 . 3.730 3.409 3.047 3.736 0.006 19 0 "[ . 1 . 2]" 1
17 1 15 PHE QB 1 16 ILE HA 1.800 . 5.190 4.134 4.074 4.220 . 0 0 "[ . 1 . 2]" 1
18 1 15 PHE QB 1 16 ILE MG 1.800 . 4.960 4.372 4.291 4.451 . 0 0 "[ . 1 . 2]" 1
19 1 15 PHE QB 1 16 ILE H 1.800 . 3.690 2.848 2.619 3.097 . 0 0 "[ . 1 . 2]" 1
20 1 15 PHE QB 1 33 LYS QB 1.800 . 4.650 3.048 2.252 4.599 . 0 0 "[ . 1 . 2]" 1
21 1 15 PHE QB 1 33 LYS QD 1.800 . 4.700 3.441 2.791 4.628 . 0 0 "[ . 1 . 2]" 1
22 1 15 PHE QB 1 33 LYS HG3 1.800 . 4.790 3.777 2.311 4.814 0.024 19 0 "[ . 1 . 2]" 1
23 1 15 PHE QB 1 33 LYS HG2 1.800 . 4.790 3.548 2.630 4.926 0.136 1 0 "[ . 1 . 2]" 1
24 1 15 PHE QB 1 34 LEU HA 1.800 . 5.710 4.915 3.810 5.802 0.092 6 0 "[ . 1 . 2]" 1
25 1 15 PHE QB 1 34 LEU H 1.800 . 4.630 3.515 2.694 4.412 . 0 0 "[ . 1 . 2]" 1
26 1 15 PHE QB 1 35 ALA HA 1.800 . 4.530 4.066 3.380 4.507 . 0 0 "[ . 1 . 2]" 1
27 1 15 PHE QB 1 36 LYS H 1.800 . 5.900 5.287 4.736 5.651 . 0 0 "[ . 1 . 2]" 1
28 1 15 PHE QD 1 16 ILE H 1.800 . 4.850 3.959 3.424 4.471 . 0 0 "[ . 1 . 2]" 1
29 1 15 PHE QD 1 33 LYS QB 1.800 . 5.150 3.654 2.330 4.732 . 0 0 "[ . 1 . 2]" 1
30 1 15 PHE QD 1 33 LYS QD 1.800 . 5.410 4.128 3.483 5.289 . 0 0 "[ . 1 . 2]" 1
31 1 15 PHE QD 1 33 LYS QE 1.800 . 4.950 4.119 2.726 4.990 0.040 4 0 "[ . 1 . 2]" 1
32 1 15 PHE QD 1 33 LYS QG 1.800 . 4.740 3.684 2.303 4.828 0.088 5 0 "[ . 1 . 2]" 1
33 1 15 PHE QD 1 34 LEU H 1.800 . 5.570 3.758 3.188 4.623 . 0 0 "[ . 1 . 2]" 1
34 1 15 PHE QD 1 35 ALA HA 1.800 . 4.530 2.853 2.341 3.559 . 0 0 "[ . 1 . 2]" 1
35 1 15 PHE QD 1 35 ALA MB 1.800 . 4.890 3.236 2.348 3.808 . 0 0 "[ . 1 . 2]" 1
36 1 15 PHE QD 1 35 ALA H 1.800 . 5.120 3.312 2.784 3.896 . 0 0 "[ . 1 . 2]" 1
37 1 15 PHE QE 1 33 LYS QB 1.800 . 6.010 5.041 3.733 6.053 0.043 14 0 "[ . 1 . 2]" 1
38 1 15 PHE QE 1 33 LYS QD 1.800 . 6.050 5.136 4.599 6.074 0.024 2 0 "[ . 1 . 2]" 1
39 1 15 PHE QE 1 33 LYS QE 1.800 . 5.870 4.935 3.628 6.009 0.139 18 0 "[ . 1 . 2]" 1
40 1 15 PHE QE 1 35 ALA HA 1.800 . 5.810 3.660 3.180 4.193 . 0 0 "[ . 1 . 2]" 1
41 1 15 PHE QE 1 35 ALA MB 1.800 . 4.410 2.489 2.285 2.994 . 0 0 "[ . 1 . 2]" 1
42 1 15 PHE QE 1 35 ALA H 1.800 . 5.510 3.565 2.728 4.786 . 0 0 "[ . 1 . 2]" 1
43 1 15 PHE H 1 15 PHE QB 1.800 . 3.470 2.623 2.411 2.840 . 0 0 "[ . 1 . 2]" 1
44 1 15 PHE H 1 15 PHE QD 1.800 . 3.940 2.809 2.101 3.352 . 0 0 "[ . 1 . 2]" 1
45 1 15 PHE H 1 16 ILE H 1.800 . 4.980 4.464 4.307 4.535 . 0 0 "[ . 1 . 2]" 1
46 1 15 PHE H 1 35 ALA HA 1.800 . 5.560 4.930 4.617 5.068 . 0 0 "[ . 1 . 2]" 1
47 1 15 PHE H 1 35 ALA MB 1.800 . 6.000 5.695 5.289 5.876 . 0 0 "[ . 1 . 2]" 1
48 1 15 PHE HZ 1 35 ALA MB 1.800 . 4.890 3.576 2.577 4.892 0.002 9 0 "[ . 1 . 2]" 1
49 1 16 ILE HA 1 16 ILE MG 1.800 . 3.440 2.304 2.276 2.369 . 0 0 "[ . 1 . 2]" 1
50 1 16 ILE HA 1 17 LYS H 1.800 . 3.170 2.326 2.248 2.412 . 0 0 "[ . 1 . 2]" 1
51 1 16 ILE HA 1 86 ASP QB 1.800 . 4.410 3.942 3.238 4.470 0.060 2 0 "[ . 1 . 2]" 1
52 1 16 ILE HB 1 16 ILE MD 1.800 . 3.620 2.290 2.254 2.325 . 0 0 "[ . 1 . 2]" 1
53 1 16 ILE HB 1 17 LYS H 1.800 . 3.720 2.709 2.485 3.022 . 0 0 "[ . 1 . 2]" 1
54 1 16 ILE HB 1 86 ASP HA 1.800 . 4.530 3.130 2.944 3.436 . 0 0 "[ . 1 . 2]" 1
55 1 16 ILE MD 1 17 LYS H 1.800 . 5.440 4.420 4.183 4.719 . 0 0 "[ . 1 . 2]" 1
56 1 16 ILE MD 1 36 LYS HA 1.800 . 4.700 4.067 3.604 4.945 0.245 19 0 "[ . 1 . 2]" 1
57 1 16 ILE MD 1 36 LYS QE 1.800 . 5.910 3.985 2.033 5.392 . 0 0 "[ . 1 . 2]" 1
58 1 16 ILE MD 1 36 LYS QG 1.800 . 5.120 3.142 2.274 5.084 . 0 0 "[ . 1 . 2]" 1
59 1 16 ILE MD 1 36 LYS H 1.800 . 5.900 5.073 4.394 5.637 . 0 0 "[ . 1 . 2]" 1
60 1 16 ILE MD 1 80 GLY QA 1.800 . 6.050 3.723 3.315 4.442 . 0 0 "[ . 1 . 2]" 1
61 1 16 ILE MD 1 83 ALA HA 1.800 . 5.700 4.298 3.927 4.770 . 0 0 "[ . 1 . 2]" 1
62 1 16 ILE MD 1 83 ALA MB 1.800 . 3.630 2.394 2.030 2.954 . 0 0 "[ . 1 . 2]" 1
63 1 16 ILE MD 1 84 ASN HA 1.800 . 4.060 3.895 2.610 4.091 0.031 16 0 "[ . 1 . 2]" 1
64 1 16 ILE MD 1 84 ASN QB 1.800 . 5.870 5.263 4.202 5.466 . 0 0 "[ . 1 . 2]" 1
65 1 16 ILE MD 1 84 ASN H 1.800 . 5.030 4.671 2.508 5.074 0.044 11 0 "[ . 1 . 2]" 1
66 1 16 ILE MD 1 85 SER HA 1.800 . 5.390 4.852 4.210 5.397 0.007 16 0 "[ . 1 . 2]" 1
67 1 16 ILE MD 1 85 SER H 1.800 . 4.710 3.675 2.409 4.152 . 0 0 "[ . 1 . 2]" 1
68 1 16 ILE MD 1 86 ASP HA 1.800 . 5.370 3.551 2.303 4.038 . 0 0 "[ . 1 . 2]" 1
69 1 16 ILE MD 1 87 GLY H 1.800 . 5.530 5.146 4.078 5.581 0.051 16 0 "[ . 1 . 2]" 1
70 1 16 ILE MD 1 88 LEU QB 1.800 . 5.280 4.261 3.885 4.669 . 0 0 "[ . 1 . 2]" 1
71 1 16 ILE MD 1 88 LEU H 1.800 . 5.800 4.958 4.262 5.192 . 0 0 "[ . 1 . 2]" 1
72 1 16 ILE QG 1 35 ALA HA 1.800 . 5.950 4.667 4.297 5.125 . 0 0 "[ . 1 . 2]" 1
73 1 16 ILE QG 1 36 LYS HA 1.800 . 5.410 4.336 4.007 5.041 . 0 0 "[ . 1 . 2]" 1
74 1 16 ILE QG 1 36 LYS H 1.800 . 6.020 4.448 3.849 5.032 . 0 0 "[ . 1 . 2]" 1
75 1 16 ILE QG 1 86 ASP HA 1.800 . 5.240 4.644 3.988 5.019 . 0 0 "[ . 1 . 2]" 1
76 1 16 ILE HG13 1 17 LYS H 1.800 . 5.540 3.923 3.710 4.140 . 0 0 "[ . 1 . 2]" 1
77 1 16 ILE HG13 1 34 LEU H 1.800 . 5.250 3.671 3.352 4.098 . 0 0 "[ . 1 . 2]" 1
78 1 16 ILE HG12 1 17 LYS H 1.800 . 5.540 4.880 4.729 5.020 . 0 0 "[ . 1 . 2]" 1
79 1 16 ILE HG12 1 34 LEU H 1.800 . 5.250 3.873 3.371 4.703 . 0 0 "[ . 1 . 2]" 1
80 1 16 ILE HG13 1 16 ILE MG 1.800 . 3.890 3.195 3.190 3.204 . 0 0 "[ . 1 . 2]" 1
81 1 16 ILE HG12 1 16 ILE MG 1.800 . 3.890 2.293 2.248 2.356 . 0 0 "[ . 1 . 2]" 1
82 1 16 ILE MG 1 17 LYS H 1.800 . 4.350 3.787 3.687 3.909 . 0 0 "[ . 1 . 2]" 1
83 1 16 ILE MG 1 35 ALA HA 1.800 . 5.640 5.088 4.698 5.594 . 0 0 "[ . 1 . 2]" 1
84 1 16 ILE MG 1 36 LYS HA 1.800 . 5.480 4.787 4.156 5.553 0.073 19 0 "[ . 1 . 2]" 1
85 1 16 ILE MG 1 36 LYS QD 1.800 . 3.750 2.429 2.038 3.503 . 0 0 "[ . 1 . 2]" 1
86 1 16 ILE MG 1 36 LYS QE 1.800 . 3.670 3.047 1.882 3.761 0.091 9 0 "[ . 1 . 2]" 1
87 1 16 ILE MG 1 36 LYS QG 1.800 . 4.060 2.866 2.166 4.098 0.038 13 0 "[ . 1 . 2]" 1
88 1 16 ILE MG 1 36 LYS H 1.800 . 5.220 4.400 3.844 4.975 . 0 0 "[ . 1 . 2]" 1
89 1 16 ILE MG 1 80 GLY QA 1.800 . 6.050 4.689 3.965 5.609 . 0 0 "[ . 1 . 2]" 1
90 1 16 ILE MG 1 85 SER HA 1.800 . 4.840 4.390 3.916 4.844 0.004 20 0 "[ . 1 . 2]" 1
91 1 16 ILE MG 1 85 SER H 1.800 . 5.670 4.383 3.245 5.233 . 0 0 "[ . 1 . 2]" 1
92 1 16 ILE MG 1 86 ASP HA 1.800 . 5.050 4.179 3.863 4.491 . 0 0 "[ . 1 . 2]" 1
93 1 16 ILE H 1 16 ILE MD 1.800 . 4.650 3.867 3.800 3.952 . 0 0 "[ . 1 . 2]" 1
94 1 16 ILE H 1 16 ILE HG13 1.800 . 4.040 2.870 2.765 2.933 . 0 0 "[ . 1 . 2]" 1
95 1 16 ILE H 1 16 ILE HG12 1.800 . 4.040 2.200 2.109 2.314 . 0 0 "[ . 1 . 2]" 1
96 1 16 ILE H 1 16 ILE MG 1.800 . 3.770 2.890 2.816 2.981 . 0 0 "[ . 1 . 2]" 1
97 1 16 ILE H 1 17 LYS H 1.800 . 5.170 4.468 4.389 4.504 . 0 0 "[ . 1 . 2]" 1
98 1 16 ILE H 1 33 LYS HA 1.800 . 4.990 3.925 3.731 4.412 . 0 0 "[ . 1 . 2]" 1
99 1 16 ILE H 1 35 ALA HA 1.800 . 4.680 4.187 3.866 4.538 . 0 0 "[ . 1 . 2]" 1
100 1 16 ILE H 1 36 LYS QB 1.800 . 5.870 5.540 4.305 6.008 0.138 5 0 "[ . 1 . 2]" 1
101 1 16 ILE H 1 36 LYS QD 1.800 . 5.830 5.047 3.541 5.836 0.006 5 0 "[ . 1 . 2]" 1
102 1 16 ILE H 1 36 LYS QE 1.800 . 6.050 5.458 4.344 6.150 0.100 13 0 "[ . 1 . 2]" 1
103 1 16 ILE H 1 36 LYS QG 1.800 . 5.870 4.291 3.625 5.874 0.004 16 0 "[ . 1 . 2]" 1
104 1 16 ILE H 1 36 LYS H 1.800 . 5.280 4.753 4.356 5.219 . 0 0 "[ . 1 . 2]" 1
105 1 16 ILE H 1 79 LEU MD2 1.800 . 5.920 5.267 4.660 5.910 . 0 0 "[ . 1 . 2]" 1
106 1 17 LYS HA 1 17 LYS QD 1.800 . 4.710 3.915 2.272 4.252 . 0 0 "[ . 1 . 2]" 1
107 1 17 LYS HA 1 17 LYS QE 1.800 . 5.470 4.735 3.960 5.605 0.135 14 0 "[ . 1 . 2]" 1
108 1 17 LYS HA 1 17 LYS HG3 1.800 . 4.100 2.986 2.321 3.796 . 0 0 "[ . 1 . 2]" 1
109 1 17 LYS HA 1 17 LYS HG2 1.800 . 4.100 2.847 2.352 3.704 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS HA 1 18 VAL MG2 1.800 . 4.150 3.552 3.429 3.639 . 0 0 "[ . 1 . 2]" 1
111 1 17 LYS HA 1 18 VAL H 1.800 . 3.180 2.171 2.117 2.205 . 0 0 "[ . 1 . 2]" 1
112 1 17 LYS HA 1 32 VAL MG1 1.800 . 4.990 4.478 3.759 5.193 0.203 11 0 "[ . 1 . 2]" 1
113 1 17 LYS HA 1 32 VAL H 1.800 . 5.060 4.184 3.699 4.693 . 0 0 "[ . 1 . 2]" 1
114 1 17 LYS HA 1 33 LYS HA 1.800 . 3.750 3.189 2.482 3.607 . 0 0 "[ . 1 . 2]" 1
115 1 17 LYS HA 1 33 LYS QB 1.800 . 5.600 4.735 3.645 5.402 . 0 0 "[ . 1 . 2]" 1
116 1 17 LYS HA 1 33 LYS QD 1.800 . 6.050 5.965 5.511 6.127 0.077 15 0 "[ . 1 . 2]" 1
117 1 17 LYS HA 1 34 LEU H 1.800 . 4.690 4.351 3.849 4.714 0.024 16 0 "[ . 1 . 2]" 1
118 1 17 LYS QB 1 32 VAL H 1.800 . 6.050 4.698 3.797 5.919 . 0 0 "[ . 1 . 2]" 1
119 1 17 LYS QB 1 33 LYS HA 1.800 . 5.410 4.717 3.529 5.327 . 0 0 "[ . 1 . 2]" 1
120 1 17 LYS HB3 1 17 LYS QE 1.800 . 4.640 3.623 2.233 4.215 . 0 0 "[ . 1 . 2]" 1
121 1 17 LYS HB3 1 18 VAL H 1.800 . 4.830 3.814 3.249 4.415 . 0 0 "[ . 1 . 2]" 1
122 1 17 LYS HB3 1 31 GLU HA 1.800 . 5.730 3.535 2.291 5.359 . 0 0 "[ . 1 . 2]" 1
123 1 17 LYS HB2 1 17 LYS QE 1.800 . 4.640 3.678 2.221 4.226 . 0 0 "[ . 1 . 2]" 1
124 1 17 LYS HB2 1 18 VAL H 1.800 . 4.830 4.175 3.253 4.534 . 0 0 "[ . 1 . 2]" 1
125 1 17 LYS HB2 1 31 GLU HA 1.800 . 5.730 4.175 2.327 5.179 . 0 0 "[ . 1 . 2]" 1
126 1 17 LYS QD 1 18 VAL H 1.800 . 5.590 5.187 3.703 5.461 . 0 0 "[ . 1 . 2]" 1
127 1 17 LYS QD 1 31 GLU HA 1.800 . 5.200 3.672 2.328 4.077 . 0 0 "[ . 1 . 2]" 1
128 1 17 LYS QD 1 31 GLU HB3 1.800 . 4.720 2.924 2.389 3.580 . 0 0 "[ . 1 . 2]" 1
129 1 17 LYS QD 1 31 GLU HB2 1.800 . 4.720 4.299 2.326 4.912 0.192 16 0 "[ . 1 . 2]" 1
130 1 17 LYS QD 1 31 GLU QG 1.800 . 4.620 3.007 2.307 4.228 . 0 0 "[ . 1 . 2]" 1
131 1 17 LYS QD 1 31 GLU H 1.800 . 5.790 5.506 4.490 5.812 0.022 17 0 "[ . 1 . 2]" 1
132 1 17 LYS QD 1 32 VAL H 1.800 . 6.050 5.668 3.460 6.095 0.045 9 0 "[ . 1 . 2]" 1
133 1 17 LYS QE 1 31 GLU QG 1.800 . 4.600 4.114 2.243 4.707 0.107 2 0 "[ . 1 . 2]" 1
134 1 17 LYS QG 1 18 VAL H 1.800 . 4.500 3.840 2.843 4.364 . 0 0 "[ . 1 . 2]" 1
135 1 17 LYS QG 1 31 GLU HA 1.800 . 4.760 3.455 2.152 4.266 . 0 0 "[ . 1 . 2]" 1
136 1 17 LYS QG 1 31 GLU QG 1.800 . 5.000 3.934 2.538 4.747 . 0 0 "[ . 1 . 2]" 1
137 1 17 LYS QG 1 33 LYS HA 1.800 . 5.870 4.207 2.962 5.563 . 0 0 "[ . 1 . 2]" 1
138 1 17 LYS H 1 17 LYS HB3 1.800 . 4.030 3.285 2.406 3.699 . 0 0 "[ . 1 . 2]" 1
139 1 17 LYS H 1 17 LYS HB2 1.800 . 4.030 2.755 2.340 3.730 . 0 0 "[ . 1 . 2]" 1
140 1 17 LYS H 1 17 LYS QD 1.800 . 5.500 4.196 3.773 4.838 . 0 0 "[ . 1 . 2]" 1
141 1 17 LYS H 1 17 LYS QG 1.800 . 4.520 2.879 1.778 4.181 0.022 4 0 "[ . 1 . 2]" 1
142 1 17 LYS H 1 18 VAL MG1 1.800 . 4.830 3.743 3.484 3.988 . 0 0 "[ . 1 . 2]" 1
143 1 17 LYS H 1 18 VAL H 1.800 . 5.330 4.400 4.309 4.520 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS H 1 86 ASP HA 1.800 . 4.300 3.760 3.242 4.308 0.008 19 0 "[ . 1 . 2]" 1
145 1 17 LYS H 1 86 ASP HB3 1.800 . 5.290 3.344 2.773 4.817 . 0 0 "[ . 1 . 2]" 1
146 1 17 LYS H 1 86 ASP HB2 1.800 . 5.290 3.479 2.788 4.527 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS H 1 87 GLY H 1.800 . 5.690 4.364 3.812 4.732 . 0 0 "[ . 1 . 2]" 1
148 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.330 2.286 2.253 2.326 . 0 0 "[ . 1 . 2]" 1
149 1 18 VAL HA 1 18 VAL MG2 1.800 . 4.070 3.199 3.195 3.208 . 0 0 "[ . 1 . 2]" 1
150 1 18 VAL HA 1 19 ASN H 1.800 . 3.390 2.409 2.384 2.455 . 0 0 "[ . 1 . 2]" 1
151 1 18 VAL HA 1 88 LEU QB 1.800 . 5.710 4.340 3.978 4.589 . 0 0 "[ . 1 . 2]" 1
152 1 18 VAL HA 1 88 LEU H 1.800 . 5.180 3.644 3.312 3.900 . 0 0 "[ . 1 . 2]" 1
153 1 18 VAL HA 1 89 ARG HA 1.800 . 5.460 4.686 4.019 5.036 . 0 0 "[ . 1 . 2]" 1
154 1 18 VAL HB 1 19 ASN H 1.800 . 3.620 2.466 2.371 2.545 . 0 0 "[ . 1 . 2]" 1
155 1 18 VAL HB 1 87 GLY H 1.800 . 6.050 4.926 4.486 5.296 . 0 0 "[ . 1 . 2]" 1
156 1 18 VAL HB 1 89 ARG HA 1.800 . 4.490 3.631 2.802 4.007 . 0 0 "[ . 1 . 2]" 1
157 1 18 VAL HB 1 90 LEU MD1 1.800 . 5.070 3.668 3.205 4.086 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL HB 1 90 LEU HG 1.800 . 4.320 3.227 2.814 3.656 . 0 0 "[ . 1 . 2]" 1
159 1 18 VAL HB 1 90 LEU H 1.800 . 4.620 4.084 3.739 4.633 0.013 7 0 "[ . 1 . 2]" 1
160 1 18 VAL MG1 1 19 ASN H 1.800 . 4.190 3.676 3.626 3.721 . 0 0 "[ . 1 . 2]" 1
161 1 18 VAL MG1 1 34 LEU H 1.800 . 5.820 5.207 4.852 5.591 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL MG1 1 86 ASP HA 1.800 . 4.630 2.857 2.464 3.455 . 0 0 "[ . 1 . 2]" 1
163 1 18 VAL MG1 1 87 GLY H 1.800 . 3.970 2.809 2.437 3.162 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL MG1 1 88 LEU QB 1.800 . 3.820 2.370 2.124 2.763 . 0 0 "[ . 1 . 2]" 1
165 1 18 VAL MG1 1 88 LEU H 1.800 . 3.950 2.426 2.171 2.771 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL MG2 1 19 ASN HA 1.800 . 5.640 4.110 4.023 4.208 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL MG2 1 19 ASN H 1.800 . 4.410 3.502 3.424 3.587 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL MG2 1 32 VAL H 1.800 . 4.290 3.779 3.399 4.074 . 0 0 "[ . 1 . 2]" 1
169 1 18 VAL MG2 1 34 LEU H 1.800 . 5.170 4.259 3.885 4.658 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL MG2 1 87 GLY H 1.800 . 6.050 5.185 4.926 5.418 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL MG2 1 88 LEU H 1.800 . 6.050 5.120 4.882 5.423 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL MG2 1 90 LEU HG 1.800 . 3.820 3.409 3.019 3.713 . 0 0 "[ . 1 . 2]" 1
173 1 18 VAL H 1 18 VAL MG2 1.800 . 3.270 2.107 2.029 2.202 . 0 0 "[ . 1 . 2]" 1
174 1 18 VAL H 1 19 ASN H 1.800 . 5.070 4.446 4.426 4.459 . 0 0 "[ . 1 . 2]" 1
175 1 18 VAL H 1 31 GLU HA 1.800 . 5.160 3.554 3.070 4.196 . 0 0 "[ . 1 . 2]" 1
176 1 18 VAL H 1 32 VAL HB 1.800 . 5.510 5.182 4.716 5.565 0.055 16 0 "[ . 1 . 2]" 1
177 1 18 VAL H 1 32 VAL MG1 1.800 . 4.890 3.160 2.384 3.926 . 0 0 "[ . 1 . 2]" 1
178 1 18 VAL H 1 32 VAL H 1.800 . 3.830 3.054 2.275 3.453 . 0 0 "[ . 1 . 2]" 1
179 1 18 VAL H 1 33 LYS HA 1.800 . 5.130 4.343 3.734 4.647 . 0 0 "[ . 1 . 2]" 1
180 1 18 VAL H 1 34 LEU H 1.800 . 5.590 5.040 4.892 5.187 . 0 0 "[ . 1 . 2]" 1
181 1 19 ASN HA 1 20 VAL HB 1.800 . 5.680 4.452 4.405 4.520 . 0 0 "[ . 1 . 2]" 1
182 1 19 ASN HA 1 20 VAL MG2 1.800 . 4.610 3.673 3.498 3.744 . 0 0 "[ . 1 . 2]" 1
183 1 19 ASN HA 1 20 VAL H 1.800 . 3.620 2.244 2.184 2.302 . 0 0 "[ . 1 . 2]" 1
184 1 19 ASN HA 1 28 VAL MG1 1.800 . 5.330 4.965 4.702 5.350 0.020 1 0 "[ . 1 . 2]" 1
185 1 19 ASN HA 1 29 ALA MB 1.800 . 5.440 4.550 4.170 5.056 . 0 0 "[ . 1 . 2]" 1
186 1 19 ASN HA 1 30 PHE HA 1.800 . 4.460 3.142 2.589 3.519 . 0 0 "[ . 1 . 2]" 1
187 1 19 ASN HA 1 31 GLU HA 1.800 . 5.490 4.619 4.061 5.148 . 0 0 "[ . 1 . 2]" 1
188 1 19 ASN HA 1 31 GLU H 1.800 . 4.270 3.304 2.978 3.632 . 0 0 "[ . 1 . 2]" 1
189 1 19 ASN HA 1 32 VAL HB 1.800 . 6.050 5.241 4.651 6.128 0.078 2 0 "[ . 1 . 2]" 1
190 1 19 ASN HA 1 32 VAL MG1 1.800 . 4.710 3.542 2.976 4.036 . 0 0 "[ . 1 . 2]" 1
191 1 19 ASN HA 1 32 VAL H 1.800 . 4.620 3.745 3.494 4.060 . 0 0 "[ . 1 . 2]" 1
192 1 19 ASN QB 1 20 VAL MG2 1.800 . 5.300 4.524 4.417 4.735 . 0 0 "[ . 1 . 2]" 1
