NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
378379 |
1h3z   |
5538 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1h3z
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 1913
_Distance_constraint_stats_list.Viol_count 1107
_Distance_constraint_stats_list.Viol_total 1399.669
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0014
_Distance_constraint_stats_list.Viol_average_violations_only 0.0550
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 GLU 0.010 0.010 3 0 "[ . 1 . 2 ]"
1 4 ARG 0.010 0.010 3 0 "[ . 1 . 2 ]"
1 5 VAL 0.554 0.105 18 0 "[ . 1 . 2 ]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 TYR 0.306 0.086 17 0 "[ . 1 . 2 ]"
1 8 LYS 0.145 0.077 10 0 "[ . 1 . 2 ]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 GLY 2.664 0.331 17 0 "[ . 1 . 2 ]"
1 11 MET 0.164 0.077 10 0 "[ . 1 . 2 ]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 VAL 0.793 0.131 23 0 "[ . 1 . 2 ]"
1 14 LEU 3.442 0.187 8 0 "[ . 1 . 2 ]"
1 15 THR 3.753 0.241 13 0 "[ . 1 . 2 ]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 MET 0.984 0.086 17 0 "[ . 1 . 2 ]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 PHE 1.337 0.080 14 0 "[ . 1 . 2 ]"
1 21 PRO 0.944 0.093 21 0 "[ . 1 . 2 ]"
1 22 TRP 1.542 0.092 9 0 "[ . 1 . 2 ]"
1 23 TRP 3.181 0.151 19 0 "[ . 1 . 2 ]"
1 24 PRO 0.106 0.049 22 0 "[ . 1 . 2 ]"
1 25 SER 0.208 0.058 2 0 "[ . 1 . 2 ]"
1 26 MET 4.064 0.331 17 0 "[ . 1 . 2 ]"
1 27 VAL 0.892 0.086 17 0 "[ . 1 . 2 ]"
1 28 VAL 0.692 0.074 18 0 "[ . 1 . 2 ]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 30 GLU 0.337 0.079 15 0 "[ . 1 . 2 ]"
1 31 SER 0.082 0.030 15 0 "[ . 1 . 2 ]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 33 MET 1.189 0.227 15 0 "[ . 1 . 2 ]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 ALA 1.472 0.227 15 0 "[ . 1 . 2 ]"
1 38 ARG 0.133 0.047 3 0 "[ . 1 . 2 ]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 LYS 0.812 0.078 15 0 "[ . 1 . 2 ]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 ARG 0.612 0.202 2 0 "[ . 1 . 2 ]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 PHE 0.402 0.078 8 0 "[ . 1 . 2 ]"
1 49 TYR 1.673 0.099 2 0 "[ . 1 . 2 ]"
1 50 PRO 0.240 0.043 18 0 "[ . 1 . 2 ]"
1 51 VAL 2.495 0.073 18 0 "[ . 1 . 2 ]"
1 52 ILE 4.208 0.193 17 0 "[ . 1 . 2 ]"
1 53 PHE 0.766 0.103 12 0 "[ . 1 . 2 ]"
1 54 PHE 1.073 0.058 12 0 "[ . 1 . 2 ]"
1 55 PRO 0.272 0.036 9 0 "[ . 1 . 2 ]"
1 56 ASN 0.213 0.036 9 0 "[ . 1 . 2 ]"
1 57 LYS 0.023 0.023 1 0 "[ . 1 . 2 ]"
1 58 GLU 0.397 0.103 12 0 "[ . 1 . 2 ]"
1 59 TYR 0.654 0.096 19 0 "[ . 1 . 2 ]"
1 60 LEU 0.629 0.066 3 0 "[ . 1 . 2 ]"
1 61 TRP 3.504 0.078 8 0 "[ . 1 . 2 ]"
1 62 THR 1.390 0.101 10 0 "[ . 1 . 2 ]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 SER 0.258 0.027 12 0 "[ . 1 . 2 ]"
1 65 ASP 0.208 0.027 12 0 "[ . 1 . 2 ]"
1 66 SER 0.122 0.027 20 0 "[ . 1 . 2 ]"
1 67 LEU 5.516 0.241 13 0 "[ . 1 . 2 ]"
1 68 THR 4.990 0.187 8 0 "[ . 1 . 2 ]"
1 69 PRO 0.201 0.105 18 0 "[ . 1 . 2 ]"
1 70 LEU 0.011 0.011 17 0 "[ . 1 . 2 ]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 72 SER 0.818 0.060 20 0 "[ . 1 . 2 ]"
1 73 GLU 2.383 0.080 17 0 "[ . 1 . 2 ]"
1 74 ALA 2.763 0.080 17 0 "[ . 1 . 2 ]"
1 75 ILE 2.281 0.166 9 0 "[ . 1 . 2 ]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 77 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 78 PHE 1.750 0.102 17 0 "[ . 1 . 2 ]"
1 79 LEU 1.501 0.102 17 0 "[ . 1 . 2 ]"
1 80 GLU 1.898 0.076 19 0 "[ . 1 . 2 ]"
1 81 LYS 1.141 0.056 21 0 "[ . 1 . 2 ]"
1 82 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 THR 4.886 0.241 3 0 "[ . 1 . 2 ]"
1 87 ALA 0.362 0.052 23 0 "[ . 1 . 2 ]"
1 88 SER 1.961 0.129 12 0 "[ . 1 . 2 ]"
1 89 LEU 6.921 0.241 3 0 "[ . 1 . 2 ]"
1 90 ILE 3.247 0.151 19 0 "[ . 1 . 2 ]"
1 91 LYS 3.072 0.129 12 0 "[ . 1 . 2 ]"
1 92 ALA 0.636 0.099 23 0 "[ . 1 . 2 ]"
1 93 TYR 0.540 0.067 4 0 "[ . 1 . 2 ]"
1 94 LYS 0.631 0.074 18 0 "[ . 1 . 2 ]"
1 95 MET 1.528 0.092 10 0 "[ . 1 . 2 ]"
1 96 ALA 0.953 0.074 18 0 "[ . 1 . 2 ]"
1 97 GLN 1.635 0.166 9 0 "[ . 1 . 2 ]"
1 98 SER 0.881 0.092 10 0 "[ . 1 . 2 ]"
1 99 THR 4.291 0.238 15 0 "[ . 1 . 2 ]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 ASP 0.064 0.040 23 0 "[ . 1 . 2 ]"
1 102 LEU 0.925 0.062 10 0 "[ . 1 . 2 ]"
1 103 ASP 0.987 0.062 10 0 "[ . 1 . 2 ]"
1 104 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 105 LEU 4.362 0.238 15 0 "[ . 1 . 2 ]"
1 106 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 107 VAL 0.817 0.092 23 0 "[ . 1 . 2 ]"
1 108 PRO 0.268 0.076 5 0 "[ . 1 . 2 ]"
1 109 SER 0.268 0.076 5 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU QB 3.000 . 3.500 2.459 1.928 3.015 . 0 0 "[ . 1 . 2 ]" 1
2 1 3 GLU H 1 3 GLU QG 4.000 . 4.750 3.217 1.881 4.189 . 0 0 "[ . 1 . 2 ]" 1
3 1 4 ARG H 1 4 ARG QB 3.000 . 3.500 2.513 1.948 3.138 . 0 0 "[ . 1 . 2 ]" 1
4 1 4 ARG H 1 4 ARG QG 4.000 . 4.750 3.244 1.884 4.203 . 0 0 "[ . 1 . 2 ]" 1
5 1 4 ARG H 1 4 ARG QD 5.000 . 6.000 4.115 2.398 5.038 . 0 0 "[ . 1 . 2 ]" 1
6 1 4 ARG QB 1 4 ARG QD 3.000 . 3.500 2.094 1.966 2.390 . 0 0 "[ . 1 . 2 ]" 1
7 1 5 VAL H 1 5 VAL HA 3.000 . 3.500 2.988 2.932 3.005 . 0 0 "[ . 1 . 2 ]" 1
8 1 5 VAL H 1 5 VAL HB 2.500 . 2.800 2.626 2.144 2.862 0.062 1 0 "[ . 1 . 2 ]" 1
9 1 5 VAL H 1 5 VAL MG2 4.000 . 4.750 2.395 1.826 3.516 . 0 0 "[ . 1 . 2 ]" 1
10 1 5 VAL HA 1 5 VAL HB 3.000 . 3.500 2.993 2.916 3.029 . 0 0 "[ . 1 . 2 ]" 1
11 1 6 ASN H 1 6 ASN QB 3.000 . 3.500 2.124 1.987 2.232 . 0 0 "[ . 1 . 2 ]" 1
12 1 6 ASN H 1 6 ASN QD 5.000 . 6.000 4.295 3.109 4.759 . 0 0 "[ . 1 . 2 ]" 1
13 1 6 ASN QB 1 6 ASN QD 2.500 . 2.800 2.211 2.181 2.292 . 0 0 "[ . 1 . 2 ]" 1
14 1 7 TYR H 1 7 TYR HB3 4.000 . 4.750 3.531 3.480 3.592 . 0 0 "[ . 1 . 2 ]" 1
15 1 7 TYR H 1 7 TYR HB2 3.000 . 3.500 2.296 2.229 2.436 . 0 0 "[ . 1 . 2 ]" 1
16 1 7 TYR H 1 7 TYR QD 3.000 . 3.500 2.771 2.649 3.031 . 0 0 "[ . 1 . 2 ]" 1
17 1 7 TYR H 1 7 TYR QE 5.000 . 6.000 4.462 4.156 4.778 . 0 0 "[ . 1 . 2 ]" 1
18 1 7 TYR HA 1 7 TYR HB2 3.000 . 3.500 3.029 3.026 3.032 . 0 0 "[ . 1 . 2 ]" 1
19 1 7 TYR HA 1 7 TYR QD 3.000 . 3.500 2.314 2.151 2.452 . 0 0 "[ . 1 . 2 ]" 1
20 1 7 TYR HA 1 7 TYR QE 5.000 . 6.000 4.343 4.271 4.459 . 0 0 "[ . 1 . 2 ]" 1
21 1 7 TYR HB3 1 7 TYR QD 3.000 . 3.500 2.624 2.560 2.692 . 0 0 "[ . 1 . 2 ]" 1
22 1 7 TYR HB2 1 7 TYR QD 3.000 . 3.500 2.303 2.286 2.321 . 0 0 "[ . 1 . 2 ]" 1
23 1 8 LYS H 1 8 LYS QB 3.000 . 3.500 2.420 2.125 2.660 . 0 0 "[ . 1 . 2 ]" 1
24 1 8 LYS H 1 8 LYS QG 3.000 . 3.500 2.679 2.156 3.041 . 0 0 "[ . 1 . 2 ]" 1
25 1 8 LYS H 1 8 LYS QD 5.000 . 6.000 4.117 3.390 4.578 . 0 0 "[ . 1 . 2 ]" 1
26 1 8 LYS HA 1 8 LYS QD 4.000 . 4.750 3.651 2.006 4.268 . 0 0 "[ . 1 . 2 ]" 1
27 1 8 LYS QB 1 8 LYS QD 3.000 . 3.500 2.108 1.938 2.300 . 0 0 "[ . 1 . 2 ]" 1
28 1 8 LYS QB 1 8 LYS QE 4.000 . 4.750 3.132 2.177 3.670 . 0 0 "[ . 1 . 2 ]" 1
29 1 8 LYS QE 1 8 LYS QG 3.000 . 3.500 2.126 1.963 2.440 . 0 0 "[ . 1 . 2 ]" 1
30 1 10 GLY H 1 10 GLY HA2 3.000 . 3.500 2.982 2.973 2.987 . 0 0 "[ . 1 . 2 ]" 1
31 1 11 MET H 1 11 MET HB3 4.000 . 4.750 3.396 3.342 3.455 . 0 0 "[ . 1 . 2 ]" 1
32 1 11 MET H 1 11 MET HB2 3.000 . 3.500 2.071 2.030 2.126 . 0 0 "[ . 1 . 2 ]" 1
33 1 11 MET H 1 11 MET ME 5.000 . 6.000 4.542 4.436 4.651 . 0 0 "[ . 1 . 2 ]" 1
34 1 11 MET H 1 11 MET QG 3.000 . 3.500 3.090 2.950 3.171 . 0 0 "[ . 1 . 2 ]" 1
35 1 11 MET HA 1 11 MET ME 5.000 . 6.000 3.659 3.507 3.801 . 0 0 "[ . 1 . 2 ]" 1
36 1 11 MET HB3 1 11 MET ME 3.000 . 3.500 1.844 1.790 1.982 0.010 22 0 "[ . 1 . 2 ]" 1
37 1 11 MET HB2 1 11 MET ME 3.000 . 3.500 2.864 2.701 2.929 . 0 0 "[ . 1 . 2 ]" 1
38 1 13 VAL H 1 13 VAL HB 4.000 . 4.750 3.777 3.747 3.817 . 0 0 "[ . 1 . 2 ]" 1
39 1 13 VAL H 1 13 VAL MG2 4.000 . 4.750 1.997 1.854 2.215 . 0 0 "[ . 1 . 2 ]" 1
40 1 14 LEU H 1 14 LEU HG 4.000 . 4.750 3.714 3.628 3.820 . 0 0 "[ . 1 . 2 ]" 1
41 1 14 LEU H 1 14 LEU MD1 5.000 . 6.000 4.252 4.194 4.304 . 0 0 "[ . 1 . 2 ]" 1
42 1 14 LEU H 1 14 LEU MD2 5.000 . 6.000 4.054 4.036 4.089 . 0 0 "[ . 1 . 2 ]" 1
43 1 14 LEU HA 1 14 LEU HG 4.000 . 4.750 2.671 2.599 2.728 . 0 0 "[ . 1 . 2 ]" 1
44 1 14 LEU HA 1 14 LEU MD2 4.000 . 4.750 1.880 1.854 1.943 . 0 0 "[ . 1 . 2 ]" 1
45 1 14 LEU QB 1 14 LEU MD1 3.000 . 3.500 2.051 2.012 2.108 . 0 0 "[ . 1 . 2 ]" 1
46 1 15 THR H 1 15 THR HB 4.000 . 4.750 3.472 2.900 3.658 . 0 0 "[ . 1 . 2 ]" 1
47 1 15 THR H 1 15 THR HG1 4.000 . 4.750 2.352 1.857 3.074 . 0 0 "[ . 1 . 2 ]" 1
48 1 16 LYS H 1 16 LYS QB 3.000 . 3.500 2.226 1.997 2.619 . 0 0 "[ . 1 . 2 ]" 1
49 1 16 LYS H 1 16 LYS QG 4.000 . 4.750 3.117 1.838 3.844 . 0 0 "[ . 1 . 2 ]" 1
50 1 16 LYS HA 1 16 LYS QD 4.000 . 4.750 3.949 3.477 4.333 . 0 0 "[ . 1 . 2 ]" 1
51 1 16 LYS QB 1 16 LYS QD 3.000 . 3.500 2.021 1.881 2.138 . 0 0 "[ . 1 . 2 ]" 1
52 1 16 LYS QB 1 16 LYS QE 3.000 . 3.500 2.688 2.382 2.825 . 0 0 "[ . 1 . 2 ]" 1
53 1 17 MET H 1 17 MET HB3 4.000 . 4.750 3.139 3.068 3.196 . 0 0 "[ . 1 . 2 ]" 1
54 1 17 MET H 1 17 MET HB2 4.000 . 4.750 2.541 2.421 2.648 . 0 0 "[ . 1 . 2 ]" 1
55 1 17 MET H 1 17 MET ME 5.000 . 6.000 4.135 2.781 4.841 . 0 0 "[ . 1 . 2 ]" 1
56 1 17 MET HA 1 17 MET ME 5.000 . 6.000 4.011 2.751 4.435 . 0 0 "[ . 1 . 2 ]" 1
57 1 17 MET HB3 1 17 MET ME 4.000 . 4.750 2.620 1.989 3.200 . 0 0 "[ . 1 . 2 ]" 1
58 1 17 MET HB2 1 17 MET ME 3.000 . 3.500 2.110 1.807 2.705 . 0 0 "[ . 1 . 2 ]" 1
59 1 17 MET HB2 1 17 MET QG 2.500 . 2.800 2.317 2.190 2.512 . 0 0 "[ . 1 . 2 ]" 1
60 1 18 SER H 1 18 SER QB 3.000 . 3.500 2.151 1.928 2.820 . 0 0 "[ . 1 . 2 ]" 1
61 1 19 GLY H 1 19 GLY HA3 3.000 . 3.500 2.349 2.346 2.353 . 0 0 "[ . 1 . 2 ]" 1
62 1 19 GLY H 1 19 GLY HA2 3.000 . 3.500 2.872 2.867 2.877 . 0 0 "[ . 1 . 2 ]" 1
63 1 20 PHE H 1 20 PHE HB3 4.000 . 4.750 3.456 3.332 3.587 . 0 0 "[ . 1 . 2 ]" 1
64 1 20 PHE H 1 20 PHE HB2 3.000 . 3.500 2.349 2.283 2.413 . 0 0 "[ . 1 . 2 ]" 1
65 1 20 PHE H 1 20 PHE QD 4.000 . 4.750 3.905 3.492 4.118 . 0 0 "[ . 1 . 2 ]" 1
66 1 20 PHE HA 1 20 PHE QD 4.000 . 4.750 1.912 1.720 2.466 0.080 14 0 "[ . 1 . 2 ]" 1
67 1 20 PHE HA 1 20 PHE QE 4.000 . 4.750 4.059 4.011 4.203 . 0 0 "[ . 1 . 2 ]" 1
68 1 20 PHE HB3 1 20 PHE QD 3.000 . 3.500 2.674 2.279 2.788 . 0 0 "[ . 1 . 2 ]" 1
69 1 20 PHE HB2 1 20 PHE QD 3.000 . 3.500 2.437 2.336 2.723 . 0 0 "[ . 1 . 2 ]" 1
70 1 22 TRP H 1 22 TRP HA 3.000 . 3.500 2.800 2.793 2.807 . 0 0 "[ . 1 . 2 ]" 1
71 1 22 TRP H 1 22 TRP HB3 4.000 . 4.750 3.543 3.531 3.557 . 0 0 "[ . 1 . 2 ]" 1
72 1 22 TRP H 1 22 TRP HB2 4.000 . 4.750 2.405 2.325 2.459 . 0 0 "[ . 1 . 2 ]" 1
73 1 22 TRP H 1 22 TRP HD1 3.000 . 3.500 1.960 1.827 2.166 . 0 0 "[ . 1 . 2 ]" 1
74 1 22 TRP H 1 22 TRP HE1 5.000 . 6.000 4.185 4.078 4.366 . 0 0 "[ . 1 . 2 ]" 1
75 1 22 TRP HA 1 22 TRP HD1 5.000 . 6.000 3.926 3.728 4.090 . 0 0 "[ . 1 . 2 ]" 1
76 1 22 TRP HA 1 22 TRP HE3 4.000 . 4.750 3.385 3.105 3.643 . 0 0 "[ . 1 . 2 ]" 1
77 1 22 TRP HB3 1 22 TRP HE3 3.000 . 3.500 2.584 2.517 2.662 . 0 0 "[ . 1 . 2 ]" 1
78 1 22 TRP HB2 1 22 TRP HE1 5.000 . 6.000 4.791 4.768 4.820 . 0 0 "[ . 1 . 2 ]" 1
79 1 22 TRP HB2 1 22 TRP HE3 4.000 . 4.750 4.115 4.049 4.173 . 0 0 "[ . 1 . 2 ]" 1
80 1 25 SER H 1 25 SER HG 4.000 . 4.750 2.911 1.899 3.985 . 0 0 "[ . 1 . 2 ]" 1
81 1 26 MET H 1 26 MET HB3 2.500 . 2.800 2.577 2.257 2.734 . 0 0 "[ . 1 . 2 ]" 1
82 1 26 MET H 1 26 MET HB2 3.000 . 3.500 2.700 2.525 3.108 . 0 0 "[ . 1 . 2 ]" 1
83 1 26 MET H 1 26 MET ME 5.000 . 6.000 4.049 3.749 4.290 . 0 0 "[ . 1 . 2 ]" 1
84 1 26 MET H 1 26 MET QG 4.000 . 4.750 4.012 3.838 4.083 . 0 0 "[ . 1 . 2 ]" 1
85 1 26 MET HA 1 26 MET ME 5.000 . 6.000 3.794 3.066 4.051 . 0 0 "[ . 1 . 2 ]" 1
86 1 26 MET HB3 1 26 MET ME 4.000 . 4.750 2.677 2.099 3.137 . 0 0 "[ . 1 . 2 ]" 1
87 1 26 MET HB3 1 26 MET QG 2.500 . 2.800 2.232 2.156 2.417 . 0 0 "[ . 1 . 2 ]" 1
88 1 26 MET HB2 1 26 MET ME 3.000 . 3.500 1.908 1.786 2.149 0.014 21 0 "[ . 1 . 2 ]" 1
89 1 26 MET HB2 1 26 MET QG 2.500 . 2.800 2.477 2.312 2.544 . 0 0 "[ . 1 . 2 ]" 1
90 1 26 MET ME 1 26 MET QG 3.000 . 3.500 2.334 2.201 2.571 . 0 0 "[ . 1 . 2 ]" 1
91 1 27 VAL H 1 27 VAL HA 3.000 . 3.500 2.909 2.895 2.919 . 0 0 "[ . 1 . 2 ]" 1
92 1 27 VAL H 1 27 VAL HB 3.000 . 3.500 2.386 2.318 2.510 . 0 0 "[ . 1 . 2 ]" 1
93 1 27 VAL H 1 27 VAL MG2 4.000 . 4.750 2.262 2.106 2.373 . 0 0 "[ . 1 . 2 ]" 1
94 1 28 VAL H 1 28 VAL HB 4.000 . 4.750 3.704 3.655 3.768 . 0 0 "[ . 1 . 2 ]" 1
95 1 28 VAL H 1 28 VAL MG2 4.000 . 4.750 2.100 1.973 2.271 . 0 0 "[ . 1 . 2 ]" 1
96 1 28 VAL HA 1 28 VAL HB 3.000 . 3.500 2.422 2.362 2.447 . 0 0 "[ . 1 . 2 ]" 1
