NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382417 |
1jgn   |
5084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jgn
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 1694
_Distance_constraint_stats_list.Viol_count 3362
_Distance_constraint_stats_list.Viol_total 7521.021
_Distance_constraint_stats_list.Viol_max 2.628
_Distance_constraint_stats_list.Viol_rms 0.0374
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.0746
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 LEU 0.015 0.009 3 0 "[ . 1 . 2 . 3]"
1 4 GLY 0.015 0.009 3 0 "[ . 1 . 2 . 3]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 PRO 1.945 0.338 30 0 "[ . 1 . 2 . 3]"
1 7 LEU 1.985 0.338 30 0 "[ . 1 . 2 . 3]"
1 8 THR 6.699 0.096 26 0 "[ . 1 . 2 . 3]"
1 9 ALA 0.591 0.034 20 0 "[ . 1 . 2 . 3]"
1 10 SER 1.227 0.056 12 0 "[ . 1 . 2 . 3]"
1 11 MET 13.624 0.984 14 7 "[* -. *1 +. * . **3]"
1 12 LEU 1.290 0.061 2 0 "[ . 1 . 2 . 3]"
1 13 ALA 2.215 0.161 4 0 "[ . 1 . 2 . 3]"
1 14 SER 15.822 0.984 14 7 "[* -. *1 +. * . **3]"
1 15 ALA 7.564 0.475 26 0 "[ . 1 . 2 . 3]"
1 18 GLN 3.786 0.451 16 0 "[ . 1 . 2 . 3]"
1 19 GLU 4.220 0.475 26 0 "[ . 1 . 2 . 3]"
1 20 GLN 7.449 0.543 23 1 "[ . 1 . 2 + . 3]"
1 21 LYS 3.731 0.355 18 0 "[ . 1 . 2 . 3]"
1 22 GLN 0.959 0.355 18 0 "[ . 1 . 2 . 3]"
1 23 MET 2.612 0.092 18 0 "[ . 1 . 2 . 3]"
1 24 LEU 4.257 0.100 17 0 "[ . 1 . 2 . 3]"
1 25 GLY 5.414 0.178 30 0 "[ . 1 . 2 . 3]"
1 26 GLU 4.859 0.416 8 0 "[ . 1 . 2 . 3]"
1 27 ARG 9.992 0.560 30 1 "[ . 1 . 2 . +]"
1 28 LEU 13.541 0.383 19 0 "[ . 1 . 2 . 3]"
1 29 PHE 6.363 0.106 23 0 "[ . 1 . 2 . 3]"
1 31 LEU 16.133 0.412 22 0 "[ . 1 . 2 . 3]"
1 32 ILE 8.142 0.129 28 0 "[ . 1 . 2 . 3]"
1 33 GLN 3.323 0.121 21 0 "[ . 1 . 2 . 3]"
1 34 ALA 2.225 0.096 26 0 "[ . 1 . 2 . 3]"
1 35 MET 6.710 0.128 29 0 "[ . 1 . 2 . 3]"
1 36 HIS 3.164 0.139 29 0 "[ . 1 . 2 . 3]"
1 38 THR 1.049 0.139 29 0 "[ . 1 . 2 . 3]"
1 39 LEU 7.343 0.816 28 9 "[* * . * 1 . -* * ** + 3]"
1 40 ALA 11.517 0.816 28 8 "[* * . * 1 . -* ** + 3]"
1 41 GLY 2.176 0.123 13 0 "[ . 1 . 2 . 3]"
1 42 LYS 5.827 0.739 23 2 "[ . 1 . 2 + .- 3]"
1 43 ILE 4.680 0.245 4 0 "[ . 1 . 2 . 3]"
1 44 THR 3.895 0.148 24 0 "[ . 1 . 2 . 3]"
1 45 GLY 11.248 0.571 22 5 "[ . 1 *-*. * 2 + . 3]"
1 46 MET 10.100 0.912 23 2 "[ . 1 . 2- + . 3]"
1 47 LEU 2.408 0.077 21 0 "[ . 1 . 2 . 3]"
1 48 LEU 4.456 0.753 23 1 "[ . 1 . 2 + . 3]"
1 49 GLU 7.299 0.912 23 2 "[ . 1 . 2- + . 3]"
1 50 ILE 8.251 0.560 19 4 "[ - . * 1 . +2* . 3]"
1 51 ASP 2.660 0.062 26 0 "[ . 1 . 2 . 3]"
1 52 ASN 6.902 0.449 8 0 "[ . 1 . 2 . 3]"
1 53 SER 0.567 0.047 11 0 "[ . 1 . 2 . 3]"
1 54 GLU 0.085 0.055 29 0 "[ . 1 . 2 . 3]"
1 55 LEU 15.005 0.560 30 1 "[ . 1 . 2 . +]"
1 56 LEU 2.971 0.098 24 0 "[ . 1 . 2 . 3]"
1 57 HIS 0.918 0.061 1 0 "[ . 1 . 2 . 3]"
1 58 MET 4.889 0.398 29 0 "[ . 1 . 2 . 3]"
1 59 LEU 3.447 0.231 14 0 "[ . 1 . 2 . 3]"
1 60 GLU 2.490 0.094 29 0 "[ . 1 . 2 . 3]"
1 61 SER 3.590 0.568 22 1 "[ . 1 . 2 + . 3]"
1 63 GLU 3.619 0.956 7 3 "[ . + 1 - . 2 . *]"
1 64 SER 6.236 0.588 22 2 "[ . 1 . 2 + . - 3]"
1 65 LEU 9.344 0.588 22 2 "[ . 1 . 2 + . - 3]"
1 66 ARG 1.293 0.132 20 0 "[ . 1 . 2 . 3]"
1 67 SER 0.625 0.040 19 0 "[ . 1 . 2 . 3]"
1 68 LYS 11.324 0.560 19 4 "[ - . * 1 . +2* . 3]"
1 69 VAL 0.849 0.040 19 0 "[ . 1 . 2 . 3]"
1 70 ASP 0.123 0.035 8 0 "[ . 1 . 2 . 3]"
1 71 GLU 13.834 0.688 7 8 "[ * .*+- 1* . ** *. 3]"
1 72 ALA 16.072 0.508 6 1 "[ .+ 1 . 2 . 3]"
1 73 VAL 2.054 0.078 22 0 "[ . 1 . 2 . 3]"
1 74 ALA 1.603 0.089 20 0 "[ . 1 . 2 . 3]"
1 75 VAL 15.689 0.688 7 8 "[ * .*+- 1* . ** *. 3]"
1 76 LEU 1.203 0.127 28 0 "[ . 1 . 2 . 3]"
1 77 GLN 1.303 0.127 28 0 "[ . 1 . 2 . 3]"
1 78 ALA 0.161 0.034 22 0 "[ . 1 . 2 . 3]"
1 79 HIS 2.793 0.628 26 1 "[ . 1 . 2 .+ 3]"
1 80 GLN 3.502 0.763 9 2 "[ . +1 . 2- . 3]"
1 81 ALA 0.315 0.108 24 0 "[ . 1 . 2 . 3]"
1 82 LYS 0.036 0.030 11 0 "[ . 1 . 2 . 3]"
1 83 GLU 3.074 2.628 30 1 "[ . 1 . 2 . +]"
1 84 ALA 0.509 0.209 13 0 "[ . 1 . 2 . 3]"
1 85 ALA 0.198 0.102 28 0 "[ . 1 . 2 . 3]"
1 86 GLN 5.413 2.628 30 3 "[ . - 1 . 2 *. +]"
1 87 LYS 0.470 0.211 19 0 "[ . 1 . 2 . 3]"
1 88 ALA 0.026 0.016 10 0 "[ . 1 . 2 . 3]"
1 89 VAL 5.134 0.435 10 0 "[ . 1 . 2 . 3]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 93 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 96 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 98 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 VAL 0.041 0.032 4 0 "[ . 1 . 2 . 3]"
2 2 VAL 0.309 0.164 4 0 "[ . 1 . 2 . 3]"
2 3 LYS 2.100 0.346 7 0 "[ . 1 . 2 . 3]"
2 4 SER 0.734 0.294 15 0 "[ . 1 . 2 . 3]"
2 5 ASN 0.029 0.018 12 0 "[ . 1 . 2 . 3]"
2 6 LEU 2.594 0.284 12 0 "[ . 1 . 2 . 3]"
2 7 ASN 0.890 0.077 21 0 "[ . 1 . 2 . 3]"
2 8 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 9 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 10 ALA 0.650 0.056 29 0 "[ . 1 . 2 . 3]"
2 11 LYS 10.987 0.586 21 1 "[ . 1 . 2+ . 3]"
2 12 GLU 2.583 0.348 21 0 "[ . 1 . 2 . 3]"
2 13 PHE 14.847 0.571 22 5 "[ . 1 *-*. * 2 + . 3]"
2 14 VAL 7.293 0.221 24 0 "[ . 1 . 2 . 3]"
2 16 GLY 0.633 0.081 2 0 "[ . 1 . 2 . 3]"
2 17 VAL 3.880 0.790 18 4 "[ * .* 1 . +-2 . 3]"
2 18 LYS 0.510 0.048 18 0 "[ . 1 . 2 . 3]"
2 19 TYR 0.758 0.539 18 1 "[ . 1 . + 2 . 3]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 21 ASN 0.527 0.135 22 0 "[ . 1 . 2 . 3]"
2 22 ILE 0.527 0.135 22 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H 2.800 . 3.800 2.778 2.149 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 PRO QB 1 3 LEU H 4.000 . 5.500 3.133 2.082 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 3 LEU H 1 3 LEU QB 2.700 . 3.600 2.360 2.068 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 4 GLY H 1 4 GLY QA 2.500 . 3.300 2.266 2.222 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 SER H 1 5 SER HA 2.800 . 3.800 2.895 2.868 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 5 SER H 1 5 SER HB3 4.000 . 5.500 3.002 2.232 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 6 PRO HB3 1 7 LEU H 2.800 . 5.500 3.835 2.579 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 PRO HB2 1 7 LEU H 2.700 . 5.500 3.346 1.699 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 6 PRO HG2 1 7 LEU H 3.200 . 5.500 4.676 2.444 5.838 0.338 30 0 "[ . 1 . 2 . 3]" 1
10 1 8 THR H 1 8 THR HA 2.400 . 3.100 2.892 2.887 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 8 THR H 1 8 THR MG 2.300 . 3.000 2.116 1.744 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 9 ALA H 1 9 ALA HA 2.600 . 3.400 2.819 2.808 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 9 ALA H 1 9 ALA MB 2.200 . 2.800 2.147 2.054 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 10 SER H 1 10 SER HA 2.700 . 3.600 2.855 2.841 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 10 SER H 1 10 SER QB 3.100 . 4.300 2.233 2.140 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 11 MET H 1 11 MET HA 2.500 . 3.300 2.831 2.828 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 11 MET H 1 11 MET HG3 2.500 . 3.300 2.470 2.391 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 11 MET H 1 11 MET HG2 3.000 . 4.100 2.635 2.527 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 11 MET H 1 11 MET HB2 2.500 . 3.300 2.632 2.542 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 11 MET H 1 11 MET HB3 2.600 . 5.500 3.612 3.600 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 12 LEU H 1 12 LEU HB2 2.000 . 2.500 2.258 2.064 2.561 0.061 2 0 "[ . 1 . 2 . 3]" 1
22 1 12 LEU H 1 12 LEU QD 2.600 . 3.400 2.636 2.391 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 13 ALA H 1 13 ALA MB 2.000 . 2.500 2.075 2.032 2.154 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 14 SER H 1 14 SER HA 2.400 . 3.100 2.931 2.929 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 14 SER H 1 14 SER HB2 2.200 . 2.800 2.728 2.249 3.686 0.886 29 7 "[- *. *1 *. * . *+3]" 1
26 1 15 ALA H 1 15 ALA HA 2.500 . 3.300 2.936 2.909 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 15 ALA H 1 15 ALA MB 2.100 . 2.700 2.518 2.416 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 18 GLN H 1 18 GLN HA 2.500 . 3.300 2.853 2.738 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 18 GLN H 1 18 GLN HG3 2.800 . 3.800 2.954 1.790 4.021 0.221 16 0 "[ . 1 . 2 . 3]" 1
30 1 18 GLN H 1 18 GLN QB 2.100 . 2.700 2.275 2.066 2.806 0.106 22 0 "[ . 1 . 2 . 3]" 1
31 1 19 GLU H 1 19 GLU HA 2.600 . 3.400 2.913 2.888 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 19 GLU H 1 19 GLU QG 2.500 . 5.500 3.853 3.027 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 19 GLU H 1 19 GLU HB3 2.500 . 3.300 3.090 2.631 3.472 0.172 27 0 "[ . 1 . 2 . 3]" 1
34 1 19 GLU H 1 19 GLU HB2 2.200 . 2.800 2.309 2.125 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 20 GLN H 1 20 GLN HA 2.600 . 3.400 2.743 2.710 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 20 GLN H 1 20 GLN HG3 2.900 . 4.000 2.216 1.417 4.429 0.429 12 0 "[ . 1 . 2 . 3]" 1
37 1 20 GLN H 1 20 GLN QB 2.500 . 5.500 2.704 2.079 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 21 LYS H 1 21 LYS HB2 2.300 . 5.500 3.473 2.584 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 21 LYS H 1 21 LYS HB3 2.400 . 3.100 2.955 2.348 3.105 0.005 7 0 "[ . 1 . 2 . 3]" 1
40 1 21 LYS H 1 21 LYS HG2 3.100 . 4.300 3.125 2.370 4.384 0.084 26 0 "[ . 1 . 2 . 3]" 1
41 1 21 LYS H 1 21 LYS HD2 2.700 . 5.500 3.408 2.509 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 21 LYS H 1 21 LYS HA 2.600 . 3.400 2.759 2.746 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 22 GLN H 1 22 GLN HA 2.500 . 3.300 2.862 2.851 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 22 GLN H 1 22 GLN QG 2.200 . 5.500 3.967 3.912 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 22 GLN H 1 22 GLN QB 2.300 . 3.000 2.253 2.226 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 21 LYS H 1 21 LYS QE 3.700 . 5.400 3.701 2.664 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 23 MET H 1 23 MET HA 2.600 . 3.400 2.822 2.809 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 23 MET H 1 23 MET HG3 2.400 . 5.500 1.569 1.360 1.723 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 23 MET H 1 23 MET HG2 2.600 . 3.400 3.145 2.671 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 23 MET H 1 23 MET HB2 2.400 . 5.500 3.420 3.386 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 23 MET H 1 23 MET HB3 2.600 . 3.400 3.168 3.059 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 24 LEU H 1 24 LEU HA 2.700 . 3.600 2.766 2.744 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 24 LEU H 1 24 LEU HB2 2.900 . 4.000 3.478 3.403 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 24 LEU H 1 24 LEU QD 2.600 . 3.400 2.391 2.158 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 25 GLY H 1 25 GLY HA3 2.400 . 3.100 2.866 2.861 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 25 GLY H 1 25 GLY HA2 2.300 . 3.000 2.324 2.321 2.329 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 26 GLU H 1 26 GLU HA 2.700 . 3.600 2.910 2.906 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 26 GLU H 1 26 GLU HB3 2.600 . 5.500 3.368 3.297 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 26 GLU H 1 26 GLU HB2 2.400 . 3.100 2.189 2.174 2.260 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 27 ARG H 1 27 ARG HB3 2.900 . 4.000 3.100 2.955 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 27 ARG H 1 27 ARG HB2 2.900 . 4.000 3.378 3.073 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 27 ARG H 1 27 ARG HA 2.500 . 3.300 2.851 2.835 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 27 ARG H 1 27 ARG QD 3.500 . 5.000 4.306 4.153 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 28 LEU H 1 28 LEU HA 2.600 . 3.400 2.728 2.706 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 28 LEU H 1 28 LEU HB3 2.100 . 5.500 3.456 3.421 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 28 LEU H 1 28 LEU HB2 2.500 . 3.300 2.156 2.086 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 28 LEU H 1 28 LEU QD 2.600 . 3.400 2.272 1.786 2.756 0.114 17 0 "[ . 1 . 2 . 3]" 1
68 1 29 PHE H 1 29 PHE HA 2.400 . 3.100 2.635 2.605 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 29 PHE H 1 29 PHE HB3 2.900 . 4.000 3.304 3.225 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 29 PHE H 1 29 PHE HB2 2.400 . 5.500 2.128 2.088 2.166 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 31 LEU H 1 31 LEU HA 2.500 . 3.300 2.855 2.844 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 31 LEU H 1 31 LEU HB3 2.400 . 5.500 3.487 3.348 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 31 LEU H 1 31 LEU HG 2.100 . 2.700 1.455 1.414 1.491 0.086 30 0 "[ . 1 . 2 . 3]" 1
74 1 31 LEU H 1 31 LEU QD 2.700 . 3.600 2.680 2.643 2.711 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 32 ILE H 1 32 ILE MD 2.700 . 3.600 3.457 3.328 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 33 GLN H 1 33 GLN HA 2.500 . 3.300 2.841 2.831 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 33 GLN H 1 33 GLN QG 3.200 . 4.500 3.986 3.905 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 33 GLN H 1 33 GLN HB3 2.300 . 3.000 2.389 2.242 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 34 ALA H 1 34 ALA MB 1.900 . 2.400 2.175 2.055 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 35 MET H 1 35 MET HA 2.600 . 3.400 2.939 2.930 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 35 MET H 1 35 MET HG3 2.900 . 4.000 2.251 2.111 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 35 MET H 1 35 MET HG2 2.900 . 4.000 3.270 2.178 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 35 MET H 1 35 MET HB2 2.400 . 3.100 2.704 2.642 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 35 MET H 1 35 MET HB3 2.600 . 5.500 3.688 3.678 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 36 HIS H 1 36 HIS HA 2.700 . 3.600 2.794 2.777 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 36 HIS H 1 36 HIS HB2 2.900 . 4.000 3.460 3.323 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 36 HIS H 1 36 HIS HB3 2.600 . 3.400 2.151 2.007 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 36 HIS H 1 36 HIS HD2 3.600 . 5.200 4.542 3.287 5.337 0.137 28 0 "[ . 1 . 2 . 3]" 1
89 1 38 THR H 1 38 THR HA 3.000 . 4.100 2.888 2.874 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 38 THR H 1 38 THR HB 2.900 . 4.000 2.626 2.387 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 38 THR H 1 38 THR MG 2.800 . 3.800 3.754 3.610 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 38 THR H 1 39 LEU H 3.100 . 4.300 3.066 2.503 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 39 LEU HA 1 40 ALA H 2.700 . 3.600 2.604 2.478 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 40 ALA H 1 40 ALA HA 2.400 . 3.100 2.720 2.640 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 39 LEU HB3 1 40 ALA H 3.100 . 5.500 4.307 4.119 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 40 ALA H 1 40 ALA MB 2.000 . 2.500 2.208 2.050 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 32 ILE MG 1 40 ALA H 2.800 . 3.800 3.590 3.420 3.867 0.067 21 0 "[ . 1 . 2 . 3]" 1
98 1 39 LEU MD2 1 40 ALA H 3.400 . 4.800 4.673 4.070 5.616 0.816 28 8 "[* * . * 1 . -* ** + 3]" 1
99 1 41 GLY H 1 41 GLY HA3 2.300 . 3.000 2.380 2.291 2.948 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 42 LYS H 1 42 LYS HA 2.800 . 3.800 2.860 2.770 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 42 LYS H 1 42 LYS HB3 2.500 . 3.300 2.664 2.472 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 42 LYS H 1 42 LYS QG 3.400 . 4.800 4.094 4.007 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 43 ILE H 1 43 ILE HA 2.700 . 3.600 2.769 2.749 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 43 ILE H 1 43 ILE HB 2.700 . 3.600 2.795 2.642 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 43 ILE H 1 43 ILE MD 2.700 . 3.600 3.464 3.261 3.614 0.014 11 0 "[ . 1 . 2 . 3]" 1
106 1 44 THR H 1 44 THR HA 2.200 . 2.800 2.749 2.726 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 44 THR H 1 44 THR HB 2.600 . 3.400 2.488 2.170 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 44 THR H 1 44 THR MG 2.700 . 3.600 2.208 2.028 3.625 0.025 29 0 "[ . 1 . 2 . 3]" 1
109 1 45 GLY H 1 45 GLY QA 2.400 . 3.100 2.183 2.176 2.188 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 47 LEU H 1 47 LEU HA 2.500 . 3.300 2.867 2.808 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 47 LEU H 1 47 LEU HB3 2.200 . 5.500 3.588 3.497 3.615 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 47 LEU H 1 47 LEU HB2 2.500 . 3.300 2.398 2.203 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 47 LEU H 1 47 LEU QD 2.400 . 3.100 1.952 1.688 2.486 0.012 19 0 "[ . 1 . 2 . 3]" 1
114 1 46 MET H 1 46 MET HA 2.600 . 3.400 2.771 2.744 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 46 MET H 1 46 MET QG 2.500 . 3.300 1.498 1.337 1.822 0.363 27 0 "[ . 1 . 2 . 3]" 1
116 1 46 MET H 1 46 MET QB 2.400 . 4.000 2.879 2.736 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 48 LEU H 1 48 LEU HA 2.400 . 3.100 2.833 2.806 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 48 LEU H 1 48 LEU HB3 2.200 . 5.500 3.063 2.937 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 48 LEU H 1 48 LEU HB2 2.500 . 3.300 2.145 2.089 2.192 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 48 LEU H 1 48 LEU QD 3.200 . 3.800 3.301 3.184 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 49 GLU H 1 49 GLU HA 2.500 . 3.300 2.877 2.852 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 49 GLU H 1 49 GLU HG3 2.400 . 5.500 2.982 1.970 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 49 GLU H 1 49 GLU HB2 2.300 . 3.000 2.473 2.281 3.520 0.520 21 1 "[ . 1 . 2+ . 3]" 1
124 1 50 ILE H 1 50 ILE HA 2.400 . 3.100 2.885 2.869 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 50 ILE H 1 50 ILE HB 2.300 . 3.000 2.240 2.118 2.325 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 95 VAL H 1 95 VAL QG 2.400 . 3.100 2.062 1.700 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 50 ILE H 1 50 ILE MD 2.600 . 5.500 4.184 4.019 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 51 ASP H 1 51 ASP HA 2.500 . 3.300 2.841 2.826 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 51 ASP H 1 51 ASP HB2 2.300 . 3.000 2.246 2.228 2.272 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 51 ASP H 1 51 ASP HB3 2.400 . 5.500 3.529 3.521 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 51 ASP HA 1 52 ASN H 1.900 . 2.400 2.314 2.172 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 52 ASN H 1 52 ASN HB3 2.700 . 3.600 3.410 2.780 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 52 ASN H 1 52 ASN HB2 2.700 . 3.600 2.236 2.174 2.348 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 52 ASN H 1 52 ASN QD 3.500 . 5.000 4.477 3.849 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 53 SER H 1 53 SER HA 2.400 . 3.100 2.875 2.866 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 53 SER H 1 53 SER QB 2.100 . 2.700 2.196 2.091 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 54 GLU H 1 54 GLU HA 2.300 . 3.000 2.869 2.857 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 54 GLU H 1 54 GLU QG 2.700 . 3.600 2.882 2.566 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 54 GLU H 1 54 GLU QB 2.200 . 2.800 2.222 2.102 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 55 LEU H 1 55 LEU HA 2.800 . 3.800 2.801 2.785 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 55 LEU H 1 55 LEU HB3 2.400 . 3.100 2.231 2.181 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 55 LEU H 1 55 LEU HG 2.300 . 3.000 2.918 2.770 3.007 0.007 30 0 "[ . 1 . 2 . 3]" 1
143 1 55 LEU H 1 55 LEU HB2 3.000 . 4.100 3.515 3.481 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 55 LEU H 1 55 LEU QD 2.900 . 4.000 3.281 3.236 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 56 LEU H 1 56 LEU HA 2.500 . 3.300 2.796 2.767 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 56 LEU H 1 56 LEU QB 2.200 . 2.800 2.236 2.061 2.713 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 55 LEU HG 1 56 LEU H 2.400 . 3.100 1.780 1.714 1.855 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 55 LEU QD 1 56 LEU H 2.800 . 3.800 2.692 2.612 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 57 HIS H 1 57 HIS HA 2.400 . 3.100 2.803 2.770 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 57 HIS H 1 57 HIS HB2 2.200 . 2.800 2.170 2.066 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 57 HIS H 1 57 HIS HB3 2.200 . 5.500 3.203 2.564 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 58 MET H 1 58 MET HA 2.800 . 3.800 2.836 2.784 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 58 MET H 1 58 MET HG2 2.400 . 3.100 2.856 2.196 3.155 0.055 19 0 "[ . 1 . 2 . 3]" 1
154 1 58 MET H 1 58 MET HB2 2.300 . 3.000 2.371 2.283 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 59 LEU H 1 59 LEU HA 2.400 . 3.100 2.828 2.802 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 59 LEU H 1 59 LEU QB 2.200 . 3.300 2.302 2.049 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 59 LEU H 1 59 LEU HG 2.300 . 5.500 4.018 2.069 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 60 GLU H 1 60 GLU HA 2.400 . 3.100 2.928 2.904 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 60 GLU H 1 60 GLU QG 2.300 . 5.500 2.750 2.183 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 60 GLU H 1 60 GLU QB 2.100 . 2.700 2.509 2.164 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 61 SER H 1 61 SER HA 2.500 . 3.300 2.945 2.940 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 61 SER H 1 61 SER QB 2.300 . 3.000 2.501 2.421 2.562 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 63 GLU H 1 63 GLU HA 2.400 . 3.100 2.872 2.867 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 63 GLU H 1 63 GLU HG3 2.600 . 3.400 3.043 2.026 4.356 0.956 7 3 "[ . + 1 - . 2 . *]" 1
165 1 63 GLU H 1 63 GLU QB 2.100 . 2.700 2.368 2.090 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 64 SER H 1 64 SER HA 2.400 . 3.100 2.839 2.825 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 64 SER H 1 64 SER HB2 2.200 . 2.800 2.511 2.282 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 65 LEU H 1 65 LEU HA 2.600 . 3.400 2.791 2.758 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 65 LEU H 1 65 LEU HB3 2.300 . 3.000 2.191 2.064 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 65 LEU H 1 65 LEU HB2 2.300 . 3.000 2.830 2.656 3.046 0.046 6 0 "[ . 1 . 2 . 3]" 1
171 1 65 LEU H 1 65 LEU HG 3.500 . 5.000 4.382 3.953 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 65 LEU H 1 65 LEU QD 3.000 . 4.100 3.571 3.367 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 66 ARG H 1 66 ARG HA 2.400 . 3.100 2.741 2.721 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 66 ARG H 1 66 ARG QD 3.500 . 5.000 4.438 3.638 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 67 SER H 1 67 SER HA 2.300 . 3.000 2.842 2.808 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 67 SER H 1 67 SER HB2 2.100 . 2.700 2.260 2.079 2.722 0.022 6 0 "[ . 1 . 2 . 3]" 1