193 1 19 ASN QB 1 28 VAL MG1 1.800 . 4.530 4.198 3.817 4.599 0.069 20 0 "[ . 1 . 2]" 1
194 1 19 ASN QB 1 30 PHE HA 1.800 . 5.220 4.034 3.612 4.409 . 0 0 "[ . 1 . 2]" 1
195 1 19 ASN QB 1 89 ARG HA 1.800 . 5.020 2.678 2.298 3.129 . 0 0 "[ . 1 . 2]" 1
196 1 19 ASN QB 1 89 ARG HB3 1.800 . 5.710 4.338 2.383 4.870 . 0 0 "[ . 1 . 2]" 1
197 1 19 ASN QB 1 89 ARG HB2 1.800 . 5.710 3.226 2.484 4.999 . 0 0 "[ . 1 . 2]" 1
198 1 19 ASN QB 1 89 ARG QD 1.800 . 4.770 3.744 3.144 4.441 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASN QB 1 89 ARG QG 1.800 . 4.550 2.462 2.223 4.152 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN H 1 88 LEU QB 1.800 . 6.050 4.651 4.350 4.904 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN H 1 89 ARG HA 1.800 . 3.960 2.681 2.210 3.010 . 0 0 "[ . 1 . 2]" 1
202 1 19 ASN H 1 89 ARG QB 1.800 . 5.720 4.182 3.070 4.772 . 0 0 "[ . 1 . 2]" 1
203 1 19 ASN H 1 90 LEU QB 1.800 . 6.050 5.419 4.997 5.900 . 0 0 "[ . 1 . 2]" 1
204 1 19 ASN H 1 90 LEU HG 1.800 . 6.050 4.548 4.123 4.990 . 0 0 "[ . 1 . 2]" 1
205 1 19 ASN H 1 90 LEU H 1.800 . 4.660 3.867 3.500 4.403 . 0 0 "[ . 1 . 2]" 1
206 1 20 VAL HA 1 20 VAL MG1 1.800 . 3.470 2.404 2.335 2.432 . 0 0 "[ . 1 . 2]" 1
207 1 20 VAL HA 1 20 VAL MG2 1.800 . 3.560 2.312 2.250 2.346 . 0 0 "[ . 1 . 2]" 1
208 1 20 VAL HA 1 21 SER H 1.800 . 3.370 2.180 2.129 2.210 . 0 0 "[ . 1 . 2]" 1
209 1 20 VAL HA 1 89 ARG HA 1.800 . 5.640 4.638 4.273 4.959 . 0 0 "[ . 1 . 2]" 1
210 1 20 VAL HA 1 90 LEU HB3 1.800 . 4.850 4.358 4.086 4.759 . 0 0 "[ . 1 . 2]" 1
211 1 20 VAL HA 1 90 LEU HB2 1.800 . 4.850 2.779 2.482 3.226 . 0 0 "[ . 1 . 2]" 1
212 1 20 VAL HA 1 90 LEU HG 1.800 . 5.470 4.490 4.165 4.735 . 0 0 "[ . 1 . 2]" 1
213 1 20 VAL HA 1 90 LEU H 1.800 . 3.960 2.993 2.678 3.264 . 0 0 "[ . 1 . 2]" 1
214 1 20 VAL HA 1 91 HIS HA 1.800 . 5.240 4.624 4.315 5.011 . 0 0 "[ . 1 . 2]" 1
215 1 20 VAL HA 1 92 VAL MG2 1.800 . 5.690 4.477 4.006 5.083 . 0 0 "[ . 1 . 2]" 1
216 1 20 VAL HB 1 21 SER H 1.800 . 6.050 4.223 4.168 4.264 . 0 0 "[ . 1 . 2]" 1
217 1 20 VAL HB 1 29 ALA HA 1.800 . 6.050 5.040 4.837 5.197 . 0 0 "[ . 1 . 2]" 1
218 1 20 VAL HB 1 29 ALA MB 1.800 . 3.540 2.292 2.223 2.318 . 0 0 "[ . 1 . 2]" 1
219 1 20 VAL HB 1 29 ALA H 1.800 . 5.590 3.206 2.808 3.540 . 0 0 "[ . 1 . 2]" 1
220 1 20 VAL MG1 1 21 SER H 1.800 . 3.840 2.505 2.437 2.566 . 0 0 "[ . 1 . 2]" 1
221 1 20 VAL MG1 1 90 LEU H 1.800 . 5.970 4.720 4.370 5.012 . 0 0 "[ . 1 . 2]" 1
222 1 20 VAL MG2 1 21 SER H 1.800 . 4.630 3.870 3.812 3.972 . 0 0 "[ . 1 . 2]" 1
223 1 20 VAL MG2 1 89 ARG HA 1.800 . 6.050 4.918 4.528 5.252 . 0 0 "[ . 1 . 2]" 1
224 1 20 VAL MG2 1 90 LEU HA 1.800 . 6.050 5.065 4.930 5.283 . 0 0 "[ . 1 . 2]" 1
225 1 20 VAL MG2 1 90 LEU QB 1.800 . 3.620 2.370 2.272 2.582 . 0 0 "[ . 1 . 2]" 1
226 1 20 VAL MG2 1 90 LEU H 1.800 . 4.760 3.676 3.327 3.980 . 0 0 "[ . 1 . 2]" 1
227 1 20 VAL H 1 20 VAL MG2 1.800 . 4.130 2.941 2.806 2.989 . 0 0 "[ . 1 . 2]" 1
228 1 20 VAL H 1 28 VAL MG1 1.800 . 4.990 3.759 3.556 4.060 . 0 0 "[ . 1 . 2]" 1
229 1 20 VAL H 1 29 ALA MB 1.800 . 4.490 3.329 3.024 3.645 . 0 0 "[ . 1 . 2]" 1
230 1 20 VAL H 1 29 ALA H 1.800 . 5.080 3.533 3.209 4.098 . 0 0 "[ . 1 . 2]" 1
231 1 20 VAL H 1 30 PHE HA 1.800 . 5.870 3.824 3.347 4.146 . 0 0 "[ . 1 . 2]" 1
232 1 21 SER HA 1 28 VAL MG1 1.800 . 5.250 3.058 2.294 3.376 . 0 0 "[ . 1 . 2]" 1
233 1 21 SER HA 1 28 VAL MG2 1.800 . 4.320 2.537 2.290 3.017 . 0 0 "[ . 1 . 2]" 1
234 1 21 SER HA 1 29 ALA H 1.800 . 5.640 3.857 3.516 4.094 . 0 0 "[ . 1 . 2]" 1
235 1 21 SER QB 1 22 ASN H 1.800 . 4.400 2.906 2.450 3.554 . 0 0 "[ . 1 . 2]" 1
236 1 21 SER QB 1 28 VAL MG1 1.800 . 4.830 3.291 2.814 4.221 . 0 0 "[ . 1 . 2]" 1
237 1 21 SER QB 1 89 ARG QD 1.800 . 4.980 4.004 3.005 5.029 0.049 17 0 "[ . 1 . 2]" 1
238 1 21 SER HB3 1 28 VAL MG2 1.800 . 5.310 3.712 2.619 4.600 . 0 0 "[ . 1 . 2]" 1
239 1 21 SER HB2 1 28 VAL MG2 1.800 . 5.310 3.417 2.433 4.864 . 0 0 "[ . 1 . 2]" 1
240 1 21 SER H 1 90 LEU QB 1.800 . 6.050 3.844 3.529 4.216 . 0 0 "[ . 1 . 2]" 1
241 1 21 SER H 1 90 LEU H 1.800 . 5.840 4.213 3.773 4.594 . 0 0 "[ . 1 . 2]" 1
242 1 21 SER H 1 91 HIS HA 1.800 . 4.210 3.035 2.720 3.430 . 0 0 "[ . 1 . 2]" 1
243 1 21 SER H 1 92 VAL H 1.800 . 5.400 3.601 3.295 4.004 . 0 0 "[ . 1 . 2]" 1
244 1 22 ASN HA 1 23 SER HA 1.800 . 5.670 4.382 4.343 4.413 . 0 0 "[ . 1 . 2]" 1
245 1 22 ASN HA 1 23 SER H 1.800 . 3.790 2.249 2.128 2.443 . 0 0 "[ . 1 . 2]" 1
246 1 22 ASN HA 1 51 THR MG 1.800 . 4.880 4.402 3.932 4.825 . 0 0 "[ . 1 . 2]" 1
247 1 22 ASN HA 1 91 HIS HE1 1.800 . 4.400 3.919 3.482 4.458 0.058 13 0 "[ . 1 . 2]" 1
248 1 22 ASN HA 1 92 VAL HA 1.800 . 5.960 4.694 4.486 4.888 . 0 0 "[ . 1 . 2]" 1
249 1 22 ASN HA 1 92 VAL HB 1.800 . 4.200 2.583 2.310 3.063 . 0 0 "[ . 1 . 2]" 1
250 1 22 ASN HA 1 92 VAL MG1 1.800 . 4.700 3.810 3.489 4.432 . 0 0 "[ . 1 . 2]" 1
251 1 22 ASN HA 1 92 VAL MG2 1.800 . 4.500 3.935 3.355 4.236 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN HA 1 92 VAL H 1.800 . 3.630 2.700 2.398 2.969 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN QB 1 23 SER H 1.800 . 3.710 3.096 2.364 3.724 0.014 20 0 "[ . 1 . 2]" 1
254 1 22 ASN QB 1 51 THR HA 1.800 . 5.470 4.730 4.144 5.444 . 0 0 "[ . 1 . 2]" 1
255 1 22 ASN QB 1 51 THR HB 1.800 . 4.570 3.964 3.273 4.573 0.003 16 0 "[ . 1 . 2]" 1
256 1 22 ASN QB 1 51 THR MG 1.800 . 3.730 2.589 2.002 3.224 . 0 0 "[ . 1 . 2]" 1
257 1 22 ASN QB 1 92 VAL HB 1.800 . 4.220 2.719 2.247 3.564 . 0 0 "[ . 1 . 2]" 1
258 1 22 ASN QB 1 92 VAL MG2 1.800 . 4.430 3.785 3.142 4.481 0.051 13 0 "[ . 1 . 2]" 1
259 1 22 ASN QB 1 92 VAL H 1.800 . 4.930 4.079 3.485 4.859 . 0 0 "[ . 1 . 2]" 1
260 1 22 ASN HB3 1 92 VAL MG1 1.800 . 5.270 4.048 3.226 5.116 . 0 0 "[ . 1 . 2]" 1
261 1 22 ASN HB2 1 92 VAL MG1 1.800 . 5.270 3.985 2.799 5.297 0.027 1 0 "[ . 1 . 2]" 1
262 1 22 ASN QD 1 25 ASN H 1.800 . 5.870 4.761 2.960 5.875 0.005 15 0 "[ . 1 . 2]" 1
263 1 22 ASN QD 1 27 ALA MB 1.800 . 4.290 2.921 1.791 4.243 0.009 5 0 "[ . 1 . 2]" 1
264 1 22 ASN QD 1 27 ALA H 1.800 . 4.890 3.967 2.280 5.029 0.139 16 0 "[ . 1 . 2]" 1
265 1 22 ASN QD 1 51 THR HA 1.800 . 5.200 3.594 2.796 5.033 . 0 0 "[ . 1 . 2]" 1
266 1 22 ASN QD 1 51 THR HB 1.800 . 5.410 3.287 2.076 4.960 . 0 0 "[ . 1 . 2]" 1
267 1 22 ASN QD 1 51 THR MG 1.800 . 4.870 2.290 1.780 3.575 0.020 5 0 "[ . 1 . 2]" 1
268 1 23 SER HA 1 91 HIS HE1 1.800 . 3.850 3.006 2.493 3.814 . 0 0 "[ . 1 . 2]" 1
269 1 23 SER QB 1 91 HIS HE1 1.800 . 4.690 3.608 2.326 4.691 0.001 15 0 "[ . 1 . 2]" 1
270 1 23 SER QB 1 93 VAL HA 1.800 . 4.280 3.063 2.511 3.668 . 0 0 "[ . 1 . 2]" 1
271 1 23 SER QB 1 93 VAL MG1 1.800 . 4.290 3.421 2.848 4.077 . 0 0 "[ . 1 . 2]" 1
272 1 23 SER QB 1 94 ASP H 1.800 . 4.950 3.187 2.642 3.978 . 0 0 "[ . 1 . 2]" 1
273 1 23 SER H 1 23 SER QB 1.800 . 3.770 2.417 2.211 2.707 . 0 0 "[ . 1 . 2]" 1
274 1 23 SER H 1 24 HIS H 1.800 . 5.100 3.321 2.486 4.655 . 0 0 "[ . 1 . 2]" 1
275 1 23 SER H 1 91 HIS HE1 1.800 . 6.060 3.521 3.104 3.905 . 0 0 "[ . 1 . 2]" 1
276 1 23 SER H 1 92 VAL HB 1.800 . 4.870 4.083 3.479 4.466 . 0 0 "[ . 1 . 2]" 1
277 1 23 SER H 1 92 VAL MG1 1.800 . 5.080 4.252 3.784 4.939 . 0 0 "[ . 1 . 2]" 1
278 1 23 SER H 1 93 VAL HA 1.800 . 4.880 3.339 2.999 3.813 . 0 0 "[ . 1 . 2]" 1
279 1 24 HIS QB 1 95 SER QB 1.800 . 5.730 5.621 4.863 5.797 0.067 11 0 "[ . 1 . 2]" 1
280 1 24 HIS HE1 1 93 VAL MG1 1.800 . 5.380 4.310 2.954 5.427 0.047 15 0 "[ . 1 . 2]" 1
281 1 24 HIS HE1 1 95 SER HA 1.800 . 5.380 4.834 3.369 5.433 0.053 9 0 "[ . 1 . 2]" 1
282 1 24 HIS H 1 25 ASN H 1.800 . 4.620 3.667 2.538 4.614 . 0 0 "[ . 1 . 2]" 1
283 1 25 ASN QB 1 27 ALA H 1.800 . 4.400 2.717 2.084 4.762 0.362 11 0 "[ . 1 . 2]" 1
284 1 25 ASN HB3 1 26 ASP H 1.800 . 4.430 3.422 1.805 4.235 . 0 0 "[ . 1 . 2]" 1
285 1 25 ASN HB2 1 26 ASP H 1.800 . 4.430 3.820 2.682 4.393 . 0 0 "[ . 1 . 2]" 1
286 1 25 ASN QD 1 27 ALA MB 1.800 . 4.460 3.345 1.794 4.572 0.112 11 0 "[ . 1 . 2]" 1
287 1 26 ASP QB 1 27 ALA MB 1.800 . 5.570 4.545 3.311 5.029 . 0 0 "[ . 1 . 2]" 1
288 1 26 ASP QB 1 28 VAL MG2 1.800 . 5.650 4.429 3.806 5.234 . 0 0 "[ . 1 . 2]" 1
289 1 26 ASP H 1 27 ALA H 1.800 . 4.030 2.597 2.337 3.843 . 0 0 "[ . 1 . 2]" 1
290 1 27 ALA HA 1 28 VAL HB 1.800 . 5.250 4.592 4.495 4.692 . 0 0 "[ . 1 . 2]" 1
291 1 27 ALA HA 1 28 VAL MG2 1.800 . 4.470 3.879 3.589 4.030 . 0 0 "[ . 1 . 2]" 1
292 1 27 ALA HA 1 28 VAL H 1.800 . 3.270 2.193 2.127 2.218 . 0 0 "[ . 1 . 2]" 1
293 1 27 ALA H 1 27 ALA MB 1.800 . 3.090 2.246 2.202 2.336 . 0 0 "[ . 1 . 2]" 1
294 1 28 VAL HA 1 28 VAL MG1 1.800 . 4.490 2.385 2.315 2.421 . 0 0 "[ . 1 . 2]" 1
295 1 28 VAL HA 1 28 VAL MG2 1.800 . 3.770 2.309 2.255 2.384 . 0 0 "[ . 1 . 2]" 1
296 1 28 VAL HB 1 30 PHE QE 1.800 . 5.070 3.351 2.734 4.035 . 0 0 "[ . 1 . 2]" 1
297 1 28 VAL HB 1 30 PHE HZ 1.800 . 4.420 3.957 3.551 4.397 . 0 0 "[ . 1 . 2]" 1
298 1 28 VAL MG1 1 29 ALA HA 1.800 . 5.590 3.767 3.673 3.836 . 0 0 "[ . 1 . 2]" 1
299 1 28 VAL MG1 1 29 ALA MB 1.800 . 5.300 3.971 3.907 4.060 . 0 0 "[ . 1 . 2]" 1
300 1 28 VAL MG1 1 29 ALA H 1.800 . 4.770 2.521 2.446 2.601 . 0 0 "[ . 1 . 2]" 1
301 1 28 VAL MG1 1 30 PHE QE 1.800 . 5.120 2.743 2.518 3.200 . 0 0 "[ . 1 . 2]" 1
302 1 28 VAL MG1 1 30 PHE HZ 1.800 . 4.950 2.676 2.247 3.347 . 0 0 "[ . 1 . 2]" 1
303 1 28 VAL MG2 1 29 ALA H 1.800 . 4.650 3.902 3.845 3.992 . 0 0 "[ . 1 . 2]" 1
304 1 28 VAL MG2 1 30 PHE QE 1.800 . 4.940 4.373 3.827 4.908 . 0 0 "[ . 1 . 2]" 1
305 1 28 VAL MG2 1 30 PHE HZ 1.800 . 4.990 4.227 3.772 4.974 . 0 0 "[ . 1 . 2]" 1
306 1 28 VAL H 1 28 VAL MG2 1.800 . 4.150 2.960 2.838 3.013 . 0 0 "[ . 1 . 2]" 1
307 1 29 ALA HA 1 30 PHE QB 1.800 . 5.150 4.331 4.283 4.445 . 0 0 "[ . 1 . 2]" 1
308 1 29 ALA HA 1 30 PHE QD 1.800 . 5.640 3.769 3.514 4.082 . 0 0 "[ . 1 . 2]" 1
309 1 29 ALA HA 1 30 PHE H 1.800 . 3.220 2.237 2.164 2.327 . 0 0 "[ . 1 . 2]" 1
310 1 29 ALA MB 1 30 PHE H 1.800 . 3.970 2.961 2.711 3.196 . 0 0 "[ . 1 . 2]" 1
311 1 29 ALA MB 1 50 LEU MD1 1.800 . 3.540 3.264 2.224 3.615 0.075 13 0 "[ . 1 . 2]" 1
312 1 29 ALA MB 1 50 LEU MD2 1.800 . 2.920 2.720 2.254 2.964 0.044 1 0 "[ . 1 . 2]" 1
313 1 30 PHE HA 1 30 PHE QD 1.800 . 4.700 2.632 2.477 2.756 . 0 0 "[ . 1 . 2]" 1
314 1 30 PHE HA 1 31 GLU HG3 1.800 . 5.740 4.470 3.916 5.706 . 0 0 "[ . 1 . 2]" 1
315 1 30 PHE HA 1 31 GLU HG2 1.800 . 5.740 5.152 3.909 5.585 . 0 0 "[ . 1 . 2]" 1
316 1 30 PHE HA 1 31 GLU H 1.800 . 3.330 2.221 2.146 2.255 . 0 0 "[ . 1 . 2]" 1
317 1 30 PHE QB 1 31 GLU QB 1.800 . 5.590 3.511 3.419 3.864 . 0 0 "[ . 1 . 2]" 1
318 1 30 PHE QB 1 31 GLU QG 1.800 . 4.810 2.877 2.343 3.151 . 0 0 "[ . 1 . 2]" 1
319 1 30 PHE HB3 1 31 GLU QG 1.800 . 4.940 2.935 2.406 3.219 . 0 0 "[ . 1 . 2]" 1
320 1 30 PHE HB3 1 31 GLU H 1.800 . 4.880 2.953 2.771 3.201 . 0 0 "[ . 1 . 2]" 1
321 1 30 PHE HB2 1 31 GLU QG 1.800 . 4.940 4.157 3.108 4.504 . 0 0 "[ . 1 . 2]" 1
322 1 30 PHE HB2 1 31 GLU H 1.800 . 4.880 4.048 3.914 4.236 . 0 0 "[ . 1 . 2]" 1
323 1 30 PHE QD 1 31 GLU H 1.800 . 5.350 3.633 3.408 3.864 . 0 0 "[ . 1 . 2]" 1
324 1 30 PHE H 1 30 PHE QD 1.800 . 4.540 2.954 2.569 3.233 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLU HA 1 31 GLU HG3 1.800 . 4.380 3.096 2.869 3.732 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLU HA 1 31 GLU HG2 1.800 . 4.380 2.610 2.408 3.752 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLU HA 1 32 VAL MG1 1.800 . 5.470 4.178 3.895 4.420 . 0 0 "[ . 1 . 2]" 1
328 1 31 GLU HA 1 32 VAL H 1.800 . 3.510 2.630 2.430 2.813 . 0 0 "[ . 1 . 2]" 1
329 1 31 GLU HB3 1 32 VAL H 1.800 . 6.050 4.404 4.236 4.679 . 0 0 "[ . 1 . 2]" 1
330 1 31 GLU HB2 1 32 VAL H 1.800 . 6.050 4.419 4.238 4.503 . 0 0 "[ . 1 . 2]" 1
331 1 31 GLU HG3 1 32 VAL H 1.800 . 5.900 5.110 4.152 5.977 0.077 14 0 "[ . 1 . 2]" 1
332 1 31 GLU HG2 1 32 VAL H 1.800 . 5.900 5.006 4.637 5.150 . 0 0 "[ . 1 . 2]" 1
333 1 31 GLU H 1 31 GLU HG3 1.800 . 4.640 2.888 2.414 4.059 . 0 0 "[ . 1 . 2]" 1
334 1 31 GLU H 1 31 GLU HG2 1.800 . 4.640 3.236 2.403 3.553 . 0 0 "[ . 1 . 2]" 1
335 1 31 GLU H 1 32 VAL H 1.800 . 3.820 3.136 2.857 3.509 . 0 0 "[ . 1 . 2]" 1
336 1 32 VAL HA 1 32 VAL MG1 1.800 . 3.700 3.023 2.434 3.213 . 0 0 "[ . 1 . 2]" 1
337 1 32 VAL HA 1 32 VAL MG2 1.800 . 3.560 2.509 2.221 3.206 . 0 0 "[ . 1 . 2]" 1
338 1 32 VAL HA 1 33 LYS QB 1.800 . 4.600 4.283 4.048 4.441 . 0 0 "[ . 1 . 2]" 1
339 1 32 VAL HA 1 33 LYS H 1.800 . 3.110 2.184 2.122 2.216 . 0 0 "[ . 1 . 2]" 1
340 1 32 VAL HB 1 34 LEU MD1 1.800 . 5.060 4.357 3.247 5.070 0.010 10 0 "[ . 1 . 2]" 1
341 1 32 VAL HB 1 34 LEU HG 1.800 . 5.320 4.633 3.289 5.335 0.015 1 0 "[ . 1 . 2]" 1
342 1 32 VAL MG2 1 33 LYS H 1.800 . 4.190 3.026 2.556 3.871 . 0 0 "[ . 1 . 2]" 1
343 1 32 VAL MG2 1 34 LEU HG 1.800 . 3.470 2.587 2.311 3.034 . 0 0 "[ . 1 . 2]" 1
344 1 32 VAL H 1 32 VAL HB 1.800 . 3.250 2.900 2.483 3.647 0.397 2 0 "[ . 1 . 2]" 1
345 1 32 VAL H 1 32 VAL MG1 1.800 . 3.710 2.021 1.822 2.271 . 0 0 "[ . 1 . 2]" 1
346 1 32 VAL H 1 32 VAL MG2 1.800 . 4.300 3.413 2.079 3.860 . 0 0 "[ . 1 . 2]" 1
347 1 32 VAL H 1 33 LYS H 1.800 . 5.270 4.500 4.394 4.591 . 0 0 "[ . 1 . 2]" 1
348 1 33 LYS HA 1 33 LYS QD 1.800 . 4.630 4.040 3.876 4.458 . 0 0 "[ . 1 . 2]" 1
349 1 33 LYS HA 1 33 LYS QG 1.800 . 3.850 2.542 2.225 3.329 . 0 0 "[ . 1 . 2]" 1
350 1 33 LYS HA 1 34 LEU QB 1.800 . 5.740 4.398 4.297 4.557 . 0 0 "[ . 1 . 2]" 1
351 1 33 LYS HA 1 34 LEU HG 1.800 . 5.320 3.883 3.732 4.036 . 0 0 "[ . 1 . 2]" 1
352 1 33 LYS HA 1 34 LEU H 1.800 . 3.130 2.185 2.123 2.222 . 0 0 "[ . 1 . 2]" 1
353 1 33 LYS QB 1 33 LYS QD 1.800 . 3.650 2.172 2.118 2.270 . 0 0 "[ . 1 . 2]" 1
354 1 33 LYS QB 1 33 LYS QE 1.800 . 4.280 3.027 2.130 3.629 . 0 0 "[ . 1 . 2]" 1
355 1 33 LYS QB 1 34 LEU MD2 1.800 . 5.730 4.577 4.307 5.026 . 0 0 "[ . 1 . 2]" 1
356 1 33 LYS QB 1 34 LEU H 1.800 . 4.470 3.413 3.053 3.969 . 0 0 "[ . 1 . 2]" 1
357 1 33 LYS QD 1 34 LEU H 1.800 . 6.050 5.227 4.995 5.742 . 0 0 "[ . 1 . 2]" 1
358 1 33 LYS QE 1 34 LEU H 1.800 . 6.050 5.641 4.795 6.094 0.044 13 0 "[ . 1 . 2]" 1
359 1 33 LYS QE 1 33 LYS QG 1.800 . 3.290 2.229 2.119 2.652 . 0 0 "[ . 1 . 2]" 1
360 1 33 LYS QG 1 34 LEU H 1.800 . 4.510 3.709 3.002 4.118 . 0 0 "[ . 1 . 2]" 1
361 1 33 LYS H 1 33 LYS QB 1.800 . 3.270 2.390 2.274 2.689 . 0 0 "[ . 1 . 2]" 1
362 1 33 LYS H 1 33 LYS QD 1.800 . 5.210 4.049 3.360 4.656 . 0 0 "[ . 1 . 2]" 1
363 1 33 LYS H 1 33 LYS QE 1.800 . 5.970 4.774 3.467 6.119 0.149 6 0 "[ . 1 . 2]" 1
364 1 33 LYS H 1 33 LYS HG3 1.800 . 5.260 3.312 2.395 4.607 . 0 0 "[ . 1 . 2]" 1
365 1 33 LYS H 1 33 LYS HG2 1.800 . 5.260 3.523 1.855 4.599 . 0 0 "[ . 1 . 2]" 1
366 1 33 LYS H 1 34 LEU MD2 1.800 . 5.910 4.570 3.919 4.775 . 0 0 "[ . 1 . 2]" 1
367 1 33 LYS H 1 34 LEU H 1.800 . 4.990 4.503 4.203 4.621 . 0 0 "[ . 1 . 2]" 1
368 1 34 LEU HA 1 34 LEU MD1 1.800 . 4.690 3.829 3.817 3.851 . 0 0 "[ . 1 . 2]" 1
369 1 34 LEU HA 1 34 LEU MD2 1.800 . 3.180 2.147 2.122 2.162 . 0 0 "[ . 1 . 2]" 1