97 1 29 THR HA 1 29 THR HB 3.000 . 3.500 2.413 2.384 2.472 . 0 0 "[ . 1 . 2 ]" 1
98 1 30 GLU H 1 30 GLU QB 3.000 . 3.500 2.073 1.928 2.231 . 0 0 "[ . 1 . 2 ]" 1
99 1 30 GLU H 1 30 GLU QG 4.000 . 4.750 3.521 2.187 3.945 . 0 0 "[ . 1 . 2 ]" 1
100 1 30 GLU HA 1 30 GLU QB 2.500 . 2.800 2.457 2.325 2.546 . 0 0 "[ . 1 . 2 ]" 1
101 1 30 GLU HA 1 30 GLU QG 3.000 . 3.500 2.274 2.052 2.508 . 0 0 "[ . 1 . 2 ]" 1
102 1 31 SER H 1 31 SER HA 3.000 . 3.500 2.887 2.845 2.942 . 0 0 "[ . 1 . 2 ]" 1
103 1 31 SER H 1 31 SER QB 3.000 . 3.500 2.122 1.938 2.672 . 0 0 "[ . 1 . 2 ]" 1
104 1 32 LYS H 1 32 LYS QB 3.000 . 3.500 2.289 2.080 2.575 . 0 0 "[ . 1 . 2 ]" 1
105 1 32 LYS H 1 32 LYS QG 3.000 . 3.500 2.625 2.035 3.161 . 0 0 "[ . 1 . 2 ]" 1
106 1 32 LYS HA 1 32 LYS QG 3.000 . 3.500 2.634 2.082 3.057 . 0 0 "[ . 1 . 2 ]" 1
107 1 32 LYS QB 1 32 LYS QE 4.000 . 4.750 3.470 2.298 3.761 . 0 0 "[ . 1 . 2 ]" 1
108 1 33 MET H 1 33 MET ME 5.000 . 6.000 4.569 4.029 5.083 . 0 0 "[ . 1 . 2 ]" 1
109 1 33 MET H 1 33 MET QG 4.000 . 4.750 2.466 1.947 3.840 . 0 0 "[ . 1 . 2 ]" 1
110 1 33 MET HA 1 33 MET ME 5.000 . 6.000 4.112 3.929 4.415 . 0 0 "[ . 1 . 2 ]" 1
111 1 33 MET QB 1 33 MET ME 4.000 . 4.750 2.346 1.764 3.169 0.036 16 0 "[ . 1 . 2 ]" 1
112 1 34 THR H 1 34 THR HB 4.000 . 4.750 2.676 2.368 3.575 . 0 0 "[ . 1 . 2 ]" 1
113 1 35 SER H 1 35 SER QB 3.000 . 3.500 2.388 1.934 2.878 . 0 0 "[ . 1 . 2 ]" 1
114 1 36 VAL H 1 36 VAL HA 3.000 . 3.500 2.840 2.794 2.880 . 0 0 "[ . 1 . 2 ]" 1
115 1 36 VAL H 1 36 VAL HB 3.000 . 3.500 2.162 2.017 2.294 . 0 0 "[ . 1 . 2 ]" 1
116 1 36 VAL H 1 36 VAL MG1 4.000 . 4.750 3.635 3.543 3.688 . 0 0 "[ . 1 . 2 ]" 1
117 1 36 VAL H 1 36 VAL MG2 4.000 . 4.750 2.494 2.218 2.754 . 0 0 "[ . 1 . 2 ]" 1
118 1 36 VAL HA 1 36 VAL HB 3.000 . 3.500 3.011 2.987 3.033 . 0 0 "[ . 1 . 2 ]" 1
119 1 36 VAL HA 1 36 VAL MG2 3.000 . 3.500 2.128 2.015 2.291 . 0 0 "[ . 1 . 2 ]" 1
120 1 38 ARG H 1 38 ARG QB 3.000 . 3.500 2.006 1.921 2.168 . 0 0 "[ . 1 . 2 ]" 1
121 1 38 ARG H 1 38 ARG QG 4.000 . 4.750 3.564 2.609 3.923 . 0 0 "[ . 1 . 2 ]" 1
122 1 38 ARG HA 1 38 ARG QG 3.000 . 3.500 2.057 1.915 2.219 . 0 0 "[ . 1 . 2 ]" 1
123 1 38 ARG HA 1 38 ARG QD 4.000 . 4.750 3.599 3.087 4.013 . 0 0 "[ . 1 . 2 ]" 1
124 1 38 ARG QB 1 38 ARG HE 4.000 . 4.750 3.302 1.890 4.088 . 0 0 "[ . 1 . 2 ]" 1
125 1 38 ARG QB 1 38 ARG QD 3.000 . 3.500 2.060 1.900 2.448 . 0 0 "[ . 1 . 2 ]" 1
126 1 39 LYS H 1 39 LYS QB 3.000 . 3.500 2.046 1.920 2.159 . 0 0 "[ . 1 . 2 ]" 1
127 1 39 LYS H 1 39 LYS QG 4.000 . 4.750 3.417 2.573 3.935 . 0 0 "[ . 1 . 2 ]" 1
128 1 39 LYS H 1 39 LYS QD 5.000 . 6.000 4.107 2.387 4.579 . 0 0 "[ . 1 . 2 ]" 1
129 1 39 LYS HA 1 39 LYS QD 4.000 . 4.750 2.856 1.854 4.248 . 0 0 "[ . 1 . 2 ]" 1
130 1 39 LYS QB 1 39 LYS QD 3.000 . 3.500 2.121 1.888 2.524 . 0 0 "[ . 1 . 2 ]" 1
131 1 39 LYS QB 1 39 LYS QE 4.000 . 4.750 3.294 2.143 3.697 . 0 0 "[ . 1 . 2 ]" 1
132 1 39 LYS QE 1 39 LYS QG 3.000 . 3.500 2.081 1.908 2.616 . 0 0 "[ . 1 . 2 ]" 1
133 1 40 SER H 1 40 SER HA 3.000 . 3.500 2.968 2.931 2.978 . 0 0 "[ . 1 . 2 ]" 1
134 1 41 LYS H 1 41 LYS HB3 3.000 . 3.500 2.698 2.434 3.065 . 0 0 "[ . 1 . 2 ]" 1
135 1 41 LYS H 1 41 LYS HB2 4.000 . 4.750 2.218 1.973 2.454 . 0 0 "[ . 1 . 2 ]" 1
136 1 41 LYS H 1 41 LYS HG3 5.000 . 6.000 4.207 3.781 4.453 . 0 0 "[ . 1 . 2 ]" 1
137 1 41 LYS H 1 41 LYS HG2 5.000 . 6.000 4.451 4.206 4.561 . 0 0 "[ . 1 . 2 ]" 1
138 1 41 LYS HA 1 41 LYS HB3 3.000 . 3.500 3.016 2.952 3.036 . 0 0 "[ . 1 . 2 ]" 1
139 1 41 LYS HA 1 41 LYS HB2 3.000 . 3.500 2.571 2.449 2.749 . 0 0 "[ . 1 . 2 ]" 1
140 1 41 LYS HA 1 41 LYS HG3 4.000 . 4.750 2.484 2.048 3.103 . 0 0 "[ . 1 . 2 ]" 1
141 1 41 LYS HA 1 41 LYS HG2 3.000 . 3.500 2.820 2.125 3.060 . 0 0 "[ . 1 . 2 ]" 1
142 1 41 LYS HA 1 41 LYS QD 4.000 . 4.750 3.918 3.653 4.092 . 0 0 "[ . 1 . 2 ]" 1
143 1 41 LYS HB3 1 41 LYS HG2 3.000 . 3.500 2.509 2.315 2.851 . 0 0 "[ . 1 . 2 ]" 1
144 1 41 LYS HB3 1 41 LYS QD 3.000 . 3.500 2.315 1.915 2.668 . 0 0 "[ . 1 . 2 ]" 1
145 1 41 LYS HB3 1 41 LYS QE 4.000 . 4.750 3.869 3.547 4.245 . 0 0 "[ . 1 . 2 ]" 1
146 1 41 LYS HB2 1 41 LYS HG2 3.000 . 3.500 3.011 2.869 3.037 . 0 0 "[ . 1 . 2 ]" 1
147 1 41 LYS HB2 1 41 LYS QD 3.000 . 3.500 2.497 2.132 3.111 . 0 0 "[ . 1 . 2 ]" 1
148 1 41 LYS QE 1 41 LYS HG2 3.000 . 3.500 2.411 1.965 3.161 . 0 0 "[ . 1 . 2 ]" 1
149 1 43 LYS H 1 43 LYS HA 3.000 . 3.500 2.997 2.969 3.003 . 0 0 "[ . 1 . 2 ]" 1
150 1 43 LYS H 1 43 LYS QB 3.000 . 3.500 2.546 2.238 2.959 . 0 0 "[ . 1 . 2 ]" 1
151 1 43 LYS H 1 43 LYS QG 3.000 . 3.500 2.489 1.903 3.125 . 0 0 "[ . 1 . 2 ]" 1
152 1 43 LYS HA 1 43 LYS QD 4.000 . 4.750 3.675 2.237 4.254 . 0 0 "[ . 1 . 2 ]" 1
153 1 43 LYS QB 1 43 LYS QD 3.000 . 3.500 2.049 1.881 2.392 . 0 0 "[ . 1 . 2 ]" 1
154 1 43 LYS QE 1 43 LYS QG 3.000 . 3.500 2.089 1.911 2.325 . 0 0 "[ . 1 . 2 ]" 1
155 1 44 ARG H 1 44 ARG QB 3.000 . 3.500 2.614 2.007 3.049 . 0 0 "[ . 1 . 2 ]" 1
156 1 44 ARG H 1 44 ARG QG 3.000 . 3.500 2.178 1.598 3.174 0.202 2 0 "[ . 1 . 2 ]" 1
157 1 44 ARG H 1 44 ARG QD 5.000 . 6.000 3.586 1.753 4.474 0.047 20 0 "[ . 1 . 2 ]" 1
158 1 44 ARG QB 1 44 ARG QD 3.000 . 3.500 2.169 1.958 2.433 . 0 0 "[ . 1 . 2 ]" 1
159 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.881 2.816 2.992 . 0 0 "[ . 1 . 2 ]" 1
160 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.093 1.923 2.213 . 0 0 "[ . 1 . 2 ]" 1
161 1 47 THR H 1 47 THR HA 3.000 . 3.500 2.932 2.917 2.957 . 0 0 "[ . 1 . 2 ]" 1
162 1 47 THR H 1 47 THR HB 3.000 . 3.500 2.481 2.160 2.819 . 0 0 "[ . 1 . 2 ]" 1
163 1 47 THR H 1 47 THR MG 4.000 . 4.750 3.696 3.629 3.742 . 0 0 "[ . 1 . 2 ]" 1
164 1 47 THR HA 1 47 THR HB 3.000 . 3.500 3.026 2.988 3.042 . 0 0 "[ . 1 . 2 ]" 1
165 1 47 THR HA 1 47 THR MG 3.000 . 3.500 2.307 2.056 2.516 . 0 0 "[ . 1 . 2 ]" 1
166 1 48 PHE H 1 48 PHE HB3 4.000 . 4.750 3.542 3.497 3.650 . 0 0 "[ . 1 . 2 ]" 1
167 1 48 PHE H 1 48 PHE HB2 4.000 . 4.750 2.254 2.195 2.412 . 0 0 "[ . 1 . 2 ]" 1
168 1 48 PHE H 1 48 PHE QD 3.000 . 3.500 2.094 1.864 2.882 . 0 0 "[ . 1 . 2 ]" 1
169 1 48 PHE H 1 48 PHE QE 5.000 . 6.000 4.393 4.160 5.045 . 0 0 "[ . 1 . 2 ]" 1
170 1 48 PHE HA 1 48 PHE QD 4.000 . 4.750 3.033 2.882 3.079 . 0 0 "[ . 1 . 2 ]" 1
171 1 48 PHE HA 1 48 PHE QE 5.000 . 6.000 4.550 4.479 4.601 . 0 0 "[ . 1 . 2 ]" 1
172 1 48 PHE HB3 1 48 PHE QD 3.000 . 3.500 2.332 2.288 2.396 . 0 0 "[ . 1 . 2 ]" 1
173 1 48 PHE HB2 1 48 PHE QD 3.000 . 3.500 2.517 2.435 2.601 . 0 0 "[ . 1 . 2 ]" 1
174 1 49 TYR H 1 49 TYR HB3 3.000 . 3.500 3.563 3.529 3.599 0.099 2 0 "[ . 1 . 2 ]" 1
175 1 49 TYR H 1 49 TYR HB2 4.000 . 4.750 2.318 2.219 2.478 . 0 0 "[ . 1 . 2 ]" 1
176 1 49 TYR H 1 49 TYR QD 3.000 . 3.500 2.836 2.120 3.113 . 0 0 "[ . 1 . 2 ]" 1
177 1 49 TYR HA 1 49 TYR QD 4.000 . 4.750 2.105 1.860 3.027 . 0 0 "[ . 1 . 2 ]" 1
178 1 49 TYR HB3 1 49 TYR QD 3.000 . 3.500 2.626 2.362 2.739 . 0 0 "[ . 1 . 2 ]" 1
179 1 49 TYR HB2 1 49 TYR QD 3.000 . 3.500 2.556 2.401 2.647 . 0 0 "[ . 1 . 2 ]" 1
180 1 51 VAL H 1 51 VAL HB 4.000 . 4.750 3.756 3.714 3.791 . 0 0 "[ . 1 . 2 ]" 1
181 1 51 VAL H 1 51 VAL MG1 4.000 . 4.750 2.371 2.109 2.444 . 0 0 "[ . 1 . 2 ]" 1
182 1 51 VAL H 1 51 VAL MG2 4.000 . 4.750 2.229 2.107 2.474 . 0 0 "[ . 1 . 2 ]" 1
183 1 52 ILE H 1 52 ILE HB 4.000 . 4.750 2.980 2.904 3.030 . 0 0 "[ . 1 . 2 ]" 1
184 1 52 ILE H 1 52 ILE MG 4.000 . 4.750 1.804 1.770 1.871 0.030 23 0 "[ . 1 . 2 ]" 1
185 1 52 ILE H 1 52 ILE MD 4.000 . 4.750 3.632 3.534 3.808 . 0 0 "[ . 1 . 2 ]" 1
186 1 52 ILE H 1 52 ILE QG 4.000 . 4.750 4.117 4.095 4.149 . 0 0 "[ . 1 . 2 ]" 1
187 1 52 ILE HA 1 52 ILE MD 4.000 . 4.750 3.300 3.157 3.468 . 0 0 "[ . 1 . 2 ]" 1
188 1 52 ILE MD 1 52 ILE MG 3.000 . 3.500 1.659 1.607 1.764 0.193 17 0 "[ . 1 . 2 ]" 1
189 1 52 ILE QG 1 52 ILE MG 3.000 . 3.500 2.419 2.389 2.524 . 0 0 "[ . 1 . 2 ]" 1
190 1 53 PHE H 1 53 PHE QB 3.000 . 3.500 2.005 1.982 2.029 . 0 0 "[ . 1 . 2 ]" 1
191 1 53 PHE H 1 53 PHE QD 4.000 . 4.750 2.872 2.798 2.951 . 0 0 "[ . 1 . 2 ]" 1
192 1 53 PHE HA 1 53 PHE QD 4.000 . 4.750 2.779 2.703 2.883 . 0 0 "[ . 1 . 2 ]" 1
193 1 54 PHE H 1 54 PHE HB3 4.000 . 4.750 3.554 3.535 3.584 . 0 0 "[ . 1 . 2 ]" 1
194 1 54 PHE H 1 54 PHE HB2 3.000 . 3.500 2.251 2.218 2.309 . 0 0 "[ . 1 . 2 ]" 1
195 1 54 PHE H 1 54 PHE QD 4.000 . 4.750 2.975 2.662 3.347 . 0 0 "[ . 1 . 2 ]" 1
196 1 54 PHE HA 1 54 PHE QD 3.000 . 3.500 2.451 2.016 2.683 . 0 0 "[ . 1 . 2 ]" 1
197 1 54 PHE HA 1 54 PHE QE 5.000 . 6.000 4.390 4.198 4.518 . 0 0 "[ . 1 . 2 ]" 1
198 1 54 PHE HB3 1 54 PHE QD 3.000 . 3.500 2.592 2.512 2.721 . 0 0 "[ . 1 . 2 ]" 1
199 1 54 PHE HB2 1 54 PHE QD 3.000 . 3.500 2.321 2.301 2.353 . 0 0 "[ . 1 . 2 ]" 1
200 1 56 ASN H 1 56 ASN HB3 4.000 . 4.750 3.960 3.448 4.079 . 0 0 "[ . 1 . 2 ]" 1
201 1 56 ASN H 1 56 ASN HB2 4.000 . 4.750 3.157 2.086 3.670 . 0 0 "[ . 1 . 2 ]" 1
202 1 56 ASN H 1 56 ASN QD 5.000 . 6.000 3.771 1.910 4.957 . 0 0 "[ . 1 . 2 ]" 1
203 1 56 ASN HA 1 56 ASN HB3 3.000 . 3.500 2.587 2.393 2.780 . 0 0 "[ . 1 . 2 ]" 1
204 1 56 ASN HA 1 56 ASN HB2 3.000 . 3.500 2.999 2.924 3.037 . 0 0 "[ . 1 . 2 ]" 1
205 1 56 ASN HA 1 56 ASN QD 4.000 . 4.750 3.437 1.882 4.076 . 0 0 "[ . 1 . 2 ]" 1
206 1 56 ASN HB3 1 56 ASN QD 3.000 . 3.500 2.796 2.257 3.172 . 0 0 "[ . 1 . 2 ]" 1
207 1 56 ASN HB2 1 56 ASN QD 3.000 . 3.500 2.689 2.215 3.273 . 0 0 "[ . 1 . 2 ]" 1
208 1 57 LYS H 1 57 LYS HA 3.000 . 3.500 2.378 2.360 2.394 . 0 0 "[ . 1 . 2 ]" 1
209 1 57 LYS H 1 57 LYS QB 3.000 . 3.500 2.673 2.566 2.836 . 0 0 "[ . 1 . 2 ]" 1
210 1 57 LYS H 1 57 LYS QG 4.000 . 4.750 3.857 3.402 4.297 . 0 0 "[ . 1 . 2 ]" 1
211 1 57 LYS H 1 57 LYS QD 4.000 . 4.750 3.760 2.771 4.281 . 0 0 "[ . 1 . 2 ]" 1
212 1 57 LYS HA 1 57 LYS QD 4.000 . 4.750 3.660 2.669 4.265 . 0 0 "[ . 1 . 2 ]" 1
213 1 57 LYS QB 1 57 LYS QD 3.000 . 3.500 2.096 1.860 2.432 . 0 0 "[ . 1 . 2 ]" 1
214 1 57 LYS QB 1 57 LYS QE 4.000 . 4.750 2.570 1.986 3.453 . 0 0 "[ . 1 . 2 ]" 1
215 1 58 GLU H 1 58 GLU HA 3.000 . 3.500 2.882 2.812 2.986 . 0 0 "[ . 1 . 2 ]" 1
216 1 58 GLU H 1 58 GLU QB 3.000 . 3.500 2.014 1.929 2.257 . 0 0 "[ . 1 . 2 ]" 1
217 1 58 GLU H 1 58 GLU QG 4.000 . 4.750 3.143 2.398 3.921 . 0 0 "[ . 1 . 2 ]" 1
218 1 59 TYR H 1 59 TYR HB3 4.000 . 4.750 3.810 3.726 3.866 . 0 0 "[ . 1 . 2 ]" 1
219 1 59 TYR H 1 59 TYR HB2 3.000 . 3.500 2.666 2.515 2.771 . 0 0 "[ . 1 . 2 ]" 1
220 1 59 TYR H 1 59 TYR QD 3.000 . 3.500 3.050 2.814 3.147 . 0 0 "[ . 1 . 2 ]" 1
221 1 59 TYR H 1 59 TYR QE 5.000 . 6.000 4.889 4.762 4.994 . 0 0 "[ . 1 . 2 ]" 1
222 1 59 TYR HA 1 59 TYR HB3 3.000 . 3.500 2.484 2.441 2.531 . 0 0 "[ . 1 . 2 ]" 1
223 1 59 TYR HA 1 59 TYR QD 3.000 . 3.500 2.645 2.435 2.977 . 0 0 "[ . 1 . 2 ]" 1
224 1 59 TYR HA 1 59 TYR QE 5.000 . 6.000 4.505 4.395 4.589 . 0 0 "[ . 1 . 2 ]" 1
225 1 59 TYR HB3 1 59 TYR QD 3.000 . 3.500 2.511 2.384 2.590 . 0 0 "[ . 1 . 2 ]" 1
226 1 59 TYR HB2 1 59 TYR QD 3.000 . 3.500 2.350 2.302 2.459 . 0 0 "[ . 1 . 2 ]" 1
227 1 60 LEU H 1 60 LEU HB3 4.000 . 4.750 2.543 2.464 2.627 . 0 0 "[ . 1 . 2 ]" 1
228 1 60 LEU H 1 60 LEU HB2 4.000 . 4.750 3.152 3.072 3.263 . 0 0 "[ . 1 . 2 ]" 1
229 1 60 LEU H 1 60 LEU HG 4.000 . 4.750 4.332 4.309 4.357 . 0 0 "[ . 1 . 2 ]" 1
230 1 60 LEU H 1 60 LEU MD1 5.000 . 6.000 4.556 4.486 4.610 . 0 0 "[ . 1 . 2 ]" 1
231 1 60 LEU H 1 60 LEU MD2 5.000 . 6.000 4.120 4.023 4.169 . 0 0 "[ . 1 . 2 ]" 1
232 1 60 LEU HA 1 60 LEU HB2 3.000 . 3.500 2.437 2.422 2.459 . 0 0 "[ . 1 . 2 ]" 1
233 1 60 LEU HA 1 60 LEU HG 4.000 . 4.750 2.610 2.555 2.648 . 0 0 "[ . 1 . 2 ]" 1
234 1 60 LEU HA 1 60 LEU MD1 4.000 . 4.750 2.724 2.561 2.858 . 0 0 "[ . 1 . 2 ]" 1
235 1 60 LEU HB3 1 60 LEU HG 2.500 . 2.800 2.773 2.741 2.800 . 0 0 "[ . 1 . 2 ]" 1
236 1 60 LEU HB3 1 60 LEU MD2 3.000 . 3.500 2.098 2.044 2.140 . 0 0 "[ . 1 . 2 ]" 1
237 1 60 LEU HB2 1 60 LEU MD1 3.000 . 3.500 2.099 1.934 2.169 . 0 0 "[ . 1 . 2 ]" 1
238 1 60 LEU HB2 1 60 LEU MD2 3.000 . 3.500 2.825 2.785 2.858 . 0 0 "[ . 1 . 2 ]" 1
239 1 61 TRP H 1 61 TRP HB3 3.000 . 3.500 3.551 3.536 3.562 0.062 1 0 "[ . 1 . 2 ]" 1
240 1 61 TRP H 1 61 TRP HB2 3.000 . 3.500 2.253 2.227 2.270 . 0 0 "[ . 1 . 2 ]" 1
241 1 61 TRP H 1 61 TRP HD1 3.000 . 3.500 2.703 2.535 2.805 . 0 0 "[ . 1 . 2 ]" 1
242 1 61 TRP H 1 61 TRP HE1 5.000 . 6.000 5.017 4.857 5.100 . 0 0 "[ . 1 . 2 ]" 1
243 1 61 TRP HA 1 61 TRP HD1 4.000 . 4.750 4.017 3.956 4.080 . 0 0 "[ . 1 . 2 ]" 1
244 1 61 TRP HA 1 61 TRP HE3 4.000 . 4.750 3.160 3.068 3.229 . 0 0 "[ . 1 . 2 ]" 1
245 1 61 TRP HB3 1 61 TRP HE1 5.000 . 6.000 5.240 5.230 5.248 . 0 0 "[ . 1 . 2 ]" 1