177 1 68 LYS H 1 68 LYS HA 2.600 . 3.400 2.825 2.816 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 68 LYS H 1 68 LYS QB 2.300 . 3.000 2.162 2.089 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 68 LYS H 1 68 LYS QG 3.500 . 4.300 3.526 2.951 3.978 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 69 VAL H 1 69 VAL HA 2.500 . 3.300 2.810 2.771 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 69 VAL H 1 69 VAL HB 2.100 . 2.700 2.423 2.344 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 69 VAL H 1 69 VAL QG 2.600 . 2.800 2.350 2.146 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 70 ASP H 1 70 ASP HA 2.300 . 3.000 2.805 2.787 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 70 ASP H 1 70 ASP HB2 2.200 . 2.800 2.623 2.357 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 70 ASP H 1 70 ASP HB3 2.400 . 3.100 2.476 2.369 2.746 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 71 GLU H 1 71 GLU HA 2.400 . 3.100 2.852 2.841 2.857 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 71 GLU H 1 71 GLU HG3 3.000 . 5.500 4.391 4.347 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 71 GLU H 1 71 GLU HB3 2.400 . 3.100 2.668 2.599 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 71 GLU H 1 71 GLU HB2 2.400 . 3.100 2.430 2.366 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 72 ALA H 1 72 ALA HA 2.600 . 3.400 2.806 2.784 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 72 ALA H 1 72 ALA MB 2.200 . 2.800 2.088 2.028 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 73 VAL H 1 73 VAL HA 2.500 . 3.300 2.822 2.793 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 73 VAL H 1 73 VAL HB 2.900 . 4.000 3.065 2.271 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 73 VAL H 1 73 VAL QG 2.500 . 2.800 2.130 1.750 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 74 ALA H 1 74 ALA HA 2.400 . 3.100 2.842 2.823 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 74 ALA H 1 74 ALA MB 2.100 . 2.700 2.211 2.047 2.252 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 75 VAL H 1 75 VAL HA 2.800 . 3.800 2.809 2.788 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 75 VAL H 1 75 VAL HB 2.400 . 5.500 3.540 2.343 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 75 VAL H 1 75 VAL QG 2.500 . 3.300 1.796 1.681 2.326 0.219 9 0 "[ . 1 . 2 . 3]" 1
200 1 76 LEU H 1 76 LEU HA 2.700 . 3.600 2.851 2.806 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 76 LEU H 1 76 LEU QB 2.500 . 3.300 2.243 2.153 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 76 LEU H 1 76 LEU QD 3.100 . 4.300 3.058 1.930 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 77 GLN H 1 77 GLN HA 2.500 . 3.300 2.775 2.757 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 77 GLN H 1 77 GLN QG 2.600 . 3.400 2.481 2.104 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 77 GLN H 1 77 GLN QB 2.400 . 3.100 2.301 2.186 2.515 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 78 ALA H 1 78 ALA MB 2.600 . 3.400 2.176 2.084 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 79 HIS H 1 79 HIS HA 2.600 . 3.400 2.823 2.792 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 79 HIS H 1 79 HIS HB3 2.400 . 3.100 2.671 2.362 3.108 0.008 24 0 "[ . 1 . 2 . 3]" 1
209 1 79 HIS H 1 79 HIS HB2 2.400 . 3.100 2.436 2.130 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 79 HIS H 1 79 HIS HD2 4.100 . 5.500 5.096 4.140 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 80 GLN H 1 80 GLN HA 2.500 . 3.300 2.851 2.790 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 80 GLN H 1 80 GLN HG3 2.800 . 3.800 2.991 1.906 4.563 0.763 9 2 "[ . +1 . 2- . 3]" 1
213 1 80 GLN H 1 80 GLN HG2 3.300 . 4.700 3.727 3.002 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 80 GLN H 1 80 GLN HB3 2.900 . 4.000 3.398 2.138 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 80 GLN H 1 80 GLN HB2 2.800 . 3.800 2.373 2.071 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 81 ALA H 1 81 ALA MB 2.200 . 2.800 2.163 2.032 2.269 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 83 GLU H 1 83 GLU HA 2.300 . 3.000 2.881 2.844 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 83 GLU H 1 83 GLU QB 2.200 . 2.800 2.199 2.068 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 83 GLU H 1 83 GLU HG3 2.700 . 5.500 4.309 3.724 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 83 GLU H 1 83 GLU HG2 2.800 . 5.500 4.366 2.923 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 87 LYS H 1 87 LYS HB3 2.800 . 3.800 3.243 2.800 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 87 LYS H 1 87 LYS HB2 2.500 . 3.300 2.351 2.112 3.511 0.211 19 0 "[ . 1 . 2 . 3]" 1
223 1 84 ALA H 1 84 ALA HA 2.500 . 3.300 2.852 2.810 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 84 ALA H 1 84 ALA MB 2.200 . 2.800 2.163 2.031 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 85 ALA H 1 85 ALA HA 2.400 . 3.100 2.851 2.804 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 85 ALA H 1 85 ALA MB 2.100 . 2.700 2.129 2.028 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 86 GLN H 1 86 GLN HG2 2.900 . 4.000 3.215 1.694 4.603 0.603 24 2 "[ . - 1 . 2 +. 3]" 1
228 1 86 GLN H 1 86 GLN HB3 2.800 . 3.800 3.369 2.229 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 86 GLN H 1 86 GLN HB2 2.600 . 3.400 2.583 2.095 3.611 0.211 2 0 "[ . 1 . 2 . 3]" 1
230 1 88 ALA H 1 88 ALA HA 2.900 . 4.000 2.887 2.834 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 87 LYS HA 1 88 ALA H 2.700 . 3.600 2.739 2.140 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 87 LYS HB3 1 88 ALA H 3.400 . 4.800 3.519 1.984 4.502 0.016 10 0 "[ . 1 . 2 . 3]" 1
233 1 87 LYS HB2 1 88 ALA H 3.300 . 4.700 3.960 2.361 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 88 ALA H 1 88 ALA MB 2.400 . 3.100 2.180 2.051 2.300 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 89 VAL H 1 89 VAL HA 2.700 . 3.600 2.916 2.872 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 89 VAL H 1 89 VAL HB 2.600 . 3.400 3.043 2.629 3.499 0.099 13 0 "[ . 1 . 2 . 3]" 1
237 1 89 VAL H 1 89 VAL MG1 2.600 . 3.400 3.160 1.800 3.835 0.435 10 0 "[ . 1 . 2 . 3]" 1
238 1 90 ASN H 1 90 ASN HB3 3.600 . 5.200 3.182 2.560 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 90 ASN H 1 90 ASN HB2 3.300 . 4.700 2.580 2.139 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 91 SER H 1 91 SER HB3 4.300 . 5.500 3.224 2.199 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 91 SER H 1 91 SER HB2 4.400 . 5.500 2.834 2.089 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 92 ALA H 1 92 ALA MB 3.100 . 4.300 2.187 2.032 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 93 THR H 1 93 THR HB 4.200 . 5.500 3.453 2.878 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 93 THR H 1 93 THR MG 4.000 . 5.500 3.030 2.030 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 95 VAL H 1 95 VAL HB 3.100 . 4.300 2.997 2.542 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 96 PRO HA 1 97 THR H 2.900 . 4.000 2.709 2.149 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 82 LYS H 1 82 LYS HA 2.400 . 3.100 2.854 2.777 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 82 LYS H 1 82 LYS QB 2.100 . 2.700 2.340 2.056 2.706 0.006 24 0 "[ . 1 . 2 . 3]" 1
249 1 82 LYS H 1 82 LYS QG 2.800 . 3.800 2.704 1.834 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 18 GLN H 1 18 GLN HG2 3.500 . 5.000 3.675 2.278 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 24 LEU H 1 24 LEU HG 3.500 . 5.000 3.249 1.938 4.144 0.062 11 0 "[ . 1 . 2 . 3]" 1
252 1 24 LEU H 1 24 LEU HB3 2.700 . 3.600 2.364 2.077 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 31 LEU H 1 31 LEU HB2 2.700 . 3.600 3.168 3.055 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 32 ILE H 1 32 ILE HB 2.300 . 3.000 3.035 2.976 3.129 0.129 28 0 "[ . 1 . 2 . 3]" 1
255 1 50 ILE H 1 50 ILE HG13 2.300 . 5.500 4.052 3.818 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 26 GLU H 1 26 GLU QG 2.400 . 5.500 3.872 2.921 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 25 GLY HA2 1 26 GLU H 2.400 . 5.500 3.300 3.276 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 42 LYS H 1 42 LYS QD 3.800 . 5.500 4.125 4.000 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 47 LEU H 1 47 LEU HG 2.400 . 5.500 3.802 2.672 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 68 LYS H 1 68 LYS HD2 3.800 . 5.500 5.153 4.549 5.940 0.440 22 0 "[ . 1 . 2 . 3]" 1
261 1 68 LYS H 1 68 LYS QE 5.200 . 5.500 4.616 4.142 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 76 LEU H 1 76 LEU HG 2.500 . 5.500 4.031 2.003 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 24 LEU QD 1 52 ASN QD 3.700 . 5.200 4.440 4.126 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 20 GLN QB 1 52 ASN QD 3.500 . 4.100 3.281 2.726 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 52 ASN HB2 1 52 ASN QD 2.800 . 3.800 3.169 2.335 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 52 ASN HB3 1 52 ASN QD 2.800 . 3.800 2.385 2.100 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 21 LYS QG 1 52 ASN QD 4.100 . 5.500 5.043 4.581 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 21 LYS HB3 1 52 ASN QD 3.900 . 5.500 5.088 4.764 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 21 LYS HA 1 52 ASN QD 4.100 . 5.500 5.050 4.513 5.301 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 26 GLU HA 1 52 ASN QD 4.200 . 5.500 3.056 2.474 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 20 GLN QB 1 20 GLN QE 3.200 . 4.300 2.659 1.357 3.613 0.543 23 1 "[ . 1 . 2 + . 3]" 1
272 1 20 GLN QE 1 20 GLN HG2 3.000 . 4.100 2.882 2.099 3.349 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 GLN QE 1 20 GLN QG 3.300 . 4.700 2.296 2.064 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 GLN QE 2 17 VAL HA 3.500 . 5.500 5.071 4.687 5.357 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 3 LEU QB 1 4 GLY H 4.000 . 5.500 3.172 1.991 3.896 0.009 3 0 "[ . 1 . 2 . 3]" 1
276 1 3 LEU HA 1 4 GLY H 2.800 . 3.800 2.721 2.141 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 3 LEU H 1 4 GLY H 3.700 . 5.400 3.613 2.337 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 4 GLY H 1 5 SER H 3.700 . 5.400 3.221 2.113 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 3 LEU QB 1 5 SER H 4.800 . 5.500 4.159 2.418 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 4 GLY QA 1 5 SER H 2.500 . 3.300 2.546 2.109 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 7 LEU H 1 8 THR H 3.200 . 4.500 3.603 2.176 4.540 0.040 16 0 "[ . 1 . 2 . 3]" 1
282 1 8 THR H 1 9 ALA H 3.400 . 4.800 2.303 2.261 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 8 THR H 1 33 GLN HB2 4.300 . 5.500 4.472 4.040 4.894 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 8 THR H 1 11 MET HB2 2.400 . 5.500 5.337 5.136 5.468 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 8 THR H 1 11 MET HG2 3.300 . 5.500 5.487 5.395 5.522 0.022 5 0 "[ . 1 . 2 . 3]" 1
286 1 8 THR H 1 11 MET HG3 2.900 . 4.000 4.055 4.011 4.080 0.080 17 0 "[ . 1 . 2 . 3]" 1
287 1 9 ALA H 1 11 MET H 4.100 . 5.500 3.876 3.779 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 9 ALA H 1 12 LEU H 4.400 . 5.500 4.665 4.600 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 9 ALA H 1 10 SER H 3.100 . 4.300 2.573 2.549 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 8 THR HA 1 9 ALA H 2.100 . 5.500 3.493 3.461 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 9 ALA H 1 12 LEU QD 2.900 . 5.500 4.145 3.939 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 8 THR MG 1 9 ALA H 2.800 . 3.800 2.039 1.863 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 9 ALA HA 1 10 SER H 3.500 . 5.000 3.505 3.487 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 8 THR MG 1 10 SER H 4.600 . 5.500 4.256 4.124 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 9 ALA MB 1 10 SER H 2.900 . 4.000 2.653 2.559 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 11 MET H 1 12 LEU H 2.300 . 3.000 2.575 2.540 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 8 THR H 1 11 MET H 3.200 . 4.500 4.539 4.516 4.563 0.063 30 0 "[ . 1 . 2 . 3]" 1
298 1 10 SER H 1 11 MET H 2.900 . 4.000 2.466 2.420 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 10 SER HA 1 11 MET H 2.600 . 5.500 3.518 3.502 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 9 ALA MB 1 11 MET H 3.300 . 4.700 4.428 4.344 4.498 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 8 THR MG 1 11 MET H 3.400 . 4.800 4.695 4.569 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 10 SER H 1 12 LEU H 4.200 . 5.500 3.941 3.862 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 11 MET HB2 1 12 LEU H 2.800 . 3.800 2.692 2.621 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 11 MET HB3 1 12 LEU H 2.900 . 4.000 3.841 3.772 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 11 MET HG2 1 12 LEU H 3.400 . 4.800 4.569 4.514 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 9 ALA HA 1 12 LEU H 2.800 . 3.800 3.342 3.237 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 11 MET HA 1 12 LEU H 2.900 . 4.000 3.510 3.497 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 10 SER QB 1 12 LEU H 3.400 . 4.800 4.687 4.608 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 13 ALA H 1 14 SER H 2.400 . 3.100 2.561 2.522 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 10 SER H 1 13 ALA H 4.700 . 5.500 5.103 5.067 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 12 LEU QD 1 13 ALA H 3.800 . 5.500 3.942 3.841 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 12 LEU QB 1 13 ALA H 2.200 . 2.800 2.431 2.245 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 11 MET HB2 1 13 ALA H 4.000 . 5.500 5.232 5.102 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 10 SER HA 1 13 ALA H 3.600 . 5.200 3.500 3.423 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 10 SER QB 1 13 ALA H 2.600 . 5.500 5.134 5.039 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 12 LEU HA 1 13 ALA H 3.600 . 5.200 3.547 3.536 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 10 SER QB 1 14 SER H 3.500 . 5.500 5.317 5.017 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 11 MET HA 1 14 SER H 3.200 . 4.500 3.088 3.041 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 13 ALA HA 1 14 SER H 2.700 . 3.600 3.490 3.456 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 12 LEU QD 1 14 SER H 4.000 . 5.500 5.077 4.892 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 13 ALA MB 1 14 SER H 2.500 . 3.300 2.868 2.761 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 12 LEU QB 1 14 SER H 3.300 . 4.700 4.361 4.205 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 11 MET HB2 1 14 SER H 4.300 . 5.500 5.135 5.020 5.293 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 11 MET HG2 1 14 SER H 4.300 . 5.500 5.516 5.479 5.552 0.052 23 0 "[ . 1 . 2 . 3]" 1
325 1 14 SER H 1 15 ALA H 2.700 . 3.600 2.685 2.508 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 13 ALA H 1 15 ALA H 3.200 . 4.500 4.206 4.032 4.555 0.055 13 0 "[ . 1 . 2 . 3]" 1
327 1 14 SER HA 1 15 ALA H 2.700 . 3.600 3.030 2.756 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 13 ALA HA 1 15 ALA H 2.800 . 3.800 3.794 3.697 3.875 0.075 10 0 "[ . 1 . 2 . 3]" 1
329 1 14 SER QB 1 15 ALA H 2.900 . 4.000 3.786 3.620 4.007 0.007 29 0 "[ . 1 . 2 . 3]" 1
330 1 12 LEU QD 1 15 ALA H 3.600 . 5.500 5.127 4.891 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 13 ALA MB 1 15 ALA H 3.100 . 5.500 4.389 4.339 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 12 LEU QB 1 15 ALA H 3.900 . 5.500 4.916 4.755 5.288 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 15 ALA H 1 23 MET ME 3.500 . 5.000 3.957 3.704 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 15 ALA H 1 19 GLU QG 4.200 . 5.500 5.316 5.255 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 15 ALA H 1 23 MET HG2 3.400 . 4.800 4.817 4.623 4.880 0.080 5 0 "[ . 1 . 2 . 3]" 1
336 1 18 GLN H 1 19 GLU H 2.500 . 5.500 3.172 2.496 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 19 GLU H 1 22 GLN H 4.000 . 5.500 5.459 5.306 5.547 0.047 11 0 "[ . 1 . 2 . 3]" 1
338 1 19 GLU H 1 20 GLN H 2.300 . 3.000 2.503 2.278 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 15 ALA HA 1 19 GLU H 4.700 . 5.500 5.372 4.911 5.546 0.046 5 0 "[ . 1 . 2 . 3]" 1
340 1 18 GLN HA 1 19 GLU H 2.800 . 3.800 2.895 2.339 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 15 ALA MB 1 19 GLU H 3.300 . 4.700 3.889 3.419 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 18 GLN QB 1 19 GLU H 2.500 . 5.500 3.597 3.049 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 18 GLN HG3 1 19 GLU H 3.000 . 5.500 4.959 2.669 5.951 0.451 16 0 "[ . 1 . 2 . 3]" 1
344 1 18 GLN H 1 20 GLN H 3.800 . 5.500 4.878 4.233 5.409 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 20 GLN H 1 21 LYS H 2.700 . 3.600 3.068 2.757 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 20 GLN H 1 24 LEU QD 5.000 . 5.500 4.073 3.981 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 15 ALA MB 1 20 GLN H 2.900 . 5.500 4.817 4.430 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 19 GLU HB2 1 20 GLN H 2.700 . 5.500 4.084 3.716 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 18 GLN QB 1 20 GLN H 3.500 . 5.000 4.167 3.714 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 19 GLU HB3 1 20 GLN H 2.800 . 5.500 3.921 3.687 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 18 GLN HA 1 20 GLN H 3.800 . 5.500 3.156 2.924 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 19 GLU HA 1 20 GLN H 3.000 . 4.100 3.143 3.055 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 21 LYS H 1 52 ASN QD 4.700 . 5.500 4.840 4.109 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 21 LYS H 1 22 GLN H 2.600 . 3.400 2.784 2.742 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 20 GLN QE 1 21 LYS H 2.600 . 3.400 2.005 1.614 2.426 0.186 25 0 "[ . 1 . 2 . 3]" 1
356 1 21 LYS H 1 23 MET H 3.700 . 5.400 5.368 5.154 5.440 0.040 9 0 "[ . 1 . 2 . 3]" 1
357 1 21 LYS H 1 24 LEU QD 3.600 . 5.200 4.117 4.011 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 20 GLN QB 1 21 LYS H 2.400 . 4.000 2.748 2.342 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 20 GLN HG3 1 21 LYS H 3.100 . 4.300 2.593 1.736 3.815 0.164 22 0 "[ . 1 . 2 . 3]" 1
360 1 20 GLN HA 1 21 LYS H 2.900 . 4.000 3.563 3.543 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 18 GLN HA 1 21 LYS H 3.100 . 5.500 5.345 4.894 5.560 0.060 13 0 "[ . 1 . 2 . 3]" 1
362 1 19 GLU HA 1 21 LYS H 3.500 . 5.000 4.296 3.997 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 20 GLN QE 1 22 GLN H 3.900 . 5.500 4.453 4.175 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 22 GLN H 1 23 MET H 2.500 . 3.300 3.014 2.965 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 22 GLN H 1 25 GLY H 4.200 . 5.500 4.350 4.246 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 20 GLN H 1 22 GLN H 3.300 . 4.700 3.998 3.840 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 21 LYS QE 1 22 GLN H 4.500 . 5.500 3.098 1.986 4.322 0.014 27 0 "[ . 1 . 2 . 3]" 1
368 1 21 LYS HA 1 22 GLN H 2.900 . 4.000 3.445 3.416 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 GLU HA 1 22 GLN H 2.700 . 3.600 3.394 3.244 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 21 LYS HD2 1 22 GLN H 3.500 . 5.000 3.387 1.645 4.711 0.355 18 0 "[ . 1 . 2 . 3]" 1
371 1 21 LYS HB3 1 22 GLN H 2.600 . 5.500 4.324 3.090 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 21 LYS HG2 1 22 GLN H 3.500 . 5.000 4.473 4.119 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 21 LYS HB2 1 22 GLN H 2.500 . 5.500 3.680 3.507 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 GLN H 1 23 MET H 4.600 . 5.500 5.403 5.145 5.548 0.048 12 0 "[ . 1 . 2 . 3]" 1
375 1 23 MET H 1 25 GLY H 4.000 . 5.500 3.771 3.704 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 22 GLN HA 1 23 MET H 2.900 . 4.000 3.534 3.520 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 19 GLU HA 1 23 MET H 3.400 . 5.500 4.682 4.204 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 12 LEU QD 1 23 MET H 3.700 . 5.400 4.840 4.511 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 22 GLN HB3 1 23 MET H 2.600 . 3.400 1.962 1.835 2.083 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 22 GLN QG 1 23 MET H 2.700 . 3.600 2.661 2.499 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 23 MET H 1 24 LEU H 2.800 . 3.800 3.420 3.365 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 12 LEU QD 1 24 LEU H 2.900 . 4.000 2.640 2.336 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 23 MET ME 1 24 LEU H 2.700 . 3.600 3.315 3.008 3.606 0.006 23 0 "[ . 1 . 2 . 3]" 1
384 1 11 MET ME 1 24 LEU H 3.400 . 4.800 4.082 3.981 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 23 MET HB2 1 24 LEU H 2.600 . 5.500 1.727 1.653 1.840 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 22 GLN HB3 1 24 LEU H 4.000 . 5.500 5.303 5.178 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 23 MET HG2 1 24 LEU H 3.600 . 5.200 3.460 3.324 3.654 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 23 MET HG3 1 24 LEU H 3.500 . 5.000 3.397 2.718 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 20 GLN HA 1 24 LEU H 3.300 . 4.700 4.179 3.875 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 25 GLY H 2 13 PHE QE 3.800 . 5.500 3.454 3.097 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 25 GLY H 1 29 PHE QD 3.900 . 5.500 5.130 4.710 5.506 0.006 28 0 "[ . 1 . 2 . 3]" 1
392 1 24 LEU H 1 25 GLY H 2.600 . 3.400 2.945 2.909 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 25 GLY H 1 26 GLU H 2.700 . 5.500 4.400 4.383 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 24 LEU HA 1 25 GLY H 3.100 . 4.300 3.309 3.281 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 21 LYS HA 1 25 GLY H 3.100 . 4.300 3.917 3.757 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 25 GLY H 1 48 LEU QD 2.900 . 5.500 3.874 3.676 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 24 LEU QD 1 25 GLY H 3.000 . 4.100 2.199 1.992 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 12 LEU QD 1 25 GLY H 3.800 . 5.500 4.858 4.594 5.140 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 24 LEU HB3 1 25 GLY H 2.900 . 5.500 4.315 4.117 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 24 LEU HG 1 25 GLY H 3.000 . 4.100 4.035 3.901 4.123 0.023 21 0 "[ . 1 . 2 . 3]" 1
401 1 24 LEU HB2 1 25 GLY H 2.600 . 5.500 4.370 4.136 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 23 MET HB3 1 25 GLY H 4.000 . 5.500 4.570 4.172 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 23 MET HB2 1 25 GLY H 3.800 . 5.500 4.255 4.172 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 26 GLU H 2 13 PHE QE 3.300 . 5.000 5.062 4.947 5.146 0.146 19 0 "[ . 1 . 2 . 3]" 1
405 1 24 LEU HA 1 26 GLU H 4.000 . 5.500 5.474 5.431 5.519 0.019 8 0 "[ . 1 . 2 . 3]" 1
406 1 26 GLU H 1 48 LEU QD 4.200 . 5.500 2.228 1.836 2.629 0.164 23 0 "[ . 1 . 2 . 3]" 1
407 1 27 ARG H 1 28 LEU H 2.200 . 5.500 1.390 1.320 1.446 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 26 GLU H 1 27 ARG H 2.500 . 3.300 2.524 2.426 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 27 ARG H 1 29 PHE H 3.400 . 4.800 4.609 4.449 4.810 0.010 20 0 "[ . 1 . 2 . 3]" 1
410 1 26 GLU QG 1 27 ARG H 3.300 . 4.700 4.046 3.979 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 25 GLY HA3 1 27 ARG H 3.400 . 4.800 4.220 4.095 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 24 LEU HA 1 27 ARG H 2.900 . 5.500 5.533 5.509 5.571 0.071 24 0 "[ . 1 . 2 . 3]" 1