370 1 34 LEU HA 1 38 LEU MD1 1.800 . 4.690 3.236 2.720 3.751 . 0 0 "[ . 1 . 2]" 1
371 1 34 LEU HA 1 79 LEU MD2 1.800 . 4.820 4.508 4.040 4.852 0.032 12 0 "[ . 1 . 2]" 1
372 1 34 LEU QB 1 34 LEU MD2 1.800 . 3.730 2.208 2.187 2.230 . 0 0 "[ . 1 . 2]" 1
373 1 34 LEU QB 1 43 LEU MD1 1.800 . 4.470 3.589 3.197 3.891 . 0 0 "[ . 1 . 2]" 1
374 1 34 LEU HB3 1 34 LEU MD1 1.800 . 3.500 2.425 2.385 2.476 . 0 0 "[ . 1 . 2]" 1
375 1 34 LEU HB3 1 35 ALA H 1.800 . 5.520 3.167 2.954 3.434 . 0 0 "[ . 1 . 2]" 1
376 1 34 LEU HB3 1 79 LEU MD2 1.800 . 3.530 2.649 2.135 3.006 . 0 0 "[ . 1 . 2]" 1
377 1 34 LEU HB2 1 34 LEU MD1 1.800 . 3.500 2.304 2.250 2.357 . 0 0 "[ . 1 . 2]" 1
378 1 34 LEU HB2 1 35 ALA H 1.800 . 5.520 4.140 3.972 4.306 . 0 0 "[ . 1 . 2]" 1
379 1 34 LEU HB2 1 79 LEU MD2 1.800 . 3.530 2.871 2.371 3.400 . 0 0 "[ . 1 . 2]" 1
380 1 34 LEU MD1 1 35 ALA H 1.800 . 6.000 4.995 4.823 5.162 . 0 0 "[ . 1 . 2]" 1
381 1 34 LEU MD2 1 35 ALA H 1.800 . 4.170 3.468 3.286 3.553 . 0 0 "[ . 1 . 2]" 1
382 1 34 LEU MD2 1 46 LYS QD 1.800 . 3.610 2.744 1.971 3.257 . 0 0 "[ . 1 . 2]" 1
383 1 34 LEU MD2 1 46 LYS QE 1.800 . 4.610 3.521 2.526 4.619 0.009 8 0 "[ . 1 . 2]" 1
384 1 34 LEU HG 1 35 ALA H 1.800 . 5.680 4.959 4.873 5.007 . 0 0 "[ . 1 . 2]" 1
385 1 34 LEU H 1 34 LEU QB 1.800 . 3.820 2.663 2.621 2.706 . 0 0 "[ . 1 . 2]" 1
386 1 34 LEU H 1 34 LEU MD1 1.800 . 4.710 4.091 4.007 4.198 . 0 0 "[ . 1 . 2]" 1
387 1 34 LEU H 1 34 LEU MD2 1.800 . 4.700 3.989 3.791 4.076 . 0 0 "[ . 1 . 2]" 1
388 1 34 LEU H 1 34 LEU HG 1.800 . 4.210 3.094 2.876 3.255 . 0 0 "[ . 1 . 2]" 1
389 1 34 LEU H 1 79 LEU MD2 1.800 . 6.050 4.877 4.404 5.337 . 0 0 "[ . 1 . 2]" 1
390 1 35 ALA HA 1 36 LYS QB 1.800 . 5.870 4.412 4.080 4.525 . 0 0 "[ . 1 . 2]" 1
391 1 35 ALA HA 1 36 LYS QD 1.800 . 6.050 5.398 3.537 5.821 . 0 0 "[ . 1 . 2]" 1
392 1 35 ALA HA 1 36 LYS H 1.800 . 3.210 2.205 2.125 2.246 . 0 0 "[ . 1 . 2]" 1
393 1 35 ALA HA 1 37 ASP H 1.800 . 4.570 3.731 3.570 4.038 . 0 0 "[ . 1 . 2]" 1
394 1 35 ALA HA 1 38 LEU MD1 1.800 . 6.050 4.087 3.926 4.294 . 0 0 "[ . 1 . 2]" 1
395 1 35 ALA HA 1 38 LEU H 1.800 . 5.220 4.865 4.799 4.961 . 0 0 "[ . 1 . 2]" 1
396 1 35 ALA HA 1 79 LEU MD2 1.800 . 5.160 4.745 4.532 4.978 . 0 0 "[ . 1 . 2]" 1
397 1 35 ALA MB 1 36 LYS HA 1.800 . 5.220 4.425 4.391 4.508 . 0 0 "[ . 1 . 2]" 1
398 1 35 ALA MB 1 36 LYS H 1.800 . 3.880 3.004 2.847 3.167 . 0 0 "[ . 1 . 2]" 1
399 1 35 ALA MB 1 37 ASP H 1.800 . 3.340 2.427 2.233 2.954 . 0 0 "[ . 1 . 2]" 1
400 1 35 ALA MB 1 38 LEU HG 1.800 . 3.490 2.194 2.106 2.287 . 0 0 "[ . 1 . 2]" 1
401 1 35 ALA MB 1 38 LEU H 1.800 . 3.630 3.176 3.036 3.324 . 0 0 "[ . 1 . 2]" 1
402 1 35 ALA H 1 35 ALA MB 1.800 . 3.040 2.125 2.069 2.181 . 0 0 "[ . 1 . 2]" 1
403 1 35 ALA H 1 36 LYS H 1.800 . 5.150 4.613 4.545 4.646 . 0 0 "[ . 1 . 2]" 1
404 1 35 ALA H 1 37 ASP H 1.800 . 6.050 5.258 5.030 5.788 . 0 0 "[ . 1 . 2]" 1
405 1 35 ALA H 1 38 LEU QB 1.800 . 6.050 4.411 4.076 4.678 . 0 0 "[ . 1 . 2]" 1
406 1 35 ALA H 1 38 LEU MD1 1.800 . 4.790 2.196 1.919 2.436 . 0 0 "[ . 1 . 2]" 1
407 1 35 ALA H 1 38 LEU MD2 1.800 . 6.050 4.287 3.827 4.770 . 0 0 "[ . 1 . 2]" 1
408 1 35 ALA H 1 38 LEU HG 1.800 . 4.660 3.622 3.179 4.091 . 0 0 "[ . 1 . 2]" 1
409 1 35 ALA H 1 43 LEU MD1 1.800 . 6.050 5.912 5.569 6.083 0.033 11 0 "[ . 1 . 2]" 1
410 1 35 ALA H 1 46 LYS QD 1.800 . 6.050 5.590 4.954 6.018 . 0 0 "[ . 1 . 2]" 1
411 1 35 ALA H 1 79 LEU MD2 1.800 . 4.330 4.244 3.936 4.373 0.043 11 0 "[ . 1 . 2]" 1
412 1 36 LYS HA 1 36 LYS QD 1.800 . 4.810 4.016 2.420 4.520 . 0 0 "[ . 1 . 2]" 1
413 1 36 LYS HA 1 36 LYS QE 1.800 . 6.050 4.412 2.283 5.637 . 0 0 "[ . 1 . 2]" 1
414 1 36 LYS HA 1 36 LYS QG 1.800 . 3.970 2.579 2.302 3.318 . 0 0 "[ . 1 . 2]" 1
415 1 36 LYS HA 1 37 ASP HA 1.800 . 5.910 4.743 4.716 4.839 . 0 0 "[ . 1 . 2]" 1
416 1 36 LYS HA 1 38 LEU H 1.800 . 4.550 3.426 3.327 3.520 . 0 0 "[ . 1 . 2]" 1
417 1 36 LYS HA 1 79 LEU QB 1.800 . 3.740 2.577 2.341 2.947 . 0 0 "[ . 1 . 2]" 1
418 1 36 LYS HA 1 79 LEU MD1 1.800 . 5.780 4.624 4.305 5.022 . 0 0 "[ . 1 . 2]" 1
419 1 36 LYS HA 1 79 LEU MD2 1.800 . 3.710 2.751 2.296 3.428 . 0 0 "[ . 1 . 2]" 1
420 1 36 LYS HA 1 79 LEU HG 1.800 . 4.690 3.187 2.796 3.627 . 0 0 "[ . 1 . 2]" 1
421 1 36 LYS HA 1 79 LEU H 1.800 . 5.020 4.620 4.339 4.944 . 0 0 "[ . 1 . 2]" 1
422 1 36 LYS HA 1 80 GLY H 1.800 . 4.410 3.265 2.964 3.632 . 0 0 "[ . 1 . 2]" 1
423 1 36 LYS QB 1 36 LYS QE 1.800 . 4.950 2.597 2.061 3.641 . 0 0 "[ . 1 . 2]" 1
424 1 36 LYS QB 1 37 ASP H 1.800 . 4.390 3.202 2.584 3.752 . 0 0 "[ . 1 . 2]" 1
425 1 36 LYS QB 1 80 GLY HA3 1.800 . 4.400 2.403 2.309 3.063 . 0 0 "[ . 1 . 2]" 1
426 1 36 LYS QB 1 80 GLY HA2 1.800 . 4.400 3.292 2.503 4.080 . 0 0 "[ . 1 . 2]" 1
427 1 36 LYS QB 1 80 GLY H 1.800 . 4.060 3.177 2.855 3.742 . 0 0 "[ . 1 . 2]" 1
428 1 36 LYS QD 1 37 ASP H 1.800 . 5.520 5.138 4.400 5.614 0.094 14 0 "[ . 1 . 2]" 1
429 1 36 LYS QD 1 80 GLY QA 1.800 . 5.690 3.379 2.728 4.530 . 0 0 "[ . 1 . 2]" 1
430 1 36 LYS QE 1 36 LYS QG 1.800 . 3.590 2.245 2.112 2.903 . 0 0 "[ . 1 . 2]" 1
431 1 36 LYS QG 1 80 GLY QA 1.800 . 5.030 3.135 2.045 3.894 . 0 0 "[ . 1 . 2]" 1
432 1 36 LYS HG3 1 80 GLY QA 1.800 . 6.050 4.152 2.072 4.574 . 0 0 "[ . 1 . 2]" 1
433 1 36 LYS HG3 1 80 GLY H 1.800 . 6.050 5.211 3.372 5.815 . 0 0 "[ . 1 . 2]" 1
434 1 36 LYS HG2 1 80 GLY QA 1.800 . 6.050 3.515 2.812 4.949 . 0 0 "[ . 1 . 2]" 1
435 1 36 LYS HG2 1 80 GLY H 1.800 . 6.050 4.728 4.071 5.779 . 0 0 "[ . 1 . 2]" 1
436 1 36 LYS H 1 36 LYS HB3 1.800 . 4.030 3.355 2.544 3.613 . 0 0 "[ . 1 . 2]" 1
437 1 36 LYS H 1 36 LYS HB2 1.800 . 4.030 2.695 2.081 3.622 . 0 0 "[ . 1 . 2]" 1
438 1 36 LYS H 1 36 LYS QD 1.800 . 4.110 3.817 2.485 4.251 0.141 3 0 "[ . 1 . 2]" 1
439 1 36 LYS H 1 36 LYS QE 1.800 . 4.910 4.031 3.257 4.950 0.040 5 0 "[ . 1 . 2]" 1
440 1 36 LYS H 1 36 LYS QG 1.800 . 3.900 2.239 1.738 3.786 0.062 2 0 "[ . 1 . 2]" 1
441 1 36 LYS H 1 37 ASP H 1.800 . 3.410 2.525 2.473 2.662 . 0 0 "[ . 1 . 2]" 1
442 1 36 LYS H 1 79 LEU MD2 1.800 . 5.100 4.500 4.190 4.931 . 0 0 "[ . 1 . 2]" 1
443 1 37 ASP HA 1 78 GLN HB3 1.800 . 5.170 3.632 3.490 3.748 . 0 0 "[ . 1 . 2]" 1
444 1 37 ASP HA 1 78 GLN HB2 1.800 . 5.170 5.155 4.903 5.234 0.064 4 0 "[ . 1 . 2]" 1
445 1 37 ASP HA 1 78 GLN HE21 1.800 . 5.390 3.596 2.797 5.156 . 0 0 "[ . 1 . 2]" 1
446 1 37 ASP HA 1 78 GLN HE22 1.800 . 5.390 3.979 3.454 4.686 . 0 0 "[ . 1 . 2]" 1
447 1 37 ASP HA 1 78 GLN QG 1.800 . 5.410 4.139 3.867 4.714 . 0 0 "[ . 1 . 2]" 1
448 1 37 ASP HA 1 79 LEU H 1.800 . 5.650 4.596 4.447 4.769 . 0 0 "[ . 1 . 2]" 1
449 1 37 ASP HA 1 80 GLY H 1.800 . 5.250 4.492 4.035 4.788 . 0 0 "[ . 1 . 2]" 1
450 1 37 ASP QB 1 38 LEU H 1.800 . 4.290 3.480 3.319 3.868 . 0 0 "[ . 1 . 2]" 1
451 1 37 ASP QB 1 78 GLN QE 1.800 . 4.380 4.029 3.681 4.442 0.062 2 0 "[ . 1 . 2]" 1
452 1 37 ASP H 1 37 ASP QB 1.800 . 3.450 2.419 2.246 2.687 . 0 0 "[ . 1 . 2]" 1
453 1 37 ASP H 1 38 LEU MD2 1.800 . 6.050 4.955 4.457 5.399 . 0 0 "[ . 1 . 2]" 1
454 1 37 ASP H 1 38 LEU H 1.800 . 3.280 2.557 2.494 2.828 . 0 0 "[ . 1 . 2]" 1
455 1 37 ASP H 1 79 LEU MD2 1.800 . 6.050 4.905 4.599 5.418 . 0 0 "[ . 1 . 2]" 1
456 1 38 LEU HA 1 38 LEU MD1 1.800 . 4.300 3.817 3.794 3.842 . 0 0 "[ . 1 . 2]" 1
457 1 38 LEU HA 1 38 LEU MD2 1.800 . 3.410 2.152 2.105 2.213 . 0 0 "[ . 1 . 2]" 1
458 1 38 LEU HA 1 38 LEU HG 1.800 . 4.230 2.853 2.629 3.040 . 0 0 "[ . 1 . 2]" 1
459 1 38 LEU HA 1 39 THR MG 1.800 . 4.550 3.528 3.282 3.944 . 0 0 "[ . 1 . 2]" 1
460 1 38 LEU HA 1 39 THR H 1.800 . 3.130 2.239 2.182 2.317 . 0 0 "[ . 1 . 2]" 1
461 1 38 LEU HA 1 42 GLN QB 1.800 . 4.700 3.792 3.483 4.084 . 0 0 "[ . 1 . 2]" 1
462 1 38 LEU QB 1 38 LEU MD2 1.800 . 3.360 2.201 2.162 2.238 . 0 0 "[ . 1 . 2]" 1
463 1 38 LEU QB 1 79 LEU QB 1.800 . 4.180 2.658 2.372 2.975 . 0 0 "[ . 1 . 2]" 1
464 1 38 LEU HB3 1 38 LEU MD1 1.800 . 3.600 2.407 2.333 2.479 . 0 0 "[ . 1 . 2]" 1
465 1 38 LEU HB3 1 39 THR H 1.800 . 4.750 2.967 2.719 3.153 . 0 0 "[ . 1 . 2]" 1
466 1 38 LEU HB3 1 42 GLN QB 1.800 . 5.040 2.990 2.290 3.354 . 0 0 "[ . 1 . 2]" 1
467 1 38 LEU HB3 1 43 LEU H 1.800 . 6.050 4.172 3.836 4.389 . 0 0 "[ . 1 . 2]" 1
468 1 38 LEU HB3 1 79 LEU H 1.800 . 6.010 5.083 4.800 5.233 . 0 0 "[ . 1 . 2]" 1
469 1 38 LEU HB2 1 38 LEU MD1 1.800 . 3.600 2.323 2.270 2.393 . 0 0 "[ . 1 . 2]" 1
470 1 38 LEU HB2 1 39 THR H 1.800 . 4.750 4.045 3.853 4.211 . 0 0 "[ . 1 . 2]" 1
471 1 38 LEU HB2 1 42 GLN QB 1.800 . 5.040 4.505 3.773 4.884 . 0 0 "[ . 1 . 2]" 1
472 1 38 LEU HB2 1 43 LEU H 1.800 . 6.050 5.389 4.856 5.725 . 0 0 "[ . 1 . 2]" 1
473 1 38 LEU HB2 1 79 LEU H 1.800 . 6.010 4.310 4.066 4.571 . 0 0 "[ . 1 . 2]" 1
474 1 38 LEU MD1 1 39 THR H 1.800 . 4.840 4.839 4.695 4.960 0.120 7 0 "[ . 1 . 2]" 1
475 1 38 LEU MD1 1 42 GLN QB 1.800 . 4.400 3.971 3.185 4.355 . 0 0 "[ . 1 . 2]" 1
476 1 38 LEU MD1 1 43 LEU HA 1.800 . 4.150 4.161 4.048 4.232 0.082 15 0 "[ . 1 . 2]" 1
477 1 38 LEU MD1 1 46 LYS QE 1.800 . 5.080 2.949 2.072 3.657 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU MD2 1 39 THR H 1.800 . 4.030 3.321 3.216 3.434 . 0 0 "[ . 1 . 2]" 1
479 1 38 LEU MD2 1 42 GLN HB3 1.800 . 4.580 2.984 2.321 3.712 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU MD2 1 42 GLN HB2 1.800 . 4.580 3.375 3.026 4.046 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU MD2 1 42 GLN QE 1.800 . 5.350 4.310 3.315 5.403 0.053 7 0 "[ . 1 . 2]" 1
482 1 38 LEU MD2 1 42 GLN HG3 1.800 . 5.180 4.390 2.920 5.216 0.036 2 0 "[ . 1 . 2]" 1
483 1 38 LEU MD2 1 42 GLN HG2 1.800 . 5.180 4.469 2.469 5.042 . 0 0 "[ . 1 . 2]" 1
484 1 38 LEU MD2 1 42 GLN H 1.800 . 6.050 5.436 4.932 5.898 . 0 0 "[ . 1 . 2]" 1
485 1 38 LEU MD2 1 46 LYS QE 1.800 . 4.260 3.429 2.319 4.321 0.061 7 0 "[ . 1 . 2]" 1
486 1 38 LEU HG 1 39 THR H 1.800 . 5.900 4.855 4.672 5.006 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU HG 1 42 GLN QB 1.800 . 6.050 5.197 4.551 5.541 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU H 1 38 LEU HB3 1.800 . 4.070 3.619 3.577 3.649 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU H 1 38 LEU HB2 1.800 . 4.070 2.407 2.283 2.520 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU H 1 38 LEU MD1 1.800 . 4.140 3.518 3.423 3.591 . 0 0 "[ . 1 . 2]" 1
491 1 38 LEU H 1 38 LEU MD2 1.800 . 4.020 3.645 3.328 3.951 . 0 0 "[ . 1 . 2]" 1
492 1 38 LEU H 1 38 LEU HG 1.800 . 3.410 2.410 2.186 2.678 . 0 0 "[ . 1 . 2]" 1
493 1 38 LEU H 1 39 THR H 1.800 . 5.160 4.634 4.600 4.659 . 0 0 "[ . 1 . 2]" 1
494 1 38 LEU H 1 79 LEU QB 1.800 . 4.840 3.080 2.944 3.223 . 0 0 "[ . 1 . 2]" 1
495 1 38 LEU H 1 79 LEU MD2 1.800 . 5.120 3.699 3.483 3.948 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU H 1 79 LEU H 1.800 . 4.790 4.023 3.813 4.195 . 0 0 "[ . 1 . 2]" 1
497 1 39 THR HA 1 39 THR MG 1.800 . 3.480 2.393 2.243 2.522 . 0 0 "[ . 1 . 2]" 1
498 1 39 THR HA 1 40 VAL HA 1.800 . 5.270 4.366 4.343 4.443 . 0 0 "[ . 1 . 2]" 1
499 1 39 THR HA 1 40 VAL HB 1.800 . 5.520 4.823 4.768 4.910 . 0 0 "[ . 1 . 2]" 1
500 1 39 THR HA 1 40 VAL MG2 1.800 . 5.170 3.736 3.637 3.828 . 0 0 "[ . 1 . 2]" 1
501 1 39 THR HA 1 40 VAL H 1.800 . 3.500 2.430 2.396 2.483 . 0 0 "[ . 1 . 2]" 1
502 1 39 THR HA 1 41 ALA MB 1.800 . 5.960 5.410 4.614 5.536 . 0 0 "[ . 1 . 2]" 1
503 1 39 THR HA 1 41 ALA H 1.800 . 5.140 4.480 4.022 4.550 . 0 0 "[ . 1 . 2]" 1
504 1 39 THR HA 1 42 GLN QB 1.800 . 5.810 4.533 4.274 4.659 . 0 0 "[ . 1 . 2]" 1
505 1 39 THR HA 1 42 GLN H 1.800 . 5.310 4.707 4.248 4.816 . 0 0 "[ . 1 . 2]" 1
506 1 39 THR HA 1 78 GLN QB 1.800 . 6.050 4.183 3.983 4.395 . 0 0 "[ . 1 . 2]" 1
507 1 39 THR HA 1 78 GLN HG3 1.800 . 5.390 4.804 4.669 4.939 . 0 0 "[ . 1 . 2]" 1
508 1 39 THR HA 1 78 GLN HG2 1.800 . 5.390 3.833 3.542 4.080 . 0 0 "[ . 1 . 2]" 1
509 1 39 THR HA 1 78 GLN H 1.800 . 5.290 5.046 4.910 5.163 . 0 0 "[ . 1 . 2]" 1
510 1 39 THR HA 1 79 LEU H 1.800 . 4.110 3.068 2.782 3.309 . 0 0 "[ . 1 . 2]" 1
511 1 39 THR HB 1 40 VAL HB 1.800 . 5.410 4.218 3.798 4.377 . 0 0 "[ . 1 . 2]" 1
512 1 39 THR HB 1 40 VAL MG2 1.800 . 5.070 4.345 4.221 4.468 . 0 0 "[ . 1 . 2]" 1
513 1 39 THR HB 1 40 VAL H 1.800 . 4.070 2.450 2.162 2.534 . 0 0 "[ . 1 . 2]" 1
514 1 39 THR HB 1 41 ALA H 1.800 . 3.880 3.013 2.066 3.360 . 0 0 "[ . 1 . 2]" 1
515 1 39 THR HB 1 42 GLN H 1.800 . 4.660 3.603 2.767 4.018 . 0 0 "[ . 1 . 2]" 1
516 1 39 THR HG1 1 41 ALA MB 1.800 . 4.850 3.136 2.335 4.452 . 0 0 "[ . 1 . 2]" 1
517 1 39 THR HG1 1 42 GLN H 1.800 . 4.950 2.535 1.773 3.180 0.027 3 0 "[ . 1 . 2]" 1
518 1 39 THR HG1 1 39 THR MG 1.800 . 4.420 2.461 2.031 3.013 . 0 0 "[ . 1 . 2]" 1
519 1 39 THR MG 1 40 VAL H 1.800 . 4.570 3.720 3.331 3.953 . 0 0 "[ . 1 . 2]" 1
520 1 39 THR MG 1 41 ALA H 1.800 . 4.830 4.477 3.778 4.582 . 0 0 "[ . 1 . 2]" 1
521 1 39 THR MG 1 42 GLN QB 1.800 . 5.370 3.865 3.255 4.264 . 0 0 "[ . 1 . 2]" 1
522 1 39 THR MG 1 42 GLN HE21 1.800 . 5.570 4.304 2.597 5.577 0.007 7 0 "[ . 1 . 2]" 1
523 1 39 THR MG 1 42 GLN HE22 1.800 . 5.570 4.363 2.699 5.667 0.097 3 0 "[ . 1 . 2]" 1
524 1 39 THR MG 1 42 GLN QG 1.800 . 4.810 3.515 2.588 4.193 . 0 0 "[ . 1 . 2]" 1
525 1 39 THR MG 1 42 GLN H 1.800 . 5.040 4.174 3.684 4.375 . 0 0 "[ . 1 . 2]" 1
526 1 39 THR MG 1 77 ALA H 1.800 . 5.620 5.581 4.899 5.712 0.092 3 0 "[ . 1 . 2]" 1
527 1 39 THR MG 1 78 GLN QE 1.800 . 5.870 4.257 3.757 5.315 . 0 0 "[ . 1 . 2]" 1
528 1 39 THR MG 1 78 GLN HG3 1.800 . 5.160 4.155 3.845 4.521 . 0 0 "[ . 1 . 2]" 1
529 1 39 THR MG 1 78 GLN HG2 1.800 . 5.160 3.201 2.930 3.516 . 0 0 "[ . 1 . 2]" 1
530 1 39 THR MG 1 79 LEU H 1.800 . 5.180 4.475 4.210 4.680 . 0 0 "[ . 1 . 2]" 1
531 1 39 THR H 1 39 THR MG 1.800 . 3.320 2.278 1.915 2.657 . 0 0 "[ . 1 . 2]" 1
532 1 39 THR H 1 41 ALA MB 1.800 . 6.050 5.356 4.502 5.554 . 0 0 "[ . 1 . 2]" 1
533 1 39 THR H 1 42 GLN HA 1.800 . 5.600 5.445 4.985 5.619 0.019 12 0 "[ . 1 . 2]" 1
534 1 39 THR H 1 42 GLN HB3 1.800 . 4.050 3.868 3.423 4.084 0.034 2 0 "[ . 1 . 2]" 1
535 1 39 THR H 1 42 GLN HB2 1.800 . 4.050 2.545 2.088 2.706 . 0 0 "[ . 1 . 2]" 1
536 1 39 THR H 1 42 GLN QG 1.800 . 4.990 3.366 2.484 3.814 . 0 0 "[ . 1 . 2]" 1
537 1 39 THR H 1 42 GLN H 1.800 . 4.430 3.898 3.278 4.074 . 0 0 "[ . 1 . 2]" 1
538 1 39 THR H 1 43 LEU QB 1.800 . 6.050 5.156 4.878 5.440 . 0 0 "[ . 1 . 2]" 1
539 1 39 THR H 1 43 LEU H 1.800 . 4.920 4.473 4.177 4.677 . 0 0 "[ . 1 . 2]" 1
540 1 40 VAL HA 1 40 VAL MG1 1.800 . 3.540 2.414 2.374 2.515 . 0 0 "[ . 1 . 2]" 1
541 1 40 VAL HA 1 40 VAL MG2 1.800 . 3.400 2.328 2.280 2.398 . 0 0 "[ . 1 . 2]" 1
542 1 40 VAL HA 1 42 GLN H 1.800 . 5.160 4.444 4.328 4.531 . 0 0 "[ . 1 . 2]" 1
543 1 40 VAL HA 1 43 LEU HB3 1.800 . 4.380 2.652 2.449 2.842 . 0 0 "[ . 1 . 2]" 1
544 1 40 VAL HA 1 43 LEU HB2 1.800 . 4.380 3.257 3.064 3.536 . 0 0 "[ . 1 . 2]" 1
545 1 40 VAL HA 1 43 LEU MD1 1.800 . 6.030 5.003 4.794 5.159 . 0 0 "[ . 1 . 2]" 1
546 1 40 VAL HA 1 43 LEU MD2 1.800 . 4.130 3.361 3.148 3.518 . 0 0 "[ . 1 . 2]" 1