246 1 61 TRP HB2 1 61 TRP HD1 3.000 . 3.500 2.631 2.609 2.648 . 0 0 "[ . 1 . 2 ]" 1
247 1 61 TRP HB2 1 61 TRP HE1 5.000 . 6.000 4.772 4.759 4.783 . 0 0 "[ . 1 . 2 ]" 1
248 1 62 THR H 1 62 THR HB 4.000 . 4.750 3.028 2.947 3.135 . 0 0 "[ . 1 . 2 ]" 1
249 1 62 THR H 1 62 THR MG 4.000 . 4.750 1.943 1.817 2.125 . 0 0 "[ . 1 . 2 ]" 1
250 1 62 THR HA 1 62 THR HB 3.000 . 3.500 2.451 2.423 2.492 . 0 0 "[ . 1 . 2 ]" 1
251 1 63 GLY H 1 63 GLY HA3 3.000 . 3.500 2.909 2.901 2.928 . 0 0 "[ . 1 . 2 ]" 1
252 1 64 SER H 1 64 SER HA 3.000 . 3.500 2.837 2.793 2.893 . 0 0 "[ . 1 . 2 ]" 1
253 1 64 SER HA 1 64 SER QB 2.500 . 2.800 2.220 2.169 2.362 . 0 0 "[ . 1 . 2 ]" 1
254 1 65 ASP H 1 65 ASP HA 3.000 . 3.500 2.819 2.809 2.834 . 0 0 "[ . 1 . 2 ]" 1
255 1 65 ASP H 1 65 ASP QB 3.000 . 3.500 2.107 1.931 2.587 . 0 0 "[ . 1 . 2 ]" 1
256 1 65 ASP HA 1 65 ASP QB 2.500 . 2.800 2.457 2.191 2.542 . 0 0 "[ . 1 . 2 ]" 1
257 1 67 LEU H 1 67 LEU HB3 4.000 . 4.750 3.385 3.309 3.444 . 0 0 "[ . 1 . 2 ]" 1
258 1 67 LEU H 1 67 LEU HB2 3.000 . 3.500 2.141 2.101 2.177 . 0 0 "[ . 1 . 2 ]" 1
259 1 67 LEU H 1 67 LEU HG 4.000 . 4.750 3.447 3.293 3.615 . 0 0 "[ . 1 . 2 ]" 1
260 1 67 LEU H 1 67 LEU MD1 5.000 . 6.000 3.963 3.801 4.057 . 0 0 "[ . 1 . 2 ]" 1
261 1 67 LEU H 1 67 LEU MD2 5.000 . 6.000 4.160 4.003 4.294 . 0 0 "[ . 1 . 2 ]" 1
262 1 67 LEU HA 1 67 LEU HG 4.000 . 4.750 2.473 2.285 2.657 . 0 0 "[ . 1 . 2 ]" 1
263 1 67 LEU HA 1 67 LEU MD2 4.000 . 4.750 1.930 1.819 2.169 . 0 0 "[ . 1 . 2 ]" 1
264 1 67 LEU HB3 1 67 LEU HG 3.000 . 3.500 3.022 3.000 3.032 . 0 0 "[ . 1 . 2 ]" 1
265 1 67 LEU HB3 1 67 LEU MD2 3.000 . 3.500 2.260 2.178 2.374 . 0 0 "[ . 1 . 2 ]" 1
266 1 67 LEU HB2 1 67 LEU HG 3.000 . 3.500 2.510 2.444 2.601 . 0 0 "[ . 1 . 2 ]" 1
267 1 67 LEU HB2 1 67 LEU MD1 3.000 . 3.500 2.328 2.149 2.432 . 0 0 "[ . 1 . 2 ]" 1
268 1 68 THR H 1 68 THR HB 3.000 . 3.500 2.895 2.769 3.065 . 0 0 "[ . 1 . 2 ]" 1
269 1 68 THR H 1 68 THR MG 4.000 . 4.750 2.147 1.914 2.346 . 0 0 "[ . 1 . 2 ]" 1
270 1 70 LEU H 1 70 LEU HG 5.000 . 6.000 4.099 4.013 4.241 . 0 0 "[ . 1 . 2 ]" 1
271 1 70 LEU H 1 70 LEU MD1 5.000 . 6.000 4.345 4.209 4.446 . 0 0 "[ . 1 . 2 ]" 1
272 1 70 LEU H 1 70 LEU MD2 5.000 . 6.000 4.157 3.974 4.302 . 0 0 "[ . 1 . 2 ]" 1
273 1 70 LEU HA 1 70 LEU HG 4.000 . 4.750 3.128 2.778 3.256 . 0 0 "[ . 1 . 2 ]" 1
274 1 70 LEU HA 1 70 LEU MD1 4.000 . 4.750 2.331 2.069 2.612 . 0 0 "[ . 1 . 2 ]" 1
275 1 70 LEU QB 1 70 LEU MD2 3.000 . 3.500 2.062 1.941 2.108 . 0 0 "[ . 1 . 2 ]" 1
276 1 71 THR H 1 71 THR HB 4.000 . 4.750 3.632 3.541 3.756 . 0 0 "[ . 1 . 2 ]" 1
277 1 71 THR H 1 71 THR MG 4.000 . 4.750 2.178 1.852 2.526 . 0 0 "[ . 1 . 2 ]" 1
278 1 72 SER H 1 72 SER QB 3.000 . 3.500 2.229 1.926 2.868 . 0 0 "[ . 1 . 2 ]" 1
279 1 73 GLU H 1 73 GLU HA 3.000 . 3.500 2.855 2.831 2.883 . 0 0 "[ . 1 . 2 ]" 1
280 1 73 GLU H 1 73 GLU QB 3.000 . 3.500 2.130 1.928 2.386 . 0 0 "[ . 1 . 2 ]" 1
281 1 73 GLU H 1 73 GLU QG 4.000 . 4.750 3.279 2.087 3.990 . 0 0 "[ . 1 . 2 ]" 1
282 1 73 GLU HA 1 73 GLU QG 3.000 . 3.500 2.265 1.916 2.751 . 0 0 "[ . 1 . 2 ]" 1
283 1 74 ALA H 1 74 ALA HA 3.000 . 3.500 2.851 2.824 2.878 . 0 0 "[ . 1 . 2 ]" 1
284 1 74 ALA H 1 74 ALA MB 3.000 . 3.500 2.095 1.916 2.156 . 0 0 "[ . 1 . 2 ]" 1
285 1 75 ILE H 1 75 ILE HA 3.000 . 3.500 2.839 2.817 2.868 . 0 0 "[ . 1 . 2 ]" 1
286 1 75 ILE H 1 75 ILE HB 3.000 . 3.500 2.265 1.838 2.467 . 0 0 "[ . 1 . 2 ]" 1
287 1 75 ILE H 1 75 ILE MD 4.000 . 4.750 3.203 3.077 3.358 . 0 0 "[ . 1 . 2 ]" 1
288 1 75 ILE H 1 75 ILE QG 3.000 . 3.500 2.266 1.847 3.140 . 0 0 "[ . 1 . 2 ]" 1
289 1 75 ILE HA 1 75 ILE HB 3.000 . 3.500 3.021 2.898 3.040 . 0 0 "[ . 1 . 2 ]" 1
290 1 75 ILE HA 1 75 ILE QG 3.000 . 3.500 2.334 2.077 2.466 . 0 0 "[ . 1 . 2 ]" 1
291 1 75 ILE HB 1 75 ILE QG 2.500 . 2.800 2.454 2.428 2.493 . 0 0 "[ . 1 . 2 ]" 1
292 1 75 ILE QG 1 75 ILE MG 3.000 . 3.500 2.172 2.066 2.243 . 0 0 "[ . 1 . 2 ]" 1
293 1 76 SER H 1 76 SER HA 3.000 . 3.500 2.846 2.823 2.900 . 0 0 "[ . 1 . 2 ]" 1
294 1 76 SER H 1 76 SER QB 3.000 . 3.500 2.106 1.947 2.478 . 0 0 "[ . 1 . 2 ]" 1
295 1 76 SER HA 1 76 SER QB 2.500 . 2.800 2.408 2.204 2.539 . 0 0 "[ . 1 . 2 ]" 1
296 1 77 GLN H 1 77 GLN HA 3.000 . 3.500 2.827 2.821 2.836 . 0 0 "[ . 1 . 2 ]" 1
297 1 77 GLN H 1 77 GLN QB 3.000 . 3.500 2.167 1.938 2.432 . 0 0 "[ . 1 . 2 ]" 1
298 1 77 GLN H 1 77 GLN QG 3.000 . 3.500 2.561 1.933 3.153 . 0 0 "[ . 1 . 2 ]" 1
299 1 77 GLN HA 1 77 GLN QB 2.500 . 2.800 2.395 2.178 2.524 . 0 0 "[ . 1 . 2 ]" 1
300 1 77 GLN HA 1 77 GLN QG 3.000 . 3.500 2.526 2.043 3.167 . 0 0 "[ . 1 . 2 ]" 1
301 1 78 PHE H 1 78 PHE HA 3.000 . 3.500 2.873 2.851 2.899 . 0 0 "[ . 1 . 2 ]" 1
302 1 78 PHE H 1 78 PHE HB3 3.000 . 3.500 2.214 2.184 2.241 . 0 0 "[ . 1 . 2 ]" 1
303 1 78 PHE H 1 78 PHE HB2 3.000 . 3.500 2.736 2.695 2.797 . 0 0 "[ . 1 . 2 ]" 1
304 1 78 PHE H 1 78 PHE QD 5.000 . 6.000 4.009 3.978 4.031 . 0 0 "[ . 1 . 2 ]" 1
305 1 78 PHE HA 1 78 PHE HB3 3.000 . 3.500 3.024 3.021 3.028 . 0 0 "[ . 1 . 2 ]" 1
306 1 78 PHE HA 1 78 PHE HB2 3.000 . 3.500 2.375 2.366 2.391 . 0 0 "[ . 1 . 2 ]" 1
307 1 79 LEU H 1 79 LEU HB3 4.000 . 4.750 3.542 3.530 3.585 . 0 0 "[ . 1 . 2 ]" 1
308 1 79 LEU H 1 79 LEU HB2 3.000 . 3.500 2.507 2.483 2.544 . 0 0 "[ . 1 . 2 ]" 1
309 1 79 LEU H 1 79 LEU HG 3.000 . 3.500 1.876 1.837 2.085 . 0 0 "[ . 1 . 2 ]" 1
310 1 79 LEU H 1 79 LEU MD1 5.000 . 6.000 3.497 3.447 3.717 . 0 0 "[ . 1 . 2 ]" 1
311 1 79 LEU H 1 79 LEU MD2 4.000 . 4.750 2.871 2.561 2.983 . 0 0 "[ . 1 . 2 ]" 1
312 1 79 LEU HA 1 79 LEU HB3 3.000 . 3.500 2.489 2.481 2.500 . 0 0 "[ . 1 . 2 ]" 1
313 1 79 LEU HA 1 79 LEU HB2 3.000 . 3.500 3.044 3.041 3.046 . 0 0 "[ . 1 . 2 ]" 1
314 1 79 LEU HA 1 79 LEU HG 3.000 . 3.500 3.140 3.073 3.327 . 0 0 "[ . 1 . 2 ]" 1
315 1 79 LEU HA 1 79 LEU MD1 4.000 . 4.750 3.766 3.617 3.802 . 0 0 "[ . 1 . 2 ]" 1
316 1 79 LEU HA 1 79 LEU MD2 3.000 . 3.500 1.913 1.753 2.051 0.047 17 0 "[ . 1 . 2 ]" 1
317 1 79 LEU HB3 1 79 LEU HG 3.000 . 3.500 3.029 2.998 3.034 . 0 0 "[ . 1 . 2 ]" 1
318 1 79 LEU HB3 1 79 LEU MD2 3.000 . 3.500 2.385 2.298 2.618 . 0 0 "[ . 1 . 2 ]" 1
319 1 79 LEU HB2 1 79 LEU HG 2.500 . 2.800 2.432 2.334 2.457 . 0 0 "[ . 1 . 2 ]" 1
320 1 80 GLU H 1 80 GLU HA 3.000 . 3.500 2.864 2.860 2.867 . 0 0 "[ . 1 . 2 ]" 1
321 1 80 GLU H 1 80 GLU QB 3.000 . 3.500 2.223 1.922 2.451 . 0 0 "[ . 1 . 2 ]" 1
322 1 80 GLU H 1 80 GLU QG 4.000 . 4.750 2.505 2.083 3.592 . 0 0 "[ . 1 . 2 ]" 1
323 1 80 GLU HA 1 80 GLU QG 3.000 . 3.500 2.596 2.213 3.220 . 0 0 "[ . 1 . 2 ]" 1
324 1 81 LYS H 1 81 LYS HA 3.000 . 3.500 2.987 2.983 2.991 . 0 0 "[ . 1 . 2 ]" 1
325 1 81 LYS H 1 81 LYS QB 3.000 . 3.500 2.604 2.465 3.092 . 0 0 "[ . 1 . 2 ]" 1
326 1 81 LYS H 1 81 LYS QG 4.000 . 4.750 3.611 1.892 4.238 . 0 0 "[ . 1 . 2 ]" 1
327 1 81 LYS HA 1 81 LYS QD 4.000 . 4.750 3.491 2.255 4.234 . 0 0 "[ . 1 . 2 ]" 1
328 1 81 LYS QB 1 81 LYS QD 3.000 . 3.500 2.058 1.896 2.409 . 0 0 "[ . 1 . 2 ]" 1
329 1 81 LYS QB 1 81 LYS QE 4.000 . 4.750 3.015 2.142 3.641 . 0 0 "[ . 1 . 2 ]" 1
330 1 83 LYS H 1 83 LYS QB 3.000 . 3.500 2.697 2.639 2.738 . 0 0 "[ . 1 . 2 ]" 1
331 1 83 LYS HA 1 83 LYS QD 4.000 . 4.750 2.674 1.908 3.313 . 0 0 "[ . 1 . 2 ]" 1
332 1 83 LYS QB 1 83 LYS QD 3.000 . 3.500 2.135 1.922 2.574 . 0 0 "[ . 1 . 2 ]" 1
333 1 85 LYS H 1 85 LYS QB 3.000 . 3.500 2.217 1.981 2.277 . 0 0 "[ . 1 . 2 ]" 1
334 1 85 LYS H 1 85 LYS QG 4.000 . 4.750 3.979 3.358 4.077 . 0 0 "[ . 1 . 2 ]" 1
335 1 85 LYS H 1 85 LYS QD 4.000 . 4.750 4.116 3.632 4.352 . 0 0 "[ . 1 . 2 ]" 1
336 1 85 LYS HA 1 85 LYS QG 3.000 . 3.500 2.402 2.110 3.038 . 0 0 "[ . 1 . 2 ]" 1
337 1 85 LYS HA 1 85 LYS QD 4.000 . 4.750 2.605 1.912 3.413 . 0 0 "[ . 1 . 2 ]" 1
338 1 85 LYS QB 1 85 LYS QD 3.000 . 3.500 2.171 1.961 2.407 . 0 0 "[ . 1 . 2 ]" 1
339 1 85 LYS QB 1 85 LYS QE 4.000 . 4.750 3.296 2.464 3.772 . 0 0 "[ . 1 . 2 ]" 1
340 1 85 LYS QE 1 85 LYS QG 3.000 . 3.500 2.058 1.908 2.272 . 0 0 "[ . 1 . 2 ]" 1
341 1 86 THR H 1 86 THR HB 3.000 . 3.500 3.366 3.308 3.513 0.013 2 0 "[ . 1 . 2 ]" 1
342 1 89 LEU H 1 89 LEU HA 3.000 . 3.500 2.877 2.852 2.918 . 0 0 "[ . 1 . 2 ]" 1
343 1 89 LEU H 1 89 LEU QB 3.000 . 3.500 2.194 2.183 2.222 . 0 0 "[ . 1 . 2 ]" 1
344 1 89 LEU H 1 89 LEU HG 4.000 . 4.750 4.356 4.328 4.369 . 0 0 "[ . 1 . 2 ]" 1
345 1 89 LEU H 1 89 LEU MD1 5.000 . 6.000 4.089 4.021 4.197 . 0 0 "[ . 1 . 2 ]" 1
346 1 89 LEU H 1 89 LEU MD2 5.000 . 6.000 4.144 4.063 4.194 . 0 0 "[ . 1 . 2 ]" 1
347 1 89 LEU HA 1 89 LEU HG 4.000 . 4.750 2.549 2.473 2.601 . 0 0 "[ . 1 . 2 ]" 1
348 1 89 LEU HA 1 89 LEU MD1 4.000 . 4.750 2.740 2.626 2.865 . 0 0 "[ . 1 . 2 ]" 1
349 1 89 LEU HA 1 89 LEU MD2 4.000 . 4.750 3.815 3.782 3.837 . 0 0 "[ . 1 . 2 ]" 1
350 1 89 LEU QB 1 89 LEU MD2 3.000 . 3.500 2.040 1.992 2.079 . 0 0 "[ . 1 . 2 ]" 1
351 1 90 ILE H 1 90 ILE HB 3.000 . 3.500 2.578 2.498 2.654 . 0 0 "[ . 1 . 2 ]" 1
352 1 90 ILE H 1 90 ILE MD 5.000 . 6.000 3.499 3.340 3.619 . 0 0 "[ . 1 . 2 ]" 1
353 1 90 ILE H 1 90 ILE QG 3.000 . 3.500 1.834 1.807 1.967 . 0 0 "[ . 1 . 2 ]" 1
354 1 90 ILE HA 1 90 ILE HB 3.000 . 3.500 3.035 3.030 3.039 . 0 0 "[ . 1 . 2 ]" 1
355 1 90 ILE HA 1 90 ILE MG 3.000 . 3.500 2.322 2.236 2.408 . 0 0 "[ . 1 . 2 ]" 1
356 1 90 ILE HA 1 90 ILE QG 3.000 . 3.500 2.414 2.353 2.444 . 0 0 "[ . 1 . 2 ]" 1
357 1 90 ILE QG 1 90 ILE MG 3.000 . 3.500 2.302 2.149 2.390 . 0 0 "[ . 1 . 2 ]" 1
358 1 91 LYS H 1 91 LYS HA 3.000 . 3.500 2.916 2.900 2.923 . 0 0 "[ . 1 . 2 ]" 1
359 1 91 LYS H 1 91 LYS QB 3.000 . 3.500 2.191 1.993 2.296 . 0 0 "[ . 1 . 2 ]" 1
360 1 91 LYS H 1 91 LYS QG 3.000 . 3.500 2.487 2.209 3.119 . 0 0 "[ . 1 . 2 ]" 1
361 1 91 LYS H 1 91 LYS QD 4.000 . 4.750 3.911 3.232 4.283 . 0 0 "[ . 1 . 2 ]" 1
362 1 91 LYS HA 1 91 LYS QB 2.500 . 2.800 2.392 2.171 2.493 . 0 0 "[ . 1 . 2 ]" 1
363 1 91 LYS HA 1 91 LYS QG 3.000 . 3.500 2.571 2.111 3.279 . 0 0 "[ . 1 . 2 ]" 1
364 1 91 LYS HA 1 91 LYS QD 4.000 . 4.750 3.254 1.853 4.298 . 0 0 "[ . 1 . 2 ]" 1
365 1 91 LYS QB 1 91 LYS QD 3.000 . 3.500 2.151 2.013 2.384 . 0 0 "[ . 1 . 2 ]" 1
366 1 91 LYS QB 1 91 LYS QE 4.000 . 4.750 3.048 2.240 3.652 . 0 0 "[ . 1 . 2 ]" 1
367 1 91 LYS QE 1 91 LYS QG 3.000 . 3.500 2.102 1.960 2.437 . 0 0 "[ . 1 . 2 ]" 1
368 1 92 ALA H 1 92 ALA MB 3.000 . 3.500 2.111 2.047 2.143 . 0 0 "[ . 1 . 2 ]" 1
369 1 93 TYR H 1 93 TYR HA 3.000 . 3.500 2.898 2.876 2.923 . 0 0 "[ . 1 . 2 ]" 1
370 1 93 TYR H 1 93 TYR HB3 3.000 . 3.500 3.396 3.327 3.458 . 0 0 "[ . 1 . 2 ]" 1
371 1 93 TYR H 1 93 TYR HB2 3.000 . 3.500 2.016 1.938 2.104 . 0 0 "[ . 1 . 2 ]" 1
372 1 93 TYR H 1 93 TYR QD 4.000 . 4.750 2.996 2.682 3.275 . 0 0 "[ . 1 . 2 ]" 1
373 1 93 TYR HA 1 93 TYR QD 4.000 . 4.750 2.365 2.060 2.577 . 0 0 "[ . 1 . 2 ]" 1
374 1 94 LYS H 1 94 LYS HA 3.000 . 3.500 2.846 2.818 2.877 . 0 0 "[ . 1 . 2 ]" 1
375 1 94 LYS H 1 94 LYS QB 3.000 . 3.500 2.156 2.127 2.177 . 0 0 "[ . 1 . 2 ]" 1
376 1 94 LYS H 1 94 LYS QG 4.000 . 4.750 3.923 3.876 3.969 . 0 0 "[ . 1 . 2 ]" 1
377 1 94 LYS HA 1 94 LYS QB 2.500 . 2.800 2.347 2.303 2.406 . 0 0 "[ . 1 . 2 ]" 1
378 1 94 LYS HA 1 94 LYS QG 3.000 . 3.500 2.550 2.276 2.908 . 0 0 "[ . 1 . 2 ]" 1
379 1 94 LYS HA 1 94 LYS QD 4.000 . 4.750 3.190 2.051 4.246 . 0 0 "[ . 1 . 2 ]" 1
380 1 94 LYS QB 1 94 LYS QD 3.000 . 3.500 2.391 2.113 2.716 . 0 0 "[ . 1 . 2 ]" 1
381 1 94 LYS QE 1 94 LYS QG 3.000 . 3.500 2.335 2.033 2.647 . 0 0 "[ . 1 . 2 ]" 1
382 1 95 MET H 1 95 MET HB3 3.000 . 3.500 2.803 2.545 2.951 . 0 0 "[ . 1 . 2 ]" 1
383 1 95 MET H 1 95 MET HB2 3.000 . 3.500 2.203 2.087 2.462 . 0 0 "[ . 1 . 2 ]" 1
384 1 95 MET H 1 95 MET ME 5.000 . 6.000 4.910 4.728 5.053 . 0 0 "[ . 1 . 2 ]" 1
385 1 95 MET H 1 95 MET QG 4.000 . 4.750 3.837 3.734 3.948 . 0 0 "[ . 1 . 2 ]" 1
386 1 95 MET HA 1 95 MET HB3 3.000 . 3.500 2.989 2.956 3.032 . 0 0 "[ . 1 . 2 ]" 1
387 1 95 MET HA 1 95 MET HB2 3.000 . 3.500 2.681 2.548 2.754 . 0 0 "[ . 1 . 2 ]" 1
388 1 95 MET HA 1 95 MET ME 5.000 . 6.000 3.958 3.567 4.480 . 0 0 "[ . 1 . 2 ]" 1
389 1 95 MET HA 1 95 MET QG 3.000 . 3.500 2.266 2.106 2.425 . 0 0 "[ . 1 . 2 ]" 1
390 1 95 MET HB3 1 95 MET ME 4.000 . 4.750 2.557 2.395 2.919 . 0 0 "[ . 1 . 2 ]" 1
391 1 95 MET HB2 1 95 MET ME 4.000 . 4.750 3.692 3.566 3.795 . 0 0 "[ . 1 . 2 ]" 1
392 1 96 ALA H 1 96 ALA HA 3.000 . 3.500 2.885 2.859 2.910 . 0 0 "[ . 1 . 2 ]" 1
393 1 97 GLN H 1 97 GLN HA 3.000 . 3.500 2.856 2.811 2.914 . 0 0 "[ . 1 . 2 ]" 1
394 1 97 GLN H 1 97 GLN QB 3.000 . 3.500 2.101 1.984 2.396 . 0 0 "[ . 1 . 2 ]" 1
395 1 97 GLN H 1 97 GLN QG 4.000 . 4.750 3.746 1.798 3.967 0.002 17 0 "[ . 1 . 2 ]" 1
