NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
387580 |
1mek   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mek
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 1209
_Distance_constraint_stats_list.Viol_count 4480
_Distance_constraint_stats_list.Viol_total 12439.363
_Distance_constraint_stats_list.Viol_max 0.988
_Distance_constraint_stats_list.Viol_rms 0.0413
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0694
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.264 0.072 3 0 "[ . 1 . 2 . 3 . 4]"
1 2 ALA 0.544 0.072 3 0 "[ . 1 . 2 . 3 . 4]"
1 3 PRO 0.452 0.086 16 0 "[ . 1 . 2 . 3 . 4]"
1 4 GLU 6.676 0.546 34 1 "[ . 1 . 2 . 3 +. 4]"
1 5 GLU 16.151 0.984 26 10 "[ ** 1 *. * 2 * .+* 3 -* * 4]"
1 6 GLU 15.852 0.984 26 9 "[ *- 1 *. * 2 * .+* 3 * * 4]"
1 7 ASP 0.247 0.060 33 0 "[ . 1 . 2 . 3 . 4]"
1 8 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
1 9 VAL 3.561 0.263 2 0 "[ . 1 . 2 . 3 . 4]"
1 10 LEU 18.329 0.812 16 6 "[ . * 1 ** .+ 2 . * 3 .* 4]"
1 11 VAL 13.051 0.812 16 6 "[ . * 1 ** .+ 2 . * 3 .* 4]"
1 12 LEU 3.395 0.169 27 0 "[ . 1 . 2 . 3 . 4]"
1 13 ARG 12.593 0.842 33 4 "[ . 1 . 2 . *3 + . - *4]"
1 14 LYS 12.219 0.842 33 4 "[ . 1 . 2 . *3 + . - *4]"
1 15 SER 7.339 0.481 1 0 "[ . 1 . 2 . 3 . 4]"
1 16 ASN 6.464 0.481 1 0 "[ . 1 . 2 . 3 . 4]"
1 17 PHE 7.328 0.481 1 0 "[ . 1 . 2 . 3 . 4]"
1 18 ALA 3.469 0.096 23 0 "[ . 1 . 2 . 3 . 4]"
1 19 GLU 7.680 0.500 3 0 "[ . 1 . 2 . 3 . 4]"
1 20 ALA 7.016 0.500 3 0 "[ . 1 . 2 . 3 . 4]"
1 21 LEU 7.984 0.164 17 0 "[ . 1 . 2 . 3 . 4]"
1 22 ALA 4.091 0.485 3 0 "[ . 1 . 2 . 3 . 4]"
1 23 ALA 2.552 0.164 17 0 "[ . 1 . 2 . 3 . 4]"
1 24 HIS 4.251 0.571 8 1 "[ . + 1 . 2 . 3 . 4]"
1 25 LYS 3.620 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]"
1 26 TYR 8.432 0.908 28 5 "[ * 1 - . 2 .* + 3* . 4]"
1 27 LEU 2.166 0.571 8 1 "[ . + 1 . 2 . 3 . 4]"
1 28 LEU 2.024 0.145 12 0 "[ . 1 . 2 . 3 . 4]"
1 29 VAL 0.636 0.087 22 0 "[ . 1 . 2 . 3 . 4]"
1 30 GLU 11.655 0.943 19 3 "[ . 1 - +2 . 3 * 4]"
1 31 PHE 8.021 0.943 19 3 "[ . 1 * +2 . 3 - 4]"
1 32 TYR 2.481 0.076 4 0 "[ . 1 . 2 . 3 . 4]"
1 33 ALA 5.389 0.122 34 0 "[ . 1 . 2 . 3 . 4]"
1 34 PRO 0.756 0.052 27 0 "[ . 1 . 2 . 3 . 4]"
1 35 TRP 0.299 0.086 26 0 "[ . 1 . 2 . 3 . 4]"
1 36 CYS 4.782 0.305 7 0 "[ . 1 . 2 . 3 . 4]"
1 37 GLY 0.918 0.918 9 1 "[ . +1 . 2 . 3 . 4]"
1 38 HIS 3.485 0.258 9 0 "[ . 1 . 2 . 3 . 4]"
1 39 CYS 9.380 0.918 9 2 "[ . +1 . 2 . 3 . - 4]"
1 40 LYS 2.615 0.257 38 0 "[ . 1 . 2 . 3 . 4]"
1 41 ALA 1.193 0.082 7 0 "[ . 1 . 2 . 3 . 4]"
1 42 LEU 0.671 0.376 15 0 "[ . 1 . 2 . 3 . 4]"
1 43 ALA 0.056 0.033 19 0 "[ . 1 . 2 . 3 . 4]"
1 44 PRO 4.253 0.229 26 0 "[ . 1 . 2 . 3 . 4]"
1 45 GLU 19.090 0.439 23 0 "[ . 1 . 2 . 3 . 4]"
1 46 TYR 9.013 0.392 37 0 "[ . 1 . 2 . 3 . 4]"
1 47 ALA 4.161 0.235 6 0 "[ . 1 . 2 . 3 . 4]"
1 48 LYS 4.144 0.229 26 0 "[ . 1 . 2 . 3 . 4]"
1 49 ALA 3.185 0.169 39 0 "[ . 1 . 2 . 3 . 4]"
1 50 ALA 5.009 0.988 34 4 "[ . -1 . * 2 . 3 +. *4]"
1 51 GLY 0.932 0.084 34 0 "[ . 1 . 2 . 3 . 4]"
1 52 LYS 0.959 0.093 34 0 "[ . 1 . 2 . 3 . 4]"
1 53 LEU 9.999 0.988 34 5 "[ . -1 . * 2 * 3 +. *4]"
1 54 LYS 2.184 0.157 34 0 "[ . 1 . 2 . 3 . 4]"
1 55 ALA 2.145 0.748 25 1 "[ . 1 . 2 + 3 . 4]"
1 56 GLU 7.545 0.788 25 3 "[ . 1* . 2 -+ 3 . 4]"
1 57 GLY 2.012 0.163 11 0 "[ . 1 . 2 . 3 . 4]"
1 58 SER 7.463 0.764 34 4 "[ . 1* . 2 -* 3 +. 4]"
1 59 GLU 16.796 0.908 28 6 "[ - 1 * * .* + 3* . 4]"
1 60 ILE 16.288 0.844 15 8 "[ * * 1 + ** * .- 3* . 4]"
1 61 ARG 4.270 0.559 12 1 "[ . 1 + . 2 . 3 . 4]"
1 62 LEU 1.310 0.078 15 0 "[ . 1 . 2 . 3 . 4]"
1 63 ALA 9.173 0.539 16 1 "[ . 1 .+ 2 . 3 . 4]"
1 64 LYS 8.706 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]"
1 65 VAL 10.110 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]"
1 66 ASP 1.508 0.070 25 0 "[ . 1 . 2 . 3 . 4]"
1 67 ALA 1.490 0.078 25 0 "[ . 1 . 2 . 3 . 4]"
1 68 THR 3.469 0.726 15 1 "[ . 1 + 2 . 3 . 4]"
1 69 GLU 2.635 0.726 15 1 "[ . 1 + 2 . 3 . 4]"
1 70 GLU 0.949 0.163 8 0 "[ . 1 . 2 . 3 . 4]"
1 71 SER 1.956 0.144 11 0 "[ . 1 . 2 . 3 . 4]"
1 72 ASP 2.718 0.192 3 0 "[ . 1 . 2 . 3 . 4]"
1 73 LEU 7.319 0.285 27 0 "[ . 1 . 2 . 3 . 4]"
1 74 ALA 6.410 0.285 27 0 "[ . 1 . 2 . 3 . 4]"
1 75 GLN 1.040 0.192 3 0 "[ . 1 . 2 . 3 . 4]"
1 76 GLN 11.533 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]"
1 77 TYR 7.739 0.275 37 0 "[ . 1 . 2 . 3 . 4]"
1 78 GLY 8.804 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]"
1 79 VAL 0.757 0.096 31 0 "[ . 1 . 2 . 3 . 4]"
1 80 ARG 3.255 0.513 30 1 "[ . 1 . 2 . + . 4]"
1 81 GLY 0.172 0.078 30 0 "[ . 1 . 2 . 3 . 4]"
1 82 TYR 1.812 0.225 39 0 "[ . 1 . 2 . 3 . 4]"
1 83 PRO 5.578 0.918 9 3 "[ . +1 - *2 . 3 . 4]"
1 84 THR 4.115 0.529 15 1 "[ . 1 + 2 . 3 . 4]"
1 85 ILE 2.201 0.630 19 2 "[ . 1 - +2 . 3 . 4]"
1 86 LYS 0.887 0.291 16 0 "[ . 1 . 2 . 3 . 4]"
1 87 PHE 1.642 0.057 29 0 "[ . 1 . 2 . 3 . 4]"
1 88 PHE 5.783 0.143 20 0 "[ . 1 . 2 . 3 . 4]"
1 89 ARG 6.845 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]"
1 90 ASN 5.771 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]"
1 91 GLY 0.923 0.163 12 0 "[ . 1 . 2 . 3 . 4]"
1 92 ASP 0.271 0.056 32 0 "[ . 1 . 2 . 3 . 4]"
1 93 THR 0.418 0.086 32 0 "[ . 1 . 2 . 3 . 4]"
1 94 ALA 2.976 0.145 29 0 "[ . 1 . 2 . 3 . 4]"
1 95 SER 5.337 0.556 3 1 "[ + . 1 . 2 . 3 . 4]"
1 96 PRO 0.245 0.056 17 0 "[ . 1 . 2 . 3 . 4]"
1 97 LYS 4.727 0.458 38 0 "[ . 1 . 2 . 3 . 4]"
1 98 GLU 3.579 0.458 38 0 "[ . 1 . 2 . 3 . 4]"
1 99 TYR 1.483 0.167 40 0 "[ . 1 . 2 . 3 . 4]"
1 100 THR 0.111 0.058 12 0 "[ . 1 . 2 . 3 . 4]"
1 101 ALA 1.518 0.600 17 2 "[ . 1 . + 2 . 3- . 4]"
1 102 GLY 1.488 0.103 3 0 "[ . 1 . 2 . 3 . 4]"
1 103 ARG 4.461 0.513 3 1 "[ + . 1 . 2 . 3 . 4]"
1 104 GLU 13.376 0.763 3 5 "[ + . 1* . - * . 3* . 4]"
1 105 ALA 20.688 0.763 3 4 "[ + . 1* . - * . 3 . 4]"
1 106 ASP 4.107 0.211 14 0 "[ . 1 . 2 . 3 . 4]"
1 107 ASP 5.016 0.268 32 0 "[ . 1 . 2 . 3 . 4]"
1 108 ILE 4.700 0.268 32 0 "[ . 1 . 2 . 3 . 4]"
1 109 VAL 2.039 0.191 27 0 "[ . 1 . 2 . 3 . 4]"
1 110 ASN 4.873 0.191 27 0 "[ . 1 . 2 . 3 . 4]"
1 111 TRP 5.571 0.600 17 2 "[ . 1 . + 2 . 3- . 4]"
1 112 LEU 2.899 0.480 19 0 "[ . 1 . 2 . 3 . 4]"
1 113 LYS 17.474 0.504 19 3 "[ . 1 . +2 * 3 -. 4]"
1 114 LYS 0.599 0.214 40 0 "[ . 1 . 2 . 3 . 4]"
1 115 ARG 0.419 0.073 30 0 "[ . 1 . 2 . 3 . 4]"
1 116 THR 1.698 0.170 23 0 "[ . 1 . 2 . 3 . 4]"
1 117 GLY 0.960 0.214 40 0 "[ . 1 . 2 . 3 . 4]"
1 118 PRO 0.683 0.077 1 0 "[ . 1 . 2 . 3 . 4]"
1 119 ALA 0.456 0.077 1 0 "[ . 1 . 2 . 3 . 4]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASP HA 1 2 ALA H 3.000 . 3.500 2.626 2.205 3.572 0.072 3 0 "[ . 1 . 2 . 3 . 4]" 1
2 1 1 ASP HB2 1 2 ALA H 4.000 . 5.000 3.678 1.971 4.689 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
3 1 1 ASP HB3 1 2 ALA H 4.000 . 5.000 3.805 1.947 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
4 1 2 ALA H 1 2 ALA HA 3.000 . 3.500 2.743 2.355 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
5 1 2 ALA H 1 2 ALA MB 3.000 . 3.500 2.539 1.946 2.840 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
6 1 2 ALA H 1 3 PRO HD2 4.000 . 5.000 4.486 3.776 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
7 1 2 ALA H 1 3 PRO HD3 4.000 . 5.000 3.970 2.619 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
8 1 2 ALA HA 1 3 PRO HD2 2.000 . 2.500 2.211 2.039 2.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
9 1 2 ALA HA 1 3 PRO HD3 2.000 . 2.500 2.397 2.205 2.533 0.033 24 0 "[ . 1 . 2 . 3 . 4]" 1
10 1 2 ALA HA 1 3 PRO QG 4.000 . 5.000 3.930 3.864 4.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
11 1 3 PRO HA 1 4 GLU H 2.000 . 2.500 2.334 2.215 2.586 0.086 16 0 "[ . 1 . 2 . 3 . 4]" 1
12 1 3 PRO HB3 1 4 GLU H 4.000 . 5.000 3.868 3.339 4.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
13 1 4 GLU H 1 4 GLU HB2 4.000 . 5.000 2.597 1.944 3.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
14 1 4 GLU H 1 4 GLU HB3 3.000 . 3.500 3.001 2.323 3.977 0.477 33 0 "[ . 1 . 2 . 3 . 4]" 1
15 1 4 GLU H 1 4 GLU QG 4.000 . 5.000 3.728 1.676 4.466 0.124 34 0 "[ . 1 . 2 . 3 . 4]" 1
16 1 4 GLU H 1 5 GLU H 4.000 . 5.000 4.503 3.080 4.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
17 1 4 GLU H 1 16 ASN QD 4.000 . 5.000 4.112 3.079 4.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
18 1 4 GLU HB2 1 5 GLU H 3.000 . 3.500 2.796 1.931 3.944 0.444 6 0 "[ . 1 . 2 . 3 . 4]" 1
19 1 4 GLU HB3 1 5 GLU H 3.000 . 3.500 2.793 1.761 3.831 0.331 5 0 "[ . 1 . 2 . 3 . 4]" 1
20 1 4 GLU QG 1 5 GLU H . . 3.500 3.173 1.934 4.046 0.546 34 1 "[ . 1 . 2 . 3 +. 4]" 1
21 1 5 GLU H 1 5 GLU HB2 4.000 . 5.000 3.351 2.352 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
22 1 5 GLU H 1 5 GLU HB3 4.000 . 5.000 3.446 2.411 4.081 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
23 1 5 GLU H 1 6 GLU H 4.000 . 5.000 4.411 4.077 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
24 1 5 GLU H 1 11 VAL QG 4.000 . 5.000 3.849 1.843 4.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
25 1 5 GLU HA 1 6 GLU H 2.000 . 2.500 2.379 2.203 2.577 0.077 21 0 "[ . 1 . 2 . 3 . 4]" 1
26 1 5 GLU HA 1 11 VAL H 3.000 . 3.500 3.175 2.255 3.608 0.108 26 0 "[ . 1 . 2 . 3 . 4]" 1
27 1 5 GLU QB 1 6 GLU H 3.000 . 3.500 2.745 2.113 3.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
28 1 5 GLU HB2 1 6 GLU H 3.000 . 3.500 3.247 2.128 4.484 0.984 26 9 "[ *- 1 *. * 2 * .+* 3 * * 4]" 1
29 1 5 GLU HG3 1 6 GLU H 4.000 . 5.000 4.449 3.607 5.343 0.343 37 0 "[ . 1 . 2 . 3 . 4]" 1
30 1 6 GLU H 1 6 GLU HB2 3.000 . 3.500 2.435 2.029 3.660 0.160 14 0 "[ . 1 . 2 . 3 . 4]" 1
31 1 6 GLU H 1 6 GLU HB3 3.000 . 3.500 3.458 2.628 3.694 0.194 32 0 "[ . 1 . 2 . 3 . 4]" 1
32 1 6 GLU H 1 6 GLU QG 3.000 . 3.500 3.351 1.894 3.890 0.390 8 0 "[ . 1 . 2 . 3 . 4]" 1
33 1 6 GLU H 1 9 VAL H 3.000 . 3.500 3.263 2.539 3.581 0.081 17 0 "[ . 1 . 2 . 3 . 4]" 1
34 1 6 GLU H 1 9 VAL HB 4.000 . 5.000 4.002 2.717 5.051 0.051 5 0 "[ . 1 . 2 . 3 . 4]" 1
35 1 6 GLU H 1 9 VAL QG 3.000 . 3.500 3.179 2.474 3.578 0.078 37 0 "[ . 1 . 2 . 3 . 4]" 1
36 1 6 GLU H 1 11 VAL H 4.000 . 5.000 4.722 3.890 5.069 0.069 14 0 "[ . 1 . 2 . 3 . 4]" 1
37 1 7 ASP HB2 1 47 ALA MB 3.000 . 3.500 3.205 2.239 3.560 0.060 33 0 "[ . 1 . 2 . 3 . 4]" 1
38 1 7 ASP HB3 1 47 ALA MB 3.000 . 3.500 2.999 1.938 3.534 0.034 17 0 "[ . 1 . 2 . 3 . 4]" 1
39 1 8 HIS HA 1 9 VAL H 3.000 . 3.500 3.121 2.755 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
40 1 9 VAL H 1 9 VAL HA 3.000 . 3.500 2.989 2.950 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
41 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 2.863 2.448 3.763 0.263 2 0 "[ . 1 . 2 . 3 . 4]" 1
42 1 9 VAL H 1 9 VAL QG 3.000 . 3.500 2.570 1.828 3.077 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
43 1 9 VAL H 1 10 LEU H 4.000 . 5.000 4.460 4.062 4.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
44 1 9 VAL HA 1 10 LEU H 2.000 . 2.500 2.461 2.239 2.641 0.141 5 0 "[ . 1 . 2 . 3 . 4]" 1
45 1 9 VAL HA 1 50 ALA MB 4.000 . 5.000 3.251 2.662 4.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
46 1 9 VAL HB 1 10 LEU H 4.000 . 5.000 3.464 2.158 4.401 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
47 1 9 VAL QG 1 10 LEU H 3.000 . 3.500 2.274 1.828 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
48 1 9 VAL QG 1 64 LYS H 3.000 . 3.500 3.148 2.805 3.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
49 1 9 VAL QG 1 65 VAL H 4.000 . 5.000 4.551 3.898 4.940 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
50 1 9 VAL QG 1 46 TYR QD 3.000 . 3.500 2.973 1.877 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
51 1 9 VAL QG 1 46 TYR QE 4.000 . 5.000 2.135 1.711 3.286 0.089 13 0 "[ . 1 . 2 . 3 . 4]" 1
52 1 9 VAL QG 1 47 ALA H 4.000 . 5.000 3.928 2.888 4.376 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
53 1 9 VAL QG 1 47 ALA MB 4.000 . 5.000 2.488 1.781 3.128 0.019 39 0 "[ . 1 . 2 . 3 . 4]" 1
54 1 9 VAL QG 1 48 LYS H 4.000 . 5.000 4.561 4.187 4.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
55 1 9 VAL QG 1 50 ALA MB 4.000 . 5.000 2.258 1.772 3.253 0.028 9 0 "[ . 1 . 2 . 3 . 4]" 1
56 1 9 VAL QG 1 51 GLY H 4.000 . 5.000 4.790 4.063 4.970 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
57 1 9 VAL QG 1 63 ALA H 4.000 . 5.000 3.752 2.894 4.512 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
58 1 9 VAL QG 1 63 ALA HA 4.000 . 5.000 2.692 1.839 3.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
59 1 10 LEU H 1 10 LEU HA 3.000 . 3.500 2.983 2.941 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
60 1 10 LEU H 1 10 LEU HB2 3.000 . 3.500 2.844 2.026 3.979 0.479 36 0 "[ . 1 . 2 . 3 . 4]" 1
61 1 10 LEU H 1 10 LEU HB3 3.000 . 3.500 2.866 2.394 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
62 1 10 LEU H 1 10 LEU QD 3.000 . 3.500 2.838 1.775 3.431 0.025 27 0 "[ . 1 . 2 . 3 . 4]" 1
63 1 10 LEU H 1 11 VAL H 4.000 . 5.000 4.513 4.373 4.625 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
64 1 10 LEU H 1 62 LEU O 2.300 . 2.300 2.286 1.906 2.372 0.072 29 0 "[ . 1 . 2 . 3 . 4]" 1
65 1 10 LEU H 1 63 ALA HA 2.000 . 2.500 2.499 2.183 2.595 0.095 37 0 "[ . 1 . 2 . 3 . 4]" 1
66 1 10 LEU H 1 64 LYS H 4.000 . 5.000 4.423 4.113 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
67 1 10 LEU HA 1 11 VAL H 2.000 . 2.500 2.413 2.214 2.603 0.103 9 0 "[ . 1 . 2 . 3 . 4]" 1
68 1 10 LEU HB2 1 11 VAL H 4.000 . 5.000 2.914 1.990 4.027 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
69 1 10 LEU HB3 1 11 VAL H 3.000 . 3.500 3.367 2.210 4.312 0.812 16 6 "[ . - 1 ** .+ 2 . * 3 .* 4]" 1
70 1 10 LEU HB3 1 11 VAL H 3.000 . 3.500 3.229 2.191 4.039 0.539 16 1 "[ . 1 .+ 2 . 3 . 4]" 1
71 1 10 LEU QD 1 11 VAL H . . 3.500 2.649 1.786 3.431 0.014 25 0 "[ . 1 . 2 . 3 . 4]" 1
72 1 10 LEU QD 1 20 ALA H 4.000 . 5.000 4.382 3.899 4.869 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
73 1 10 LEU QD 1 28 LEU H 4.000 . 5.000 3.696 3.354 4.132 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
74 1 10 LEU QD 1 63 ALA H 4.000 . 5.000 3.859 3.378 4.346 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
75 1 10 LEU QD 1 62 LEU H 3.000 . 3.500 3.088 2.095 3.510 0.010 32 0 "[ . 1 . 2 . 3 . 4]" 1
76 1 10 LEU QD 1 64 LYS H 4.000 . 5.000 4.354 3.037 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
77 1 10 LEU HG 1 63 ALA H 4.000 . 5.000 4.240 3.488 4.931 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
78 1 10 LEU N 1 62 LEU O 3.300 2.400 3.300 3.202 2.812 3.328 0.028 24 0 "[ . 1 . 2 . 3 . 4]" 1
79 1 10 LEU O 1 64 LYS H 2.300 . 2.300 2.176 1.922 2.376 0.076 21 0 "[ . 1 . 2 . 3 . 4]" 1
80 1 10 LEU O 1 64 LYS N 3.300 2.400 3.300 2.964 2.677 3.194 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
81 1 11 VAL H 1 11 VAL HA 3.000 . 3.500 2.984 2.913 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
82 1 11 VAL H 1 11 VAL QG 3.000 . 3.500 2.190 1.833 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
83 1 11 VAL H 1 64 LYS H 4.000 . 5.000 3.291 2.929 3.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
84 1 11 VAL HA 1 12 LEU H 4.000 . 5.000 2.307 2.225 2.414 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
85 1 11 VAL HA 1 64 LYS H 3.000 . 3.500 2.203 1.913 2.687 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
86 1 11 VAL HB 1 12 LEU H 4.000 . 5.000 3.915 3.034 4.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
87 1 11 VAL HB 1 64 LYS H 4.000 . 5.000 4.660 3.571 5.104 0.104 13 0 "[ . 1 . 2 . 3 . 4]" 1
88 1 11 VAL QG 1 12 LEU H 4.000 . 5.000 2.462 1.933 3.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
89 1 12 LEU H 1 13 ARG H 4.000 . 5.000 4.505 4.356 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
90 1 12 LEU H 1 64 LYS H 3.000 . 3.500 3.398 3.017 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4]" 1
91 1 12 LEU H 1 64 LYS O 2.300 . 2.300 2.007 1.557 2.339 0.039 25 0 "[ . 1 . 2 . 3 . 4]" 1
92 1 12 LEU H 1 65 VAL HA 4.000 . 5.000 3.056 2.688 3.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
93 1 12 LEU H 1 66 ASP H 4.000 . 5.000 4.998 4.664 5.070 0.070 25 0 "[ . 1 . 2 . 3 . 4]" 1
94 1 12 LEU HA 1 13 ARG H 2.000 . 2.500 2.488 2.242 2.669 0.169 27 0 "[ . 1 . 2 . 3 . 4]" 1
95 1 12 LEU HB2 1 13 ARG H 3.000 . 3.500 2.895 1.935 3.663 0.163 4 0 "[ . 1 . 2 . 3 . 4]" 1
96 1 12 LEU HB3 1 13 ARG H 3.000 . 3.500 2.558 2.159 3.480 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
97 1 12 LEU QD 1 13 ARG H 3.000 . 3.500 3.040 2.231 3.349 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
98 1 12 LEU QD 1 16 ASN H 4.000 . 5.000 4.561 3.663 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
99 1 12 LEU QD 1 16 ASN QD 4.000 . 5.000 3.439 2.530 4.054 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
100 1 12 LEU QD 1 17 PHE H 4.000 . 5.000 3.656 2.515 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
101 1 12 LEU QD 1 20 ALA H 4.000 . 5.000 3.316 2.868 4.240 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