547 1 40 VAL HA 1 43 LEU H 1.800 . 4.100 3.358 3.272 3.439 . 0 0 "[ . 1 . 2]" 1
548 1 40 VAL HA 1 44 LYS H 1.800 . 4.840 4.190 3.894 4.424 . 0 0 "[ . 1 . 2]" 1
549 1 40 VAL HB 1 41 ALA HA 1.800 . 5.170 4.385 4.151 4.456 . 0 0 "[ . 1 . 2]" 1
550 1 40 VAL HB 1 41 ALA MB 1.800 . 4.750 4.025 3.775 4.110 . 0 0 "[ . 1 . 2]" 1
551 1 40 VAL HB 1 41 ALA H 1.800 . 3.720 2.540 2.319 2.572 . 0 0 "[ . 1 . 2]" 1
552 1 40 VAL HB 1 72 MET QB 1.800 . 5.080 4.300 4.035 4.583 . 0 0 "[ . 1 . 2]" 1
553 1 40 VAL HB 1 75 ASN HA 1.800 . 4.110 2.318 2.270 2.335 . 0 0 "[ . 1 . 2]" 1
554 1 40 VAL HB 1 77 ALA H 1.800 . 4.710 4.109 3.687 4.539 . 0 0 "[ . 1 . 2]" 1
555 1 40 VAL MG1 1 41 ALA HA 1.800 . 4.660 3.325 3.238 3.540 . 0 0 "[ . 1 . 2]" 1
556 1 40 VAL MG1 1 41 ALA H 1.800 . 4.210 3.241 3.153 3.324 . 0 0 "[ . 1 . 2]" 1
557 1 40 VAL MG1 1 42 GLN H 1.800 . 6.050 4.935 4.827 5.067 . 0 0 "[ . 1 . 2]" 1
558 1 40 VAL MG1 1 43 LEU H 1.800 . 5.460 4.505 4.409 4.606 . 0 0 "[ . 1 . 2]" 1
559 1 40 VAL MG1 1 44 LYS QD 1.800 . 5.260 3.220 2.458 4.489 . 0 0 "[ . 1 . 2]" 1
560 1 40 VAL MG1 1 44 LYS QE 1.800 . 3.420 2.353 2.062 3.259 . 0 0 "[ . 1 . 2]" 1
561 1 40 VAL MG1 1 44 LYS H 1.800 . 4.920 3.939 3.559 4.150 . 0 0 "[ . 1 . 2]" 1
562 1 40 VAL MG1 1 72 MET HA 1.800 . 5.160 4.453 4.121 4.807 . 0 0 "[ . 1 . 2]" 1
563 1 40 VAL MG1 1 72 MET HB3 1.800 . 4.380 2.353 2.215 2.596 . 0 0 "[ . 1 . 2]" 1
564 1 40 VAL MG1 1 72 MET HB2 1.800 . 4.380 3.172 2.859 3.433 . 0 0 "[ . 1 . 2]" 1
565 1 40 VAL MG1 1 72 MET H 1.800 . 5.750 5.161 4.812 5.407 . 0 0 "[ . 1 . 2]" 1
566 1 40 VAL MG1 1 75 ASN HA 1.800 . 3.630 2.890 2.349 3.478 . 0 0 "[ . 1 . 2]" 1
567 1 40 VAL MG1 1 75 ASN QB 1.800 . 5.170 3.954 3.087 4.633 . 0 0 "[ . 1 . 2]" 1
568 1 40 VAL MG1 1 75 ASN H 1.800 . 6.020 4.864 4.588 5.191 . 0 0 "[ . 1 . 2]" 1
569 1 40 VAL MG1 1 82 TYR QD 1.800 . 5.520 5.358 5.133 5.526 0.006 14 0 "[ . 1 . 2]" 1
570 1 40 VAL MG2 1 41 ALA H 1.800 . 4.600 3.887 3.638 3.945 . 0 0 "[ . 1 . 2]" 1
571 1 40 VAL MG2 1 74 ASN H 1.800 . 4.990 4.379 3.787 4.946 . 0 0 "[ . 1 . 2]" 1
572 1 40 VAL MG2 1 75 ASN HA 1.800 . 4.080 3.298 3.051 3.543 . 0 0 "[ . 1 . 2]" 1
573 1 40 VAL MG2 1 77 ALA H 1.800 . 4.140 3.554 3.186 3.932 . 0 0 "[ . 1 . 2]" 1
574 1 40 VAL MG2 1 78 GLN HA 1.800 . 5.470 3.916 3.526 4.221 . 0 0 "[ . 1 . 2]" 1
575 1 40 VAL MG2 1 79 LEU HA 1.800 . 4.250 3.392 2.993 3.918 . 0 0 "[ . 1 . 2]" 1
576 1 40 VAL MG2 1 79 LEU H 1.800 . 5.350 4.309 3.873 4.777 . 0 0 "[ . 1 . 2]" 1
577 1 40 VAL MG2 1 82 TYR QD 1.800 . 3.650 3.551 3.321 3.689 0.039 2 0 "[ . 1 . 2]" 1
578 1 40 VAL MG2 1 82 TYR QE 1.800 . 3.490 3.323 2.971 3.508 0.018 19 0 "[ . 1 . 2]" 1
579 1 40 VAL H 1 40 VAL HB 1.800 . 3.520 2.394 2.346 2.433 . 0 0 "[ . 1 . 2]" 1
580 1 40 VAL H 1 40 VAL MG1 1.800 . 4.500 3.743 3.728 3.753 . 0 0 "[ . 1 . 2]" 1
581 1 40 VAL H 1 40 VAL MG2 1.800 . 3.420 2.214 2.146 2.311 . 0 0 "[ . 1 . 2]" 1
582 1 40 VAL H 1 41 ALA MB 1.800 . 5.260 4.324 3.696 4.399 . 0 0 "[ . 1 . 2]" 1
583 1 40 VAL H 1 41 ALA H 1.800 . 4.230 2.672 2.153 2.734 . 0 0 "[ . 1 . 2]" 1
584 1 40 VAL H 1 42 GLN H 1.800 . 5.300 4.187 3.937 4.257 . 0 0 "[ . 1 . 2]" 1
585 1 40 VAL H 1 75 ASN HA 1.800 . 4.630 4.282 3.685 4.616 . 0 0 "[ . 1 . 2]" 1
586 1 40 VAL H 1 77 ALA MB 1.800 . 5.080 4.470 4.211 4.701 . 0 0 "[ . 1 . 2]" 1
587 1 40 VAL H 1 77 ALA H 1.800 . 4.700 4.455 3.953 4.722 0.022 12 0 "[ . 1 . 2]" 1
588 1 40 VAL H 1 79 LEU H 1.800 . 5.420 4.607 4.171 4.966 . 0 0 "[ . 1 . 2]" 1
589 1 41 ALA HA 1 44 LYS QB 1.800 . 4.280 2.889 2.699 3.035 . 0 0 "[ . 1 . 2]" 1
590 1 41 ALA HA 1 44 LYS QD 1.800 . 4.250 2.824 2.471 3.909 . 0 0 "[ . 1 . 2]" 1
591 1 41 ALA HA 1 44 LYS QE 1.800 . 5.780 4.119 3.394 4.838 . 0 0 "[ . 1 . 2]" 1
592 1 41 ALA HA 1 44 LYS QG 1.800 . 5.030 3.615 3.199 4.824 . 0 0 "[ . 1 . 2]" 1
593 1 41 ALA HA 1 44 LYS H 1.800 . 4.470 3.495 3.336 3.707 . 0 0 "[ . 1 . 2]" 1
594 1 41 ALA MB 1 42 GLN QB 1.800 . 5.300 4.189 3.851 4.314 . 0 0 "[ . 1 . 2]" 1
595 1 41 ALA MB 1 42 GLN H 1.800 . 3.420 2.451 2.241 2.525 . 0 0 "[ . 1 . 2]" 1
596 1 41 ALA MB 1 43 LEU H 1.800 . 5.520 4.419 4.298 4.517 . 0 0 "[ . 1 . 2]" 1
597 1 41 ALA MB 1 44 LYS H 1.800 . 5.810 4.624 4.535 4.723 . 0 0 "[ . 1 . 2]" 1
598 1 41 ALA MB 1 75 ASN HA 1.800 . 4.570 4.174 3.828 4.583 0.013 17 0 "[ . 1 . 2]" 1
599 1 41 ALA MB 1 75 ASN QB 1.800 . 3.270 3.024 2.588 3.318 0.048 16 0 "[ . 1 . 2]" 1
600 1 41 ALA MB 1 75 ASN HD21 1.800 . 5.220 4.457 2.912 5.039 . 0 0 "[ . 1 . 2]" 1
601 1 41 ALA MB 1 75 ASN HD22 1.800 . 5.220 4.960 2.312 5.260 0.040 18 0 "[ . 1 . 2]" 1
602 1 41 ALA MB 1 75 ASN H 1.800 . 6.050 6.021 5.577 6.126 0.076 15 0 "[ . 1 . 2]" 1
603 1 41 ALA H 1 41 ALA MB 1.800 . 3.180 2.227 2.113 2.254 . 0 0 "[ . 1 . 2]" 1
604 1 41 ALA H 1 42 GLN H 1.800 . 3.820 2.755 2.681 2.917 . 0 0 "[ . 1 . 2]" 1
605 1 41 ALA H 1 43 LEU H 1.800 . 5.100 4.084 4.026 4.212 . 0 0 "[ . 1 . 2]" 1
606 1 41 ALA H 1 75 ASN HA 1.800 . 4.360 3.807 3.310 4.143 . 0 0 "[ . 1 . 2]" 1
607 1 41 ALA H 1 75 ASN QB 1.800 . 4.730 3.953 3.732 4.276 . 0 0 "[ . 1 . 2]" 1
608 1 42 GLN HA 1 42 GLN HG3 1.800 . 3.920 3.026 2.438 3.714 . 0 0 "[ . 1 . 2]" 1
609 1 42 GLN HA 1 42 GLN HG2 1.800 . 3.920 2.735 2.425 3.620 . 0 0 "[ . 1 . 2]" 1
610 1 42 GLN HA 1 45 THR MG 1.800 . 4.470 3.705 2.124 4.374 . 0 0 "[ . 1 . 2]" 1
611 1 42 GLN HA 1 45 THR H 1.800 . 4.710 3.433 3.326 3.716 . 0 0 "[ . 1 . 2]" 1
612 1 42 GLN QB 1 43 LEU QB 1.800 . 5.790 3.994 3.887 4.097 . 0 0 "[ . 1 . 2]" 1
613 1 42 GLN QB 1 43 LEU H 1.800 . 4.300 2.640 2.503 2.780 . 0 0 "[ . 1 . 2]" 1
614 1 42 GLN QG 1 43 LEU H 1.800 . 5.460 4.190 4.024 4.610 . 0 0 "[ . 1 . 2]" 1
615 1 42 GLN H 1 42 GLN HB3 1.800 . 4.100 3.586 3.484 3.611 . 0 0 "[ . 1 . 2]" 1
616 1 42 GLN H 1 42 GLN HB2 1.800 . 4.100 2.368 2.144 2.462 . 0 0 "[ . 1 . 2]" 1
617 1 42 GLN H 1 42 GLN QG 1.800 . 3.620 2.474 2.162 3.635 0.015 7 0 "[ . 1 . 2]" 1
618 1 42 GLN H 1 43 LEU H 1.800 . 3.580 2.610 2.573 2.675 . 0 0 "[ . 1 . 2]" 1
619 1 42 GLN H 1 44 LYS H 1.800 . 5.650 4.187 4.042 4.261 . 0 0 "[ . 1 . 2]" 1
620 1 43 LEU HA 1 43 LEU MD1 1.800 . 3.260 2.099 2.074 2.133 . 0 0 "[ . 1 . 2]" 1
621 1 43 LEU HA 1 43 LEU MD2 1.800 . 4.580 3.808 3.794 3.840 . 0 0 "[ . 1 . 2]" 1
622 1 43 LEU HA 1 46 LYS HB3 1.800 . 5.420 4.212 2.577 4.773 . 0 0 "[ . 1 . 2]" 1
623 1 43 LEU HA 1 46 LYS HB2 1.800 . 5.420 3.047 2.528 3.758 . 0 0 "[ . 1 . 2]" 1
624 1 43 LEU HA 1 46 LYS QD 1.800 . 4.250 2.992 2.445 4.164 . 0 0 "[ . 1 . 2]" 1
625 1 43 LEU HA 1 46 LYS H 1.800 . 4.300 3.484 3.352 3.561 . 0 0 "[ . 1 . 2]" 1
626 1 43 LEU HA 1 47 LEU HG 1.800 . 5.870 4.140 3.712 4.299 . 0 0 "[ . 1 . 2]" 1
627 1 43 LEU HA 1 47 LEU H 1.800 . 5.360 4.101 3.722 4.266 . 0 0 "[ . 1 . 2]" 1
628 1 43 LEU QB 1 47 LEU MD1 1.800 . 5.150 3.736 3.573 3.843 . 0 0 "[ . 1 . 2]" 1
629 1 43 LEU HB3 1 43 LEU MD1 1.800 . 3.810 3.213 3.207 3.219 . 0 0 "[ . 1 . 2]" 1
630 1 43 LEU HB3 1 43 LEU MD2 1.800 . 3.620 2.325 2.261 2.371 . 0 0 "[ . 1 . 2]" 1
631 1 43 LEU HB3 1 44 LYS H 1.800 . 4.890 2.577 2.507 2.687 . 0 0 "[ . 1 . 2]" 1
632 1 43 LEU HB2 1 43 LEU MD1 1.800 . 3.810 2.326 2.268 2.357 . 0 0 "[ . 1 . 2]" 1
633 1 43 LEU HB2 1 43 LEU MD2 1.800 . 3.620 2.384 2.323 2.492 . 0 0 "[ . 1 . 2]" 1
634 1 43 LEU HB2 1 44 LYS H 1.800 . 4.890 3.883 3.817 3.938 . 0 0 "[ . 1 . 2]" 1
635 1 43 LEU MD1 1 44 LYS H 1.800 . 5.480 4.402 4.296 4.532 . 0 0 "[ . 1 . 2]" 1
636 1 43 LEU MD1 1 46 LYS QD 1.800 . 3.700 2.979 2.660 3.189 . 0 0 "[ . 1 . 2]" 1
637 1 43 LEU MD1 1 46 LYS H 1.800 . 4.640 4.305 4.020 4.610 . 0 0 "[ . 1 . 2]" 1
638 1 43 LEU MD1 1 47 LEU HG 1.800 . 3.510 2.582 2.289 2.965 . 0 0 "[ . 1 . 2]" 1
639 1 43 LEU MD1 1 47 LEU H 1.800 . 4.740 3.636 3.437 3.959 . 0 0 "[ . 1 . 2]" 1
640 1 43 LEU MD2 1 44 LYS H 1.800 . 4.770 4.339 4.230 4.442 . 0 0 "[ . 1 . 2]" 1
641 1 43 LEU MD2 1 47 LEU MD1 1.800 . 3.190 2.684 2.451 2.906 . 0 0 "[ . 1 . 2]" 1
642 1 43 LEU MD2 1 47 LEU HG 1.800 . 5.120 4.173 3.906 4.324 . 0 0 "[ . 1 . 2]" 1
643 1 43 LEU MD2 1 72 MET ME 1.800 . 3.450 2.901 2.574 3.141 . 0 0 "[ . 1 . 2]" 1
644 1 43 LEU HG 1 44 LYS H 1.800 . 4.130 3.699 3.576 3.844 . 0 0 "[ . 1 . 2]" 1
645 1 43 LEU HG 1 47 LEU MD1 1.800 . 3.520 2.131 2.066 2.272 . 0 0 "[ . 1 . 2]" 1
646 1 43 LEU HG 1 47 LEU HG 1.800 . 4.400 2.912 2.626 3.132 . 0 0 "[ . 1 . 2]" 1
647 1 43 LEU H 1 43 LEU HB3 1.800 . 3.560 2.525 2.482 2.621 . 0 0 "[ . 1 . 2]" 1
648 1 43 LEU H 1 43 LEU HB2 1.800 . 3.560 2.575 2.510 2.632 . 0 0 "[ . 1 . 2]" 1
649 1 43 LEU H 1 43 LEU MD1 1.800 . 4.820 4.053 4.010 4.086 . 0 0 "[ . 1 . 2]" 1
650 1 43 LEU H 1 43 LEU MD2 1.800 . 4.770 4.291 4.264 4.338 . 0 0 "[ . 1 . 2]" 1
651 1 43 LEU H 1 43 LEU HG 1.800 . 5.620 4.467 4.443 4.505 . 0 0 "[ . 1 . 2]" 1
652 1 43 LEU H 1 44 LYS H 1.800 . 3.820 2.680 2.557 2.752 . 0 0 "[ . 1 . 2]" 1
653 1 43 LEU H 1 45 THR H 1.800 . 5.410 4.176 4.078 4.318 . 0 0 "[ . 1 . 2]" 1
654 1 44 LYS HA 1 44 LYS QG 1.800 . 3.500 2.303 2.238 2.330 . 0 0 "[ . 1 . 2]" 1
655 1 44 LYS HA 1 47 LEU HB3 1.800 . 4.930 4.168 3.988 4.623 . 0 0 "[ . 1 . 2]" 1
656 1 44 LYS HA 1 47 LEU HB2 1.800 . 4.930 2.546 2.383 2.976 . 0 0 "[ . 1 . 2]" 1
657 1 44 LYS HA 1 47 LEU MD1 1.800 . 3.710 2.511 2.303 3.024 . 0 0 "[ . 1 . 2]" 1
658 1 44 LYS HA 1 47 LEU HG 1.800 . 5.500 3.796 3.605 4.291 . 0 0 "[ . 1 . 2]" 1
659 1 44 LYS HA 1 47 LEU H 1.800 . 4.500 3.451 3.350 3.740 . 0 0 "[ . 1 . 2]" 1
660 1 44 LYS HA 1 48 GLU H 1.800 . 5.360 3.854 3.691 4.175 . 0 0 "[ . 1 . 2]" 1
661 1 44 LYS QB 1 44 LYS QE 1.800 . 5.060 3.431 2.154 3.654 . 0 0 "[ . 1 . 2]" 1
662 1 44 LYS QB 1 55 ALA HA 1.800 . 4.970 3.644 2.659 4.977 0.007 2 0 "[ . 1 . 2]" 1
663 1 44 LYS HB3 1 45 THR H 1.800 . 4.220 3.436 2.535 3.617 . 0 0 "[ . 1 . 2]" 1
664 1 44 LYS HB2 1 45 THR H 1.800 . 4.220 2.766 2.505 3.698 . 0 0 "[ . 1 . 2]" 1
665 1 44 LYS QD 1 60 VAL MG2 1.800 . 4.950 4.046 2.911 4.761 . 0 0 "[ . 1 . 2]" 1
666 1 44 LYS QD 1 60 VAL H 1.800 . 6.050 5.484 4.911 6.004 . 0 0 "[ . 1 . 2]" 1
667 1 44 LYS QE 1 60 VAL MG2 1.800 . 3.860 2.901 2.110 3.757 . 0 0 "[ . 1 . 2]" 1
668 1 44 LYS QE 1 60 VAL H 1.800 . 5.170 3.602 2.870 4.541 . 0 0 "[ . 1 . 2]" 1
669 1 44 LYS QG 1 55 ALA HA 1.800 . 5.800 4.548 2.900 5.352 . 0 0 "[ . 1 . 2]" 1
670 1 44 LYS QG 1 58 MET QG 1.800 . 5.760 3.981 2.497 5.771 0.011 16 0 "[ . 1 . 2]" 1
671 1 44 LYS QG 1 60 VAL MG2 1.800 . 4.350 2.642 2.236 3.379 . 0 0 "[ . 1 . 2]" 1
672 1 44 LYS H 1 44 LYS QB 1.800 . 3.500 2.345 2.118 2.401 . 0 0 "[ . 1 . 2]" 1
673 1 44 LYS H 1 44 LYS QE 1.800 . 5.300 4.492 4.205 5.078 . 0 0 "[ . 1 . 2]" 1
674 1 44 LYS H 1 45 THR H 1.800 . 3.960 2.709 2.662 2.795 . 0 0 "[ . 1 . 2]" 1
675 1 44 LYS H 1 47 LEU MD1 1.800 . 4.930 4.157 3.934 4.509 . 0 0 "[ . 1 . 2]" 1
676 1 45 THR HA 1 45 THR MG 1.800 . 3.630 2.384 2.261 3.192 . 0 0 "[ . 1 . 2]" 1
677 1 45 THR HA 1 47 LEU H 1.800 . 5.800 4.558 4.439 4.654 . 0 0 "[ . 1 . 2]" 1
678 1 45 THR HA 1 48 GLU QB 1.800 . 4.210 2.570 2.390 2.651 . 0 0 "[ . 1 . 2]" 1
679 1 45 THR HA 1 48 GLU HG3 1.800 . 5.310 5.088 4.275 5.315 0.005 10 0 "[ . 1 . 2]" 1
680 1 45 THR HA 1 48 GLU HG2 1.800 . 5.310 4.978 3.966 5.213 . 0 0 "[ . 1 . 2]" 1
681 1 45 THR HA 1 48 GLU H 1.800 . 4.330 3.452 3.354 3.502 . 0 0 "[ . 1 . 2]" 1
682 1 45 THR HA 1 49 ILE H 1.800 . 5.720 4.420 4.259 4.548 . 0 0 "[ . 1 . 2]" 1
683 1 45 THR HA 1 55 ALA MB 1.800 . 4.050 3.315 2.658 3.727 . 0 0 "[ . 1 . 2]" 1
684 1 45 THR HB 1 46 LYS H 1.800 . 4.690 2.856 2.380 3.997 . 0 0 "[ . 1 . 2]" 1
685 1 45 THR MG 1 46 LYS H 1.800 . 4.360 3.485 1.932 3.960 . 0 0 "[ . 1 . 2]" 1
686 1 45 THR H 1 45 THR HB 1.800 . 3.410 2.903 2.492 3.592 0.182 4 0 "[ . 1 . 2]" 1
687 1 45 THR H 1 45 THR MG 1.800 . 3.840 3.150 1.743 3.764 0.057 8 0 "[ . 1 . 2]" 1
688 1 45 THR H 1 47 LEU H 1.800 . 5.380 4.170 4.105 4.260 . 0 0 "[ . 1 . 2]" 1
689 1 45 THR H 1 55 ALA MB 1.800 . 4.540 4.374 3.669 4.586 0.046 14 0 "[ . 1 . 2]" 1
690 1 46 LYS HA 1 46 LYS QD 1.800 . 4.620 4.018 3.952 4.173 . 0 0 "[ . 1 . 2]" 1
691 1 46 LYS HA 1 46 LYS HG3 1.800 . 4.290 2.847 2.450 2.996 . 0 0 "[ . 1 . 2]" 1
692 1 46 LYS HA 1 46 LYS HG2 1.800 . 4.290 2.565 2.429 3.025 . 0 0 "[ . 1 . 2]" 1
693 1 46 LYS HA 1 49 ILE HB 1.800 . 4.420 3.437 3.188 3.659 . 0 0 "[ . 1 . 2]" 1
694 1 46 LYS HA 1 49 ILE MD 1.800 . 4.440 3.061 2.316 4.594 0.154 16 0 "[ . 1 . 2]" 1
695 1 46 LYS HA 1 49 ILE HG13 1.800 . 5.720 3.906 2.970 4.346 . 0 0 "[ . 1 . 2]" 1
696 1 46 LYS HA 1 49 ILE HG12 1.800 . 5.720 5.012 3.035 5.705 . 0 0 "[ . 1 . 2]" 1
697 1 46 LYS HA 1 49 ILE H 1.800 . 4.680 3.676 3.495 3.811 . 0 0 "[ . 1 . 2]" 1
698 1 46 LYS QB 1 47 LEU H 1.800 . 4.020 2.464 2.363 2.540 . 0 0 "[ . 1 . 2]" 1
699 1 46 LYS HB3 1 46 LYS QD 1.800 . 4.180 2.442 2.355 2.870 . 0 0 "[ . 1 . 2]" 1
700 1 46 LYS HB2 1 46 LYS QD 1.800 . 4.180 2.442 2.297 2.864 . 0 0 "[ . 1 . 2]" 1
701 1 46 LYS QG 1 47 LEU H 1.800 . 5.130 3.961 3.543 4.127 . 0 0 "[ . 1 . 2]" 1
702 1 46 LYS H 1 46 LYS HB3 1.800 . 4.190 3.401 2.573 3.618 . 0 0 "[ . 1 . 2]" 1
703 1 46 LYS H 1 46 LYS HB2 1.800 . 4.190 2.441 2.381 2.486 . 0 0 "[ . 1 . 2]" 1
704 1 46 LYS H 1 46 LYS QD 1.800 . 4.580 3.904 3.617 4.663 0.083 18 0 "[ . 1 . 2]" 1
705 1 46 LYS H 1 46 LYS HG3 1.800 . 4.420 2.684 2.193 4.431 0.011 9 0 "[ . 1 . 2]" 1
706 1 46 LYS H 1 46 LYS HG2 1.800 . 4.420 3.701 3.438 4.486 0.066 7 0 "[ . 1 . 2]" 1
707 1 46 LYS H 1 47 LEU MD1 1.800 . 6.050 5.188 5.052 5.344 . 0 0 "[ . 1 . 2]" 1
708 1 46 LYS H 1 47 LEU MD2 1.800 . 5.820 5.612 5.538 5.672 . 0 0 "[ . 1 . 2]" 1
709 1 46 LYS H 1 47 LEU H 1.800 . 3.660 2.683 2.649 2.723 . 0 0 "[ . 1 . 2]" 1
710 1 46 LYS H 1 48 GLU H 1.800 . 5.030 4.025 3.917 4.069 . 0 0 "[ . 1 . 2]" 1
711 1 46 LYS H 1 49 ILE QG 1.800 . 6.150 5.372 4.670 5.733 . 0 0 "[ . 1 . 2]" 1
712 1 46 LYS H 1 58 MET ME 1.800 . 6.050 5.927 5.297 6.141 0.091 15 0 "[ . 1 . 2]" 1
713 1 47 LEU HA 1 47 LEU MD1 1.800 . 4.550 3.826 3.813 3.838 . 0 0 "[ . 1 . 2]" 1
714 1 47 LEU HA 1 47 LEU MD2 1.800 . 3.160 2.161 2.129 2.192 . 0 0 "[ . 1 . 2]" 1
715 1 47 LEU HA 1 49 ILE H 1.800 . 5.510 4.363 4.125 4.497 . 0 0 "[ . 1 . 2]" 1
716 1 47 LEU HA 1 50 LEU HB3 1.800 . 4.210 2.750 2.320 4.161 . 0 0 "[ . 1 . 2]" 1
717 1 47 LEU HA 1 50 LEU HB2 1.800 . 4.210 3.052 2.304 3.552 . 0 0 "[ . 1 . 2]" 1
718 1 47 LEU HA 1 50 LEU H 1.800 . 4.030 3.237 3.113 3.369 . 0 0 "[ . 1 . 2]" 1
719 1 47 LEU HA 1 51 THR H 1.800 . 4.920 3.758 3.651 4.151 . 0 0 "[ . 1 . 2]" 1
720 1 47 LEU QB 1 47 LEU MD2 1.800 . 3.340 2.201 2.183 2.217 . 0 0 "[ . 1 . 2]" 1
721 1 47 LEU QB 1 50 LEU H 1.800 . 6.050 4.722 4.604 4.859 . 0 0 "[ . 1 . 2]" 1
722 1 47 LEU QB 1 92 VAL MG2 1.800 . 4.220 2.917 2.747 3.230 . 0 0 "[ . 1 . 2]" 1
723 1 47 LEU HB3 1 47 LEU MD1 1.800 . 3.720 2.438 2.393 2.471 . 0 0 "[ . 1 . 2]" 1
724 1 47 LEU HB3 1 48 GLU H 1.800 . 4.660 3.629 3.592 3.718 . 0 0 "[ . 1 . 2]" 1
725 1 47 LEU HB3 1 58 MET ME 1.800 . 3.850 2.567 2.332 3.046 . 0 0 "[ . 1 . 2]" 1