413 1 26 GLU HA 1 27 ARG H 3.100 . 4.300 3.514 3.508 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 27 ARG H 1 31 LEU QD 4.600 . 5.500 3.935 3.792 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 26 GLU HB2 1 27 ARG H 2.700 . 3.600 2.500 2.206 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 26 GLU HB3 1 27 ARG H 2.900 . 4.000 2.411 2.254 2.823 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 25 GLY H 1 28 LEU H 4.500 . 5.500 5.558 5.504 5.606 0.106 23 0 "[ . 1 . 2 . 3]" 1
418 1 28 LEU H 1 29 PHE H 2.500 . 5.500 3.287 3.161 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 25 GLY HA2 1 28 LEU H 3.900 . 5.500 5.503 5.425 5.539 0.039 7 0 "[ . 1 . 2 . 3]" 1
420 1 25 GLY HA3 1 28 LEU H 3.100 . 4.300 3.980 3.866 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 27 ARG QD 1 28 LEU H 3.700 . 5.400 4.454 4.185 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 24 LEU HA 1 28 LEU H 3.500 . 5.000 4.795 4.659 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 26 GLU HA 1 28 LEU H 3.300 . 4.700 4.655 4.625 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 27 ARG HA 1 28 LEU H 3.000 . 4.100 3.112 3.066 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 24 LEU QD 1 28 LEU H 3.500 . 5.000 4.122 3.938 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 28 LEU H 1 31 LEU QD 3.600 . 5.200 3.493 3.285 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 27 ARG HB2 1 28 LEU H 2.500 . 5.500 4.292 4.029 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 27 ARG HB3 1 28 LEU H 2.700 . 5.500 3.690 3.583 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 26 GLU HB2 1 28 LEU H 3.800 . 5.500 3.359 3.125 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 26 GLU HB3 1 28 LEU H 4.300 . 5.500 3.695 3.502 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 29 PHE H 1 31 LEU H 3.300 . 4.700 4.746 4.686 4.789 0.089 5 0 "[ . 1 . 2 . 3]" 1
432 1 29 PHE H 1 29 PHE QD 3.500 . 5.000 3.785 3.649 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 29 PHE H 1 32 ILE H 4.100 . 5.500 4.972 4.872 5.096 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 25 GLY H 1 29 PHE H 4.600 . 5.500 5.293 5.116 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 25 GLY HA3 1 29 PHE H 3.500 . 5.000 4.361 4.025 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 29 PHE H 1 44 THR HB 4.200 . 5.500 2.836 2.542 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 28 LEU HA 1 29 PHE H 2.900 . 4.000 3.536 3.501 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 27 ARG HA 1 29 PHE H 3.200 . 5.500 5.034 4.839 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 28 LEU QD 1 29 PHE H 3.500 . 4.300 3.651 3.542 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 29 PHE H 1 44 THR MG 2.800 . 3.800 3.575 2.358 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 28 LEU HB2 1 29 PHE H 2.900 . 4.000 2.327 2.129 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 28 LEU HB3 1 29 PHE H 2.500 . 3.300 2.314 2.068 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 31 LEU H 1 32 ILE H 2.300 . 3.000 2.614 2.567 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 31 LEU H 1 33 GLN H 2.900 . 4.000 3.557 3.499 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 28 LEU HA 1 31 LEU H 3.200 . 4.500 3.888 3.723 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 29 PHE HA 1 31 LEU H 3.000 . 5.500 4.617 4.529 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 8 THR MG 1 31 LEU H 3.700 . 5.400 4.880 4.531 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 81 ALA H 1 82 LYS H 2.400 . 3.100 2.779 2.533 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 82 LYS H 1 83 GLU H 2.400 . 3.100 2.521 2.380 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 81 ALA HA 1 82 LYS H 2.900 . 4.000 3.566 3.526 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 79 HIS HA 1 82 LYS H 3.000 . 5.500 4.213 3.506 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 81 ALA MB 1 82 LYS H 2.400 . 3.100 2.184 1.794 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 33 GLN H 1 34 ALA H 2.500 . 3.300 2.488 2.393 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 29 PHE QD 1 33 GLN H 4.200 . 5.500 4.098 3.783 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 32 ILE H 1 33 GLN H 2.500 . 3.300 2.458 2.394 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 33 GLN H 1 36 HIS H 4.000 . 5.500 4.939 4.629 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 32 ILE HA 1 33 GLN H 3.100 . 4.300 3.377 3.364 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 31 LEU HA 1 33 GLN H 3.500 . 5.000 3.791 3.703 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 29 PHE HA 1 33 GLN H 2.600 . 5.500 4.113 4.016 4.249 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 33 GLN H 1 40 ALA MB 2.600 . 5.500 3.506 3.351 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 8 THR MG 1 33 GLN H 2.300 . 5.500 4.267 4.092 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 31 LEU HB2 1 33 GLN H 4.400 . 5.500 4.589 4.500 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 32 ILE HB 1 33 GLN H 2.500 . 5.500 3.411 3.235 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 31 LEU HG 1 33 GLN H 3.400 . 4.800 4.824 4.694 4.871 0.071 26 0 "[ . 1 . 2 . 3]" 1
465 1 34 ALA H 1 35 MET H 2.300 . 3.000 2.384 2.274 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 34 ALA H 1 36 HIS H 3.000 . 4.100 3.967 3.690 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 33 GLN HA 1 34 ALA H 2.800 . 3.800 3.499 3.461 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 32 ILE HA 1 34 ALA H 3.300 . 4.700 3.861 3.693 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 34 ALA H 1 40 ALA MB 3.300 . 4.700 4.717 4.652 4.768 0.068 28 0 "[ . 1 . 2 . 3]" 1
470 1 8 THR MG 1 34 ALA H 2.800 . 5.500 5.546 5.366 5.596 0.096 26 0 "[ . 1 . 2 . 3]" 1
471 1 32 ILE HB 1 34 ALA H 4.000 . 5.500 5.227 5.017 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 33 GLN HB3 1 34 ALA H 2.500 . 3.300 2.699 2.594 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 33 GLN QG 1 34 ALA H 2.900 . 4.000 3.603 3.282 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 35 MET H 1 36 HIS H 2.200 . 2.800 2.640 2.187 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 33 GLN H 1 35 MET H 3.700 . 5.400 3.608 3.565 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 33 GLN HA 1 35 MET H 3.400 . 4.800 3.983 3.801 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 32 ILE HA 1 35 MET H 3.000 . 4.100 2.691 2.609 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 34 ALA HA 1 35 MET H 2.900 . 4.000 3.467 3.420 3.485 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 32 ILE MG 1 35 MET H 3.400 . 4.800 3.818 3.762 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 35 MET H 1 40 ALA MB 3.700 . 5.400 4.129 4.015 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 34 ALA MB 1 35 MET H 2.500 . 3.300 2.790 2.691 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 35 MET H 1 35 MET ME 3.500 . 5.000 3.872 3.676 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 33 GLN HA 1 36 HIS H 3.100 . 4.300 3.503 3.146 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 32 ILE HA 1 36 HIS H 3.500 . 5.000 4.682 4.361 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 34 ALA HA 1 36 HIS H 4.300 . 5.500 3.635 3.551 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 35 MET HA 1 36 HIS H 3.200 . 4.500 2.994 2.941 3.268 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 32 ILE MG 1 36 HIS H 3.400 . 4.800 4.534 4.441 4.805 0.005 28 0 "[ . 1 . 2 . 3]" 1
488 1 36 HIS H 1 40 ALA MB 3.400 . 4.800 3.693 3.469 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 34 ALA MB 1 36 HIS H 3.500 . 5.000 4.282 4.207 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 35 MET HB3 1 36 HIS H 2.900 . 5.500 4.524 4.397 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 35 MET HB2 1 36 HIS H 2.600 . 5.500 3.963 3.486 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 35 MET HG3 1 36 HIS H 3.500 . 5.000 4.617 4.465 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 36 HIS HA 1 38 THR H 4.100 . 5.500 3.468 1.861 3.679 0.139 29 0 "[ . 1 . 2 . 3]" 1
494 1 35 MET HB2 1 38 THR H 2.900 . 5.500 5.150 5.015 5.278 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 39 LEU H 1 40 ALA H 2.300 . 3.000 2.541 1.771 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 38 THR H 1 40 ALA H 3.300 . 4.700 4.175 3.077 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 40 ALA H 1 41 GLY H 3.200 . 4.500 3.136 2.750 4.623 0.123 13 0 "[ . 1 . 2 . 3]" 1
498 1 36 HIS HB2 1 40 ALA H 3.400 . 4.800 3.419 3.141 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 33 GLN HA 1 40 ALA H 3.200 . 5.500 5.086 4.921 5.326 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 38 THR HB 1 40 ALA H 3.100 . 5.500 3.994 3.472 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 40 ALA H 1 43 ILE MD 3.500 . 5.000 3.310 2.701 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 38 THR MG 1 40 ALA H 3.800 . 5.500 4.881 3.995 5.520 0.020 21 0 "[ . 1 . 2 . 3]" 1
503 1 35 MET HB2 1 40 ALA H 3.400 . 5.500 5.542 5.494 5.583 0.083 28 0 "[ . 1 . 2 . 3]" 1
504 1 36 HIS HB3 1 40 ALA H 3.500 . 5.000 4.537 4.320 4.867 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 29 PHE QD 1 41 GLY H 3.800 . 5.000 4.958 3.771 5.092 0.092 1 0 "[ . 1 . 2 . 3]" 1
506 1 29 PHE QE 1 41 GLY H 2.900 . 4.000 3.491 3.204 4.078 0.078 26 0 "[ . 1 . 2 . 3]" 1
507 1 41 GLY H 1 42 LYS H 2.800 . 5.500 3.182 2.727 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 40 ALA HA 1 41 GLY H 3.500 . 5.000 3.373 2.134 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 40 ALA MB 1 41 GLY H 2.800 . 3.800 2.665 1.969 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 29 PHE QE 1 42 LYS H 4.700 . 5.500 5.534 5.347 5.586 0.086 30 0 "[ . 1 . 2 . 3]" 1
511 1 29 PHE HZ 1 42 LYS H 4.500 . 5.500 5.469 5.281 5.535 0.035 22 0 "[ . 1 . 2 . 3]" 1
512 1 42 LYS H 1 45 GLY H 5.000 . 5.500 5.097 4.820 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 42 LYS H 1 43 ILE H 2.800 . 5.500 2.526 2.381 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 41 GLY QA 1 42 LYS H 2.600 . 3.400 2.536 2.145 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 40 ALA HA 1 42 LYS H 4.500 . 5.500 4.717 4.175 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 39 LEU MD2 1 42 LYS H 4.600 . 5.500 3.661 2.026 6.239 0.739 23 1 "[ . 1 . 2 + . 3]" 1
517 1 42 LYS H 1 76 LEU QD 4.000 . 5.500 3.557 2.851 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 40 ALA MB 1 42 LYS H 4.500 . 5.500 4.973 4.721 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 41 GLY H 1 43 ILE H 4.400 . 5.500 4.121 2.574 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 43 ILE H 1 44 THR H 2.600 . 3.400 2.954 2.835 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 43 ILE H 1 45 GLY H 4.200 . 5.500 4.231 4.057 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 40 ALA HA 1 43 ILE H 3.000 . 4.100 3.663 3.432 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 42 LYS HA 1 43 ILE H 3.200 . 4.500 3.510 3.443 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 41 GLY QA 1 43 ILE H 3.200 . 4.500 4.112 3.569 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 32 ILE MD 1 43 ILE H 3.200 . 4.500 4.088 3.873 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 40 ALA MB 1 43 ILE H 3.700 . 5.400 4.780 4.597 5.296 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 42 LYS QG 1 43 ILE H 3.000 . 5.500 4.094 3.770 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 42 LYS QD 1 43 ILE H 3.200 . 4.500 4.331 4.186 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 42 LYS HB3 1 43 ILE H 2.300 . 5.500 2.832 2.660 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 29 PHE QD 1 44 THR H 3.400 . 5.500 5.200 5.032 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 44 THR H 1 45 GLY H 2.700 . 3.600 2.835 2.728 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 44 THR H 1 46 MET H 3.800 . 5.500 4.869 4.384 5.144 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 43 ILE HA 1 44 THR H 3.000 . 4.100 3.577 3.545 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 40 ALA HA 1 44 THR H 3.100 . 5.500 3.832 3.558 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 42 LYS HA 1 44 THR H 4.200 . 5.500 4.639 4.196 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 29 PHE HA 1 44 THR H 3.800 . 5.500 4.419 4.159 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 41 GLY HA2 1 44 THR H 2.300 . 5.500 4.511 4.165 4.677 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 43 ILE MD 1 44 THR H 3.400 . 4.800 4.288 3.990 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 28 LEU QD 1 44 THR H 3.700 . 5.400 3.756 3.478 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 32 ILE MD 1 44 THR H 2.900 . 4.000 2.443 2.274 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 40 ALA MB 1 44 THR H 3.500 . 5.000 4.330 4.125 5.010 0.010 26 0 "[ . 1 . 2 . 3]" 1
542 1 28 LEU HB2 1 44 THR H 4.200 . 5.500 5.573 5.524 5.648 0.148 24 0 "[ . 1 . 2 . 3]" 1
543 1 43 ILE HB 1 44 THR H 2.400 . 3.100 2.279 2.078 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 42 LYS QB 1 44 THR H 3.600 . 5.200 5.156 5.005 5.250 0.050 26 0 "[ . 1 . 2 . 3]" 1
545 1 45 GLY H 2 13 PHE QD 4.000 . 5.500 4.153 3.485 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 29 PHE QD 1 45 GLY H 4.700 . 5.500 5.550 5.391 5.595 0.095 14 0 "[ . 1 . 2 . 3]" 1
547 1 45 GLY H 2 13 PHE H 3.000 . 5.500 4.604 4.166 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 45 GLY H 1 47 LEU H 3.800 . 5.500 4.582 4.351 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 45 GLY H 1 46 MET QG 3.800 . 5.500 3.873 3.730 4.124 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 44 THR HB 1 45 GLY H 3.300 . 4.700 3.785 2.580 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 42 LYS HA 1 45 GLY H 3.100 . 4.300 3.454 3.272 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 44 THR HA 1 45 GLY H 3.100 . 4.300 3.538 3.509 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 28 LEU QD 1 45 GLY H 4.400 . 5.500 4.501 4.188 4.853 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 44 THR MG 1 45 GLY H 2.900 . 4.000 1.892 1.786 2.756 0.014 23 0 "[ . 1 . 2 . 3]" 1
555 1 42 LYS QD 1 45 GLY H 4.000 . 5.500 3.745 3.271 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 42 LYS QB 1 45 GLY H 3.900 . 5.500 5.059 4.898 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 45 GLY H 1 46 MET H 2.600 . 3.400 3.150 2.909 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 56 LEU H 1 58 MET H 3.400 . 4.800 4.051 3.852 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 45 GLY QA 1 46 MET H 2.700 . 3.600 2.491 2.397 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 54 GLU HA 1 58 MET H 3.300 . 4.700 4.380 4.123 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 55 LEU HA 1 58 MET H 3.000 . 4.100 3.478 3.270 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 42 LYS HA 1 46 MET H 3.300 . 5.500 4.411 4.165 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 57 HIS HB2 1 58 MET H 2.700 . 5.500 3.433 2.884 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 57 HIS HB3 1 58 MET H 3.000 . 4.100 3.209 2.642 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 28 LEU QD 1 46 MET H 4.000 . 5.500 5.039 4.378 5.360 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 55 LEU HB2 1 58 MET H 4.700 . 5.500 5.325 5.103 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 56 LEU QB 1 58 MET H 3.500 . 5.000 4.579 4.303 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 42 LYS QD 1 46 MET H 3.500 . 4.500 3.409 3.066 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 47 LEU H 1 49 GLU H 4.200 . 5.500 4.621 4.345 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 46 MET QG 1 47 LEU H 3.100 . 4.300 2.675 1.969 3.339 0.031 22 0 "[ . 1 . 2 . 3]" 1
571 1 45 GLY QA 1 47 LEU H 4.100 . 5.500 4.361 4.134 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 47 LEU H 1 72 ALA MB 3.500 . 5.500 4.893 4.324 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 46 MET QB 1 47 LEU H 2.600 . 3.400 2.690 1.789 3.080 0.011 9 0 "[ . 1 . 2 . 3]" 1
574 1 48 LEU H 1 49 GLU H 2.600 . 3.400 2.581 2.467 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 46 MET H 1 48 LEU H 3.000 . 4.100 3.974 3.660 4.108 0.008 13 0 "[ . 1 . 2 . 3]" 1
576 1 47 LEU H 1 48 LEU H 2.400 . 3.100 2.730 2.557 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 45 GLY QA 1 48 LEU H 3.100 . 4.300 3.672 3.461 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 47 LEU HB2 1 48 LEU H 2.900 . 4.000 3.748 3.599 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 47 LEU HB3 1 48 LEU H 2.700 . 5.500 4.305 4.161 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 49 GLU H 1 50 ILE H 2.400 . 5.500 2.809 2.676 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 47 LEU HA 1 49 GLU H 2.900 . 4.000 3.140 2.807 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 48 LEU HA 1 49 GLU H 2.800 . 3.800 3.369 3.238 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 48 LEU QD 1 49 GLU H 4.000 . 5.400 4.032 3.923 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 28 LEU QD 1 49 GLU H 3.400 . 4.800 4.307 3.979 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 49 GLU H 2 11 LYS QG 3.600 . 5.200 5.218 4.588 5.272 0.072 8 0 "[ . 1 . 2 . 3]" 1
586 1 48 LEU HB2 1 49 GLU H 3.100 . 4.300 3.806 3.477 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 47 LEU HB3 1 49 GLU H 3.800 . 5.500 4.743 4.382 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 48 LEU HB3 1 49 GLU H 3.100 . 4.300 3.404 3.041 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 50 ILE H 1 51 ASP H 3.100 . 5.500 4.593 4.549 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 48 LEU H 1 50 ILE H 3.200 . 4.500 4.433 4.286 4.549 0.049 29 0 "[ . 1 . 2 . 3]" 1
591 1 47 LEU HA 1 50 ILE H 3.200 . 4.500 4.501 4.396 4.557 0.057 24 0 "[ . 1 . 2 . 3]" 1
592 1 49 GLU HA 1 50 ILE H 2.800 . 3.800 3.048 2.939 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 48 LEU QD 1 50 ILE H 4.700 . 5.500 3.674 3.541 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 28 LEU QD 1 50 ILE H 3.800 . 4.700 3.474 3.298 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 31 LEU QD 1 32 ILE H 3.200 . 4.500 3.083 2.505 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 47 LEU HB3 1 50 ILE H 3.500 . 5.000 4.776 4.558 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 48 LEU HB3 1 50 ILE H 2.700 . 5.500 4.627 4.389 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 49 GLU HB2 1 50 ILE H 3.500 . 5.000 3.924 3.819 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 49 GLU HB3 1 50 ILE H 3.200 . 4.500 4.410 4.305 4.657 0.157 21 0 "[ . 1 . 2 . 3]" 1
600 1 26 GLU QG 1 50 ILE H 3.400 . 4.800 4.191 3.601 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 51 ASP H 1 52 ASN H 3.500 . 5.000 4.620 4.523 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 50 ILE HA 1 51 ASP H 2.100 . 2.700 2.413 2.335 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 50 ILE MD 1 51 ASP H 3.000 . 4.100 3.908 3.490 4.114 0.014 26 0 "[ . 1 . 2 . 3]" 1
604 1 50 ILE MG 1 51 ASP H 2.400 . 3.100 2.545 2.311 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 50 ILE HG13 1 51 ASP H 3.200 . 4.500 3.173 2.788 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 50 ILE HG12 1 51 ASP H 2.800 . 3.800 2.270 1.787 2.584 0.013 29 0 "[ . 1 . 2 . 3]" 1
607 1 51 ASP H 1 54 GLU QB . . 3.600 3.251 2.920 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 51 ASP H 1 54 GLU QG 3.700 . 5.400 3.098 2.011 3.998 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 52 ASN H 1 54 GLU H 3.900 . 5.500 3.716 3.587 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 51 ASP HB2 1 52 ASN H 3.000 . 5.500 3.951 3.847 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 51 ASP HB3 1 52 ASN H 3.000 . 4.100 2.657 2.499 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 52 ASN H 1 55 LEU QD 3.400 . 4.800 4.214 4.131 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 50 ILE MG 1 52 ASN H 4.700 . 5.500 4.589 4.177 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 52 ASN H 1 55 LEU HB3 4.200 . 5.500 4.893 4.794 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 53 SER H 1 54 GLU H 2.300 . 3.000 2.364 2.316 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 51 ASP H 1 53 SER H 4.200 . 5.500 5.497 5.239 5.547 0.047 11 0 "[ . 1 . 2 . 3]" 1
617 1 53 SER H 1 55 LEU H 3.300 . 4.700 3.764 3.641 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 52 ASN HB2 1 53 SER H 2.800 . 3.800 3.164 3.022 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 51 ASP HB3 1 53 SER H 2.700 . 3.600 2.431 2.204 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 51 ASP HB2 1 53 SER H 3.100 . 4.300 3.952 3.612 4.303 0.003 29 0 "[ . 1 . 2 . 3]" 1
621 1 52 ASN HB3 1 53 SER H 2.600 . 5.500 3.496 2.884 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 50 ILE MG 1 53 SER H 4.000 . 5.500 5.393 5.138 5.518 0.018 7 0 "[ . 1 . 2 . 3]" 1
623 1 51 ASP H 1 54 GLU H 3.600 . 5.200 4.508 4.329 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 54 GLU H 1 55 LEU H 2.300 . 3.000 2.416 2.360 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 54 GLU H 1 56 LEU H 3.200 . 4.500 4.343 4.263 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 51 ASP HB3 1 54 GLU H 2.700 . 5.500 2.294 1.995 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 51 ASP HB2 1 54 GLU H 2.900 . 4.000 2.740 2.541 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 52 ASN HB2 1 54 GLU H 5.100 . 5.500 5.166 5.033 5.555 0.055 29 0 "[ . 1 . 2 . 3]" 1
629 1 52 ASN HB3 1 54 GLU H 4.000 . 5.500 5.286 4.962 5.513 0.013 26 0 "[ . 1 . 2 . 3]" 1
630 1 53 SER QB 1 54 GLU H 2.500 . 3.300 2.847 2.690 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 53 SER HA 1 54 GLU H 2.700 . 3.600 3.481 3.462 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 50 ILE MG 1 54 GLU H 3.000 . 5.500 4.477 4.238 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 53 SER QB 1 55 LEU H 3.600 . 5.200 4.666 4.460 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 53 SER HA 1 55 LEU H 3.700 . 5.400 4.122 3.989 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 52 ASN HA 1 55 LEU H 2.700 . 3.600 3.173 3.105 3.258 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 50 ILE MG 1 55 LEU H 3.100 . 4.300 3.657 3.499 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 27 ARG HB3 1 55 LEU H 3.900 . 5.500 5.582 5.261 6.060 0.560 30 1 "[ . 1 . 2 . +]" 1
638 1 54 GLU QB 1 55 LEU H 2.800 . 3.800 3.138 2.821 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 54 GLU QG 1 55 LEU H 3.900 . 5.500 3.503 2.125 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 52 ASN HB2 1 55 LEU H 4.300 . 5.500 5.465 5.413 5.526 0.026 6 0 "[ . 1 . 2 . 3]" 1
641 1 56 LEU H 1 57 HIS H 2.600 . 3.400 2.740 2.643 2.856 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 55 LEU H 1 56 LEU H 2.600 . 3.400 2.727 2.637 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 53 SER H 1 56 LEU H 3.700 . 5.400 5.142 5.064 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 31 LEU QD 1 66 ARG H 3.900 . 5.500 4.868 4.621 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 55 LEU HB2 1 56 LEU H 2.800 . 3.800 3.874 3.845 3.898 0.098 24 0 "[ . 1 . 2 . 3]" 1