396 1 97 GLN HA 1 97 GLN QG 3.000 . 3.500 2.509 2.012 3.096 . 0 0 "[ . 1 . 2 ]" 1
397 1 97 GLN HA 1 97 GLN QE 5.000 . 6.000 3.984 1.847 4.876 . 0 0 "[ . 1 . 2 ]" 1
398 1 98 SER H 1 98 SER HA 3.000 . 3.500 2.914 2.849 2.980 . 0 0 "[ . 1 . 2 ]" 1
399 1 98 SER H 1 98 SER QB 3.000 . 3.500 2.209 1.939 2.705 . 0 0 "[ . 1 . 2 ]" 1
400 1 99 THR H 1 99 THR HB 3.000 . 3.500 2.378 2.193 2.844 . 0 0 "[ . 1 . 2 ]" 1
401 1 102 LEU H 1 102 LEU HB3 3.000 . 3.500 2.425 2.055 3.004 . 0 0 "[ . 1 . 2 ]" 1
402 1 102 LEU H 1 102 LEU HB2 3.000 . 3.500 2.469 1.957 2.818 . 0 0 "[ . 1 . 2 ]" 1
403 1 102 LEU H 1 102 LEU HG 4.000 . 4.750 4.161 3.922 4.318 . 0 0 "[ . 1 . 2 ]" 1
404 1 102 LEU H 1 102 LEU MD1 5.000 . 6.000 4.001 3.513 4.231 . 0 0 "[ . 1 . 2 ]" 1
405 1 102 LEU H 1 102 LEU MD2 5.000 . 6.000 4.116 3.831 4.367 . 0 0 "[ . 1 . 2 ]" 1
406 1 102 LEU HA 1 102 LEU HB3 3.000 . 3.500 2.995 2.935 3.029 . 0 0 "[ . 1 . 2 ]" 1
407 1 102 LEU HA 1 102 LEU HB2 3.000 . 3.500 2.488 2.329 2.775 . 0 0 "[ . 1 . 2 ]" 1
408 1 102 LEU HA 1 102 LEU HG 4.000 . 4.750 2.717 1.956 3.268 . 0 0 "[ . 1 . 2 ]" 1
409 1 102 LEU HA 1 102 LEU MD1 4.000 . 4.750 2.695 2.168 3.452 . 0 0 "[ . 1 . 2 ]" 1
410 1 102 LEU HA 1 102 LEU MD2 4.000 . 4.750 3.728 2.965 3.986 . 0 0 "[ . 1 . 2 ]" 1
411 1 102 LEU HB3 1 102 LEU HG 3.000 . 3.500 2.716 2.539 2.959 . 0 0 "[ . 1 . 2 ]" 1
412 1 102 LEU HB2 1 102 LEU HG 3.000 . 3.500 2.936 2.716 3.031 . 0 0 "[ . 1 . 2 ]" 1
413 1 103 ASP H 1 103 ASP HA 3.000 . 3.500 2.842 2.817 2.899 . 0 0 "[ . 1 . 2 ]" 1
414 1 103 ASP H 1 103 ASP QB 3.000 . 3.500 2.099 1.930 2.465 . 0 0 "[ . 1 . 2 ]" 1
415 1 104 SER H 1 104 SER QB 3.000 . 3.500 2.253 1.965 2.875 . 0 0 "[ . 1 . 2 ]" 1
416 1 105 LEU H 1 105 LEU MD1 5.000 . 6.000 3.145 2.978 3.470 . 0 0 "[ . 1 . 2 ]" 1
417 1 105 LEU H 1 105 LEU MD2 4.000 . 4.750 3.954 3.875 3.999 . 0 0 "[ . 1 . 2 ]" 1
418 1 105 LEU H 1 105 LEU QB 3.000 . 3.500 1.980 1.940 2.057 . 0 0 "[ . 1 . 2 ]" 1
419 1 105 LEU HA 1 105 LEU MD1 4.000 . 4.750 1.824 1.782 1.870 0.018 10 0 "[ . 1 . 2 ]" 1
420 1 105 LEU HA 1 105 LEU MD2 4.000 . 4.750 3.681 3.673 3.701 . 0 0 "[ . 1 . 2 ]" 1
421 1 105 LEU QB 1 105 LEU MD2 3.000 . 3.500 2.063 2.021 2.096 . 0 0 "[ . 1 . 2 ]" 1
422 1 106 SER H 1 106 SER HA 3.000 . 3.500 2.990 2.930 3.004 . 0 0 "[ . 1 . 2 ]" 1
423 1 106 SER H 1 106 SER QB 3.000 . 3.500 2.438 1.968 2.964 . 0 0 "[ . 1 . 2 ]" 1
424 1 107 VAL H 1 107 VAL HA 3.000 . 3.500 2.958 2.921 2.999 . 0 0 "[ . 1 . 2 ]" 1
425 1 107 VAL H 1 107 VAL HB 3.000 . 3.500 3.123 1.964 3.592 0.092 23 0 "[ . 1 . 2 ]" 1
426 1 107 VAL H 1 107 VAL MG1 4.000 . 4.750 2.552 1.961 3.235 . 0 0 "[ . 1 . 2 ]" 1
427 1 107 VAL H 1 107 VAL MG2 4.000 . 4.750 2.476 1.835 3.852 . 0 0 "[ . 1 . 2 ]" 1
428 1 109 SER H 1 109 SER QB 3.000 . 3.500 2.579 2.118 3.060 . 0 0 "[ . 1 . 2 ]" 1
429 1 2 SER HA 1 3 GLU H 4.000 . 4.750 2.712 2.222 3.593 . 0 0 "[ . 1 . 2 ]" 1
430 1 2 SER QB 1 3 GLU H 4.000 . 4.750 3.540 2.206 4.064 . 0 0 "[ . 1 . 2 ]" 1
431 1 3 GLU H 1 4 ARG H 5.000 . 6.000 4.209 2.947 4.691 . 0 0 "[ . 1 . 2 ]" 1
432 1 3 GLU HA 1 4 ARG H 2.500 . 2.800 2.385 2.212 2.810 0.010 3 0 "[ . 1 . 2 ]" 1
433 1 3 GLU QB 1 4 ARG H 4.000 . 4.750 3.396 2.219 4.052 . 0 0 "[ . 1 . 2 ]" 1
434 1 4 ARG H 1 5 VAL H 4.000 . 4.750 4.385 3.333 4.700 . 0 0 "[ . 1 . 2 ]" 1
435 1 4 ARG HA 1 5 VAL H 2.500 . 2.800 2.376 2.218 2.687 . 0 0 "[ . 1 . 2 ]" 1
436 1 4 ARG HA 1 5 VAL MG2 5.000 . 6.000 3.512 2.994 4.386 . 0 0 "[ . 1 . 2 ]" 1
437 1 4 ARG QB 1 5 VAL H 4.000 . 4.750 3.135 2.279 4.073 . 0 0 "[ . 1 . 2 ]" 1
438 1 5 VAL HA 1 6 ASN H 2.500 . 2.800 2.274 2.214 2.335 . 0 0 "[ . 1 . 2 ]" 1
439 1 5 VAL HA 1 6 ASN QB 4.000 . 4.750 4.062 3.933 4.253 . 0 0 "[ . 1 . 2 ]" 1
440 1 5 VAL HB 1 6 ASN H 4.000 . 4.750 3.967 3.521 4.653 . 0 0 "[ . 1 . 2 ]" 1
441 1 5 VAL MG1 1 6 ASN H 4.000 . 4.750 2.675 2.185 3.352 . 0 0 "[ . 1 . 2 ]" 1
442 1 5 VAL MG1 1 6 ASN HA 5.000 . 6.000 4.301 3.723 4.615 . 0 0 "[ . 1 . 2 ]" 1
443 1 5 VAL MG1 1 6 ASN QB 5.000 . 6.000 4.007 3.763 4.467 . 0 0 "[ . 1 . 2 ]" 1
444 1 5 VAL MG2 1 6 ASN H 5.000 . 6.000 4.150 3.701 4.360 . 0 0 "[ . 1 . 2 ]" 1
445 1 6 ASN H 1 7 TYR H 5.000 . 6.000 4.271 4.205 4.412 . 0 0 "[ . 1 . 2 ]" 1
446 1 6 ASN HA 1 7 TYR H 3.000 . 3.500 2.228 2.204 2.255 . 0 0 "[ . 1 . 2 ]" 1
447 1 6 ASN HA 1 7 TYR QD 4.000 . 4.750 4.273 4.159 4.342 . 0 0 "[ . 1 . 2 ]" 1
448 1 6 ASN HA 1 7 TYR QE 5.000 . 6.000 5.362 5.241 5.425 . 0 0 "[ . 1 . 2 ]" 1
449 1 6 ASN QB 1 7 TYR H 4.000 . 4.750 3.856 3.630 4.016 . 0 0 "[ . 1 . 2 ]" 1
450 1 7 TYR H 1 8 LYS H 4.000 . 4.750 4.557 4.382 4.663 . 0 0 "[ . 1 . 2 ]" 1
451 1 7 TYR HA 1 8 LYS H 3.000 . 3.500 2.230 2.152 2.323 . 0 0 "[ . 1 . 2 ]" 1
452 1 7 TYR HB3 1 8 LYS H 4.000 . 4.750 3.270 2.861 3.722 . 0 0 "[ . 1 . 2 ]" 1
453 1 7 TYR HB2 1 8 LYS H 4.000 . 4.750 4.189 3.964 4.419 . 0 0 "[ . 1 . 2 ]" 1
454 1 7 TYR QD 1 8 LYS H 4.000 . 4.750 3.773 3.543 4.087 . 0 0 "[ . 1 . 2 ]" 1
455 1 8 LYS HA 1 9 PRO QD 3.000 . 3.500 2.166 2.122 2.213 . 0 0 "[ . 1 . 2 ]" 1
456 1 8 LYS QB 1 9 PRO QD 3.000 . 3.500 1.964 1.849 2.308 . 0 0 "[ . 1 . 2 ]" 1
457 1 8 LYS QG 1 9 PRO QD 4.000 . 4.750 3.188 2.107 3.759 . 0 0 "[ . 1 . 2 ]" 1
458 1 9 PRO HA 1 10 GLY H 4.000 . 4.750 2.213 2.197 2.230 . 0 0 "[ . 1 . 2 ]" 1
459 1 9 PRO QB 1 10 GLY H 4.000 . 4.750 3.539 3.485 3.556 . 0 0 "[ . 1 . 2 ]" 1
460 1 10 GLY H 1 11 MET H 3.000 . 3.500 2.254 2.189 2.346 . 0 0 "[ . 1 . 2 ]" 1
461 1 10 GLY HA3 1 11 MET H 5.000 . 6.000 3.328 3.293 3.352 . 0 0 "[ . 1 . 2 ]" 1
462 1 10 GLY HA2 1 11 MET H 4.000 . 4.750 3.288 3.266 3.326 . 0 0 "[ . 1 . 2 ]" 1
463 1 11 MET H 1 12 ARG H 4.000 . 4.750 4.536 4.490 4.578 . 0 0 "[ . 1 . 2 ]" 1
464 1 11 MET HA 1 12 ARG H 3.000 . 3.500 2.209 2.193 2.234 . 0 0 "[ . 1 . 2 ]" 1
465 1 11 MET HB3 1 12 ARG H 4.000 . 4.750 3.542 3.425 3.659 . 0 0 "[ . 1 . 2 ]" 1
466 1 11 MET HB2 1 12 ARG H 4.000 . 4.750 4.486 4.434 4.540 . 0 0 "[ . 1 . 2 ]" 1
467 1 11 MET ME 1 12 ARG H 5.000 . 6.000 4.160 3.945 4.421 . 0 0 "[ . 1 . 2 ]" 1
468 1 11 MET QG 1 12 ARG H 4.000 . 4.750 3.639 3.516 3.841 . 0 0 "[ . 1 . 2 ]" 1
469 1 12 ARG H 1 13 VAL H 4.000 . 4.750 4.492 4.469 4.524 . 0 0 "[ . 1 . 2 ]" 1
470 1 12 ARG H 1 13 VAL MG1 5.000 . 6.000 3.919 3.817 4.106 . 0 0 "[ . 1 . 2 ]" 1
471 1 12 ARG HA 1 13 VAL H 3.000 . 3.500 2.204 2.183 2.225 . 0 0 "[ . 1 . 2 ]" 1
472 1 12 ARG QB 1 13 VAL H 4.000 . 4.750 3.494 3.419 3.534 . 0 0 "[ . 1 . 2 ]" 1
473 1 13 VAL HA 1 14 LEU H 4.000 . 4.750 2.457 2.397 2.492 . 0 0 "[ . 1 . 2 ]" 1
474 1 13 VAL HB 1 14 LEU H 3.000 . 3.500 2.532 2.443 2.648 . 0 0 "[ . 1 . 2 ]" 1
475 1 13 VAL MG1 1 14 LEU H 4.000 . 4.750 3.880 3.820 3.965 . 0 0 "[ . 1 . 2 ]" 1
476 1 13 VAL MG2 1 14 LEU H 4.000 . 4.750 3.245 3.069 3.385 . 0 0 "[ . 1 . 2 ]" 1
477 1 14 LEU H 1 15 THR H 5.000 . 6.000 4.405 4.329 4.483 . 0 0 "[ . 1 . 2 ]" 1
478 1 14 LEU HA 1 15 THR H 4.000 . 4.750 2.221 2.206 2.241 . 0 0 "[ . 1 . 2 ]" 1
479 1 14 LEU HG 1 15 THR H 4.000 . 4.750 4.716 4.653 4.772 0.022 7 0 "[ . 1 . 2 ]" 1
480 1 14 LEU MD1 1 15 THR H 5.000 . 6.000 4.799 4.617 4.947 . 0 0 "[ . 1 . 2 ]" 1
481 1 14 LEU MD2 1 15 THR H 4.000 . 4.750 2.525 2.348 2.671 . 0 0 "[ . 1 . 2 ]" 1
482 1 14 LEU MD2 1 15 THR HG1 5.000 . 6.000 4.340 3.894 4.876 . 0 0 "[ . 1 . 2 ]" 1
483 1 14 LEU QB 1 15 THR H 4.000 . 4.750 3.570 3.422 3.690 . 0 0 "[ . 1 . 2 ]" 1
484 1 15 THR H 1 16 LYS H 5.000 . 6.000 4.304 4.210 4.383 . 0 0 "[ . 1 . 2 ]" 1
485 1 15 THR HA 1 16 LYS H 3.000 . 3.500 2.203 2.164 2.233 . 0 0 "[ . 1 . 2 ]" 1
486 1 15 THR HB 1 16 LYS H 5.000 . 6.000 3.820 3.704 4.119 . 0 0 "[ . 1 . 2 ]" 1
487 1 15 THR MG 1 16 LYS H 4.000 . 4.750 3.878 3.302 4.039 . 0 0 "[ . 1 . 2 ]" 1
488 1 16 LYS H 1 17 MET H 5.000 . 6.000 4.642 4.620 4.667 . 0 0 "[ . 1 . 2 ]" 1
489 1 16 LYS HA 1 17 MET H 3.000 . 3.500 2.286 2.264 2.306 . 0 0 "[ . 1 . 2 ]" 1
490 1 16 LYS QB 1 17 MET H 4.000 . 4.750 3.480 3.135 3.721 . 0 0 "[ . 1 . 2 ]" 1
491 1 16 LYS QG 1 17 MET H 5.000 . 6.000 3.334 2.768 4.201 . 0 0 "[ . 1 . 2 ]" 1
492 1 17 MET HA 1 18 SER H 3.000 . 3.500 2.433 2.381 2.526 . 0 0 "[ . 1 . 2 ]" 1
493 1 17 MET HB3 1 18 SER H 4.000 . 4.750 3.131 2.893 3.243 . 0 0 "[ . 1 . 2 ]" 1
494 1 17 MET QG 1 18 SER H 5.000 . 6.000 2.432 2.260 2.685 . 0 0 "[ . 1 . 2 ]" 1
495 1 18 SER H 1 19 GLY H 5.000 . 6.000 4.566 4.555 4.576 . 0 0 "[ . 1 . 2 ]" 1
496 1 18 SER HA 1 19 GLY H 3.000 . 3.500 2.213 2.206 2.218 . 0 0 "[ . 1 . 2 ]" 1
497 1 18 SER HA 1 19 GLY HA2 4.000 . 4.750 4.480 4.472 4.490 . 0 0 "[ . 1 . 2 ]" 1
498 1 18 SER QB 1 19 GLY H 4.000 . 4.750 3.610 3.413 3.864 . 0 0 "[ . 1 . 2 ]" 1
499 1 19 GLY H 1 20 PHE H 3.000 . 3.500 2.596 2.556 2.642 . 0 0 "[ . 1 . 2 ]" 1
500 1 19 GLY HA3 1 20 PHE H 4.000 . 4.750 3.125 3.087 3.201 . 0 0 "[ . 1 . 2 ]" 1
501 1 19 GLY HA2 1 20 PHE H 4.000 . 4.750 3.418 3.381 3.451 . 0 0 "[ . 1 . 2 ]" 1
502 1 20 PHE HA 1 21 PRO HD3 4.000 . 4.750 2.356 2.230 2.424 . 0 0 "[ . 1 . 2 ]" 1
503 1 20 PHE HA 1 21 PRO HD2 5.000 . 6.000 1.984 1.913 2.077 . 0 0 "[ . 1 . 2 ]" 1
504 1 20 PHE HB3 1 21 PRO HD3 4.000 . 4.750 4.511 4.333 4.666 . 0 0 "[ . 1 . 2 ]" 1
505 1 20 PHE HB3 1 21 PRO HD2 4.000 . 4.750 3.353 3.108 3.589 . 0 0 "[ . 1 . 2 ]" 1
506 1 20 PHE HB2 1 21 PRO HD3 5.000 . 6.000 5.121 4.999 5.181 . 0 0 "[ . 1 . 2 ]" 1
507 1 20 PHE HB2 1 21 PRO HD2 4.000 . 4.750 4.367 4.227 4.481 . 0 0 "[ . 1 . 2 ]" 1
508 1 20 PHE QD 1 21 PRO HD3 4.000 . 4.750 3.381 3.053 4.258 . 0 0 "[ . 1 . 2 ]" 1
509 1 21 PRO HA 1 22 TRP H 5.000 . 6.000 2.398 2.357 2.423 . 0 0 "[ . 1 . 2 ]" 1
510 1 21 PRO HA 1 22 TRP HE1 5.000 . 6.000 5.273 5.099 5.539 . 0 0 "[ . 1 . 2 ]" 1
511 1 21 PRO HB3 1 22 TRP H 4.000 . 4.750 3.700 3.660 3.732 . 0 0 "[ . 1 . 2 ]" 1
512 1 21 PRO HB2 1 22 TRP H 4.000 . 4.750 2.953 2.923 2.984 . 0 0 "[ . 1 . 2 ]" 1
513 1 21 PRO HB2 1 22 TRP HD1 5.000 . 6.000 4.445 4.307 4.691 . 0 0 "[ . 1 . 2 ]" 1
514 1 22 TRP HA 1 23 TRP H 3.000 . 3.500 2.209 2.190 2.228 . 0 0 "[ . 1 . 2 ]" 1
515 1 22 TRP HB3 1 23 TRP H 5.000 . 6.000 3.538 3.494 3.564 . 0 0 "[ . 1 . 2 ]" 1
516 1 22 TRP HB2 1 23 TRP H 5.000 . 6.000 4.357 4.318 4.403 . 0 0 "[ . 1 . 2 ]" 1
517 1 22 TRP HE3 1 23 TRP H 5.000 . 6.000 4.353 4.093 4.607 . 0 0 "[ . 1 . 2 ]" 1
518 1 23 TRP HA 1 24 PRO QD 4.000 . 4.750 1.985 1.950 2.022 . 0 0 "[ . 1 . 2 ]" 1
519 1 23 TRP HD1 1 24 PRO QB 5.000 . 6.000 4.476 4.357 4.568 . 0 0 "[ . 1 . 2 ]" 1
520 1 23 TRP HD1 1 24 PRO QD 5.000 . 6.000 2.436 2.347 2.490 . 0 0 "[ . 1 . 2 ]" 1
521 1 24 PRO HA 1 25 SER H 3.000 . 3.500 2.222 2.201 2.273 . 0 0 "[ . 1 . 2 ]" 1
522 1 24 PRO QB 1 25 SER H 5.000 . 6.000 3.688 3.653 3.770 . 0 0 "[ . 1 . 2 ]" 1
523 1 25 SER HA 1 26 MET H 3.000 . 3.500 2.321 2.260 2.433 . 0 0 "[ . 1 . 2 ]" 1
524 1 25 SER QB 1 26 MET H 3.000 . 3.500 3.010 2.736 3.156 . 0 0 "[ . 1 . 2 ]" 1
525 1 26 MET HA 1 27 VAL H 4.000 . 4.750 2.284 2.267 2.304 . 0 0 "[ . 1 . 2 ]" 1
526 1 26 MET HA 1 27 VAL MG2 5.000 . 6.000 3.619 3.464 3.759 . 0 0 "[ . 1 . 2 ]" 1
527 1 26 MET HB3 1 27 VAL H 5.000 . 6.000 3.916 3.757 4.230 . 0 0 "[ . 1 . 2 ]" 1
528 1 26 MET HB2 1 27 VAL H 4.000 . 4.750 4.242 4.052 4.354 . 0 0 "[ . 1 . 2 ]" 1
529 1 26 MET QG 1 27 VAL H 4.000 . 4.750 2.280 2.029 2.534 . 0 0 "[ . 1 . 2 ]" 1
530 1 26 MET QG 1 27 VAL MG2 5.000 . 6.000 3.975 3.755 4.108 . 0 0 "[ . 1 . 2 ]" 1
531 1 27 VAL H 1 28 VAL H 4.000 . 4.750 4.460 4.375 4.545 . 0 0 "[ . 1 . 2 ]" 1
532 1 27 VAL HA 1 28 VAL H 2.500 . 2.800 2.215 2.193 2.247 . 0 0 "[ . 1 . 2 ]" 1
533 1 27 VAL HA 1 28 VAL MG2 5.000 . 6.000 3.868 3.757 4.186 . 0 0 "[ . 1 . 2 ]" 1
534 1 27 VAL HB 1 28 VAL H 4.000 . 4.750 4.389 4.314 4.470 . 0 0 "[ . 1 . 2 ]" 1
535 1 27 VAL MG1 1 28 VAL H 5.000 . 6.000 2.955 2.677 3.246 . 0 0 "[ . 1 . 2 ]" 1
536 1 27 VAL MG2 1 28 VAL H 5.000 . 6.000 4.181 4.123 4.270 . 0 0 "[ . 1 . 2 ]" 1
537 1 28 VAL HA 1 29 THR H 4.000 . 4.750 2.720 2.674 2.737 . 0 0 "[ . 1 . 2 ]" 1
538 1 28 VAL HB 1 29 THR H 3.000 . 3.500 2.144 2.084 2.235 . 0 0 "[ . 1 . 2 ]" 1
539 1 28 VAL MG1 1 29 THR H 5.000 . 6.000 3.751 3.695 3.804 . 0 0 "[ . 1 . 2 ]" 1
540 1 28 VAL MG2 1 29 THR H 5.000 . 6.000 2.687 2.388 2.850 . 0 0 "[ . 1 . 2 ]" 1
541 1 29 THR H 1 30 GLU H 5.000 . 6.000 4.480 4.433 4.515 . 0 0 "[ . 1 . 2 ]" 1
542 1 29 THR HA 1 30 GLU H 3.000 . 3.500 2.376 2.305 2.470 . 0 0 "[ . 1 . 2 ]" 1
543 1 29 THR HA 1 30 GLU QB 4.000 . 4.750 4.201 4.072 4.358 . 0 0 "[ . 1 . 2 ]" 1
544 1 29 THR HB 1 30 GLU H 3.000 . 3.500 2.859 2.586 3.046 . 0 0 "[ . 1 . 2 ]" 1