726 1 47 LEU HB2 1 47 LEU MD1 1.800 . 3.720 2.292 2.245 2.335 . 0 0 "[ . 1 . 2]" 1
727 1 47 LEU HB2 1 48 GLU H 1.800 . 4.660 2.658 2.615 2.751 . 0 0 "[ . 1 . 2]" 1
728 1 47 LEU HB2 1 58 MET ME 1.800 . 3.850 2.595 2.329 2.890 . 0 0 "[ . 1 . 2]" 1
729 1 47 LEU MD1 1 48 GLU H 1.800 . 5.710 4.501 4.437 4.595 . 0 0 "[ . 1 . 2]" 1
730 1 47 LEU MD1 1 58 MET ME 1.800 . 3.870 3.574 3.130 3.819 . 0 0 "[ . 1 . 2]" 1
731 1 47 LEU MD1 1 92 VAL HA 1.800 . 5.380 4.504 4.151 5.068 . 0 0 "[ . 1 . 2]" 1
732 1 47 LEU MD1 1 92 VAL MG2 1.800 . 2.990 2.173 2.015 2.645 . 0 0 "[ . 1 . 2]" 1
733 1 47 LEU MD2 1 48 GLU H 1.800 . 5.680 4.723 4.703 4.752 . 0 0 "[ . 1 . 2]" 1
734 1 47 LEU MD2 1 50 LEU H 1.800 . 6.050 4.744 4.590 4.841 . 0 0 "[ . 1 . 2]" 1
735 1 47 LEU HG 1 92 VAL MG2 1.800 . 5.780 4.430 4.183 4.833 . 0 0 "[ . 1 . 2]" 1
736 1 47 LEU H 1 47 LEU HB3 1.800 . 4.160 3.608 3.596 3.628 . 0 0 "[ . 1 . 2]" 1
737 1 47 LEU H 1 47 LEU HB2 1.800 . 4.160 2.429 2.401 2.464 . 0 0 "[ . 1 . 2]" 1
738 1 47 LEU H 1 47 LEU MD1 1.800 . 4.680 3.462 3.386 3.541 . 0 0 "[ . 1 . 2]" 1
739 1 47 LEU H 1 47 LEU MD2 1.800 . 4.300 3.545 3.488 3.597 . 0 0 "[ . 1 . 2]" 1
740 1 47 LEU H 1 47 LEU HG 1.800 . 3.840 2.266 2.230 2.310 . 0 0 "[ . 1 . 2]" 1
741 1 47 LEU H 1 48 GLU QB 1.800 . 5.370 4.368 4.333 4.402 . 0 0 "[ . 1 . 2]" 1
742 1 47 LEU H 1 48 GLU H 1.800 . 3.750 2.624 2.588 2.647 . 0 0 "[ . 1 . 2]" 1
743 1 47 LEU H 1 58 MET ME 1.800 . 4.590 4.281 3.976 4.529 . 0 0 "[ . 1 . 2]" 1
744 1 48 GLU HA 1 48 GLU HG3 1.800 . 4.310 2.571 2.429 3.579 . 0 0 "[ . 1 . 2]" 1
745 1 48 GLU HA 1 48 GLU HG2 1.800 . 4.310 3.034 2.295 3.751 . 0 0 "[ . 1 . 2]" 1
746 1 48 GLU HA 1 51 THR H 1.800 . 5.320 3.639 3.240 3.793 . 0 0 "[ . 1 . 2]" 1
747 1 48 GLU HA 1 52 GLY H 1.800 . 4.220 3.603 2.278 3.979 . 0 0 "[ . 1 . 2]" 1
748 1 48 GLU HA 1 53 GLY H 1.800 . 4.640 3.371 2.810 3.924 . 0 0 "[ . 1 . 2]" 1
749 1 48 GLU HA 1 58 MET ME 1.800 . 3.710 2.186 2.027 2.428 . 0 0 "[ . 1 . 2]" 1
750 1 48 GLU QB 1 49 ILE MD 1.800 . 6.050 4.188 2.957 4.581 . 0 0 "[ . 1 . 2]" 1
751 1 48 GLU QB 1 49 ILE MG 1.800 . 6.050 5.154 5.066 5.282 . 0 0 "[ . 1 . 2]" 1
752 1 48 GLU QB 1 49 ILE H 1.800 . 3.980 2.402 2.274 2.592 . 0 0 "[ . 1 . 2]" 1
753 1 48 GLU QB 1 50 LEU H 1.800 . 5.760 4.675 4.603 4.789 . 0 0 "[ . 1 . 2]" 1
754 1 48 GLU QB 1 54 CYS HA 1.800 . 5.000 4.847 3.971 5.129 0.129 15 0 "[ . 1 . 2]" 1
755 1 48 GLU QB 1 55 ALA HA 1.800 . 4.820 3.650 3.333 4.015 . 0 0 "[ . 1 . 2]" 1
756 1 48 GLU QB 1 55 ALA MB 1.800 . 4.440 2.376 2.268 2.783 . 0 0 "[ . 1 . 2]" 1
757 1 48 GLU QB 1 55 ALA H 1.800 . 4.370 3.669 2.972 3.894 . 0 0 "[ . 1 . 2]" 1
758 1 48 GLU QG 1 49 ILE MD 1.800 . 6.050 4.969 2.858 5.705 . 0 0 "[ . 1 . 2]" 1
759 1 48 GLU QG 1 55 ALA HA 1.800 . 5.060 4.062 3.391 5.092 0.032 16 0 "[ . 1 . 2]" 1
760 1 48 GLU HG3 1 49 ILE H 1.800 . 5.370 4.585 3.449 4.794 . 0 0 "[ . 1 . 2]" 1
761 1 48 GLU HG3 1 54 CYS HA 1.800 . 5.320 3.342 2.456 4.921 . 0 0 "[ . 1 . 2]" 1
762 1 48 GLU HG3 1 55 ALA MB 1.800 . 4.910 3.401 2.700 4.695 . 0 0 "[ . 1 . 2]" 1
763 1 48 GLU HG3 1 55 ALA H 1.800 . 5.070 3.017 2.433 4.800 . 0 0 "[ . 1 . 2]" 1
764 1 48 GLU HG3 1 58 MET ME 1.800 . 5.200 3.486 2.981 4.890 . 0 0 "[ . 1 . 2]" 1
765 1 48 GLU HG2 1 49 ILE H 1.800 . 5.370 3.842 3.626 4.634 . 0 0 "[ . 1 . 2]" 1
766 1 48 GLU HG2 1 54 CYS HA 1.800 . 5.320 4.300 3.140 5.114 . 0 0 "[ . 1 . 2]" 1
767 1 48 GLU HG2 1 55 ALA MB 1.800 . 4.910 4.112 2.800 4.732 . 0 0 "[ . 1 . 2]" 1
768 1 48 GLU HG2 1 55 ALA H 1.800 . 5.070 4.091 2.987 4.691 . 0 0 "[ . 1 . 2]" 1
769 1 48 GLU HG2 1 58 MET ME 1.800 . 5.200 4.365 2.988 5.144 . 0 0 "[ . 1 . 2]" 1
770 1 48 GLU H 1 48 GLU QB 1.800 . 3.220 2.258 2.240 2.284 . 0 0 "[ . 1 . 2]" 1
771 1 48 GLU H 1 48 GLU QG 1.800 . 4.390 3.974 3.942 4.067 . 0 0 "[ . 1 . 2]" 1
772 1 48 GLU H 1 49 ILE H 1.800 . 3.880 2.854 2.710 2.948 . 0 0 "[ . 1 . 2]" 1
773 1 48 GLU H 1 50 LEU H 1.800 . 5.280 4.214 4.082 4.376 . 0 0 "[ . 1 . 2]" 1
774 1 48 GLU H 1 55 ALA MB 1.800 . 4.740 4.251 3.723 4.559 . 0 0 "[ . 1 . 2]" 1
775 1 48 GLU H 1 58 MET ME 1.800 . 3.890 2.776 2.369 2.975 . 0 0 "[ . 1 . 2]" 1
776 1 49 ILE HA 1 49 ILE MD 1.800 . 4.430 3.576 2.086 3.881 . 0 0 "[ . 1 . 2]" 1
777 1 49 ILE HA 1 49 ILE HG13 1.800 . 3.960 2.989 2.802 3.822 . 0 0 "[ . 1 . 2]" 1
778 1 49 ILE HA 1 49 ILE HG12 1.800 . 3.960 2.650 2.531 3.260 . 0 0 "[ . 1 . 2]" 1
779 1 49 ILE HA 1 49 ILE MG 1.800 . 3.310 2.360 2.288 2.401 . 0 0 "[ . 1 . 2]" 1
780 1 49 ILE HA 1 51 THR H 1.800 . 5.060 4.556 4.474 4.707 . 0 0 "[ . 1 . 2]" 1
781 1 49 ILE HB 1 49 ILE MD 1.800 . 3.370 2.424 2.244 3.211 . 0 0 "[ . 1 . 2]" 1
782 1 49 ILE HB 1 50 LEU QB 1.800 . 5.320 4.105 3.941 4.504 . 0 0 "[ . 1 . 2]" 1
783 1 49 ILE HB 1 50 LEU H 1.800 . 3.640 2.527 2.399 2.603 . 0 0 "[ . 1 . 2]" 1
784 1 49 ILE MD 1 50 LEU H 1.800 . 5.370 4.409 4.241 4.745 . 0 0 "[ . 1 . 2]" 1
785 1 49 ILE HG13 1 50 LEU H 1.800 . 5.490 4.336 4.017 4.836 . 0 0 "[ . 1 . 2]" 1
786 1 49 ILE HG12 1 50 LEU H 1.800 . 5.490 4.849 3.942 5.047 . 0 0 "[ . 1 . 2]" 1
787 1 49 ILE HG13 1 49 ILE MG 1.800 . 3.550 3.068 2.272 3.196 . 0 0 "[ . 1 . 2]" 1
788 1 49 ILE HG12 1 49 ILE MG 1.800 . 3.550 2.456 2.286 3.199 . 0 0 "[ . 1 . 2]" 1
789 1 49 ILE MG 1 50 LEU HA 1.800 . 5.030 3.426 3.303 3.640 . 0 0 "[ . 1 . 2]" 1
790 1 49 ILE MG 1 50 LEU H 1.800 . 4.440 3.350 3.263 3.539 . 0 0 "[ . 1 . 2]" 1
791 1 49 ILE MG 1 51 THR H 1.800 . 5.810 5.067 4.983 5.256 . 0 0 "[ . 1 . 2]" 1
792 1 49 ILE MG 1 52 GLY H 1.800 . 6.050 4.695 4.438 5.799 . 0 0 "[ . 1 . 2]" 1
793 1 49 ILE H 1 49 ILE HB 1.800 . 3.260 2.479 2.410 2.633 . 0 0 "[ . 1 . 2]" 1
794 1 49 ILE H 1 49 ILE MD 1.800 . 4.280 3.355 2.760 3.562 . 0 0 "[ . 1 . 2]" 1
795 1 49 ILE H 1 49 ILE HG13 1.800 . 3.870 2.373 1.931 3.534 . 0 0 "[ . 1 . 2]" 1
796 1 49 ILE H 1 49 ILE HG12 1.800 . 3.870 3.323 1.907 3.643 . 0 0 "[ . 1 . 2]" 1
797 1 49 ILE H 1 49 ILE MG 1.800 . 4.290 3.762 3.750 3.782 . 0 0 "[ . 1 . 2]" 1
798 1 49 ILE H 1 50 LEU QB 1.800 . 5.510 4.423 4.282 4.586 . 0 0 "[ . 1 . 2]" 1
799 1 49 ILE H 1 50 LEU H 1.800 . 3.560 2.662 2.560 2.748 . 0 0 "[ . 1 . 2]" 1
800 1 49 ILE H 1 58 MET ME 1.800 . 5.440 4.629 4.407 4.917 . 0 0 "[ . 1 . 2]" 1
801 1 50 LEU HA 1 50 LEU MD1 1.800 . 4.310 2.582 2.076 3.804 . 0 0 "[ . 1 . 2]" 1
802 1 50 LEU HA 1 50 LEU MD2 1.800 . 4.220 3.295 2.161 3.823 . 0 0 "[ . 1 . 2]" 1
803 1 50 LEU QB 1 50 LEU MD1 1.800 . 3.420 2.235 2.112 2.350 . 0 0 "[ . 1 . 2]" 1
804 1 50 LEU QB 1 52 GLY H 1.800 . 6.050 4.402 4.285 4.581 . 0 0 "[ . 1 . 2]" 1
805 1 50 LEU HB3 1 50 LEU MD2 1.800 . 3.500 2.416 2.192 3.213 . 0 0 "[ . 1 . 2]" 1
806 1 50 LEU HB3 1 51 THR MG 1.800 . 4.840 2.935 2.591 3.397 . 0 0 "[ . 1 . 2]" 1
807 1 50 LEU HB3 1 51 THR H 1.800 . 4.290 2.735 2.512 3.437 . 0 0 "[ . 1 . 2]" 1
808 1 50 LEU HB2 1 50 LEU MD2 1.800 . 3.500 2.566 2.230 3.185 . 0 0 "[ . 1 . 2]" 1
809 1 50 LEU HB2 1 51 THR MG 1.800 . 4.840 4.126 2.953 4.651 . 0 0 "[ . 1 . 2]" 1
810 1 50 LEU HB2 1 51 THR H 1.800 . 4.290 3.616 2.686 3.938 . 0 0 "[ . 1 . 2]" 1
811 1 50 LEU MD1 1 51 THR H 1.800 . 5.470 4.361 3.560 4.811 . 0 0 "[ . 1 . 2]" 1
812 1 50 LEU HG 1 51 THR H 1.800 . 5.570 4.039 3.553 4.841 . 0 0 "[ . 1 . 2]" 1
813 1 50 LEU H 1 50 LEU HB3 1.800 . 3.850 2.770 2.479 3.573 . 0 0 "[ . 1 . 2]" 1
814 1 50 LEU H 1 50 LEU HB2 1.800 . 3.850 2.465 2.200 2.615 . 0 0 "[ . 1 . 2]" 1
815 1 50 LEU H 1 50 LEU MD1 1.800 . 4.260 3.923 3.226 4.255 . 0 0 "[ . 1 . 2]" 1
816 1 50 LEU H 1 50 LEU MD2 1.800 . 4.800 4.142 3.553 4.307 . 0 0 "[ . 1 . 2]" 1
817 1 50 LEU H 1 50 LEU HG 1.800 . 4.740 4.109 2.565 4.599 . 0 0 "[ . 1 . 2]" 1
818 1 50 LEU H 1 51 THR MG 1.800 . 4.760 4.371 4.105 4.696 . 0 0 "[ . 1 . 2]" 1
819 1 50 LEU H 1 51 THR H 1.800 . 3.700 2.747 2.697 2.796 . 0 0 "[ . 1 . 2]" 1
820 1 50 LEU H 1 52 GLY H 1.800 . 4.770 3.783 3.679 4.269 . 0 0 "[ . 1 . 2]" 1
821 1 51 THR HA 1 51 THR MG 1.800 . 3.340 2.354 2.253 2.456 . 0 0 "[ . 1 . 2]" 1
822 1 51 THR HA 1 53 GLY H 1.800 . 5.300 4.106 3.822 4.451 . 0 0 "[ . 1 . 2]" 1
823 1 51 THR HB 1 53 GLY H 1.800 . 4.870 3.126 2.667 3.552 . 0 0 "[ . 1 . 2]" 1
824 1 51 THR HB 1 92 VAL MG1 1.800 . 5.070 4.125 3.721 4.564 . 0 0 "[ . 1 . 2]" 1
825 1 51 THR MG 1 52 GLY H 1.800 . 4.510 3.995 3.772 4.199 . 0 0 "[ . 1 . 2]" 1
826 1 51 THR MG 1 53 GLY H 1.800 . 4.770 4.137 4.020 4.329 . 0 0 "[ . 1 . 2]" 1
827 1 51 THR MG 1 92 VAL HB 1.800 . 3.740 3.319 3.192 3.437 . 0 0 "[ . 1 . 2]" 1
828 1 51 THR MG 1 92 VAL H 1.800 . 5.220 5.276 5.159 5.353 0.133 3 0 "[ . 1 . 2]" 1
829 1 51 THR H 1 51 THR MG 1.800 . 3.630 2.406 2.167 2.707 . 0 0 "[ . 1 . 2]" 1
830 1 52 GLY H 1 53 GLY H 1.800 . 3.740 2.657 2.444 2.824 . 0 0 "[ . 1 . 2]" 1
831 1 52 GLY H 1 58 MET ME 1.800 . 5.160 4.701 3.149 5.232 0.072 7 0 "[ . 1 . 2]" 1
832 1 53 GLY HA3 1 54 CYS H 1.800 . 3.790 2.448 2.184 3.522 . 0 0 "[ . 1 . 2]" 1
833 1 53 GLY HA3 1 58 MET ME 1.800 . 5.620 3.972 3.270 4.541 . 0 0 "[ . 1 . 2]" 1
834 1 53 GLY QA 1 92 VAL MG1 1.800 . 6.050 5.131 4.570 5.655 . 0 0 "[ . 1 . 2]" 1
835 1 53 GLY HA2 1 54 CYS H 1.800 . 3.790 2.840 2.546 3.283 . 0 0 "[ . 1 . 2]" 1
836 1 53 GLY HA2 1 58 MET ME 1.800 . 5.620 5.275 4.712 5.729 0.109 16 0 "[ . 1 . 2]" 1
837 1 53 GLY H 1 54 CYS H 1.800 . 5.070 4.284 3.056 4.611 . 0 0 "[ . 1 . 2]" 1
838 1 53 GLY H 1 58 MET ME 1.800 . 4.790 3.922 2.788 4.603 . 0 0 "[ . 1 . 2]" 1
839 1 54 CYS HA 1 55 ALA H 1.800 . 3.190 2.166 2.121 2.193 . 0 0 "[ . 1 . 2]" 1
840 1 54 CYS HA 1 56 GLY H 1.800 . 5.280 3.731 3.527 4.004 . 0 0 "[ . 1 . 2]" 1
841 1 54 CYS HA 1 58 MET ME 1.800 . 5.000 4.816 4.314 5.115 0.115 16 0 "[ . 1 . 2]" 1
842 1 54 CYS QB 1 55 ALA H 1.800 . 4.490 3.621 3.216 3.916 . 0 0 "[ . 1 . 2]" 1
843 1 54 CYS QB 1 57 THR MG 1.800 . 4.750 2.697 1.971 3.923 . 0 0 "[ . 1 . 2]" 1
844 1 54 CYS QB 1 57 THR H 1.800 . 4.200 2.967 2.546 3.819 . 0 0 "[ . 1 . 2]" 1
845 1 54 CYS QB 1 58 MET H 1.800 . 5.330 4.195 2.929 4.907 . 0 0 "[ . 1 . 2]" 1
846 1 54 CYS H 1 54 CYS QB 1.800 . 3.420 2.519 2.240 3.458 0.038 12 0 "[ . 1 . 2]" 1
847 1 54 CYS H 1 55 ALA H 1.800 . 5.080 4.329 3.692 4.521 . 0 0 "[ . 1 . 2]" 1
848 1 54 CYS H 1 57 THR H 1.800 . 5.780 4.733 4.240 5.711 . 0 0 "[ . 1 . 2]" 1
849 1 54 CYS H 1 58 MET QB 1.800 . 5.540 4.026 2.394 4.774 . 0 0 "[ . 1 . 2]" 1
850 1 54 CYS H 1 58 MET ME 1.800 . 5.000 4.318 3.388 5.067 0.067 18 0 "[ . 1 . 2]" 1
851 1 54 CYS H 1 58 MET H 1.800 . 5.730 4.933 3.334 5.816 0.086 12 0 "[ . 1 . 2]" 1
852 1 54 CYS H 1 94 ASP QB 1.800 . 5.530 4.386 2.916 5.496 . 0 0 "[ . 1 . 2]" 1
853 1 55 ALA HA 1 58 MET ME 1.800 . 4.220 2.740 2.223 3.539 . 0 0 "[ . 1 . 2]" 1
854 1 55 ALA HA 1 58 MET HG3 1.800 . 4.760 4.301 2.321 5.080 0.320 19 0 "[ . 1 . 2]" 1
855 1 55 ALA HA 1 58 MET HG2 1.800 . 4.760 4.226 2.325 4.791 0.031 14 0 "[ . 1 . 2]" 1
856 1 55 ALA HA 1 58 MET H 1.800 . 4.970 3.209 2.809 4.106 . 0 0 "[ . 1 . 2]" 1
857 1 55 ALA MB 1 56 GLY QA 1.800 . 4.740 3.615 3.522 3.724 . 0 0 "[ . 1 . 2]" 1
858 1 55 ALA MB 1 56 GLY H 1.800 . 4.080 2.766 2.535 3.081 . 0 0 "[ . 1 . 2]" 1
859 1 55 ALA MB 1 57 THR H 1.800 . 5.300 4.432 4.166 4.740 . 0 0 "[ . 1 . 2]" 1
860 1 55 ALA MB 1 58 MET QG 1.800 . 5.560 4.788 3.466 5.162 . 0 0 "[ . 1 . 2]" 1
861 1 55 ALA H 1 55 ALA MB 1.800 . 3.270 2.223 2.183 2.254 . 0 0 "[ . 1 . 2]" 1
862 1 55 ALA H 1 56 GLY H 1.800 . 4.480 2.656 2.493 2.798 . 0 0 "[ . 1 . 2]" 1
863 1 55 ALA H 1 58 MET ME 1.800 . 4.460 4.138 3.824 4.509 0.049 16 0 "[ . 1 . 2]" 1
864 1 56 GLY QA 1 58 MET H 1.800 . 5.360 3.930 3.570 4.901 . 0 0 "[ . 1 . 2]" 1
865 1 56 GLY H 1 57 THR H 1.800 . 4.200 2.666 2.493 2.769 . 0 0 "[ . 1 . 2]" 1
866 1 57 THR HA 1 57 THR MG 1.800 . 3.090 2.610 2.218 3.198 0.108 11 0 "[ . 1 . 2]" 1
867 1 57 THR HB 1 58 MET H 1.800 . 4.990 4.103 2.789 4.623 . 0 0 "[ . 1 . 2]" 1
868 1 57 THR MG 1 58 MET H 1.800 . 4.840 3.727 2.975 4.249 . 0 0 "[ . 1 . 2]" 1
869 1 57 THR H 1 57 THR MG 1.800 . 3.660 2.601 1.832 3.847 0.187 2 0 "[ . 1 . 2]" 1
870 1 57 THR H 1 58 MET HB3 1.800 . 6.050 4.542 3.939 5.885 . 0 0 "[ . 1 . 2]" 1
871 1 57 THR H 1 58 MET HB2 1.800 . 6.050 4.317 3.605 5.690 . 0 0 "[ . 1 . 2]" 1
872 1 57 THR H 1 58 MET H 1.800 . 3.270 2.135 1.730 2.492 0.070 7 0 "[ . 1 . 2]" 1
873 1 58 MET HA 1 59 LYS H 1.800 . 3.320 2.207 2.143 2.249 . 0 0 "[ . 1 . 2]" 1
874 1 58 MET HA 1 92 VAL MG1 1.800 . 4.550 3.826 3.608 4.228 . 0 0 "[ . 1 . 2]" 1
875 1 58 MET HA 1 93 VAL H 1.800 . 5.490 4.610 4.176 5.132 . 0 0 "[ . 1 . 2]" 1
876 1 58 MET HA 1 94 ASP QB 1.800 . 4.310 4.006 3.215 4.345 0.035 12 0 "[ . 1 . 2]" 1
877 1 58 MET QB 1 59 LYS HA 1.800 . 5.400 4.498 4.092 4.626 . 0 0 "[ . 1 . 2]" 1
878 1 58 MET QB 1 92 VAL MG1 1.800 . 3.930 3.470 2.088 3.972 0.042 3 0 "[ . 1 . 2]" 1
879 1 58 MET QB 1 93 VAL H 1.800 . 5.560 5.332 3.902 5.690 0.130 14 0 "[ . 1 . 2]" 1
880 1 58 MET QB 1 94 ASP QB 1.800 . 5.000 4.222 2.962 5.023 0.023 9 0 "[ . 1 . 2]" 1
881 1 58 MET HB3 1 59 LYS H 1.800 . 4.760 3.983 2.979 4.174 . 0 0 "[ . 1 . 2]" 1
882 1 58 MET HB2 1 59 LYS H 1.800 . 4.760 4.037 2.922 4.391 . 0 0 "[ . 1 . 2]" 1
883 1 58 MET ME 1 92 VAL MG1 1.800 . 3.250 2.666 2.139 3.272 0.022 6 0 "[ . 1 . 2]" 1
884 1 58 MET ME 1 92 VAL MG2 1.800 . 4.030 3.813 3.257 4.056 0.026 1 0 "[ . 1 . 2]" 1
885 1 58 MET ME 1 58 MET QG 1.800 . 3.640 2.239 2.134 2.352 . 0 0 "[ . 1 . 2]" 1
886 1 58 MET QG 1 60 VAL H 1.800 . 6.050 4.964 4.234 6.331 0.281 16 0 "[ . 1 . 2]" 1
887 1 58 MET HG3 1 59 LYS H 1.800 . 5.730 3.310 2.788 4.478 . 0 0 "[ . 1 . 2]" 1
888 1 58 MET HG3 1 92 VAL MG1 1.800 . 4.970 2.607 2.038 4.528 . 0 0 "[ . 1 . 2]" 1
889 1 58 MET HG2 1 59 LYS H 1.800 . 5.730 3.199 2.265 5.305 . 0 0 "[ . 1 . 2]" 1
890 1 58 MET HG2 1 92 VAL MG1 1.800 . 4.970 2.735 2.100 4.503 . 0 0 "[ . 1 . 2]" 1
891 1 58 MET H 1 58 MET ME 1.800 . 4.950 4.369 3.996 4.698 . 0 0 "[ . 1 . 2]" 1
892 1 58 MET H 1 59 LYS H 1.800 . 5.250 4.591 4.511 4.663 . 0 0 "[ . 1 . 2]" 1
893 1 59 LYS HA 1 59 LYS HG3 1.800 . 4.310 2.958 2.321 3.068 . 0 0 "[ . 1 . 2]" 1
894 1 59 LYS HA 1 59 LYS HG2 1.800 . 4.310 2.456 2.345 3.090 . 0 0 "[ . 1 . 2]" 1
895 1 59 LYS HA 1 60 VAL HB 1.800 . 5.900 4.461 4.395 4.572 . 0 0 "[ . 1 . 2]" 1
896 1 59 LYS HA 1 60 VAL MG2 1.800 . 4.370 3.648 3.473 3.872 . 0 0 "[ . 1 . 2]" 1
897 1 59 LYS HA 1 60 VAL H 1.800 . 3.190 2.247 2.156 2.319 . 0 0 "[ . 1 . 2]" 1
898 1 59 LYS HA 1 71 THR MG 1.800 . 5.210 5.214 4.884 5.294 0.084 1 0 "[ . 1 . 2]" 1
899 1 59 LYS HA 1 93 VAL MG2 1.800 . 5.860 5.731 4.709 5.933 0.073 16 0 "[ . 1 . 2]" 1
900 1 59 LYS QB 1 59 LYS QE 1.800 . 4.430 2.309 2.116 3.642 . 0 0 "[ . 1 . 2]" 1
901 1 59 LYS QB 1 60 VAL H 1.800 . 4.310 2.959 2.712 3.869 . 0 0 "[ . 1 . 2]" 1
902 1 59 LYS QB 1 61 GLN QG 1.800 . 5.060 3.386 3.233 4.115 . 0 0 "[ . 1 . 2]" 1
903 1 59 LYS QB 1 71 THR MG 1.800 . 4.940 4.074 3.701 4.873 . 0 0 "[ . 1 . 2]" 1
904 1 59 LYS QB 1 93 VAL HA 1.800 . 5.300 4.978 4.643 5.353 0.053 6 0 "[ . 1 . 2]" 1
905 1 59 LYS QB 1 93 VAL HB 1.800 . 3.510 2.382 2.289 2.699 . 0 0 "[ . 1 . 2]" 1