102 1 12 LEU QD 1 20 ALA MB 3.000 . 3.500 1.867 1.659 2.327 0.141 24 0 "[ . 1 . 2 . 3 . 4]" 1
103 1 12 LEU QD 1 64 LYS H 4.000 . 5.000 3.669 2.319 4.288 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
104 1 12 LEU HG 1 17 PHE H 4.000 . 5.000 3.717 2.700 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
105 1 12 LEU HG 1 20 ALA H 4.000 . 5.000 4.435 3.638 4.808 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
106 1 12 LEU N 1 64 LYS O 3.300 2.400 3.300 2.926 2.506 3.259 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
107 1 13 ARG H 1 13 ARG HB2 4.000 . 5.000 3.130 2.255 4.089 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
108 1 13 ARG H 1 13 ARG HB3 3.000 . 3.500 3.456 2.782 3.871 0.371 33 0 "[ . 1 . 2 . 3 . 4]" 1
109 1 13 ARG H 1 14 LYS H 4.000 . 5.000 4.317 3.758 4.428 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
110 1 13 ARG H 1 15 SER H 4.000 . 5.000 4.375 3.485 4.984 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
111 1 13 ARG H 1 16 ASN H 4.000 . 5.000 3.018 2.462 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
112 1 13 ARG H 1 16 ASN H 4.000 . 5.000 2.784 2.081 3.104 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
113 1 13 ARG H 1 16 ASN QD 4.000 . 5.000 3.491 2.094 3.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
114 1 13 ARG H 1 17 PHE H 4.000 . 5.000 2.934 2.225 4.409 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
115 1 13 ARG H 1 17 PHE HA 4.000 . 5.000 3.811 2.560 4.397 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
116 1 13 ARG H 1 17 PHE QD 4.000 . 5.000 4.673 3.495 5.046 0.046 26 0 "[ . 1 . 2 . 3 . 4]" 1
117 1 13 ARG H 1 20 ALA MB 4.000 . 5.000 4.928 4.573 5.087 0.087 25 0 "[ . 1 . 2 . 3 . 4]" 1
118 1 13 ARG HA 1 14 LYS H 3.000 . 3.500 2.735 2.329 3.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
119 1 13 ARG HA 1 15 SER H 4.000 . 5.000 4.528 4.100 5.033 0.033 13 0 "[ . 1 . 2 . 3 . 4]" 1
120 1 13 ARG HA 1 70 GLU QG 4.000 . 5.000 2.207 1.683 3.652 0.117 7 0 "[ . 1 . 2 . 3 . 4]" 1
121 1 13 ARG HB2 1 14 LYS H 3.000 . 3.500 3.169 1.899 4.211 0.711 29 3 "[ . 1 . 2 . +3 . - *4]" 1
122 1 13 ARG HB2 1 16 ASN H 4.000 . 5.000 3.676 2.401 4.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
123 1 13 ARG HB3 1 14 LYS H 3.000 . 3.500 2.570 1.784 3.568 0.068 6 0 "[ . 1 . 2 . 3 . 4]" 1
124 1 13 ARG HB3 1 16 ASN H 4.000 . 5.000 3.647 2.343 4.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
125 1 13 ARG HB3 1 16 ASN QD 4.000 . 5.000 3.912 2.501 5.009 0.009 11 0 "[ . 1 . 2 . 3 . 4]" 1
126 1 13 ARG HD2 1 14 LYS H 4.000 . 5.000 4.272 2.086 5.842 0.842 33 1 "[ . 1 . 2 . 3 + . 4]" 1
127 1 13 ARG QG 1 16 ASN QD 4.000 . 5.000 3.322 1.932 4.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
128 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.855 2.741 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
129 1 14 LYS H 1 14 LYS HB2 3.000 . 3.500 2.135 1.933 3.504 0.004 22 0 "[ . 1 . 2 . 3 . 4]" 1
130 1 14 LYS H 1 14 LYS HB3 3.000 . 3.500 3.226 2.258 3.529 0.029 31 0 "[ . 1 . 2 . 3 . 4]" 1
131 1 14 LYS H 1 14 LYS HD3 4.000 . 5.000 3.270 2.158 4.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
132 1 14 LYS H 1 15 SER H 3.000 . 3.500 2.705 1.889 3.127 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
133 1 14 LYS H 1 16 ASN H 4.000 . 5.000 3.999 3.178 4.381 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
134 1 14 LYS H 1 70 GLU HA 4.000 . 5.000 4.536 3.611 5.078 0.078 40 0 "[ . 1 . 2 . 3 . 4]" 1
135 1 14 LYS H 1 70 GLU QG 4.000 . 5.000 3.336 2.090 4.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
136 1 14 LYS H 1 73 LEU QD 3.000 . 3.500 3.111 2.303 3.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
137 1 14 LYS HA 1 73 LEU H 4.000 . 5.000 4.791 3.816 5.046 0.046 29 0 "[ . 1 . 2 . 3 . 4]" 1
138 1 14 LYS HA 1 73 LEU QD 4.000 . 5.000 1.883 1.672 2.274 0.128 29 0 "[ . 1 . 2 . 3 . 4]" 1
139 1 14 LYS HB2 1 15 SER H 3.000 . 3.500 3.209 2.429 3.628 0.128 29 0 "[ . 1 . 2 . 3 . 4]" 1
140 1 14 LYS HB2 1 72 ASP H 4.000 . 5.000 4.610 4.173 5.192 0.192 3 0 "[ . 1 . 2 . 3 . 4]" 1
141 1 14 LYS HB3 1 15 SER H 3.000 . 3.500 3.303 2.347 3.754 0.254 29 0 "[ . 1 . 2 . 3 . 4]" 1
142 1 14 LYS HD3 1 72 ASP H 4.000 . 5.000 3.691 2.496 4.278 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
143 1 14 LYS HG3 1 72 ASP H 4.000 . 5.000 3.926 3.448 4.552 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
144 1 14 LYS HG3 1 73 LEU H 3.000 . 3.500 3.529 3.150 3.785 0.285 27 0 "[ . 1 . 2 . 3 . 4]" 1
145 1 15 SER H 1 15 SER HA 3.000 . 3.500 2.987 2.904 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
146 1 15 SER H 1 15 SER HB2 3.000 . 3.500 2.489 2.105 3.511 0.011 1 0 "[ . 1 . 2 . 3 . 4]" 1
147 1 15 SER H 1 15 SER HB3 3.000 . 3.500 3.028 2.165 3.535 0.035 34 0 "[ . 1 . 2 . 3 . 4]" 1
148 1 15 SER H 1 16 ASN H 3.000 . 3.500 2.266 1.886 2.655 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
149 1 15 SER H 1 16 ASN HA 4.000 . 5.000 4.873 4.615 5.234 0.234 29 0 "[ . 1 . 2 . 3 . 4]" 1
150 1 15 SER H 1 17 PHE H 4.000 . 5.000 3.988 3.475 4.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
151 1 15 SER H 1 73 LEU QD 4.000 . 5.000 4.076 3.430 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
152 1 15 SER HA 1 16 ASN H 4.000 . 5.000 3.365 3.174 3.564 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
153 1 15 SER HA 1 17 PHE H 4.000 . 5.000 4.209 3.605 4.713 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
154 1 15 SER HB2 1 16 ASN H 4.000 . 5.000 3.825 2.860 4.532 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
155 1 15 SER HB3 1 16 ASN H 3.000 . 3.500 3.525 2.845 3.981 0.481 1 0 "[ . 1 . 2 . 3 . 4]" 1
156 1 16 ASN H 1 16 ASN HA 3.000 . 3.500 2.963 2.838 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
157 1 16 ASN H 1 16 ASN HB2 4.000 . 5.000 2.679 1.934 3.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
158 1 16 ASN H 1 16 ASN HB3 4.000 . 5.000 3.129 2.387 3.691 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
159 1 16 ASN H 1 17 PHE H 3.000 . 3.500 2.214 1.910 2.735 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
160 1 16 ASN H 1 17 PHE HB2 4.000 . 5.000 4.212 3.737 4.852 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
161 1 16 ASN H 1 17 PHE HB3 4.000 . 5.000 4.485 4.074 5.011 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1
162 1 16 ASN H 1 18 ALA H 4.000 . 5.000 4.749 4.175 5.068 0.068 40 0 "[ . 1 . 2 . 3 . 4]" 1
163 1 16 ASN H 1 19 GLU H 4.000 . 5.000 3.761 3.445 4.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
164 1 16 ASN H 1 73 LEU QD 4.000 . 5.000 4.043 3.227 4.468 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
165 1 16 ASN HA 1 17 PHE H 3.000 . 3.500 3.423 2.999 3.535 0.035 35 0 "[ . 1 . 2 . 3 . 4]" 1
166 1 16 ASN HA 1 18 ALA H 4.000 . 5.000 4.865 4.344 5.030 0.030 3 0 "[ . 1 . 2 . 3 . 4]" 1
167 1 16 ASN HA 1 19 GLU H 3.000 . 3.500 3.395 3.170 3.518 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
168 1 16 ASN HA 1 19 GLU HB2 4.000 . 5.000 2.825 2.268 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
169 1 16 ASN HA 1 19 GLU HB3 4.000 . 5.000 2.497 2.097 3.097 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
170 1 16 ASN HA 1 20 ALA H 4.000 . 5.000 3.889 3.288 4.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
171 1 16 ASN HB2 1 17 PHE H 4.000 . 5.000 3.594 2.697 4.503 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
172 1 16 ASN O 1 20 ALA H 2.300 . 2.300 1.932 1.552 2.337 0.037 7 0 "[ . 1 . 2 . 3 . 4]" 1
173 1 16 ASN O 1 20 ALA N 3.300 2.400 3.300 2.895 2.517 3.311 0.011 29 0 "[ . 1 . 2 . 3 . 4]" 1
174 1 17 PHE H 1 17 PHE HA 3.000 . 3.500 2.837 2.783 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
175 1 17 PHE H 1 17 PHE HB2 3.000 . 3.500 2.352 2.208 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
176 1 17 PHE H 1 17 PHE HB3 3.000 . 3.500 2.523 2.310 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
177 1 17 PHE H 1 17 PHE QD 4.000 . 5.000 4.116 4.059 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
178 1 17 PHE H 1 18 ALA H 3.000 . 3.500 3.028 2.748 3.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
179 1 17 PHE H 1 73 LEU QD . . 3.500 3.247 2.853 3.433 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
180 1 17 PHE HA 1 18 ALA H 3.000 . 3.500 2.727 2.702 2.756 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
181 1 17 PHE HA 1 20 ALA H 3.000 . 3.500 3.252 3.111 3.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
182 1 17 PHE HA 1 21 LEU H 3.000 . 3.500 3.389 3.173 3.532 0.032 33 0 "[ . 1 . 2 . 3 . 4]" 1
183 1 17 PHE HA 1 20 ALA MB 4.000 . 5.000 3.219 2.594 3.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
184 1 17 PHE HB2 1 18 ALA H 3.000 . 3.500 3.513 3.448 3.596 0.096 23 0 "[ . 1 . 2 . 3 . 4]" 1
185 1 17 PHE HB2 1 73 LEU QD 4.000 . 5.000 1.999 1.770 2.315 0.030 12 0 "[ . 1 . 2 . 3 . 4]" 1
186 1 17 PHE HB3 1 18 ALA H 3.000 . 3.500 1.988 1.923 2.102 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
187 1 17 PHE QD 1 18 ALA H 3.000 . 3.500 2.726 2.510 3.339 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
188 1 17 PHE QD 1 19 GLU H 4.000 . 5.000 4.656 4.476 5.047 0.047 39 0 "[ . 1 . 2 . 3 . 4]" 1
189 1 17 PHE QD 1 21 LEU H 4.000 . 5.000 4.784 4.402 5.016 0.016 9 0 "[ . 1 . 2 . 3 . 4]" 1
190 1 17 PHE QD 1 21 LEU QD 4.000 . 5.000 2.800 1.953 3.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
191 1 17 PHE QD 1 29 VAL QG 4.000 . 5.000 3.068 2.324 3.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
192 1 17 PHE QE 1 18 ALA H 4.000 . 5.000 4.993 4.853 5.091 0.091 20 0 "[ . 1 . 2 . 3 . 4]" 1
193 1 17 PHE QE 1 21 LEU QD 3.000 . 3.500 2.311 1.802 2.875 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
194 1 17 PHE QE 1 29 VAL QG 3.000 . 3.500 2.510 1.854 3.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
195 1 17 PHE HZ 1 21 LEU QD 4.000 . 5.000 3.056 2.382 3.768 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
196 1 17 PHE HZ 1 29 VAL QG 4.000 . 5.000 3.668 2.118 4.534 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
197 1 18 ALA H 1 18 ALA HA 3.000 . 3.500 2.828 2.797 2.866 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
198 1 18 ALA H 1 18 ALA MB 3.000 . 3.500 2.059 1.919 2.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
199 1 18 ALA H 1 19 GLU H 3.000 . 3.500 2.749 2.684 2.807 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
200 1 18 ALA H 1 19 GLU HB2 4.000 . 5.000 4.855 4.674 5.008 0.008 1 0 "[ . 1 . 2 . 3 . 4]" 1
201 1 18 ALA H 1 19 GLU HB3 4.000 . 5.000 5.016 4.919 5.056 0.056 33 0 "[ . 1 . 2 . 3 . 4]" 1
202 1 18 ALA H 1 20 ALA H 4.000 . 5.000 4.837 4.474 5.023 0.023 39 0 "[ . 1 . 2 . 3 . 4]" 1
203 1 18 ALA H 1 21 LEU QD 4.000 . 5.000 4.336 3.784 4.702 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
204 1 18 ALA HA 1 19 GLU H 3.000 . 3.500 2.767 2.711 2.805 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
205 1 18 ALA HA 1 20 ALA H 3.000 . 3.500 3.505 3.458 3.529 0.029 1 0 "[ . 1 . 2 . 3 . 4]" 1
206 1 18 ALA HA 1 22 ALA H 3.000 . 3.500 3.415 3.214 3.535 0.035 9 0 "[ . 1 . 2 . 3 . 4]" 1
207 1 18 ALA HA 1 21 LEU HB2 4.000 . 5.000 2.812 2.143 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
208 1 18 ALA HA 1 21 LEU HB3 4.000 . 5.000 3.976 3.192 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
209 1 18 ALA HA 1 21 LEU QD 4.000 . 5.000 3.095 1.983 3.895 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
210 1 18 ALA MB 1 19 GLU H 3.000 . 3.500 2.841 2.436 3.037 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
211 1 18 ALA MB 1 21 LEU QD 4.000 . 5.000 4.105 2.975 4.709 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
212 1 19 GLU H 1 19 GLU HB2 3.000 . 3.500 2.416 2.244 2.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
213 1 19 GLU H 1 19 GLU HB3 3.000 . 3.500 2.483 2.414 2.616 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
214 1 19 GLU H 1 20 ALA H 3.000 . 3.500 2.726 2.458 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
215 1 19 GLU H 1 20 ALA MB 4.000 . 5.000 4.122 3.841 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
216 1 19 GLU H 1 21 LEU H 4.000 . 5.000 3.908 3.539 4.249 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
217 1 19 GLU H 1 21 LEU HG 4.000 . 5.000 4.963 4.032 5.164 0.164 17 0 "[ . 1 . 2 . 3 . 4]" 1
218 1 19 GLU H 1 22 ALA H 4.000 . 5.000 4.772 4.452 5.006 0.006 12 0 "[ . 1 . 2 . 3 . 4]" 1
219 1 19 GLU HA 1 22 ALA MB 3.000 . 3.500 3.115 2.591 3.535 0.035 24 0 "[ . 1 . 2 . 3 . 4]" 1
220 1 19 GLU HA 1 23 ALA H 4.000 . 5.000 4.267 2.912 5.008 0.008 20 0 "[ . 1 . 2 . 3 . 4]" 1
221 1 19 GLU HB2 1 20 ALA H 3.000 . 3.500 3.535 3.471 3.595 0.095 12 0 "[ . 1 . 2 . 3 . 4]" 1
222 1 19 GLU HB3 1 20 ALA H 3.000 . 3.500 2.074 1.950 2.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
223 1 19 GLU QG 1 20 ALA H 3.000 . 3.500 3.345 3.021 4.000 0.500 3 0 "[ . 1 . 2 . 3 . 4]" 1
224 1 19 GLU QG 1 22 ALA H 4.000 . 5.000 4.953 4.538 5.485 0.485 3 0 "[ . 1 . 2 . 3 . 4]" 1
225 1 19 GLU QG 1 23 ALA H 4.000 . 5.000 4.422 3.350 5.082 0.082 3 0 "[ . 1 . 2 . 3 . 4]" 1
226 1 20 ALA H 1 20 ALA HA 3.000 . 3.500 2.805 2.774 2.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
227 1 20 ALA H 1 20 ALA MB 3.000 . 3.500 1.992 1.914 2.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
228 1 20 ALA H 1 21 LEU H 3.000 . 3.500 2.850 2.674 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
229 1 20 ALA H 1 21 LEU HB2 4.000 . 5.000 4.427 4.130 4.796 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
230 1 20 ALA H 1 21 LEU QD 4.000 . 5.000 4.028 3.646 4.743 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
231 1 20 ALA H 1 22 ALA H 4.000 . 5.000 4.495 4.122 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
232 1 20 ALA H 1 23 ALA H 4.000 . 5.000 4.742 4.416 5.023 0.023 13 0 "[ . 1 . 2 . 3 . 4]" 1
233 1 20 ALA H 1 23 ALA MB 4.000 . 5.000 4.014 3.593 4.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
234 1 20 ALA HA 1 21 LEU H 3.000 . 3.500 3.549 3.508 3.581 0.081 11 0 "[ . 1 . 2 . 3 . 4]" 1
235 1 20 ALA HA 1 22 ALA H 4.000 . 5.000 4.644 3.973 5.057 0.057 12 0 "[ . 1 . 2 . 3 . 4]" 1
236 1 20 ALA HA 1 23 ALA H 4.000 . 5.000 3.479 3.058 4.393 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
237 1 20 ALA HA 1 23 ALA MB 4.000 . 5.000 2.207 1.836 3.098 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
238 1 20 ALA HA 1 24 HIS H 4.000 . 5.000 4.043 3.280 5.027 0.027 18 0 "[ . 1 . 2 . 3 . 4]" 1
239 1 20 ALA MB 1 21 LEU H 3.000 . 3.500 2.551 2.213 2.834 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
240 1 20 ALA MB 1 27 LEU QD 4.000 . 5.000 2.351 1.750 3.918 0.050 1 0 "[ . 1 . 2 . 3 . 4]" 1
241 1 21 LEU H 1 21 LEU HA 3.000 . 3.500 2.859 2.801 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
242 1 21 LEU H 1 21 LEU HB2 3.000 . 3.500 2.119 1.938 2.556 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
243 1 21 LEU H 1 21 LEU HB3 3.000 . 3.500 3.400 3.129 3.556 0.056 29 0 "[ . 1 . 2 . 3 . 4]" 1
244 1 21 LEU H 1 21 LEU QD 3.000 . 3.500 2.538 1.918 3.136 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
245 1 21 LEU H 1 22 ALA H 3.000 . 3.500 2.756 2.544 2.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
246 1 21 LEU HA 1 22 ALA H 3.000 . 3.500 3.563 3.524 3.578 0.078 36 0 "[ . 1 . 2 . 3 . 4]" 1
247 1 21 LEU HA 1 24 HIS H 4.000 . 5.000 4.325 3.549 5.007 0.007 20 0 "[ . 1 . 2 . 3 . 4]" 1
248 1 21 LEU HA 1 27 LEU QD 4.000 . 5.000 2.983 1.879 4.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
249 1 21 LEU HB2 1 22 ALA H 3.000 . 3.500 2.655 2.184 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
250 1 21 LEU HB2 1 91 GLY H 4.000 . 5.000 4.299 3.132 4.855 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
251 1 21 LEU HB2 1 91 GLY H 4.000 . 5.000 4.510 3.166 5.015 0.015 5 0 "[ . 1 . 2 . 3 . 4]" 1
252 1 21 LEU HB3 1 22 ALA H 3.000 . 3.500 3.064 2.121 3.529 0.029 7 0 "[ . 1 . 2 . 3 . 4]" 1
253 1 21 LEU HB3 1 91 GLY H 3.000 . 3.500 3.003 1.892 3.557 0.057 37 0 "[ . 1 . 2 . 3 . 4]" 1
254 1 21 LEU QD 1 22 ALA H 4.000 . 5.000 3.867 3.481 4.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
255 1 21 LEU QD 1 22 ALA H 4.000 . 5.000 3.726 3.414 3.871 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
256 1 21 LEU QD 1 23 ALA H 4.000 . 5.000 3.968 2.989 4.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
257 1 21 LEU QD 1 88 PHE H 4.000 . 5.000 3.804 3.343 4.085 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
258 1 21 LEU QD 1 91 GLY H 4.000 . 5.000 2.819 1.963 3.658 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
259 1 21 LEU QD 1 88 PHE H 4.000 . 5.000 4.082 3.421 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
260 1 21 LEU QD 1 88 PHE HB2 4.000 . 5.000 2.440 1.778 3.015 0.022 15 0 "[ . 1 . 2 . 3 . 4]" 1
261 1 21 LEU QD 1 88 PHE HB3 4.000 . 5.000 1.948 1.714 2.436 0.086 18 0 "[ . 1 . 2 . 3 . 4]" 1