545 1 29 THR HB 1 30 GLU QB 4.000 . 4.750 4.175 3.998 4.275 . 0 0 "[ . 1 . 2 ]" 1
546 1 29 THR MG 1 30 GLU H 5.000 . 6.000 4.043 3.939 4.157 . 0 0 "[ . 1 . 2 ]" 1
547 1 30 GLU H 1 31 SER H 4.000 . 4.750 2.805 2.751 2.836 . 0 0 "[ . 1 . 2 ]" 1
548 1 30 GLU HA 1 31 SER H 3.000 . 3.500 3.492 3.467 3.530 0.030 15 0 "[ . 1 . 2 ]" 1
549 1 30 GLU QB 1 31 SER H 4.000 . 4.750 2.906 2.758 3.035 . 0 0 "[ . 1 . 2 ]" 1
550 1 31 SER H 1 32 LYS H 4.000 . 4.750 2.583 2.429 2.709 . 0 0 "[ . 1 . 2 ]" 1
551 1 31 SER HA 1 32 LYS H 4.000 . 4.750 3.498 3.387 3.546 . 0 0 "[ . 1 . 2 ]" 1
552 1 31 SER QB 1 32 LYS H 4.000 . 4.750 2.925 2.596 3.459 . 0 0 "[ . 1 . 2 ]" 1
553 1 32 LYS H 1 33 MET H 3.000 . 3.500 2.215 2.053 2.396 . 0 0 "[ . 1 . 2 ]" 1
554 1 32 LYS HA 1 33 MET H 4.000 . 4.750 3.465 3.288 3.559 . 0 0 "[ . 1 . 2 ]" 1
555 1 32 LYS QB 1 33 MET H 4.000 . 4.750 2.867 2.584 3.371 . 0 0 "[ . 1 . 2 ]" 1
556 1 33 MET HA 1 34 THR H 5.000 . 6.000 2.234 2.208 2.319 . 0 0 "[ . 1 . 2 ]" 1
557 1 33 MET HA 1 34 THR MG 5.000 . 6.000 3.581 3.303 3.798 . 0 0 "[ . 1 . 2 ]" 1
558 1 33 MET QB 1 34 THR H 4.000 . 4.750 3.386 2.828 3.922 . 0 0 "[ . 1 . 2 ]" 1
559 1 34 THR HA 1 35 SER H 4.000 . 4.750 2.787 2.597 3.175 . 0 0 "[ . 1 . 2 ]" 1
560 1 34 THR HB 1 35 SER H 4.000 . 4.750 3.373 2.260 3.720 . 0 0 "[ . 1 . 2 ]" 1
561 1 34 THR MG 1 35 SER H 5.000 . 6.000 3.050 2.311 3.910 . 0 0 "[ . 1 . 2 ]" 1
562 1 35 SER H 1 36 VAL H 4.000 . 4.750 2.486 2.149 2.593 . 0 0 "[ . 1 . 2 ]" 1
563 1 35 SER HA 1 36 VAL H 5.000 . 6.000 3.501 3.449 3.524 . 0 0 "[ . 1 . 2 ]" 1
564 1 35 SER QB 1 36 VAL H 3.000 . 3.500 2.988 2.787 3.132 . 0 0 "[ . 1 . 2 ]" 1
565 1 36 VAL H 1 37 ALA H 3.000 . 3.500 2.810 2.652 2.968 . 0 0 "[ . 1 . 2 ]" 1
566 1 36 VAL HA 1 37 ALA H 4.000 . 4.750 3.579 3.551 3.597 . 0 0 "[ . 1 . 2 ]" 1
567 1 36 VAL HB 1 37 ALA H 3.000 . 3.500 2.534 2.347 2.777 . 0 0 "[ . 1 . 2 ]" 1
568 1 36 VAL HB 1 37 ALA MB 4.000 . 4.750 3.860 3.627 3.996 . 0 0 "[ . 1 . 2 ]" 1
569 1 36 VAL MG1 1 37 ALA H 4.000 . 4.750 2.878 2.572 3.179 . 0 0 "[ . 1 . 2 ]" 1
570 1 36 VAL MG1 1 37 ALA HA 5.000 . 6.000 3.221 3.015 3.476 . 0 0 "[ . 1 . 2 ]" 1
571 1 36 VAL MG2 1 37 ALA H 5.000 . 6.000 3.973 3.867 4.098 . 0 0 "[ . 1 . 2 ]" 1
572 1 37 ALA H 1 38 ARG H 4.000 . 4.750 2.552 2.470 2.670 . 0 0 "[ . 1 . 2 ]" 1
573 1 37 ALA HA 1 38 ARG H 4.000 . 4.750 3.550 3.523 3.581 . 0 0 "[ . 1 . 2 ]" 1
574 1 37 ALA MB 1 38 ARG H 5.000 . 6.000 2.550 2.359 2.702 . 0 0 "[ . 1 . 2 ]" 1
575 1 38 ARG H 1 39 LYS H 4.000 . 4.750 2.668 2.511 2.806 . 0 0 "[ . 1 . 2 ]" 1
576 1 38 ARG HA 1 39 LYS H 4.000 . 4.750 3.523 3.459 3.572 . 0 0 "[ . 1 . 2 ]" 1
577 1 38 ARG QB 1 39 LYS H 3.000 . 3.500 2.760 2.364 2.973 . 0 0 "[ . 1 . 2 ]" 1
578 1 39 LYS H 1 40 SER H 4.000 . 4.750 2.540 2.370 2.664 . 0 0 "[ . 1 . 2 ]" 1
579 1 39 LYS HA 1 40 SER H 5.000 . 6.000 3.492 3.406 3.522 . 0 0 "[ . 1 . 2 ]" 1
580 1 41 LYS HA 1 42 PRO QD 2.500 . 2.800 1.890 1.814 1.966 . 0 0 "[ . 1 . 2 ]" 1
581 1 41 LYS HG3 1 42 PRO QD 4.000 . 4.750 2.642 2.019 3.934 . 0 0 "[ . 1 . 2 ]" 1
582 1 41 LYS HG2 1 42 PRO QD 4.000 . 4.750 2.342 1.825 3.334 . 0 0 "[ . 1 . 2 ]" 1
583 1 42 PRO HA 1 43 LYS H 2.500 . 2.800 2.267 2.226 2.327 . 0 0 "[ . 1 . 2 ]" 1
584 1 42 PRO QB 1 43 LYS H 3.000 . 3.500 3.077 2.884 3.154 . 0 0 "[ . 1 . 2 ]" 1
585 1 42 PRO QG 1 43 LYS H 5.000 . 6.000 4.556 4.415 4.637 . 0 0 "[ . 1 . 2 ]" 1
586 1 43 LYS H 1 44 ARG H 4.000 . 4.750 2.629 2.301 3.496 . 0 0 "[ . 1 . 2 ]" 1
587 1 43 LYS HA 1 44 ARG H 3.000 . 3.500 2.985 2.531 3.317 . 0 0 "[ . 1 . 2 ]" 1
588 1 43 LYS QB 1 44 ARG H 4.000 . 4.750 3.818 3.373 4.068 . 0 0 "[ . 1 . 2 ]" 1
589 1 43 LYS QG 1 44 ARG H 5.000 . 6.000 3.934 2.402 4.484 . 0 0 "[ . 1 . 2 ]" 1
590 1 44 ARG HA 1 45 ALA H 3.000 . 3.500 2.532 2.514 2.556 . 0 0 "[ . 1 . 2 ]" 1
591 1 44 ARG HA 1 45 ALA MB 5.000 . 6.000 4.094 3.829 4.195 . 0 0 "[ . 1 . 2 ]" 1
592 1 44 ARG QB 1 45 ALA H 3.000 . 3.500 2.476 2.178 3.003 . 0 0 "[ . 1 . 2 ]" 1
593 1 45 ALA H 1 46 GLY H 4.000 . 4.750 4.653 4.561 4.681 . 0 0 "[ . 1 . 2 ]" 1
594 1 45 ALA HA 1 46 GLY H 2.500 . 2.800 2.290 2.265 2.309 . 0 0 "[ . 1 . 2 ]" 1
595 1 45 ALA MB 1 46 GLY H 3.000 . 3.500 2.895 2.845 2.944 . 0 0 "[ . 1 . 2 ]" 1
596 1 45 ALA MB 1 46 GLY QA 5.000 . 6.000 3.642 3.568 3.678 . 0 0 "[ . 1 . 2 ]" 1
597 1 46 GLY H 1 47 THR H 4.000 . 4.750 4.070 3.875 4.385 . 0 0 "[ . 1 . 2 ]" 1
598 1 46 GLY QA 1 47 THR H 3.000 . 3.500 2.213 2.171 2.316 . 0 0 "[ . 1 . 2 ]" 1
599 1 47 THR H 1 48 PHE H 4.000 . 4.750 4.430 4.274 4.638 . 0 0 "[ . 1 . 2 ]" 1
600 1 47 THR H 1 48 PHE QE 5.000 . 6.000 4.983 4.216 5.266 . 0 0 "[ . 1 . 2 ]" 1
601 1 47 THR HA 1 48 PHE H 2.500 . 2.800 2.208 2.175 2.257 . 0 0 "[ . 1 . 2 ]" 1
602 1 47 THR HA 1 48 PHE QD 3.000 . 3.500 3.168 3.135 3.213 . 0 0 "[ . 1 . 2 ]" 1
603 1 47 THR HB 1 48 PHE H 4.000 . 4.750 4.311 4.133 4.479 . 0 0 "[ . 1 . 2 ]" 1
604 1 47 THR MG 1 48 PHE H 4.000 . 4.750 3.042 2.366 3.352 . 0 0 "[ . 1 . 2 ]" 1
605 1 48 PHE H 1 49 TYR H 5.000 . 6.000 4.580 4.365 4.637 . 0 0 "[ . 1 . 2 ]" 1
606 1 48 PHE HA 1 49 TYR H 3.000 . 3.500 2.258 2.217 2.319 . 0 0 "[ . 1 . 2 ]" 1
607 1 48 PHE HA 1 49 TYR QD 4.000 . 4.750 3.636 3.151 3.956 . 0 0 "[ . 1 . 2 ]" 1
608 1 48 PHE HB3 1 49 TYR H 4.000 . 4.750 3.136 2.853 3.413 . 0 0 "[ . 1 . 2 ]" 1
609 1 48 PHE HB2 1 49 TYR H 4.000 . 4.750 4.172 4.001 4.350 . 0 0 "[ . 1 . 2 ]" 1
610 1 48 PHE QD 1 49 TYR H 4.000 . 4.750 4.092 3.919 4.263 . 0 0 "[ . 1 . 2 ]" 1
611 1 49 TYR H 1 50 PRO QD 5.000 . 6.000 4.194 4.091 4.266 . 0 0 "[ . 1 . 2 ]" 1
612 1 49 TYR HA 1 50 PRO HG3 4.000 . 4.750 4.378 4.315 4.411 . 0 0 "[ . 1 . 2 ]" 1
613 1 49 TYR HA 1 50 PRO HG2 5.000 . 6.000 4.274 4.166 4.343 . 0 0 "[ . 1 . 2 ]" 1
614 1 49 TYR HA 1 50 PRO QD 4.000 . 4.750 1.949 1.890 1.970 . 0 0 "[ . 1 . 2 ]" 1
615 1 49 TYR HB3 1 50 PRO QD 4.000 . 4.750 3.288 3.032 3.504 . 0 0 "[ . 1 . 2 ]" 1
616 1 49 TYR HB2 1 50 PRO QD 4.000 . 4.750 4.217 4.081 4.301 . 0 0 "[ . 1 . 2 ]" 1
617 1 49 TYR QD 1 50 PRO QD 4.000 . 4.750 3.423 3.234 3.723 . 0 0 "[ . 1 . 2 ]" 1
618 1 50 PRO HA 1 51 VAL H 3.000 . 3.500 2.258 2.248 2.269 . 0 0 "[ . 1 . 2 ]" 1
619 1 50 PRO HB3 1 51 VAL H 4.000 . 4.750 4.263 4.245 4.278 . 0 0 "[ . 1 . 2 ]" 1
620 1 50 PRO HB2 1 51 VAL H 4.000 . 4.750 3.781 3.760 3.806 . 0 0 "[ . 1 . 2 ]" 1
621 1 51 VAL H 1 52 ILE H 5.000 . 6.000 4.527 4.508 4.545 . 0 0 "[ . 1 . 2 ]" 1
622 1 51 VAL HA 1 52 ILE H 3.000 . 3.500 2.425 2.393 2.470 . 0 0 "[ . 1 . 2 ]" 1
623 1 51 VAL HA 1 52 ILE HB 5.000 . 6.000 4.548 4.487 4.608 . 0 0 "[ . 1 . 2 ]" 1
624 1 51 VAL HB 1 52 ILE H 3.000 . 3.500 2.700 2.617 2.853 . 0 0 "[ . 1 . 2 ]" 1
625 1 52 ILE HA 1 53 PHE H 3.000 . 3.500 2.214 2.205 2.226 . 0 0 "[ . 1 . 2 ]" 1
626 1 52 ILE HA 1 53 PHE QD 5.000 . 6.000 3.736 3.631 3.796 . 0 0 "[ . 1 . 2 ]" 1
627 1 52 ILE HB 1 53 PHE H 4.000 . 4.750 4.282 4.243 4.344 . 0 0 "[ . 1 . 2 ]" 1
628 1 52 ILE MG 1 53 PHE H 5.000 . 6.000 4.095 4.036 4.151 . 0 0 "[ . 1 . 2 ]" 1
629 1 52 ILE MD 1 53 PHE H 4.000 . 4.750 2.984 2.770 3.254 . 0 0 "[ . 1 . 2 ]" 1
630 1 52 ILE QG 1 53 PHE H 4.000 . 4.750 2.888 2.686 3.031 . 0 0 "[ . 1 . 2 ]" 1
631 1 53 PHE HA 1 54 PHE H 3.000 . 3.500 2.234 2.211 2.263 . 0 0 "[ . 1 . 2 ]" 1
632 1 53 PHE HA 1 54 PHE QD 5.000 . 6.000 4.088 3.770 4.534 . 0 0 "[ . 1 . 2 ]" 1
633 1 53 PHE QB 1 54 PHE H 4.000 . 4.750 3.219 3.137 3.295 . 0 0 "[ . 1 . 2 ]" 1
634 1 53 PHE QD 1 54 PHE H 4.000 . 4.750 3.974 3.823 4.049 . 0 0 "[ . 1 . 2 ]" 1
635 1 54 PHE H 1 55 PRO HA 5.000 . 6.000 4.572 4.484 4.602 . 0 0 "[ . 1 . 2 ]" 1
636 1 54 PHE HA 1 55 PRO HA 4.000 . 4.750 1.854 1.775 2.102 0.025 21 0 "[ . 1 . 2 ]" 1
637 1 54 PHE HB3 1 55 PRO HA 4.000 . 4.750 2.559 1.999 2.778 . 0 0 "[ . 1 . 2 ]" 1
638 1 54 PHE HB2 1 55 PRO HA 4.000 . 4.750 3.880 3.503 4.026 . 0 0 "[ . 1 . 2 ]" 1
639 1 54 PHE QD 1 55 PRO HA 4.000 . 4.750 2.376 2.125 2.619 . 0 0 "[ . 1 . 2 ]" 1
640 1 55 PRO HA 1 56 ASN H 5.000 . 6.000 2.984 2.864 3.412 . 0 0 "[ . 1 . 2 ]" 1
641 1 55 PRO HD3 1 56 ASN H 5.000 . 6.000 5.023 3.440 5.393 . 0 0 "[ . 1 . 2 ]" 1
642 1 55 PRO HD2 1 56 ASN H 4.000 . 4.750 4.119 2.058 4.635 . 0 0 "[ . 1 . 2 ]" 1
643 1 55 PRO QB 1 56 ASN H 5.000 . 6.000 2.121 1.764 3.760 0.036 9 0 "[ . 1 . 2 ]" 1
644 1 55 PRO QG 1 56 ASN H 4.000 . 4.750 3.464 3.252 3.682 . 0 0 "[ . 1 . 2 ]" 1
645 1 56 ASN H 1 57 LYS H 3.000 . 3.500 2.792 2.667 3.215 . 0 0 "[ . 1 . 2 ]" 1
646 1 56 ASN H 1 57 LYS HA 5.000 . 6.000 5.088 4.988 5.161 . 0 0 "[ . 1 . 2 ]" 1
647 1 56 ASN HA 1 57 LYS H 5.000 . 6.000 3.122 2.935 3.327 . 0 0 "[ . 1 . 2 ]" 1
648 1 56 ASN HB3 1 57 LYS H 4.000 . 4.750 4.323 4.026 4.493 . 0 0 "[ . 1 . 2 ]" 1
649 1 56 ASN HB2 1 57 LYS H 5.000 . 6.000 3.900 3.523 4.187 . 0 0 "[ . 1 . 2 ]" 1
650 1 57 LYS H 1 58 GLU H 3.000 . 3.500 3.173 2.935 3.523 0.023 1 0 "[ . 1 . 2 ]" 1
651 1 57 LYS HA 1 58 GLU H 3.000 . 3.500 2.815 2.344 3.034 . 0 0 "[ . 1 . 2 ]" 1
652 1 57 LYS QB 1 58 GLU H 4.000 . 4.750 4.020 3.736 4.110 . 0 0 "[ . 1 . 2 ]" 1
653 1 57 LYS QG 1 58 GLU H 5.000 . 6.000 3.920 3.504 4.422 . 0 0 "[ . 1 . 2 ]" 1
654 1 58 GLU H 1 59 TYR H 5.000 . 6.000 4.617 4.435 4.682 . 0 0 "[ . 1 . 2 ]" 1
655 1 58 GLU HA 1 59 TYR H 2.500 . 2.800 2.640 2.496 2.773 . 0 0 "[ . 1 . 2 ]" 1
656 1 58 GLU HA 1 59 TYR QD 4.000 . 4.750 3.225 2.709 3.650 . 0 0 "[ . 1 . 2 ]" 1
657 1 58 GLU HA 1 59 TYR QE 5.000 . 6.000 3.901 3.607 4.465 . 0 0 "[ . 1 . 2 ]" 1
658 1 58 GLU QB 1 59 TYR H 3.000 . 3.500 2.393 2.035 2.758 . 0 0 "[ . 1 . 2 ]" 1
659 1 58 GLU QG 1 59 TYR H 4.000 . 4.750 3.163 2.463 3.983 . 0 0 "[ . 1 . 2 ]" 1
660 1 59 TYR H 1 60 LEU H 5.000 . 6.000 4.267 4.215 4.366 . 0 0 "[ . 1 . 2 ]" 1
661 1 59 TYR HA 1 60 LEU H 3.000 . 3.500 2.222 2.202 2.243 . 0 0 "[ . 1 . 2 ]" 1
662 1 59 TYR HB3 1 60 LEU H 3.000 . 3.500 3.472 3.287 3.516 0.016 22 0 "[ . 1 . 2 ]" 1
663 1 59 TYR HB2 1 60 LEU H 4.000 . 4.750 4.275 4.155 4.337 . 0 0 "[ . 1 . 2 ]" 1
664 1 59 TYR QD 1 60 LEU H 5.000 . 6.000 4.191 3.986 4.360 . 0 0 "[ . 1 . 2 ]" 1
665 1 60 LEU HA 1 61 TRP H 3.000 . 3.500 2.259 2.241 2.278 . 0 0 "[ . 1 . 2 ]" 1
666 1 60 LEU HA 1 61 TRP HB2 5.000 . 6.000 4.362 4.330 4.407 . 0 0 "[ . 1 . 2 ]" 1
667 1 60 LEU HA 1 61 TRP HD1 4.000 . 4.750 3.438 3.307 3.543 . 0 0 "[ . 1 . 2 ]" 1
668 1 60 LEU HB2 1 61 TRP H 4.000 . 4.750 4.079 4.037 4.129 . 0 0 "[ . 1 . 2 ]" 1
669 1 60 LEU HG 1 61 TRP HD1 4.000 . 4.750 4.709 4.551 4.787 0.037 15 0 "[ . 1 . 2 ]" 1
670 1 60 LEU MD1 1 61 TRP H 4.000 . 4.750 3.200 3.060 3.355 . 0 0 "[ . 1 . 2 ]" 1
671 1 60 LEU MD1 1 61 TRP HD1 5.000 . 6.000 4.984 4.858 5.026 . 0 0 "[ . 1 . 2 ]" 1
672 1 61 TRP H 1 62 THR H 5.000 . 6.000 4.163 4.024 4.263 . 0 0 "[ . 1 . 2 ]" 1
673 1 61 TRP HA 1 62 THR H 3.000 . 3.500 2.282 2.243 2.321 . 0 0 "[ . 1 . 2 ]" 1
674 1 61 TRP HA 1 62 THR MG 5.000 . 6.000 3.768 3.654 3.894 . 0 0 "[ . 1 . 2 ]" 1
675 1 61 TRP HB3 1 62 THR H 4.000 . 4.750 3.982 3.894 4.086 . 0 0 "[ . 1 . 2 ]" 1
676 1 61 TRP HB2 1 62 THR H 4.000 . 4.750 4.525 4.498 4.544 . 0 0 "[ . 1 . 2 ]" 1
677 1 61 TRP HE3 1 62 THR H 4.000 . 4.750 4.644 4.464 4.768 0.018 9 0 "[ . 1 . 2 ]" 1
678 1 62 THR HA 1 63 GLY H 3.000 . 3.500 2.267 2.240 2.306 . 0 0 "[ . 1 . 2 ]" 1
679 1 62 THR HB 1 63 GLY H 4.000 . 4.750 4.164 4.104 4.221 . 0 0 "[ . 1 . 2 ]" 1
680 1 62 THR MG 1 63 GLY H 4.000 . 4.750 3.892 3.765 3.976 . 0 0 "[ . 1 . 2 ]" 1
681 1 63 GLY H 1 64 SER H 4.000 . 4.750 4.647 4.608 4.666 . 0 0 "[ . 1 . 2 ]" 1
682 1 63 GLY HA3 1 64 SER H 3.000 . 3.500 2.428 2.315 2.571 . 0 0 "[ . 1 . 2 ]" 1
683 1 63 GLY HA2 1 64 SER H 4.000 . 4.750 2.803 2.642 2.962 . 0 0 "[ . 1 . 2 ]" 1
684 1 64 SER H 1 65 ASP H 3.000 . 3.500 2.715 2.551 2.823 . 0 0 "[ . 1 . 2 ]" 1
685 1 64 SER HA 1 65 ASP H 3.000 . 3.500 3.508 3.486 3.527 0.027 12 0 "[ . 1 . 2 ]" 1
686 1 64 SER QB 1 65 ASP H 4.000 . 4.750 3.227 2.717 3.553 . 0 0 "[ . 1 . 2 ]" 1
687 1 65 ASP H 1 66 SER H 3.000 . 3.500 3.000 2.933 3.034 . 0 0 "[ . 1 . 2 ]" 1
688 1 65 ASP HA 1 66 SER H 4.000 . 4.750 3.596 3.589 3.604 . 0 0 "[ . 1 . 2 ]" 1
689 1 65 ASP QB 1 66 SER H 4.000 . 4.750 2.368 2.112 3.237 . 0 0 "[ . 1 . 2 ]" 1
690 1 66 SER H 1 67 LEU H 3.000 . 3.500 2.664 2.557 2.725 . 0 0 "[ . 1 . 2 ]" 1
691 1 66 SER H 1 67 LEU HB2 4.000 . 4.750 4.080 3.906 4.214 . 0 0 "[ . 1 . 2 ]" 1
692 1 66 SER H 1 67 LEU HG 4.000 . 4.750 4.622 4.368 4.777 0.027 20 0 "[ . 1 . 2 ]" 1
693 1 66 SER H 1 67 LEU MD1 5.000 . 6.000 4.870 4.582 5.025 . 0 0 "[ . 1 . 2 ]" 1
694 1 66 SER HA 1 67 LEU H 4.000 . 4.750 3.217 3.206 3.228 . 0 0 "[ . 1 . 2 ]" 1
695 1 67 LEU H 1 68 THR H 5.000 . 6.000 4.494 4.449 4.571 . 0 0 "[ . 1 . 2 ]" 1