646 1 55 LEU HB3 1 56 LEU H 2.900 . 4.000 3.540 3.466 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 55 LEU H 1 57 HIS H 3.400 . 4.800 4.139 3.970 4.319 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 57 HIS H 1 58 MET H 2.400 . 3.100 2.687 2.578 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 56 LEU HA 1 57 HIS H 2.800 . 3.800 3.543 3.514 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 53 SER HA 1 57 HIS H 3.300 . 5.500 4.794 4.696 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 55 LEU HA 1 57 HIS H 3.600 . 5.200 4.483 4.293 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 54 GLU HA 1 57 HIS H 2.600 . 3.400 3.288 3.140 3.418 0.018 20 0 "[ . 1 . 2 . 3]" 1
653 1 56 LEU MD2 1 57 HIS H 3.200 . 4.500 4.024 3.000 4.561 0.061 1 0 "[ . 1 . 2 . 3]" 1
654 1 56 LEU MD1 1 57 HIS H 3.200 . 4.500 3.950 2.362 4.561 0.061 19 0 "[ . 1 . 2 . 3]" 1
655 1 56 LEU QB 1 57 HIS H 2.900 . 4.000 2.608 2.308 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 54 GLU QG 1 57 HIS H 4.800 . 5.500 5.186 4.724 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 55 LEU HG 1 57 HIS H 3.200 . 5.500 4.509 4.377 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 58 MET H 1 59 LEU H 2.600 . 3.400 2.705 2.548 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 58 MET HA 1 59 LEU H 3.100 . 4.300 3.560 3.507 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 55 LEU HA 1 59 LEU H 3.400 . 4.800 4.583 4.257 4.842 0.042 19 0 "[ . 1 . 2 . 3]" 1
661 1 57 HIS HA 1 59 LEU H 3.500 . 5.000 4.624 4.197 5.053 0.053 20 0 "[ . 1 . 2 . 3]" 1
662 1 31 LEU QD 1 59 LEU H 4.000 . 5.500 3.624 3.229 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 58 MET HB2 1 59 LEU H 2.500 . 3.300 2.511 2.326 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 58 MET QG 1 59 LEU H 3.300 . 4.700 4.192 3.956 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 59 LEU H 1 60 GLU H 2.300 . 3.000 2.588 2.479 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 58 MET H 1 60 GLU H 3.500 . 5.000 3.748 3.502 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 57 HIS HB3 1 60 GLU H 4.200 . 5.500 5.175 4.828 5.467 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 58 MET HA 1 60 GLU H 3.100 . 4.300 3.809 3.612 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 59 LEU HA 1 60 GLU H 2.700 . 3.600 3.380 3.269 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 57 HIS HA 1 60 GLU H 2.800 . 5.500 3.497 3.231 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 59 LEU QD 1 60 GLU H 3.200 . 4.500 3.497 2.095 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 59 LEU QB 1 60 GLU H 2.800 . 5.500 3.304 2.900 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 59 LEU H 1 61 SER H 3.000 . 4.100 3.978 3.859 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 61 SER H 1 64 SER H 3.800 . 5.500 5.506 5.424 5.545 0.045 3 0 "[ . 1 . 2 . 3]" 1
675 1 61 SER H 1 65 LEU H 3.800 . 5.500 4.520 4.351 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 58 MET H 1 61 SER H 4.200 . 5.500 4.666 4.401 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 58 MET HA 1 61 SER H 2.600 . 3.400 3.251 3.143 3.419 0.019 29 0 "[ . 1 . 2 . 3]" 1
678 1 60 GLU HA 1 61 SER H 2.600 . 3.400 3.326 3.231 3.413 0.013 23 0 "[ . 1 . 2 . 3]" 1
679 1 57 HIS HA 1 61 SER H 3.400 . 4.800 4.540 4.259 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 60 GLU QG 1 61 SER H 2.900 . 4.000 3.545 2.735 4.070 0.070 19 0 "[ . 1 . 2 . 3]" 1
681 1 61 SER H 1 63 GLU H 4.600 . 5.500 5.495 5.414 5.533 0.033 30 0 "[ . 1 . 2 . 3]" 1
682 1 63 GLU H 1 64 SER H 2.500 . 3.300 2.563 2.503 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 63 GLU H 1 65 LEU H 3.300 . 4.700 4.079 3.696 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 63 GLU H 1 66 ARG H 4.000 . 5.500 4.847 4.765 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 61 SER QB 1 63 GLU H 4.200 . 5.500 3.955 3.598 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 61 SER HA 1 63 GLU H 3.100 . 4.300 3.483 3.395 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 64 SER H 1 65 LEU H 2.300 . 3.000 2.654 2.474 2.736 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 64 SER H 1 66 ARG H 3.400 . 4.800 4.590 4.397 4.804 0.004 5 0 "[ . 1 . 2 . 3]" 1
689 1 61 SER QB 1 64 SER H 3.200 . 4.000 2.707 2.289 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 63 GLU HA 1 64 SER H 2.900 . 4.000 3.561 3.548 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 61 SER HA 1 64 SER H 3.700 . 5.400 3.931 3.791 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 63 GLU QB 1 64 SER H 3.100 . 3.300 2.608 2.324 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 63 GLU QG 1 64 SER H 3.000 . 4.100 3.351 1.980 4.101 0.001 16 0 "[ . 1 . 2 . 3]" 1
694 1 65 LEU H 1 68 LYS H 3.500 . 5.000 4.726 4.547 5.028 0.028 23 0 "[ . 1 . 2 . 3]" 1
695 1 65 LEU H 1 66 ARG H 2.500 . 3.300 2.964 2.715 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 61 SER QB 1 65 LEU H 4.000 . 5.200 2.478 2.252 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 58 MET HA 1 65 LEU H 3.200 . 4.500 3.777 3.487 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 64 SER HB2 1 65 LEU H 2.500 . 3.300 2.601 2.205 3.888 0.588 22 2 "[ . 1 . 2 + . - 3]" 1
699 1 64 SER HA 1 65 LEU H 2.700 . 3.600 3.531 3.438 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 58 MET HB3 1 65 LEU H 3.300 . 5.500 5.076 4.832 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 58 MET QG 1 65 LEU H 4.200 . 5.500 5.223 4.664 5.561 0.061 23 0 "[ . 1 . 2 . 3]" 1
702 1 66 ARG H 1 68 LYS H 3.700 . 5.400 4.282 4.127 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 66 ARG H 1 67 SER H 2.500 . 3.300 2.817 2.737 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 66 ARG H 1 69 VAL H 3.800 . 5.500 4.928 4.826 5.087 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 53 SER HA 1 56 LEU H 2.800 . 3.800 3.774 3.697 3.823 0.023 1 0 "[ . 1 . 2 . 3]" 1
706 1 65 LEU HG 1 66 ARG H 3.100 . 4.300 3.486 2.029 4.317 0.017 7 0 "[ . 1 . 2 . 3]" 1
707 1 65 LEU H 1 67 SER H 3.200 . 4.500 4.012 3.706 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 67 SER H 1 70 ASP H 4.000 . 5.500 4.503 4.428 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 67 SER H 1 69 VAL H 3.300 . 4.700 4.389 4.248 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 66 ARG QD 1 67 SER H 3.900 . 5.500 4.866 3.842 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 66 ARG HA 1 67 SER H 2.900 . 4.000 3.497 3.470 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 65 LEU HA 1 67 SER H 3.700 . 5.400 4.143 4.033 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 63 GLU HA 1 67 SER H 3.200 . 4.500 4.361 4.050 4.506 0.006 13 0 "[ . 1 . 2 . 3]" 1
714 1 64 SER HA 1 67 SER H 2.800 . 5.500 3.904 3.702 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 65 LEU QD 1 67 SER H 4.100 . 5.500 4.117 3.802 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 66 ARG QG 1 67 SER H 3.200 . 4.500 4.364 4.024 4.516 0.016 21 0 "[ . 1 . 2 . 3]" 1
717 1 66 ARG HB3 1 67 SER H 2.300 . 3.000 2.916 2.778 3.037 0.037 1 0 "[ . 1 . 2 . 3]" 1
718 1 67 SER H 1 68 LYS H 2.600 . 3.400 2.552 2.475 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 66 ARG HA 1 68 LYS H 4.100 . 5.500 4.288 4.176 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 67 SER QB 1 68 LYS H 2.600 . 3.400 2.643 2.437 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 65 LEU HA 1 68 LYS H 3.200 . 4.500 3.317 3.142 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 67 SER HA 1 68 LYS H 3.100 . 4.300 3.521 3.493 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 68 LYS H 1 69 VAL H 2.400 . 3.100 2.785 2.687 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 69 VAL H 1 72 ALA H 4.200 . 5.500 4.625 4.526 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 69 VAL H 1 70 ASP H 2.400 . 3.100 2.629 2.527 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 66 ARG HA 1 69 VAL H 2.800 . 3.800 3.592 3.477 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 67 SER QB 1 69 VAL H 3.500 . 5.000 5.004 4.900 5.040 0.040 19 0 "[ . 1 . 2 . 3]" 1
728 1 65 LEU HA 1 69 VAL H 3.400 . 4.800 4.014 3.823 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 68 LYS HA 1 69 VAL H 2.900 . 4.000 3.567 3.546 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 69 VAL H 2 6 LEU QD 4.500 . 5.500 3.970 3.497 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 65 LEU QD 1 69 VAL H 2.800 . 3.800 2.819 2.512 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 31 LEU QD 1 69 VAL H 3.400 . 5.500 4.397 4.145 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 68 LYS QG 1 69 VAL H 3.900 . 5.500 3.914 3.056 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 66 ARG QG 1 69 VAL H 3.700 . 5.400 5.130 5.020 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 68 LYS QB 1 69 VAL H 2.600 . 3.600 2.248 2.105 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 70 ASP H 1 72 ALA H 3.500 . 5.000 3.625 3.513 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 70 ASP H 1 71 GLU H 2.500 . 3.300 2.713 2.648 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 68 LYS H 1 70 ASP H 3.200 . 4.500 3.639 3.531 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 69 VAL HA 1 70 ASP H 3.000 . 4.100 3.429 3.396 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 66 ARG HA 1 70 ASP H 3.000 . 4.100 3.943 3.743 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 69 VAL QG 1 70 ASP H 2.800 . 5.500 3.472 3.372 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 66 ARG QG 1 70 ASP H 3.600 . 5.200 4.589 4.182 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 35 MET ME 1 70 ASP H 3.200 . 4.500 3.806 3.004 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 69 VAL HB 1 70 ASP H 2.300 . 5.500 3.219 3.147 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 71 GLU H 1 72 ALA H 2.500 . 3.300 2.452 2.422 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 71 GLU H 1 73 VAL H 3.400 . 4.800 4.324 4.048 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 69 VAL H 1 71 GLU H 3.300 . 4.700 4.558 4.500 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 70 ASP HB2 1 71 GLU H 2.700 . 5.500 3.802 3.619 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 69 VAL HA 1 71 GLU H 3.600 . 5.200 4.180 4.138 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 68 LYS HA 1 71 GLU H 2.600 . 5.500 3.798 3.637 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 70 ASP HA 1 71 GLU H 3.100 . 4.300 3.547 3.537 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 69 VAL QG 1 71 GLU H 4.400 . 5.500 4.622 4.567 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 70 ASP HB3 1 71 GLU H 2.900 . 4.000 2.426 2.365 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 72 ALA H 1 74 ALA H 3.400 . 4.800 3.852 3.733 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 72 ALA H 1 73 VAL H 2.600 . 3.400 2.729 2.574 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 69 VAL HA 1 72 ALA H 2.800 . 3.800 2.746 2.685 2.788 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 71 GLU HA 1 72 ALA H 3.000 . 4.100 3.462 3.411 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 68 LYS HA 1 72 ALA H 3.200 . 5.500 4.857 4.696 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 70 ASP HA 1 72 ALA H 3.900 . 5.500 4.095 3.872 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 69 VAL QG 1 72 ALA H 4.200 . 5.500 3.586 3.471 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 72 ALA H 2 6 LEU QB 3.400 . 5.500 4.702 3.748 5.525 0.025 3 0 "[ . 1 . 2 . 3]" 1
762 1 71 GLU HB3 1 72 ALA H 2.400 . 3.100 2.903 2.733 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 71 GLU HG3 1 72 ALA H 3.400 . 4.800 4.659 4.474 4.939 0.139 6 0 "[ . 1 . 2 . 3]" 1
764 1 73 VAL H 1 74 ALA H 2.400 . 3.100 2.535 2.454 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 69 VAL HA 1 73 VAL H 3.400 . 4.800 4.085 3.941 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 72 ALA HA 1 73 VAL H 3.100 . 4.300 3.554 3.503 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 71 GLU HA 1 73 VAL H 3.700 . 5.400 4.300 3.980 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 70 ASP HA 1 73 VAL H 2.800 . 3.800 3.617 3.427 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 69 VAL QG 1 73 VAL H 4.100 . 4.700 3.135 2.902 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 72 ALA MB 1 73 VAL H 2.300 . 3.000 2.555 2.338 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 74 ALA H 1 75 VAL H 2.700 . 3.600 2.580 2.373 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 74 ALA H 1 76 LEU H 3.700 . 5.400 4.059 3.947 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 73 VAL HA 1 74 ALA H 3.100 . 4.300 3.475 3.446 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 72 ALA HA 1 74 ALA H 3.900 . 5.500 4.004 3.897 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 71 GLU HA 1 74 ALA H 3.000 . 4.100 3.208 3.022 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 70 ASP HA 1 74 ALA H 3.500 . 5.000 4.906 4.816 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 73 VAL QG 1 74 ALA H 3.000 . 3.800 2.661 2.088 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 73 VAL HB 1 74 ALA H 2.900 . 4.000 3.545 2.835 4.078 0.078 22 0 "[ . 1 . 2 . 3]" 1
779 1 75 VAL H 1 77 GLN H 4.300 . 5.500 4.327 4.071 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 72 ALA HA 1 75 VAL H 3.200 . 4.500 3.149 2.727 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 71 GLU HA 1 75 VAL H 3.700 . 5.400 4.480 4.368 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 74 ALA HA 1 75 VAL H 3.400 . 4.800 3.530 3.473 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 74 ALA MB 1 75 VAL H 2.600 . 3.400 2.700 2.575 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 76 LEU H 1 77 GLN H 2.600 . 3.400 2.599 2.470 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 75 VAL H 1 76 LEU H 2.600 . 3.400 2.617 2.493 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 73 VAL HA 1 76 LEU H 3.000 . 4.100 3.592 3.365 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 75 VAL HA 1 76 LEU H 3.100 . 4.300 3.483 3.458 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 72 ALA HA 1 76 LEU H 3.500 . 5.000 4.744 4.378 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 74 ALA HA 1 76 LEU H 4.200 . 5.500 3.967 3.764 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 43 ILE MD 1 76 LEU H 4.100 . 5.500 3.976 3.619 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 73 VAL QG 1 76 LEU H 3.900 . 5.500 4.397 4.213 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 75 VAL QG 1 76 LEU H 3.000 . 4.100 2.244 1.943 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 46 MET ME 1 76 LEU H 3.100 . 4.300 4.162 3.389 4.326 0.026 2 0 "[ . 1 . 2 . 3]" 1
794 1 77 GLN H 1 78 ALA H 2.600 . 3.400 2.712 2.610 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 77 GLN H 1 79 HIS H 3.800 . 5.500 3.894 3.745 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 73 VAL HA 1 77 GLN H 3.400 . 4.800 4.651 4.203 4.866 0.066 11 0 "[ . 1 . 2 . 3]" 1
797 1 75 VAL HA 1 77 GLN H 4.000 . 5.500 4.676 4.464 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 74 ALA HA 1 77 GLN H 3.000 . 4.100 3.209 2.952 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 43 ILE MD 1 77 GLN H 5.300 . 5.500 5.018 4.536 5.506 0.006 11 0 "[ . 1 . 2 . 3]" 1
800 1 73 VAL QG 1 77 GLN H 3.500 . 5.000 4.282 3.918 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 76 LEU QD 1 77 GLN H 3.600 . 5.200 3.154 2.427 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 75 VAL QG 1 77 GLN H 4.600 . 5.500 4.245 4.066 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 76 LEU QB 1 77 GLN H 3.000 . 3.800 2.363 2.118 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 76 LEU HG 1 77 GLN H 3.300 . 4.700 4.477 3.417 4.827 0.127 28 0 "[ . 1 . 2 . 3]" 1
805 1 80 GLN H 1 81 ALA H 2.600 . 3.400 2.584 2.333 2.740 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 75 VAL HA 1 78 ALA H 4.100 . 5.500 3.555 3.293 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 77 GLN QB 1 78 ALA H 3.700 . 3.800 2.823 2.667 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 80 GLN HB2 1 81 ALA H 3.000 . 4.100 3.487 2.473 4.190 0.090 21 0 "[ . 1 . 2 . 3]" 1
809 1 77 GLN QG 1 78 ALA H 4.600 . 5.500 4.002 1.966 4.406 0.034 22 0 "[ . 1 . 2 . 3]" 1
810 1 80 GLN HG2 1 81 ALA H 5.000 . 5.500 5.007 2.813 5.608 0.108 24 0 "[ . 1 . 2 . 3]" 1
811 1 79 HIS HA 1 81 ALA H 3.900 . 5.500 3.893 3.251 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 79 HIS HD2 1 80 GLN H 4.100 . 5.500 4.925 3.747 5.514 0.014 24 0 "[ . 1 . 2 . 3]" 1
813 1 80 GLN H 1 82 LYS H 3.900 . 5.500 4.932 3.869 5.530 0.030 11 0 "[ . 1 . 2 . 3]" 1
814 1 79 HIS H 1 80 GLN H 2.700 . 3.600 2.732 2.457 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 79 HIS HB3 1 80 GLN H 2.700 . 5.500 2.512 1.930 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 78 ALA HA 1 80 GLN H 3.700 . 5.400 4.462 3.594 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 79 HIS HA 1 80 GLN H 3.100 . 4.300 3.533 3.361 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 79 HIS HB2 1 80 GLN H 3.100 . 4.300 3.713 3.194 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 78 ALA H 1 79 HIS H 2.500 . 3.300 2.342 2.279 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 76 LEU H 1 79 HIS H 4.200 . 5.500 4.390 4.237 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 75 VAL QG 1 79 HIS H 3.800 . 5.500 4.352 4.122 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 76 LEU QD 1 79 HIS H 4.100 . 5.500 4.090 3.477 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 78 ALA MB 1 79 HIS H 2.600 . 3.400 2.916 2.728 3.082 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 76 LEU QB 1 79 HIS H 3.700 . 5.400 4.513 4.259 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 75 VAL HA 1 79 HIS H 3.800 . 5.500 4.261 4.062 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 76 LEU HA 1 79 HIS H 2.800 . 3.800 3.069 2.812 3.388 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 78 ALA HA 1 79 HIS H 3.000 . 4.100 3.458 3.406 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 81 ALA MB 1 83 GLU H 3.500 . 5.000 4.012 3.783 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 82 LYS HA 1 83 GLU H 2.600 . 5.500 3.408 3.300 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 81 ALA HA 1 83 GLU H 3.400 . 4.800 4.192 3.902 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 79 HIS HA 1 83 GLU H 3.500 . 5.000 4.461 3.666 5.006 0.006 18 0 "[ . 1 . 2 . 3]" 1
832 1 86 GLN HB2 1 87 LYS H 3.100 . 4.300 3.261 1.915 4.365 0.065 28 0 "[ . 1 . 2 . 3]" 1
833 1 86 GLN HB3 1 87 LYS H 3.100 . 4.300 3.275 1.887 4.380 0.080 28 0 "[ . 1 . 2 . 3]" 1
834 1 84 ALA H 1 85 ALA H 2.500 . 3.300 2.586 2.402 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 81 ALA MB 1 84 ALA H 3.900 . 5.500 4.805 4.498 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 83 GLU QB 1 84 ALA H 2.800 . 3.800 2.703 2.296 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 83 GLU HG2 1 84 ALA H 3.700 . 5.400 4.305 2.502 5.433 0.033 30 0 "[ . 1 . 2 . 3]" 1
838 1 83 GLU HG3 1 84 ALA H 3.600 . 5.200 4.462 2.432 5.409 0.209 13 0 "[ . 1 . 2 . 3]" 1
839 1 81 ALA HA 1 84 ALA H 3.100 . 4.300 3.970 3.406 4.338 0.038 11 0 "[ . 1 . 2 . 3]" 1
840 1 83 GLU QB 1 85 ALA H 3.800 . 5.500 4.450 4.196 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 83 GLU HA 1 85 ALA H 3.600 . 5.200 3.833 2.987 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 84 ALA HA 1 85 ALA H 2.700 . 3.600 3.361 3.099 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 84 ALA HA 1 86 GLN H 3.800 . 5.500 4.142 3.127 5.505 0.005 30 0 "[ . 1 . 2 . 3]" 1
844 1 83 GLU HA 1 86 GLN H 3.300 . 4.700 4.260 3.331 7.328 2.628 30 1 "[ . 1 . 2 . +]" 1
845 1 85 ALA MB 1 86 GLN H 2.700 . 3.600 2.800 1.904 3.702 0.102 28 0 "[ . 1 . 2 . 3]" 1
846 1 88 ALA MB 1 89 VAL H 2.800 . 3.800 3.542 3.228 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 87 LYS HA 1 89 VAL H 3.500 . 5.000 4.194 2.941 5.013 0.013 28 0 "[ . 1 . 2 . 3]" 1
848 1 88 ALA HA 1 89 VAL H 2.500 . 3.300 2.688 2.187 3.306 0.006 11 0 "[ . 1 . 2 . 3]" 1
849 1 89 VAL H 1 90 ASN H 3.300 . 4.700 3.643 2.110 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 89 VAL MG2 1 90 ASN H 3.600 . 5.200 3.725 2.075 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 89 VAL HB 1 90 ASN H 3.500 . 5.000 3.720 2.195 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 89 VAL HA 1 90 ASN H 2.900 . 4.000 2.640 2.139 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 92 ALA H 1 93 THR H 4.000 . 5.500 3.985 2.535 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 93 THR H 1 94 GLY H 3.700 . 5.400 3.680 2.075 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 92 ALA MB 1 93 THR H 3.800 . 5.500 3.012 2.066 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 92 ALA HA 1 93 THR H 3.400 . 4.800 2.544 2.151 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 93 THR MG 1 94 GLY H 4.400 . 5.500 3.573 2.132 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 93 THR HA 1 94 GLY H 3.300 . 4.700 2.760 2.140 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 94 GLY H 1 95 VAL H 3.600 . 5.200 3.524 2.272 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 94 GLY QA 1 95 VAL H 2.800 . 3.800 2.384 2.106 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 31 LEU HB2 1 32 ILE H 3.400 . 4.800 2.668 2.535 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 31 LEU HG 1 32 ILE H 3.500 . 5.000 3.300 3.018 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 97 THR H 1 98 VAL H 4.300 . 5.500 3.587 2.006 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 97 THR HA 1 98 VAL H 3.400 . 4.800 2.791 2.139 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
865 2 2 VAL H 2 2 VAL HA 3.000 . 4.100 2.909 2.878 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
866 2 2 VAL H 2 2 VAL HB 2.900 . 4.000 2.948 2.587 3.662 . 0 0 "[ . 1 . 2 . 3]" 1
867 2 3 LYS H 2 3 LYS HA 2.900 . 4.000 2.904 2.865 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
868 2 3 LYS H 2 3 LYS HB3 2.600 . 5.500 3.313 2.361 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
869 2 3 LYS H 2 3 LYS HB2 3.300 . 4.700 2.712 2.093 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
870 2 3 LYS H 2 3 LYS HG2 3.100 . 4.300 3.262 1.637 4.646 0.346 7 0 "[ . 1 . 2 . 3]" 1
871 2 3 LYS HA 2 4 SER H 2.300 . 3.000 2.395 2.134 3.068 0.068 25 0 "[ . 1 . 2 . 3]" 1
872 2 4 SER H 2 4 SER QB 3.100 . 4.000 2.570 2.173 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
873 2 5 ASN H 2 5 ASN HA 2.300 . 3.000 2.940 2.933 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
874 2 5 ASN H 2 5 ASN HB3 2.800 . 3.800 3.523 2.879 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
875 2 6 LEU H 2 6 LEU HA 2.800 . 3.800 2.840 2.808 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
876 2 6 LEU H 2 6 LEU QB 2.300 . 3.000 2.155 2.034 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
877 2 6 LEU H 2 6 LEU QD 3.000 . 4.100 3.316 2.860 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
878 2 7 ASN H 2 7 ASN HA 3.000 . 4.100 2.887 2.861 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
879 2 7 ASN H 2 7 ASN HB2 2.700 . 3.600 2.267 2.193 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
880 2 7 ASN H 2 7 ASN HB3 2.700 . 3.600 2.960 2.897 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
881 2 9 ASN H 2 9 ASN HA 2.900 . 4.000 2.946 2.944 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