262 1 21 LEU QD 1 88 PHE QD 3.000 . 3.500 2.207 1.798 2.972 0.002 17 0 "[ . 1 . 2 . 3 . 4]" 1
263 1 21 LEU QD 1 88 PHE QE 4.000 . 5.000 3.237 2.500 4.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
264 1 21 LEU QD 1 91 GLY H 4.000 . 5.000 2.873 1.964 3.731 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
265 1 21 LEU QD 1 92 ASP H 4.000 . 5.000 2.450 1.791 4.225 0.009 33 0 "[ . 1 . 2 . 3 . 4]" 1
266 1 21 LEU QD 1 93 THR H 4.000 . 5.000 3.094 2.544 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
267 1 21 LEU QD 1 93 THR MG 4.000 . 5.000 2.866 1.809 4.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
268 1 22 ALA H 1 22 ALA HA 3.000 . 3.500 2.924 2.808 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
269 1 22 ALA H 1 22 ALA MB 3.000 . 3.500 2.095 1.923 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
270 1 22 ALA H 1 23 ALA H 3.000 . 3.500 2.556 2.114 2.880 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
271 1 22 ALA H 1 91 GLY QA 4.000 . 5.000 4.090 3.262 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
272 1 22 ALA HA 1 24 HIS H 4.000 . 5.000 3.450 3.172 3.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
273 1 22 ALA MB 1 23 ALA H 3.000 . 3.500 3.023 2.088 3.526 0.026 22 0 "[ . 1 . 2 . 3 . 4]" 1
274 1 22 ALA MB 1 24 HIS H 4.000 . 5.000 4.596 4.210 4.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
275 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.895 2.785 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
276 1 23 ALA H 1 23 ALA MB 3.000 . 3.500 2.123 1.916 2.424 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
277 1 23 ALA H 1 24 HIS H 3.000 . 3.500 2.678 1.938 3.407 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
278 1 23 ALA HA 1 24 HIS H 4.000 . 5.000 3.570 3.463 3.605 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
279 1 23 ALA MB 1 24 HIS H 3.000 . 3.500 2.295 1.922 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
280 1 24 HIS H 1 24 HIS HA 3.000 . 3.500 2.993 2.918 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
281 1 24 HIS H 1 24 HIS HB2 4.000 . 5.000 2.400 2.064 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
282 1 24 HIS H 1 24 HIS HB3 3.000 . 3.500 3.443 2.925 3.826 0.326 31 0 "[ . 1 . 2 . 3 . 4]" 1
283 1 24 HIS H 1 25 LYS H 4.000 . 5.000 4.270 2.536 4.586 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
284 1 24 HIS H 1 27 LEU HB3 4.000 . 5.000 4.084 3.320 5.571 0.571 8 1 "[ . + 1 . 2 . 3 . 4]" 1
285 1 24 HIS H 1 27 LEU QD 4.000 . 5.000 2.831 1.905 3.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
286 1 24 HIS HA 1 25 LYS H 3.000 . 3.500 2.635 2.218 3.537 0.037 37 0 "[ . 1 . 2 . 3 . 4]" 1
287 1 24 HIS HB3 1 26 TYR H 4.000 . 5.000 3.895 2.474 4.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
288 1 24 HIS HD2 1 26 TYR H 4.000 . 5.000 4.285 3.707 4.531 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
289 1 25 LYS H 1 90 ASN H 4.000 . 5.000 4.256 3.643 4.777 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
290 1 25 LYS HA 1 26 TYR H 4.000 . 5.000 3.570 3.526 3.599 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
291 1 25 LYS HA 1 90 ASN H 3.000 . 3.500 2.698 1.960 3.519 0.019 29 0 "[ . 1 . 2 . 3 . 4]" 1
292 1 25 LYS HA 1 90 ASN HA 4.000 . 5.000 2.697 1.982 4.204 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
293 1 25 LYS HA 1 90 ASN HB2 4.000 . 5.000 3.105 1.926 4.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
294 1 25 LYS HA 1 90 ASN HB3 4.000 . 5.000 4.255 1.916 5.019 0.019 7 0 "[ . 1 . 2 . 3 . 4]" 1
295 1 25 LYS HB2 1 26 TYR H 3.000 . 3.500 2.588 1.938 3.503 0.003 10 0 "[ . 1 . 2 . 3 . 4]" 1
296 1 25 LYS HB2 1 90 ASN H 3.000 . 3.500 3.214 1.934 4.052 0.552 33 4 "[ . 1 *. 2 . 3 *+ . -4]" 1
297 1 25 LYS HB3 1 26 TYR H 3.000 . 3.500 2.365 1.916 3.542 0.042 37 0 "[ . 1 . 2 . 3 . 4]" 1
298 1 25 LYS QE 1 26 TYR H 4.000 . 5.000 4.531 3.542 5.018 0.018 13 0 "[ . 1 . 2 . 3 . 4]" 1
299 1 25 LYS QG 1 26 TYR H 4.000 . 5.000 3.791 1.941 4.380 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
300 1 25 LYS QG 1 26 TYR H 4.000 . 5.000 3.745 1.941 4.250 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
301 1 25 LYS QG 1 90 ASN H 4.000 . 5.000 3.949 2.905 4.833 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
302 1 26 TYR H 1 26 TYR HB2 4.000 . 5.000 2.364 2.009 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
303 1 26 TYR H 1 26 TYR HB3 4.000 . 5.000 3.549 3.382 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
304 1 26 TYR H 1 26 TYR QD 4.000 . 5.000 2.976 2.383 3.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
305 1 26 TYR H 1 26 TYR QE 4.000 . 5.000 4.497 4.231 4.961 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
306 1 26 TYR H 1 27 LEU HB2 4.000 . 5.000 4.705 4.119 4.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
307 1 26 TYR H 1 27 LEU QD 4.000 . 5.000 3.881 2.786 4.882 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
308 1 26 TYR H 1 59 GLU QG 4.000 . 5.000 4.666 3.238 5.908 0.908 28 4 "[ - 1 . 2 .* + 3* . 4]" 1
309 1 26 TYR H 1 60 ILE HA 4.000 . 5.000 3.544 2.393 4.324 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
310 1 26 TYR H 1 61 ARG H 4.000 . 5.000 4.794 4.134 5.073 0.073 32 0 "[ . 1 . 2 . 3 . 4]" 1
311 1 26 TYR H 1 87 PHE QE 4.000 . 5.000 4.947 4.571 5.043 0.043 36 0 "[ . 1 . 2 . 3 . 4]" 1
312 1 26 TYR H 1 90 ASN H 4.000 . 5.000 4.572 3.842 5.067 0.067 17 0 "[ . 1 . 2 . 3 . 4]" 1
313 1 26 TYR HA 1 27 LEU H 3.000 . 3.500 2.247 2.201 2.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
314 1 26 TYR QB 1 27 LEU H 4.000 . 5.000 3.553 2.801 3.803 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
315 1 26 TYR HB2 1 61 ARG H 3.000 . 3.500 3.370 3.115 4.059 0.559 12 1 "[ . 1 + . 2 . 3 . 4]" 1
316 1 26 TYR HB3 1 61 ARG H 4.000 . 5.000 3.828 2.970 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
317 1 26 TYR QD 1 27 LEU H 4.000 . 5.000 4.103 3.445 4.448 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
318 1 26 TYR QD 1 60 ILE H 4.000 . 5.000 4.469 3.510 5.190 0.190 10 0 "[ . 1 . 2 . 3 . 4]" 1
319 1 26 TYR QD 1 61 ARG H 4.000 . 5.000 5.003 4.691 5.126 0.126 10 0 "[ . 1 . 2 . 3 . 4]" 1
320 1 26 TYR QD 1 89 ARG HA 4.000 . 5.000 3.148 2.127 4.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
321 1 26 TYR QD 1 90 ASN H 4.000 . 5.000 4.403 3.296 4.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
322 1 26 TYR QD 1 116 THR MG 4.000 . 5.000 4.420 3.143 5.027 0.027 25 0 "[ . 1 . 2 . 3 . 4]" 1
323 1 26 TYR QE 1 89 ARG HA 4.000 . 5.000 4.523 3.423 5.028 0.028 7 0 "[ . 1 . 2 . 3 . 4]" 1
324 1 26 TYR QE 1 116 THR MG 4.000 . 5.000 3.455 2.200 4.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
325 1 27 LEU H 1 27 LEU HB2 4.000 . 5.000 2.519 2.257 2.945 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
326 1 27 LEU H 1 27 LEU HB3 4.000 . 5.000 3.266 2.680 3.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
327 1 27 LEU H 1 28 LEU H 4.000 . 5.000 4.249 4.029 4.489 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
328 1 27 LEU H 1 88 PHE H 3.000 . 3.500 3.403 2.991 3.535 0.035 4 0 "[ . 1 . 2 . 3 . 4]" 1
329 1 27 LEU H 1 88 PHE O 2.300 . 2.300 2.074 1.719 2.326 0.026 1 0 "[ . 1 . 2 . 3 . 4]" 1
330 1 27 LEU HA 1 28 LEU H 2.000 . 2.500 2.215 2.184 2.248 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
331 1 27 LEU HA 1 28 LEU H 3.000 . 3.500 2.157 2.132 2.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
332 1 27 LEU HA 1 63 ALA H 4.000 . 5.000 4.489 4.094 4.867 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
333 1 27 LEU HA 1 61 ARG H 3.000 . 3.500 3.218 2.756 3.478 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
334 1 27 LEU HB2 1 28 LEU H 4.000 . 5.000 4.529 4.293 4.654 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
335 1 27 LEU HB2 1 88 PHE H 4.000 . 5.000 4.439 3.471 5.067 0.067 9 0 "[ . 1 . 2 . 3 . 4]" 1
336 1 27 LEU HB2 1 88 PHE H 4.000 . 5.000 4.265 3.430 4.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
337 1 27 LEU HB2 1 90 ASN H 4.000 . 5.000 3.849 3.103 4.264 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
338 1 27 LEU HB3 1 28 LEU H 4.000 . 5.000 3.566 2.439 3.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
339 1 27 LEU HB3 1 88 PHE H 4.000 . 5.000 3.994 3.465 4.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
340 1 27 LEU HB3 1 88 PHE H 4.000 . 5.000 4.057 3.501 5.027 0.027 26 0 "[ . 1 . 2 . 3 . 4]" 1
341 1 27 LEU QD 1 28 LEU H 3.000 . 3.500 2.889 2.045 3.432 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
342 1 27 LEU QD 1 61 ARG H 3.000 . 3.500 3.327 2.930 3.537 0.037 40 0 "[ . 1 . 2 . 3 . 4]" 1
343 1 27 LEU QD 1 88 PHE H 4.000 . 5.000 4.646 4.175 4.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
344 1 27 LEU HG 1 29 VAL QG 4.000 . 5.000 4.521 2.939 5.073 0.073 11 0 "[ . 1 . 2 . 3 . 4]" 1
345 1 27 LEU N 1 88 PHE O 3.300 2.400 3.300 3.013 2.667 3.276 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
346 1 27 LEU O 1 88 PHE H 2.300 . 2.300 1.956 1.580 2.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
347 1 27 LEU O 1 88 PHE N 3.300 2.400 3.300 2.896 2.559 3.175 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
348 1 28 LEU H 1 28 LEU HB2 4.000 . 5.000 2.413 2.039 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
349 1 28 LEU H 1 28 LEU HB3 3.000 . 3.500 2.758 2.378 3.610 0.110 22 0 "[ . 1 . 2 . 3 . 4]" 1
350 1 28 LEU H 1 28 LEU QD 4.000 . 5.000 3.438 1.816 3.765 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
351 1 28 LEU H 1 29 VAL H 4.000 . 5.000 4.548 4.374 4.652 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
352 1 28 LEU H 1 61 ARG H 4.000 . 5.000 3.808 3.014 4.246 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
353 1 28 LEU H 1 61 ARG HA 4.000 . 5.000 4.980 4.603 5.117 0.117 22 0 "[ . 1 . 2 . 3 . 4]" 1
354 1 28 LEU H 1 61 ARG O 2.300 . 2.300 1.939 1.607 2.213 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
355 1 28 LEU H 1 62 LEU HA 3.000 . 3.500 2.646 2.005 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
356 1 28 LEU H 1 62 LEU HB2 4.000 . 5.000 4.275 3.541 5.028 0.028 22 0 "[ . 1 . 2 . 3 . 4]" 1
357 1 28 LEU H 1 63 ALA H 4.000 . 5.000 3.911 3.208 4.580 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
358 1 28 LEU H 1 85 ILE MG 4.000 . 5.000 4.574 3.996 4.925 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
359 1 28 LEU HA 1 29 VAL H 2.000 . 2.500 2.249 2.201 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
360 1 28 LEU HA 1 87 PHE HA 3.000 . 3.500 2.386 1.999 2.663 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
361 1 28 LEU HA 1 88 PHE H 3.000 . 3.500 3.105 2.667 3.512 0.012 15 0 "[ . 1 . 2 . 3 . 4]" 1
362 1 28 LEU HB2 1 29 VAL H 4.000 . 5.000 4.383 3.963 4.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
363 1 28 LEU HB2 1 63 ALA H 4.000 . 5.000 4.180 2.190 5.145 0.145 12 0 "[ . 1 . 2 . 3 . 4]" 1
364 1 28 LEU HB3 1 29 VAL H 4.000 . 5.000 3.861 2.883 4.335 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
365 1 28 LEU QD 1 29 VAL H 3.000 . 3.500 2.366 1.784 3.316 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1
366 1 28 LEU QD 1 63 ALA H . . 3.500 3.345 2.640 3.555 0.055 22 0 "[ . 1 . 2 . 3 . 4]" 1
367 1 28 LEU QD 1 86 LYS H 4.000 . 5.000 3.144 2.655 4.481 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
368 1 28 LEU QD 1 87 PHE H 4.000 . 5.000 3.720 3.264 4.149 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
369 1 28 LEU QD 1 87 PHE HA 4.000 . 5.000 1.999 1.877 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
370 1 28 LEU QD 1 88 PHE H 3.000 . 3.500 3.486 3.372 3.612 0.112 26 0 "[ . 1 . 2 . 3 . 4]" 1
371 1 28 LEU QD 1 108 ILE MD 4.000 . 5.000 3.637 3.005 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
372 1 28 LEU QD 1 111 TRP HZ3 4.000 . 5.000 4.232 2.408 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
373 1 28 LEU HG 1 29 VAL H 4.000 . 5.000 3.907 1.979 5.017 0.017 22 0 "[ . 1 . 2 . 3 . 4]" 1
374 1 28 LEU HG 1 63 ALA H 4.000 . 5.000 4.450 3.565 4.997 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
375 1 28 LEU N 1 61 ARG O 3.300 2.400 3.300 2.856 2.541 3.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
376 1 28 LEU O 1 63 ALA H 2.300 . 2.300 2.092 1.694 2.312 0.012 18 0 "[ . 1 . 2 . 3 . 4]" 1
377 1 28 LEU O 1 63 ALA N 3.300 2.400 3.300 2.567 2.482 2.774 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
378 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.988 2.940 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
379 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.802 2.500 3.441 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
380 1 29 VAL H 1 29 VAL QG 3.000 . 3.500 2.489 1.954 2.773 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
381 1 29 VAL H 1 30 GLU H 4.000 . 5.000 4.335 3.987 4.538 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
382 1 29 VAL H 1 86 LYS H 3.000 . 3.500 3.234 2.753 3.522 0.022 36 0 "[ . 1 . 2 . 3 . 4]" 1
383 1 29 VAL H 1 86 LYS O 2.300 . 2.300 2.085 1.664 2.334 0.034 12 0 "[ . 1 . 2 . 3 . 4]" 1
384 1 29 VAL H 1 87 PHE HA 3.000 . 3.500 3.322 2.888 3.540 0.040 5 0 "[ . 1 . 2 . 3 . 4]" 1
385 1 29 VAL HA 1 30 GLU H 2.000 . 2.500 2.231 2.186 2.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
386 1 29 VAL HA 1 63 ALA H 3.000 . 3.500 3.212 2.580 3.587 0.087 22 0 "[ . 1 . 2 . 3 . 4]" 1
387 1 29 VAL HA 1 63 ALA MB 4.000 . 5.000 2.409 2.021 2.949 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
388 1 29 VAL HA 1 64 LYS H 4.000 . 5.000 4.035 3.678 4.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
389 1 29 VAL HB 1 30 GLU H 4.000 . 5.000 4.161 3.830 4.331 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
390 1 29 VAL QG 1 30 GLU H . . 3.500 2.589 2.055 3.048 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
391 1 29 VAL QG 1 63 ALA H 4.000 . 5.000 4.078 3.646 4.444 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
392 1 29 VAL QG 1 63 ALA MB 4.000 . 5.000 2.358 1.902 3.221 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
393 1 29 VAL QG 1 64 LYS H 4.000 . 5.000 4.091 3.567 4.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
394 1 29 VAL QG 1 65 VAL QG 3.000 . 3.500 1.961 1.765 2.792 0.035 38 0 "[ . 1 . 2 . 3 . 4]" 1
395 1 29 VAL QG 1 86 LYS H 4.000 . 5.000 3.980 2.844 4.548 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
396 1 29 VAL QG 1 88 PHE H 4.000 . 5.000 3.769 3.300 4.269 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
397 1 29 VAL N 1 86 LYS O 3.300 2.400 3.300 3.032 2.540 3.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
398 1 29 VAL O 1 86 LYS H 2.300 . 2.300 1.989 1.575 2.329 0.029 35 0 "[ . 1 . 2 . 3 . 4]" 1
399 1 29 VAL O 1 86 LYS N 3.300 2.400 3.300 2.883 2.523 3.206 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
400 1 30 GLU H 1 30 GLU HA 3.000 . 3.500 3.000 2.989 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
401 1 30 GLU H 1 30 GLU HB2 3.000 . 3.500 3.038 2.642 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
402 1 30 GLU H 1 30 GLU HB3 3.000 . 3.500 2.425 2.291 2.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
403 1 30 GLU H 1 31 PHE H 4.000 . 5.000 4.425 4.201 4.560 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
404 1 30 GLU H 1 46 TYR QE 4.000 . 5.000 4.575 3.937 5.020 0.020 10 0 "[ . 1 . 2 . 3 . 4]" 1
405 1 30 GLU H 1 63 ALA H 4.000 . 5.000 4.339 4.061 4.603 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
406 1 30 GLU H 1 63 ALA O 2.300 . 2.300 2.319 2.157 2.404 0.104 18 0 "[ . 1 . 2 . 3 . 4]" 1
407 1 30 GLU H 1 64 LYS HA 2.000 . 2.500 1.956 1.841 2.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
408 1 30 GLU H 1 65 VAL H 3.000 . 3.500 3.514 3.337 3.604 0.104 18 0 "[ . 1 . 2 . 3 . 4]" 1
409 1 30 GLU H 1 65 VAL QG 3.000 . 3.500 3.359 2.939 3.542 0.042 18 0 "[ . 1 . 2 . 3 . 4]" 1
410 1 30 GLU HA 1 31 PHE H 3.000 . 3.500 2.251 2.199 2.365 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
411 1 30 GLU HA 1 85 ILE HA 3.000 . 3.500 2.067 1.909 2.465 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
412 1 30 GLU HA 1 86 LYS H 3.000 . 3.500 3.151 2.539 3.539 0.039 21 0 "[ . 1 . 2 . 3 . 4]" 1
413 1 30 GLU HB2 1 31 PHE H 4.000 . 5.000 4.218 3.905 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
414 1 30 GLU HB2 1 31 PHE H 4.000 . 5.000 4.112 3.777 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
415 1 30 GLU HB2 1 86 LYS H 4.000 . 5.000 4.346 3.513 5.026 0.026 30 0 "[ . 1 . 2 . 3 . 4]" 1
416 1 30 GLU HB3 1 31 PHE H 4.000 . 5.000 4.212 3.894 4.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
417 1 30 GLU HG2 1 31 PHE H 3.000 . 3.500 3.150 2.187 4.439 0.939 15 3 "[ . 1 + *2 . 3 - 4]" 1
418 1 30 GLU HG3 1 31 PHE H 3.000 . 3.500 3.041 2.100 4.443 0.943 19 2 "[ . 1 - +2 . 3 . 4]" 1
419 1 30 GLU HG3 1 84 THR H 3.000 . 3.500 3.476 2.790 4.029 0.529 15 1 "[ . 1 + 2 . 3 . 4]" 1
420 1 30 GLU HG3 1 85 ILE H 4.000 . 5.000 4.126 3.127 5.630 0.630 19 2 "[ . 1 - +2 . 3 . 4]" 1