696 1 67 LEU HA 1 68 THR H 3.000 . 3.500 2.204 2.186 2.237 . 0 0 "[ . 1 . 2 ]" 1
697 1 67 LEU HA 1 68 THR MG 5.000 . 6.000 3.874 3.673 4.041 . 0 0 "[ . 1 . 2 ]" 1
698 1 67 LEU HB3 1 68 THR H 3.000 . 3.500 3.445 3.242 3.527 0.027 9 0 "[ . 1 . 2 ]" 1
699 1 67 LEU HB2 1 68 THR H 4.000 . 4.750 4.436 4.328 4.474 . 0 0 "[ . 1 . 2 ]" 1
700 1 67 LEU MD1 1 68 THR H 5.000 . 6.000 4.866 4.654 4.998 . 0 0 "[ . 1 . 2 ]" 1
701 1 67 LEU MD2 1 68 THR H 4.000 . 4.750 2.704 2.322 2.878 . 0 0 "[ . 1 . 2 ]" 1
702 1 68 THR HA 1 69 PRO HD3 4.000 . 4.750 2.273 2.184 2.329 . 0 0 "[ . 1 . 2 ]" 1
703 1 68 THR HA 1 69 PRO HD2 4.000 . 4.750 2.456 2.360 2.534 . 0 0 "[ . 1 . 2 ]" 1
704 1 68 THR HA 1 69 PRO QB 5.000 . 6.000 4.605 4.584 4.621 . 0 0 "[ . 1 . 2 ]" 1
705 1 68 THR HA 1 69 PRO QG 5.000 . 6.000 4.012 3.988 4.045 . 0 0 "[ . 1 . 2 ]" 1
706 1 68 THR MG 1 69 PRO HD3 5.000 . 6.000 4.290 4.178 4.487 . 0 0 "[ . 1 . 2 ]" 1
707 1 68 THR MG 1 69 PRO HD2 5.000 . 6.000 3.369 3.227 3.607 . 0 0 "[ . 1 . 2 ]" 1
708 1 69 PRO HA 1 70 LEU H 3.000 . 3.500 2.216 2.193 2.252 . 0 0 "[ . 1 . 2 ]" 1
709 1 69 PRO HD3 1 70 LEU H 5.000 . 6.000 5.611 5.508 5.665 . 0 0 "[ . 1 . 2 ]" 1
710 1 69 PRO QB 1 70 LEU H 4.000 . 4.750 3.350 3.195 3.517 . 0 0 "[ . 1 . 2 ]" 1
711 1 70 LEU H 1 71 THR H 5.000 . 6.000 4.362 3.985 4.563 . 0 0 "[ . 1 . 2 ]" 1
712 1 70 LEU HA 1 71 THR H 3.000 . 3.500 2.251 2.214 2.296 . 0 0 "[ . 1 . 2 ]" 1
713 1 70 LEU HG 1 71 THR H 5.000 . 6.000 3.235 2.480 3.618 . 0 0 "[ . 1 . 2 ]" 1
714 1 70 LEU MD1 1 71 THR H 4.000 . 4.750 2.757 1.892 3.937 . 0 0 "[ . 1 . 2 ]" 1
715 1 70 LEU MD2 1 71 THR H 5.000 . 6.000 4.628 4.143 5.002 . 0 0 "[ . 1 . 2 ]" 1
716 1 70 LEU QB 1 71 THR H 4.000 . 4.750 3.860 3.653 4.044 . 0 0 "[ . 1 . 2 ]" 1
717 1 71 THR H 1 72 SER H 5.000 . 6.000 4.596 4.525 4.659 . 0 0 "[ . 1 . 2 ]" 1
718 1 71 THR HA 1 72 SER H 3.000 . 3.500 2.386 2.307 2.459 . 0 0 "[ . 1 . 2 ]" 1
719 1 71 THR HA 1 72 SER QB 5.000 . 6.000 4.342 4.094 4.883 . 0 0 "[ . 1 . 2 ]" 1
720 1 71 THR HB 1 72 SER H 4.000 . 4.750 2.739 2.600 2.942 . 0 0 "[ . 1 . 2 ]" 1
721 1 71 THR MG 1 72 SER H 4.000 . 4.750 3.976 3.956 3.995 . 0 0 "[ . 1 . 2 ]" 1
722 1 72 SER H 1 73 GLU H 3.000 . 3.500 2.634 2.528 2.693 . 0 0 "[ . 1 . 2 ]" 1
723 1 72 SER HA 1 73 GLU H 3.000 . 3.500 3.536 3.505 3.560 0.060 20 0 "[ . 1 . 2 ]" 1
724 1 72 SER QB 1 73 GLU H 3.000 . 3.500 2.792 2.511 3.097 . 0 0 "[ . 1 . 2 ]" 1
725 1 73 GLU H 1 74 ALA H 3.000 . 3.500 2.762 2.652 2.826 . 0 0 "[ . 1 . 2 ]" 1
726 1 73 GLU H 1 74 ALA MB 5.000 . 6.000 4.271 4.133 4.343 . 0 0 "[ . 1 . 2 ]" 1
727 1 73 GLU HA 1 74 ALA H 3.000 . 3.500 3.568 3.553 3.580 0.080 17 0 "[ . 1 . 2 ]" 1
728 1 73 GLU QB 1 74 ALA H 3.000 . 3.500 2.350 2.167 2.586 . 0 0 "[ . 1 . 2 ]" 1
729 1 73 GLU QG 1 74 ALA H 4.000 . 4.750 3.952 3.132 4.273 . 0 0 "[ . 1 . 2 ]" 1
730 1 74 ALA HA 1 75 ILE H 3.000 . 3.500 3.552 3.514 3.571 0.071 14 0 "[ . 1 . 2 ]" 1
731 1 74 ALA MB 1 75 ILE H 3.000 . 3.500 2.432 2.299 2.545 . 0 0 "[ . 1 . 2 ]" 1
732 1 74 ALA MB 1 75 ILE HA 4.000 . 4.750 3.817 3.711 3.868 . 0 0 "[ . 1 . 2 ]" 1
733 1 74 ALA MB 1 75 ILE MD 5.000 . 6.000 4.110 3.945 4.181 . 0 0 "[ . 1 . 2 ]" 1
734 1 75 ILE H 1 76 SER H 3.000 . 3.500 2.861 2.788 2.922 . 0 0 "[ . 1 . 2 ]" 1
735 1 75 ILE HA 1 76 SER H 5.000 . 6.000 3.590 3.583 3.612 . 0 0 "[ . 1 . 2 ]" 1
736 1 75 ILE HB 1 76 SER H 3.000 . 3.500 2.373 2.240 2.867 . 0 0 "[ . 1 . 2 ]" 1
737 1 75 ILE MG 1 76 SER H 5.000 . 6.000 2.895 2.192 3.272 . 0 0 "[ . 1 . 2 ]" 1
738 1 75 ILE MG 1 76 SER HA 4.000 . 4.750 3.230 2.978 3.569 . 0 0 "[ . 1 . 2 ]" 1
739 1 75 ILE MD 1 76 SER H 5.000 . 6.000 4.178 4.022 4.482 . 0 0 "[ . 1 . 2 ]" 1
740 1 75 ILE QG 1 76 SER H 5.000 . 6.000 4.097 3.924 4.264 . 0 0 "[ . 1 . 2 ]" 1
741 1 76 SER H 1 77 GLN H 3.000 . 3.500 2.752 2.586 2.828 . 0 0 "[ . 1 . 2 ]" 1
742 1 76 SER HA 1 77 GLN H 4.000 . 4.750 3.573 3.562 3.588 . 0 0 "[ . 1 . 2 ]" 1
743 1 77 GLN H 1 78 PHE H 3.000 . 3.500 2.785 2.660 2.856 . 0 0 "[ . 1 . 2 ]" 1
744 1 77 GLN HA 1 78 PHE H 4.000 . 4.750 3.569 3.511 3.589 . 0 0 "[ . 1 . 2 ]" 1
745 1 77 GLN QB 1 78 PHE H 3.000 . 3.500 2.639 2.350 3.144 . 0 0 "[ . 1 . 2 ]" 1
746 1 77 GLN QG 1 78 PHE H 5.000 . 6.000 3.646 1.843 4.391 . 0 0 "[ . 1 . 2 ]" 1
747 1 78 PHE H 1 79 LEU H 3.000 . 3.500 2.694 2.620 2.753 . 0 0 "[ . 1 . 2 ]" 1
748 1 78 PHE H 1 79 LEU HA 5.000 . 6.000 5.341 5.280 5.391 . 0 0 "[ . 1 . 2 ]" 1
749 1 78 PHE HA 1 79 LEU H 4.000 . 4.750 3.583 3.571 3.622 . 0 0 "[ . 1 . 2 ]" 1
750 1 78 PHE HB3 1 79 LEU H 4.000 . 4.750 2.539 2.486 2.585 . 0 0 "[ . 1 . 2 ]" 1
751 1 78 PHE HB2 1 79 LEU H 4.000 . 4.750 3.932 3.894 3.966 . 0 0 "[ . 1 . 2 ]" 1
752 1 78 PHE HB2 1 79 LEU MD2 5.000 . 6.000 5.018 4.697 5.077 . 0 0 "[ . 1 . 2 ]" 1
753 1 78 PHE QD 1 79 LEU H 5.000 . 6.000 2.616 2.504 2.688 . 0 0 "[ . 1 . 2 ]" 1
754 1 78 PHE QD 1 79 LEU MD2 5.000 . 6.000 1.816 1.698 1.850 0.102 17 0 "[ . 1 . 2 ]" 1
755 1 79 LEU H 1 80 GLU H 3.000 . 3.500 2.875 2.752 2.900 . 0 0 "[ . 1 . 2 ]" 1
756 1 79 LEU HA 1 80 GLU H 4.000 . 4.750 3.580 3.541 3.589 . 0 0 "[ . 1 . 2 ]" 1
757 1 79 LEU HB3 1 80 GLU H 3.000 . 3.500 3.533 3.511 3.576 0.076 19 0 "[ . 1 . 2 ]" 1
758 1 79 LEU HB2 1 80 GLU H 4.000 . 4.750 2.389 2.354 2.454 . 0 0 "[ . 1 . 2 ]" 1
759 1 79 LEU HG 1 80 GLU H 4.000 . 4.750 4.099 3.996 4.156 . 0 0 "[ . 1 . 2 ]" 1
760 1 79 LEU MD1 1 80 GLU H 5.000 . 6.000 4.441 4.335 4.664 . 0 0 "[ . 1 . 2 ]" 1
761 1 79 LEU MD2 1 80 GLU H 5.000 . 6.000 4.470 4.309 4.527 . 0 0 "[ . 1 . 2 ]" 1
762 1 80 GLU H 1 81 LYS H 3.000 . 3.500 2.648 2.632 2.670 . 0 0 "[ . 1 . 2 ]" 1
763 1 80 GLU HA 1 81 LYS H 3.000 . 3.500 3.550 3.545 3.556 0.056 21 0 "[ . 1 . 2 ]" 1
764 1 80 GLU QB 1 81 LYS H 3.000 . 3.500 2.611 2.365 3.144 . 0 0 "[ . 1 . 2 ]" 1
765 1 80 GLU QG 1 81 LYS H 4.000 . 4.750 3.377 2.031 4.009 . 0 0 "[ . 1 . 2 ]" 1
766 1 81 LYS H 1 82 PRO QD 4.000 . 4.750 3.717 3.701 3.739 . 0 0 "[ . 1 . 2 ]" 1
767 1 81 LYS HA 1 82 PRO QD 3.000 . 3.500 1.862 1.845 1.898 . 0 0 "[ . 1 . 2 ]" 1
768 1 82 PRO HA 1 83 LYS H 2.500 . 2.800 2.303 2.272 2.350 . 0 0 "[ . 1 . 2 ]" 1
769 1 82 PRO HB3 1 83 LYS H 4.000 . 4.750 3.855 3.810 3.905 . 0 0 "[ . 1 . 2 ]" 1
770 1 82 PRO HB2 1 83 LYS H 4.000 . 4.750 3.234 3.135 3.318 . 0 0 "[ . 1 . 2 ]" 1
771 1 84 PRO HA 1 85 LYS H 4.000 . 4.750 2.837 2.688 2.902 . 0 0 "[ . 1 . 2 ]" 1
772 1 84 PRO HB3 1 85 LYS H 3.000 . 3.500 3.266 3.223 3.356 . 0 0 "[ . 1 . 2 ]" 1
773 1 84 PRO HB2 1 85 LYS H 4.000 . 4.750 1.947 1.843 2.219 . 0 0 "[ . 1 . 2 ]" 1
774 1 84 PRO HG3 1 85 LYS H 5.000 . 6.000 4.551 4.447 4.794 . 0 0 "[ . 1 . 2 ]" 1
775 1 84 PRO HG2 1 85 LYS H 4.000 . 4.750 3.741 3.606 4.045 . 0 0 "[ . 1 . 2 ]" 1
776 1 85 LYS H 1 86 THR H 4.000 . 4.750 3.957 3.906 4.010 . 0 0 "[ . 1 . 2 ]" 1
777 1 85 LYS HA 1 86 THR H 2.500 . 2.800 2.379 2.332 2.399 . 0 0 "[ . 1 . 2 ]" 1
778 1 85 LYS QB 1 86 THR H 4.000 . 4.750 4.021 3.900 4.057 . 0 0 "[ . 1 . 2 ]" 1
779 1 85 LYS QG 1 86 THR H 4.000 . 4.750 3.988 3.819 4.354 . 0 0 "[ . 1 . 2 ]" 1
780 1 85 LYS QD 1 86 THR H 4.000 . 4.750 3.838 3.253 4.248 . 0 0 "[ . 1 . 2 ]" 1
781 1 86 THR H 1 87 ALA H 5.000 . 6.000 4.219 4.167 4.377 . 0 0 "[ . 1 . 2 ]" 1
782 1 86 THR HA 1 87 ALA H 3.000 . 3.500 2.225 2.198 2.248 . 0 0 "[ . 1 . 2 ]" 1
783 1 86 THR HA 1 87 ALA MB 5.000 . 6.000 3.939 3.872 3.992 . 0 0 "[ . 1 . 2 ]" 1
784 1 86 THR HB 1 87 ALA H 5.000 . 6.000 4.273 4.052 4.349 . 0 0 "[ . 1 . 2 ]" 1
785 1 86 THR MG 1 87 ALA H 5.000 . 6.000 4.363 4.324 4.470 . 0 0 "[ . 1 . 2 ]" 1
786 1 87 ALA H 1 88 SER H 5.000 . 6.000 2.865 2.799 2.956 . 0 0 "[ . 1 . 2 ]" 1
787 1 87 ALA HA 1 88 SER H 4.000 . 4.750 3.544 3.507 3.582 . 0 0 "[ . 1 . 2 ]" 1
788 1 87 ALA MB 1 88 SER H 4.000 . 4.750 2.668 2.374 2.836 . 0 0 "[ . 1 . 2 ]" 1
789 1 88 SER H 1 89 LEU H 4.000 . 4.750 2.738 2.596 2.866 . 0 0 "[ . 1 . 2 ]" 1
790 1 88 SER HA 1 89 LEU H 5.000 . 6.000 3.597 3.566 3.604 . 0 0 "[ . 1 . 2 ]" 1
791 1 88 SER QB 1 89 LEU H 3.000 . 3.500 2.474 2.303 2.802 . 0 0 "[ . 1 . 2 ]" 1
792 1 89 LEU H 1 90 ILE H 3.000 . 3.500 2.704 2.448 2.846 . 0 0 "[ . 1 . 2 ]" 1
793 1 89 LEU H 1 90 ILE QG 4.000 . 4.750 3.919 3.633 4.073 . 0 0 "[ . 1 . 2 ]" 1
794 1 89 LEU HA 1 90 ILE H 4.000 . 4.750 3.572 3.532 3.591 . 0 0 "[ . 1 . 2 ]" 1
795 1 89 LEU QB 1 90 ILE H 3.000 . 3.500 2.305 2.139 2.516 . 0 0 "[ . 1 . 2 ]" 1
796 1 89 LEU HG 1 90 ILE H 5.000 . 6.000 3.743 3.594 3.911 . 0 0 "[ . 1 . 2 ]" 1
797 1 89 LEU MD1 1 90 ILE H 5.000 . 6.000 4.647 4.554 4.777 . 0 0 "[ . 1 . 2 ]" 1
798 1 89 LEU MD2 1 90 ILE H 4.000 . 4.750 3.273 3.070 3.554 . 0 0 "[ . 1 . 2 ]" 1
799 1 89 LEU MD2 1 90 ILE HA 4.000 . 4.750 3.512 3.262 3.701 . 0 0 "[ . 1 . 2 ]" 1
800 1 90 ILE H 1 91 LYS H 3.000 . 3.500 2.739 2.615 2.825 . 0 0 "[ . 1 . 2 ]" 1
801 1 90 ILE HA 1 91 LYS H 3.000 . 3.500 3.548 3.531 3.561 0.061 1 0 "[ . 1 . 2 ]" 1
802 1 90 ILE HB 1 91 LYS H 3.000 . 3.500 2.592 2.517 2.686 . 0 0 "[ . 1 . 2 ]" 1
803 1 90 ILE MG 1 91 LYS H 4.000 . 4.750 3.619 3.524 3.707 . 0 0 "[ . 1 . 2 ]" 1
804 1 90 ILE MG 1 91 LYS HA 4.000 . 4.750 3.804 3.653 3.943 . 0 0 "[ . 1 . 2 ]" 1
805 1 90 ILE MD 1 91 LYS H 5.000 . 6.000 4.557 4.438 4.651 . 0 0 "[ . 1 . 2 ]" 1
806 1 90 ILE QG 1 91 LYS H 4.000 . 4.750 3.852 3.801 3.950 . 0 0 "[ . 1 . 2 ]" 1
807 1 91 LYS H 1 92 ALA H 3.000 . 3.500 2.386 2.352 2.444 . 0 0 "[ . 1 . 2 ]" 1
808 1 91 LYS H 1 92 ALA HA 5.000 . 6.000 5.082 5.052 5.132 . 0 0 "[ . 1 . 2 ]" 1
809 1 91 LYS H 1 92 ALA MB 4.000 . 4.750 3.952 3.908 3.975 . 0 0 "[ . 1 . 2 ]" 1
810 1 91 LYS HA 1 92 ALA H 3.000 . 3.500 3.485 3.477 3.502 0.002 6 0 "[ . 1 . 2 ]" 1
811 1 91 LYS QB 1 92 ALA H 4.000 . 4.750 2.895 2.763 3.537 . 0 0 "[ . 1 . 2 ]" 1
812 1 92 ALA H 1 93 TYR H 3.000 . 3.500 2.662 2.603 2.751 . 0 0 "[ . 1 . 2 ]" 1
813 1 92 ALA HA 1 93 TYR H 5.000 . 6.000 3.569 3.549 3.583 . 0 0 "[ . 1 . 2 ]" 1
814 1 92 ALA MB 1 93 TYR H 4.000 . 4.750 2.271 2.098 2.444 . 0 0 "[ . 1 . 2 ]" 1
815 1 93 TYR H 1 94 LYS H 4.000 . 4.750 2.609 2.523 2.672 . 0 0 "[ . 1 . 2 ]" 1
816 1 93 TYR H 1 94 LYS QB 4.000 . 4.750 4.234 4.202 4.256 . 0 0 "[ . 1 . 2 ]" 1
817 1 93 TYR HA 1 94 LYS H 5.000 . 6.000 3.574 3.547 3.601 . 0 0 "[ . 1 . 2 ]" 1
818 1 93 TYR HB3 1 94 LYS H 4.000 . 4.750 3.137 2.972 3.356 . 0 0 "[ . 1 . 2 ]" 1
819 1 93 TYR HB2 1 94 LYS H 4.000 . 4.750 2.671 2.538 2.806 . 0 0 "[ . 1 . 2 ]" 1
820 1 93 TYR QD 1 94 LYS H 5.000 . 6.000 4.461 4.377 4.546 . 0 0 "[ . 1 . 2 ]" 1
821 1 94 LYS H 1 95 MET H 4.000 . 4.750 2.737 2.618 2.841 . 0 0 "[ . 1 . 2 ]" 1
822 1 94 LYS HA 1 95 MET H 4.000 . 4.750 3.564 3.546 3.597 . 0 0 "[ . 1 . 2 ]" 1
823 1 94 LYS QB 1 95 MET H 3.000 . 3.500 2.571 2.287 2.681 . 0 0 "[ . 1 . 2 ]" 1
824 1 94 LYS QG 1 95 MET H 5.000 . 6.000 3.526 3.293 3.893 . 0 0 "[ . 1 . 2 ]" 1
825 1 95 MET H 1 96 ALA H 3.000 . 3.500 2.470 2.406 2.704 . 0 0 "[ . 1 . 2 ]" 1
826 1 95 MET H 1 96 ALA MB 5.000 . 6.000 4.070 4.019 4.264 . 0 0 "[ . 1 . 2 ]" 1
827 1 95 MET HA 1 96 ALA H 4.000 . 4.750 3.571 3.547 3.585 . 0 0 "[ . 1 . 2 ]" 1
828 1 95 MET HB3 1 96 ALA H 3.000 . 3.500 2.577 2.426 2.671 . 0 0 "[ . 1 . 2 ]" 1
829 1 95 MET HB2 1 96 ALA H 4.000 . 4.750 3.494 3.338 3.821 . 0 0 "[ . 1 . 2 ]" 1
830 1 95 MET QG 1 96 ALA H 5.000 . 6.000 4.280 3.889 4.484 . 0 0 "[ . 1 . 2 ]" 1
831 1 96 ALA H 1 97 GLN H 3.000 . 3.500 2.554 2.464 2.731 . 0 0 "[ . 1 . 2 ]" 1
832 1 96 ALA HA 1 97 GLN H 4.000 . 4.750 3.515 3.478 3.571 . 0 0 "[ . 1 . 2 ]" 1
833 1 96 ALA MB 1 97 GLN H 4.000 . 4.750 2.609 2.207 2.734 . 0 0 "[ . 1 . 2 ]" 1
834 1 97 GLN H 1 98 SER H 3.000 . 3.500 2.662 2.461 2.836 . 0 0 "[ . 1 . 2 ]" 1
835 1 97 GLN HA 1 98 SER H 4.000 . 4.750 3.532 3.413 3.579 . 0 0 "[ . 1 . 2 ]" 1
836 1 97 GLN QB 1 98 SER H 3.000 . 3.500 2.619 2.331 3.069 . 0 0 "[ . 1 . 2 ]" 1
837 1 97 GLN QG 1 98 SER H 4.000 . 4.750 4.003 3.300 4.300 . 0 0 "[ . 1 . 2 ]" 1
838 1 98 SER QB 1 99 THR H 3.000 . 3.500 2.772 2.436 3.125 . 0 0 "[ . 1 . 2 ]" 1
839 1 99 THR H 1 100 PRO HD3 4.000 . 4.750 4.440 3.978 4.692 . 0 0 "[ . 1 . 2 ]" 1
840 1 99 THR HA 1 100 PRO HG3 5.000 . 6.000 4.342 4.292 4.385 . 0 0 "[ . 1 . 2 ]" 1
841 1 99 THR HA 1 100 PRO HG2 5.000 . 6.000 4.244 4.181 4.372 . 0 0 "[ . 1 . 2 ]" 1
842 1 99 THR HA 1 100 PRO HD3 4.000 . 4.750 2.308 2.154 2.387 . 0 0 "[ . 1 . 2 ]" 1
843 1 99 THR HA 1 100 PRO HD2 4.000 . 4.750 2.058 1.974 2.242 . 0 0 "[ . 1 . 2 ]" 1
844 1 99 THR MG 1 100 PRO HD3 5.000 . 6.000 3.865 3.535 4.106 . 0 0 "[ . 1 . 2 ]" 1
845 1 99 THR MG 1 100 PRO HD2 5.000 . 6.000 2.776 2.320 3.166 . 0 0 "[ . 1 . 2 ]" 1