882 2 9 ASN H 2 9 ASN HB3 2.700 . 5.500 3.797 3.746 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
883 2 9 ASN H 2 9 ASN HB2 2.600 . 3.400 2.702 2.583 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
884 2 10 ALA H 2 10 ALA HA 2.500 . 3.300 2.794 2.755 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
885 2 10 ALA H 2 10 ALA MB 2.200 . 2.800 2.131 2.020 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
886 2 11 LYS H 2 11 LYS HA 3.000 . 4.100 2.948 2.939 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
887 2 11 LYS H 2 11 LYS HB3 2.700 . 3.600 3.670 2.427 3.872 0.272 9 0 "[ . 1 . 2 . 3]" 1
888 2 11 LYS H 2 11 LYS HB2 2.700 . 5.500 3.000 2.674 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
889 2 11 LYS H 2 11 LYS QG 2.500 . 3.300 2.569 1.740 3.400 0.100 15 0 "[ . 1 . 2 . 3]" 1
890 2 12 GLU H 2 12 GLU QG 2.700 . 5.500 3.069 1.634 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
891 2 12 GLU H 2 12 GLU HB2 2.200 . 2.800 2.327 2.061 2.822 0.022 24 0 "[ . 1 . 2 . 3]" 1
892 2 13 PHE H 2 13 PHE HA 2.600 . 3.400 2.908 2.901 2.935 . 0 0 "[ . 1 . 2 . 3]" 1
893 2 13 PHE H 2 13 PHE HB3 2.700 . 3.600 2.726 2.566 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
894 2 13 PHE H 2 13 PHE HB2 2.900 . 4.000 2.479 2.251 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
895 2 14 VAL H 2 14 VAL HA 2.900 . 4.000 2.942 2.928 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
896 2 14 VAL H 2 14 VAL HB 2.700 . 3.600 3.349 2.637 3.750 0.150 20 0 "[ . 1 . 2 . 3]" 1
897 2 14 VAL H 2 14 VAL QG 2.600 . 3.400 2.076 1.597 2.780 0.203 1 0 "[ . 1 . 2 . 3]" 1
898 2 16 GLY H 2 16 GLY HA3 2.700 . 3.600 2.892 2.859 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
899 2 16 GLY H 2 16 GLY HA2 2.500 . 3.300 2.327 2.306 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
900 2 17 VAL H 2 17 VAL HA 2.500 . 3.300 2.935 2.921 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
901 2 17 VAL H 2 17 VAL HB 2.900 . 4.000 3.463 2.546 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
902 2 17 VAL H 2 17 VAL MG1 2.400 . 3.100 2.924 2.336 3.890 0.790 18 4 "[ * .* 1 . +-2 . 3]" 1
903 2 18 LYS H 2 18 LYS HA 2.800 . 3.800 2.813 2.790 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
904 2 18 LYS H 2 18 LYS QB 2.300 . 3.000 2.558 2.039 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
905 2 18 LYS H 2 18 LYS HG3 2.900 . 4.000 2.783 1.752 3.699 0.048 18 0 "[ . 1 . 2 . 3]" 1
906 2 13 PHE H 2 13 PHE QD 3.300 . 4.700 4.204 4.146 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
907 2 19 TYR H 2 19 TYR HA 2.700 . 3.600 2.867 2.819 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
908 2 19 TYR H 2 19 TYR HB3 2.500 . 5.500 2.902 2.672 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
909 2 19 TYR H 2 19 TYR HB2 2.600 . 5.500 2.275 2.064 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
910 2 19 TYR H 2 19 TYR QD 3.200 . 4.500 3.996 3.227 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
911 2 20 GLY H 2 20 GLY HA3 2.800 . 3.800 2.905 2.859 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
912 2 20 GLY H 2 20 GLY HA2 2.700 . 3.600 2.339 2.306 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
913 2 21 ASN H 2 21 ASN HB3 3.700 . 5.400 2.858 2.464 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
914 2 21 ASN H 2 21 ASN HB2 3.200 . 4.500 2.824 2.293 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
915 2 22 ILE H 2 22 ILE HB 3.400 . 4.800 3.081 2.707 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
916 2 22 ILE H 2 22 ILE QG 4.200 . 5.500 2.800 2.019 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
917 2 22 ILE H 2 22 ILE MG 3.700 . 5.400 3.306 2.074 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
918 2 22 ILE H 2 22 ILE MD 3.900 . 5.500 3.599 2.000 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
919 2 1 VAL HA 2 2 VAL H 2.300 . 3.000 2.440 2.139 3.032 0.032 4 0 "[ . 1 . 2 . 3]" 1
920 2 2 VAL MG1 2 3 LYS H 2.800 . 3.800 3.233 1.973 3.964 0.164 4 0 "[ . 1 . 2 . 3]" 1
921 2 2 VAL HB 2 3 LYS H 3.300 . 4.700 3.717 1.972 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
922 2 2 VAL HA 2 3 LYS H 2.200 . 2.800 2.289 2.141 2.830 0.030 23 0 "[ . 1 . 2 . 3]" 1
923 2 4 SER H 2 5 ASN H 3.900 . 5.500 4.500 4.230 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
924 2 2 VAL QG 2 4 SER H 3.800 . 5.500 3.733 2.157 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
925 2 3 LYS QG 2 4 SER H 3.800 . 5.500 4.101 3.131 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
926 2 3 LYS HB3 2 4 SER H 3.200 . 4.500 3.964 1.606 4.655 0.294 15 0 "[ . 1 . 2 . 3]" 1
927 2 5 ASN H 2 6 LEU H 2.900 . 4.000 2.375 2.085 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 47 LEU QD 2 5 ASN H 3.900 . 5.500 4.169 3.750 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
929 2 4 SER QB 2 5 ASN H 3.700 . 5.400 2.586 1.982 3.323 0.018 12 0 "[ . 1 . 2 . 3]" 1
930 2 4 SER HA 2 5 ASN H 2.500 . 3.300 2.571 2.169 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
931 2 5 ASN QB 2 6 LEU H 3.400 . 4.800 2.336 1.999 2.791 0.001 10 0 "[ . 1 . 2 . 3]" 1
932 2 4 SER QB 2 6 LEU H 3.600 . 5.000 3.768 2.577 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
933 2 6 LEU H 2 7 ASN H 3.500 . 5.000 3.105 2.932 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 47 LEU QD 2 7 ASN H 2.700 . 5.500 1.918 1.536 2.126 . 0 0 "[ . 1 . 2 . 3]" 1
935 2 6 LEU QD 2 7 ASN H 3.300 . 4.600 3.417 2.742 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
936 2 7 ASN H 2 10 ALA MB 3.800 . 5.000 4.586 4.078 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 47 LEU HB3 2 7 ASN H 3.000 . 5.000 4.949 4.446 5.077 0.077 21 0 "[ . 1 . 2 . 3]" 1
938 2 6 LEU HA 2 7 ASN H 2.700 . 3.600 3.543 3.516 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
939 2 7 ASN HD21 2 10 ALA MB 4.000 . 5.500 4.615 4.445 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
940 2 7 ASN HD21 2 9 ASN HB2 4.100 . 5.500 2.312 2.018 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
941 2 7 ASN HB3 2 7 ASN HD21 3.200 . 4.500 2.244 2.120 2.483 . 0 0 "[ . 1 . 2 . 3]" 1
942 2 7 ASN HB2 2 7 ASN HD21 3.100 . 4.300 3.447 3.168 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
943 2 7 ASN HD21 2 10 ALA HA 3.700 . 5.400 4.030 3.599 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
944 2 7 ASN HD22 2 9 ASN HB3 3.500 . 5.000 4.196 3.892 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
945 2 7 ASN HB2 2 7 ASN HD22 3.500 . 5.000 4.044 3.900 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
946 2 8 PRO HA 2 9 ASN H 2.900 . 4.000 3.310 3.181 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
947 2 4 SER QB 2 9 ASN H 3.400 . 4.800 4.537 4.354 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
948 2 7 ASN HD22 2 9 ASN H 3.400 . 4.800 3.082 2.789 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
949 2 9 ASN H 2 10 ALA H 2.500 . 5.500 2.909 2.463 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
950 2 7 ASN HD22 2 10 ALA H 3.700 . 5.400 5.411 5.329 5.450 0.050 21 0 "[ . 1 . 2 . 3]" 1
951 2 10 ALA H 2 11 LYS H 3.300 . 4.700 4.231 4.102 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 47 LEU QD 2 10 ALA H 4.300 . 5.000 4.866 4.353 5.056 0.056 29 0 "[ . 1 . 2 . 3]" 1
953 1 46 MET QB 2 10 ALA H 4.700 . 5.500 4.520 4.189 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
954 2 9 ASN HB2 2 10 ALA H 3.000 . 5.500 4.296 4.054 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
955 2 9 ASN HA 2 10 ALA H 2.900 . 4.000 2.694 2.505 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
956 2 10 ALA HA 2 11 LYS H 2.100 . 2.700 2.230 2.202 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
957 2 11 LYS H 2 12 GLU H 3.500 . 5.000 4.400 4.256 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
958 2 12 GLU H 2 14 VAL QG 4.000 . 5.500 4.128 3.584 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
959 2 11 LYS HB2 2 12 GLU H 2.800 . 3.800 3.558 2.084 4.148 0.348 21 0 "[ . 1 . 2 . 3]" 1
960 2 11 LYS HA 2 12 GLU H 2.100 . 5.500 2.287 2.141 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
961 2 12 GLU H 2 13 PHE H 3.600 . 5.200 4.627 4.570 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
962 2 13 PHE H 2 14 VAL H 3.700 . 5.400 4.061 3.636 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
963 2 12 GLU HB3 2 13 PHE H 2.700 . 3.600 2.708 2.050 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
964 2 12 GLU QG 2 13 PHE H 3.200 . 4.500 2.942 1.883 4.112 0.017 30 0 "[ . 1 . 2 . 3]" 1
965 1 45 GLY QA 2 13 PHE H 3.700 . 5.400 2.472 1.961 2.959 0.039 29 0 "[ . 1 . 2 . 3]" 1
966 2 12 GLU HA 2 13 PHE H 2.400 . 3.100 2.440 2.360 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 42 LYS HA 2 13 PHE H 3.400 . 5.500 4.932 4.462 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
968 2 13 PHE QD 2 14 VAL H 3.100 . 4.300 2.766 1.899 3.392 0.001 18 0 "[ . 1 . 2 . 3]" 1
969 1 48 LEU HB3 2 14 VAL H 3.600 . 5.200 5.189 4.741 5.421 0.221 24 0 "[ . 1 . 2 . 3]" 1
970 2 13 PHE HB2 2 14 VAL H 3.200 . 4.500 4.582 4.425 4.662 0.162 13 0 "[ . 1 . 2 . 3]" 1
971 2 13 PHE HB3 2 14 VAL H 3.400 . 4.800 4.326 4.187 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
972 2 13 PHE HA 2 14 VAL H 2.300 . 3.000 2.249 2.128 2.488 . 0 0 "[ . 1 . 2 . 3]" 1
973 2 13 PHE QE 2 16 GLY H 3.500 . 5.000 4.062 3.070 5.081 0.081 2 0 "[ . 1 . 2 . 3]" 1
974 2 16 GLY H 2 17 VAL H 2.900 . 4.000 3.079 2.736 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
975 2 16 GLY H 2 17 VAL QG 3.200 . 4.500 4.239 3.794 4.571 0.071 18 0 "[ . 1 . 2 . 3]" 1
976 2 16 GLY HA2 2 17 VAL H 3.000 . 4.100 3.490 3.350 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
977 2 17 VAL H 2 18 LYS H 3.700 . 5.400 4.449 4.281 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
978 2 18 LYS H 2 19 TYR H 3.400 . 4.800 4.203 4.103 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
979 2 17 VAL HB 2 18 LYS H 3.300 . 4.700 2.488 1.859 3.739 0.041 20 0 "[ . 1 . 2 . 3]" 1
980 2 17 VAL HA 2 18 LYS H 2.100 . 5.500 2.546 2.208 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
981 2 19 TYR H 2 20 GLY H 3.600 . 5.200 4.416 4.203 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
982 2 17 VAL MG2 2 19 TYR H 4.100 . 5.500 4.498 3.593 6.039 0.539 18 1 "[ . 1 . + 2 . 3]" 1
983 2 18 LYS QB 2 19 TYR H 3.200 . 4.500 3.693 3.425 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
984 2 18 LYS HA 2 19 TYR H 2.100 . 5.500 2.216 2.149 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
985 2 18 LYS QB 2 20 GLY H 4.100 . 5.500 4.893 4.327 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
986 2 19 TYR HB2 2 20 GLY H 3.500 . 5.000 4.516 4.387 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
987 2 19 TYR HB3 2 20 GLY H 3.500 . 5.000 4.049 3.656 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
988 2 19 TYR HA 2 20 GLY H 2.600 . 3.400 2.155 2.137 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
989 2 20 GLY HA2 2 21 ASN H 3.100 . 4.300 2.708 2.191 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
990 2 20 GLY HA3 2 21 ASN H 3.200 . 4.500 3.490 2.633 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
991 2 21 ASN H 2 22 ILE H 3.500 . 5.000 3.103 2.103 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
992 2 21 ASN HB2 2 22 ILE H 4.100 . 5.500 3.852 2.052 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
993 2 21 ASN HB3 2 22 ILE H 3.800 . 5.500 3.638 2.075 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
994 2 21 ASN HA 2 22 ILE H 2.600 . 3.400 2.959 2.138 3.535 0.135 22 0 "[ . 1 . 2 . 3]" 1
995 1 8 THR HA 1 8 THR MG 2.100 . 5.500 3.216 3.201 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 8 THR MG 1 33 GLN HB2 2.800 . 3.800 2.436 2.116 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 8 THR MG 1 23 MET HB3 2.800 . 5.500 5.435 5.280 5.530 0.030 24 0 "[ . 1 . 2 . 3]" 1
998 1 8 THR MG 1 33 GLN QG 2.700 . 3.600 2.886 2.465 3.267 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 8 THR MG 1 23 MET HB2 3.300 . 4.700 4.669 4.503 4.727 0.027 3 0 "[ . 1 . 2 . 3]" 1
1000 1 8 THR MG 1 11 MET HG3 3.200 . 4.500 4.480 4.433 4.512 0.012 27 0 "[ . 1 . 2 . 3]" 1
1001 1 8 THR HB 1 8 THR MG 1.800 . 2.200 2.078 2.069 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 8 THR MG 1 9 ALA HA 3.700 . 5.400 3.410 3.178 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 8 THR MG 1 24 LEU HA 3.300 . 4.700 3.719 3.410 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 9 ALA HA 1 12 LEU QD 2.200 . 2.800 2.231 1.914 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 9 ALA HA 1 9 ALA MB 1.800 . 2.200 2.109 2.090 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 9 ALA HA 1 12 LEU HB2 2.400 . 3.100 2.797 2.492 3.130 0.030 24 0 "[ . 1 . 2 . 3]" 1
1007 1 9 ALA MB 1 12 LEU QD 2.500 . 3.300 3.169 3.002 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 9 ALA MB 1 10 SER HA 2.900 . 4.000 3.825 3.761 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 8 THR HA 1 9 ALA MB 3.500 . 5.000 4.986 4.955 5.007 0.007 6 0 "[ . 1 . 2 . 3]" 1
1010 1 10 SER HA 1 13 ALA MB 2.300 . 3.000 3.030 3.004 3.056 0.056 12 0 "[ . 1 . 2 . 3]" 1
1011 1 10 SER HA 1 10 SER QB 2.000 . 2.500 2.429 2.287 2.524 0.024 27 0 "[ . 1 . 2 . 3]" 1
1012 1 9 ALA MB 1 10 SER QB 2.800 . 3.800 3.806 3.754 3.834 0.034 20 0 "[ . 1 . 2 . 3]" 1
1013 1 7 LEU HA 1 10 SER QB 3.500 . 5.000 4.117 3.339 4.881 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 10 SER QB 1 11 MET HA 3.200 . 4.500 4.049 3.862 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 11 MET HB2 1 12 LEU QD 3.100 . 3.300 3.269 3.085 3.315 0.015 17 0 "[ . 1 . 2 . 3]" 1
1016 1 11 MET HB2 1 23 MET HG3 2.800 . 5.500 4.423 3.949 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 11 MET HB2 1 23 MET HA 2.600 . 5.500 4.232 4.018 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 11 MET HA 1 11 MET HB2 2.600 . 3.400 3.023 3.017 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 11 MET HB2 1 11 MET HG3 2.200 . 2.800 2.244 2.232 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 11 MET ME 1 11 MET HG3 2.100 . 2.700 2.286 2.124 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 11 MET HB2 1 23 MET HB3 2.000 . 2.500 2.297 2.026 2.513 0.013 9 0 "[ . 1 . 2 . 3]" 1
1022 1 11 MET HA 1 11 MET HG2 2.300 . 3.000 2.505 2.439 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 55 LEU HB3 1 55 LEU QD 4.200 . 5.500 2.041 1.990 2.162 0.010 13 0 "[ . 1 . 2 . 3]" 1
1024 1 8 THR MG 1 11 MET ME 2.900 . 4.000 4.057 4.016 4.087 0.087 25 0 "[ . 1 . 2 . 3]" 1
1025 1 11 MET ME 1 22 GLN QG 2.500 . 3.300 3.254 3.185 3.318 0.018 25 0 "[ . 1 . 2 . 3]" 1
1026 1 11 MET ME 1 24 LEU HA 3.700 . 5.400 4.722 4.538 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 11 MET ME 1 23 MET HA 3.800 . 5.500 1.743 1.576 1.990 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 11 MET HA 1 11 MET ME 3.300 . 4.700 4.561 4.324 4.729 0.029 17 0 "[ . 1 . 2 . 3]" 1
1029 1 8 THR HB 1 11 MET ME 2.500 . 3.300 3.015 2.789 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 12 LEU HA 1 12 LEU QB 2.000 . 2.500 2.469 2.357 2.535 0.035 4 0 "[ . 1 . 2 . 3]" 1
1031 1 12 LEU HA 1 12 LEU QD . . 2.200 2.027 1.791 2.186 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 12 LEU HA 1 15 ALA MB 2.400 . 3.100 2.713 2.441 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 12 LEU HA 1 23 MET ME 3.000 . 5.500 2.062 1.566 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 12 LEU MD1 1 12 LEU MD2 1.800 . 2.200 2.025 1.910 2.088 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 8 THR MG 1 12 LEU QD 4.200 . 5.500 3.334 3.049 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 12 LEU QD 1 15 ALA MB 2.300 . 5.500 3.570 3.329 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 11 MET HB3 1 12 LEU QD 3.400 . 4.800 4.288 4.135 4.421 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 12 LEU QD 1 27 ARG HA 3.200 . 4.500 4.222 4.112 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 13 ALA MB 1 14 SER HA 3.100 . 4.300 3.922 3.870 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 14 SER HA 1 15 ALA MB 3.800 . 5.500 4.636 4.472 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 11 MET HA 1 14 SER HB2 2.600 . 3.400 3.084 2.096 4.384 0.984 14 7 "[* -. *1 +. * . **3]" 1
1042 1 14 SER QB 1 15 ALA MB 3.800 . 5.500 4.091 3.721 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 13 ALA MB 1 14 SER HB2 3.400 . 4.800 4.340 3.709 4.961 0.161 4 0 "[ . 1 . 2 . 3]" 1
1044 1 15 ALA HA 1 19 GLU QG 3.300 . 4.700 2.964 2.631 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 15 ALA HA 1 19 GLU HB3 3.000 . 4.100 3.670 3.128 4.115 0.015 24 0 "[ . 1 . 2 . 3]" 1
1046 1 11 MET HB3 1 15 ALA HA 2.800 . 5.500 5.566 5.364 5.640 0.140 17 0 "[ . 1 . 2 . 3]" 1
1047 1 15 ALA HA 1 23 MET ME 3.100 . 4.300 4.186 3.989 4.312 0.012 5 0 "[ . 1 . 2 . 3]" 1
1048 1 15 ALA HA 1 15 ALA MB 2.000 . 2.500 2.099 2.070 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 14 SER HB3 1 15 ALA HA 1.900 . 5.500 4.958 4.427 5.859 0.359 20 0 "[ . 1 . 2 . 3]" 1
1050 1 15 ALA MB 1 23 MET ME 2.100 . 2.700 1.814 1.650 2.047 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 15 ALA MB 1 19 GLU HB2 2.200 . 2.800 2.532 1.737 3.275 0.475 26 0 "[ . 1 . 2 . 3]" 1
1052 1 11 MET HB3 1 15 ALA MB 2.800 . 3.800 3.287 2.951 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 11 MET ME 1 15 ALA MB 2.600 . 5.500 4.666 4.290 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 15 ALA MB 1 19 GLU HB3 2.100 . 5.500 1.830 1.522 2.299 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 15 ALA MB 1 19 GLU QG 2.200 . 2.800 2.268 1.847 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 15 ALA MB 1 22 GLN QG 2.200 . 5.500 4.159 3.523 4.898 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 15 ALA MB 1 23 MET HG2 2.200 . 2.800 2.055 1.888 2.270 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 15 ALA MB 1 23 MET HG3 3.200 . 4.500 2.706 2.191 3.054 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 18 GLN HA 1 18 GLN HG3 2.500 . 3.300 2.931 2.128 3.612 0.312 16 0 "[ . 1 . 2 . 3]" 1
1060 1 18 GLN HA 1 18 GLN HG2 2.700 . 3.600 2.657 2.113 3.712 0.112 22 0 "[ . 1 . 2 . 3]" 1
1061 1 15 ALA MB 1 19 GLU HA 3.400 . 4.800 4.273 4.177 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 19 GLU QG 1 23 MET ME 1.900 . 5.500 3.938 3.278 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 19 GLU QG 1 23 MET HG2 2.700 . 5.500 4.030 3.091 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 19 GLU QG 1 23 MET HG3 2.900 . 4.000 3.400 2.604 4.092 0.092 18 0 "[ . 1 . 2 . 3]" 1
1065 1 19 GLU HA 1 19 GLU QG 2.200 . 2.800 2.488 2.154 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 20 GLN HA 1 20 GLN HG3 2.100 . 5.500 3.561 3.328 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 20 GLN HA 1 55 LEU QD 2.200 . 5.500 4.989 4.730 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 20 GLN HA 1 24 LEU HG 3.200 . 4.500 4.093 3.162 4.600 0.100 17 0 "[ . 1 . 2 . 3]" 1
1069 1 20 GLN HA 1 21 LYS HB3 3.000 . 5.500 4.867 4.670 5.538 0.038 26 0 "[ . 1 . 2 . 3]" 1
1070 1 20 GLN HA 1 23 MET ME 2.400 . 3.100 2.763 1.760 3.119 0.019 29 0 "[ . 1 . 2 . 3]" 1
1071 1 20 GLN HA 1 20 GLN QB 2.300 . 3.000 2.158 2.145 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 20 GLN HA 1 23 MET HG3 3.300 . 4.700 4.419 3.507 4.718 0.018 11 0 "[ . 1 . 2 . 3]" 1
1073 1 20 GLN QB 1 20 GLN HG2 2.200 . 2.800 2.193 2.123 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 21 LYS HA 1 48 LEU QD 2.700 . 3.600 3.539 3.313 3.615 0.015 27 0 "[ . 1 . 2 . 3]" 1
1075 1 21 LYS HA 1 21 LYS QE 3.800 . 5.500 4.524 3.841 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 21 LYS HB2 1 21 LYS HD3 2.900 . 4.000 2.928 2.346 4.095 0.095 26 0 "[ . 1 . 2 . 3]" 1
1077 1 21 LYS HB2 1 21 LYS HD2 2.900 . 4.000 3.072 1.980 3.869 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 21 LYS HD3 1 21 LYS QE 3.000 . 4.100 2.318 2.137 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 21 LYS HD2 1 21 LYS QE 3.000 . 4.100 2.354 2.139 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 21 LYS HA 1 21 LYS HD3 3.000 . 5.500 4.417 3.554 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 21 LYS HA 1 21 LYS HD2 3.300 . 5.500 4.590 3.705 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 22 GLN HA 1 22 GLN QG 2.200 . 2.800 2.686 2.482 2.787 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 22 GLN HA 1 22 GLN HB2 2.400 . 3.100 2.403 2.367 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 22 GLN HA 1 25 GLY HA2 2.700 . 5.500 5.115 4.933 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 21 LYS QE 1 22 GLN HA 2.800 . 5.500 3.592 2.815 4.916 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 23 MET HA 1 24 LEU QD 3.500 . 5.000 4.744 4.577 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 23 MET HA 1 23 MET HG3 2.400 . 5.500 3.370 3.320 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 23 MET HA 1 23 MET HB2 2.200 . 2.800 2.753 2.696 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 23 MET HA 1 23 MET HB3 2.000 . 2.500 2.236 2.226 2.263 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 12 LEU QD 1 23 MET HB2 2.700 . 3.600 2.525 2.071 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 12 LEU QD 1 23 MET HB3 2.900 . 4.000 3.674 3.337 4.008 0.008 4 0 "[ . 1 . 2 . 3]" 1
1092 1 23 MET HG3 1 24 LEU QD 3.700 . 5.400 4.083 3.215 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 12 LEU QD 1 23 MET HG3 3.100 . 4.300 4.142 3.868 4.298 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 23 MET HB3 1 23 MET HG3 2.200 . 2.800 2.582 2.463 2.844 0.044 12 0 "[ . 1 . 2 . 3]" 1
1095 1 23 MET HB2 1 23 MET HG3 2.300 . 3.000 2.980 2.819 3.011 0.011 18 0 "[ . 1 . 2 . 3]" 1
1096 1 23 MET HG2 1 24 LEU QD 3.700 . 5.400 4.270 4.068 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 12 LEU QD 1 23 MET HG2 2.900 . 4.000 3.153 2.569 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 23 MET HB2 1 23 MET HG2 2.300 . 3.000 2.572 2.457 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 23 MET HB3 1 23 MET HG2 2.100 . 2.700 1.990 1.892 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 23 MET HA 1 23 MET HG2 2.200 . 5.500 4.068 3.829 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 23 MET ME 1 24 LEU QD 2.800 . 3.400 2.343 1.825 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 12 LEU QD 1 23 MET ME 2.400 . 3.100 2.153 1.710 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 23 MET HA 1 23 MET ME 2.700 . 5.500 5.188 4.985 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 24 LEU HA 1 24 LEU HB2 2.400 . 3.100 2.386 2.257 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 23 MET HB3 1 24 LEU HA 3.100 . 5.500 4.674 4.525 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 24 LEU HA 1 24 LEU QD 2.100 . 4.000 3.259 3.190 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 12 LEU QD 1 24 LEU HA 2.500 . 5.500 3.519 3.349 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 24 LEU HA 1 24 LEU HB3 2.400 . 3.100 2.508 2.309 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 24 LEU HB3 1 24 LEU HG 2.600 . 3.400 2.780 2.423 3.018 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 24 LEU HB3 1 24 LEU QD 2.200 . 2.800 2.173 2.050 2.333 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 24 LEU HA 1 24 LEU HG 2.800 . 3.800 3.699 3.627 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 24 LEU QD 1 48 LEU QD 2.800 . 5.500 4.225 4.037 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 24 LEU QD 1 55 LEU QD 1.900 . 5.500 2.780 2.512 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 24 LEU QD 1 55 LEU HB2 2.600 . 5.500 4.507 4.380 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 24 LEU QD 1 28 LEU HB2 3.900 . 5.500 5.158 4.961 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 15 ALA MB 1 24 LEU QD 3.100 . 5.500 4.332 3.942 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 24 LEU QD 1 24 LEU HG 1.900 . 2.400 1.873 1.856 1.885 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 24 LEU HB2 1 24 LEU QD 2.200 . 3.000 2.247 2.054 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 20 GLN QB 1 24 LEU QD 2.600 . 3.400 2.377 1.973 2.688 0.027 12 0 "[ . 1 . 2 . 3]" 1