421 1 30 GLU N 1 63 ALA O 3.300 2.400 3.300 3.052 2.663 3.267 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
422 1 30 GLU O 1 65 VAL H 2.300 . 2.300 1.810 1.568 2.087 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
423 1 30 GLU O 1 65 VAL N 3.300 2.400 3.300 2.607 2.501 3.023 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
424 1 31 PHE H 1 31 PHE HB2 3.000 . 3.500 2.272 2.156 2.456 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
425 1 31 PHE H 1 31 PHE HB3 3.000 . 3.500 3.556 3.485 3.657 0.157 18 0 "[ . 1 . 2 . 3 . 4]" 1
426 1 31 PHE H 1 31 PHE QD 3.000 . 3.500 2.457 1.937 3.043 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
427 1 31 PHE H 1 31 PHE QE 4.000 . 5.000 4.621 4.213 5.028 0.028 8 0 "[ . 1 . 2 . 3 . 4]" 1
428 1 31 PHE H 1 32 TYR H 4.000 . 5.000 4.344 4.047 4.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
429 1 31 PHE H 1 84 THR H 3.000 . 3.500 3.123 2.633 3.513 0.013 5 0 "[ . 1 . 2 . 3 . 4]" 1
430 1 31 PHE H 1 84 THR O 2.300 . 2.300 1.915 1.609 2.316 0.016 35 0 "[ . 1 . 2 . 3 . 4]" 1
431 1 31 PHE H 1 85 ILE HA 3.000 . 3.500 3.349 2.804 3.561 0.061 36 0 "[ . 1 . 2 . 3 . 4]" 1
432 1 31 PHE H 1 85 ILE MD 4.000 . 5.000 3.749 3.175 4.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
433 1 31 PHE H 1 86 LYS H 4.000 . 5.000 4.718 4.287 5.007 0.007 12 0 "[ . 1 . 2 . 3 . 4]" 1
434 1 31 PHE HA 1 32 TYR H 2.000 . 2.500 2.243 2.211 2.307 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
435 1 31 PHE HA 1 65 VAL H 4.000 . 5.000 3.115 2.834 3.471 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
436 1 31 PHE HA 1 65 VAL HB 4.000 . 5.000 2.496 1.907 4.793 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
437 1 31 PHE HA 1 65 VAL QG 4.000 . 5.000 2.889 1.806 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
438 1 31 PHE HA 1 84 THR H 4.000 . 5.000 4.320 4.097 4.537 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
439 1 31 PHE HB2 1 32 TYR H 4.000 . 5.000 4.471 4.338 4.567 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
440 1 31 PHE HB2 1 84 THR H 4.000 . 5.000 3.134 2.530 3.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
441 1 31 PHE HB2 1 84 THR HB 4.000 . 5.000 2.063 1.912 2.966 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
442 1 31 PHE HB3 1 32 TYR H 4.000 . 5.000 3.755 3.569 4.021 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
443 1 31 PHE HB3 1 84 THR H 3.000 . 3.500 3.285 2.389 3.725 0.225 39 0 "[ . 1 . 2 . 3 . 4]" 1
444 1 31 PHE HB3 1 84 THR HB 4.000 . 5.000 3.533 2.820 4.495 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
445 1 31 PHE QD 1 67 ALA MB 4.000 . 5.000 3.779 2.841 4.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
446 1 31 PHE QD 1 79 VAL QG 4.000 . 5.000 3.180 2.396 3.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
447 1 31 PHE QD 1 84 THR H 4.000 . 5.000 4.533 4.172 4.791 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
448 1 31 PHE QD 1 84 THR H 4.000 . 5.000 4.703 4.283 5.027 0.027 30 0 "[ . 1 . 2 . 3 . 4]" 1
449 1 31 PHE QE 1 73 LEU QD 4.000 . 5.000 2.997 1.951 3.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
450 1 31 PHE QE 1 74 ALA HA 4.000 . 5.000 3.245 2.123 4.406 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
451 1 31 PHE QE 1 79 VAL QG 4.000 . 5.000 3.820 3.181 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
452 1 31 PHE QE 1 73 LEU H 4.000 . 5.000 4.473 3.704 5.009 0.009 2 0 "[ . 1 . 2 . 3 . 4]" 1
453 1 31 PHE QE 1 86 LYS H 4.000 . 5.000 4.720 3.928 5.032 0.032 16 0 "[ . 1 . 2 . 3 . 4]" 1
454 1 31 PHE N 1 84 THR O 3.300 2.400 3.300 2.843 2.550 3.262 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
455 1 32 TYR H 1 32 TYR HA 3.000 . 3.500 2.977 2.925 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
456 1 32 TYR H 1 32 TYR HB3 4.000 . 5.000 3.116 2.882 3.316 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
457 1 32 TYR H 1 32 TYR QD 3.000 . 3.500 2.189 1.916 2.919 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
458 1 32 TYR H 1 33 ALA H 4.000 . 5.000 4.424 4.306 4.501 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
459 1 32 TYR H 1 65 VAL H 3.000 . 3.500 3.495 3.028 3.572 0.072 34 0 "[ . 1 . 2 . 3 . 4]" 1
460 1 32 TYR H 1 65 VAL QG 4.000 . 5.000 3.756 2.925 4.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
461 1 32 TYR H 1 65 VAL O 2.300 . 2.300 2.125 1.742 2.316 0.016 24 0 "[ . 1 . 2 . 3 . 4]" 1
462 1 32 TYR H 1 66 ASP HA 3.000 . 3.500 3.494 3.280 3.567 0.067 26 0 "[ . 1 . 2 . 3 . 4]" 1
463 1 32 TYR H 1 67 ALA H 3.000 . 3.500 2.811 2.462 3.044 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
464 1 32 TYR H 1 67 ALA MB 3.000 . 3.500 3.381 2.900 3.533 0.033 34 0 "[ . 1 . 2 . 3 . 4]" 1
465 1 32 TYR HA 1 33 ALA H 3.000 . 3.500 2.597 2.442 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
466 1 32 TYR HA 1 82 TYR QD 4.000 . 5.000 2.991 1.881 3.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
467 1 32 TYR HA 1 83 PRO HA 4.000 . 5.000 3.068 2.738 3.539 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
468 1 32 TYR HA 1 84 THR H 4.000 . 5.000 3.920 3.533 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
469 1 32 TYR HB2 1 33 ALA H 3.000 . 3.500 2.359 2.015 2.697 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
470 1 32 TYR HB3 1 33 ALA H 4.000 . 5.000 3.795 3.557 4.033 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
471 1 32 TYR QD 1 33 ALA H 3.000 . 3.500 2.842 2.435 3.392 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
472 1 32 TYR QD 1 65 VAL H 3.000 . 3.500 2.768 2.184 3.546 0.046 18 0 "[ . 1 . 2 . 3 . 4]" 1
473 1 32 TYR QD 1 67 ALA H 4.000 . 5.000 4.449 3.975 4.726 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
474 1 32 TYR QE 1 33 ALA H 4.000 . 5.000 4.892 4.360 5.076 0.076 4 0 "[ . 1 . 2 . 3 . 4]" 1
475 1 32 TYR QE 1 64 LYS H 4.000 . 5.000 4.402 4.117 5.000 0.000 34 0 "[ . 1 . 2 . 3 . 4]" 1
476 1 32 TYR QE 1 65 VAL H 3.000 . 3.500 2.724 1.941 3.285 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
477 1 32 TYR N 1 65 VAL O 3.300 2.400 3.300 3.099 2.699 3.287 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
478 1 32 TYR O 1 67 ALA H 2.300 . 2.300 1.821 1.645 2.122 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
479 1 32 TYR O 1 67 ALA N 3.300 2.400 3.300 2.669 2.507 2.957 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
480 1 33 ALA H 1 33 ALA HA 3.000 . 3.500 2.997 2.951 3.008 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
481 1 33 ALA H 1 33 ALA MB 3.000 . 3.500 2.449 2.284 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
482 1 33 ALA H 1 36 CYS H 3.000 . 3.500 3.536 3.330 3.622 0.122 34 0 "[ . 1 . 2 . 3 . 4]" 1
483 1 33 ALA H 1 36 CYS HB2 3.000 . 3.500 2.440 1.954 3.523 0.023 16 0 "[ . 1 . 2 . 3 . 4]" 1
484 1 33 ALA H 1 36 CYS HB3 4.000 . 5.000 2.864 1.975 3.341 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
485 1 33 ALA H 1 39 CYS H 4.000 . 5.000 4.500 4.351 4.704 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
486 1 33 ALA H 1 39 CYS QB 3.000 . 3.500 3.053 2.806 3.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
487 1 33 ALA H 1 68 THR MG 4.000 . 5.000 4.903 4.303 5.057 0.057 6 0 "[ . 1 . 2 . 3 . 4]" 1
488 1 33 ALA H 1 82 TYR QB . . 3.500 3.229 2.926 3.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
489 1 33 ALA H 1 82 TYR QD 3.000 . 3.500 3.459 2.971 3.583 0.083 39 0 "[ . 1 . 2 . 3 . 4]" 1
490 1 33 ALA HA 1 34 PRO HD2 2.000 . 2.500 2.505 2.418 2.552 0.052 27 0 "[ . 1 . 2 . 3 . 4]" 1
491 1 33 ALA HA 1 34 PRO HD3 2.000 . 2.500 2.390 2.341 2.462 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
492 1 33 ALA HA 1 34 PRO QG 4.000 . 5.000 4.087 4.041 4.130 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
493 1 33 ALA HA 1 67 ALA H 3.000 . 3.500 3.465 3.254 3.578 0.078 25 0 "[ . 1 . 2 . 3 . 4]" 1
494 1 33 ALA HA 1 68 THR H 3.000 . 3.500 2.689 2.596 2.813 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
495 1 33 ALA HA 1 68 THR MG 3.000 . 3.500 2.667 2.206 3.491 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
496 1 33 ALA MB 1 34 PRO HD2 4.000 . 5.000 2.058 1.921 2.387 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
497 1 33 ALA MB 1 34 PRO HD3 4.000 . 5.000 3.252 3.138 3.449 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
498 1 33 ALA MB 1 35 TRP HE1 4.000 . 5.000 2.242 1.986 2.809 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
499 1 33 ALA MB 1 35 TRP HH2 4.000 . 5.000 4.668 4.072 5.086 0.086 26 0 "[ . 1 . 2 . 3 . 4]" 1
500 1 33 ALA MB 1 35 TRP HZ2 4.000 . 5.000 3.363 2.871 3.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
501 1 33 ALA MB 1 36 CYS H 2.000 . 2.500 2.450 2.251 2.531 0.031 25 0 "[ . 1 . 2 . 3 . 4]" 1
502 1 33 ALA MB 1 36 CYS HB2 4.000 . 5.000 2.760 2.087 4.167 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
503 1 33 ALA MB 1 36 CYS HB3 4.000 . 5.000 3.443 1.928 3.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
504 1 33 ALA MB 1 67 ALA H 4.000 . 5.000 3.974 3.419 4.326 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
505 1 33 ALA MB 1 68 THR H 4.000 . 5.000 3.355 2.455 3.685 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
506 1 33 ALA MB 1 68 THR MG 3.000 . 3.500 2.155 1.745 2.945 0.055 26 0 "[ . 1 . 2 . 3 . 4]" 1
507 1 33 ALA MB 1 82 TYR QD 4.000 . 5.000 2.644 1.979 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
508 1 33 ALA MB 1 82 TYR QE 4.000 . 5.000 2.805 2.104 3.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
509 1 34 PRO HD2 1 68 THR H 4.000 . 5.000 3.795 3.428 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
510 1 34 PRO HD2 1 68 THR MG 4.000 . 5.000 1.960 1.778 2.900 0.022 11 0 "[ . 1 . 2 . 3 . 4]" 1
511 1 34 PRO HD3 1 68 THR H 3.000 . 3.500 3.163 3.031 3.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
512 1 34 PRO HD3 1 69 GLU H 4.000 . 5.000 4.070 3.689 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
513 1 34 PRO HD3 1 68 THR MG 4.000 . 5.000 2.627 1.777 4.197 0.023 6 0 "[ . 1 . 2 . 3 . 4]" 1
514 1 35 TRP HA 1 36 CYS H 3.000 . 3.500 3.352 3.161 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
515 1 35 TRP HE1 1 68 THR HA 4.000 . 5.000 4.612 2.965 5.076 0.076 26 0 "[ . 1 . 2 . 3 . 4]" 1
516 1 35 TRP HE1 1 68 THR MG 4.000 . 5.000 2.744 1.872 4.982 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
517 1 36 CYS CA 1 39 CYS SG 3.800 3.000 4.500 4.252 3.204 4.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
518 1 36 CYS CB 1 39 CYS SG 3.000 3.000 3.000 3.018 3.006 3.054 0.054 9 0 "[ . 1 . 2 . 3 . 4]" 1
519 1 36 CYS H 1 36 CYS HB2 3.000 . 3.500 2.591 2.107 3.527 0.027 27 0 "[ . 1 . 2 . 3 . 4]" 1
520 1 36 CYS H 1 36 CYS HB3 2.000 . 2.500 2.451 2.189 2.805 0.305 7 0 "[ . 1 . 2 . 3 . 4]" 1
521 1 36 CYS SG 1 39 CYS CA 3.700 2.900 4.500 3.960 3.330 4.404 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
522 1 36 CYS SG 1 39 CYS CB 3.000 3.000 3.000 3.019 3.005 3.039 0.039 16 0 "[ . 1 . 2 . 3 . 4]" 1
523 1 36 CYS SG 1 39 CYS SG 2.000 . 2.000 2.015 2.011 2.020 0.020 28 0 "[ . 1 . 2 . 3 . 4]" 1
524 1 37 GLY HA3 1 39 CYS H 4.000 . 5.000 4.232 3.502 5.918 0.918 9 1 "[ . +1 . 2 . 3 . 4]" 1
525 1 38 HIS HA 1 39 CYS H 3.000 . 3.500 3.198 2.285 3.511 0.011 28 0 "[ . 1 . 2 . 3 . 4]" 1
526 1 38 HIS HA 1 41 ALA H 3.000 . 3.500 3.508 3.160 3.582 0.082 7 0 "[ . 1 . 2 . 3 . 4]" 1
527 1 38 HIS HA 1 41 ALA MB 3.000 . 3.500 3.116 2.694 3.581 0.081 38 0 "[ . 1 . 2 . 3 . 4]" 1
528 1 38 HIS QB 1 39 CYS H 3.000 . 3.500 3.466 1.854 3.758 0.258 9 0 "[ . 1 . 2 . 3 . 4]" 1
529 1 39 CYS H 1 39 CYS HA 3.000 . 3.500 2.935 2.333 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
530 1 39 CYS H 1 39 CYS HB3 3.000 . 3.500 3.422 2.287 4.049 0.549 38 1 "[ . 1 . 2 . 3 . + 4]" 1
531 1 39 CYS H 1 40 LYS H 3.000 . 3.500 2.318 2.084 2.624 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
532 1 39 CYS H 1 40 LYS HA 4.000 . 5.000 5.007 4.827 5.257 0.257 38 0 "[ . 1 . 2 . 3 . 4]" 1
533 1 39 CYS H 1 40 LYS QB 4.000 . 5.000 4.326 3.984 4.746 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
534 1 39 CYS H 1 40 LYS QG 4.000 . 5.000 3.645 3.238 4.888 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
535 1 39 CYS H 1 40 LYS QG 4.000 . 5.000 3.497 3.150 4.120 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
536 1 39 CYS H 1 41 ALA H 4.000 . 5.000 3.910 3.445 4.343 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
537 1 39 CYS HA 1 40 LYS H 3.000 . 3.500 3.468 3.123 3.558 0.058 27 0 "[ . 1 . 2 . 3 . 4]" 1
538 1 39 CYS HA 1 40 LYS H 3.000 . 3.500 3.408 3.075 3.506 0.006 27 0 "[ . 1 . 2 . 3 . 4]" 1
539 1 39 CYS HA 1 43 ALA H 4.000 . 5.000 3.984 3.547 4.364 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
540 1 39 CYS QB 1 40 LYS H 3.000 . 3.500 2.951 2.272 3.604 0.104 38 0 "[ . 1 . 2 . 3 . 4]" 1
541 1 40 LYS H 1 40 LYS HA 3.000 . 3.500 2.919 2.847 2.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
542 1 40 LYS H 1 40 LYS QB 3.000 . 3.500 2.433 2.171 2.876 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
543 1 40 LYS H 1 40 LYS QD 3.000 . 3.500 3.152 1.979 3.597 0.097 25 0 "[ . 1 . 2 . 3 . 4]" 1
544 1 40 LYS H 1 40 LYS QG 3.000 . 3.500 2.101 1.870 3.200 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
545 1 40 LYS H 1 40 LYS QG 3.000 . 3.500 2.082 1.867 3.056 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
546 1 40 LYS H 1 41 ALA H 3.000 . 3.500 2.437 1.933 2.666 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
547 1 40 LYS H 1 42 LEU H 4.000 . 5.000 4.088 2.970 4.570 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
548 1 40 LYS HA 1 41 ALA H 3.000 . 3.500 3.469 3.149 3.546 0.046 38 0 "[ . 1 . 2 . 3 . 4]" 1
549 1 40 LYS HA 1 43 ALA H 4.000 . 5.000 3.251 2.798 4.374 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
550 1 40 LYS HA 1 43 ALA MB 4.000 . 5.000 2.277 1.843 4.148 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
551 1 40 LYS QB 1 43 ALA H 4.000 . 5.000 4.457 3.892 5.033 0.033 19 0 "[ . 1 . 2 . 3 . 4]" 1
552 1 40 LYS QG 1 43 ALA H 4.000 . 5.000 3.633 2.895 4.272 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
553 1 41 ALA H 1 42 LEU H 3.000 . 3.500 2.733 2.427 2.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
554 1 41 ALA HA 1 42 LEU H 4.000 . 5.000 3.515 3.463 3.595 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
555 1 41 ALA MB 1 43 ALA H 4.000 . 5.000 4.409 4.001 4.764 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
556 1 42 LEU HA 1 43 ALA H 3.000 . 3.500 3.190 2.823 3.501 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1
557 1 42 LEU HA 1 45 GLU H 4.000 . 5.000 3.255 2.935 3.550 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
558 1 42 LEU HA 1 46 TYR H 4.000 . 5.000 3.970 3.254 4.439 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
559 1 42 LEU HB2 1 43 ALA H 4.000 . 5.000 4.277 3.721 4.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
560 1 42 LEU HB3 1 45 GLU H 4.000 . 5.000 4.564 4.082 5.025 0.025 6 0 "[ . 1 . 2 . 3 . 4]" 1
561 1 42 LEU MD1 1 45 GLU H 4.000 . 5.000 4.489 3.770 5.376 0.376 15 0 "[ . 1 . 2 . 3 . 4]" 1
562 1 42 LEU MD1 1 103 ARG H 4.000 . 5.000 3.360 2.109 5.023 0.023 18 0 "[ . 1 . 2 . 3 . 4]" 1
563 1 42 LEU MD1 1 104 GLU H 4.000 . 5.000 3.401 2.611 5.012 0.012 23 0 "[ . 1 . 2 . 3 . 4]" 1
564 1 42 LEU HG 1 46 TYR H 3.000 . 3.500 3.174 2.283 3.544 0.044 23 0 "[ . 1 . 2 . 3 . 4]" 1
565 1 42 LEU HG 1 47 ALA H 4.000 . 5.000 4.399 3.976 5.013 0.013 31 0 "[ . 1 . 2 . 3 . 4]" 1
566 1 42 LEU HG 1 104 GLU H 4.000 . 5.000 4.302 3.638 4.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
567 1 43 ALA H 1 43 ALA HA 3.000 . 3.500 2.857 2.761 2.955 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
568 1 43 ALA H 1 43 ALA MB 2.000 . 2.500 1.948 1.914 2.058 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
569 1 43 ALA H 1 44 PRO HD2 3.000 . 3.500 2.186 1.915 2.745 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
570 1 43 ALA H 1 44 PRO HD3 3.000 . 3.500 2.767 2.131 3.174 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
571 1 43 ALA H 1 44 PRO QG 4.000 . 5.000 4.012 3.740 4.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
572 1 43 ALA H 1 45 GLU H 4.000 . 5.000 3.750 3.326 4.090 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
573 1 43 ALA H 1 46 TYR H 4.000 . 5.000 4.678 4.488 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
574 1 43 ALA H 1 46 TYR QB 4.000 . 5.000 4.756 4.124 4.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
575 1 43 ALA HA 1 46 TYR H 4.000 . 5.000 3.812 3.402 4.181 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
576 1 43 ALA HA 1 46 TYR QB 4.000 . 5.000 3.141 2.450 3.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
577 1 43 ALA HA 1 47 ALA H 4.000 . 5.000 4.546 4.070 5.022 0.022 8 0 "[ . 1 . 2 . 3 . 4]" 1
578 1 43 ALA MB 1 44 PRO HD2 3.000 . 3.500 2.743 2.440 3.212 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