846 1 100 PRO HA 1 101 ASP H 4.000 . 4.750 3.590 3.546 3.607 . 0 0 "[ . 1 . 2 ]" 1
847 1 100 PRO HG3 1 101 ASP H 4.000 . 4.750 3.590 3.400 3.772 . 0 0 "[ . 1 . 2 ]" 1
848 1 100 PRO HG2 1 101 ASP H 4.000 . 4.750 2.023 1.817 2.399 . 0 0 "[ . 1 . 2 ]" 1
849 1 100 PRO HD3 1 101 ASP H 4.000 . 4.750 3.893 3.556 4.211 . 0 0 "[ . 1 . 2 ]" 1
850 1 100 PRO HD2 1 101 ASP H 4.000 . 4.750 2.724 2.105 3.312 . 0 0 "[ . 1 . 2 ]" 1
851 1 100 PRO QB 1 101 ASP H 3.000 . 3.500 2.742 2.086 3.074 . 0 0 "[ . 1 . 2 ]" 1
852 1 101 ASP H 1 102 LEU H 5.000 . 6.000 4.396 4.284 4.479 . 0 0 "[ . 1 . 2 ]" 1
853 1 101 ASP HA 1 102 LEU H 3.000 . 3.500 2.646 2.464 2.832 . 0 0 "[ . 1 . 2 ]" 1
854 1 101 ASP QB 1 102 LEU H 3.000 . 3.500 2.147 1.840 2.440 . 0 0 "[ . 1 . 2 ]" 1
855 1 102 LEU H 1 103 ASP H 3.000 . 3.500 2.645 2.511 2.790 . 0 0 "[ . 1 . 2 ]" 1
856 1 102 LEU HA 1 103 ASP H 3.000 . 3.500 3.537 3.475 3.562 0.062 10 0 "[ . 1 . 2 ]" 1
857 1 102 LEU HB3 1 103 ASP H 3.000 . 3.500 2.733 2.572 3.029 . 0 0 "[ . 1 . 2 ]" 1
858 1 102 LEU HB2 1 103 ASP H 4.000 . 4.750 3.834 3.227 4.207 . 0 0 "[ . 1 . 2 ]" 1
859 1 102 LEU HG 1 103 ASP H 4.000 . 4.750 3.858 3.103 4.790 0.040 17 0 "[ . 1 . 2 ]" 1
860 1 102 LEU MD1 1 103 ASP H 5.000 . 6.000 4.609 4.236 4.845 . 0 0 "[ . 1 . 2 ]" 1
861 1 102 LEU MD2 1 103 ASP H 4.000 . 4.750 3.927 3.728 3.982 . 0 0 "[ . 1 . 2 ]" 1
862 1 103 ASP H 1 104 SER H 3.000 . 3.500 2.719 2.608 2.778 . 0 0 "[ . 1 . 2 ]" 1
863 1 103 ASP HA 1 104 SER H 4.000 . 4.750 3.465 3.412 3.540 . 0 0 "[ . 1 . 2 ]" 1
864 1 103 ASP QB 1 104 SER H 3.000 . 3.500 2.982 2.657 3.137 . 0 0 "[ . 1 . 2 ]" 1
865 1 104 SER H 1 105 LEU H 3.000 . 3.500 2.225 2.022 2.458 . 0 0 "[ . 1 . 2 ]" 1
866 1 104 SER H 1 105 LEU QB 4.000 . 4.750 3.782 3.588 4.019 . 0 0 "[ . 1 . 2 ]" 1
867 1 104 SER HA 1 105 LEU H 4.000 . 4.750 3.494 3.390 3.510 . 0 0 "[ . 1 . 2 ]" 1
868 1 104 SER QB 1 105 LEU H 4.000 . 4.750 2.958 2.805 3.520 . 0 0 "[ . 1 . 2 ]" 1
869 1 105 LEU H 1 106 SER H 4.000 . 4.750 4.672 4.627 4.696 . 0 0 "[ . 1 . 2 ]" 1
870 1 105 LEU HA 1 106 SER H 3.000 . 3.500 2.428 2.388 2.484 . 0 0 "[ . 1 . 2 ]" 1
871 1 105 LEU QB 1 106 SER H 3.000 . 3.500 3.072 2.940 3.140 . 0 0 "[ . 1 . 2 ]" 1
872 1 106 SER HA 1 107 VAL H 3.000 . 3.500 2.268 2.210 2.406 . 0 0 "[ . 1 . 2 ]" 1
873 1 106 SER HA 1 107 VAL MG1 5.000 . 6.000 4.116 3.446 5.047 . 0 0 "[ . 1 . 2 ]" 1
874 1 106 SER HA 1 107 VAL MG2 5.000 . 6.000 4.093 3.396 5.040 . 0 0 "[ . 1 . 2 ]" 1
875 1 107 VAL HA 1 108 PRO QD 3.000 . 3.500 1.953 1.898 2.004 . 0 0 "[ . 1 . 2 ]" 1
876 1 108 PRO HA 1 109 SER H 3.000 . 3.500 3.007 2.224 3.576 0.076 5 0 "[ . 1 . 2 ]" 1
877 1 108 PRO QB 1 109 SER H 4.000 . 4.750 3.202 1.887 4.019 . 0 0 "[ . 1 . 2 ]" 1
878 1 5 VAL H 1 7 TYR QE 5.000 . 6.000 3.654 2.843 5.304 . 0 0 "[ . 1 . 2 ]" 1
879 1 5 VAL HA 1 7 TYR QE 5.000 . 6.000 5.016 4.817 5.498 . 0 0 "[ . 1 . 2 ]" 1
880 1 5 VAL HB 1 7 TYR QD 5.000 . 6.000 3.899 3.551 5.410 . 0 0 "[ . 1 . 2 ]" 1
881 1 5 VAL HB 1 7 TYR QE 4.000 . 4.750 2.764 2.416 4.230 . 0 0 "[ . 1 . 2 ]" 1
882 1 5 VAL MG1 1 7 TYR H 5.000 . 6.000 4.264 3.163 4.999 . 0 0 "[ . 1 . 2 ]" 1
883 1 5 VAL MG1 1 7 TYR HA 5.000 . 6.000 3.995 2.894 4.647 . 0 0 "[ . 1 . 2 ]" 1
884 1 5 VAL MG1 1 7 TYR QD 5.000 . 6.000 3.473 2.276 4.176 . 0 0 "[ . 1 . 2 ]" 1
885 1 5 VAL MG1 1 7 TYR QE 4.000 . 4.750 2.704 1.836 3.463 . 0 0 "[ . 1 . 2 ]" 1
886 1 5 VAL MG2 1 7 TYR QD 5.000 . 6.000 4.518 4.491 4.576 . 0 0 "[ . 1 . 2 ]" 1
887 1 5 VAL MG2 1 7 TYR QE 5.000 . 6.000 3.039 2.757 3.585 . 0 0 "[ . 1 . 2 ]" 1
888 1 11 MET ME 1 13 VAL HA 5.000 . 6.000 4.823 4.554 5.001 . 0 0 "[ . 1 . 2 ]" 1
889 1 11 MET ME 1 13 VAL MG1 5.000 . 6.000 2.643 2.451 2.855 . 0 0 "[ . 1 . 2 ]" 1
890 1 11 MET QG 1 13 VAL MG1 5.000 . 6.000 4.322 4.164 4.423 . 0 0 "[ . 1 . 2 ]" 1
891 1 13 VAL MG2 1 15 THR H 5.000 . 6.000 4.020 3.810 4.250 . 0 0 "[ . 1 . 2 ]" 1
892 1 13 VAL MG2 1 15 THR HB 5.000 . 6.000 5.024 5.008 5.040 . 0 0 "[ . 1 . 2 ]" 1
893 1 13 VAL MG2 1 15 THR HG1 5.000 . 6.000 3.973 3.442 4.689 . 0 0 "[ . 1 . 2 ]" 1
894 1 13 VAL MG2 1 15 THR MG 5.000 . 6.000 2.437 2.270 3.572 . 0 0 "[ . 1 . 2 ]" 1
895 1 14 LEU MD2 1 16 LYS H 5.000 . 6.000 5.040 5.016 5.066 . 0 0 "[ . 1 . 2 ]" 1
896 1 18 SER HA 1 20 PHE H 4.000 . 4.750 3.507 3.434 3.578 . 0 0 "[ . 1 . 2 ]" 1
897 1 21 PRO HB2 1 23 TRP HE3 5.000 . 6.000 4.462 4.382 4.556 . 0 0 "[ . 1 . 2 ]" 1
898 1 21 PRO HB2 1 23 TRP HZ3 4.000 . 4.750 4.791 4.745 4.843 0.093 21 0 "[ . 1 . 2 ]" 1
899 1 21 PRO HG3 1 23 TRP HE3 4.000 . 4.750 4.544 4.368 4.757 0.007 13 0 "[ . 1 . 2 ]" 1
900 1 21 PRO HG3 1 23 TRP HZ3 4.000 . 4.750 3.429 3.316 3.664 . 0 0 "[ . 1 . 2 ]" 1
901 1 21 PRO HG2 1 23 TRP HE3 3.000 . 3.500 2.868 2.709 3.059 . 0 0 "[ . 1 . 2 ]" 1
902 1 21 PRO HG2 1 23 TRP HZ3 3.000 . 3.500 2.498 2.460 2.580 . 0 0 "[ . 1 . 2 ]" 1
903 1 21 PRO HD3 1 23 TRP HZ3 4.000 . 4.750 3.775 3.445 4.128 . 0 0 "[ . 1 . 2 ]" 1
904 1 21 PRO HD2 1 23 TRP HE3 4.000 . 4.750 3.224 3.045 3.604 . 0 0 "[ . 1 . 2 ]" 1
905 1 21 PRO HD2 1 23 TRP HZ3 3.000 . 3.500 2.233 1.869 2.543 . 0 0 "[ . 1 . 2 ]" 1
906 1 26 MET H 1 28 VAL MG1 4.000 . 4.750 3.848 3.669 3.959 . 0 0 "[ . 1 . 2 ]" 1
907 1 26 MET QG 1 28 VAL MG1 5.000 . 6.000 3.186 2.363 3.692 . 0 0 "[ . 1 . 2 ]" 1
908 1 28 VAL MG2 1 30 GLU HA 5.000 . 6.000 4.487 4.238 4.678 . 0 0 "[ . 1 . 2 ]" 1
909 1 29 THR HA 1 31 SER H 4.000 . 4.750 3.989 3.888 4.162 . 0 0 "[ . 1 . 2 ]" 1
910 1 29 THR HB 1 31 SER H 4.000 . 4.750 2.997 2.801 3.166 . 0 0 "[ . 1 . 2 ]" 1
911 1 29 THR MG 1 31 SER H 5.000 . 6.000 4.234 4.149 4.351 . 0 0 "[ . 1 . 2 ]" 1
912 1 29 THR MG 1 31 SER QB 5.000 . 6.000 4.061 3.812 4.276 . 0 0 "[ . 1 . 2 ]" 1
913 1 30 GLU HA 1 32 LYS H 5.000 . 6.000 3.932 3.650 4.206 . 0 0 "[ . 1 . 2 ]" 1
914 1 31 SER H 1 33 MET H 5.000 . 6.000 3.967 3.677 4.218 . 0 0 "[ . 1 . 2 ]" 1
915 1 36 VAL H 1 38 ARG H 5.000 . 6.000 4.032 3.791 4.359 . 0 0 "[ . 1 . 2 ]" 1
916 1 37 ALA H 1 39 LYS H 5.000 . 6.000 4.068 3.918 4.210 . 0 0 "[ . 1 . 2 ]" 1
917 1 37 ALA MB 1 39 LYS H 5.000 . 6.000 4.381 4.229 4.608 . 0 0 "[ . 1 . 2 ]" 1
918 1 42 PRO HA 1 44 ARG H 4.000 . 4.750 4.009 3.640 4.706 . 0 0 "[ . 1 . 2 ]" 1
919 1 42 PRO QB 1 44 ARG H 3.000 . 3.500 2.697 2.454 3.244 . 0 0 "[ . 1 . 2 ]" 1
920 1 42 PRO QG 1 44 ARG H 4.000 . 4.750 4.148 4.027 4.253 . 0 0 "[ . 1 . 2 ]" 1
921 1 46 GLY H 1 48 PHE QE 4.000 . 4.750 4.090 3.646 4.280 . 0 0 "[ . 1 . 2 ]" 1
922 1 46 GLY QA 1 48 PHE HZ 4.000 . 4.750 4.236 4.106 4.272 . 0 0 "[ . 1 . 2 ]" 1
923 1 46 GLY QA 1 48 PHE QE 4.000 . 4.750 3.075 2.192 3.316 . 0 0 "[ . 1 . 2 ]" 1
924 1 47 THR HB 1 49 TYR QE 4.000 . 4.750 3.154 2.022 4.155 . 0 0 "[ . 1 . 2 ]" 1
925 1 47 THR MG 1 49 TYR QD 4.000 . 4.750 3.192 2.748 3.523 . 0 0 "[ . 1 . 2 ]" 1
926 1 47 THR MG 1 49 TYR QE 4.000 . 4.750 2.476 1.982 2.988 . 0 0 "[ . 1 . 2 ]" 1
927 1 49 TYR H 1 51 VAL MG1 5.000 . 6.000 4.364 4.249 4.461 . 0 0 "[ . 1 . 2 ]" 1
928 1 49 TYR HB3 1 51 VAL MG1 5.000 . 6.000 2.887 2.639 3.176 . 0 0 "[ . 1 . 2 ]" 1
929 1 49 TYR HB2 1 51 VAL MG1 5.000 . 6.000 3.017 2.853 3.167 . 0 0 "[ . 1 . 2 ]" 1
930 1 49 TYR QD 1 51 VAL MG1 5.000 . 6.000 4.095 3.995 4.273 . 0 0 "[ . 1 . 2 ]" 1
931 1 51 VAL MG1 1 53 PHE QD 5.000 . 6.000 4.500 4.476 4.532 . 0 0 "[ . 1 . 2 ]" 1
932 1 51 VAL MG1 1 53 PHE QE 4.000 . 4.750 3.562 3.542 3.596 . 0 0 "[ . 1 . 2 ]" 1
933 1 51 VAL MG2 1 53 PHE H 4.000 . 4.750 3.792 3.674 3.901 . 0 0 "[ . 1 . 2 ]" 1
934 1 51 VAL MG2 1 53 PHE HZ 5.000 . 6.000 3.770 3.671 3.869 . 0 0 "[ . 1 . 2 ]" 1
935 1 51 VAL MG2 1 53 PHE QD 4.000 . 4.750 1.914 1.816 2.072 . 0 0 "[ . 1 . 2 ]" 1
936 1 51 VAL MG2 1 53 PHE QE 4.000 . 4.750 1.822 1.744 1.912 0.056 14 0 "[ . 1 . 2 ]" 1
937 1 52 ILE MG 1 54 PHE HZ 5.000 . 6.000 3.433 3.038 3.631 . 0 0 "[ . 1 . 2 ]" 1
938 1 52 ILE MG 1 54 PHE QE 5.000 . 6.000 3.324 2.904 3.525 . 0 0 "[ . 1 . 2 ]" 1
939 1 52 ILE MD 1 54 PHE HZ 5.000 . 6.000 3.086 2.454 3.498 . 0 0 "[ . 1 . 2 ]" 1
940 1 52 ILE MD 1 54 PHE QE 5.000 . 6.000 2.734 2.248 2.988 . 0 0 "[ . 1 . 2 ]" 1
941 1 54 PHE HA 1 56 ASN H 5.000 . 6.000 3.989 3.007 4.233 . 0 0 "[ . 1 . 2 ]" 1
942 1 54 PHE QD 1 56 ASN H 5.000 . 6.000 4.595 4.344 5.141 . 0 0 "[ . 1 . 2 ]" 1
943 1 55 PRO HA 1 57 LYS H 5.000 . 6.000 3.219 3.056 3.457 . 0 0 "[ . 1 . 2 ]" 1
944 1 56 ASN H 1 58 GLU H 5.000 . 6.000 4.899 3.618 5.890 . 0 0 "[ . 1 . 2 ]" 1
945 1 57 LYS QG 1 59 TYR QD 5.000 . 6.000 4.302 4.141 4.585 . 0 0 "[ . 1 . 2 ]" 1
946 1 57 LYS QG 1 59 TYR QE 3.000 . 3.500 2.801 2.603 2.866 . 0 0 "[ . 1 . 2 ]" 1
947 1 60 LEU HG 1 62 THR HB 3.000 . 3.500 3.372 3.269 3.480 . 0 0 "[ . 1 . 2 ]" 1
948 1 60 LEU MD1 1 62 THR HA 5.000 . 6.000 5.011 4.968 5.029 . 0 0 "[ . 1 . 2 ]" 1
949 1 60 LEU MD1 1 62 THR HB 4.000 . 4.750 3.933 3.844 3.992 . 0 0 "[ . 1 . 2 ]" 1
950 1 60 LEU MD2 1 62 THR HA 5.000 . 6.000 3.579 3.501 3.652 . 0 0 "[ . 1 . 2 ]" 1
951 1 60 LEU MD2 1 62 THR HB 4.000 . 4.750 1.787 1.734 1.824 0.066 3 0 "[ . 1 . 2 ]" 1
952 1 60 LEU MD2 1 62 THR MG 5.000 . 6.000 2.164 1.937 2.432 . 0 0 "[ . 1 . 2 ]" 1
953 1 64 SER H 1 66 SER H 5.000 . 6.000 4.943 4.724 5.062 . 0 0 "[ . 1 . 2 ]" 1
954 1 64 SER HA 1 66 SER H 4.000 . 4.750 4.704 4.444 4.775 0.025 4 0 "[ . 1 . 2 ]" 1
955 1 65 ASP H 1 67 LEU H 4.000 . 4.750 3.845 3.790 3.966 . 0 0 "[ . 1 . 2 ]" 1
956 1 65 ASP HA 1 67 LEU H 5.000 . 6.000 3.818 3.739 3.984 . 0 0 "[ . 1 . 2 ]" 1
957 1 69 PRO QB 1 71 THR MG 5.000 . 6.000 3.412 3.146 3.791 . 0 0 "[ . 1 . 2 ]" 1
958 1 71 THR HA 1 73 GLU H 5.000 . 6.000 4.223 4.016 4.430 . 0 0 "[ . 1 . 2 ]" 1
959 1 71 THR MG 1 73 GLU H 5.000 . 6.000 4.445 4.229 4.650 . 0 0 "[ . 1 . 2 ]" 1
960 1 72 SER H 1 74 ALA H 5.000 . 6.000 4.385 4.142 4.610 . 0 0 "[ . 1 . 2 ]" 1
961 1 73 GLU HA 1 75 ILE H 4.000 . 4.750 4.475 4.297 4.649 . 0 0 "[ . 1 . 2 ]" 1
962 1 74 ALA HA 1 76 SER H 5.000 . 6.000 4.704 4.646 4.792 . 0 0 "[ . 1 . 2 ]" 1
963 1 75 ILE H 1 77 GLN H 4.000 . 4.750 4.129 4.019 4.230 . 0 0 "[ . 1 . 2 ]" 1
964 1 75 ILE HA 1 77 GLN H 5.000 . 6.000 4.520 4.427 4.672 . 0 0 "[ . 1 . 2 ]" 1
965 1 76 SER H 1 78 PHE H 4.000 . 4.750 4.253 3.892 4.441 . 0 0 "[ . 1 . 2 ]" 1
966 1 76 SER HA 1 78 PHE H 5.000 . 6.000 4.301 3.836 4.528 . 0 0 "[ . 1 . 2 ]" 1
967 1 77 GLN H 1 79 LEU H 5.000 . 6.000 4.243 4.196 4.445 . 0 0 "[ . 1 . 2 ]" 1
968 1 77 GLN HA 1 79 LEU H 5.000 . 6.000 4.595 4.517 4.761 . 0 0 "[ . 1 . 2 ]" 1
969 1 78 PHE H 1 80 GLU H 5.000 . 6.000 4.264 3.997 4.337 . 0 0 "[ . 1 . 2 ]" 1
970 1 78 PHE HA 1 80 GLU H 5.000 . 6.000 4.403 4.272 4.464 . 0 0 "[ . 1 . 2 ]" 1
971 1 79 LEU H 1 81 LYS H 5.000 . 6.000 4.137 4.055 4.187 . 0 0 "[ . 1 . 2 ]" 1
972 1 79 LEU HA 1 81 LYS H 4.000 . 4.750 4.462 4.410 4.497 . 0 0 "[ . 1 . 2 ]" 1
973 1 83 LYS QD 1 85 LYS H 5.000 . 6.000 4.636 3.593 5.315 . 0 0 "[ . 1 . 2 ]" 1
974 1 84 PRO HB3 1 86 THR MG 5.000 . 6.000 4.628 4.436 4.771 . 0 0 "[ . 1 . 2 ]" 1
975 1 84 PRO HB2 1 86 THR H 4.000 . 4.750 4.587 4.531 4.679 . 0 0 "[ . 1 . 2 ]" 1
976 1 84 PRO HB2 1 86 THR MG 5.000 . 6.000 3.694 3.415 3.884 . 0 0 "[ . 1 . 2 ]" 1
977 1 84 PRO HG3 1 86 THR H 5.000 . 6.000 5.863 5.780 5.946 . 0 0 "[ . 1 . 2 ]" 1
978 1 84 PRO HG3 1 86 THR MG 5.000 . 6.000 3.808 3.636 3.977 . 0 0 "[ . 1 . 2 ]" 1
979 1 84 PRO HG2 1 86 THR H 4.000 . 4.750 4.163 4.057 4.253 . 0 0 "[ . 1 . 2 ]" 1
980 1 84 PRO HG2 1 86 THR MG 4.000 . 4.750 2.259 2.044 2.494 . 0 0 "[ . 1 . 2 ]" 1
981 1 86 THR HA 1 88 SER H 5.000 . 6.000 3.748 3.542 4.023 . 0 0 "[ . 1 . 2 ]" 1
982 1 86 THR MG 1 88 SER H 5.000 . 6.000 4.281 4.011 4.707 . 0 0 "[ . 1 . 2 ]" 1
983 1 87 ALA HA 1 89 LEU H 4.000 . 4.750 4.747 4.533 4.802 0.052 23 0 "[ . 1 . 2 ]" 1
984 1 88 SER HA 1 90 ILE H 5.000 . 6.000 4.741 4.466 4.904 . 0 0 "[ . 1 . 2 ]" 1
985 1 89 LEU H 1 91 LYS H 4.000 . 4.750 4.019 3.930 4.129 . 0 0 "[ . 1 . 2 ]" 1
986 1 90 ILE H 1 92 ALA H 4.000 . 4.750 3.792 3.684 3.862 . 0 0 "[ . 1 . 2 ]" 1
987 1 90 ILE HA 1 92 ALA H 4.000 . 4.750 4.032 3.963 4.096 . 0 0 "[ . 1 . 2 ]" 1
988 1 91 LYS H 1 93 TYR H 4.000 . 4.750 4.288 4.151 4.467 . 0 0 "[ . 1 . 2 ]" 1
989 1 91 LYS HA 1 93 TYR H 5.000 . 6.000 4.522 4.280 4.705 . 0 0 "[ . 1 . 2 ]" 1
990 1 92 ALA H 1 94 LYS H 5.000 . 6.000 4.054 3.852 4.195 . 0 0 "[ . 1 . 2 ]" 1
991 1 92 ALA HA 1 94 LYS H 5.000 . 6.000 4.768 4.511 5.006 . 0 0 "[ . 1 . 2 ]" 1
992 1 92 ALA MB 1 94 LYS H 5.000 . 6.000 4.418 4.196 4.541 . 0 0 "[ . 1 . 2 ]" 1
993 1 93 TYR H 1 95 MET H 5.000 . 6.000 4.073 3.885 4.298 . 0 0 "[ . 1 . 2 ]" 1
994 1 93 TYR HA 1 95 MET H 4.000 . 4.750 4.360 4.142 4.614 . 0 0 "[ . 1 . 2 ]" 1