1120 1 20 GLN QG 1 24 LEU QD 3.500 . 5.000 3.798 2.739 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 24 LEU QD 1 25 GLY HA3 2.800 . 3.800 3.721 3.654 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 20 GLN HA 1 24 LEU QD 3.000 . 4.100 1.893 1.826 2.046 0.074 18 0 "[ . 1 . 2 . 3]" 1
1123 1 21 LYS HA 1 24 LEU QD 2.900 . 4.000 3.999 3.837 4.054 0.054 9 0 "[ . 1 . 2 . 3]" 1
1124 1 24 LEU QD 1 26 GLU HA 2.500 . 3.300 3.303 3.241 3.343 0.043 4 0 "[ . 1 . 2 . 3]" 1
1125 1 23 MET HB2 1 24 LEU QD 3.300 . 4.700 3.693 3.567 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 24 LEU QD 1 59 LEU QB 3.100 . 5.500 4.867 4.468 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 12 LEU QD 1 24 LEU QD 2.100 . 2.700 2.003 1.803 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 25 GLY HA3 1 48 LEU QD 2.500 . 3.300 1.917 1.691 2.223 0.009 24 0 "[ . 1 . 2 . 3]" 1
1129 1 25 GLY HA3 1 28 LEU QD 3.400 . 4.800 3.880 3.406 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 25 GLY HA3 1 44 THR MG 2.400 . 5.500 4.969 3.358 5.525 0.025 24 0 "[ . 1 . 2 . 3]" 1
1131 1 25 GLY HA3 1 28 LEU HB2 3.200 . 4.500 3.579 3.449 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 25 GLY HA2 1 48 LEU QD 2.400 . 3.100 2.476 2.261 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 25 GLY HA2 1 28 LEU QD 4.200 . 5.500 5.167 4.724 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 25 GLY HA2 1 28 LEU HB2 3.700 . 5.400 5.341 5.212 5.435 0.035 16 0 "[ . 1 . 2 . 3]" 1
1135 1 26 GLU HA 1 50 ILE MG 3.000 . 5.500 4.478 4.331 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 26 GLU HA 1 55 LEU HB2 3.300 . 4.700 3.857 3.663 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 26 GLU HA 1 27 ARG HB3 2.800 . 5.500 5.513 5.263 5.916 0.416 8 0 "[ . 1 . 2 . 3]" 1
1138 1 26 GLU HA 1 26 GLU QG 2.700 . 3.300 2.385 2.197 2.616 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 26 GLU HB3 1 50 ILE MD 2.600 . 5.500 4.932 4.588 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
1140 1 26 GLU HB2 1 50 ILE MD 2.600 . 5.500 4.872 4.517 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 26 GLU HB3 1 50 ILE MG 2.400 . 3.100 2.703 2.517 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 26 GLU HB3 1 55 LEU HG 3.200 . 4.500 4.438 4.237 4.530 0.030 19 0 "[ . 1 . 2 . 3]" 1
1143 1 26 GLU HB3 1 26 GLU QG 2.300 . 3.000 2.170 2.152 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 26 GLU HB2 1 26 GLU QG 2.300 . 3.000 2.343 2.245 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 26 GLU HB3 1 58 MET QG 3.700 . 5.400 5.350 5.051 5.468 0.068 24 0 "[ . 1 . 2 . 3]" 1
1146 1 26 GLU HB2 1 28 LEU HA 3.000 . 5.500 5.365 5.120 5.494 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 26 GLU QG 1 52 ASN HB2 2.700 . 5.500 4.109 3.400 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 24 LEU HA 1 27 ARG HA 2.600 . 5.500 4.485 4.353 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 27 ARG HA 1 27 ARG HB2 2.300 . 3.000 2.474 2.280 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 27 ARG HA 1 27 ARG HB3 2.700 . 3.600 3.024 2.934 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 26 GLU HB3 1 27 ARG HA 3.300 . 4.700 4.554 4.490 4.793 0.093 29 0 "[ . 1 . 2 . 3]" 1
1152 1 24 LEU QD 1 27 ARG HA 3.200 . 4.500 2.267 1.924 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 27 ARG HA 1 59 LEU QD 3.300 . 4.700 4.444 4.066 4.700 0.000 16 0 "[ . 1 . 2 . 3]" 1
1154 1 27 ARG HB3 1 27 ARG QD 3.000 . 3.600 3.238 2.359 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 27 ARG HB3 1 55 LEU QD 3.500 . 3.600 2.889 2.488 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 24 LEU QD 1 27 ARG HB2 3.600 . 5.200 3.325 2.959 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 27 ARG HB2 1 31 LEU QD 2.900 . 4.000 3.820 3.652 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 24 LEU QD 1 27 ARG QG 2.900 . 4.000 3.505 2.537 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 27 ARG QG 1 59 LEU QD 2.800 . 5.500 2.072 1.433 2.845 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 27 ARG QG 1 31 LEU QD 2.600 . 3.400 1.784 1.388 3.297 0.412 22 0 "[ . 1 . 2 . 3]" 1
1161 1 24 LEU HA 1 27 ARG QD 3.700 . 5.400 4.946 4.537 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 27 ARG HA 1 27 ARG QD 2.400 . 3.100 1.995 1.687 2.206 0.013 8 0 "[ . 1 . 2 . 3]" 1
1163 1 27 ARG QD 1 59 LEU QB 3.400 . 4.700 3.616 3.126 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 27 ARG QD 1 27 ARG QG 2.200 . 2.800 2.071 2.040 2.090 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 27 ARG QD 1 55 LEU QD 2.900 . 4.000 2.936 2.363 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 27 ARG QD 1 59 LEU QD 2.500 . 3.300 2.549 2.166 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 28 LEU HB3 1 28 LEU QD 2.400 . 2.500 2.167 1.963 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 28 LEU HB3 1 44 THR MG 2.900 . 4.000 3.703 2.090 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 28 LEU HB3 1 31 LEU QD 2.700 . 5.500 3.831 3.551 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
1170 1 25 GLY HA3 1 28 LEU HB3 3.500 . 5.000 5.100 5.040 5.178 0.178 30 0 "[ . 1 . 2 . 3]" 1
1171 1 28 LEU HA 1 28 LEU HB3 2.600 . 3.400 2.689 2.609 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 28 LEU QD 1 48 LEU QD 3.200 . 3.800 2.379 1.938 2.956 0.062 15 0 "[ . 1 . 2 . 3]" 1
1173 1 28 LEU QD 1 32 ILE MD 2.000 . 2.500 1.881 1.553 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 28 LEU QD 1 43 ILE MG 2.400 . 3.100 3.042 2.634 3.167 0.067 28 0 "[ . 1 . 2 . 3]" 1
1175 1 28 LEU QD 1 69 VAL QG 2.700 . 3.600 2.795 2.607 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 28 LEU QD 1 47 LEU HB2 2.300 . 3.000 1.920 1.619 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 28 LEU QD 1 47 LEU HB3 2.500 . 3.300 2.395 2.080 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 26 GLU HB2 1 28 LEU QD 3.100 . 5.500 2.283 2.047 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 28 LEU HA 1 28 LEU QD 2.700 . 3.600 2.413 1.855 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 29 PHE HA 1 32 ILE MD 2.600 . 3.400 3.137 2.803 3.420 0.020 29 0 "[ . 1 . 2 . 3]" 1
1181 1 29 PHE HA 1 44 THR MG 2.700 . 3.600 3.354 3.085 3.628 0.028 26 0 "[ . 1 . 2 . 3]" 1
1182 1 29 PHE HA 1 40 ALA MB 2.700 . 3.600 3.255 2.913 3.706 0.106 23 0 "[ . 1 . 2 . 3]" 1
1183 1 29 PHE HA 1 32 ILE HB 2.700 . 3.600 3.442 3.258 3.622 0.022 29 0 "[ . 1 . 2 . 3]" 1
1184 1 29 PHE HA 1 33 GLN QB 3.400 . 4.800 4.235 4.109 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 29 PHE HA 1 29 PHE HB2 2.300 . 3.000 2.758 2.707 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 29 PHE HA 1 29 PHE HB3 2.400 . 3.100 2.913 2.876 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 29 PHE HB3 1 44 THR MG 3.300 . 4.700 4.366 4.117 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 29 PHE HB2 1 44 THR MG 3.100 . 4.300 3.225 2.661 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 29 PHE HB3 1 40 ALA MB 2.900 . 5.500 5.052 4.786 5.538 0.038 23 0 "[ . 1 . 2 . 3]" 1
1190 1 8 THR MG 1 29 PHE HB3 3.100 . 4.300 2.078 1.895 2.412 0.005 16 0 "[ . 1 . 2 . 3]" 1
1191 1 8 THR MG 1 29 PHE HB2 3.000 . 5.500 3.571 3.357 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 24 LEU HA 1 29 PHE HB3 2.400 . 3.100 2.699 2.363 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 24 LEU HA 1 29 PHE HB2 2.400 . 5.500 2.473 2.183 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 31 LEU HA 1 31 LEU HB3 2.200 . 2.800 2.241 2.218 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 31 LEU HA 1 31 LEU HG 2.200 . 5.500 3.258 3.202 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 31 LEU HA 1 31 LEU QD 1.800 . 5.500 3.014 2.892 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 31 LEU HA 1 34 ALA MB 2.200 . 5.500 3.525 2.984 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 31 LEU HB2 1 65 LEU QD 2.900 . 3.300 2.430 2.284 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 31 LEU HB2 1 31 LEU QD 2.300 . 3.000 1.994 1.883 2.103 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 31 LEU HB2 1 31 LEU HG 2.400 . 3.100 2.755 2.698 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 31 LEU HA 1 31 LEU HB2 2.400 . 3.100 2.902 2.787 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 31 LEU HB3 1 31 LEU QD 2.900 . 4.000 1.973 1.886 2.084 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 31 LEU QD 1 31 LEU HG 1.900 . 2.400 1.872 1.856 1.889 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 28 LEU HA 1 31 LEU QD 2.900 . 4.000 1.639 1.417 1.893 0.383 19 0 "[ . 1 . 2 . 3]" 1
1205 1 32 ILE HA 1 32 ILE MD 2.100 . 5.500 3.950 3.864 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 32 ILE HA 1 32 ILE MG 2.100 . 2.700 2.045 1.978 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 32 ILE HA 1 69 VAL QG 2.700 . 3.800 2.549 2.410 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 31 LEU HB2 1 32 ILE HA 3.200 . 4.500 3.868 3.821 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 32 ILE HA 1 34 ALA MB 3.700 . 5.400 4.359 4.227 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 32 ILE HA 1 72 ALA MB 3.700 . 5.400 5.354 5.204 5.437 0.037 1 0 "[ . 1 . 2 . 3]" 1
1211 1 32 ILE HA 1 32 ILE HB 2.400 . 3.100 2.938 2.886 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 32 ILE HA 1 35 MET ME 2.500 . 3.300 2.803 2.553 3.301 0.001 28 0 "[ . 1 . 2 . 3]" 1
1213 1 32 ILE HA 1 35 MET HB2 2.600 . 3.400 2.260 2.112 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 32 ILE HA 1 35 MET HG2 3.000 . 4.100 4.078 2.677 4.184 0.084 16 0 "[ . 1 . 2 . 3]" 1
1215 1 32 ILE HA 1 35 MET HG3 2.800 . 3.800 2.579 1.714 2.726 0.086 29 0 "[ . 1 . 2 . 3]" 1
1216 1 31 LEU HA 1 32 ILE HA 3.700 . 5.400 4.678 4.651 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 32 ILE HB 1 43 ILE MD 2.500 . 5.500 3.672 3.349 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 32 ILE HB 1 32 ILE MD 2.200 . 2.800 2.522 2.400 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 32 ILE HB 1 69 VAL QG 3.800 . 4.500 3.696 3.585 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 32 ILE HB 1 72 ALA MB 3.400 . 5.500 5.468 5.358 5.554 0.054 29 0 "[ . 1 . 2 . 3]" 1
1221 1 32 ILE HB 1 33 GLN QB 2.500 . 5.500 4.682 4.489 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 32 ILE HB 1 40 ALA HA 3.400 . 4.800 2.578 2.221 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 32 ILE MD 1 32 ILE MG 2.100 . 2.700 1.697 1.550 1.999 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 32 ILE MG 1 69 VAL QG 2.900 . 3.000 1.976 1.841 2.144 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 32 ILE HB 1 32 ILE MG 2.000 . 2.500 2.117 2.097 2.127 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 32 ILE MG 1 35 MET HB3 2.900 . 4.000 3.491 3.370 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 32 ILE MG 1 40 ALA HA 2.300 . 3.000 2.230 2.004 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 32 ILE MD 1 43 ILE MG 2.000 . 2.500 2.066 1.925 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 32 ILE MD 1 69 VAL QG 2.400 . 2.700 2.384 2.247 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 28 LEU HB2 1 32 ILE MD 2.200 . 5.500 4.065 3.821 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 32 ILE MD 1 47 LEU HB2 2.600 . 5.500 3.869 3.517 4.270 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 32 ILE MD 1 43 ILE HB 1.900 . 2.400 1.702 1.518 2.013 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 32 ILE MD 1 69 VAL HB 3.400 . 5.500 4.960 4.806 5.089 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 32 ILE MD 1 69 VAL HA 3.200 . 4.500 4.314 4.087 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 32 ILE MD 1 44 THR HB 2.400 . 3.100 2.309 2.026 3.117 0.017 29 0 "[ . 1 . 2 . 3]" 1
1236 1 32 ILE MD 1 43 ILE HA 3.700 . 5.400 4.023 3.869 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 32 ILE MD 1 40 ALA HA 3.000 . 4.100 3.014 2.790 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 28 LEU HA 1 32 ILE MD 2.900 . 4.000 3.539 3.358 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 32 ILE MD 1 41 GLY HA2 3.300 . 5.500 5.482 5.095 5.557 0.057 2 0 "[ . 1 . 2 . 3]" 1
1240 1 33 GLN HA 1 33 GLN QG 2.900 . 3.300 2.808 2.491 3.103 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 33 GLN HA 1 40 ALA MB 2.200 . 2.800 2.624 2.550 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 8 THR MG 1 33 GLN HA 2.400 . 5.500 4.164 3.931 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 32 ILE HB 1 33 GLN HA 4.200 . 5.500 4.094 4.064 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 29 PHE HA 1 33 GLN HA 3.700 . 5.400 5.078 4.944 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 33 GLN HA 1 33 GLN HB2 2.300 . 3.000 2.393 2.320 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 29 PHE HA 1 33 GLN HB2 2.200 . 5.500 4.414 4.253 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 33 GLN HB2 1 33 GLN QG 2.500 . 3.300 2.307 2.130 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 33 GLN HB2 1 33 GLN HG2 2.300 . 3.000 2.381 2.135 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 33 GLN HB2 1 40 ALA MB 2.400 . 5.500 3.844 3.686 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 34 ALA HA 1 34 ALA MB 1.700 . 2.200 2.112 2.084 2.133 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 33 GLN QG 1 34 ALA HA 3.200 . 4.100 3.685 3.373 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 35 MET HA 1 35 MET HG3 2.200 . 5.500 3.342 3.234 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 35 MET HA 1 35 MET HG2 2.100 . 2.700 2.714 2.635 2.820 0.120 29 0 "[ . 1 . 2 . 3]" 1
1254 1 32 ILE HA 1 35 MET HA 4.100 . 5.500 4.701 4.619 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 34 ALA MB 1 35 MET HA 2.900 . 5.500 4.003 3.943 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 35 MET HA 1 35 MET HB3 2.000 . 2.500 2.362 2.328 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 35 MET HA 1 35 MET ME 2.900 . 5.500 4.872 4.614 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 35 MET HB2 1 35 MET HG2 2.300 . 3.000 2.992 2.761 3.007 0.007 26 0 "[ . 1 . 2 . 3]" 1
1259 1 35 MET HB2 1 35 MET HG3 2.400 . 3.100 2.423 2.207 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 35 MET HA 1 35 MET HB2 2.400 . 3.100 3.010 2.995 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 35 MET HB3 1 69 VAL QG 3.000 . 4.100 3.893 3.759 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 35 MET HB3 1 35 MET ME 2.900 . 4.000 4.048 3.905 4.076 0.076 23 0 "[ . 1 . 2 . 3]" 1
1263 1 35 MET HB3 1 35 MET HG2 2.300 . 3.000 2.458 2.406 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 35 MET HB3 1 35 MET HG3 2.400 . 3.100 2.994 2.764 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 32 ILE HA 1 35 MET HB3 3.200 . 4.500 3.914 3.801 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 32 ILE MG 1 35 MET HG3 4.200 . 5.500 3.700 2.329 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1267 1 35 MET HG3 1 69 VAL QG 3.700 . 5.400 3.327 1.981 3.620 0.019 29 0 "[ . 1 . 2 . 3]" 1
1268 1 34 ALA MB 1 35 MET HG3 3.100 . 4.300 2.968 2.763 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 35 MET ME 1 73 VAL QG 3.200 . 4.500 3.919 3.642 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 35 MET ME 1 65 LEU QD 2.400 . 3.100 2.729 2.457 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
1271 1 32 ILE MG 1 35 MET ME 2.600 . 3.400 3.443 3.409 3.528 0.128 29 0 "[ . 1 . 2 . 3]" 1
1272 1 31 LEU QD 1 35 MET ME 3.000 . 4.100 3.560 3.081 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 35 MET ME 1 69 VAL QG 2.400 . 3.100 1.842 1.685 1.963 0.015 29 0 "[ . 1 . 2 . 3]" 1
1274 1 31 LEU HB2 1 35 MET ME 2.200 . 5.500 2.744 2.285 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 34 ALA MB 1 35 MET ME 3.300 . 4.700 3.494 3.304 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 35 MET ME 1 66 ARG QG 2.700 . 3.600 1.900 1.789 2.119 0.011 14 0 "[ . 1 . 2 . 3]" 1
1277 1 35 MET ME 1 69 VAL HB 3.100 . 4.300 1.975 1.878 2.126 0.022 28 0 "[ . 1 . 2 . 3]" 1
1278 1 35 MET ME 1 35 MET HG2 2.400 . 3.100 2.875 2.596 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 35 MET ME 1 35 MET HG3 2.300 . 3.000 2.213 2.111 2.359 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 35 MET ME 1 66 ARG QD 2.800 . 3.800 3.222 2.366 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 35 MET ME 1 69 VAL HA 3.600 . 5.200 4.409 4.091 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 31 LEU HA 1 35 MET ME 3.300 . 4.700 3.802 3.421 4.411 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 35 MET ME 1 70 ASP HA 3.200 . 4.500 4.247 3.443 4.535 0.035 8 0 "[ . 1 . 2 . 3]" 1
1284 1 35 MET HB2 1 36 HIS HA 3.200 . 4.500 4.428 4.177 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 36 HIS HA 1 36 HIS HB3 2.500 . 3.300 2.679 2.607 2.763 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 36 HIS HA 1 36 HIS HB2 2.500 . 3.300 2.256 2.233 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 36 HIS HB2 1 40 ALA HA 3.800 . 5.500 5.198 4.828 5.531 0.031 29 0 "[ . 1 . 2 . 3]" 1
1288 1 36 HIS HB2 1 40 ALA MB 4.000 . 5.500 2.525 2.088 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 32 ILE HB 1 36 HIS HB2 3.200 . 5.500 5.559 5.531 5.606 0.106 29 0 "[ . 1 . 2 . 3]" 1
1290 1 32 ILE MG 1 36 HIS HB3 2.700 . 5.500 5.168 5.006 5.305 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 36 HIS HB3 1 40 ALA MB 3.400 . 4.800 3.125 2.884 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 34 ALA MB 1 36 HIS HB3 3.200 . 5.500 5.326 5.235 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 32 ILE HB 1 36 HIS HB3 3.100 . 5.500 5.478 5.161 5.542 0.042 5 0 "[ . 1 . 2 . 3]" 1
1294 1 38 THR HB 1 38 THR MG 1.900 . 2.400 2.104 2.070 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 38 THR HA 1 38 THR MG 2.100 . 2.700 2.348 2.177 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 38 THR MG 1 39 LEU HB2 2.700 . 3.600 2.947 2.462 3.616 0.016 21 0 "[ . 1 . 2 . 3]" 1
1297 1 38 THR MG 1 73 VAL QG 3.000 . 5.500 2.373 1.445 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 38 THR MG 1 76 LEU QD 2.900 . 4.000 2.569 1.843 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 40 ALA MB 1 41 GLY HA2 3.200 . 4.500 3.810 3.680 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 38 THR HB 1 40 ALA MB 2.500 . 5.500 4.977 4.533 5.199 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 40 ALA HA 1 40 ALA MB 2.000 . 2.500 2.117 2.086 2.139 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 40 ALA MB 1 43 ILE MD 3.000 . 4.100 3.479 3.131 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 32 ILE MD 1 40 ALA MB 2.800 . 3.800 3.424 3.224 3.808 0.008 13 0 "[ . 1 . 2 . 3]" 1
1304 1 32 ILE MG 1 40 ALA MB 2.200 . 2.800 2.453 2.139 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
1305 1 8 THR MG 1 40 ALA MB 2.100 . 5.500 4.333 4.076 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
1306 1 32 ILE HB 1 40 ALA MB 2.400 . 3.100 1.908 1.698 2.395 0.002 24 0 "[ . 1 . 2 . 3]" 1
1307 1 33 GLN QB 1 40 ALA MB 2.700 . 3.600 3.679 3.549 3.721 0.121 21 0 "[ . 1 . 2 . 3]" 1
1308 1 35 MET HB2 1 40 ALA MB 2.500 . 5.500 4.109 3.970 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 41 GLY QA 1 42 LYS QD 3.700 . 5.400 5.098 4.885 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 41 GLY HA2 1 44 THR MG 3.800 . 5.500 2.952 2.553 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 42 LYS HB2 1 42 LYS QG 2.600 . 3.400 2.210 2.134 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 42 LYS HB3 1 42 LYS QG 2.500 . 3.300 2.149 2.131 2.162 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 42 LYS HE3 1 42 LYS QG 2.900 . 4.000 2.969 1.965 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 42 LYS HE2 1 42 LYS QG 3.100 . 4.300 2.565 2.062 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 42 LYS QG 2 12 GLU QG 3.400 . 4.800 4.125 3.541 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 42 LYS QD 1 42 LYS QG 2.300 . 3.000 2.062 2.023 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 42 LYS QG 1 76 LEU QD 2.600 . 5.500 2.824 2.150 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 42 LYS HA 1 42 LYS QD 2.500 . 3.300 1.694 1.642 1.763 0.058 17 0 "[ . 1 . 2 . 3]" 1
1319 1 42 LYS QD 1 42 LYS HE2 2.500 . 3.300 2.336 2.136 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 42 LYS QD 2 12 GLU QG 3.000 . 3.600 2.622 1.769 3.273 0.031 28 0 "[ . 1 . 2 . 3]" 1
1321 1 42 LYS QD 1 76 LEU QD 2.900 . 5.500 4.250 3.577 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 43 ILE HA 1 46 MET QG 3.400 . 4.800 2.457 1.755 2.853 0.245 4 0 "[ . 1 . 2 . 3]" 1
1323 1 42 LYS HB3 1 43 ILE HA 3.000 . 5.500 4.114 3.874 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 43 ILE HA 1 46 MET ME 3.000 . 4.100 3.504 1.874 4.109 0.026 21 0 "[ . 1 . 2 . 3]" 1
1325 1 43 ILE HA 1 43 ILE MD 2.700 . 5.500 3.835 3.674 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 43 ILE HA 1 47 LEU QD 3.000 . 4.100 3.041 2.752 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 43 ILE HA 1 43 ILE MG 2.200 . 2.800 2.284 2.143 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 43 ILE HA 1 75 VAL QG 3.500 . 3.600 3.092 2.770 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 42 LYS QG 1 43 ILE HA 3.100 . 5.500 4.153 3.724 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 43 ILE HA 1 72 ALA MB 2.800 . 5.500 4.296 4.082 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 43 ILE HA 1 43 ILE HB 2.900 . 4.000 3.004 2.978 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 40 ALA HA 1 43 ILE HB 2.600 . 3.400 2.798 2.547 3.442 0.042 26 0 "[ . 1 . 2 . 3]" 1
1333 1 43 ILE HB 1 72 ALA MB 3.000 . 4.100 3.927 3.701 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 43 ILE HB 1 43 ILE MD 2.300 . 3.000 2.444 2.273 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 43 ILE HB 1 47 LEU QD 3.900 . 5.500 4.162 3.715 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 32 ILE MG 1 43 ILE HB 2.200 . 2.800 2.448 2.303 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 43 ILE MG 1 69 VAL HA 2.300 . 5.500 3.995 3.707 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 32 ILE HA 1 43 ILE MG 3.600 . 5.500 5.168 5.020 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 43 ILE MD 1 43 ILE MG 1.900 . 2.400 1.923 1.642 2.171 . 0 0 "[ . 1 . 2 . 3]" 1
1340 1 43 ILE MG 1 47 LEU QD 1.900 . 5.500 2.121 1.654 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 43 ILE MG 1 75 VAL QG 2.000 . 2.500 2.457 2.393 2.528 0.028 4 0 "[ . 1 . 2 . 3]" 1