579 1 43 ALA MB 1 44 PRO HD3 3.000 . 3.500 1.897 1.844 2.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
580 1 44 PRO HA 1 45 GLU H 3.000 . 3.500 3.376 3.165 3.500 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
581 1 44 PRO HA 1 46 TYR H 4.000 . 5.000 4.461 4.006 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
582 1 44 PRO HA 1 47 ALA H 3.000 . 3.500 3.541 3.417 3.676 0.176 27 0 "[ . 1 . 2 . 3 . 4]" 1
583 1 44 PRO HA 1 47 ALA MB 3.000 . 3.500 2.638 2.209 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
584 1 44 PRO HA 1 48 LYS H 4.000 . 5.000 4.309 3.637 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
585 1 44 PRO HB2 1 45 GLU H 3.000 . 3.500 3.250 2.215 3.682 0.182 39 0 "[ . 1 . 2 . 3 . 4]" 1
586 1 44 PRO HB2 1 46 TYR H 4.000 . 5.000 4.560 3.921 4.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
587 1 44 PRO HB3 1 45 GLU H 4.000 . 5.000 4.480 4.312 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
588 1 44 PRO HB3 1 47 ALA H 4.000 . 5.000 4.113 3.825 5.229 0.229 26 0 "[ . 1 . 2 . 3 . 4]" 1
589 1 44 PRO HD2 1 45 GLU H 3.000 . 3.500 2.673 2.137 2.920 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
590 1 44 PRO HD3 1 45 GLU H 4.000 . 5.000 3.862 3.544 4.016 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
591 1 44 PRO HD3 1 48 LYS H 4.000 . 5.000 5.006 4.769 5.169 0.169 39 0 "[ . 1 . 2 . 3 . 4]" 1
592 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.971 2.907 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
593 1 45 GLU H 1 45 GLU HG3 3.000 . 3.500 3.090 2.304 3.764 0.264 12 0 "[ . 1 . 2 . 3 . 4]" 1
594 1 45 GLU H 1 46 TYR H 3.000 . 3.500 2.132 1.917 2.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
595 1 45 GLU H 1 46 TYR QB 4.000 . 5.000 3.680 3.471 3.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
596 1 45 GLU H 1 46 TYR QD 4.000 . 5.000 5.127 5.035 5.392 0.392 37 0 "[ . 1 . 2 . 3 . 4]" 1
597 1 45 GLU H 1 47 ALA H 4.000 . 5.000 3.458 2.740 4.573 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
598 1 45 GLU H 1 47 ALA MB 4.000 . 5.000 4.303 3.725 5.043 0.043 35 0 "[ . 1 . 2 . 3 . 4]" 1
599 1 45 GLU H 1 48 LYS H 4.000 . 5.000 4.530 3.970 4.806 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
600 1 45 GLU H 1 105 ALA H 4.000 . 5.000 5.066 4.975 5.145 0.145 12 0 "[ . 1 . 2 . 3 . 4]" 1
601 1 45 GLU HA 1 48 LYS H 3.000 . 3.500 3.477 3.235 3.580 0.080 26 0 "[ . 1 . 2 . 3 . 4]" 1
602 1 45 GLU HA 1 105 ALA H 3.000 . 3.500 2.752 2.454 3.055 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
603 1 45 GLU QB 1 46 TYR H 3.000 . 3.500 2.497 2.147 2.794 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
604 1 45 GLU HB2 1 103 ARG H 4.000 . 5.000 3.790 2.498 4.627 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
605 1 45 GLU HB2 1 106 ASP H 4.000 . 5.000 3.043 2.654 3.789 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
606 1 45 GLU HB2 1 105 ALA H 3.000 . 3.500 3.701 3.537 3.939 0.439 23 0 "[ . 1 . 2 . 3 . 4]" 1
607 1 45 GLU HG2 1 104 GLU HA 4.000 . 5.000 2.643 1.679 4.312 0.121 6 0 "[ . 1 . 2 . 3 . 4]" 1
608 1 45 GLU HG2 1 105 ALA H 4.000 . 5.000 3.351 1.942 4.350 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
609 1 45 GLU HG3 1 46 TYR H 4.000 . 5.000 4.503 3.788 4.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
610 1 45 GLU HG3 1 104 GLU HA 4.000 . 5.000 3.466 2.445 4.294 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
611 1 45 GLU HG3 1 105 ALA H 4.000 . 5.000 3.737 3.026 4.639 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
612 1 46 TYR H 1 46 TYR HA 3.000 . 3.500 2.902 2.828 2.953 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
613 1 46 TYR H 1 46 TYR QB 3.000 . 3.500 1.977 1.885 2.124 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
614 1 46 TYR H 1 47 ALA H 3.000 . 3.500 2.515 2.311 3.032 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
615 1 46 TYR H 1 48 LYS H 4.000 . 5.000 4.013 3.754 4.209 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
616 1 46 TYR H 1 108 ILE MD 4.000 . 5.000 4.523 3.351 5.046 0.046 34 0 "[ . 1 . 2 . 3 . 4]" 1
617 1 46 TYR HA 1 47 ALA H 4.000 . 5.000 3.493 3.450 3.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
618 1 46 TYR HA 1 49 ALA MB 4.000 . 5.000 2.968 2.541 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
619 1 46 TYR HA 1 108 ILE MD 3.000 . 3.500 2.827 1.814 3.522 0.022 31 0 "[ . 1 . 2 . 3 . 4]" 1
620 1 46 TYR QB 1 47 ALA H 3.000 . 3.500 2.968 1.883 3.222 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
621 1 46 TYR QD 1 47 ALA H 3.000 . 3.500 3.343 2.903 3.735 0.235 6 0 "[ . 1 . 2 . 3 . 4]" 1
622 1 46 TYR QD 1 62 LEU QD 4.000 . 5.000 2.979 1.831 4.379 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
623 1 46 TYR QD 1 63 ALA H 4.000 . 5.000 5.046 4.805 5.156 0.156 39 0 "[ . 1 . 2 . 3 . 4]" 1
624 1 46 TYR QD 1 108 ILE MD 3.000 . 3.500 2.887 1.913 3.499 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
625 1 46 TYR QE 1 62 LEU QD 4.000 . 5.000 2.907 2.047 3.939 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
626 1 46 TYR QE 1 63 ALA H 3.000 . 3.500 2.880 2.577 3.129 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
627 1 46 TYR QE 1 108 ILE MD 4.000 . 5.000 4.409 2.549 5.034 0.034 19 0 "[ . 1 . 2 . 3 . 4]" 1
628 1 47 ALA H 1 47 ALA HA 3.000 . 3.500 2.936 2.793 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
629 1 47 ALA H 1 47 ALA MB 3.000 . 3.500 2.127 1.949 2.217 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
630 1 47 ALA H 1 48 LYS H 3.000 . 3.500 2.381 2.156 2.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
631 1 47 ALA H 1 49 ALA H 4.000 . 5.000 4.007 3.758 4.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
632 1 47 ALA HA 1 48 LYS H 3.000 . 3.500 3.496 3.431 3.551 0.051 39 0 "[ . 1 . 2 . 3 . 4]" 1
633 1 47 ALA HA 1 48 LYS H 3.000 . 3.500 2.787 2.739 2.829 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
634 1 47 ALA HA 1 50 ALA MB 4.000 . 5.000 3.329 2.120 3.975 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
635 1 47 ALA MB 1 48 LYS H 3.000 . 3.500 2.826 2.500 3.095 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
636 1 48 LYS H 1 48 LYS HB2 3.000 . 3.500 2.164 1.952 3.577 0.077 26 0 "[ . 1 . 2 . 3 . 4]" 1
637 1 48 LYS H 1 48 LYS HB3 3.000 . 3.500 3.172 2.218 3.561 0.061 40 0 "[ . 1 . 2 . 3 . 4]" 1
638 1 48 LYS H 1 48 LYS QD 3.000 . 3.500 3.279 2.487 3.607 0.107 5 0 "[ . 1 . 2 . 3 . 4]" 1
639 1 48 LYS H 1 48 LYS QE 4.000 . 5.000 4.666 3.956 5.030 0.030 1 0 "[ . 1 . 2 . 3 . 4]" 1
640 1 48 LYS H 1 48 LYS QG 4.000 . 5.000 3.365 1.919 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
641 1 48 LYS H 1 49 ALA H 3.000 . 3.500 2.437 2.168 2.695 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
642 1 48 LYS H 1 49 ALA MB 4.000 . 5.000 3.941 3.751 4.164 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
643 1 48 LYS H 1 105 ALA MB 3.000 . 3.500 3.258 2.606 3.546 0.046 34 0 "[ . 1 . 2 . 3 . 4]" 1
644 1 48 LYS HA 1 51 GLY H 3.000 . 3.500 3.386 3.092 3.584 0.084 34 0 "[ . 1 . 2 . 3 . 4]" 1
645 1 48 LYS HB3 1 106 ASP H 4.000 . 5.000 4.561 4.178 5.211 0.211 14 0 "[ . 1 . 2 . 3 . 4]" 1
646 1 48 LYS HE2 1 52 LYS H 4.000 . 5.000 4.410 3.152 4.988 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
647 1 49 ALA H 1 50 ALA H 3.000 . 3.500 2.649 2.116 2.909 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
648 1 49 ALA H 1 51 GLY H 4.000 . 5.000 4.053 3.357 4.330 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
649 1 49 ALA HA 1 50 ALA H 3.000 . 3.500 3.525 3.458 3.574 0.074 10 0 "[ . 1 . 2 . 3 . 4]" 1
650 1 49 ALA HA 1 51 GLY H 4.000 . 5.000 4.008 3.695 4.631 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
651 1 49 ALA HA 1 52 LYS H 3.000 . 3.500 3.439 3.234 3.593 0.093 34 0 "[ . 1 . 2 . 3 . 4]" 1
652 1 49 ALA HA 1 52 LYS QB 3.000 . 3.500 3.124 2.345 3.519 0.019 12 0 "[ . 1 . 2 . 3 . 4]" 1
653 1 49 ALA HA 1 105 ALA MB 4.000 . 5.000 2.802 2.305 3.282 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
654 1 49 ALA HA 1 109 VAL QG 3.000 . 3.500 2.686 2.148 3.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
655 1 49 ALA MB 1 51 GLY H 4.000 . 5.000 4.355 4.084 4.632 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
656 1 49 ALA MB 1 62 LEU QD 4.000 . 5.000 2.285 1.722 3.495 0.078 15 0 "[ . 1 . 2 . 3 . 4]" 1
657 1 49 ALA MB 1 105 ALA H 4.000 . 5.000 4.724 4.165 5.009 0.009 20 0 "[ . 1 . 2 . 3 . 4]" 1
658 1 49 ALA MB 1 105 ALA HA 4.000 . 5.000 2.519 1.975 2.917 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
659 1 49 ALA MB 1 108 ILE MD 4.000 . 5.000 3.380 2.257 4.256 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
660 1 49 ALA MB 1 108 ILE MG 4.000 . 5.000 2.349 1.825 3.084 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
661 1 49 ALA MB 1 109 VAL H 3.000 . 3.500 3.140 2.168 3.520 0.020 20 0 "[ . 1 . 2 . 3 . 4]" 1
662 1 49 ALA MB 1 109 VAL QG 4.000 . 5.000 2.269 1.797 3.161 0.003 36 0 "[ . 1 . 2 . 3 . 4]" 1
663 1 50 ALA H 1 51 GLY H 3.000 . 3.500 2.553 2.337 2.721 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
664 1 50 ALA HA 1 53 LEU HB3 4.000 . 5.000 4.793 3.493 5.988 0.988 34 4 "[ . -1 . * 2 . 3 +. *4]" 1
665 1 50 ALA HA 1 53 LEU QD 4.000 . 5.000 2.322 1.785 4.178 0.015 7 0 "[ . 1 . 2 . 3 . 4]" 1
666 1 50 ALA HA 1 62 LEU QD 4.000 . 5.000 2.370 1.902 3.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
667 1 50 ALA MB 1 51 GLY H 3.000 . 3.500 2.821 2.347 3.064 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
668 1 51 GLY H 1 51 GLY HA2 3.000 . 3.500 2.921 2.884 2.968 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
669 1 51 GLY H 1 51 GLY HA3 3.000 . 3.500 2.369 2.347 2.417 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
670 1 51 GLY H 1 52 LYS H 2.000 . 2.500 2.425 2.271 2.545 0.045 34 0 "[ . 1 . 2 . 3 . 4]" 1
671 1 51 GLY H 1 62 LEU QD 4.000 . 5.000 4.427 4.051 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
672 1 51 GLY HA2 1 52 LYS H 3.000 . 3.500 3.486 3.347 3.528 0.028 28 0 "[ . 1 . 2 . 3 . 4]" 1
673 1 51 GLY HA2 1 54 LYS H 3.000 . 3.500 3.142 2.828 3.523 0.023 17 0 "[ . 1 . 2 . 3 . 4]" 1
674 1 51 GLY HA2 1 55 ALA H 4.000 . 5.000 4.892 3.513 5.076 0.076 13 0 "[ . 1 . 2 . 3 . 4]" 1
675 1 51 GLY HA3 1 52 LYS H 3.000 . 3.500 3.040 2.925 3.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
676 1 51 GLY HA3 1 54 LYS H 3.000 . 3.500 3.340 3.098 3.488 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
677 1 51 GLY HA3 1 55 ALA H 4.000 . 5.000 4.055 3.490 4.819 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
678 1 52 LYS H 1 52 LYS HA 3.000 . 3.500 2.857 2.807 2.933 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
679 1 52 LYS H 1 52 LYS HG2 3.000 . 3.500 2.672 1.949 3.367 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
680 1 52 LYS H 1 52 LYS HG3 3.000 . 3.500 2.975 2.052 3.581 0.081 34 0 "[ . 1 . 2 . 3 . 4]" 1
681 1 52 LYS H 1 53 LEU H 3.000 . 3.500 2.715 2.427 2.989 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
682 1 52 LYS H 1 53 LEU QD 4.000 . 5.000 3.602 2.913 4.254 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
683 1 52 LYS H 1 53 LEU HG 4.000 . 5.000 3.831 3.321 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
684 1 52 LYS H 1 54 LYS H 4.000 . 5.000 4.100 3.677 4.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
685 1 52 LYS H 1 109 VAL QG 4.000 . 5.000 4.248 3.528 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
686 1 53 LEU HA 1 54 LYS H 3.000 . 3.500 3.461 3.184 3.571 0.071 30 0 "[ . 1 . 2 . 3 . 4]" 1
687 1 53 LEU HA 1 56 GLU H 3.000 . 3.500 3.244 2.621 3.644 0.144 19 0 "[ . 1 . 2 . 3 . 4]" 1
688 1 53 LEU HA 1 56 GLU QB 4.000 . 5.000 3.039 1.979 5.043 0.043 25 0 "[ . 1 . 2 . 3 . 4]" 1
689 1 53 LEU HA 1 56 GLU QG 4.000 . 5.000 3.382 1.925 5.788 0.788 25 1 "[ . 1 . 2 + 3 . 4]" 1
690 1 53 LEU HA 1 57 GLY H 4.000 . 5.000 3.425 1.933 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
691 1 53 LEU HB2 1 58 SER H 4.000 . 5.000 3.532 2.261 5.764 0.764 34 1 "[ . 1 . 2 . 3 +. 4]" 1
692 1 53 LEU HB2 1 59 GLU H 4.000 . 5.000 4.861 4.278 5.478 0.478 36 0 "[ . 1 . 2 . 3 . 4]" 1
693 1 53 LEU QD 1 54 LYS H 4.000 . 5.000 3.096 1.926 3.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
694 1 53 LEU QD 1 56 GLU H 4.000 . 5.000 4.333 2.228 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
695 1 53 LEU QD 1 58 SER H 4.000 . 5.000 3.290 2.453 4.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
696 1 53 LEU QD 1 59 GLU H 4.000 . 5.000 3.468 2.483 4.761 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
697 1 53 LEU QD 1 60 ILE H 4.000 . 5.000 3.363 2.074 4.177 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
698 1 53 LEU QD 1 60 ILE H 3.000 . 3.500 2.590 1.967 3.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
699 1 53 LEU HG 1 54 LYS H 3.000 . 3.500 2.803 1.906 3.657 0.157 34 0 "[ . 1 . 2 . 3 . 4]" 1
700 1 54 LYS H 1 54 LYS HA 3.000 . 3.500 2.762 2.371 2.881 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
701 1 54 LYS H 1 54 LYS QB 3.000 . 3.500 2.169 1.928 2.843 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
702 1 54 LYS H 1 54 LYS HG2 4.000 . 5.000 4.230 2.158 5.044 0.044 39 0 "[ . 1 . 2 . 3 . 4]" 1
703 1 54 LYS H 1 54 LYS HG3 4.000 . 5.000 4.157 3.130 4.541 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
704 1 54 LYS H 1 55 ALA H 3.000 . 3.500 2.852 2.626 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
705 1 54 LYS HA 1 55 ALA H 3.000 . 3.500 2.717 2.219 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
706 1 54 LYS HA 1 56 GLU H 3.000 . 3.500 3.168 2.847 3.398 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
707 1 54 LYS HA 1 57 GLY H 3.000 . 3.500 2.446 2.276 2.977 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
708 1 54 LYS QB 1 55 ALA H 4.000 . 5.000 2.722 1.945 3.979 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
709 1 54 LYS HG2 1 55 ALA H 4.000 . 5.000 4.391 2.347 5.020 0.020 2 0 "[ . 1 . 2 . 3 . 4]" 1
710 1 54 LYS HG3 1 55 ALA H 4.000 . 5.000 4.685 2.462 5.036 0.036 35 0 "[ . 1 . 2 . 3 . 4]" 1
711 1 55 ALA H 1 55 ALA MB 3.000 . 3.500 2.191 1.916 2.860 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
712 1 55 ALA H 1 56 GLU H 3.000 . 3.500 2.561 2.019 2.766 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
713 1 55 ALA H 1 56 GLU QG 4.000 . 5.000 4.355 3.086 5.748 0.748 25 1 "[ . 1 . 2 + 3 . 4]" 1
714 1 55 ALA HA 1 56 GLU H 3.000 . 3.500 3.378 2.965 3.549 0.049 22 0 "[ . 1 . 2 . 3 . 4]" 1
715 1 55 ALA MB 1 56 GLU H 3.000 . 3.500 3.013 2.487 3.566 0.066 21 0 "[ . 1 . 2 . 3 . 4]" 1
716 1 55 ALA MB 1 57 GLY H 4.000 . 5.000 4.568 3.285 5.071 0.071 24 0 "[ . 1 . 2 . 3 . 4]" 1
717 1 56 GLU H 1 56 GLU HA 3.000 . 3.500 2.900 2.342 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
718 1 56 GLU H 1 56 GLU QG 3.000 . 3.500 2.726 1.902 3.496 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
719 1 56 GLU H 1 57 GLY H 3.000 . 3.500 2.506 1.932 3.604 0.104 11 0 "[ . 1 . 2 . 3 . 4]" 1
720 1 56 GLU H 1 58 SER H 4.000 . 5.000 4.066 3.058 4.947 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
721 1 56 GLU HA 1 57 GLY H 3.000 . 3.500 3.420 2.481 3.577 0.077 38 0 "[ . 1 . 2 . 3 . 4]" 1
722 1 56 GLU HA 1 58 SER H 4.000 . 5.000 4.686 3.178 5.045 0.045 4 0 "[ . 1 . 2 . 3 . 4]" 1
723 1 56 GLU HB3 1 58 SER H 4.000 . 5.000 3.994 2.529 5.606 0.606 11 2 "[ . 1+ . 2 -. 3 . 4]" 1
724 1 56 GLU QG 1 57 GLY H 4.000 . 5.000 3.940 1.997 5.013 0.013 25 0 "[ . 1 . 2 . 3 . 4]" 1
725 1 56 GLU QG 1 58 SER H 4.000 . 5.000 4.611 1.927 5.563 0.563 25 1 "[ . 1 . 2 + 3 . 4]" 1
726 1 57 GLY H 1 57 GLY HA3 3.000 . 3.500 2.884 2.351 2.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
727 1 57 GLY H 1 58 SER H 3.000 . 3.500 2.446 1.932 3.663 0.163 11 0 "[ . 1 . 2 . 3 . 4]" 1
728 1 57 GLY HA2 1 58 SER H 3.000 . 3.500 3.117 2.741 3.593 0.093 13 0 "[ . 1 . 2 . 3 . 4]" 1
729 1 58 SER H 1 58 SER HA 3.000 . 3.500 2.842 2.348 2.985 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
730 1 58 SER H 1 58 SER HB2 3.000 . 3.500 2.451 1.945 3.503 0.003 18 0 "[ . 1 . 2 . 3 . 4]" 1
731 1 58 SER H 1 58 SER HB3 3.000 . 3.500 3.186 2.244 3.581 0.081 35 0 "[ . 1 . 2 . 3 . 4]" 1
732 1 58 SER H 1 59 GLU H 4.000 . 5.000 4.451 3.034 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
733 1 58 SER H 1 60 ILE H 4.000 . 5.000 4.868 3.645 5.072 0.072 30 0 "[ . 1 . 2 . 3 . 4]" 1
734 1 58 SER H 1 60 ILE MD 4.000 . 5.000 4.804 3.608 5.066 0.066 23 0 "[ . 1 . 2 . 3 . 4]" 1
735 1 58 SER HA 1 59 GLU H 2.000 . 2.500 2.495 2.253 2.750 0.250 35 0 "[ . 1 . 2 . 3 . 4]" 1
736 1 58 SER HB2 1 59 GLU H 4.000 . 5.000 3.910 2.475 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
737 1 58 SER HB3 1 59 GLU H 4.000 . 5.000 3.091 1.983 4.530 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
738 1 58 SER HB3 1 60 ILE H 4.000 . 5.000 2.866 2.147 4.942 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