906 1 59 LYS QB 1 93 VAL MG2 1.800 . 3.900 3.449 2.245 3.892 . 0 0 "[ . 1 . 2]" 1
907 1 59 LYS QB 1 93 VAL H 1.800 . 4.650 3.317 2.904 3.802 . 0 0 "[ . 1 . 2]" 1
908 1 59 LYS QE 1 93 VAL HB 1.800 . 4.790 3.080 2.426 4.301 . 0 0 "[ . 1 . 2]" 1
909 1 59 LYS QE 1 93 VAL MG1 1.800 . 4.200 3.177 2.566 4.298 0.098 16 0 "[ . 1 . 2]" 1
910 1 59 LYS QE 1 93 VAL MG2 1.800 . 4.520 3.766 3.294 4.653 0.133 4 0 "[ . 1 . 2]" 1
911 1 59 LYS H 1 59 LYS QB 1.800 . 3.690 2.527 2.431 2.614 . 0 0 "[ . 1 . 2]" 1
912 1 59 LYS H 1 59 LYS QG 1.800 . 4.940 3.008 2.598 4.103 . 0 0 "[ . 1 . 2]" 1
913 1 59 LYS H 1 92 VAL HA 1.800 . 5.440 4.466 4.079 5.130 . 0 0 "[ . 1 . 2]" 1
914 1 59 LYS H 1 92 VAL MG1 1.800 . 4.530 3.349 2.966 3.955 . 0 0 "[ . 1 . 2]" 1
915 1 59 LYS H 1 93 VAL HB 1.800 . 4.580 3.434 2.871 4.001 . 0 0 "[ . 1 . 2]" 1
916 1 59 LYS H 1 93 VAL H 1.800 . 4.100 2.942 2.502 3.368 . 0 0 "[ . 1 . 2]" 1
917 1 59 LYS H 1 94 ASP HA 1.800 . 5.210 3.873 3.408 4.454 . 0 0 "[ . 1 . 2]" 1
918 1 59 LYS H 1 94 ASP QB 1.800 . 5.590 5.027 4.222 5.547 . 0 0 "[ . 1 . 2]" 1
919 1 60 VAL HA 1 60 VAL MG1 1.800 . 3.640 2.407 2.312 2.428 . 0 0 "[ . 1 . 2]" 1
920 1 60 VAL HA 1 60 VAL MG2 1.800 . 3.740 2.307 2.243 2.397 . 0 0 "[ . 1 . 2]" 1
921 1 60 VAL HA 1 61 GLN H 1.800 . 3.390 2.189 2.138 2.214 . 0 0 "[ . 1 . 2]" 1
922 1 60 VAL HA 1 92 VAL HA 1.800 . 4.100 2.864 2.517 3.241 . 0 0 "[ . 1 . 2]" 1
923 1 60 VAL HA 1 92 VAL MG2 1.800 . 4.730 3.395 2.675 3.801 . 0 0 "[ . 1 . 2]" 1
924 1 60 VAL HA 1 93 VAL H 1.800 . 5.020 3.847 3.250 4.400 . 0 0 "[ . 1 . 2]" 1
925 1 60 VAL HB 1 61 GLN H 1.800 . 5.750 4.246 4.189 4.289 . 0 0 "[ . 1 . 2]" 1
926 1 60 VAL HB 1 72 MET H 1.800 . 5.500 4.237 3.867 4.649 . 0 0 "[ . 1 . 2]" 1
927 1 60 VAL MG1 1 61 GLN H 1.800 . 3.930 2.552 2.490 2.645 . 0 0 "[ . 1 . 2]" 1
928 1 60 VAL MG1 1 72 MET ME 1.800 . 2.860 2.596 2.302 2.868 0.008 16 0 "[ . 1 . 2]" 1
929 1 60 VAL MG1 1 72 MET H 1.800 . 4.820 3.555 3.266 4.101 . 0 0 "[ . 1 . 2]" 1
930 1 60 VAL MG1 1 90 LEU QB 1.800 . 3.560 2.989 2.355 3.414 . 0 0 "[ . 1 . 2]" 1
931 1 60 VAL MG1 1 91 HIS H 1.800 . 4.460 4.059 3.265 4.458 . 0 0 "[ . 1 . 2]" 1
932 1 60 VAL MG1 1 92 VAL HA 1.800 . 5.890 4.309 3.815 4.865 . 0 0 "[ . 1 . 2]" 1
933 1 60 VAL MG2 1 61 GLN QG 1.800 . 6.050 5.149 5.066 5.537 . 0 0 "[ . 1 . 2]" 1
934 1 60 VAL MG2 1 61 GLN H 1.800 . 4.940 3.896 3.854 3.996 . 0 0 "[ . 1 . 2]" 1
935 1 60 VAL MG2 1 92 VAL HA 1.800 . 4.600 3.554 2.826 4.031 . 0 0 "[ . 1 . 2]" 1
936 1 60 VAL MG2 1 93 VAL H 1.800 . 5.480 4.539 3.895 4.908 . 0 0 "[ . 1 . 2]" 1
937 1 60 VAL H 1 60 VAL HB 1.800 . 3.710 2.482 2.421 2.542 . 0 0 "[ . 1 . 2]" 1
938 1 60 VAL H 1 60 VAL MG2 1.800 . 3.630 2.821 2.577 2.904 . 0 0 "[ . 1 . 2]" 1
939 1 60 VAL H 1 61 GLN QG 1.800 . 5.480 4.001 3.751 4.377 . 0 0 "[ . 1 . 2]" 1
940 1 60 VAL H 1 61 GLN H 1.800 . 5.020 4.437 4.391 4.514 . 0 0 "[ . 1 . 2]" 1
941 1 60 VAL H 1 71 THR MG 1.800 . 4.500 4.041 3.902 4.234 . 0 0 "[ . 1 . 2]" 1
942 1 60 VAL H 1 72 MET QB 1.800 . 5.830 4.175 3.696 4.523 . 0 0 "[ . 1 . 2]" 1
943 1 60 VAL H 1 72 MET H 1.800 . 5.140 5.017 4.641 5.182 0.042 16 0 "[ . 1 . 2]" 1
944 1 61 GLN HA 1 62 VAL H 1.800 . 3.490 2.210 2.117 2.298 . 0 0 "[ . 1 . 2]" 1
945 1 61 GLN HA 1 71 THR HA 1.800 . 3.600 2.520 2.290 2.801 . 0 0 "[ . 1 . 2]" 1
946 1 61 GLN QB 1 91 HIS HD2 1.800 . 4.890 3.875 3.468 4.308 . 0 0 "[ . 1 . 2]" 1
947 1 61 GLN HB3 1 63 PHE QE 1.800 . 4.210 2.716 2.365 3.438 . 0 0 "[ . 1 . 2]" 1
948 1 61 GLN HB3 1 91 HIS QB 1.800 . 5.250 4.126 3.604 4.594 . 0 0 "[ . 1 . 2]" 1
949 1 61 GLN HB2 1 63 PHE QE 1.800 . 4.210 2.340 2.325 2.356 . 0 0 "[ . 1 . 2]" 1
950 1 61 GLN HB2 1 91 HIS QB 1.800 . 5.250 2.865 2.336 3.257 . 0 0 "[ . 1 . 2]" 1
951 1 61 GLN QE 1 71 THR MG 1.800 . 4.410 3.466 2.903 4.267 . 0 0 "[ . 1 . 2]" 1
952 1 61 GLN HE21 1 93 VAL MG2 1.800 . 5.360 4.124 2.341 5.056 . 0 0 "[ . 1 . 2]" 1
953 1 61 GLN HE22 1 93 VAL MG2 1.800 . 5.360 3.605 2.679 4.347 . 0 0 "[ . 1 . 2]" 1
954 1 61 GLN QG 1 62 VAL H 1.800 . 5.440 3.972 3.834 4.255 . 0 0 "[ . 1 . 2]" 1
955 1 61 GLN QG 1 71 THR HA 1.800 . 4.840 3.372 2.942 3.791 . 0 0 "[ . 1 . 2]" 1
956 1 61 GLN HG3 1 71 THR MG 1.800 . 4.580 3.219 2.569 3.724 . 0 0 "[ . 1 . 2]" 1
957 1 61 GLN HG3 1 93 VAL MG2 1.800 . 4.870 3.758 3.541 4.874 0.004 10 0 "[ . 1 . 2]" 1
958 1 61 GLN HG2 1 71 THR MG 1.800 . 4.580 2.511 2.178 3.883 . 0 0 "[ . 1 . 2]" 1
959 1 61 GLN HG2 1 93 VAL MG2 1.800 . 4.870 4.855 4.151 4.931 0.061 18 0 "[ . 1 . 2]" 1
960 1 61 GLN H 1 61 GLN HG3 1.800 . 4.640 3.165 3.091 3.645 . 0 0 "[ . 1 . 2]" 1
961 1 61 GLN H 1 61 GLN HG2 1.800 . 4.640 4.192 4.148 4.249 . 0 0 "[ . 1 . 2]" 1
962 1 61 GLN H 1 62 VAL H 1.800 . 5.510 4.367 4.222 4.447 . 0 0 "[ . 1 . 2]" 1
963 1 61 GLN H 1 71 THR MG 1.800 . 5.120 4.877 4.653 5.149 0.029 14 0 "[ . 1 . 2]" 1
964 1 61 GLN H 1 72 MET ME 1.800 . 5.720 5.314 5.006 5.554 . 0 0 "[ . 1 . 2]" 1
965 1 61 GLN H 1 90 LEU QB 1.800 . 5.690 4.336 4.109 4.642 . 0 0 "[ . 1 . 2]" 1
966 1 61 GLN H 1 90 LEU MD2 1.800 . 5.270 4.441 4.242 4.768 . 0 0 "[ . 1 . 2]" 1
967 1 61 GLN H 1 91 HIS HB3 1.800 . 5.620 3.901 3.429 4.210 . 0 0 "[ . 1 . 2]" 1
968 1 61 GLN H 1 91 HIS HB2 1.800 . 5.620 5.307 4.854 5.590 . 0 0 "[ . 1 . 2]" 1
969 1 61 GLN H 1 91 HIS H 1.800 . 4.380 3.209 2.855 3.575 . 0 0 "[ . 1 . 2]" 1
970 1 61 GLN H 1 92 VAL HA 1.800 . 5.220 3.807 3.500 4.156 . 0 0 "[ . 1 . 2]" 1
971 1 61 GLN H 1 93 VAL MG2 1.800 . 5.810 4.471 4.094 4.690 . 0 0 "[ . 1 . 2]" 1
972 1 61 GLN H 1 93 VAL H 1.800 . 5.730 4.870 4.336 5.357 . 0 0 "[ . 1 . 2]" 1
973 1 62 VAL HA 1 62 VAL MG1 1.800 . 3.580 2.330 2.305 2.353 . 0 0 "[ . 1 . 2]" 1
974 1 62 VAL HA 1 62 VAL MG2 1.800 . 3.580 2.380 2.311 2.458 . 0 0 "[ . 1 . 2]" 1
975 1 62 VAL HA 1 63 PHE QD 1.800 . 5.120 4.022 3.788 4.181 . 0 0 "[ . 1 . 2]" 1
976 1 62 VAL HA 1 63 PHE H 1.800 . 3.400 2.191 2.136 2.215 . 0 0 "[ . 1 . 2]" 1
977 1 62 VAL HA 1 69 VAL MG2 1.800 . 5.290 4.958 4.159 5.314 0.024 18 0 "[ . 1 . 2]" 1
978 1 62 VAL HA 1 90 LEU HA 1.800 . 3.950 2.882 2.691 3.071 . 0 0 "[ . 1 . 2]" 1
979 1 62 VAL HA 1 90 LEU MD2 1.800 . 3.900 2.365 2.205 2.605 . 0 0 "[ . 1 . 2]" 1
980 1 62 VAL HA 1 91 HIS H 1.800 . 5.300 3.821 3.561 3.993 . 0 0 "[ . 1 . 2]" 1
981 1 62 VAL HB 1 63 PHE HA 1.800 . 5.610 4.717 4.650 4.783 . 0 0 "[ . 1 . 2]" 1
982 1 62 VAL HB 1 63 PHE H 1.800 . 5.510 4.126 4.081 4.192 . 0 0 "[ . 1 . 2]" 1
983 1 62 VAL HB 1 69 VAL H 1.800 . 4.530 3.697 3.189 4.251 . 0 0 "[ . 1 . 2]" 1
984 1 62 VAL HB 1 70 SER HB3 1.800 . 5.160 4.663 3.659 5.112 . 0 0 "[ . 1 . 2]" 1
985 1 62 VAL HB 1 70 SER HB2 1.800 . 5.160 4.528 4.000 5.158 . 0 0 "[ . 1 . 2]" 1
986 1 62 VAL HB 1 70 SER H 1.800 . 3.420 2.372 2.044 2.887 . 0 0 "[ . 1 . 2]" 1
987 1 62 VAL HB 1 82 TYR QB 1.800 . 5.870 4.153 3.732 4.443 . 0 0 "[ . 1 . 2]" 1
988 1 62 VAL HB 1 90 LEU MD2 1.800 . 5.560 4.328 4.158 4.570 . 0 0 "[ . 1 . 2]" 1
989 1 62 VAL MG1 1 63 PHE QD 1.800 . 6.050 4.919 4.824 5.022 . 0 0 "[ . 1 . 2]" 1
990 1 62 VAL MG1 1 63 PHE H 1.800 . 3.790 2.604 2.534 2.708 . 0 0 "[ . 1 . 2]" 1
991 1 62 VAL MG1 1 64 LYS H 1.800 . 5.210 4.548 4.354 4.693 . 0 0 "[ . 1 . 2]" 1
992 1 62 VAL MG1 1 83 ALA HA 1.800 . 4.290 3.998 3.711 4.236 . 0 0 "[ . 1 . 2]" 1
993 1 62 VAL MG1 1 83 ALA H 1.800 . 5.760 5.209 4.699 5.547 . 0 0 "[ . 1 . 2]" 1
994 1 62 VAL MG2 1 63 PHE H 1.800 . 4.790 4.055 4.001 4.140 . 0 0 "[ . 1 . 2]" 1
995 1 62 VAL MG2 1 70 SER HB3 1.800 . 4.820 4.581 3.431 4.936 0.116 15 0 "[ . 1 . 2]" 1
996 1 62 VAL MG2 1 70 SER HB2 1.800 . 4.820 4.589 4.235 4.898 0.078 3 0 "[ . 1 . 2]" 1
997 1 62 VAL MG2 1 70 SER H 1.800 . 4.920 3.862 3.516 4.318 . 0 0 "[ . 1 . 2]" 1
998 1 62 VAL MG2 1 72 MET ME 1.800 . 3.200 2.121 1.922 2.399 . 0 0 "[ . 1 . 2]" 1
999 1 62 VAL MG2 1 72 MET QG 1.800 . 4.540 2.559 2.389 2.817 . 0 0 "[ . 1 . 2]" 1
1000 1 62 VAL MG2 1 72 MET H 1.800 . 4.610 3.439 3.151 3.634 . 0 0 "[ . 1 . 2]" 1
1001 1 62 VAL MG2 1 82 TYR HA 1.800 . 4.950 4.750 4.491 4.964 0.014 7 0 "[ . 1 . 2]" 1
1002 1 62 VAL MG2 1 82 TYR QB 1.800 . 3.650 2.438 2.199 2.627 . 0 0 "[ . 1 . 2]" 1
1003 1 62 VAL MG2 1 82 TYR QD 1.800 . 4.650 3.960 3.652 4.152 . 0 0 "[ . 1 . 2]" 1
1004 1 62 VAL MG2 1 83 ALA HA 1.800 . 4.690 4.652 4.449 4.761 0.071 15 0 "[ . 1 . 2]" 1
1005 1 62 VAL MG2 1 83 ALA MB 1.800 . 3.900 3.780 3.433 3.938 0.038 12 0 "[ . 1 . 2]" 1
1006 1 62 VAL MG2 1 83 ALA H 1.800 . 4.840 4.687 4.312 4.858 0.018 5 0 "[ . 1 . 2]" 1
1007 1 62 VAL MG2 1 90 LEU HA 1.800 . 5.030 4.142 3.913 4.382 . 0 0 "[ . 1 . 2]" 1
1008 1 62 VAL H 1 62 VAL HB 1.800 . 3.700 2.527 2.451 2.591 . 0 0 "[ . 1 . 2]" 1
1009 1 62 VAL H 1 62 VAL MG1 1.800 . 4.220 3.800 3.777 3.835 . 0 0 "[ . 1 . 2]" 1
1010 1 62 VAL H 1 62 VAL MG2 1.800 . 3.720 2.289 2.081 2.503 . 0 0 "[ . 1 . 2]" 1
1011 1 62 VAL H 1 63 PHE H 1.800 . 5.520 4.535 4.457 4.581 . 0 0 "[ . 1 . 2]" 1
1012 1 62 VAL H 1 69 VAL H 1.800 . 5.620 5.043 4.448 5.370 . 0 0 "[ . 1 . 2]" 1
1013 1 62 VAL H 1 70 SER H 1.800 . 4.470 3.604 3.427 3.871 . 0 0 "[ . 1 . 2]" 1
1014 1 62 VAL H 1 71 THR HA 1.800 . 4.650 2.868 2.600 3.170 . 0 0 "[ . 1 . 2]" 1
1015 1 62 VAL H 1 71 THR MG 1.800 . 5.050 4.370 4.076 4.593 . 0 0 "[ . 1 . 2]" 1
1016 1 62 VAL H 1 72 MET ME 1.800 . 5.170 4.603 4.336 4.837 . 0 0 "[ . 1 . 2]" 1
1017 1 63 PHE HA 1 63 PHE QD 1.800 . 4.250 2.671 2.467 2.926 . 0 0 "[ . 1 . 2]" 1
1018 1 63 PHE HA 1 64 LYS H 1.800 . 3.410 2.210 2.176 2.257 . 0 0 "[ . 1 . 2]" 1
1019 1 63 PHE HA 1 68 CYS HA 1.800 . 3.730 2.374 2.281 2.785 . 0 0 "[ . 1 . 2]" 1
1020 1 63 PHE HA 1 69 VAL MG1 1.800 . 5.910 5.557 3.783 5.906 . 0 0 "[ . 1 . 2]" 1
1021 1 63 PHE HA 1 69 VAL MG2 1.800 . 4.050 3.369 2.731 3.769 . 0 0 "[ . 1 . 2]" 1
1022 1 63 PHE HA 1 69 VAL H 1.800 . 3.940 2.795 2.353 3.220 . 0 0 "[ . 1 . 2]" 1
1023 1 63 PHE HA 1 70 SER H 1.800 . 5.360 4.735 4.280 5.148 . 0 0 "[ . 1 . 2]" 1
1024 1 63 PHE QB 1 89 ARG QB 1.800 . 5.320 2.893 2.305 4.030 . 0 0 "[ . 1 . 2]" 1
1025 1 63 PHE QB 1 89 ARG H 1.800 . 5.290 4.089 3.778 4.528 . 0 0 "[ . 1 . 2]" 1
1026 1 63 PHE HB3 1 64 LYS H 1.800 . 4.960 2.978 2.838 3.243 . 0 0 "[ . 1 . 2]" 1
1027 1 63 PHE HB3 1 89 ARG QB 1.800 . 4.640 3.656 3.191 4.756 0.116 17 0 "[ . 1 . 2]" 1
1028 1 63 PHE HB2 1 64 LYS H 1.800 . 4.960 4.139 4.043 4.318 . 0 0 "[ . 1 . 2]" 1
1029 1 63 PHE HB2 1 89 ARG QB 1.800 . 4.640 3.042 2.364 4.353 . 0 0 "[ . 1 . 2]" 1
1030 1 63 PHE QD 1 64 LYS H 1.800 . 4.860 3.306 3.149 3.509 . 0 0 "[ . 1 . 2]" 1
1031 1 63 PHE QD 1 66 ASP HA 1.800 . 5.620 5.002 4.175 5.345 . 0 0 "[ . 1 . 2]" 1
1032 1 63 PHE QD 1 67 THR HA 1.800 . 5.860 4.909 4.336 5.225 . 0 0 "[ . 1 . 2]" 1
1033 1 63 PHE QD 1 67 THR H 1.800 . 4.690 4.632 3.658 4.843 0.153 7 0 "[ . 1 . 2]" 1
1034 1 63 PHE QD 1 68 CYS HA 1.800 . 4.810 2.903 2.396 3.454 . 0 0 "[ . 1 . 2]" 1
1035 1 63 PHE QD 1 69 VAL MG2 1.800 . 6.050 5.136 4.482 5.510 . 0 0 "[ . 1 . 2]" 1
1036 1 63 PHE QD 1 91 HIS HB3 1.800 . 4.330 2.619 2.349 3.021 . 0 0 "[ . 1 . 2]" 1
1037 1 63 PHE QD 1 91 HIS HB2 1.800 . 4.330 2.717 2.427 3.119 . 0 0 "[ . 1 . 2]" 1
1038 1 63 PHE QD 1 91 HIS H 1.800 . 4.970 2.975 2.533 3.363 . 0 0 "[ . 1 . 2]" 1
1039 1 63 PHE QE 1 68 CYS QB 1.800 . 4.460 2.784 2.302 3.846 . 0 0 "[ . 1 . 2]" 1
1040 1 63 PHE QE 1 68 CYS H 1.800 . 5.630 4.367 3.747 4.780 . 0 0 "[ . 1 . 2]" 1
1041 1 63 PHE QE 1 91 HIS HB3 1.800 . 4.770 2.480 2.345 3.076 . 0 0 "[ . 1 . 2]" 1
1042 1 63 PHE QE 1 91 HIS HB2 1.800 . 4.770 3.567 3.199 4.330 . 0 0 "[ . 1 . 2]" 1
1043 1 63 PHE H 1 63 PHE QD 1.800 . 4.170 3.381 3.182 3.506 . 0 0 "[ . 1 . 2]" 1
1044 1 63 PHE H 1 64 LYS H 1.800 . 5.970 4.435 4.398 4.466 . 0 0 "[ . 1 . 2]" 1
1045 1 63 PHE H 1 69 VAL MG2 1.800 . 5.590 4.286 3.993 4.618 . 0 0 "[ . 1 . 2]" 1
1046 1 63 PHE H 1 88 LEU QB 1.800 . 5.620 4.349 4.104 4.556 . 0 0 "[ . 1 . 2]" 1
1047 1 63 PHE H 1 89 ARG HB3 1.800 . 6.050 4.064 3.627 5.892 . 0 0 "[ . 1 . 2]" 1
1048 1 63 PHE H 1 89 ARG HB2 1.800 . 6.050 5.370 3.312 5.802 . 0 0 "[ . 1 . 2]" 1
1049 1 63 PHE H 1 89 ARG QG 1.800 . 5.870 4.631 3.432 5.098 . 0 0 "[ . 1 . 2]" 1
1050 1 63 PHE H 1 89 ARG H 1.800 . 4.330 3.548 3.172 3.849 . 0 0 "[ . 1 . 2]" 1
1051 1 63 PHE H 1 90 LEU HA 1.800 . 4.980 3.321 2.959 3.611 . 0 0 "[ . 1 . 2]" 1
1052 1 63 PHE H 1 90 LEU MD2 1.800 . 4.870 3.227 2.957 3.522 . 0 0 "[ . 1 . 2]" 1
1053 1 63 PHE H 1 90 LEU HG 1.800 . 6.050 5.159 4.851 5.429 . 0 0 "[ . 1 . 2]" 1
1054 1 63 PHE H 1 91 HIS H 1.800 . 5.750 4.259 3.850 4.652 . 0 0 "[ . 1 . 2]" 1
1055 1 63 PHE HZ 1 68 CYS QB 1.800 . 4.530 3.938 3.278 4.513 . 0 0 "[ . 1 . 2]" 1
1056 1 64 LYS HA 1 64 LYS QD 1.800 . 4.640 3.965 3.900 4.465 . 0 0 "[ . 1 . 2]" 1
1057 1 64 LYS HA 1 64 LYS QG 1.800 . 3.650 2.362 2.229 3.312 . 0 0 "[ . 1 . 2]" 1
1058 1 64 LYS HA 1 69 VAL MG2 1.800 . 5.700 4.047 3.800 4.984 . 0 0 "[ . 1 . 2]" 1
1059 1 64 LYS HA 1 88 LEU MD2 1.800 . 3.990 3.564 2.816 3.996 0.006 13 0 "[ . 1 . 2]" 1
1060 1 64 LYS HA 1 89 ARG H 1.800 . 4.960 3.694 3.246 4.026 . 0 0 "[ . 1 . 2]" 1
1061 1 64 LYS QB 1 64 LYS QD 1.800 . 3.930 2.169 2.125 2.319 . 0 0 "[ . 1 . 2]" 1
1062 1 64 LYS QB 1 67 THR HB 1.800 . 5.040 4.250 3.388 5.128 0.088 12 0 "[ . 1 . 2]" 1
1063 1 64 LYS QB 1 67 THR H 1.800 . 5.210 4.370 3.949 4.707 . 0 0 "[ . 1 . 2]" 1
1064 1 64 LYS HB3 1 69 VAL MG2 1.800 . 3.920 2.505 2.048 3.951 0.031 17 0 "[ . 1 . 2]" 1
1065 1 64 LYS HB2 1 69 VAL MG2 1.800 . 3.920 2.262 2.032 4.013 0.093 15 0 "[ . 1 . 2]" 1
1066 1 64 LYS QD 1 69 VAL MG2 1.800 . 4.200 2.687 1.930 3.834 . 0 0 "[ . 1 . 2]" 1
1067 1 64 LYS QE 1 69 VAL MG1 1.800 . 5.420 5.076 3.828 5.578 0.158 9 0 "[ . 1 . 2]" 1
1068 1 64 LYS QE 1 69 VAL MG2 1.800 . 5.420 3.895 2.334 5.446 0.026 17 0 "[ . 1 . 2]" 1
1069 1 64 LYS QE 1 88 LEU MD2 1.800 . 4.280 3.235 1.986 3.916 . 0 0 "[ . 1 . 2]" 1
1070 1 64 LYS QE 1 64 LYS QG 1.800 . 3.180 2.267 2.122 2.334 . 0 0 "[ . 1 . 2]" 1
1071 1 64 LYS H 1 64 LYS HB3 1.800 . 4.070 2.910 2.765 3.406 . 0 0 "[ . 1 . 2]" 1
1072 1 64 LYS H 1 64 LYS HB2 1.800 . 4.070 3.256 3.077 3.783 . 0 0 "[ . 1 . 2]" 1
1073 1 64 LYS H 1 67 THR HB 1.800 . 5.460 4.822 4.031 5.464 0.004 12 0 "[ . 1 . 2]" 1
1074 1 64 LYS H 1 67 THR H 1.800 . 5.150 3.694 2.992 3.895 . 0 0 "[ . 1 . 2]" 1
1075 1 64 LYS H 1 68 CYS HA 1.800 . 4.790 3.140 2.860 3.877 . 0 0 "[ . 1 . 2]" 1
1076 1 64 LYS H 1 69 VAL H 1.800 . 4.510 3.573 3.241 4.406 . 0 0 "[ . 1 . 2]" 1
1077 1 65 GLY HA3 1 67 THR H 1.800 . 5.300 3.462 3.305 3.975 . 0 0 "[ . 1 . 2]" 1
1078 1 65 GLY HA2 1 67 THR H 1.800 . 5.300 4.512 4.379 4.857 . 0 0 "[ . 1 . 2]" 1
1079 1 66 ASP HA 1 67 THR HB 1.800 . 6.050 5.633 5.117 5.776 . 0 0 "[ . 1 . 2]" 1
1080 1 66 ASP H 1 67 THR H 1.800 . 4.070 2.360 1.816 2.562 . 0 0 "[ . 1 . 2]" 1
1081 1 67 THR HA 1 67 THR MG 1.800 . 3.380 2.400 2.299 3.202 . 0 0 "[ . 1 . 2]" 1
1082 1 67 THR HA 1 68 CYS QB 1.800 . 4.970 4.411 4.052 4.685 . 0 0 "[ . 1 . 2]" 1
1083 1 67 THR HA 1 68 CYS H 1.800 . 3.720 2.189 2.137 2.314 . 0 0 "[ . 1 . 2]" 1