1342 1 43 ILE MG 1 69 VAL QG 2.100 . 3.000 2.854 2.671 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 43 ILE HB 1 43 ILE MG 1.900 . 2.400 2.124 2.104 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 43 ILE MG 1 46 MET ME 2.400 . 5.500 4.163 1.823 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 43 ILE MG 1 75 VAL HB 3.700 . 5.400 5.049 2.582 5.235 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 43 ILE MD 1 69 VAL HA 3.300 . 5.500 5.336 4.242 5.539 0.039 29 0 "[ . 1 . 2 . 3]" 1
1347 1 40 ALA HA 1 43 ILE MD 2.500 . 3.300 2.338 1.855 2.769 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 39 LEU HB3 1 43 ILE MD 2.500 . 5.500 3.684 3.273 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 43 ILE MD 1 72 ALA MB 2.500 . 3.300 3.114 1.872 3.328 0.028 4 0 "[ . 1 . 2 . 3]" 1
1350 1 35 MET HB3 1 43 ILE MD 3.000 . 5.500 4.757 4.545 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 43 ILE MD 1 76 LEU QB 3.300 . 4.700 2.957 2.384 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 43 ILE MD 1 73 VAL HB 2.700 . 5.500 3.487 2.691 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
1353 1 43 ILE MD 1 75 VAL QG 3.100 . 5.500 3.772 2.980 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
1354 1 43 ILE MD 1 69 VAL QG 2.700 . 5.500 3.277 2.663 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
1355 1 32 ILE MG 1 43 ILE MD 1.900 . 2.400 1.696 1.597 1.850 . 0 0 "[ . 1 . 2 . 3]" 1
1356 1 32 ILE MD 1 43 ILE MD 2.100 . 2.700 2.721 2.606 2.751 0.051 19 0 "[ . 1 . 2 . 3]" 1
1357 1 28 LEU QD 1 44 THR HB 2.800 . 3.800 3.414 3.089 3.896 0.096 29 0 "[ . 1 . 2 . 3]" 1
1358 1 44 THR HB 1 44 THR MG 2.300 . 3.000 2.109 2.085 2.116 . 0 0 "[ . 1 . 2 . 3]" 1
1359 1 43 ILE MG 1 44 THR HB 3.500 . 5.000 4.796 4.362 5.027 0.027 3 0 "[ . 1 . 2 . 3]" 1
1360 1 28 LEU HB2 1 44 THR HB 3.100 . 4.300 3.616 3.463 4.415 0.115 29 0 "[ . 1 . 2 . 3]" 1
1361 1 27 ARG QD 1 31 LEU QD 3.100 . 4.300 3.138 1.877 3.656 0.023 30 0 "[ . 1 . 2 . 3]" 1
1362 1 44 THR MG 2 13 PHE HB2 3.100 . 5.500 3.089 2.849 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
1363 1 44 THR MG 1 48 LEU QD 2.600 . 3.000 2.727 1.842 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1364 1 45 GLY QA 2 13 PHE HB2 3.700 . 5.000 1.689 1.429 2.204 0.571 22 5 "[ . 1 *-*. * 2 + . 3]" 1
1365 1 42 LYS HE3 1 45 GLY QA 4.300 . 5.400 3.920 2.966 5.201 . 0 0 "[ . 1 . 2 . 3]" 1
1366 1 45 GLY QA 1 48 LEU QD 2.900 . 4.000 2.413 2.023 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
1367 1 44 THR MG 1 45 GLY QA 2.800 . 3.800 2.896 2.803 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1368 1 42 LYS QD 1 45 GLY QA 4.300 . 5.000 3.064 2.715 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
1369 1 45 GLY QA 1 48 LEU HB2 3.700 . 5.400 2.520 2.098 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
1370 1 45 GLY QA 1 48 LEU HB3 3.200 . 4.500 3.848 3.382 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
1371 1 45 GLY QA 1 46 MET HA 3.200 . 5.500 3.977 3.954 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1372 1 45 GLY QA 2 12 GLU HA 3.200 . 3.800 2.824 2.383 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
1373 1 46 MET QB 1 46 MET ME 2.600 . 4.000 2.694 1.956 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
1374 1 46 MET QB 1 47 LEU QD 2.900 . 3.400 2.273 1.781 2.889 0.019 4 0 "[ . 1 . 2 . 3]" 1
1375 1 46 MET QB 1 75 VAL QG 2.900 . 5.500 3.272 2.039 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
1376 1 46 MET QB 2 4 SER QB 3.800 . 5.500 3.953 3.583 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1377 1 46 MET HA 1 46 MET QG 2.500 . 4.000 3.168 2.937 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
1378 1 46 MET QG 1 47 LEU QD 3.000 . 4.000 2.302 1.830 3.179 0.070 7 0 "[ . 1 . 2 . 3]" 1
1379 1 46 MET QG 1 47 LEU HB2 2.600 . 5.500 4.396 3.784 5.065 . 0 0 "[ . 1 . 2 . 3]" 1
1380 1 42 LYS QG 1 46 MET QG 2.800 . 4.000 3.496 2.787 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1381 1 46 MET QG 1 75 VAL QG 2.900 . 4.000 2.481 2.079 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
1382 1 43 ILE MG 1 46 MET QG 3.700 . 5.400 3.463 2.981 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1383 1 46 MET HA 1 46 MET ME 2.900 . 5.500 4.627 4.025 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
1384 1 46 MET ME 1 76 LEU HA 3.300 . 4.600 3.166 1.987 4.676 0.076 21 0 "[ . 1 . 2 . 3]" 1
1385 1 24 LEU HB2 1 27 ARG HA 3.000 . 4.100 2.477 1.974 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1386 1 46 MET ME 1 75 VAL HB 2.700 . 3.600 3.195 2.752 3.664 0.064 21 0 "[ . 1 . 2 . 3]" 1
1387 1 46 MET ME 1 46 MET QG 2.600 . 3.400 2.217 1.944 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
1388 1 46 MET ME 1 76 LEU QD 2.600 . 5.500 3.039 1.761 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1389 1 46 MET ME 1 75 VAL QG 2.400 . 2.500 1.753 1.554 2.050 . 0 0 "[ . 1 . 2 . 3]" 1
1390 1 46 MET ME 1 76 LEU QB 2.400 . 5.500 4.178 2.606 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
1391 1 42 LYS QD 1 46 MET ME 2.400 . 5.500 2.890 1.468 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
1392 1 47 LEU HA 1 47 LEU HB3 2.500 . 3.300 2.514 2.424 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
1393 1 61 SER QB 1 65 LEU HB2 3.000 . 4.100 3.479 3.105 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
1394 1 47 LEU HA 1 47 LEU HB2 2.400 . 3.100 3.013 2.980 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
1395 1 46 MET QB 1 47 LEU HB2 3.600 . 5.200 4.579 3.665 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
1396 1 47 LEU HB2 1 47 LEU QD . . 2.400 2.150 1.945 2.323 . 0 0 "[ . 1 . 2 . 3]" 1
1397 1 43 ILE MG 1 47 LEU HB2 2.700 . 3.600 3.436 2.851 3.650 0.050 18 0 "[ . 1 . 2 . 3]" 1
1398 1 47 LEU HB3 1 47 LEU QD 1.900 . 5.500 2.311 1.898 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
1399 1 48 LEU HA 1 48 LEU HB2 2.500 . 3.300 2.736 2.695 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1400 1 48 LEU HB2 1 48 LEU QD 2.400 . 3.100 2.179 2.100 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
1401 1 44 THR MG 1 48 LEU HB2 3.200 . 4.500 4.503 3.745 4.573 0.073 21 0 "[ . 1 . 2 . 3]" 1
1402 1 38 THR HB 1 73 VAL QG 2.500 . 3.300 2.943 2.411 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
1403 1 35 MET HA 1 73 VAL QG 3.100 . 4.300 4.223 4.072 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
1404 1 48 LEU HA 1 48 LEU QD 2.700 . 3.600 1.973 1.838 2.750 . 0 0 "[ . 1 . 2 . 3]" 1
1405 1 35 MET HG2 1 73 VAL QG 3.000 . 4.100 4.080 4.044 4.123 0.023 28 0 "[ . 1 . 2 . 3]" 1
1406 1 73 VAL HA 1 73 VAL QG 2.100 . 2.700 2.296 2.079 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
1407 1 69 VAL HA 1 73 VAL QG 3.300 . 4.700 4.402 4.176 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
1408 1 72 ALA MB 1 73 VAL QG 2.500 . 5.500 3.112 2.860 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
1409 1 35 MET HB3 1 73 VAL QG 2.000 . 2.500 2.409 2.330 2.509 0.009 4 0 "[ . 1 . 2 . 3]" 1
1410 1 73 VAL HB 1 73 VAL QG 2.000 . 2.500 1.882 1.871 1.894 . 0 0 "[ . 1 . 2 . 3]" 1
1411 1 48 LEU MD1 1 48 LEU MD2 1.900 . 2.400 2.075 1.970 2.088 . 0 0 "[ . 1 . 2 . 3]" 1
1412 1 32 ILE MG 1 73 VAL QG 2.200 . 2.800 2.428 2.047 2.803 0.003 22 0 "[ . 1 . 2 . 3]" 1
1413 1 48 LEU QD 2 13 PHE HA 3.000 . 4.100 3.508 2.881 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
1414 1 48 LEU QD 2 13 PHE HB2 2.800 . 3.800 2.887 2.685 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
1415 1 48 LEU HB3 1 48 LEU QD 2.700 . 3.600 2.413 1.923 2.514 . 0 0 "[ . 1 . 2 . 3]" 1
1416 1 49 GLU HA 1 49 GLU HG2 2.700 . 3.600 2.526 2.298 3.740 0.140 21 0 "[ . 1 . 2 . 3]" 1
1417 1 49 GLU HA 1 49 GLU HG3 2.300 . 5.500 3.619 2.461 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
1418 1 46 MET HA 1 49 GLU HG3 3.300 . 4.600 4.680 4.483 5.512 0.912 23 2 "[ . 1 . 2- + . 3]" 1
1419 1 49 GLU HG3 2 11 LYS HG3 2.900 . 4.000 3.101 2.224 4.586 0.586 21 1 "[ . 1 . 2+ . 3]" 1
1420 1 49 GLU HB2 1 49 GLU HG3 2.200 . 2.800 2.252 2.206 3.012 0.212 23 0 "[ . 1 . 2 . 3]" 1
1421 1 46 MET HA 1 49 GLU HG2 3.800 . 5.500 5.353 4.556 5.524 0.024 12 0 "[ . 1 . 2 . 3]" 1
1422 1 49 GLU HG2 2 11 LYS HG3 3.400 . 4.800 3.665 3.196 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
1423 1 48 LEU HB2 1 49 GLU HG2 3.700 . 5.400 4.965 4.547 6.153 0.753 23 1 "[ . 1 . 2 + . 3]" 1
1424 1 50 ILE HA 1 50 ILE HG13 2.300 . 3.000 2.170 2.090 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
1425 1 50 ILE HA 1 50 ILE HG12 2.300 . 3.000 2.776 2.604 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
1426 1 50 ILE HA 1 50 ILE MD 2.500 . 5.500 3.634 3.570 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
1427 1 50 ILE HA 1 50 ILE MG 2.100 . 5.500 3.101 3.032 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
1428 1 28 LEU QD 1 50 ILE HB 3.400 . 4.800 2.665 2.430 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
1429 1 50 ILE HB 1 50 ILE HG13 2.600 . 3.400 2.549 2.464 2.604 . 0 0 "[ . 1 . 2 . 3]" 1
1430 1 50 ILE HB 1 50 ILE HG12 2.300 . 3.000 3.012 3.001 3.024 0.024 21 0 "[ . 1 . 2 . 3]" 1
1431 1 50 ILE MG 1 55 LEU HA 3.500 . 5.000 3.561 3.278 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
1432 1 50 ILE MG 1 68 LYS QE 3.800 . 5.500 4.245 3.817 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
1433 1 50 ILE MG 1 51 ASP HB2 3.100 . 4.300 3.730 3.498 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1434 1 26 GLU QG 1 50 ILE MG 3.200 . 5.500 1.858 1.477 3.289 . 0 0 "[ . 1 . 2 . 3]" 1
1435 1 50 ILE MG 1 58 MET HB2 2.700 . 5.500 5.443 5.139 5.567 0.067 21 0 "[ . 1 . 2 . 3]" 1
1436 1 50 ILE HB 1 50 ILE MG 1.900 . 2.400 2.118 2.098 2.124 . 0 0 "[ . 1 . 2 . 3]" 1
1437 1 26 GLU HB2 1 50 ILE MG 2.200 . 2.800 2.422 2.169 2.775 . 0 0 "[ . 1 . 2 . 3]" 1
1438 1 50 ILE HG12 1 50 ILE MG 2.100 . 2.700 2.270 2.145 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
1439 1 50 ILE HG13 1 50 ILE MG 2.100 . 5.500 3.189 3.163 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
1440 1 47 LEU HB2 1 50 ILE MG 3.100 . 5.500 5.488 5.250 5.546 0.046 18 0 "[ . 1 . 2 . 3]" 1
1441 1 50 ILE MD 1 50 ILE MG 1.800 . 2.200 2.147 1.931 2.218 0.018 18 0 "[ . 1 . 2 . 3]" 1
1442 1 28 LEU QD 1 50 ILE MG 2.300 . 3.000 2.322 1.983 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
1443 1 47 LEU HA 1 50 ILE MD 2.400 . 5.500 4.611 4.211 5.106 . 0 0 "[ . 1 . 2 . 3]" 1
1444 1 50 ILE MD 1 55 LEU HA 3.200 . 4.500 4.484 4.335 4.531 0.031 13 0 "[ . 1 . 2 . 3]" 1
1445 1 50 ILE MD 1 58 MET ME 2.200 . 5.500 4.217 3.696 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
1446 1 50 ILE HB 1 50 ILE MD 2.100 . 2.700 2.281 2.189 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
1447 1 50 ILE MD 1 58 MET QB 2.900 . 5.500 4.880 4.648 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
1448 1 50 ILE MD 1 68 LYS QE 2.700 . 3.300 2.009 1.676 2.469 0.124 24 0 "[ . 1 . 2 . 3]" 1
1449 1 28 LEU QD 1 50 ILE MD 2.200 . 2.800 2.682 2.512 2.803 0.003 23 0 "[ . 1 . 2 . 3]" 1
1450 1 47 LEU HB2 1 50 ILE MD 3.200 . 4.500 4.363 3.870 4.528 0.028 7 0 "[ . 1 . 2 . 3]" 1
1451 1 50 ILE MD 1 50 ILE HG13 2.000 . 2.500 2.094 2.074 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
1452 1 50 ILE MD 1 50 ILE HG12 2.000 . 2.500 2.093 2.073 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
1453 1 50 ILE MD 1 68 LYS HD3 2.900 . 4.000 3.539 2.120 4.560 0.560 19 4 "[ - . * 1 . +2* . 3]" 1
1454 1 50 ILE MD 1 68 LYS QB 3.300 . 5.500 4.103 3.423 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
1455 1 50 ILE HA 1 51 ASP HA 3.200 . 4.500 4.304 4.290 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
1456 1 50 ILE MG 1 51 ASP HA 4.200 . 5.500 3.809 3.688 3.897 . 0 0 "[ . 1 . 2 . 3]" 1
1457 1 51 ASP HA 1 51 ASP HB3 2.100 . 2.700 2.610 2.588 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
1458 1 51 ASP HB3 1 55 LEU HB3 3.100 . 5.500 5.537 5.516 5.562 0.062 26 0 "[ . 1 . 2 . 3]" 1
1459 1 51 ASP HB2 1 55 LEU HB3 3.700 . 5.500 5.535 5.510 5.559 0.059 12 0 "[ . 1 . 2 . 3]" 1
1460 1 50 ILE MG 1 51 ASP HB3 3.600 . 5.200 4.539 4.362 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
1461 1 26 GLU QG 1 52 ASN HA 2.300 . 3.000 2.024 1.831 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1462 1 52 ASN HA 1 55 LEU HB3 2.200 . 2.800 2.488 2.301 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
1463 1 52 ASN HA 1 55 LEU QD 2.100 . 2.700 1.806 1.551 1.969 0.449 8 0 "[ . 1 . 2 . 3]" 1
1464 1 52 ASN HA 1 55 LEU HB2 2.900 . 4.000 4.017 3.827 4.048 0.048 27 0 "[ . 1 . 2 . 3]" 1
1465 1 52 ASN HA 1 55 LEU HG 2.700 . 3.600 3.295 3.143 3.450 . 0 0 "[ . 1 . 2 . 3]" 1
1466 1 52 ASN HA 1 52 ASN HB3 2.300 . 3.000 2.717 2.634 3.007 0.007 29 0 "[ . 1 . 2 . 3]" 1
1467 1 52 ASN HB3 1 55 LEU HB3 4.300 . 5.500 4.947 4.635 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
1468 1 52 ASN HB3 1 55 LEU QD 2.500 . 5.500 2.727 2.348 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
1469 1 52 ASN HA 1 52 ASN HB2 2.300 . 3.000 2.938 2.603 2.997 . 0 0 "[ . 1 . 2 . 3]" 1
1470 1 52 ASN HB2 2 18 LYS QB 3.300 . 5.500 5.291 4.290 5.534 0.034 4 0 "[ . 1 . 2 . 3]" 1
1471 1 52 ASN HB2 1 55 LEU QD 2.900 . 4.000 3.691 3.418 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
1472 1 55 LEU HB2 1 55 LEU HG 2.800 . 3.800 2.996 2.990 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
1473 1 55 LEU HB2 1 55 LEU QD 2.500 . 2.800 2.126 2.056 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
1474 1 55 LEU HA 1 55 LEU HB2 2.700 . 3.600 2.286 2.269 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
1475 1 55 LEU QD 1 56 LEU HA 2.700 . 3.600 2.477 2.357 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
1476 1 55 LEU HA 1 55 LEU QD 2.000 . 5.500 3.182 3.124 3.231 . 0 0 "[ . 1 . 2 . 3]" 1
1477 1 55 LEU QD 1 58 MET HB2 2.700 . 5.500 4.144 3.906 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
1478 1 26 GLU HB3 1 55 LEU QD 2.300 . 5.500 2.593 2.335 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
1479 1 24 LEU HB2 1 55 LEU QD 3.000 . 5.500 4.946 4.453 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
1480 1 27 ARG QG 1 55 LEU QD 3.000 . 4.100 2.683 1.909 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
1481 1 55 LEU QD 1 55 LEU HG 2.000 . 2.500 1.869 1.855 1.879 . 0 0 "[ . 1 . 2 . 3]" 1
1482 1 55 LEU MD1 1 55 LEU MD2 1.900 . 2.400 1.970 1.858 2.041 . 0 0 "[ . 1 . 2 . 3]" 1
1483 1 50 ILE MG 1 55 LEU QD 2.300 . 5.500 3.827 3.707 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
1484 1 56 LEU QB 1 56 LEU MD2 2.600 . 3.400 2.173 1.880 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
1485 1 55 LEU QD 1 56 LEU QB 2.400 . 3.100 2.939 2.775 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
1486 1 56 LEU HA 1 56 LEU QB 2.400 . 3.100 2.363 2.149 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
1487 1 56 LEU HA 1 56 LEU MD1 2.300 . 5.500 2.898 1.902 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
1488 1 57 HIS HA 1 60 GLU QB 2.500 . 3.300 2.907 2.096 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
1489 1 57 HIS HA 1 57 HIS HB2 2.300 . 3.000 2.810 2.482 3.009 0.009 21 0 "[ . 1 . 2 . 3]" 1
1490 1 57 HIS HA 1 57 HIS HB3 2.500 . 3.300 2.846 2.582 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
1491 1 58 MET HA 1 65 LEU HA 2.800 . 3.800 3.616 3.183 3.807 0.007 23 0 "[ . 1 . 2 . 3]" 1
1492 1 58 MET HA 1 61 SER QB 2.500 . 3.300 2.843 2.421 3.166 . 0 0 "[ . 1 . 2 . 3]" 1
1493 1 58 MET HA 1 65 LEU QD 2.800 . 3.800 3.504 3.205 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
1494 1 58 MET HA 1 65 LEU HB2 2.700 . 3.600 1.988 1.777 2.539 0.023 24 0 "[ . 1 . 2 . 3]" 1
1495 1 58 MET HA 1 58 MET HB3 2.700 . 3.600 2.539 2.485 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
1496 1 58 MET HA 1 58 MET QG 2.300 . 3.000 2.864 2.579 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
1497 1 58 MET QB 1 59 LEU HA 2.700 . 5.500 3.852 3.776 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
1498 1 31 LEU HG 1 58 MET QB 2.100 . 5.500 4.831 4.490 5.125 . 0 0 "[ . 1 . 2 . 3]" 1
1499 1 58 MET HB2 1 58 MET QG 2.000 . 2.500 2.142 2.131 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
1500 1 58 MET HB3 1 65 LEU QD . . 2.800 2.115 1.810 2.359 0.090 8 0 "[ . 1 . 2 . 3]" 1
1501 1 58 MET HA 1 58 MET ME 2.700 . 3.600 2.357 1.938 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
1502 1 58 MET ME 1 64 SER HB3 2.500 . 3.300 2.904 1.947 3.307 0.007 12 0 "[ . 1 . 2 . 3]" 1
1503 1 58 MET ME 1 67 SER QB 2.800 . 5.500 5.061 4.480 5.520 0.020 8 0 "[ . 1 . 2 . 3]" 1
1504 1 58 MET ME 1 65 LEU HA 2.000 . 5.500 2.086 1.580 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
1505 1 58 MET ME 1 64 SER HA 3.200 . 5.500 4.380 3.786 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
1506 1 58 MET ME 1 58 MET HG2 2.700 . 3.600 2.799 1.989 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
1507 1 58 MET ME 1 68 LYS QE 2.700 . 3.600 2.246 1.785 2.890 0.015 13 0 "[ . 1 . 2 . 3]" 1
1508 1 59 LEU HA 1 59 LEU HG 2.900 . 4.000 3.260 2.222 4.231 0.231 14 0 "[ . 1 . 2 . 3]" 1
1509 1 59 LEU HA 1 59 LEU QB 2.200 . 2.800 2.335 2.126 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
1510 1 31 LEU QD 1 59 LEU HA 2.900 . 5.500 3.108 2.792 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
1511 1 59 LEU HA 1 65 LEU QD 2.900 . 4.000 3.333 2.387 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
1512 1 59 LEU HA 1 59 LEU QD 2.700 . 3.600 2.731 1.730 3.381 0.070 8 0 "[ . 1 . 2 . 3]" 1
1513 1 59 LEU QB 1 59 LEU QD . . 2.800 1.898 1.722 2.093 0.078 5 0 "[ . 1 . 2 . 3]" 1
1514 1 59 LEU QD 1 59 LEU HG 2.100 . 2.500 1.876 1.854 1.892 . 0 0 "[ . 1 . 2 . 3]" 1
1515 1 24 LEU QD 1 59 LEU QD 2.900 . 4.000 3.671 3.325 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
1516 1 59 LEU MD1 1 59 LEU MD2 2.000 . 2.500 2.027 1.873 2.087 . 0 0 "[ . 1 . 2 . 3]" 1
1517 1 59 LEU HA 1 60 GLU HA 3.200 . 4.500 4.561 4.522 4.594 0.094 29 0 "[ . 1 . 2 . 3]" 1
1518 1 59 LEU QB 1 60 GLU HA 3.400 . 4.800 4.328 3.970 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
1519 1 60 GLU HA 1 60 GLU QB 1.900 . 2.400 2.235 2.162 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
1520 1 60 GLU HA 1 60 GLU HG2 2.100 . 5.500 3.472 2.548 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
1521 1 57 HIS HA 1 60 GLU QG 2.500 . 3.300 2.578 1.697 3.334 0.034 23 0 "[ . 1 . 2 . 3]" 1
1522 1 61 SER HA 1 61 SER QB 2.200 . 2.800 2.476 2.417 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
1523 1 61 SER HA 1 64 SER HB2 2.000 . 5.500 4.445 4.165 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
1524 1 61 SER HA 1 65 LEU HB3 3.500 . 5.000 5.036 4.928 5.249 0.249 20 0 "[ . 1 . 2 . 3]" 1
1525 1 61 SER HA 1 63 GLU QB 3.000 . 5.500 4.781 4.553 4.903 . 0 0 "[ . 1 . 2 . 3]" 1
1526 1 60 GLU QB 1 61 SER HA 2.900 . 5.500 4.568 4.193 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
1527 1 61 SER QB 1 64 SER HB2 2.100 . 2.700 1.946 1.682 3.268 0.568 22 1 "[ . 1 . 2 + . 3]" 1
1528 1 63 GLU HA 1 63 GLU HG3 2.900 . 4.000 3.495 2.636 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
1529 1 63 GLU HA 1 63 GLU QB 1.900 . 2.700 2.285 2.144 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
1530 1 63 GLU HA 1 66 ARG QD 3.300 . 5.500 5.100 4.610 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
1531 1 63 GLU HA 1 64 SER HA 3.300 . 4.700 4.721 4.702 4.732 0.032 23 0 "[ . 1 . 2 . 3]" 1
1532 1 64 SER HA 1 64 SER HB3 2.400 . 3.100 2.522 2.356 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
1533 1 58 MET QG 1 64 SER HB2 3.400 . 5.500 5.476 5.039 5.898 0.398 29 0 "[ . 1 . 2 . 3]" 1
1534 1 65 LEU HA 1 65 LEU HB3 2.600 . 3.400 2.969 2.908 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1535 1 65 LEU HB3 1 65 LEU QD 2.400 . 3.100 2.120 1.932 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
1536 1 65 LEU HB3 1 65 LEU HG 2.500 . 3.300 2.592 2.512 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
1537 1 65 LEU QD 1 65 LEU HG 2.200 . 2.700 1.867 1.842 1.890 . 0 0 "[ . 1 . 2 . 3]" 1
1538 1 65 LEU HG 1 69 VAL QG 2.600 . 5.500 3.905 3.520 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
1539 1 31 LEU QD 1 65 LEU HG 4.000 . 5.500 2.425 1.651 3.513 0.349 16 0 "[ . 1 . 2 . 3]" 1
1540 1 65 LEU HB2 1 65 LEU HG 2.700 . 3.600 2.538 2.249 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1541 1 65 LEU QD 1 69 VAL HA 3.600 . 5.200 4.342 4.091 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
1542 1 61 SER QB 1 65 LEU QD 3.400 . 5.500 4.382 4.146 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
1543 1 32 ILE HA 1 65 LEU QD 3.900 . 5.500 5.049 4.853 5.210 . 0 0 "[ . 1 . 2 . 3]" 1
1544 1 28 LEU HA 1 65 LEU QD 2.000 . 5.500 4.290 4.101 4.545 . 0 0 "[ . 1 . 2 . 3]" 1
1545 1 65 LEU HA 1 65 LEU QD 2.100 . 2.700 2.298 1.947 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
1546 1 58 MET HG3 1 65 LEU QD 3.000 . 4.100 2.731 2.011 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
1547 1 65 LEU QD 1 69 VAL HB 2.900 . 4.000 2.837 2.599 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
1548 1 31 LEU HB3 1 65 LEU QD 2.000 . 2.500 1.793 1.464 2.085 0.036 10 0 "[ . 1 . 2 . 3]" 1
1549 1 31 LEU HG 1 65 LEU QD 2.100 . 5.500 3.453 3.256 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
1550 1 65 LEU HB2 1 65 LEU QD 2.700 . 3.600 2.388 2.034 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
1551 1 65 LEU QD 1 68 LYS HD2 1.800 . 5.500 4.861 2.900 5.890 0.390 5 0 "[ . 1 . 2 . 3]" 1
1552 1 65 LEU QD 1 69 VAL QG 2.500 . 2.500 1.789 1.625 1.979 . 0 0 "[ . 1 . 2 . 3]" 1
1553 1 31 LEU QD 1 65 LEU QD 2.000 . 2.500 1.540 1.429 1.690 0.071 23 0 "[ . 1 . 2 . 3]" 1
1554 1 66 ARG HA 1 66 ARG QD 2.500 . 5.500 3.688 3.138 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1555 1 65 LEU QD 1 66 ARG HA 3.100 . 4.300 2.640 2.123 3.297 . 0 0 "[ . 1 . 2 . 3]" 1
1556 1 66 ARG HA 1 69 VAL QG 2.500 . 5.500 3.564 3.474 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1557 1 65 LEU HG 1 66 ARG HA 3.500 . 5.000 4.182 2.621 5.132 0.132 20 0 "[ . 1 . 2 . 3]" 1
1558 1 66 ARG HA 1 66 ARG QG 2.200 . 2.800 2.110 2.033 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
1559 1 66 ARG HA 1 66 ARG HB2 2.700 . 3.600 2.656 2.552 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
1560 1 35 MET ME 1 66 ARG HA 2.300 . 3.000 1.871 1.672 2.081 . 0 0 "[ . 1 . 2 . 3]" 1
1561 1 66 ARG QB 1 66 ARG QD 2.300 . 3.000 2.079 1.910 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
1562 1 63 GLU HA 1 66 ARG HB3 1.900 . 5.500 3.971 3.657 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
1563 1 65 LEU QD 1 66 ARG HB2 3.300 . 4.700 3.129 2.639 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
1564 1 66 ARG QB 1 69 VAL QG 3.400 . 5.500 4.918 4.843 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
1565 1 66 ARG QD 1 66 ARG QG 2.000 . 2.500 2.035 1.985 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
1566 1 66 ARG QG 1 67 SER HA 3.000 . 5.500 4.849 4.175 5.243 . 0 0 "[ . 1 . 2 . 3]" 1
1567 1 68 LYS QB 1 68 LYS HD3 2.300 . 5.500 2.734 1.965 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
1568 1 68 LYS QB 1 68 LYS HD2 2.200 . 5.500 2.704 1.974 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
1569 1 65 LEU QD 1 68 LYS QB 2.500 . 3.300 2.877 2.579 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
1570 1 68 LYS QB 2 6 LEU QD 2.900 . 4.000 2.796 1.874 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
1571 1 68 LYS QB 1 69 VAL QG 3.600 . 5.200 2.984 2.804 3.256 . 0 0 "[ . 1 . 2 . 3]" 1