739 1 59 GLU H 1 59 GLU HA 3.000 . 3.500 2.962 2.388 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
740 1 59 GLU H 1 59 GLU QB 3.000 . 3.500 2.672 1.954 2.900 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
741 1 59 GLU H 1 59 GLU HB3 3.000 . 3.500 2.758 1.988 3.041 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
742 1 59 GLU H 1 59 GLU QG 3.000 . 3.500 2.011 1.588 4.070 0.570 15 1 "[ . 1 + 2 . 3 . 4]" 1
743 1 59 GLU H 1 60 ILE H 3.000 . 3.500 2.640 1.982 3.609 0.109 15 0 "[ . 1 . 2 . 3 . 4]" 1
744 1 59 GLU H 1 60 ILE MD 4.000 . 5.000 3.826 2.061 5.074 0.074 11 0 "[ . 1 . 2 . 3 . 4]" 1
745 1 59 GLU HA 1 60 ILE H 3.000 . 3.500 3.116 2.425 3.464 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
746 1 59 GLU QG 1 60 ILE H 3.000 . 3.500 3.431 2.346 4.344 0.844 15 4 "[ - 1 + * . 3* . 4]" 1
747 1 60 ILE H 1 60 ILE HA 3.000 . 3.500 2.954 2.805 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
748 1 60 ILE H 1 60 ILE MD 3.000 . 3.500 2.952 1.798 3.645 0.145 15 0 "[ . 1 . 2 . 3 . 4]" 1
749 1 60 ILE H 1 60 ILE HG12 3.000 . 3.500 2.801 1.862 4.139 0.639 2 4 "[ + . 1 . ** 2 .- 3 . 4]" 1
750 1 60 ILE H 1 61 ARG H 4.000 . 5.000 4.573 4.414 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
751 1 60 ILE HA 1 61 ARG H 2.000 . 2.500 2.391 2.223 2.601 0.101 28 0 "[ . 1 . 2 . 3 . 4]" 1
752 1 60 ILE HB 1 61 ARG H 3.000 . 3.500 3.157 2.249 3.599 0.099 32 0 "[ . 1 . 2 . 3 . 4]" 1
753 1 60 ILE MD 1 61 ARG H 3.000 . 3.500 3.297 2.832 3.501 0.001 24 0 "[ . 1 . 2 . 3 . 4]" 1
754 1 60 ILE MG 1 61 ARG H 4.000 . 5.000 3.211 1.813 4.151 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
755 1 61 ARG H 1 61 ARG QB 3.000 . 3.500 2.522 2.166 2.757 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
756 1 61 ARG H 1 87 PHE QE 4.000 . 5.000 4.723 4.095 5.024 0.024 31 0 "[ . 1 . 2 . 3 . 4]" 1
757 1 61 ARG HA 1 62 LEU H 2.000 . 2.500 2.302 2.197 2.457 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
758 1 62 LEU H 1 62 LEU HA 3.000 . 3.500 2.987 2.934 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
759 1 62 LEU HA 1 63 ALA H 2.000 . 2.500 2.376 2.249 2.565 0.065 39 0 "[ . 1 . 2 . 3 . 4]" 1
760 1 62 LEU HB2 1 63 ALA H 4.000 . 5.000 3.465 2.250 3.935 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
761 1 62 LEU HB3 1 63 ALA H 4.000 . 5.000 3.023 2.524 4.034 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
762 1 62 LEU QD 1 63 ALA H 4.000 . 5.000 3.652 2.981 4.063 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
763 1 62 LEU QD 1 108 ILE MG 4.000 . 5.000 2.288 1.778 3.703 0.022 15 0 "[ . 1 . 2 . 3 . 4]" 1
764 1 63 ALA H 1 63 ALA MB 3.000 . 3.500 2.636 2.509 2.751 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
765 1 63 ALA HA 1 64 LYS H 3.000 . 3.500 2.453 2.327 2.613 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
766 1 63 ALA MB 1 64 LYS H 3.000 . 3.500 2.596 2.230 2.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
767 1 64 LYS HA 1 65 VAL H 2.000 . 2.500 2.394 2.301 2.513 0.013 33 0 "[ . 1 . 2 . 3 . 4]" 1
768 1 64 LYS HB3 1 65 VAL H 3.000 . 3.500 3.405 2.521 4.161 0.661 15 7 "[ * 1 * + 2 ** 3 .*- 4]" 1
769 1 65 VAL H 1 65 VAL HA 3.000 . 3.500 2.996 2.981 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
770 1 65 VAL H 1 65 VAL HB 3.000 . 3.500 2.704 2.492 3.390 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
771 1 65 VAL H 1 65 VAL QG 3.000 . 3.500 2.695 1.892 2.994 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
772 1 65 VAL HA 1 66 ASP H 2.000 . 2.500 2.304 2.222 2.423 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
773 1 65 VAL QG 1 66 ASP H 3.000 . 3.500 2.155 1.899 2.484 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
774 1 65 VAL QG 1 67 ALA H 3.000 . 3.500 3.450 3.091 3.519 0.019 32 0 "[ . 1 . 2 . 3 . 4]" 1
775 1 65 VAL QG 1 67 ALA MB 4.000 . 5.000 3.909 3.433 4.076 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
776 1 65 VAL QG 1 69 GLU H 4.000 . 5.000 4.614 4.394 4.818 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
777 1 65 VAL QG 1 71 SER H 4.000 . 5.000 4.710 3.391 4.973 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
778 1 65 VAL QG 1 73 LEU H 4.000 . 5.000 4.452 4.043 4.814 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
779 1 66 ASP H 1 67 ALA H 4.000 . 5.000 4.097 4.012 4.185 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
780 1 66 ASP H 1 69 GLU HB2 4.000 . 5.000 4.815 4.253 5.027 0.027 37 0 "[ . 1 . 2 . 3 . 4]" 1
781 1 66 ASP H 1 69 GLU HB3 4.000 . 5.000 3.880 3.346 4.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
782 1 66 ASP HA 1 67 ALA H 2.000 . 2.500 2.304 2.264 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
783 1 66 ASP HA 1 68 THR H 3.000 . 3.500 3.455 3.352 3.509 0.009 8 0 "[ . 1 . 2 . 3 . 4]" 1
784 1 66 ASP HA 1 69 GLU H 4.000 . 5.000 4.253 3.902 4.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
785 1 66 ASP HB2 1 67 ALA H 4.000 . 5.000 4.609 4.463 4.679 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
786 1 66 ASP HB2 1 69 GLU H 4.000 . 5.000 3.626 2.897 4.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
787 1 66 ASP HB3 1 67 ALA H 4.000 . 5.000 4.103 4.034 4.336 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
788 1 67 ALA H 1 67 ALA HA 3.000 . 3.500 2.785 2.766 2.811 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
789 1 67 ALA H 1 67 ALA MB 3.000 . 3.500 2.012 1.917 2.162 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
790 1 67 ALA H 1 68 THR H 3.000 . 3.500 2.853 2.769 2.906 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
791 1 67 ALA H 1 68 THR MG 4.000 . 5.000 4.170 3.732 4.715 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
792 1 67 ALA H 1 69 GLU H 4.000 . 5.000 4.236 4.090 4.458 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
793 1 67 ALA H 1 74 ALA MB 4.000 . 5.000 4.948 4.728 5.046 0.046 31 0 "[ . 1 . 2 . 3 . 4]" 1
794 1 67 ALA HA 1 68 THR H 3.000 . 3.500 3.509 3.488 3.524 0.024 8 0 "[ . 1 . 2 . 3 . 4]" 1
795 1 67 ALA HA 1 69 GLU H 4.000 . 5.000 3.869 3.508 4.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
796 1 67 ALA MB 1 68 THR H 3.000 . 3.500 2.791 2.650 2.897 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
797 1 67 ALA MB 1 69 GLU H 4.000 . 5.000 4.349 4.200 4.533 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
798 1 67 ALA MB 1 82 TYR QE 3.000 . 3.500 2.310 1.818 2.785 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
799 1 68 THR H 1 68 THR MG 3.000 . 3.500 2.257 1.897 2.696 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
800 1 68 THR H 1 69 GLU H 3.000 . 3.500 2.520 2.320 2.823 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
801 1 68 THR H 1 69 GLU HB2 4.000 . 5.000 4.186 3.877 4.505 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
802 1 68 THR H 1 69 GLU HB3 4.000 . 5.000 4.924 4.428 5.726 0.726 15 1 "[ . 1 + 2 . 3 . 4]" 1
803 1 68 THR HA 1 69 GLU H 3.000 . 3.500 3.374 3.021 3.518 0.018 19 0 "[ . 1 . 2 . 3 . 4]" 1
804 1 68 THR MG 1 69 GLU H 4.000 . 5.000 3.639 2.104 4.314 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
805 1 69 GLU H 1 69 GLU HA 3.000 . 3.500 2.988 2.929 3.007 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
806 1 69 GLU H 1 69 GLU HB2 3.000 . 3.500 2.613 2.295 3.119 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
807 1 69 GLU H 1 69 GLU HB3 3.000 . 3.500 2.822 2.432 3.271 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
808 1 69 GLU H 1 69 GLU HG2 4.000 . 5.000 4.506 4.226 4.740 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
809 1 69 GLU H 1 69 GLU HG3 4.000 . 5.000 4.604 4.084 4.944 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
810 1 69 GLU H 1 70 GLU QB 4.000 . 5.000 4.403 3.638 4.845 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
811 1 69 GLU H 1 70 GLU QG 4.000 . 5.000 4.489 3.352 5.163 0.163 8 0 "[ . 1 . 2 . 3 . 4]" 1
812 1 69 GLU H 1 71 SER H 4.000 . 5.000 3.792 3.198 4.405 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
813 1 69 GLU HA 1 71 SER H 4.000 . 5.000 4.230 3.683 5.085 0.085 11 0 "[ . 1 . 2 . 3 . 4]" 1
814 1 70 GLU HA 1 71 SER H 3.000 . 3.500 2.924 2.569 3.576 0.076 36 0 "[ . 1 . 2 . 3 . 4]" 1
815 1 70 GLU QB 1 71 SER H 4.000 . 5.000 3.666 1.942 4.074 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
816 1 70 GLU QB 1 71 SER H 4.000 . 5.000 3.652 1.942 4.059 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
817 1 70 GLU QB 1 73 LEU H 3.000 . 3.500 2.400 1.987 3.427 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
818 1 70 GLU QB 1 73 LEU H 4.000 . 5.000 3.587 2.584 4.062 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
819 1 71 SER H 1 71 SER HA 3.000 . 3.500 2.777 2.354 2.923 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
820 1 71 SER H 1 71 SER QB 3.000 . 3.500 2.308 1.929 3.384 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
821 1 71 SER H 1 72 ASP H 3.000 . 3.500 2.739 2.472 3.644 0.144 11 0 "[ . 1 . 2 . 3 . 4]" 1
822 1 71 SER H 1 73 LEU H 4.000 . 5.000 4.478 3.788 4.847 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
823 1 71 SER H 1 74 ALA MB 4.000 . 5.000 4.528 3.169 5.020 0.020 5 0 "[ . 1 . 2 . 3 . 4]" 1
824 1 71 SER HA 1 72 ASP H 3.000 . 3.500 3.440 3.140 3.566 0.066 11 0 "[ . 1 . 2 . 3 . 4]" 1
825 1 71 SER HA 1 73 LEU H 4.000 . 5.000 3.826 3.312 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
826 1 71 SER HA 1 74 ALA H 3.000 . 3.500 3.062 2.710 3.576 0.076 24 0 "[ . 1 . 2 . 3 . 4]" 1
827 1 71 SER HA 1 74 ALA MB 3.000 . 3.500 2.327 1.910 2.967 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
828 1 71 SER HA 1 75 GLN H 4.000 . 5.000 3.689 2.686 4.220 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
829 1 71 SER QB 1 72 ASP H 3.000 . 3.500 3.189 2.080 3.588 0.088 1 0 "[ . 1 . 2 . 3 . 4]" 1
830 1 72 ASP H 1 72 ASP HA 3.000 . 3.500 2.828 2.770 2.996 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
831 1 72 ASP H 1 72 ASP HB2 3.000 . 3.500 2.190 1.944 3.511 0.011 11 0 "[ . 1 . 2 . 3 . 4]" 1
832 1 72 ASP H 1 72 ASP HB3 3.000 . 3.500 3.184 1.958 3.514 0.014 21 0 "[ . 1 . 2 . 3 . 4]" 1
833 1 72 ASP H 1 73 LEU H 3.000 . 3.500 2.720 1.935 2.916 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
834 1 72 ASP H 1 74 ALA H 4.000 . 5.000 4.158 2.992 4.634 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
835 1 72 ASP H 1 74 ALA MB 4.000 . 5.000 4.698 3.748 5.015 0.015 39 0 "[ . 1 . 2 . 3 . 4]" 1
836 1 72 ASP HA 1 73 LEU H 3.000 . 3.500 3.523 3.482 3.569 0.069 21 0 "[ . 1 . 2 . 3 . 4]" 1
837 1 72 ASP HA 1 75 GLN H 4.000 . 5.000 4.042 3.279 4.936 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
838 1 72 ASP HA 1 75 GLN QB 4.000 . 5.000 3.213 2.280 4.337 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
839 1 72 ASP HA 1 76 GLN H 4.000 . 5.000 4.606 3.762 5.036 0.036 4 0 "[ . 1 . 2 . 3 . 4]" 1
840 1 72 ASP HB2 1 73 LEU H 3.000 . 3.500 3.153 2.491 3.529 0.029 36 0 "[ . 1 . 2 . 3 . 4]" 1
841 1 72 ASP HB3 1 73 LEU H 3.000 . 3.500 3.201 2.519 3.511 0.011 33 0 "[ . 1 . 2 . 3 . 4]" 1
842 1 73 LEU H 1 73 LEU HA 3.000 . 3.500 2.945 2.864 2.999 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
843 1 73 LEU H 1 73 LEU QD 4.000 . 5.000 2.469 1.848 3.610 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
844 1 73 LEU H 1 74 ALA H 3.000 . 3.500 2.354 1.941 2.669 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
845 1 73 LEU H 1 75 GLN H 4.000 . 5.000 3.976 3.684 4.395 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
846 1 73 LEU HA 1 74 ALA H 3.000 . 3.500 3.536 3.460 3.570 0.070 35 0 "[ . 1 . 2 . 3 . 4]" 1
847 1 73 LEU HA 1 76 GLN H 3.000 . 3.500 3.511 3.361 3.564 0.064 40 0 "[ . 1 . 2 . 3 . 4]" 1
848 1 73 LEU HA 1 76 GLN HB2 4.000 . 5.000 2.667 2.246 3.163 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
849 1 73 LEU HA 1 76 GLN HB3 4.000 . 5.000 3.721 2.676 4.582 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
850 1 73 LEU HB2 1 75 GLN H 4.000 . 5.000 4.756 4.386 5.119 0.119 2 0 "[ . 1 . 2 . 3 . 4]" 1
851 1 73 LEU QD 1 77 TYR QE 4.000 . 5.000 3.945 2.405 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
852 1 74 ALA H 1 75 GLN H 3.000 . 3.500 2.657 2.342 3.011 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
853 1 74 ALA HA 1 75 GLN H 4.000 . 5.000 3.560 3.502 3.594 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
854 1 74 ALA HA 1 77 TYR H 3.000 . 3.500 3.528 3.471 3.592 0.092 14 0 "[ . 1 . 2 . 3 . 4]" 1
855 1 74 ALA HA 1 79 VAL HB 4.000 . 5.000 4.277 2.452 5.034 0.034 39 0 "[ . 1 . 2 . 3 . 4]" 1
856 1 74 ALA HA 1 79 VAL QG 4.000 . 5.000 2.404 2.033 3.369 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
857 1 74 ALA MB 1 75 GLN H 3.000 . 3.500 2.522 2.150 2.868 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
858 1 74 ALA MB 1 76 GLN H 4.000 . 5.000 4.299 4.021 4.638 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
859 1 74 ALA MB 1 77 TYR H 4.000 . 5.000 4.613 4.515 4.706 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
860 1 74 ALA MB 1 78 GLY H 4.000 . 5.000 4.527 4.101 4.954 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
861 1 74 ALA MB 1 79 VAL QG 4.000 . 5.000 2.217 1.758 3.187 0.042 26 0 "[ . 1 . 2 . 3 . 4]" 1
862 1 75 GLN H 1 75 GLN HA 3.000 . 3.500 2.866 2.820 2.928 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
863 1 75 GLN H 1 75 GLN QB 3.000 . 3.500 2.139 1.931 2.445 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
864 1 75 GLN H 1 75 GLN HG2 4.000 . 5.000 3.984 2.214 4.588 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
865 1 75 GLN H 1 75 GLN HG3 4.000 . 5.000 3.732 2.044 4.522 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
866 1 75 GLN H 1 76 GLN H 3.000 . 3.500 2.619 2.418 2.763 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
867 1 75 GLN H 1 77 TYR H 4.000 . 5.000 4.282 3.987 4.581 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
868 1 75 GLN H 1 78 GLY H 4.000 . 5.000 4.777 4.490 5.048 0.048 2 0 "[ . 1 . 2 . 3 . 4]" 1
869 1 75 GLN HA 1 76 GLN H 4.000 . 5.000 3.519 3.485 3.562 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
870 1 75 GLN HA 1 78 GLY H 3.000 . 3.500 3.416 3.034 3.540 0.040 34 0 "[ . 1 . 2 . 3 . 4]" 1
871 1 75 GLN QB 1 76 GLN H 3.000 . 3.500 2.789 2.509 3.568 0.068 3 0 "[ . 1 . 2 . 3 . 4]" 1
872 1 75 GLN HG2 1 76 GLN H 4.000 . 5.000 4.552 3.602 5.008 0.008 33 0 "[ . 1 . 2 . 3 . 4]" 1
873 1 75 GLN HG3 1 76 GLN H 4.000 . 5.000 4.563 1.922 5.024 0.024 7 0 "[ . 1 . 2 . 3 . 4]" 1
874 1 76 GLN H 1 76 GLN HA 3.000 . 3.500 2.869 2.828 2.929 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
875 1 76 GLN H 1 76 GLN HB2 3.000 . 3.500 2.034 1.937 2.253 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
876 1 76 GLN H 1 76 GLN HB3 3.000 . 3.500 3.127 2.755 3.503 0.003 20 0 "[ . 1 . 2 . 3 . 4]" 1
877 1 76 GLN H 1 76 GLN HG3 4.000 . 5.000 3.748 2.596 4.431 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
878 1 76 GLN H 1 77 TYR H 3.000 . 3.500 2.639 2.419 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
879 1 76 GLN H 1 77 TYR QD 4.000 . 5.000 4.429 3.703 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
880 1 76 GLN H 1 78 GLY H 4.000 . 5.000 4.104 3.731 4.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
881 1 76 GLN HA 1 77 TYR H 3.000 . 3.500 3.542 3.511 3.573 0.073 4 0 "[ . 1 . 2 . 3 . 4]" 1
882 1 76 GLN HA 1 77 TYR H 3.000 . 3.500 3.443 3.399 3.486 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
883 1 76 GLN HB2 1 78 GLY H 4.000 . 5.000 5.110 4.597 5.556 0.556 32 2 "[ . 1 . 2 - . 3 + . 4]" 1
884 1 76 GLN HB2 1 77 TYR H 3.000 . 3.500 3.202 2.630 3.514 0.014 33 0 "[ . 1 . 2 . 3 . 4]" 1
885 1 76 GLN HB3 1 77 TYR H 3.000 . 3.500 2.941 2.348 3.524 0.024 20 0 "[ . 1 . 2 . 3 . 4]" 1
886 1 76 GLN HG3 1 77 TYR H 4.000 . 5.000 4.923 4.262 5.275 0.275 37 0 "[ . 1 . 2 . 3 . 4]" 1
887 1 77 TYR H 1 77 TYR HA 3.000 . 3.500 2.944 2.869 2.987 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
888 1 77 TYR H 1 77 TYR HB2 3.000 . 3.500 2.200 2.016 2.419 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
889 1 77 TYR H 1 77 TYR HB3 3.000 . 3.500 3.498 3.364 3.580 0.080 35 0 "[ . 1 . 2 . 3 . 4]" 1
890 1 77 TYR H 1 77 TYR QD 3.000 . 3.500 2.829 2.163 3.193 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
891 1 77 TYR H 1 77 TYR QE 4.000 . 5.000 4.710 4.413 5.007 0.007 9 0 "[ . 1 . 2 . 3 . 4]" 1
892 1 77 TYR H 1 78 GLY H 3.000 . 3.500 2.413 2.182 2.688 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
893 1 77 TYR H 1 79 VAL H 4.000 . 5.000 4.457 3.789 5.049 0.049 14 0 "[ . 1 . 2 . 3 . 4]" 1
894 1 77 TYR H 1 79 VAL QG 4.000 . 5.000 3.819 3.518 4.289 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
895 1 77 TYR HA 1 78 GLY H 3.000 . 3.500 3.538 3.435 3.580 0.080 32 0 "[ . 1 . 2 . 3 . 4]" 1
896 1 77 TYR HB2 1 78 GLY H 4.000 . 5.000 2.658 2.182 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