1084 1 67 THR HB 1 68 CYS H 1.800 . 4.820 4.133 4.029 4.182 . 0 0 "[ . 1 . 2]" 1
1085 1 67 THR MG 1 68 CYS H 1.800 . 4.160 2.608 2.347 3.559 . 0 0 "[ . 1 . 2]" 1
1086 1 67 THR MG 1 69 VAL H 1.800 . 5.240 4.424 4.008 4.760 . 0 0 "[ . 1 . 2]" 1
1087 1 67 THR H 1 67 THR HB 1.800 . 3.270 2.704 2.554 3.227 . 0 0 "[ . 1 . 2]" 1
1088 1 67 THR H 1 67 THR MG 1.800 . 4.430 3.709 2.245 3.893 . 0 0 "[ . 1 . 2]" 1
1089 1 67 THR H 1 68 CYS H 1.800 . 5.260 4.404 4.346 4.497 . 0 0 "[ . 1 . 2]" 1
1090 1 68 CYS HA 1 69 VAL MG2 1.800 . 4.860 3.629 3.365 3.820 . 0 0 "[ . 1 . 2]" 1
1091 1 68 CYS HA 1 69 VAL H 1.800 . 3.210 2.195 2.154 2.279 . 0 0 "[ . 1 . 2]" 1
1092 1 68 CYS HA 1 70 SER H 1.800 . 4.400 4.201 3.980 4.505 0.105 15 0 "[ . 1 . 2]" 1
1093 1 68 CYS HB3 1 69 VAL H 1.800 . 5.430 3.969 3.297 4.401 . 0 0 "[ . 1 . 2]" 1
1094 1 68 CYS HB2 1 69 VAL H 1.800 . 5.430 3.880 2.947 4.391 . 0 0 "[ . 1 . 2]" 1
1095 1 68 CYS H 1 69 VAL H 1.800 . 5.700 4.539 4.472 4.649 . 0 0 "[ . 1 . 2]" 1
1096 1 69 VAL HA 1 69 VAL MG1 1.800 . 3.310 2.331 2.275 2.379 . 0 0 "[ . 1 . 2]" 1
1097 1 69 VAL HA 1 69 VAL MG2 1.800 . 3.730 2.408 2.266 3.203 . 0 0 "[ . 1 . 2]" 1
1098 1 69 VAL HA 1 70 SER HA 1.800 . 5.350 4.776 4.633 4.872 . 0 0 "[ . 1 . 2]" 1
1099 1 69 VAL MG1 1 70 SER H 1.800 . 4.870 3.326 3.098 3.823 . 0 0 "[ . 1 . 2]" 1
1100 1 69 VAL MG2 1 70 SER H 1.800 . 4.000 3.635 1.861 3.866 . 0 0 "[ . 1 . 2]" 1
1101 1 69 VAL H 1 69 VAL MG1 1.800 . 4.130 3.710 2.569 3.823 . 0 0 "[ . 1 . 2]" 1
1102 1 69 VAL H 1 69 VAL MG2 1.800 . 3.210 2.077 1.788 2.247 0.012 17 0 "[ . 1 . 2]" 1
1103 1 69 VAL H 1 70 SER H 1.800 . 3.420 2.660 2.221 2.785 . 0 0 "[ . 1 . 2]" 1
1104 1 70 SER HA 1 71 THR H 1.800 . 3.470 2.490 2.403 2.641 . 0 0 "[ . 1 . 2]" 1
1105 1 70 SER QB 1 71 THR H 1.800 . 3.550 2.505 2.047 3.290 . 0 0 "[ . 1 . 2]" 1
1106 1 70 SER QB 1 82 TYR QD 1.800 . 3.880 2.938 2.323 3.496 . 0 0 "[ . 1 . 2]" 1
1107 1 70 SER H 1 71 THR H 1.800 . 5.440 4.371 4.353 4.387 . 0 0 "[ . 1 . 2]" 1
1108 1 71 THR HA 1 71 THR MG 1.800 . 3.380 2.336 2.291 2.377 . 0 0 "[ . 1 . 2]" 1
1109 1 71 THR HA 1 72 MET HG3 1.800 . 5.650 3.913 3.819 3.987 . 0 0 "[ . 1 . 2]" 1
1110 1 71 THR HA 1 72 MET HG2 1.800 . 5.650 5.232 5.106 5.294 . 0 0 "[ . 1 . 2]" 1
1111 1 71 THR HA 1 72 MET H 1.800 . 3.260 2.182 2.129 2.207 . 0 0 "[ . 1 . 2]" 1
1112 1 71 THR HA 1 73 ASP H 1.800 . 5.790 5.084 4.512 5.911 0.121 16 0 "[ . 1 . 2]" 1
1113 1 71 THR HB 1 72 MET H 1.800 . 4.610 4.218 4.172 4.259 . 0 0 "[ . 1 . 2]" 1
1114 1 71 THR MG 1 72 MET HA 1.800 . 5.190 4.181 4.035 4.242 . 0 0 "[ . 1 . 2]" 1
1115 1 71 THR MG 1 72 MET H 1.800 . 3.520 2.620 2.444 2.716 . 0 0 "[ . 1 . 2]" 1
1116 1 71 THR MG 1 73 ASP QB 1.800 . 4.750 3.452 2.633 4.427 . 0 0 "[ . 1 . 2]" 1
1117 1 71 THR MG 1 73 ASP H 1.800 . 4.960 3.738 3.012 4.370 . 0 0 "[ . 1 . 2]" 1
1118 1 71 THR H 1 71 THR HB 1.800 . 4.020 2.553 2.485 2.600 . 0 0 "[ . 1 . 2]" 1
1119 1 71 THR H 1 71 THR MG 1.800 . 4.430 3.827 3.795 3.849 . 0 0 "[ . 1 . 2]" 1
1120 1 72 MET HA 1 72 MET HG3 1.800 . 4.270 2.940 2.915 2.990 . 0 0 "[ . 1 . 2]" 1
1121 1 72 MET HA 1 72 MET HG2 1.800 . 4.270 2.417 2.389 2.440 . 0 0 "[ . 1 . 2]" 1
1122 1 72 MET HA 1 73 ASP H 1.800 . 3.500 2.330 2.177 2.502 . 0 0 "[ . 1 . 2]" 1
1123 1 72 MET HA 1 74 ASN H 1.800 . 4.880 3.390 2.964 3.722 . 0 0 "[ . 1 . 2]" 1
1124 1 72 MET HA 1 82 TYR QE 1.800 . 4.370 3.259 2.995 3.641 . 0 0 "[ . 1 . 2]" 1
1125 1 72 MET HB3 1 82 TYR QD 1.800 . 5.830 4.389 4.130 4.616 . 0 0 "[ . 1 . 2]" 1
1126 1 72 MET HB2 1 82 TYR QD 1.800 . 5.830 5.351 5.176 5.616 . 0 0 "[ . 1 . 2]" 1
1127 1 72 MET ME 1 79 LEU HA 1.800 . 4.580 3.556 3.354 3.768 . 0 0 "[ . 1 . 2]" 1
1128 1 72 MET ME 1 79 LEU MD1 1.800 . 2.640 2.163 2.001 2.394 . 0 0 "[ . 1 . 2]" 1
1129 1 72 MET ME 1 82 TYR HB3 1.800 . 3.600 3.583 3.182 3.644 0.044 17 0 "[ . 1 . 2]" 1
1130 1 72 MET ME 1 82 TYR HB2 1.800 . 3.600 2.478 2.312 2.758 . 0 0 "[ . 1 . 2]" 1
1131 1 72 MET ME 1 82 TYR QD 1.800 . 3.980 3.090 2.708 3.423 . 0 0 "[ . 1 . 2]" 1
1132 1 72 MET ME 1 82 TYR H 1.800 . 4.830 4.032 3.640 4.502 . 0 0 "[ . 1 . 2]" 1
1133 1 72 MET ME 1 83 ALA HA 1.800 . 5.790 4.983 4.678 5.319 . 0 0 "[ . 1 . 2]" 1
1134 1 72 MET ME 1 83 ALA MB 1.800 . 3.490 3.218 2.929 3.490 0.000 18 0 "[ . 1 . 2]" 1
1135 1 72 MET ME 1 83 ALA H 1.800 . 4.650 3.857 3.463 4.087 . 0 0 "[ . 1 . 2]" 1
1136 1 72 MET ME 1 90 LEU HA 1.800 . 5.270 5.070 4.783 5.271 0.001 1 0 "[ . 1 . 2]" 1
1137 1 72 MET ME 1 90 LEU MD2 1.800 . 3.150 2.577 2.176 2.865 . 0 0 "[ . 1 . 2]" 1
1138 1 72 MET QG 1 82 TYR QB 1.800 . 4.190 3.118 2.879 3.262 . 0 0 "[ . 1 . 2]" 1
1139 1 72 MET ME 1 72 MET HG3 1.800 . 3.470 2.375 2.307 2.414 . 0 0 "[ . 1 . 2]" 1
1140 1 72 MET HG3 1 82 TYR QD 1.800 . 5.280 3.973 3.764 4.242 . 0 0 "[ . 1 . 2]" 1
1141 1 72 MET ME 1 72 MET HG2 1.800 . 3.470 2.481 2.420 2.565 . 0 0 "[ . 1 . 2]" 1
1142 1 72 MET HG2 1 82 TYR QD 1.800 . 5.280 2.491 2.342 2.751 . 0 0 "[ . 1 . 2]" 1
1143 1 72 MET H 1 72 MET ME 1.800 . 4.760 4.189 4.072 4.266 . 0 0 "[ . 1 . 2]" 1
1144 1 72 MET H 1 72 MET HG3 1.800 . 3.840 2.267 2.183 2.359 . 0 0 "[ . 1 . 2]" 1
1145 1 72 MET H 1 72 MET HG2 1.800 . 3.840 3.505 3.443 3.550 . 0 0 "[ . 1 . 2]" 1
1146 1 72 MET H 1 73 ASP H 1.800 . 5.090 4.106 3.719 4.526 . 0 0 "[ . 1 . 2]" 1
1147 1 73 ASP H 1 73 ASP QB 1.800 . 3.770 2.502 2.206 2.789 . 0 0 "[ . 1 . 2]" 1
1148 1 73 ASP H 1 74 ASN H 1.800 . 4.150 2.230 1.764 2.647 0.036 16 0 "[ . 1 . 2]" 1
1149 1 73 ASP H 1 82 TYR QE 1.800 . 4.750 4.189 3.773 4.517 . 0 0 "[ . 1 . 2]" 1
1150 1 74 ASN HA 1 75 ASN H 1.800 . 3.560 2.183 2.136 2.213 . 0 0 "[ . 1 . 2]" 1
1151 1 74 ASN HA 1 77 ALA H 1.800 . 5.830 4.379 4.201 4.872 . 0 0 "[ . 1 . 2]" 1
1152 1 74 ASN QB 1 77 ALA MB 1.800 . 3.330 2.080 1.920 2.238 . 0 0 "[ . 1 . 2]" 1
1153 1 74 ASN QB 1 77 ALA H 1.800 . 4.390 3.042 2.629 3.931 . 0 0 "[ . 1 . 2]" 1
1154 1 74 ASN QB 1 82 TYR QE 1.800 . 4.400 3.177 2.786 3.611 . 0 0 "[ . 1 . 2]" 1
1155 1 74 ASN QD 1 77 ALA MB 1.800 . 4.370 3.259 1.980 4.385 0.015 10 0 "[ . 1 . 2]" 1
1156 1 74 ASN H 1 74 ASN QB 1.800 . 3.580 2.330 2.296 2.392 . 0 0 "[ . 1 . 2]" 1
1157 1 74 ASN H 1 82 TYR QE 1.800 . 4.590 3.729 3.372 4.045 . 0 0 "[ . 1 . 2]" 1
1158 1 75 ASN HA 1 77 ALA H 1.800 . 4.520 3.554 3.302 3.680 . 0 0 "[ . 1 . 2]" 1
1159 1 75 ASN QB 1 77 ALA H 1.800 . 5.690 4.505 4.181 4.823 . 0 0 "[ . 1 . 2]" 1
1160 1 75 ASN H 1 75 ASN QB 1.800 . 3.790 2.406 2.273 2.573 . 0 0 "[ . 1 . 2]" 1
1161 1 75 ASN H 1 76 ASP H 1.800 . 4.110 2.551 2.470 2.664 . 0 0 "[ . 1 . 2]" 1
1162 1 75 ASN H 1 77 ALA MB 1.800 . 6.050 4.780 4.690 4.927 . 0 0 "[ . 1 . 2]" 1
1163 1 76 ASP QB 1 77 ALA H 1.800 . 4.290 3.506 3.282 3.935 . 0 0 "[ . 1 . 2]" 1
1164 1 76 ASP H 1 76 ASP QB 1.800 . 3.000 2.457 2.228 2.809 . 0 0 "[ . 1 . 2]" 1
1165 1 76 ASP H 1 77 ALA MB 1.800 . 4.650 4.122 3.916 4.304 . 0 0 "[ . 1 . 2]" 1
1166 1 76 ASP H 1 77 ALA H 1.800 . 3.120 2.553 2.312 2.945 . 0 0 "[ . 1 . 2]" 1
1167 1 77 ALA HA 1 78 GLN QG 1.800 . 4.860 3.699 3.612 3.840 . 0 0 "[ . 1 . 2]" 1
1168 1 77 ALA HA 1 78 GLN H 1.800 . 3.170 2.317 2.261 2.384 . 0 0 "[ . 1 . 2]" 1
1169 1 77 ALA HA 1 81 TYR QB 1.800 . 5.380 3.916 3.677 4.207 . 0 0 "[ . 1 . 2]" 1
1170 1 77 ALA MB 1 78 GLN H 1.800 . 3.390 2.642 2.421 2.759 . 0 0 "[ . 1 . 2]" 1
1171 1 77 ALA MB 1 81 TYR QB 1.800 . 3.690 2.537 2.342 2.867 . 0 0 "[ . 1 . 2]" 1
1172 1 77 ALA MB 1 81 TYR QD 1.800 . 4.190 3.213 2.941 3.364 . 0 0 "[ . 1 . 2]" 1
1173 1 77 ALA MB 1 81 TYR QE 1.800 . 4.910 4.006 3.684 4.299 . 0 0 "[ . 1 . 2]" 1
1174 1 77 ALA MB 1 81 TYR H 1.800 . 5.210 4.607 4.466 4.778 . 0 0 "[ . 1 . 2]" 1
1175 1 77 ALA MB 1 82 TYR QD 1.800 . 4.320 3.609 3.333 4.077 . 0 0 "[ . 1 . 2]" 1
1176 1 77 ALA MB 1 82 TYR QE 1.800 . 3.420 2.289 2.094 2.897 . 0 0 "[ . 1 . 2]" 1
1177 1 77 ALA H 1 77 ALA MB 1.800 . 3.030 2.250 2.190 2.339 . 0 0 "[ . 1 . 2]" 1
1178 1 77 ALA H 1 78 GLN H 1.800 . 5.220 4.635 4.590 4.659 . 0 0 "[ . 1 . 2]" 1
1179 1 78 GLN HA 1 78 GLN HG3 1.800 . 4.020 2.903 2.885 2.935 . 0 0 "[ . 1 . 2]" 1
1180 1 78 GLN HA 1 78 GLN HG2 1.800 . 4.020 2.430 2.376 2.453 . 0 0 "[ . 1 . 2]" 1
1181 1 78 GLN HA 1 79 LEU H 1.800 . 3.340 2.377 2.317 2.416 . 0 0 "[ . 1 . 2]" 1
1182 1 78 GLN HA 1 80 GLY H 1.800 . 5.020 4.396 4.265 4.457 . 0 0 "[ . 1 . 2]" 1
1183 1 78 GLN HB3 1 79 LEU H 1.800 . 4.360 2.544 2.421 2.637 . 0 0 "[ . 1 . 2]" 1
1184 1 78 GLN HB3 1 80 GLY H 1.800 . 5.420 2.814 2.694 2.877 . 0 0 "[ . 1 . 2]" 1
1185 1 78 GLN HB3 1 81 TYR H 1.800 . 5.120 3.563 3.377 3.677 . 0 0 "[ . 1 . 2]" 1
1186 1 78 GLN HB2 1 79 LEU H 1.800 . 4.360 3.769 3.707 3.847 . 0 0 "[ . 1 . 2]" 1
1187 1 78 GLN HB2 1 80 GLY H 1.800 . 5.420 3.668 3.574 3.758 . 0 0 "[ . 1 . 2]" 1
1188 1 78 GLN HB2 1 81 TYR H 1.800 . 5.120 3.085 2.909 3.259 . 0 0 "[ . 1 . 2]" 1
1189 1 78 GLN HG3 1 79 LEU H 1.800 . 5.410 4.788 4.726 4.814 . 0 0 "[ . 1 . 2]" 1
1190 1 78 GLN HG2 1 79 LEU H 1.800 . 5.410 3.915 3.788 3.961 . 0 0 "[ . 1 . 2]" 1
1191 1 78 GLN H 1 78 GLN HG3 1.800 . 4.250 2.540 2.448 2.632 . 0 0 "[ . 1 . 2]" 1
1192 1 78 GLN H 1 78 GLN HG2 1.800 . 4.250 3.753 3.681 3.798 . 0 0 "[ . 1 . 2]" 1
1193 1 78 GLN H 1 79 LEU H 1.800 . 5.200 4.623 4.601 4.643 . 0 0 "[ . 1 . 2]" 1
1194 1 78 GLN H 1 81 TYR QB 1.800 . 4.290 2.347 2.113 2.760 . 0 0 "[ . 1 . 2]" 1
1195 1 79 LEU HA 1 79 LEU MD1 1.800 . 3.410 2.091 2.074 2.104 . 0 0 "[ . 1 . 2]" 1
1196 1 79 LEU HA 1 79 LEU MD2 1.800 . 5.420 3.796 3.789 3.802 . 0 0 "[ . 1 . 2]" 1
1197 1 79 LEU HA 1 81 TYR H 1.800 . 5.330 3.636 3.538 4.003 . 0 0 "[ . 1 . 2]" 1
1198 1 79 LEU HA 1 82 TYR QB 1.800 . 5.190 4.762 4.147 4.986 . 0 0 "[ . 1 . 2]" 1
1199 1 79 LEU HA 1 82 TYR QD 1.800 . 4.320 4.222 3.771 4.349 0.029 17 0 "[ . 1 . 2]" 1
1200 1 79 LEU HA 1 82 TYR H 1.800 . 4.970 4.088 3.963 4.188 . 0 0 "[ . 1 . 2]" 1
1201 1 79 LEU HA 1 83 ALA H 1.800 . 4.940 4.422 4.182 4.637 . 0 0 "[ . 1 . 2]" 1
1202 1 79 LEU QB 1 79 LEU MD1 1.800 . 3.640 2.299 2.282 2.313 . 0 0 "[ . 1 . 2]" 1
1203 1 79 LEU QB 1 79 LEU MD2 1.800 . 3.250 2.094 2.081 2.109 . 0 0 "[ . 1 . 2]" 1
1204 1 79 LEU QB 1 80 GLY H 1.800 . 3.770 2.555 2.532 2.591 . 0 0 "[ . 1 . 2]" 1
1205 1 79 LEU MD1 1 80 GLY HA3 1.800 . 6.050 5.411 5.343 5.498 . 0 0 "[ . 1 . 2]" 1
1206 1 79 LEU MD1 1 80 GLY HA2 1.800 . 6.050 4.377 4.292 4.509 . 0 0 "[ . 1 . 2]" 1
1207 1 79 LEU MD1 1 80 GLY H 1.800 . 5.310 4.311 4.252 4.378 . 0 0 "[ . 1 . 2]" 1
1208 1 79 LEU MD1 1 82 TYR QD 1.800 . 4.650 4.440 4.174 4.638 . 0 0 "[ . 1 . 2]" 1
1209 1 79 LEU MD1 1 82 TYR H 1.800 . 5.200 4.252 4.030 4.414 . 0 0 "[ . 1 . 2]" 1
1210 1 79 LEU MD1 1 83 ALA H 1.800 . 4.550 3.642 3.401 3.938 . 0 0 "[ . 1 . 2]" 1
1211 1 79 LEU MD2 1 80 GLY H 1.800 . 5.800 4.361 4.328 4.426 . 0 0 "[ . 1 . 2]" 1
1212 1 79 LEU HG 1 80 GLY H 1.800 . 5.090 3.610 3.551 3.716 . 0 0 "[ . 1 . 2]" 1
1213 1 79 LEU HG 1 83 ALA H 1.800 . 5.140 4.380 4.217 4.574 . 0 0 "[ . 1 . 2]" 1
1214 1 79 LEU H 1 79 LEU MD1 1.800 . 5.020 4.074 4.053 4.087 . 0 0 "[ . 1 . 2]" 1
1215 1 79 LEU H 1 79 LEU MD2 1.800 . 4.990 4.286 4.263 4.314 . 0 0 "[ . 1 . 2]" 1
1216 1 79 LEU H 1 79 LEU HG 1.800 . 5.070 4.443 4.417 4.459 . 0 0 "[ . 1 . 2]" 1
1217 1 79 LEU H 1 80 GLY H 1.800 . 3.960 2.698 2.603 2.736 . 0 0 "[ . 1 . 2]" 1
1218 1 79 LEU H 1 81 TYR H 1.800 . 5.430 3.874 3.806 4.099 . 0 0 "[ . 1 . 2]" 1
1219 1 80 GLY HA3 1 83 ALA H 1.800 . 5.240 4.663 4.476 5.141 . 0 0 "[ . 1 . 2]" 1
1220 1 80 GLY HA3 1 84 ASN QB 1.800 . 5.010 4.519 2.707 5.065 0.055 17 0 "[ . 1 . 2]" 1
1221 1 80 GLY HA2 1 83 ALA H 1.800 . 5.240 3.206 3.011 3.622 . 0 0 "[ . 1 . 2]" 1
1222 1 80 GLY HA2 1 84 ASN QB 1.800 . 5.010 4.195 2.464 4.887 . 0 0 "[ . 1 . 2]" 1
1223 1 80 GLY H 1 81 TYR H 1.800 . 4.190 2.610 2.538 2.709 . 0 0 "[ . 1 . 2]" 1
1224 1 81 TYR HA 1 81 TYR QD 1.800 . 3.870 2.933 2.793 3.010 . 0 0 "[ . 1 . 2]" 1
1225 1 81 TYR QB 1 82 TYR H 1.800 . 4.040 2.424 2.392 2.467 . 0 0 "[ . 1 . 2]" 1
1226 1 81 TYR QD 1 82 TYR QD 1.800 . 4.700 2.986 2.947 3.058 . 0 0 "[ . 1 . 2]" 1
1227 1 81 TYR QD 1 82 TYR QE 1.800 . 4.080 2.988 2.950 3.138 . 0 0 "[ . 1 . 2]" 1
1228 1 81 TYR QD 1 82 TYR H 1.800 . 4.500 3.374 2.998 3.494 . 0 0 "[ . 1 . 2]" 1
1229 1 81 TYR QE 1 82 TYR QE 1.800 . 4.300 2.725 2.450 3.067 . 0 0 "[ . 1 . 2]" 1
1230 1 81 TYR H 1 81 TYR HB3 1.800 . 3.540 2.634 2.491 2.681 . 0 0 "[ . 1 . 2]" 1
1231 1 81 TYR H 1 81 TYR HB2 1.800 . 3.540 2.472 2.395 2.605 . 0 0 "[ . 1 . 2]" 1
1232 1 81 TYR H 1 81 TYR QD 1.800 . 4.630 4.187 4.152 4.208 . 0 0 "[ . 1 . 2]" 1
1233 1 81 TYR H 1 82 TYR QD 1.800 . 5.290 4.481 4.309 4.697 . 0 0 "[ . 1 . 2]" 1
1234 1 81 TYR H 1 82 TYR H 1.800 . 3.480 2.716 2.684 2.844 . 0 0 "[ . 1 . 2]" 1
1235 1 81 TYR H 1 83 ALA H 1.800 . 4.580 3.775 3.638 4.192 . 0 0 "[ . 1 . 2]" 1
1236 1 82 TYR HA 1 82 TYR QD 1.800 . 3.580 2.631 2.454 2.751 . 0 0 "[ . 1 . 2]" 1
1237 1 82 TYR QB 1 83 ALA HA 1.800 . 5.870 4.067 3.867 4.128 . 0 0 "[ . 1 . 2]" 1
1238 1 82 TYR QB 1 83 ALA MB 1.800 . 4.150 3.571 3.484 3.699 . 0 0 "[ . 1 . 2]" 1
1239 1 82 TYR QB 1 83 ALA H 1.800 . 3.600 2.723 2.294 2.852 . 0 0 "[ . 1 . 2]" 1
1240 1 82 TYR QD 1 83 ALA H 1.800 . 5.240 4.107 3.959 4.201 . 0 0 "[ . 1 . 2]" 1
1241 1 82 TYR H 1 82 TYR QB 1.800 . 3.530 2.466 2.358 2.506 . 0 0 "[ . 1 . 2]" 1
1242 1 82 TYR H 1 82 TYR QD 1.800 . 3.970 2.720 2.596 2.880 . 0 0 "[ . 1 . 2]" 1
1243 1 82 TYR H 1 83 ALA MB 1.800 . 4.870 3.970 3.857 4.323 . 0 0 "[ . 1 . 2]" 1
1244 1 82 TYR H 1 83 ALA H 1.800 . 3.130 2.103 2.032 2.491 . 0 0 "[ . 1 . 2]" 1
1245 1 83 ALA HA 1 84 ASN QB 1.800 . 5.790 4.566 4.007 4.899 . 0 0 "[ . 1 . 2]" 1
1246 1 83 ALA HA 1 84 ASN H 1.800 . 3.300 2.461 2.211 3.383 0.083 2 0 "[ . 1 . 2]" 1
1247 1 83 ALA HA 1 85 SER H 1.800 . 4.470 3.297 2.988 4.367 . 0 0 "[ . 1 . 2]" 1
1248 1 83 ALA HA 1 88 LEU MD1 1.800 . 3.850 2.226 2.068 2.760 . 0 0 "[ . 1 . 2]" 1
1249 1 83 ALA HA 1 88 LEU HG 1.800 . 5.730 4.886 4.647 5.616 . 0 0 "[ . 1 . 2]" 1
1250 1 83 ALA MB 1 84 ASN H 1.800 . 3.970 3.472 1.757 3.729 0.043 2 0 "[ . 1 . 2]" 1
1251 1 83 ALA MB 1 85 SER H 1.800 . 4.830 3.576 2.840 4.005 . 0 0 "[ . 1 . 2]" 1
1252 1 83 ALA H 1 83 ALA MB 1.800 . 3.230 2.337 2.242 2.396 . 0 0 "[ . 1 . 2]" 1
1253 1 83 ALA H 1 84 ASN H 1.800 . 5.350 3.820 3.499 4.632 . 0 0 "[ . 1 . 2]" 1
1254 1 84 ASN H 1 84 ASN QB 1.800 . 3.760 2.653 2.332 2.991 . 0 0 "[ . 1 . 2]" 1
1255 1 84 ASN H 1 85 SER H 1.800 . 3.830 2.436 1.817 3.283 . 0 0 "[ . 1 . 2]" 1
1256 1 84 ASN H 1 88 LEU MD1 1.800 . 3.750 3.113 1.994 3.776 0.026 2 0 "[ . 1 . 2]" 1
1257 1 85 SER HA 1 86 ASP H 1.800 . 3.360 2.361 2.206 3.204 . 0 0 "[ . 1 . 2]" 1
1258 1 85 SER QB 1 86 ASP H 1.800 . 3.700 3.117 1.834 3.721 0.021 2 0 "[ . 1 . 2]" 1
1259 1 85 SER QB 1 88 LEU MD1 1.800 . 4.080 2.468 2.174 3.699 . 0 0 "[ . 1 . 2]" 1
1260 1 85 SER QB 1 88 LEU HG 1.800 . 4.230 3.182 2.505 4.192 . 0 0 "[ . 1 . 2]" 1
1261 1 85 SER HB3 1 88 LEU MD2 1.800 . 4.550 3.383 2.551 4.526 . 0 0 "[ . 1 . 2]" 1