1572 1 38 THR MG 1 73 VAL HB 2.900 . 4.000 3.053 2.024 4.077 0.077 21 0 "[ . 1 . 2 . 3]" 1
1573 1 65 LEU HG 1 68 LYS QB 3.100 . 5.500 5.138 4.828 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
1574 1 68 LYS QB 1 68 LYS QE 3.100 . 3.800 2.320 1.841 2.753 0.059 16 0 "[ . 1 . 2 . 3]" 1
1575 1 68 LYS QB 1 69 VAL HA 3.300 . 4.700 3.845 3.611 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
1576 1 65 LEU HA 1 68 LYS QB 2.800 . 3.800 2.664 2.421 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
1577 1 70 ASP HA 1 73 VAL HB 2.100 . 5.500 4.516 3.157 5.524 0.024 29 0 "[ . 1 . 2 . 3]" 1
1578 1 68 LYS QG 2 6 LEU QD 2.600 . 3.400 1.925 1.616 2.579 0.284 12 0 "[ . 1 . 2 . 3]" 1
1579 1 50 ILE MD 1 68 LYS QG 3.200 . 4.500 3.795 2.903 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
1580 1 65 LEU QD 1 68 LYS QE 2.700 . 3.600 3.395 2.802 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
1581 1 68 LYS QE 1 68 LYS QG 2.500 . 4.000 2.414 2.112 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
1582 1 68 LYS HD2 1 68 LYS QE 2.500 . 3.000 2.271 2.142 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
1583 1 68 LYS HD3 1 68 LYS QE 2.400 . 3.100 2.341 2.138 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
1584 1 69 VAL HA 1 72 ALA HA 3.400 . 4.800 4.212 4.124 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
1585 1 69 VAL HA 1 69 VAL QG 2.100 . 2.700 2.113 2.065 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
1586 1 69 VAL HA 1 72 ALA MB 2.300 . 5.500 1.560 1.475 1.801 . 0 0 "[ . 1 . 2 . 3]" 1
1587 1 69 VAL HA 1 69 VAL HB 2.500 . 3.300 3.011 3.005 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1588 1 66 ARG HA 1 69 VAL HB 2.300 . 3.000 2.896 2.797 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
1589 1 69 VAL HB 1 73 VAL QG 3.300 . 4.700 4.512 4.302 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
1590 1 32 ILE MG 1 69 VAL HB 4.200 . 5.500 4.314 4.208 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
1591 1 31 LEU QD 1 69 VAL HB 3.500 . 5.000 3.756 3.329 3.975 . 0 0 "[ . 1 . 2 . 3]" 1
1592 1 69 VAL HB 1 69 VAL QG 2.100 . 2.700 1.866 1.856 1.886 . 0 0 "[ . 1 . 2 . 3]" 1
1593 1 66 ARG QG 1 69 VAL HB 3.700 . 5.400 3.966 3.807 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
1594 1 69 VAL QG 1 70 ASP HA 3.100 . 4.300 3.663 3.410 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
1595 1 69 VAL QG 1 73 VAL QG 2.000 . 2.500 2.438 2.336 2.522 0.022 9 0 "[ . 1 . 2 . 3]" 1
1596 1 69 VAL MG1 1 69 VAL MG2 1.900 . 2.400 1.934 1.869 2.071 . 0 0 "[ . 1 . 2 . 3]" 1
1597 1 31 LEU HB2 1 69 VAL QG 2.800 . 2.800 2.330 2.081 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1598 1 34 ALA MB 1 69 VAL QG 3.400 . 5.500 4.975 4.645 5.142 . 0 0 "[ . 1 . 2 . 3]" 1
1599 1 66 ARG QG 1 69 VAL QG 3.100 . 4.300 4.005 3.935 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1600 1 35 MET HB2 1 69 VAL QG 2.900 . 4.000 3.147 2.964 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
1601 1 35 MET HG2 1 69 VAL QG 3.200 . 4.500 4.122 3.316 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
1602 1 65 LEU HA 1 69 VAL QG 3.300 . 4.700 4.299 4.153 4.461 . 0 0 "[ . 1 . 2 . 3]" 1
1603 1 70 ASP HA 1 73 VAL QG 2.600 . 3.400 2.865 2.483 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
1604 1 70 ASP HA 1 72 ALA MB 3.300 . 4.700 4.633 4.504 4.708 0.008 7 0 "[ . 1 . 2 . 3]" 1
1605 1 70 ASP HA 1 70 ASP HB3 2.200 . 5.500 3.025 3.017 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
1606 1 70 ASP HA 1 70 ASP HB2 2.400 . 3.100 2.429 2.376 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
1607 1 67 SER HA 1 70 ASP HB2 2.700 . 3.600 2.687 2.256 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
1608 1 69 VAL QG 1 70 ASP HB2 4.100 . 5.500 4.847 4.674 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
1609 1 67 SER HA 1 70 ASP HB3 2.700 . 3.600 2.686 2.426 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
1610 1 69 VAL QG 1 70 ASP HB3 4.300 . 5.500 5.140 5.066 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
1611 1 71 GLU HA 1 73 VAL QG 3.300 . 5.500 4.353 3.760 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
1612 1 71 GLU HA 1 75 VAL QG 3.200 . 4.500 4.188 4.051 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
1613 1 71 GLU HA 1 74 ALA MB 2.100 . 2.700 2.440 2.199 2.660 . 0 0 "[ . 1 . 2 . 3]" 1
1614 1 71 GLU HA 1 71 GLU HB2 2.100 . 2.700 2.553 2.513 2.590 . 0 0 "[ . 1 . 2 . 3]" 1
1615 1 71 GLU QB 2 6 LEU QD 2.700 . 5.500 2.201 1.832 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
1616 1 71 GLU HB3 2 6 LEU QD 2.900 . 4.000 2.243 1.852 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
1617 1 71 GLU HB3 1 75 VAL QG 3.800 . 5.500 3.933 3.766 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
1618 1 71 GLU HB3 2 6 LEU QB 3.400 . 4.800 3.592 1.995 4.696 0.005 4 0 "[ . 1 . 2 . 3]" 1
1619 1 71 GLU HG3 1 75 VAL HA 3.700 . 5.500 5.638 5.174 6.188 0.688 7 8 "[ * .*+- 1* . ** *. 3]" 1
1620 1 71 GLU HA 1 71 GLU HG3 2.900 . 4.000 2.342 2.239 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
1621 1 71 GLU HG3 2 6 LEU QD 3.600 . 5.200 4.246 3.734 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
1622 1 71 GLU HG3 1 75 VAL QG 3.000 . 4.100 3.583 3.170 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
1623 1 71 GLU HG3 1 74 ALA MB 3.400 . 4.800 2.720 2.451 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
1624 1 71 GLU HA 1 71 GLU HG2 2.600 . 5.500 3.457 3.170 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
1625 1 71 GLU HG2 2 6 LEU QD 2.600 . 5.400 3.252 2.430 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
1626 1 71 GLU HG2 1 75 VAL QG 2.900 . 4.000 3.313 2.865 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
1627 1 71 GLU HG2 1 74 ALA MB 2.900 . 4.000 3.865 3.499 4.043 0.043 10 0 "[ . 1 . 2 . 3]" 1
1628 1 71 GLU HG2 2 6 LEU QB 4.300 . 5.500 3.767 2.390 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
1629 1 72 ALA HA 1 75 VAL QG 2.700 . 3.600 1.637 1.531 1.894 0.269 11 0 "[ . 1 . 2 . 3]" 1
1630 1 43 ILE MG 1 72 ALA HA 2.300 . 3.000 3.085 3.031 3.143 0.143 10 0 "[ . 1 . 2 . 3]" 1
1631 1 69 VAL QG 1 72 ALA HA 2.900 . 5.500 4.474 4.342 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
1632 1 72 ALA HA 1 72 ALA MB 1.900 . 2.400 2.090 2.080 2.109 . 0 0 "[ . 1 . 2 . 3]" 1
1633 1 72 ALA HA 1 75 VAL HB 2.300 . 5.500 4.400 2.116 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1634 1 71 GLU HB3 1 72 ALA HA 3.000 . 4.100 4.123 4.103 4.150 0.050 22 0 "[ . 1 . 2 . 3]" 1
1635 1 72 ALA MB 1 73 VAL HA 3.200 . 4.500 3.768 3.714 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
1636 1 71 GLU HG3 1 72 ALA MB 3.400 . 5.500 5.694 5.440 6.008 0.508 6 1 "[ .+ 1 . 2 . 3]" 1
1637 1 72 ALA MB 1 75 VAL HB 2.800 . 5.500 5.428 3.147 5.559 0.059 1 0 "[ . 1 . 2 . 3]" 1
1638 1 35 MET ME 1 72 ALA MB 2.700 . 5.500 4.657 4.452 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
1639 1 43 ILE MG 1 72 ALA MB 1.800 . 2.200 1.808 1.708 1.886 . 0 0 "[ . 1 . 2 . 3]" 1
1640 1 69 VAL QG 1 72 ALA MB 2.400 . 2.800 2.111 1.929 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1641 1 47 LEU HB2 1 72 ALA MB 3.100 . 4.300 3.790 3.377 4.329 0.029 22 0 "[ . 1 . 2 . 3]" 1
1642 1 73 VAL HA 1 77 GLN QG 3.800 . 5.500 5.063 4.687 5.330 . 0 0 "[ . 1 . 2 . 3]" 1
1643 1 73 VAL HA 1 73 VAL HB 2.400 . 3.100 2.631 2.318 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
1644 1 73 VAL HA 1 76 LEU QB 2.700 . 3.600 3.143 2.905 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
1645 1 43 ILE MD 1 73 VAL HA 2.000 . 2.500 1.706 1.490 2.044 0.010 8 0 "[ . 1 . 2 . 3]" 1
1646 1 73 VAL HA 1 76 LEU QD 2.900 . 5.500 3.597 1.746 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1647 1 69 VAL QG 1 73 VAL HA 3.300 . 4.700 4.373 4.238 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1648 1 73 VAL HA 1 75 VAL QG 2.500 . 5.500 3.933 3.673 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
1649 1 73 VAL QG 1 74 ALA MB 2.900 . 4.000 3.298 2.863 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
1650 1 73 VAL QG 1 77 GLN QB 3.200 . 4.500 4.295 4.233 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1651 1 73 VAL QG 1 77 GLN QG 3.200 . 4.000 3.383 2.892 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
1652 1 73 VAL MG1 1 73 VAL MG2 1.900 . 2.400 2.067 1.989 2.098 . 0 0 "[ . 1 . 2 . 3]" 1
1653 1 73 VAL QG 1 74 ALA HA 2.600 . 3.400 3.090 2.823 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
1654 1 74 ALA HA 1 76 LEU QD 3.600 . 5.200 5.064 5.022 5.132 . 0 0 "[ . 1 . 2 . 3]" 1
1655 1 74 ALA HA 1 74 ALA MB 1.800 . 2.200 2.119 2.084 2.129 . 0 0 "[ . 1 . 2 . 3]" 1
1656 1 74 ALA HA 1 77 GLN QB 2.300 . 4.000 2.631 2.092 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
1657 1 74 ALA HA 1 77 GLN QG 2.900 . 4.000 2.928 1.811 3.396 0.089 20 0 "[ . 1 . 2 . 3]" 1
1658 1 74 ALA MB 1 75 VAL HA 2.100 . 5.500 3.824 3.722 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
1659 1 74 ALA MB 1 77 GLN QB 2.600 . 5.500 3.753 3.189 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
1660 1 74 ALA MB 1 77 GLN QG 3.700 . 5.400 4.098 3.091 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1661 1 74 ALA MB 1 75 VAL QG 2.700 . 3.300 3.092 2.962 3.321 0.021 4 0 "[ . 1 . 2 . 3]" 1
1662 1 75 VAL HA 1 75 VAL QG 2.200 . 5.500 2.473 2.158 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
1663 1 75 VAL HA 1 78 ALA MB 2.200 . 2.800 2.723 2.587 2.827 0.027 29 0 "[ . 1 . 2 . 3]" 1
1664 1 46 MET ME 1 75 VAL HA 3.800 . 5.500 4.435 3.954 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
1665 1 75 VAL HA 1 75 VAL HB 2.500 . 3.300 2.316 2.276 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
1666 1 75 VAL HB 1 75 VAL QG 2.100 . 2.500 1.871 1.854 1.892 . 0 0 "[ . 1 . 2 . 3]" 1
1667 1 75 VAL QG 1 76 LEU HA 2.600 . 3.400 2.964 2.607 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
1668 1 75 VAL QG 1 79 HIS HA 2.100 . 5.500 5.300 5.139 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
1669 1 47 LEU HB2 1 75 VAL QG 2.500 . 5.500 4.787 4.463 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
1670 1 42 LYS QG 1 75 VAL QG 3.000 . 5.500 4.488 3.872 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
1671 1 72 ALA MB 1 75 VAL QG 2.700 . 3.600 2.894 2.759 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
1672 1 43 ILE HB 1 75 VAL QG 2.100 . 5.500 4.746 4.453 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
1673 1 75 VAL QG 1 79 HIS HB2 2.800 . 5.500 3.587 3.249 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
1674 1 76 LEU QB 1 76 LEU QD 2.300 . 3.000 1.929 1.742 2.041 0.058 21 0 "[ . 1 . 2 . 3]" 1
1675 1 77 GLN HA 1 77 GLN QG 2.200 . 5.500 2.773 2.318 3.424 . 0 0 "[ . 1 . 2 . 3]" 1
1676 1 76 LEU QB 1 77 GLN QG 4.200 . 5.500 3.591 3.187 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
1677 1 79 HIS HA 1 83 GLU QB 3.100 . 4.300 4.030 2.390 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
1678 1 76 LEU HA 1 79 HIS HB3 2.700 . 3.600 2.577 2.078 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
1679 1 79 HIS HA 1 79 HIS HB3 2.600 . 3.400 3.013 2.928 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1680 1 78 ALA MB 1 79 HIS HB3 4.300 . 5.500 5.073 4.766 5.511 0.011 24 0 "[ . 1 . 2 . 3]" 1
1681 1 42 LYS HB3 1 79 HIS HB3 3.800 . 5.500 5.585 5.373 6.128 0.628 26 1 "[ . 1 . 2 .+ 3]" 1
1682 1 76 LEU HA 1 79 HIS HB2 3.100 . 4.300 2.491 2.039 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
1683 1 79 HIS HA 1 79 HIS HB2 2.400 . 3.100 2.535 2.371 2.764 . 0 0 "[ . 1 . 2 . 3]" 1
1684 1 80 GLN HA 1 80 GLN HG3 2.600 . 3.400 2.955 2.170 3.444 0.044 19 0 "[ . 1 . 2 . 3]" 1
1685 1 80 GLN HA 1 80 GLN HG2 2.400 . 3.100 2.576 2.103 3.539 0.439 24 0 "[ . 1 . 2 . 3]" 1
1686 1 80 GLN HA 1 80 GLN HB3 2.200 . 2.800 2.632 2.381 2.941 0.141 21 0 "[ . 1 . 2 . 3]" 1
1687 1 80 GLN HA 1 80 GLN HB2 2.200 . 5.500 2.925 2.259 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
1688 1 80 GLN HA 1 83 GLU QB 2.300 . 5.500 2.558 2.016 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
1689 1 80 GLN HA 1 84 ALA MB 3.500 . 5.000 3.893 2.868 4.668 . 0 0 "[ . 1 . 2 . 3]" 1
1690 1 80 GLN HA 1 81 ALA MB 3.700 . 5.400 4.904 4.817 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
1691 1 80 GLN HB3 1 81 ALA MB 3.800 . 5.500 4.884 3.728 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
1692 1 80 GLN HB2 1 81 ALA MB 3.800 . 5.500 4.624 3.942 5.428 . 0 0 "[ . 1 . 2 . 3]" 1
1693 1 80 GLN HB2 1 84 ALA MB 3.800 . 5.500 4.976 4.148 5.540 0.040 19 0 "[ . 1 . 2 . 3]" 1
1694 1 80 GLN HB3 1 84 ALA MB 4.300 . 5.500 3.868 2.980 5.483 . 0 0 "[ . 1 . 2 . 3]" 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 102
_Distance_constraint_stats_list.Viol_count 344
_Distance_constraint_stats_list.Viol_total 589.451
_Distance_constraint_stats_list.Viol_max 0.739
_Distance_constraint_stats_list.Viol_rms 0.0349
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0571
_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 20 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 GLU 0.023 0.014 12 0 "[ . 1 . 2 . 3]"
1 28 LEU 0.732 0.090 22 0 "[ . 1 . 2 . 3]"
1 29 PHE 2.565 0.108 26 0 "[ . 1 . 2 . 3]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 GLY 0.868 0.108 26 0 "[ . 1 . 2 . 3]"
1 42 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 MET 0.603 0.150 14 0 "[ . 1 . 2 . 3]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 48 LEU 0.309 0.050 29 0 "[ . 1 . 2 . 3]"
1 50 ILE 0.552 0.046 21 0 "[ . 1 . 2 . 3]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 VAL 0.666 0.164 4 0 "[ . 1 . 2 . 3]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 4 SER 1.220 0.276 4 0 "[ . 1 . 2 . 3]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 6 LEU 0.227 0.099 13 0 "[ . 1 . 2 . 3]"
2 7 ASN 2.837 0.112 28 0 "[ . 1 . 2 . 3]"
2 8 PRO 1.940 0.112 28 0 "[ . 1 . 2 . 3]"
2 9 ASN 0.270 0.024 23 0 "[ . 1 . 2 . 3]"
2 10 ALA 2.835 0.276 4 0 "[ . 1 . 2 . 3]"
2 11 LYS 2.741 0.739 27 3 "[ . 1 - 2 . +* 3]"
2 12 GLU 0.007 0.007 26 0 "[ . 1 . 2 . 3]"
2 13 PHE 3.756 0.090 22 0 "[ . 1 . 2 . 3]"
2 14 VAL 0.020 0.013 28 0 "[ . 1 . 2 . 3]"
2 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 18 LYS 0.613 0.056 23 0 "[ . 1 . 2 . 3]"
2 19 TYR 7.652 0.338 14 0 "[ . 1 . 2 . 3]"
2 20 GLY 6.419 0.338 14 0 "[ . 1 . 2 . 3]"
2 21 ASN 0.037 0.037 4 0 "[ . 1 . 2 . 3]"
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 75 VAL QG 2 4 SER HA 4.100 . 5.500 3.706 2.713 4.962 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 75 VAL QG 2 4 SER QB 2.900 . 5.500 3.449 2.618 3.963 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 47 LEU QD 2 4 SER QB 4.600 . 5.500 3.543 2.822 3.905 . 0 0 "[ . 1 . 2 . 3]" 2
4 2 2 VAL QG 2 4 SER QB 5.100 . 5.500 3.849 2.309 5.051 . 0 0 "[ . 1 . 2 . 3]" 2
5 2 5 ASN HA 2 5 ASN QB 2.200 . 2.800 2.447 2.207 2.542 . 0 0 "[ . 1 . 2 . 3]" 2
6 2 5 ASN HB2 2 6 LEU HB2 5.000 . 5.500 4.025 3.537 4.710 . 0 0 "[ . 1 . 2 . 3]" 2
7 2 6 LEU HA 2 6 LEU QD 2.900 . 4.000 2.147 1.901 2.585 0.099 13 0 "[ . 1 . 2 . 3]" 2
8 1 70 ASP HB3 2 6 LEU QD 4.100 . 5.500 5.072 4.746 5.424 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 68 LYS QE 2 6 LEU QD 3.400 . 4.800 3.343 2.441 4.009 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 71 GLU HA 2 6 LEU QD 3.600 . 5.200 4.571 4.126 5.002 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 69 VAL QG 2 6 LEU QD 2.300 . 5.500 3.705 3.268 4.439 . 0 0 "[ . 1 . 2 . 3]" 2
12 1 75 VAL QG 2 6 LEU QD 3.200 . 4.500 3.537 2.764 4.259 . 0 0 "[ . 1 . 2 . 3]" 2
13 2 6 LEU HB3 2 6 LEU QD 2.100 . 2.700 2.216 2.025 2.517 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 68 LYS HD3 2 6 LEU QD 2.600 . 5.500 3.148 2.036 4.434 . 0 0 "[ . 1 . 2 . 3]" 2
15 2 7 ASN HA 2 7 ASN HB3 2.800 . 3.800 2.954 2.907 2.973 . 0 0 "[ . 1 . 2 . 3]" 2
16 2 7 ASN HA 2 7 ASN HB2 2.900 . 4.000 2.714 2.679 2.783 . 0 0 "[ . 1 . 2 . 3]" 2
17 2 4 SER QB 2 7 ASN HA 2.600 . 5.500 4.937 4.719 5.159 . 0 0 "[ . 1 . 2 . 3]" 2
18 2 7 ASN HA 2 8 PRO HA 2.500 . 5.500 4.464 4.438 4.499 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 47 LEU QD 2 7 ASN HA 4.200 . 5.500 3.701 3.414 3.860 . 0 0 "[ . 1 . 2 . 3]" 2
20 1 50 ILE HG13 2 7 ASN HA 4.400 . 5.500 5.500 5.275 5.546 0.046 21 0 "[ . 1 . 2 . 3]" 2
21 2 7 ASN HB2 2 10 ALA MB 3.300 . 4.700 4.666 3.924 4.730 0.030 6 0 "[ . 1 . 2 . 3]" 2
22 2 4 SER QB 2 7 ASN HB2 3.700 . 5.400 4.816 4.337 5.089 . 0 0 "[ . 1 . 2 . 3]" 2
23 2 7 ASN HB3 2 8 PRO HA 3.400 . 4.800 4.865 4.842 4.912 0.112 28 0 "[ . 1 . 2 . 3]" 2
24 2 10 ALA HA 2 11 LYS QG 4.300 . 5.500 3.927 3.516 5.352 . 0 0 "[ . 1 . 2 . 3]" 2
25 2 9 ASN HB3 2 10 ALA HA 4.600 . 5.500 5.265 5.076 5.462 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 46 MET QG 2 10 ALA HA 4.500 . 5.500 4.511 4.042 5.002 . 0 0 "[ . 1 . 2 . 3]" 2
27 2 9 ASN HA 2 10 ALA HA 4.200 . 5.500 4.702 4.631 4.781 . 0 0 "[ . 1 . 2 . 3]" 2
28 1 47 LEU QD 2 10 ALA MB 3.000 . 4.100 3.150 2.572 3.413 . 0 0 "[ . 1 . 2 . 3]" 2
29 2 2 VAL QG 2 10 ALA MB 2.700 . 5.500 3.215 1.775 5.496 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 46 MET ME 2 10 ALA MB 2.900 . 4.000 3.053 2.015 4.050 0.050 6 0 "[ . 1 . 2 . 3]" 2
31 1 46 MET QB 2 10 ALA MB 2.800 . 3.800 1.874 1.650 2.062 0.150 14 0 "[ . 1 . 2 . 3]" 2
32 1 75 VAL HB 2 10 ALA MB 3.200 . 4.500 4.427 4.052 4.664 0.164 4 0 "[ . 1 . 2 . 3]" 2
33 1 46 MET QG 2 10 ALA MB 2.400 . 4.000 3.515 3.344 3.650 . 0 0 "[ . 1 . 2 . 3]" 2
34 2 7 ASN HB3 2 10 ALA MB 2.900 . 4.000 3.568 3.058 3.664 . 0 0 "[ . 1 . 2 . 3]" 2
35 2 4 SER QB 2 10 ALA MB 3.100 . 4.300 1.952 1.624 2.253 0.276 4 0 "[ . 1 . 2 . 3]" 2
36 1 46 MET HA 2 10 ALA MB 2.200 . 5.500 3.416 3.030 3.700 . 0 0 "[ . 1 . 2 . 3]" 2
37 2 10 ALA HA 2 10 ALA MB 2.200 . 2.800 2.105 2.078 2.125 . 0 0 "[ . 1 . 2 . 3]" 2
38 2 11 LYS HA 2 11 LYS HG2 2.600 . 3.400 2.977 2.589 4.139 0.739 27 3 "[ . 1 - 2 . +* 3]" 2
39 2 11 LYS HA 2 11 LYS QB 2.200 . 2.800 2.241 2.143 2.315 . 0 0 "[ . 1 . 2 . 3]" 2
40 2 11 LYS HA 2 11 LYS QE 4.400 . 5.500 4.642 4.222 5.424 . 0 0 "[ . 1 . 2 . 3]" 2
41 2 12 GLU HA 2 12 GLU QG 2.700 . 3.600 2.279 1.996 2.634 . 0 0 "[ . 1 . 2 . 3]" 2
42 2 12 GLU HA 2 14 VAL QG 3.200 . 5.500 4.403 3.960 4.988 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 42 LYS QG 2 12 GLU HA 4.200 . 5.500 5.002 3.910 5.187 . 0 0 "[ . 1 . 2 . 3]" 2
44 2 12 GLU HA 2 12 GLU QB 2.400 . 3.100 2.446 2.270 2.539 . 0 0 "[ . 1 . 2 . 3]" 2
45 2 12 GLU HB3 2 14 VAL QG 3.100 . 4.300 2.785 1.893 4.194 0.007 26 0 "[ . 1 . 2 . 3]" 2
46 2 13 PHE HA 2 13 PHE HB2 2.900 . 4.000 2.603 2.507 2.713 . 0 0 "[ . 1 . 2 . 3]" 2
47 2 13 PHE HA 2 13 PHE HB3 3.000 . 4.100 3.007 2.960 3.026 . 0 0 "[ . 1 . 2 . 3]" 2
48 2 14 VAL HB 2 14 VAL QG 2.100 . 2.500 1.879 1.858 1.894 . 0 0 "[ . 1 . 2 . 3]" 2
49 2 12 GLU QG 2 14 VAL QG 3.300 . 4.600 3.811 2.849 4.310 . 0 0 "[ . 1 . 2 . 3]" 2
50 2 14 VAL HA 2 14 VAL QG 2.100 . 2.700 2.214 2.019 2.591 . 0 0 "[ . 1 . 2 . 3]" 2
51 2 13 PHE HA 2 14 VAL QG 3.100 . 4.300 3.518 3.212 3.822 . 0 0 "[ . 1 . 2 . 3]" 2
52 2 17 VAL HA 2 17 VAL HB 2.700 . 3.600 2.578 2.411 2.977 . 0 0 "[ . 1 . 2 . 3]" 2
53 2 17 VAL HA 2 17 VAL QG 2.300 . 3.000 2.166 1.960 2.344 . 0 0 "[ . 1 . 2 . 3]" 2
54 1 21 LYS QE 2 17 VAL MG1 3.700 . 5.400 4.133 2.311 5.246 . 0 0 "[ . 1 . 2 . 3]" 2
55 2 18 LYS HA 2 18 LYS QG 2.800 . 3.800 2.725 2.050 3.411 . 0 0 "[ . 1 . 2 . 3]" 2
56 2 18 LYS HA 2 18 LYS QD 3.000 . 4.100 3.800 3.387 4.091 . 0 0 "[ . 1 . 2 . 3]" 2
57 2 18 LYS HA 2 19 TYR HB3 4.800 . 5.500 5.053 4.858 5.350 . 0 0 "[ . 1 . 2 . 3]" 2
58 2 19 TYR HA 2 19 TYR HB2 2.600 . 3.400 2.678 2.566 2.850 . 0 0 "[ . 1 . 2 . 3]" 2
59 2 19 TYR HA 2 19 TYR HB3 2.700 . 3.600 2.972 2.856 3.016 . 0 0 "[ . 1 . 2 . 3]" 2
60 2 19 TYR HB2 2 20 GLY HA3 4.100 . 5.500 5.714 5.488 5.838 0.338 14 0 "[ . 1 . 2 . 3]" 2
61 2 18 LYS QB 2 21 ASN HB3 4.300 . 5.500 3.530 1.963 5.202 0.037 4 0 "[ . 1 . 2 . 3]" 2
62 2 18 LYS QB 2 21 ASN HB2 4.000 . 5.500 3.120 2.022 5.219 . 0 0 "[ . 1 . 2 . 3]" 2
63 2 7 ASN HA 2 9 ASN H 4.000 . 5.000 3.574 3.431 3.774 . 0 0 "[ . 1 . 2 . 3]" 2
64 2 7 ASN HB2 2 9 ASN H 4.000 . 5.000 4.270 4.162 4.374 . 0 0 "[ . 1 . 2 . 3]" 2
65 2 7 ASN HB3 2 9 ASN H 4.000 . 5.000 2.800 2.649 2.923 . 0 0 "[ . 1 . 2 . 3]" 2
66 1 47 LEU QD 2 9 ASN H 4.000 . 5.000 4.849 4.571 4.936 . 0 0 "[ . 1 . 2 . 3]" 2
67 2 9 ASN HB3 2 11 LYS H 4.000 . 5.000 4.869 4.512 5.024 0.024 23 0 "[ . 1 . 2 . 3]" 2
68 2 9 ASN HB2 2 11 LYS H 4.000 . 5.000 4.917 4.609 5.022 0.022 23 0 "[ . 1 . 2 . 3]" 2
69 1 48 LEU QD 2 13 PHE QD 3.200 . 4.000 2.668 2.500 2.856 . 0 0 "[ . 1 . 2 . 3]" 2
70 1 48 LEU QD 2 13 PHE QE 4.000 . 5.000 2.552 2.147 2.668 . 0 0 "[ . 1 . 2 . 3]" 2
71 1 28 LEU QD 2 13 PHE QE 4.000 . 5.500 5.340 4.986 5.590 0.090 22 0 "[ . 1 . 2 . 3]" 2
72 1 44 THR MG 2 13 PHE QE 4.000 . 5.000 3.483 2.705 4.132 . 0 0 "[ . 1 . 2 . 3]" 2
73 2 13 PHE QE 2 18 LYS HA 4.000 . 5.500 5.511 5.315 5.556 0.056 23 0 "[ . 1 . 2 . 3]" 2
74 1 29 PHE QD 2 13 PHE QD 3.200 . 4.000 3.420 3.193 3.792 . 0 0 "[ . 1 . 2 . 3]" 2
75 1 29 PHE HB2 2 13 PHE QD 4.000 . 5.000 5.038 5.010 5.086 0.086 15 0 "[ . 1 . 2 . 3]" 2
76 1 29 PHE HB3 2 13 PHE QE 4.000 . 5.500 5.403 4.922 5.573 0.073 29 0 "[ . 1 . 2 . 3]" 2
77 1 29 PHE HB2 2 13 PHE QE 4.000 . 5.000 3.960 3.459 4.130 . 0 0 "[ . 1 . 2 . 3]" 2
78 2 13 PHE QD 2 19 TYR HB3 4.000 . 5.000 4.954 4.384 5.054 0.054 20 0 "[ . 1 . 2 . 3]" 2
79 2 13 PHE QD 2 19 TYR HB2 4.000 . 5.000 4.222 3.793 4.644 . 0 0 "[ . 1 . 2 . 3]" 2
80 2 13 PHE QE 2 19 TYR HB3 4.000 . 5.000 4.693 4.354 5.003 0.003 10 0 "[ . 1 . 2 . 3]" 2
81 2 13 PHE QE 2 19 TYR HB2 4.000 . 5.000 3.799 3.514 4.167 . 0 0 "[ . 1 . 2 . 3]" 2
82 1 29 PHE H 2 13 PHE QE 4.000 . 5.000 4.837 4.495 5.043 0.043 21 0 "[ . 1 . 2 . 3]" 2
83 1 26 GLU H 2 13 PHE HZ 4.000 . 5.000 4.868 4.636 5.014 0.014 12 0 "[ . 1 . 2 . 3]" 2
84 1 48 LEU QD 2 13 PHE H 4.000 . 5.000 4.766 4.414 5.047 0.047 9 0 "[ . 1 . 2 . 3]" 2
85 1 25 GLY HA3 2 13 PHE HZ 4.000 . 5.000 2.894 2.651 3.219 . 0 0 "[ . 1 . 2 . 3]" 2
86 1 25 GLY HA2 2 13 PHE HZ 4.000 . 5.000 1.965 1.816 2.158 . 0 0 "[ . 1 . 2 . 3]" 2
87 1 48 LEU QD 2 19 TYR QD 4.000 . 5.000 3.362 3.166 3.563 . 0 0 "[ . 1 . 2 . 3]" 2
88 1 48 LEU QD 2 19 TYR QE 4.000 . 5.000 4.951 4.777 5.050 0.050 29 0 "[ . 1 . 2 . 3]" 2
89 2 14 VAL H 2 19 TYR QD 4.000 . 5.000 4.226 3.262 4.996 . 0 0 "[ . 1 . 2 . 3]" 2
90 2 14 VAL H 2 19 TYR QE 4.000 . 5.000 4.197 3.406 5.013 0.013 28 0 "[ . 1 . 2 . 3]" 2
91 2 11 LYS HA 2 19 TYR QE 4.000 . 5.000 4.730 4.280 5.063 0.063 28 0 "[ . 1 . 2 . 3]" 2
92 2 11 LYS QB 2 19 TYR QD 4.000 . 5.000 4.248 3.711 5.016 0.016 27 0 "[ . 1 . 2 . 3]" 2
93 2 11 LYS HB3 2 19 TYR QE 4.000 . 5.000 3.430 2.767 4.317 . 0 0 "[ . 1 . 2 . 3]" 2
94 2 11 LYS HB2 2 19 TYR QE 4.000 . 5.000 2.328 1.771 4.153 0.029 19 0 "[ . 1 . 2 . 3]" 2
95 1 29 PHE QD 1 44 THR MG 3.200 . 4.000 2.332 1.960 2.637 . 0 0 "[ . 1 . 2 . 3]" 2
96 1 29 PHE QD 1 40 ALA MB 3.200 . 4.000 2.762 2.325 3.558 . 0 0 "[ . 1 . 2 . 3]" 2
97 1 29 PHE QE 1 40 ALA MB 3.200 . 4.000 2.651 2.189 3.188 . 0 0 "[ . 1 . 2 . 3]" 2
98 1 29 PHE HZ 1 40 ALA MB 4.000 . 5.000 4.334 3.857 4.479 . 0 0 "[ . 1 . 2 . 3]" 2
99 1 29 PHE HZ 1 41 GLY H 3.200 . 4.000 3.985 3.671 4.108 0.108 26 0 "[ . 1 . 2 . 3]" 2
100 1 20 GLN QE 2 18 LYS HA 3.200 . 4.000 2.950 2.476 3.401 . 0 0 "[ . 1 . 2 . 3]" 2
101 2 7 ASN QD 2 10 ALA MB 4.000 . 5.000 4.469 4.322 4.785 . 0 0 "[ . 1 . 2 . 3]" 2
102 2 7 ASN QD 2 10 ALA HA 4.000 . 5.000 3.919 3.534 4.440 . 0 0 "[ . 1 . 2 . 3]" 2
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