897 1 77 TYR QD 1 78 GLY H 4.000 . 5.000 4.311 3.865 4.693 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
898 1 78 GLY H 1 78 GLY HA2 3.000 . 3.500 2.510 2.346 2.623 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
899 1 78 GLY H 1 78 GLY HA3 3.000 . 3.500 2.967 2.858 2.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
900 1 78 GLY H 1 79 VAL H 3.000 . 3.500 2.515 1.924 3.300 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
901 1 78 GLY H 1 79 VAL QG 4.000 . 5.000 2.939 2.420 3.675 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
902 1 78 GLY QA 1 79 VAL H 4.000 . 5.000 2.609 2.400 2.960 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
903 1 79 VAL H 1 80 ARG H 4.000 . 5.000 4.249 3.504 4.700 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
904 1 79 VAL HA 1 80 ARG H 2.000 . 2.500 2.322 2.199 2.508 0.008 37 0 "[ . 1 . 2 . 3 . 4]" 1
905 1 79 VAL HA 1 81 GLY H 4.000 . 5.000 3.904 3.300 4.838 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
906 1 79 VAL HA 1 84 THR MG 4.000 . 5.000 3.063 2.112 4.223 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
907 1 79 VAL QG 1 80 ARG H 3.000 . 3.500 3.118 2.227 3.377 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
908 1 79 VAL QG 1 81 GLY H 3.000 . 3.500 2.763 2.030 3.437 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
909 1 79 VAL QG 1 82 TYR QE 3.000 . 3.500 2.128 1.772 3.334 0.028 3 0 "[ . 1 . 2 . 3 . 4]" 1
910 1 79 VAL QG 1 84 THR H 3.000 . 3.500 3.419 3.231 3.509 0.009 13 0 "[ . 1 . 2 . 3 . 4]" 1
911 1 79 VAL QG 1 84 THR HB 3.000 . 3.500 2.522 1.802 3.399 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
912 1 79 VAL QG 1 84 THR MG . . 3.500 2.289 1.704 2.979 0.096 31 0 "[ . 1 . 2 . 3 . 4]" 1
913 1 80 ARG H 1 80 ARG HB2 3.000 . 3.500 2.681 2.002 4.013 0.513 30 1 "[ . 1 . 2 . + . 4]" 1
914 1 80 ARG H 1 80 ARG QD 4.000 . 5.000 4.281 2.310 4.884 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
915 1 80 ARG H 1 80 ARG QG 3.000 . 3.500 3.041 1.896 3.795 0.295 22 0 "[ . 1 . 2 . 3 . 4]" 1
916 1 80 ARG H 1 81 GLY H 3.000 . 3.500 2.533 1.934 3.545 0.045 22 0 "[ . 1 . 2 . 3 . 4]" 1
917 1 80 ARG H 1 84 THR MG 4.000 . 5.000 3.888 2.387 5.005 0.005 27 0 "[ . 1 . 2 . 3 . 4]" 1
918 1 80 ARG HA 1 81 GLY H 4.000 . 5.000 3.116 2.642 3.565 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
919 1 80 ARG HB2 1 81 GLY H 4.000 . 5.000 4.014 2.775 4.674 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
920 1 81 GLY H 1 82 TYR H 4.000 . 5.000 3.976 2.033 4.612 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
921 1 81 GLY QA 1 82 TYR H . . 2.500 2.249 2.159 2.578 0.078 30 0 "[ . 1 . 2 . 3 . 4]" 1
922 1 82 TYR H 1 82 TYR QB . . 3.500 2.554 2.365 3.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
923 1 82 TYR H 1 82 TYR QD 3.000 . 3.500 2.965 1.956 3.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
924 1 82 TYR H 1 82 TYR QE 4.000 . 5.000 4.374 3.998 4.903 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
925 1 82 TYR H 1 83 PRO HA 4.000 . 5.000 4.636 4.550 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
926 1 82 TYR HA 1 83 PRO HA 3.000 . 3.500 2.165 1.981 2.536 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
927 1 82 TYR HA 1 84 THR H 3.000 . 3.500 2.564 2.068 3.168 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
928 1 82 TYR QB 1 83 PRO HA 4.000 . 5.000 2.020 1.874 2.475 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
929 1 82 TYR QB 1 84 THR H 4.000 . 5.000 3.526 2.399 4.020 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
930 1 82 TYR QD 1 84 THR H 3.000 . 3.500 3.124 2.237 3.530 0.030 39 0 "[ . 1 . 2 . 3 . 4]" 1
931 1 83 PRO HA 1 84 THR H 2.000 . 2.500 2.256 2.219 2.347 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
932 1 83 PRO HB2 1 84 THR H 4.000 . 5.000 3.466 3.027 3.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
933 1 84 THR H 1 84 THR HA 3.000 . 3.500 2.987 2.959 3.005 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
934 1 84 THR H 1 84 THR HB 3.000 . 3.500 2.651 2.327 3.040 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
935 1 84 THR H 1 85 ILE H 4.000 . 5.000 4.205 3.768 4.510 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
936 1 84 THR HA 1 85 ILE H 2.000 . 2.500 2.265 2.216 2.382 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
937 1 84 THR HB 1 85 ILE H 4.000 . 5.000 4.308 3.960 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
938 1 84 THR MG 1 85 ILE H 3.000 . 3.500 3.287 2.557 3.515 0.015 31 0 "[ . 1 . 2 . 3 . 4]" 1
939 1 85 ILE H 1 85 ILE HB 3.000 . 3.500 2.437 2.315 2.672 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
940 1 85 ILE H 1 85 ILE MD 3.000 . 3.500 2.163 1.852 2.801 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
941 1 85 ILE H 1 85 ILE HG12 4.000 . 5.000 3.714 1.924 4.507 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
942 1 85 ILE H 1 99 TYR QB 4.000 . 5.000 4.340 3.584 4.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
943 1 85 ILE HA 1 86 LYS H 3.000 . 3.500 2.250 2.200 2.345 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
944 1 85 ILE MG 1 86 LYS H 3.000 . 3.500 2.587 2.094 3.546 0.046 23 0 "[ . 1 . 2 . 3 . 4]" 1
945 1 85 ILE MG 1 99 TYR QB 4.000 . 5.000 2.171 1.653 3.311 0.147 34 0 "[ . 1 . 2 . 3 . 4]" 1
946 1 86 LYS H 1 86 LYS HA 3.000 . 3.500 2.988 2.943 3.006 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
947 1 86 LYS H 1 86 LYS HG3 4.000 . 5.000 3.791 2.462 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
948 1 86 LYS H 1 87 PHE H 4.000 . 5.000 3.925 3.851 3.993 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
949 1 86 LYS HA 1 87 PHE H 3.000 . 3.500 2.366 2.238 2.513 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
950 1 86 LYS HA 1 98 GLU HA 3.000 . 3.500 2.624 2.109 3.042 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
951 1 86 LYS HA 1 99 TYR H 4.000 . 5.000 3.319 2.462 4.116 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
952 1 86 LYS QB 1 87 PHE H 3.000 . 3.500 2.705 2.374 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
953 1 86 LYS QB 1 97 LYS H 4.000 . 5.000 4.540 3.700 5.291 0.291 16 0 "[ . 1 . 2 . 3 . 4]" 1
954 1 86 LYS QB 1 87 PHE H 3.000 . 3.500 2.957 2.379 3.391 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
955 1 86 LYS QD 1 87 PHE H 4.000 . 5.000 4.495 3.503 5.003 0.003 21 0 "[ . 1 . 2 . 3 . 4]" 1
956 1 87 PHE H 1 87 PHE HB2 3.000 . 3.500 3.001 2.721 3.313 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
957 1 87 PHE H 1 87 PHE HB3 3.000 . 3.500 2.467 2.256 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
958 1 87 PHE H 1 97 LYS H 3.000 . 3.500 3.316 2.722 3.529 0.029 27 0 "[ . 1 . 2 . 3 . 4]" 1
959 1 87 PHE H 1 97 LYS HB2 4.000 . 5.000 3.906 2.964 4.870 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
960 1 87 PHE H 1 98 GLU HA 3.000 . 3.500 3.450 3.175 3.540 0.040 34 0 "[ . 1 . 2 . 3 . 4]" 1
961 1 87 PHE H 1 99 TYR H 4.000 . 5.000 4.594 3.646 5.011 0.011 10 0 "[ . 1 . 2 . 3 . 4]" 1
962 1 87 PHE HA 1 88 PHE H 3.000 . 3.500 2.217 2.196 2.235 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
963 1 87 PHE HB2 1 88 PHE H 4.000 . 5.000 4.318 4.216 4.511 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
964 1 87 PHE HB2 1 97 LYS H 4.000 . 5.000 4.877 4.327 5.040 0.040 21 0 "[ . 1 . 2 . 3 . 4]" 1
965 1 87 PHE HB3 1 88 PHE H 4.000 . 5.000 4.305 4.049 4.442 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
966 1 87 PHE HB3 1 97 LYS H 4.000 . 5.000 3.240 2.569 3.527 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
967 1 87 PHE QD 1 97 LYS H 4.000 . 5.000 4.104 2.752 4.995 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
968 1 87 PHE QD 1 111 TRP HZ3 4.000 . 5.000 2.615 1.988 3.730 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
969 1 87 PHE QE 1 89 ARG H 4.000 . 5.000 4.944 4.425 5.057 0.057 29 0 "[ . 1 . 2 . 3 . 4]" 1
970 1 88 PHE H 1 88 PHE HA 3.000 . 3.500 2.994 2.978 3.001 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
971 1 88 PHE H 1 88 PHE HB2 3.000 . 3.500 2.285 2.182 2.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
972 1 88 PHE H 1 88 PHE HB3 3.000 . 3.500 3.567 3.510 3.643 0.143 20 0 "[ . 1 . 2 . 3 . 4]" 1
973 1 88 PHE H 1 88 PHE QD 3.000 . 3.500 2.869 2.084 3.402 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
974 1 88 PHE H 1 88 PHE QE 4.000 . 5.000 4.932 4.359 5.048 0.048 25 0 "[ . 1 . 2 . 3 . 4]" 1
975 1 88 PHE H 1 89 ARG H 4.000 . 5.000 4.498 4.163 4.597 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
976 1 88 PHE HA 1 89 ARG H 2.000 . 2.500 2.332 2.214 2.498 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
977 1 88 PHE HB2 1 89 ARG H 4.000 . 5.000 4.136 3.786 4.521 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
978 1 88 PHE HB3 1 89 ARG H 4.000 . 5.000 3.045 2.480 3.908 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
979 1 88 PHE QD 1 89 ARG H 4.000 . 5.000 3.682 3.228 4.668 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
980 1 89 ARG H 1 89 ARG HB2 3.000 . 3.500 2.968 2.037 3.919 0.419 14 0 "[ . 1 . 2 . 3 . 4]" 1
981 1 89 ARG H 1 89 ARG HB3 4.000 . 5.000 2.828 2.387 3.400 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
982 1 89 ARG H 1 89 ARG QD 4.000 . 5.000 4.360 2.746 5.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
983 1 89 ARG H 1 89 ARG QG 4.000 . 5.000 3.633 1.882 4.261 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
984 1 89 ARG H 1 90 ASN H 4.000 . 5.000 4.200 3.810 4.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
985 1 89 ARG H 1 92 ASP H 4.000 . 5.000 3.551 2.608 4.958 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
986 1 89 ARG H 1 96 PRO HA 4.000 . 5.000 4.562 3.810 5.007 0.007 17 0 "[ . 1 . 2 . 3 . 4]" 1
987 1 89 ARG HA 1 90 ASN H 2.000 . 2.500 2.272 2.183 2.650 0.150 18 0 "[ . 1 . 2 . 3 . 4]" 1
988 1 89 ARG HA 1 91 GLY H 4.000 . 5.000 4.438 3.593 5.017 0.017 27 0 "[ . 1 . 2 . 3 . 4]" 1
989 1 89 ARG HB3 1 90 ASN H 4.000 . 5.000 4.136 2.398 4.483 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
990 1 90 ASN H 1 90 ASN HA 3.000 . 3.500 2.413 2.351 2.878 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
991 1 90 ASN H 1 90 ASN HB2 3.000 . 3.500 3.008 2.012 3.809 0.309 37 0 "[ . 1 . 2 . 3 . 4]" 1
992 1 90 ASN H 1 90 ASN HB3 3.000 . 3.500 3.358 2.316 3.637 0.137 38 0 "[ . 1 . 2 . 3 . 4]" 1
993 1 90 ASN H 1 91 GLY H 3.000 . 3.500 3.126 2.805 3.663 0.163 12 0 "[ . 1 . 2 . 3 . 4]" 1
994 1 90 ASN HA 1 91 GLY H 3.000 . 3.500 2.741 2.399 3.519 0.019 18 0 "[ . 1 . 2 . 3 . 4]" 1
995 1 90 ASN HB2 1 91 GLY H 4.000 . 5.000 4.611 3.973 4.692 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
996 1 90 ASN HB3 1 91 GLY H 4.000 . 5.000 4.322 3.912 4.677 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
997 1 91 GLY H 1 92 ASP H 3.000 . 3.500 3.245 1.948 3.522 0.022 21 0 "[ . 1 . 2 . 3 . 4]" 1
998 1 91 GLY QA 1 92 ASP H 3.000 . 3.500 2.382 2.181 2.816 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
999 1 92 ASP H 1 92 ASP HA 3.000 . 3.500 2.929 2.371 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1000 1 92 ASP H 1 92 ASP HB2 3.000 . 3.500 2.522 1.943 3.525 0.025 28 0 "[ . 1 . 2 . 3 . 4]" 1
1001 1 92 ASP H 1 92 ASP HB3 3.000 . 3.500 2.938 1.989 3.556 0.056 32 0 "[ . 1 . 2 . 3 . 4]" 1
1002 1 92 ASP H 1 93 THR H 3.000 . 3.500 2.539 1.952 3.476 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1003 1 92 ASP HA 1 93 THR H 4.000 . 5.000 3.445 2.398 3.593 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1004 1 92 ASP HB2 1 93 THR H 4.000 . 5.000 3.440 2.102 4.661 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1005 1 92 ASP HB3 1 93 THR H 4.000 . 5.000 2.863 1.949 4.463 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1006 1 93 THR H 1 93 THR MG 3.000 . 3.500 2.590 1.905 3.586 0.086 32 0 "[ . 1 . 2 . 3 . 4]" 1
1007 1 93 THR H 1 94 ALA HA 4.000 . 5.000 4.849 4.388 5.056 0.056 17 0 "[ . 1 . 2 . 3 . 4]" 1
1008 1 94 ALA H 1 94 ALA HA 3.000 . 3.500 2.822 2.347 3.000 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1009 1 94 ALA H 1 94 ALA MB 3.000 . 3.500 2.536 1.918 2.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1010 1 94 ALA H 1 95 SER H 3.000 . 3.500 2.698 1.940 3.645 0.145 29 0 "[ . 1 . 2 . 3 . 4]" 1
1011 1 94 ALA HA 1 95 SER H 3.000 . 3.500 3.411 2.255 3.574 0.074 10 0 "[ . 1 . 2 . 3 . 4]" 1
1012 1 94 ALA HA 1 95 SER H 3.000 . 3.500 3.287 2.253 3.469 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1013 1 94 ALA MB 1 95 SER H 3.000 . 3.500 2.461 1.897 3.603 0.103 38 0 "[ . 1 . 2 . 3 . 4]" 1
1014 1 95 SER H 1 95 SER HA 3.000 . 3.500 2.917 2.364 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1015 1 95 SER H 1 95 SER HB2 4.000 . 5.000 2.984 2.324 3.894 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1016 1 95 SER H 1 95 SER HB3 3.000 . 3.500 3.134 2.301 4.056 0.556 3 1 "[ + . 1 . 2 . 3 . 4]" 1
1017 1 95 SER H 1 96 PRO HD3 4.000 . 5.000 2.995 1.929 3.922 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1018 1 95 SER HA 1 96 PRO HD2 3.000 . 3.500 2.243 2.017 2.494 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1019 1 95 SER HA 1 96 PRO HD3 3.000 . 3.500 2.940 2.537 3.274 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1020 1 96 PRO HA 1 97 LYS H 2.000 . 2.500 2.439 2.259 2.529 0.029 26 0 "[ . 1 . 2 . 3 . 4]" 1
1021 1 96 PRO HB2 1 97 LYS H 3.000 . 3.500 2.752 2.499 3.312 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1022 1 96 PRO HB2 1 98 GLU H 4.000 . 5.000 4.578 4.118 5.015 0.015 29 0 "[ . 1 . 2 . 3 . 4]" 1
1023 1 96 PRO HB3 1 97 LYS H 4.000 . 5.000 3.584 3.455 3.898 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1024 1 96 PRO QG 1 97 LYS H 4.000 . 5.000 4.245 4.074 4.571 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1025 1 97 LYS H 1 97 LYS HA 3.000 . 3.500 2.979 2.926 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1026 1 97 LYS H 1 97 LYS HB2 3.000 . 3.500 2.213 2.007 3.138 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1027 1 97 LYS H 1 97 LYS HB3 3.000 . 3.500 3.430 2.168 3.621 0.121 21 0 "[ . 1 . 2 . 3 . 4]" 1
1028 1 97 LYS H 1 97 LYS QG 3.000 . 3.500 3.150 2.531 3.678 0.178 33 0 "[ . 1 . 2 . 3 . 4]" 1
1029 1 97 LYS H 1 98 GLU H 4.000 . 5.000 4.471 4.054 4.636 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1030 1 97 LYS HA 1 98 GLU H 2.000 . 2.500 2.383 2.205 2.580 0.080 12 0 "[ . 1 . 2 . 3 . 4]" 1
1031 1 97 LYS HB2 1 98 GLU H 3.000 . 3.500 3.217 1.936 3.958 0.458 38 0 "[ . 1 . 2 . 3 . 4]" 1
1032 1 97 LYS HB3 1 98 GLU H 4.000 . 5.000 3.077 2.255 4.137 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1033 1 97 LYS QG 1 98 GLU H 4.000 . 5.000 3.874 1.914 4.680 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1034 1 98 GLU H 1 99 TYR H 4.000 . 5.000 4.549 4.093 4.703 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1035 1 98 GLU HA 1 99 TYR H 2.000 . 2.500 2.311 2.205 2.451 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1036 1 98 GLU QB 1 100 THR MG 4.000 . 5.000 3.934 2.572 4.911 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1037 1 98 GLU HG2 1 100 THR MG 4.000 . 5.000 4.061 2.265 5.058 0.058 12 0 "[ . 1 . 2 . 3 . 4]" 1
1038 1 98 GLU HG3 1 100 THR MG 4.000 . 5.000 3.727 2.220 5.002 0.002 4 0 "[ . 1 . 2 . 3 . 4]" 1
1039 1 99 TYR H 1 100 THR H 4.000 . 5.000 4.530 4.061 4.682 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1040 1 99 TYR HA 1 100 THR H 2.000 . 2.500 2.247 2.207 2.351 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1041 1 99 TYR HA 1 111 TRP HZ2 4.000 . 5.000 4.048 3.136 5.011 0.011 30 0 "[ . 1 . 2 . 3 . 4]" 1
1042 1 99 TYR QD 1 100 THR H 3.000 . 3.500 2.966 2.361 3.509 0.009 28 0 "[ . 1 . 2 . 3 . 4]" 1
1043 1 99 TYR QD 1 101 ALA MB 4.000 . 5.000 3.396 2.024 4.526 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1044 1 99 TYR QD 1 108 ILE MD 4.000 . 5.000 4.064 3.202 4.720 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1045 1 99 TYR QE 1 101 ALA MB 3.000 . 3.500 2.817 2.007 3.505 0.005 28 0 "[ . 1 . 2 . 3 . 4]" 1
1046 1 99 TYR QE 1 108 ILE H 4.000 . 5.000 4.585 3.957 5.028 0.028 17 0 "[ . 1 . 2 . 3 . 4]" 1
1047 1 99 TYR QE 1 108 ILE MD 3.000 . 3.500 3.115 2.198 3.584 0.084 30 0 "[ . 1 . 2 . 3 . 4]" 1
1048 1 99 TYR QE 1 111 TRP H 3.000 . 3.500 3.513 3.308 3.667 0.167 40 0 "[ . 1 . 2 . 3 . 4]" 1
1049 1 99 TYR QE 1 111 TRP HB3 4.000 . 5.000 2.292 1.903 3.013 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1050 1 99 TYR QE 1 112 LEU H 4.000 . 5.000 4.515 4.025 4.998 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1051 1 100 THR H 1 100 THR HA 3.000 . 3.500 2.964 2.831 3.004 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1052 1 100 THR H 1 100 THR MG 3.000 . 3.500 2.595 1.948 3.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1053 1 100 THR H 1 111 TRP HE1 3.000 . 3.500 3.165 2.341 3.512 0.012 39 0 "[ . 1 . 2 . 3 . 4]" 1
1054 1 101 ALA HA 1 102 GLY H 3.000 . 3.500 3.003 2.624 3.552 0.052 25 0 "[ . 1 . 2 . 3 . 4]" 1