1262 1 85 SER HB2 1 88 LEU MD2 1.800 . 4.550 3.941 2.260 4.585 0.035 13 0 "[ . 1 . 2]" 1
1263 1 85 SER H 1 86 ASP H 1.800 . 5.700 4.350 3.970 4.455 . 0 0 "[ . 1 . 2]" 1
1264 1 85 SER H 1 88 LEU MD1 1.800 . 3.300 2.447 2.028 3.237 . 0 0 "[ . 1 . 2]" 1
1265 1 85 SER H 1 88 LEU HG 1.800 . 4.660 4.118 3.509 4.656 . 0 0 "[ . 1 . 2]" 1
1266 1 86 ASP HA 1 87 GLY HA3 1.800 . 5.270 4.565 4.495 4.610 . 0 0 "[ . 1 . 2]" 1
1267 1 86 ASP HA 1 87 GLY HA2 1.800 . 5.270 4.646 4.475 4.717 . 0 0 "[ . 1 . 2]" 1
1268 1 86 ASP HA 1 87 GLY H 1.800 . 3.200 2.395 2.181 2.498 . 0 0 "[ . 1 . 2]" 1
1269 1 86 ASP HA 1 88 LEU H 1.800 . 4.420 3.108 2.951 3.478 . 0 0 "[ . 1 . 2]" 1
1270 1 86 ASP HB3 1 87 GLY H 1.800 . 4.720 3.606 2.407 4.254 . 0 0 "[ . 1 . 2]" 1
1271 1 86 ASP HB2 1 87 GLY H 1.800 . 4.720 2.980 2.289 4.434 . 0 0 "[ . 1 . 2]" 1
1272 1 86 ASP H 1 87 GLY H 1.800 . 5.810 4.568 4.188 4.665 . 0 0 "[ . 1 . 2]" 1
1273 1 87 GLY H 1 88 LEU HG 1.800 . 4.700 4.181 3.454 4.370 . 0 0 "[ . 1 . 2]" 1
1274 1 87 GLY H 1 88 LEU H 1.800 . 3.690 2.396 1.862 2.548 . 0 0 "[ . 1 . 2]" 1
1275 1 88 LEU HA 1 88 LEU MD1 1.800 . 4.400 3.820 3.806 3.830 . 0 0 "[ . 1 . 2]" 1
1276 1 88 LEU HA 1 88 LEU MD2 1.800 . 3.160 2.120 2.104 2.133 . 0 0 "[ . 1 . 2]" 1
1277 1 88 LEU HA 1 89 ARG H 1.800 . 3.330 2.335 2.279 2.452 . 0 0 "[ . 1 . 2]" 1
1278 1 88 LEU QB 1 88 LEU MD2 1.800 . 3.760 2.235 2.215 2.251 . 0 0 "[ . 1 . 2]" 1
1279 1 88 LEU HB3 1 88 LEU MD1 1.800 . 3.830 2.392 2.316 2.464 . 0 0 "[ . 1 . 2]" 1
1280 1 88 LEU HB3 1 89 ARG H 1.800 . 4.380 2.687 2.374 2.789 . 0 0 "[ . 1 . 2]" 1
1281 1 88 LEU HB2 1 88 LEU MD1 1.800 . 3.830 2.322 2.247 2.404 . 0 0 "[ . 1 . 2]" 1
1282 1 88 LEU HB2 1 89 ARG H 1.800 . 4.380 3.763 3.498 3.861 . 0 0 "[ . 1 . 2]" 1
1283 1 88 LEU MD1 1 89 ARG H 1.800 . 5.740 4.623 4.357 4.714 . 0 0 "[ . 1 . 2]" 1
1284 1 88 LEU MD2 1 89 ARG H 1.800 . 4.130 3.391 3.188 3.495 . 0 0 "[ . 1 . 2]" 1
1285 1 88 LEU H 1 88 LEU HB3 1.800 . 4.100 3.628 3.614 3.644 . 0 0 "[ . 1 . 2]" 1
1286 1 88 LEU H 1 88 LEU HB2 1.800 . 4.100 2.502 2.397 2.565 . 0 0 "[ . 1 . 2]" 1
1287 1 88 LEU H 1 88 LEU MD1 1.800 . 4.270 3.568 3.525 3.601 . 0 0 "[ . 1 . 2]" 1
1288 1 88 LEU H 1 88 LEU MD2 1.800 . 4.400 3.336 3.172 3.603 . 0 0 "[ . 1 . 2]" 1
1289 1 88 LEU H 1 88 LEU HG 1.800 . 3.580 2.187 2.071 2.394 . 0 0 "[ . 1 . 2]" 1
1290 1 88 LEU H 1 89 ARG H 1.800 . 5.520 4.652 4.626 4.664 . 0 0 "[ . 1 . 2]" 1
1291 1 89 ARG HA 1 89 ARG QD 1.800 . 5.000 4.071 3.926 4.484 . 0 0 "[ . 1 . 2]" 1
1292 1 89 ARG HA 1 90 LEU HG 1.800 . 5.780 3.637 3.518 3.721 . 0 0 "[ . 1 . 2]" 1
1293 1 89 ARG HA 1 90 LEU H 1.800 . 3.320 2.177 2.123 2.290 . 0 0 "[ . 1 . 2]" 1
1294 1 89 ARG QB 1 89 ARG HE 1.800 . 5.740 2.876 2.147 4.145 . 0 0 "[ . 1 . 2]" 1
1295 1 89 ARG QD 1 90 LEU HA 1.800 . 5.870 5.805 5.583 6.142 0.272 7 0 "[ . 1 . 2]" 1
1296 1 89 ARG QG 1 91 HIS QB 1.800 . 5.870 3.922 3.613 5.924 0.054 7 0 "[ . 1 . 2]" 1
1297 1 89 ARG HG3 1 90 LEU H 1.800 . 4.640 3.213 2.833 4.754 0.114 7 0 "[ . 1 . 2]" 1
1298 1 89 ARG HG2 1 90 LEU H 1.800 . 4.640 3.130 2.806 4.697 0.057 17 0 "[ . 1 . 2]" 1
1299 1 89 ARG H 1 90 LEU H 1.800 . 5.120 4.381 4.342 4.481 . 0 0 "[ . 1 . 2]" 1
1300 1 90 LEU HA 1 90 LEU MD1 1.800 . 4.790 3.823 3.814 3.842 . 0 0 "[ . 1 . 2]" 1
1301 1 90 LEU HA 1 90 LEU MD2 1.800 . 3.280 2.120 2.107 2.160 . 0 0 "[ . 1 . 2]" 1
1302 1 90 LEU HA 1 91 HIS H 1.800 . 3.340 2.179 2.132 2.240 . 0 0 "[ . 1 . 2]" 1
1303 1 90 LEU HB3 1 90 LEU MD1 1.800 . 3.970 2.367 2.329 2.470 . 0 0 "[ . 1 . 2]" 1
1304 1 90 LEU HB3 1 90 LEU MD2 1.800 . 4.040 2.290 2.247 2.308 . 0 0 "[ . 1 . 2]" 1
1305 1 90 LEU HB3 1 91 HIS H 1.800 . 5.100 3.343 3.158 3.972 . 0 0 "[ . 1 . 2]" 1
1306 1 90 LEU HB2 1 90 LEU MD1 1.800 . 3.970 2.357 2.265 2.397 . 0 0 "[ . 1 . 2]" 1
1307 1 90 LEU HB2 1 90 LEU MD2 1.800 . 4.040 3.211 3.205 3.214 . 0 0 "[ . 1 . 2]" 1
1308 1 90 LEU HB2 1 91 HIS H 1.800 . 5.100 4.163 4.065 4.489 . 0 0 "[ . 1 . 2]" 1
1309 1 90 LEU MD2 1 91 HIS H 1.800 . 4.400 3.658 3.571 3.915 . 0 0 "[ . 1 . 2]" 1
1310 1 90 LEU H 1 90 LEU QB 1.800 . 3.920 2.526 2.486 2.650 . 0 0 "[ . 1 . 2]" 1
1311 1 90 LEU H 1 90 LEU MD1 1.800 . 5.140 3.807 3.760 4.078 . 0 0 "[ . 1 . 2]" 1
1312 1 90 LEU H 1 90 LEU MD2 1.800 . 5.250 3.530 3.440 3.988 . 0 0 "[ . 1 . 2]" 1
1313 1 90 LEU H 1 90 LEU HG 1.800 . 3.980 2.529 2.453 3.082 . 0 0 "[ . 1 . 2]" 1
1314 1 91 HIS HA 1 92 VAL HA 1.800 . 6.050 4.463 4.444 4.475 . 0 0 "[ . 1 . 2]" 1
1315 1 91 HIS HA 1 92 VAL MG2 1.800 . 4.630 3.711 3.523 3.885 . 0 0 "[ . 1 . 2]" 1
1316 1 91 HIS HA 1 92 VAL H 1.800 . 3.390 2.169 2.115 2.188 . 0 0 "[ . 1 . 2]" 1
1317 1 91 HIS QB 1 93 VAL MG2 1.800 . 5.360 3.756 3.484 4.027 . 0 0 "[ . 1 . 2]" 1
1318 1 91 HIS HB3 1 92 VAL H 1.800 . 5.810 4.231 4.127 4.363 . 0 0 "[ . 1 . 2]" 1
1319 1 91 HIS HB2 1 92 VAL H 1.800 . 5.810 4.354 4.250 4.457 . 0 0 "[ . 1 . 2]" 1
1320 1 91 HIS HD2 1 93 VAL MG1 1.800 . 5.100 4.408 4.184 4.572 . 0 0 "[ . 1 . 2]" 1
1321 1 91 HIS HD2 1 93 VAL MG2 1.800 . 3.550 2.190 2.071 2.456 . 0 0 "[ . 1 . 2]" 1
1322 1 91 HIS HE1 1 93 VAL MG2 1.800 . 4.910 4.514 4.073 4.932 0.022 1 0 "[ . 1 . 2]" 1
1323 1 91 HIS H 1 92 VAL H 1.800 . 5.620 4.374 4.272 4.490 . 0 0 "[ . 1 . 2]" 1
1324 1 92 VAL HA 1 92 VAL MG1 1.800 . 3.810 2.356 2.255 2.416 . 0 0 "[ . 1 . 2]" 1
1325 1 92 VAL HA 1 92 VAL MG2 1.800 . 3.440 2.338 2.261 2.433 . 0 0 "[ . 1 . 2]" 1
1326 1 92 VAL HA 1 93 VAL H 1.800 . 3.170 2.186 2.145 2.214 . 0 0 "[ . 1 . 2]" 1
1327 1 92 VAL HB 1 93 VAL H 1.800 . 4.920 4.218 4.102 4.289 . 0 0 "[ . 1 . 2]" 1
1328 1 92 VAL MG1 1 93 VAL H 1.800 . 4.060 2.633 2.498 2.832 . 0 0 "[ . 1 . 2]" 1
1329 1 92 VAL MG1 1 94 ASP QB 1.800 . 4.000 3.387 2.752 4.061 0.061 12 0 "[ . 1 . 2]" 1
1330 1 92 VAL MG1 1 94 ASP H 1.800 . 4.490 3.794 3.247 4.166 . 0 0 "[ . 1 . 2]" 1
1331 1 92 VAL MG2 1 93 VAL H 1.800 . 4.730 3.995 3.857 4.175 . 0 0 "[ . 1 . 2]" 1
1332 1 92 VAL H 1 92 VAL HB 1.800 . 3.740 2.465 2.387 2.590 . 0 0 "[ . 1 . 2]" 1
1333 1 92 VAL H 1 92 VAL MG2 1.800 . 3.620 2.494 2.155 2.767 . 0 0 "[ . 1 . 2]" 1
1334 1 92 VAL H 1 93 VAL MG2 1.800 . 5.150 4.414 4.175 4.644 . 0 0 "[ . 1 . 2]" 1
1335 1 92 VAL H 1 93 VAL H 1.800 . 5.120 4.491 4.439 4.530 . 0 0 "[ . 1 . 2]" 1
1336 1 93 VAL HA 1 93 VAL MG1 1.800 . 3.450 2.300 2.219 2.365 . 0 0 "[ . 1 . 2]" 1
1337 1 93 VAL HA 1 93 VAL MG2 1.800 . 3.620 2.376 2.259 2.539 . 0 0 "[ . 1 . 2]" 1
1338 1 93 VAL HA 1 94 ASP QB 1.800 . 5.870 4.330 4.081 4.646 . 0 0 "[ . 1 . 2]" 1
1339 1 93 VAL HA 1 94 ASP H 1.800 . 3.340 2.182 2.108 2.256 . 0 0 "[ . 1 . 2]" 1
1340 1 93 VAL HB 1 94 ASP H 1.800 . 5.060 4.326 4.133 4.454 . 0 0 "[ . 1 . 2]" 1
1341 1 93 VAL MG1 1 94 ASP H 1.800 . 3.850 3.022 2.629 3.370 . 0 0 "[ . 1 . 2]" 1
1342 1 93 VAL MG1 1 95 SER H 1.800 . 5.300 4.055 3.572 4.799 . 0 0 "[ . 1 . 2]" 1
1343 1 93 VAL MG2 1 94 ASP H 1.800 . 5.530 4.170 4.021 4.300 . 0 0 "[ . 1 . 2]" 1
1344 1 93 VAL H 1 93 VAL HB 1.800 . 3.790 2.590 2.495 2.773 . 0 0 "[ . 1 . 2]" 1
1345 1 93 VAL H 1 93 VAL MG2 1.800 . 3.660 2.547 2.120 2.734 . 0 0 "[ . 1 . 2]" 1
1346 1 93 VAL H 1 94 ASP H 1.800 . 5.220 4.265 4.045 4.414 . 0 0 "[ . 1 . 2]" 1
1347 1 94 ASP HA 1 95 SER H 1.800 . 3.550 2.192 2.144 2.246 . 0 0 "[ . 1 . 2]" 1
1348 1 94 ASP QB 1 95 SER HA 1.800 . 5.870 4.643 4.121 5.171 . 0 0 "[ . 1 . 2]" 1
1349 1 94 ASP QB 1 95 SER H 1.800 . 4.280 3.586 2.947 3.946 . 0 0 "[ . 1 . 2]" 1
1350 1 94 ASP H 1 94 ASP HB3 1.800 . 4.290 3.020 2.419 3.725 . 0 0 "[ . 1 . 2]" 1
1351 1 94 ASP H 1 94 ASP HB2 1.800 . 4.290 3.032 2.383 3.824 . 0 0 "[ . 1 . 2]" 1
1352 1 94 ASP H 1 95 SER H 1.800 . 4.700 4.311 4.030 4.577 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 62
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 327.341
_Distance_constraint_stats_list.Viol_max 0.137
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.0472
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 14 ASP 0.559 0.075 4 0 "[ . 1 . 2]"
1 17 LYS 0.548 0.081 8 0 "[ . 1 . 2]"
1 18 VAL 1.553 0.123 13 0 "[ . 1 . 2]"
1 19 ASN 0.211 0.049 7 0 "[ . 1 . 2]"
1 20 VAL 2.556 0.137 10 0 "[ . 1 . 2]"
1 21 SER 0.176 0.071 4 0 "[ . 1 . 2]"
1 23 SER 0.974 0.113 18 0 "[ . 1 . 2]"
1 29 ALA 2.556 0.137 10 0 "[ . 1 . 2]"
1 32 VAL 1.553 0.123 13 0 "[ . 1 . 2]"
1 35 ALA 0.767 0.104 19 0 "[ . 1 . 2]"
1 36 LYS 1.538 0.104 15 0 "[ . 1 . 2]"
1 38 LEU 1.502 0.104 19 0 "[ . 1 . 2]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.055 0.048 9 0 "[ . 1 . 2]"
1 41 ALA 0.445 0.073 10 0 "[ . 1 . 2]"
1 42 GLN 0.223 0.071 15 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.574 0.100 9 0 "[ . 1 . 2]"
1 45 THR 1.794 0.114 3 0 "[ . 1 . 2]"
1 46 LYS 0.242 0.071 15 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.519 0.100 9 0 "[ . 1 . 2]"
1 49 ILE 1.349 0.114 3 0 "[ . 1 . 2]"
1 50 LEU 0.020 0.014 16 0 "[ . 1 . 2]"
1 59 LYS 0.753 0.104 4 0 "[ . 1 . 2]"
1 61 GLN 1.673 0.136 5 0 "[ . 1 . 2]"
1 62 VAL 0.036 0.036 14 0 "[ . 1 . 2]"
1 63 PHE 1.289 0.099 19 0 "[ . 1 . 2]"
1 64 LYS 0.702 0.115 9 0 "[ . 1 . 2]"
1 67 THR 0.702 0.115 9 0 "[ . 1 . 2]"
1 70 SER 0.036 0.036 14 0 "[ . 1 . 2]"
1 74 ASN 0.078 0.023 18 0 "[ . 1 . 2]"
1 77 ALA 0.078 0.023 18 0 "[ . 1 . 2]"
1 79 LEU 0.904 0.100 7 0 "[ . 1 . 2]"
1 80 GLY 0.979 0.104 15 0 "[ . 1 . 2]"
1 83 ALA 0.169 0.067 17 0 "[ . 1 . 2]"
1 87 GLY 0.548 0.081 8 0 "[ . 1 . 2]"
1 88 LEU 0.191 0.049 7 0 "[ . 1 . 2]"
1 89 ARG 1.289 0.099 19 0 "[ . 1 . 2]"
1 90 LEU 0.180 0.071 4 0 "[ . 1 . 2]"
1 91 HIS 1.673 0.136 5 0 "[ . 1 . 2]"
1 92 VAL 0.988 0.113 18 0 "[ . 1 . 2]"
1 93 VAL 0.753 0.104 4 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 19 ASN H 1 88 LEU O 1.700 . 2.300 2.213 1.909 2.349 0.049 7 0 "[ . 1 . 2]" 2
2 1 19 ASN N 1 88 LEU O 2.700 2.700 3.300 3.159 2.875 3.298 . 0 0 "[ . 1 . 2]" 2
3 1 20 VAL H 1 29 ALA O 1.700 . 2.300 2.332 2.246 2.379 0.079 9 0 "[ . 1 . 2]" 2
4 1 20 VAL N 1 29 ALA O 2.700 2.700 3.300 3.302 3.209 3.360 0.060 9 0 "[ . 1 . 2]" 2
5 1 21 SER H 1 90 LEU O 1.700 . 2.300 2.170 1.817 2.371 0.071 4 0 "[ . 1 . 2]" 2
6 1 21 SER N 1 90 LEU O 2.700 2.700 3.300 3.091 2.770 3.294 . 0 0 "[ . 1 . 2]" 2
7 1 23 SER H 1 92 VAL O 1.700 . 2.300 2.331 2.163 2.413 0.113 18 0 "[ . 1 . 2]" 2
8 1 23 SER N 1 92 VAL O 2.700 2.700 3.300 3.237 3.120 3.325 0.025 3 0 "[ . 1 . 2]" 2
9 1 20 VAL O 1 29 ALA H 1.700 . 2.300 2.325 1.996 2.437 0.137 10 0 "[ . 1 . 2]" 2
10 1 20 VAL O 1 29 ALA N 2.700 2.700 3.300 3.228 2.944 3.320 0.020 8 0 "[ . 1 . 2]" 2
11 1 18 VAL O 1 32 VAL H 1.700 . 2.300 2.292 1.788 2.423 0.123 13 0 "[ . 1 . 2]" 2
12 1 18 VAL O 1 32 VAL N 2.700 2.700 3.300 3.219 2.757 3.354 0.054 9 0 "[ . 1 . 2]" 2
13 1 14 ASP O 1 36 LYS H 1.700 . 2.300 2.301 2.069 2.375 0.075 4 0 "[ . 1 . 2]" 2
14 1 14 ASP O 1 36 LYS N 2.700 2.700 3.300 3.235 3.005 3.306 0.006 12 0 "[ . 1 . 2]" 2
15 1 35 ALA O 1 38 LEU H 1.700 . 2.300 2.318 2.199 2.404 0.104 19 0 "[ . 1 . 2]" 2
16 1 35 ALA O 1 38 LEU N 2.700 2.700 3.300 3.249 3.112 3.343 0.043 19 0 "[ . 1 . 2]" 2
17 1 39 THR O 1 43 LEU H 1.700 . 2.300 2.101 1.909 2.259 . 0 0 "[ . 1 . 2]" 2
18 1 39 THR O 1 43 LEU N 2.700 2.700 3.300 2.996 2.832 3.092 . 0 0 "[ . 1 . 2]" 2
19 1 40 VAL O 1 44 LYS H 1.700 . 2.300 2.031 1.693 2.228 0.007 9 0 "[ . 1 . 2]" 2
20 1 40 VAL O 1 44 LYS N 2.700 2.700 3.300 2.960 2.652 3.139 0.048 9 0 "[ . 1 . 2]" 2
21 1 41 ALA O 1 45 THR H 1.700 . 2.300 2.292 2.091 2.373 0.073 10 0 "[ . 1 . 2]" 2
22 1 41 ALA O 1 45 THR N 2.700 2.700 3.300 3.216 3.024 3.313 0.013 10 0 "[ . 1 . 2]" 2
23 1 42 GLN O 1 46 LYS H 1.700 . 2.300 2.208 1.754 2.371 0.071 15 0 "[ . 1 . 2]" 2
24 1 42 GLN O 1 46 LYS N 2.700 2.700 3.300 3.157 2.690 3.320 0.020 15 0 "[ . 1 . 2]" 2
25 1 43 LEU O 1 47 LEU H 1.700 . 2.300 1.969 1.829 2.054 . 0 0 "[ . 1 . 2]" 2
26 1 43 LEU O 1 47 LEU N 2.700 2.700 3.300 2.928 2.793 3.009 . 0 0 "[ . 1 . 2]" 2
27 1 44 LYS O 1 48 GLU H 1.700 . 2.300 1.798 1.705 2.026 . 0 0 "[ . 1 . 2]" 2
28 1 44 LYS O 1 48 GLU N 2.700 2.700 3.300 2.707 2.600 2.924 0.100 9 0 "[ . 1 . 2]" 2
29 1 45 THR O 1 49 ILE H 1.700 . 2.300 2.350 2.235 2.414 0.114 3 0 "[ . 1 . 2]" 2
30 1 45 THR O 1 49 ILE N 2.700 2.700 3.300 3.283 3.120 3.354 0.054 17 0 "[ . 1 . 2]" 2
31 1 46 LYS O 1 50 LEU H 1.700 . 2.300 2.227 2.117 2.314 0.014 16 0 "[ . 1 . 2]" 2
32 1 46 LYS O 1 50 LEU N 2.700 2.700 3.300 3.182 3.073 3.286 . 0 0 "[ . 1 . 2]" 2
33 1 59 LYS H 1 93 VAL O 1.700 . 2.300 2.273 2.032 2.391 0.091 4 0 "[ . 1 . 2]" 2
34 1 59 LYS N 1 93 VAL O 2.700 2.700 3.300 3.154 2.990 3.300 . 0 0 "[ . 1 . 2]" 2
35 1 61 GLN H 1 91 HIS O 1.700 . 2.300 2.370 2.320 2.436 0.136 5 0 "[ . 1 . 2]" 2
36 1 61 GLN N 1 91 HIS O 2.700 2.700 3.300 3.257 3.165 3.322 0.022 1 0 "[ . 1 . 2]" 2
37 1 62 VAL H 1 70 SER O 1.700 . 2.300 2.170 1.987 2.336 0.036 14 0 "[ . 1 . 2]" 2
38 1 62 VAL N 1 70 SER O 2.700 2.700 3.300 3.069 2.933 3.226 . 0 0 "[ . 1 . 2]" 2
39 1 63 PHE H 1 89 ARG O 1.700 . 2.300 2.096 1.868 2.244 . 0 0 "[ . 1 . 2]" 2
40 1 63 PHE N 1 89 ARG O 2.700 2.700 3.300 3.007 2.794 3.188 . 0 0 "[ . 1 . 2]" 2
41 1 64 LYS H 1 67 THR O 1.700 . 2.300 2.288 2.016 2.415 0.115 9 0 "[ . 1 . 2]" 2
42 1 64 LYS N 1 67 THR O 2.700 2.700 3.300 3.179 2.927 3.331 0.031 9 0 "[ . 1 . 2]" 2
43 1 74 ASN O 1 77 ALA H 1.700 . 2.300 2.246 2.112 2.323 0.023 18 0 "[ . 1 . 2]" 2
44 1 74 ASN O 1 77 ALA N 2.700 2.700 3.300 3.149 3.001 3.243 . 0 0 "[ . 1 . 2]" 2
45 1 38 LEU O 1 79 LEU H 1.700 . 2.300 1.813 1.750 1.915 . 0 0 "[ . 1 . 2]" 2
46 1 38 LEU O 1 79 LEU N 2.700 2.700 3.300 2.668 2.600 2.773 0.100 7 0 "[ . 1 . 2]" 2
47 1 36 LYS O 1 80 GLY H 1.700 . 2.300 2.300 2.066 2.404 0.104 15 0 "[ . 1 . 2]" 2
48 1 36 LYS O 1 80 GLY N 2.700 2.700 3.300 3.183 2.803 3.335 0.035 15 0 "[ . 1 . 2]" 2
49 1 79 LEU O 1 83 ALA H 1.700 . 2.300 2.197 2.033 2.367 0.067 17 0 "[ . 1 . 2]" 2
50 1 79 LEU O 1 83 ALA N 2.700 2.700 3.300 3.109 2.944 3.258 . 0 0 "[ . 1 . 2]" 2
51 1 17 LYS O 1 87 GLY H 1.700 . 2.300 2.284 1.973 2.381 0.081 8 0 "[ . 1 . 2]" 2
52 1 17 LYS O 1 87 GLY N 2.700 2.700 3.300 3.236 2.897 3.331 0.031 10 0 "[ . 1 . 2]" 2
53 1 63 PHE O 1 89 ARG H 1.700 . 2.300 2.344 2.137 2.399 0.099 19 0 "[ . 1 . 2]" 2
54 1 63 PHE O 1 89 ARG N 2.700 2.700 3.300 3.271 3.087 3.345 0.045 10 0 "[ . 1 . 2]" 2
55 1 19 ASN O 1 90 LEU H 1.700 . 2.300 1.922 1.770 2.319 0.019 7 0 "[ . 1 . 2]" 2
56 1 19 ASN O 1 90 LEU N 2.700 2.700 3.300 2.883 2.734 3.134 . 0 0 "[ . 1 . 2]" 2
57 1 61 GLN O 1 91 HIS H 1.700 . 2.300 2.200 1.941 2.371 0.071 15 0 "[ . 1 . 2]" 2
58 1 61 GLN O 1 91 HIS N 2.700 2.700 3.300 3.155 2.918 3.343 0.043 15 0 "[ . 1 . 2]" 2
59 1 21 SER O 1 92 VAL H 1.700 . 2.300 1.933 1.705 2.289 . 0 0 "[ . 1 . 2]" 2
60 1 21 SER O 1 92 VAL N 2.700 2.700 3.300 2.890 2.685 3.205 0.015 20 0 "[ . 1 . 2]" 2
61 1 59 LYS O 1 93 VAL H 1.700 . 2.300 2.117 1.728 2.404 0.104 4 0 "[ . 1 . 2]" 2
62 1 59 LYS O 1 93 VAL N 2.700 2.700 3.300 3.073 2.700 3.337 0.037 4 0 "[ . 1 . 2]" 2
stop_
save_
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