1055 1 101 ALA MB 1 102 GLY H 3.000 . 3.500 1.992 1.894 2.277 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1056 1 101 ALA MB 1 111 TRP H 4.000 . 5.000 4.388 3.312 5.012 0.012 7 0 "[ . 1 . 2 . 3 . 4]" 1
1057 1 101 ALA MB 1 111 TRP HB3 4.000 . 5.000 4.435 3.337 5.600 0.600 17 2 "[ . 1 . + 2 . 3- . 4]" 1
1058 1 101 ALA MB 1 111 TRP HD1 4.000 . 5.000 3.159 2.022 4.413 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1059 1 102 GLY H 1 103 ARG H 3.000 . 3.500 2.816 2.180 3.541 0.041 14 0 "[ . 1 . 2 . 3 . 4]" 1
1060 1 102 GLY H 1 107 ASP H 4.000 . 5.000 4.230 3.738 4.517 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1061 1 102 GLY H 1 107 ASP HB2 3.000 . 3.500 3.464 2.397 3.568 0.068 39 0 "[ . 1 . 2 . 3 . 4]" 1
1062 1 102 GLY H 1 107 ASP HB3 3.000 . 3.500 2.429 1.938 2.719 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1063 1 102 GLY QA 1 103 ARG H 2.000 . 2.500 2.378 2.165 2.603 0.103 3 0 "[ . 1 . 2 . 3 . 4]" 1
1064 1 102 GLY QA 1 104 GLU H 4.000 . 5.000 4.092 3.737 4.544 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1065 1 103 ARG H 1 103 ARG HB2 4.000 . 5.000 2.820 2.187 3.981 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1066 1 103 ARG H 1 103 ARG HB3 3.000 . 3.500 3.309 2.578 4.013 0.513 3 1 "[ + . 1 . 2 . 3 . 4]" 1
1067 1 103 ARG H 1 103 ARG QD 4.000 . 5.000 4.677 3.847 5.036 0.036 25 0 "[ . 1 . 2 . 3 . 4]" 1
1068 1 103 ARG H 1 104 GLU H 3.000 . 3.500 2.126 1.925 3.092 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1069 1 103 ARG H 1 107 ASP HB2 4.000 . 5.000 2.828 2.186 4.455 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1070 1 103 ARG HA 1 104 GLU H 3.000 . 3.500 3.344 2.654 3.573 0.073 4 0 "[ . 1 . 2 . 3 . 4]" 1
1071 1 103 ARG HB3 1 104 GLU H 4.000 . 5.000 3.162 2.025 4.591 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1072 1 103 ARG HG2 1 104 GLU H 4.000 . 5.000 4.530 3.579 5.247 0.247 22 0 "[ . 1 . 2 . 3 . 4]" 1
1073 1 104 GLU H 1 104 GLU HA 3.000 . 3.500 2.951 2.877 3.002 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1074 1 104 GLU H 1 104 GLU HB2 3.000 . 3.500 2.465 1.972 2.951 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1075 1 104 GLU H 1 104 GLU HG3 3.000 . 3.500 3.326 2.485 4.199 0.699 31 1 "[ . 1 . 2 . 3+ . 4]" 1
1076 1 104 GLU H 1 105 ALA H 4.000 . 5.000 4.404 4.216 4.482 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1077 1 104 GLU H 1 106 ASP H 4.000 . 5.000 4.603 4.094 5.061 0.061 40 0 "[ . 1 . 2 . 3 . 4]" 1
1078 1 104 GLU H 1 107 ASP H 4.000 . 5.000 3.207 2.822 3.853 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1079 1 104 GLU H 1 107 ASP HB2 3.000 . 3.500 2.093 1.934 3.265 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1080 1 104 GLU H 1 107 ASP HB3 3.000 . 3.500 3.413 2.842 3.596 0.096 14 0 "[ . 1 . 2 . 3 . 4]" 1
1081 1 104 GLU H 1 108 ILE H 4.000 . 5.000 4.410 3.313 4.896 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1082 1 104 GLU H 1 108 ILE MD 4.000 . 5.000 4.661 3.461 5.020 0.020 27 0 "[ . 1 . 2 . 3 . 4]" 1
1083 1 104 GLU HA 1 105 ALA H 2.000 . 2.500 2.421 2.209 2.550 0.050 7 0 "[ . 1 . 2 . 3 . 4]" 1
1084 1 104 GLU HA 1 106 ASP H 4.000 . 5.000 4.268 3.905 4.681 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1085 1 104 GLU HA 1 107 ASP H 4.000 . 5.000 4.677 4.505 4.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1086 1 104 GLU HB2 1 107 ASP H 3.000 . 3.500 2.930 2.167 3.516 0.016 33 0 "[ . 1 . 2 . 3 . 4]" 1
1087 1 104 GLU HB3 1 105 ALA H 3.000 . 3.500 3.362 2.245 4.263 0.763 3 4 "[ + . 1* . - * . 3 . 4]" 1
1088 1 104 GLU HB3 1 106 ASP H 4.000 . 5.000 3.750 2.587 4.657 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1089 1 104 GLU HB3 1 107 ASP H 4.000 . 5.000 4.438 3.316 5.072 0.072 21 0 "[ . 1 . 2 . 3 . 4]" 1
1090 1 105 ALA H 1 105 ALA HA 3.000 . 3.500 2.781 2.635 2.848 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1091 1 105 ALA H 1 105 ALA MB 3.000 . 3.500 1.995 1.921 2.134 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1092 1 105 ALA H 1 106 ASP H 3.000 . 3.500 2.914 2.690 3.372 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1093 1 105 ALA H 1 107 ASP H 4.000 . 5.000 4.479 4.158 4.817 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1094 1 105 ALA HA 1 106 ASP H 4.000 . 5.000 3.547 3.501 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1095 1 105 ALA HA 1 108 ILE HB 4.000 . 5.000 2.975 2.529 3.375 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1096 1 105 ALA HA 1 108 ILE MD 4.000 . 5.000 3.380 2.041 4.103 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1097 1 105 ALA MB 1 106 ASP H 3.000 . 3.500 2.636 2.285 2.839 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1098 1 105 ALA MB 1 107 ASP H 4.000 . 5.000 4.562 4.185 4.851 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1099 1 105 ALA MB 1 108 ILE MD 4.000 . 5.000 4.499 3.497 5.121 0.121 40 0 "[ . 1 . 2 . 3 . 4]" 1
1100 1 105 ALA MB 1 109 VAL H 4.000 . 5.000 4.627 4.286 4.856 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1101 1 105 ALA O 1 109 VAL H 2.300 . 2.300 2.207 1.875 2.346 0.046 14 0 "[ . 1 . 2 . 3 . 4]" 1
1102 1 105 ALA O 1 109 VAL N 3.300 2.400 3.300 3.158 2.842 3.308 0.008 14 0 "[ . 1 . 2 . 3 . 4]" 1
1103 1 106 ASP H 1 106 ASP HA 3.000 . 3.500 2.859 2.785 2.932 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1104 1 106 ASP H 1 106 ASP HB3 3.000 . 3.500 3.009 1.947 3.543 0.043 1 0 "[ . 1 . 2 . 3 . 4]" 1
1105 1 106 ASP H 1 107 ASP H 3.000 . 3.500 2.708 2.486 2.943 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1106 1 106 ASP H 1 108 ILE H 4.000 . 5.000 4.065 3.780 4.641 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1107 1 106 ASP H 1 109 VAL QG 4.000 . 5.000 4.589 4.035 4.892 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1108 1 106 ASP HA 1 107 ASP H 3.000 . 3.500 3.547 3.468 3.577 0.077 19 0 "[ . 1 . 2 . 3 . 4]" 1
1109 1 106 ASP HA 1 109 VAL H 3.000 . 3.500 3.405 3.177 3.473 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1110 1 106 ASP HA 1 109 VAL H 3.000 . 3.500 3.492 3.220 3.581 0.081 3 0 "[ . 1 . 2 . 3 . 4]" 1
1111 1 106 ASP HA 1 109 VAL HB 3.000 . 3.500 3.042 2.637 3.643 0.143 28 0 "[ . 1 . 2 . 3 . 4]" 1
1112 1 106 ASP HA 1 109 VAL QG 4.000 . 5.000 3.007 1.791 3.602 0.009 8 0 "[ . 1 . 2 . 3 . 4]" 1
1113 1 106 ASP QB 1 107 ASP H 3.000 . 3.500 2.593 2.242 3.526 0.026 27 0 "[ . 1 . 2 . 3 . 4]" 1
1114 1 106 ASP QB 1 108 ILE H 4.000 . 5.000 4.511 4.251 5.009 0.009 14 0 "[ . 1 . 2 . 3 . 4]" 1
1115 1 106 ASP QB 1 110 ASN HD21 4.000 . 5.000 3.888 2.680 5.041 0.041 16 0 "[ . 1 . 2 . 3 . 4]" 1
1116 1 106 ASP QB 1 110 ASN HD22 4.000 . 5.000 4.565 3.013 5.046 0.046 25 0 "[ . 1 . 2 . 3 . 4]" 1
1117 1 107 ASP H 1 107 ASP HA 3.000 . 3.500 2.864 2.805 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1118 1 107 ASP H 1 107 ASP HB2 3.000 . 3.500 2.076 1.945 2.779 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1119 1 107 ASP H 1 107 ASP HB3 3.000 . 3.500 3.370 2.181 3.511 0.011 37 0 "[ . 1 . 2 . 3 . 4]" 1
1120 1 107 ASP H 1 108 ILE H 3.000 . 3.500 2.631 2.438 2.858 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1121 1 107 ASP H 1 108 ILE HB 4.000 . 5.000 4.768 4.413 5.024 0.024 28 0 "[ . 1 . 2 . 3 . 4]" 1
1122 1 107 ASP H 1 108 ILE MD 4.000 . 5.000 4.916 4.486 5.091 0.091 30 0 "[ . 1 . 2 . 3 . 4]" 1
1123 1 107 ASP H 1 108 ILE QG 4.000 . 5.000 3.854 3.557 4.295 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1124 1 107 ASP HA 1 108 ILE H 3.000 . 3.500 3.507 3.449 3.554 0.054 18 0 "[ . 1 . 2 . 3 . 4]" 1
1125 1 107 ASP HA 1 110 ASN H 3.000 . 3.500 2.749 2.682 2.832 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1126 1 107 ASP HA 1 111 TRP H 3.000 . 3.500 3.357 3.122 3.506 0.006 10 0 "[ . 1 . 2 . 3 . 4]" 1
1127 1 107 ASP HB2 1 108 ILE H 3.000 . 3.500 3.061 2.562 3.592 0.092 14 0 "[ . 1 . 2 . 3 . 4]" 1
1128 1 107 ASP HB3 1 108 ILE H 3.000 . 3.500 3.467 3.260 3.768 0.268 32 0 "[ . 1 . 2 . 3 . 4]" 1
1129 1 108 ILE H 1 108 ILE HA 3.000 . 3.500 2.908 2.811 2.969 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1130 1 108 ILE H 1 108 ILE HB 3.000 . 3.500 2.394 2.228 2.535 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1131 1 108 ILE H 1 108 ILE QG 3.000 . 3.500 2.037 1.891 2.450 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1132 1 108 ILE H 1 109 VAL H 3.000 . 3.500 2.612 2.355 2.971 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1133 1 108 ILE HA 1 109 VAL H 4.000 . 5.000 3.580 3.552 3.596 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1134 1 108 ILE HB 1 109 VAL H 3.000 . 3.500 2.352 2.031 2.620 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1135 1 108 ILE MG 1 109 VAL H 3.000 . 3.500 3.321 2.958 3.511 0.011 2 0 "[ . 1 . 2 . 3 . 4]" 1
1136 1 108 ILE O 1 112 LEU H 2.300 . 2.300 2.298 2.083 2.362 0.062 9 0 "[ . 1 . 2 . 3 . 4]" 1
1137 1 108 ILE O 1 112 LEU N 3.300 2.400 3.300 3.119 2.857 3.325 0.025 30 0 "[ . 1 . 2 . 3 . 4]" 1
1138 1 109 VAL H 1 109 VAL HA 3.000 . 3.500 2.871 2.825 2.924 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1139 1 109 VAL H 1 109 VAL HB 3.000 . 3.500 2.379 2.268 2.438 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1140 1 109 VAL H 1 109 VAL QG 3.000 . 3.500 2.122 1.925 2.308 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1141 1 109 VAL H 1 110 ASN H 3.000 . 3.500 2.658 2.421 2.842 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1142 1 109 VAL H 1 110 ASN QB 4.000 . 5.000 4.276 3.951 4.844 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1143 1 109 VAL HA 1 110 ASN H 4.000 . 5.000 3.555 3.522 3.592 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1144 1 109 VAL HA 1 112 LEU H 3.000 . 3.500 3.336 3.085 3.570 0.070 30 0 "[ . 1 . 2 . 3 . 4]" 1
1145 1 109 VAL HA 1 113 LYS H 4.000 . 5.000 3.783 3.569 4.009 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1146 1 109 VAL HB 1 110 ASN H 3.000 . 3.500 2.662 2.293 3.691 0.191 27 0 "[ . 1 . 2 . 3 . 4]" 1
1147 1 109 VAL QG 1 110 ASN H . . 3.500 3.075 1.797 3.287 0.003 40 0 "[ . 1 . 2 . 3 . 4]" 1
1148 1 109 VAL QG 1 113 LYS H 3.000 . 3.500 3.440 3.256 3.492 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1149 1 110 ASN H 1 110 ASN QB 3.000 . 3.500 2.054 1.936 2.371 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1150 1 110 ASN H 1 110 ASN HD21 4.000 . 5.000 3.565 2.078 4.635 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1151 1 110 ASN H 1 111 TRP H 3.000 . 3.500 2.835 2.569 3.069 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1152 1 110 ASN HA 1 111 TRP H 3.000 . 3.500 3.562 3.518 3.579 0.079 34 0 "[ . 1 . 2 . 3 . 4]" 1
1153 1 110 ASN HA 1 113 LYS H 3.000 . 3.500 3.520 3.235 3.625 0.125 30 0 "[ . 1 . 2 . 3 . 4]" 1
1154 1 110 ASN HA 1 114 LYS H 4.000 . 5.000 4.449 3.726 5.010 0.010 13 0 "[ . 1 . 2 . 3 . 4]" 1
1155 1 110 ASN QB 1 111 TRP H 3.000 . 3.500 2.464 1.985 3.252 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1156 1 111 TRP H 1 111 TRP HA 3.000 . 3.500 2.874 2.820 2.952 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1157 1 111 TRP H 1 111 TRP HB2 3.000 . 3.500 2.164 1.945 2.418 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1158 1 111 TRP H 1 111 TRP HB3 3.000 . 3.500 2.784 2.453 3.228 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1159 1 111 TRP H 1 112 LEU H 3.000 . 3.500 2.595 2.273 2.797 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1160 1 111 TRP H 1 112 LEU HB2 4.000 . 5.000 4.174 3.878 5.012 0.012 19 0 "[ . 1 . 2 . 3 . 4]" 1
1161 1 111 TRP HA 1 112 LEU H 3.000 . 3.500 3.513 3.411 3.582 0.082 30 0 "[ . 1 . 2 . 3 . 4]" 1
1162 1 111 TRP HA 1 114 LYS H 3.000 . 3.500 2.785 2.673 2.930 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1163 1 111 TRP HA 1 114 LYS QB 4.000 . 5.000 2.634 2.136 3.753 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1164 1 111 TRP HB2 1 112 LEU H 3.000 . 3.500 2.814 2.681 2.891 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1165 1 112 LEU H 1 112 LEU HB2 3.000 . 3.500 2.060 1.850 2.826 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1166 1 112 LEU H 1 112 LEU HB3 3.000 . 3.500 3.291 2.201 3.515 0.015 17 0 "[ . 1 . 2 . 3 . 4]" 1
1167 1 112 LEU H 1 112 LEU QD 3.000 . 3.500 2.983 2.194 3.421 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1168 1 112 LEU HA 1 113 LYS H 4.000 . 5.000 3.569 3.517 3.601 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1169 1 112 LEU HA 1 114 LYS H 4.000 . 5.000 3.922 3.663 4.519 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1170 1 112 LEU HA 1 115 ARG H 4.000 . 5.000 4.586 3.650 5.037 0.037 34 0 "[ . 1 . 2 . 3 . 4]" 1
1171 1 112 LEU HB2 1 113 LYS H 3.000 . 3.500 2.904 2.344 3.980 0.480 19 0 "[ . 1 . 2 . 3 . 4]" 1
1172 1 113 LYS H 1 113 LYS HA 3.000 . 3.500 2.936 2.832 2.983 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1173 1 113 LYS H 1 113 LYS QB 3.000 . 3.500 2.177 1.928 2.575 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1174 1 113 LYS H 1 113 LYS HD2 3.000 . 3.500 3.793 2.788 4.004 0.504 19 3 "[ . 1 . +2 * 3 -. 4]" 1
1175 1 113 LYS H 1 113 LYS QG 3.000 . 3.500 2.925 1.909 3.910 0.410 19 0 "[ . 1 . 2 . 3 . 4]" 1
1176 1 113 LYS H 1 114 LYS H 3.000 . 3.500 2.619 2.382 3.018 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1177 1 113 LYS H 1 114 LYS HA 4.000 . 5.000 4.857 4.415 5.214 0.214 40 0 "[ . 1 . 2 . 3 . 4]" 1
1178 1 113 LYS HA 1 114 LYS H 4.000 . 5.000 3.312 2.968 3.554 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1179 1 113 LYS HA 1 116 THR H 4.000 . 5.000 3.130 2.523 4.053 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1180 1 113 LYS HA 1 117 GLY H 4.000 . 5.000 3.712 2.073 4.893 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1181 1 113 LYS HD2 1 114 LYS H 4.000 . 5.000 4.043 3.220 4.598 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1182 1 113 LYS QG 1 116 THR H 4.000 . 5.000 4.689 3.560 5.096 0.096 11 0 "[ . 1 . 2 . 3 . 4]" 1
1183 1 113 LYS QG 1 117 GLY H 4.000 . 5.000 4.401 2.800 5.062 0.062 34 0 "[ . 1 . 2 . 3 . 4]" 1
1184 1 114 LYS H 1 114 LYS QB 3.000 . 3.500 2.076 1.925 2.310 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1185 1 114 LYS H 1 114 LYS HG2 4.000 . 5.000 4.100 2.123 4.574 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1186 1 114 LYS H 1 117 GLY H 4.000 . 5.000 4.019 2.589 4.874 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1187 1 115 ARG H 1 116 THR H 3.000 . 3.500 2.280 1.935 3.025 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1188 1 115 ARG HA 1 116 THR H 3.000 . 3.500 3.309 2.607 3.573 0.073 30 0 "[ . 1 . 2 . 3 . 4]" 1
1189 1 115 ARG HB3 1 116 THR H 4.000 . 5.000 3.722 2.663 4.607 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1190 1 116 THR H 1 116 THR HA 3.000 . 3.500 2.887 2.355 3.003 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1191 1 116 THR H 1 116 THR HB 4.000 . 5.000 3.435 2.221 3.905 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1192 1 116 THR H 1 116 THR MG 3.000 . 3.500 2.972 1.944 3.670 0.170 23 0 "[ . 1 . 2 . 3 . 4]" 1
1193 1 116 THR H 1 117 GLY H 3.000 . 3.500 2.635 1.942 3.452 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1194 1 116 THR HA 1 117 GLY H 3.000 . 3.500 2.553 2.110 2.836 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1195 1 116 THR HB 1 117 GLY H 4.000 . 5.000 3.611 2.008 4.678 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1196 1 116 THR MG 1 117 GLY H 4.000 . 5.000 3.839 1.872 4.430 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1197 1 117 GLY H 1 117 GLY HA3 3.000 . 3.500 2.638 2.346 2.992 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1198 1 117 GLY H 1 118 PRO QD 4.000 . 5.000 4.326 4.187 4.420 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1199 1 117 GLY HA2 1 118 PRO QD 2.000 . 2.500 2.353 2.167 2.572 0.072 25 0 "[ . 1 . 2 . 3 . 4]" 1
1200 1 117 GLY HA3 1 118 PRO QD 2.000 . 2.500 2.310 2.081 2.514 0.014 1 0 "[ . 1 . 2 . 3 . 4]" 1
1201 1 117 GLY HA3 1 119 ALA H 4.000 . 5.000 4.160 3.169 4.907 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1202 1 118 PRO HA 1 119 ALA H 3.000 . 3.500 2.809 2.218 3.577 0.077 1 0 "[ . 1 . 2 . 3 . 4]" 1
1203 1 118 PRO HB2 1 119 ALA H 4.000 . 5.000 3.527 2.072 4.361 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1204 1 118 PRO HB3 1 119 ALA H 4.000 . 5.000 3.898 3.088 4.461 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1205 1 118 PRO QD 1 119 ALA H 4.000 . 5.000 3.949 2.441 5.007 0.007 29 0 "[ . 1 . 2 . 3 . 4]" 1
1206 1 119 ALA H 1 119 ALA MB 3.000 . 3.500 2.512 1.942 2.841 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1207 1 119 ALA H 1 120 ALA H 4.000 . 5.000 3.677 1.986 4.701 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1208 1 119 ALA HA 1 120 ALA H 4.000 . 5.000 2.804 2.209 3.587 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
1209 1 119 ALA MB 1 120 ALA H 4.000 . 5.000 2.826 1.931 3.725 . 0 0 "[ . 1 . 2 . 3 . 4]" 1
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