995 1 94 LYS H 1 96 ALA H 4.000 . 4.750 4.173 3.983 4.276 . 0 0 "[ . 1 . 2 ]" 1
996 1 94 LYS HA 1 96 ALA H 4.000 . 4.750 4.770 4.635 4.824 0.074 18 0 "[ . 1 . 2 ]" 1
997 1 95 MET H 1 97 GLN H 5.000 . 6.000 3.789 3.654 4.151 . 0 0 "[ . 1 . 2 ]" 1
998 1 95 MET HA 1 97 GLN H 5.000 . 6.000 4.207 3.970 4.802 . 0 0 "[ . 1 . 2 ]" 1
999 1 96 ALA H 1 98 SER H 4.000 . 4.750 4.174 3.795 4.444 . 0 0 "[ . 1 . 2 ]" 1
1000 1 97 GLN HA 1 99 THR H 4.000 . 4.750 4.289 3.990 4.747 . 0 0 "[ . 1 . 2 ]" 1
1001 1 99 THR HA 1 101 ASP H 5.000 . 6.000 4.209 3.747 4.973 . 0 0 "[ . 1 . 2 ]" 1
1002 1 99 THR MG 1 101 ASP H 5.000 . 6.000 3.108 2.466 4.310 . 0 0 "[ . 1 . 2 ]" 1
1003 1 101 ASP HA 1 103 ASP H 4.000 . 4.750 4.532 4.107 4.790 0.040 23 0 "[ . 1 . 2 ]" 1
1004 1 101 ASP QB 1 103 ASP H 4.000 . 4.750 2.790 2.390 3.396 . 0 0 "[ . 1 . 2 ]" 1
1005 1 102 LEU H 1 104 SER H 5.000 . 6.000 4.108 3.931 4.372 . 0 0 "[ . 1 . 2 ]" 1
1006 1 103 ASP H 1 105 LEU H 4.000 . 4.750 4.179 3.968 4.329 . 0 0 "[ . 1 . 2 ]" 1
1007 1 103 ASP HA 1 105 LEU H 4.000 . 4.750 4.315 4.026 4.561 . 0 0 "[ . 1 . 2 ]" 1
1008 1 8 LYS H 1 11 MET H 4.000 . 4.750 4.134 3.926 4.403 . 0 0 "[ . 1 . 2 ]" 1
1009 1 8 LYS H 1 11 MET HB3 5.000 . 6.000 3.320 3.097 3.545 . 0 0 "[ . 1 . 2 ]" 1
1010 1 8 LYS H 1 11 MET HB2 4.000 . 4.750 2.447 2.241 2.699 . 0 0 "[ . 1 . 2 ]" 1
1011 1 8 LYS H 1 11 MET ME 5.000 . 6.000 2.803 2.439 3.178 . 0 0 "[ . 1 . 2 ]" 1
1012 1 8 LYS H 1 11 MET QG 4.000 . 4.750 3.266 3.076 3.512 . 0 0 "[ . 1 . 2 ]" 1
1013 1 8 LYS QB 1 11 MET QG 4.000 . 4.750 2.613 1.939 3.773 . 0 0 "[ . 1 . 2 ]" 1
1014 1 8 LYS QG 1 11 MET QG 5.000 . 6.000 3.357 1.723 4.462 0.077 10 0 "[ . 1 . 2 ]" 1
1015 1 17 MET HB3 1 20 PHE HB2 4.000 . 4.750 1.767 1.742 1.808 0.058 21 0 "[ . 1 . 2 ]" 1
1016 1 17 MET HB3 1 20 PHE QD 3.000 . 3.500 2.176 1.834 3.192 . 0 0 "[ . 1 . 2 ]" 1
1017 1 17 MET HB3 1 20 PHE QE 5.000 . 6.000 4.423 4.208 4.945 . 0 0 "[ . 1 . 2 ]" 1
1018 1 17 MET HB2 1 20 PHE QD 3.000 . 3.500 3.185 3.162 3.213 . 0 0 "[ . 1 . 2 ]" 1
1019 1 17 MET HB2 1 20 PHE QE 5.000 . 6.000 5.264 5.202 5.362 . 0 0 "[ . 1 . 2 ]" 1
1020 1 17 MET ME 1 20 PHE HB2 5.000 . 6.000 3.628 2.930 4.295 . 0 0 "[ . 1 . 2 ]" 1
1021 1 17 MET ME 1 20 PHE QD 5.000 . 6.000 2.633 1.773 4.267 0.027 15 0 "[ . 1 . 2 ]" 1
1022 1 17 MET QG 1 20 PHE QD 5.000 . 6.000 3.596 2.778 4.411 . 0 0 "[ . 1 . 2 ]" 1
1023 1 20 PHE HA 1 23 TRP HZ3 5.000 . 6.000 3.887 3.555 4.206 . 0 0 "[ . 1 . 2 ]" 1
1024 1 20 PHE HB3 1 23 TRP HE3 4.000 . 4.750 3.446 3.056 3.674 . 0 0 "[ . 1 . 2 ]" 1
1025 1 20 PHE HB3 1 23 TRP HZ3 4.000 . 4.750 4.325 3.774 4.764 0.014 12 0 "[ . 1 . 2 ]" 1
1026 1 20 PHE HB2 1 23 TRP HZ3 5.000 . 6.000 5.650 5.174 6.006 0.006 19 0 "[ . 1 . 2 ]" 1
1027 1 20 PHE QD 1 23 TRP HE3 4.000 . 4.750 3.607 2.823 4.061 . 0 0 "[ . 1 . 2 ]" 1
1028 1 20 PHE QD 1 23 TRP HZ3 3.000 . 3.500 2.820 2.533 3.192 . 0 0 "[ . 1 . 2 ]" 1
1029 1 20 PHE QE 1 23 TRP HZ3 4.000 . 4.750 3.645 3.378 4.107 . 0 0 "[ . 1 . 2 ]" 1
1030 1 20 PHE QE 1 23 TRP HH2 4.000 . 4.750 3.981 3.592 4.252 . 0 0 "[ . 1 . 2 ]" 1
1031 1 29 THR H 1 32 LYS H 5.000 . 6.000 3.297 3.047 3.563 . 0 0 "[ . 1 . 2 ]" 1
1032 1 29 THR H 1 32 LYS QB 4.000 . 4.750 2.467 1.983 3.367 . 0 0 "[ . 1 . 2 ]" 1
1033 1 29 THR H 1 32 LYS QG 5.000 . 6.000 3.136 2.063 4.145 . 0 0 "[ . 1 . 2 ]" 1
1034 1 29 THR MG 1 32 LYS H 5.000 . 6.000 4.496 4.204 4.759 . 0 0 "[ . 1 . 2 ]" 1
1035 1 30 GLU HA 1 33 MET H 3.000 . 3.500 3.203 2.887 3.502 0.002 5 0 "[ . 1 . 2 ]" 1
1036 1 30 GLU HA 1 33 MET ME 4.000 . 4.750 3.818 3.495 4.051 . 0 0 "[ . 1 . 2 ]" 1
1037 1 30 GLU HA 1 33 MET QB 4.000 . 4.750 2.471 1.721 3.471 0.079 15 0 "[ . 1 . 2 ]" 1
1038 1 30 GLU HA 1 33 MET QG 3.000 . 3.500 2.958 2.613 3.248 . 0 0 "[ . 1 . 2 ]" 1
1039 1 34 THR H 1 37 ALA MB 5.000 . 6.000 3.351 2.641 4.078 . 0 0 "[ . 1 . 2 ]" 1
1040 1 34 THR HB 1 37 ALA H 5.000 . 6.000 5.065 4.477 5.550 . 0 0 "[ . 1 . 2 ]" 1
1041 1 34 THR MG 1 37 ALA H 5.000 . 6.000 2.477 1.884 4.366 . 0 0 "[ . 1 . 2 ]" 1
1042 1 34 THR MG 1 37 ALA MB 5.000 . 6.000 3.072 2.597 4.173 . 0 0 "[ . 1 . 2 ]" 1
1043 1 35 SER QB 1 38 ARG QB 4.000 . 4.750 3.708 3.195 3.810 . 0 0 "[ . 1 . 2 ]" 1
1044 1 35 SER QB 1 38 ARG QD 5.000 . 6.000 4.481 3.506 4.785 . 0 0 "[ . 1 . 2 ]" 1
1045 1 36 VAL HA 1 39 LYS H 4.000 . 4.750 3.803 3.628 3.950 . 0 0 "[ . 1 . 2 ]" 1
1046 1 36 VAL HA 1 39 LYS QB 3.000 . 3.500 3.017 2.748 3.154 . 0 0 "[ . 1 . 2 ]" 1
1047 1 36 VAL HA 1 39 LYS QG 4.000 . 4.750 4.041 3.203 4.276 . 0 0 "[ . 1 . 2 ]" 1
1048 1 37 ALA HA 1 40 SER H 5.000 . 6.000 3.391 3.237 3.605 . 0 0 "[ . 1 . 2 ]" 1
1049 1 37 ALA HA 1 40 SER QB 4.000 . 4.750 2.982 2.517 3.946 . 0 0 "[ . 1 . 2 ]" 1
1050 1 38 ARG HA 1 41 LYS HB2 5.000 . 6.000 2.728 2.279 3.331 . 0 0 "[ . 1 . 2 ]" 1
1051 1 45 ALA H 1 48 PHE QE 4.000 . 4.750 4.292 4.209 4.328 . 0 0 "[ . 1 . 2 ]" 1
1052 1 45 ALA HA 1 48 PHE QE 5.000 . 6.000 4.248 3.839 4.381 . 0 0 "[ . 1 . 2 ]" 1
1053 1 45 ALA MB 1 48 PHE QE 5.000 . 6.000 4.465 4.357 4.537 . 0 0 "[ . 1 . 2 ]" 1
1054 1 54 PHE HA 1 57 LYS H 4.000 . 4.750 3.109 2.584 3.550 . 0 0 "[ . 1 . 2 ]" 1
1055 1 54 PHE QD 1 57 LYS H 4.000 . 4.750 3.674 3.114 4.116 . 0 0 "[ . 1 . 2 ]" 1
1056 1 64 SER H 1 67 LEU MD1 5.000 . 6.000 3.756 3.456 4.106 . 0 0 "[ . 1 . 2 ]" 1
1057 1 64 SER HA 1 67 LEU H 4.000 . 4.750 3.423 3.206 3.509 . 0 0 "[ . 1 . 2 ]" 1
1058 1 64 SER HA 1 67 LEU HB3 4.000 . 4.750 2.950 2.666 3.171 . 0 0 "[ . 1 . 2 ]" 1
1059 1 64 SER HA 1 67 LEU HB2 4.000 . 4.750 1.923 1.823 2.082 . 0 0 "[ . 1 . 2 ]" 1
1060 1 64 SER HA 1 67 LEU HG 4.000 . 4.750 4.023 3.796 4.407 . 0 0 "[ . 1 . 2 ]" 1
1061 1 64 SER HA 1 67 LEU MD1 4.000 . 4.750 2.504 2.161 2.872 . 0 0 "[ . 1 . 2 ]" 1
1062 1 64 SER HA 1 67 LEU MD2 5.000 . 6.000 4.360 4.161 4.528 . 0 0 "[ . 1 . 2 ]" 1
1063 1 64 SER QB 1 67 LEU MD1 5.000 . 6.000 3.762 3.591 4.143 . 0 0 "[ . 1 . 2 ]" 1
1064 1 71 THR H 1 74 ALA H 4.000 . 4.750 3.827 3.434 4.290 . 0 0 "[ . 1 . 2 ]" 1
1065 1 71 THR H 1 74 ALA MB 4.000 . 4.750 2.499 2.104 3.054 . 0 0 "[ . 1 . 2 ]" 1
1066 1 71 THR HA 1 74 ALA H 5.000 . 6.000 4.730 4.598 4.855 . 0 0 "[ . 1 . 2 ]" 1
1067 1 71 THR MG 1 74 ALA H 5.000 . 6.000 4.032 3.945 4.073 . 0 0 "[ . 1 . 2 ]" 1
1068 1 72 SER H 1 75 ILE MD 5.000 . 6.000 3.593 3.247 4.016 . 0 0 "[ . 1 . 2 ]" 1
1069 1 72 SER QB 1 75 ILE HB 4.000 . 4.750 4.160 4.019 4.256 . 0 0 "[ . 1 . 2 ]" 1
1070 1 72 SER QB 1 75 ILE MD 4.000 . 4.750 3.399 3.138 3.541 . 0 0 "[ . 1 . 2 ]" 1
1071 1 73 GLU HA 1 76 SER H 4.000 . 4.750 3.653 3.523 3.790 . 0 0 "[ . 1 . 2 ]" 1
1072 1 73 GLU HA 1 76 SER QB 3.000 . 3.500 2.887 2.669 3.139 . 0 0 "[ . 1 . 2 ]" 1
1073 1 74 ALA HA 1 77 GLN H 4.000 . 4.750 3.486 3.385 3.605 . 0 0 "[ . 1 . 2 ]" 1
1074 1 74 ALA HA 1 77 GLN QB 3.000 . 3.500 2.430 2.015 2.747 . 0 0 "[ . 1 . 2 ]" 1
1075 1 74 ALA HA 1 77 GLN QG 4.000 . 4.750 2.775 2.151 3.156 . 0 0 "[ . 1 . 2 ]" 1
1076 1 74 ALA MB 1 77 GLN H 5.000 . 6.000 4.608 4.499 4.722 . 0 0 "[ . 1 . 2 ]" 1
1077 1 74 ALA MB 1 77 GLN QG 5.000 . 6.000 4.069 3.767 4.428 . 0 0 "[ . 1 . 2 ]" 1
1078 1 75 ILE HA 1 78 PHE H 5.000 . 6.000 3.594 3.430 3.681 . 0 0 "[ . 1 . 2 ]" 1
1079 1 75 ILE HA 1 78 PHE HB3 4.000 . 4.750 2.923 2.780 3.079 . 0 0 "[ . 1 . 2 ]" 1
1080 1 75 ILE HA 1 78 PHE HB2 4.000 . 4.750 3.935 3.711 4.107 . 0 0 "[ . 1 . 2 ]" 1
1081 1 75 ILE HA 1 78 PHE QD 5.000 . 6.000 4.343 4.192 4.550 . 0 0 "[ . 1 . 2 ]" 1
1082 1 76 SER HA 1 79 LEU H 4.000 . 4.750 3.211 3.054 3.323 . 0 0 "[ . 1 . 2 ]" 1
1083 1 76 SER HA 1 79 LEU HB3 4.000 . 4.750 3.955 3.801 4.392 . 0 0 "[ . 1 . 2 ]" 1
1084 1 76 SER HA 1 79 LEU HB2 4.000 . 4.750 2.619 2.429 2.917 . 0 0 "[ . 1 . 2 ]" 1
1085 1 76 SER HA 1 79 LEU MD1 5.000 . 6.000 1.912 1.815 2.954 . 0 0 "[ . 1 . 2 ]" 1
1086 1 76 SER HA 1 79 LEU MD2 4.000 . 4.750 3.992 3.968 4.089 . 0 0 "[ . 1 . 2 ]" 1
1087 1 77 GLN HA 1 80 GLU H 4.000 . 4.750 3.648 3.446 3.743 . 0 0 "[ . 1 . 2 ]" 1
1088 1 77 GLN HA 1 80 GLU QB 3.000 . 3.500 3.038 2.341 3.148 . 0 0 "[ . 1 . 2 ]" 1
1089 1 77 GLN HA 1 80 GLU QG 3.000 . 3.500 3.023 2.675 3.206 . 0 0 "[ . 1 . 2 ]" 1
1090 1 78 PHE HA 1 81 LYS H 4.000 . 4.750 3.175 3.025 3.258 . 0 0 "[ . 1 . 2 ]" 1
1091 1 79 LEU HA 1 82 PRO HB3 4.000 . 4.750 4.078 3.991 4.152 . 0 0 "[ . 1 . 2 ]" 1
1092 1 79 LEU HA 1 82 PRO QG 4.000 . 4.750 4.290 4.273 4.315 . 0 0 "[ . 1 . 2 ]" 1
1093 1 86 THR H 1 89 LEU MD2 5.000 . 6.000 3.594 3.167 3.803 . 0 0 "[ . 1 . 2 ]" 1
1094 1 86 THR HB 1 89 LEU H 4.000 . 4.750 4.005 3.816 4.078 . 0 0 "[ . 1 . 2 ]" 1
1095 1 86 THR MG 1 89 LEU H 4.000 . 4.750 2.792 2.590 3.156 . 0 0 "[ . 1 . 2 ]" 1
1096 1 86 THR MG 1 89 LEU HA 5.000 . 6.000 3.942 3.849 4.052 . 0 0 "[ . 1 . 2 ]" 1
1097 1 86 THR MG 1 89 LEU QB 4.000 . 4.750 1.588 1.559 1.633 0.241 3 0 "[ . 1 . 2 ]" 1
1098 1 86 THR MG 1 89 LEU MD1 5.000 . 6.000 2.911 2.518 3.149 . 0 0 "[ . 1 . 2 ]" 1
1099 1 86 THR MG 1 89 LEU MD2 5.000 . 6.000 2.248 1.819 2.421 . 0 0 "[ . 1 . 2 ]" 1
1100 1 87 ALA H 1 90 ILE MD 5.000 . 6.000 3.972 3.602 4.369 . 0 0 "[ . 1 . 2 ]" 1
1101 1 87 ALA HA 1 90 ILE H 4.000 . 4.750 3.802 3.610 3.966 . 0 0 "[ . 1 . 2 ]" 1
1102 1 87 ALA HA 1 90 ILE MG 5.000 . 6.000 3.988 3.716 4.233 . 0 0 "[ . 1 . 2 ]" 1
1103 1 87 ALA HA 1 90 ILE MD 4.000 . 4.750 2.833 2.294 3.031 . 0 0 "[ . 1 . 2 ]" 1
1104 1 87 ALA MB 1 90 ILE H 5.000 . 6.000 4.905 4.759 5.014 . 0 0 "[ . 1 . 2 ]" 1
1105 1 87 ALA MB 1 90 ILE MD 5.000 . 6.000 3.948 3.592 4.162 . 0 0 "[ . 1 . 2 ]" 1
1106 1 88 SER HA 1 91 LYS H 3.000 . 3.500 3.584 3.463 3.629 0.129 12 0 "[ . 1 . 2 ]" 1
1107 1 88 SER HA 1 91 LYS QB 3.000 . 3.500 2.694 2.503 3.291 . 0 0 "[ . 1 . 2 ]" 1
1108 1 89 LEU HA 1 92 ALA H 4.000 . 4.750 3.026 2.958 3.093 . 0 0 "[ . 1 . 2 ]" 1
1109 1 89 LEU HA 1 92 ALA MB 4.000 . 4.750 1.975 1.810 2.098 . 0 0 "[ . 1 . 2 ]" 1
1110 1 89 LEU MD1 1 92 ALA H 5.000 . 6.000 5.029 4.959 5.062 . 0 0 "[ . 1 . 2 ]" 1
1111 1 89 LEU MD1 1 92 ALA MB 5.000 . 6.000 3.127 3.009 3.212 . 0 0 "[ . 1 . 2 ]" 1
1112 1 89 LEU MD2 1 92 ALA MB 5.000 . 6.000 4.207 4.175 4.247 . 0 0 "[ . 1 . 2 ]" 1
1113 1 90 ILE HA 1 93 TYR H 3.000 . 3.500 3.485 3.321 3.552 0.052 13 0 "[ . 1 . 2 ]" 1
1114 1 90 ILE HA 1 93 TYR HB3 4.000 . 4.750 4.458 4.293 4.650 . 0 0 "[ . 1 . 2 ]" 1
1115 1 90 ILE HA 1 93 TYR HB2 4.000 . 4.750 2.980 2.840 3.121 . 0 0 "[ . 1 . 2 ]" 1
1116 1 90 ILE MG 1 93 TYR HB3 5.000 . 6.000 5.017 4.959 5.053 . 0 0 "[ . 1 . 2 ]" 1
1117 1 91 LYS HA 1 94 LYS H 4.000 . 4.750 3.505 3.339 3.693 . 0 0 "[ . 1 . 2 ]" 1
1118 1 91 LYS HA 1 94 LYS QB 3.000 . 3.500 2.370 2.120 2.545 . 0 0 "[ . 1 . 2 ]" 1
1119 1 92 ALA HA 1 95 MET H 4.000 . 4.750 3.845 3.646 3.988 . 0 0 "[ . 1 . 2 ]" 1
1120 1 92 ALA HA 1 95 MET HB3 3.000 . 3.500 3.493 3.398 3.566 0.066 9 0 "[ . 1 . 2 ]" 1
1121 1 92 ALA HA 1 95 MET ME 5.000 . 6.000 4.881 4.494 5.015 . 0 0 "[ . 1 . 2 ]" 1
1122 1 93 TYR HA 1 96 ALA H 3.000 . 3.500 3.435 3.136 3.567 0.067 4 0 "[ . 1 . 2 ]" 1
1123 1 93 TYR HA 1 96 ALA MB 4.000 . 4.750 2.408 2.152 2.650 . 0 0 "[ . 1 . 2 ]" 1
1124 1 93 TYR QD 1 96 ALA MB 5.000 . 6.000 3.591 3.155 4.030 . 0 0 "[ . 1 . 2 ]" 1
1125 1 94 LYS HA 1 97 GLN H 4.000 . 4.750 3.811 3.625 4.223 . 0 0 "[ . 1 . 2 ]" 1
1126 1 94 LYS HA 1 97 GLN QB 3.000 . 3.500 2.728 2.475 3.119 . 0 0 "[ . 1 . 2 ]" 1
1127 1 95 MET HA 1 98 SER H 3.000 . 3.500 3.534 3.440 3.592 0.092 10 0 "[ . 1 . 2 ]" 1
1128 1 96 ALA HA 1 99 THR H 4.000 . 4.750 3.215 3.051 3.382 . 0 0 "[ . 1 . 2 ]" 1
1129 1 96 ALA HA 1 99 THR HB 4.000 . 4.750 2.610 2.343 3.006 . 0 0 "[ . 1 . 2 ]" 1
1130 1 96 ALA HA 1 99 THR MG 5.000 . 6.000 3.951 3.739 4.316 . 0 0 "[ . 1 . 2 ]" 1
1131 1 96 ALA MB 1 99 THR H 5.000 . 6.000 4.408 4.234 4.689 . 0 0 "[ . 1 . 2 ]" 1
1132 1 101 ASP H 1 104 SER H 4.000 . 4.750 3.461 3.035 3.887 . 0 0 "[ . 1 . 2 ]" 1
1133 1 101 ASP H 1 104 SER QB 4.000 . 4.750 2.485 2.112 3.082 . 0 0 "[ . 1 . 2 ]" 1
1134 1 102 LEU HA 1 105 LEU H 4.000 . 4.750 3.120 2.844 3.363 . 0 0 "[ . 1 . 2 ]" 1
1135 1 102 LEU HA 1 105 LEU MD2 5.000 . 6.000 3.057 2.666 3.622 . 0 0 "[ . 1 . 2 ]" 1
1136 1 102 LEU HA 1 105 LEU QB 3.000 . 3.500 2.415 1.934 2.947 . 0 0 "[ . 1 . 2 ]" 1
1137 1 7 TYR H 1 11 MET ME 5.000 . 6.000 4.796 4.337 5.001 . 0 0 "[ . 1 . 2 ]" 1
1138 1 7 TYR HA 1 11 MET ME 4.000 . 4.750 2.401 2.020 2.611 . 0 0 "[ . 1 . 2 ]" 1
1139 1 7 TYR QD 1 11 MET HB3 5.000 . 6.000 3.505 3.190 3.681 . 0 0 "[ . 1 . 2 ]" 1
1140 1 7 TYR QD 1 11 MET HB2 4.000 . 4.750 4.246 4.115 4.306 . 0 0 "[ . 1 . 2 ]" 1
1141 1 7 TYR QD 1 11 MET ME 4.000 . 4.750 2.082 1.850 2.331 . 0 0 "[ . 1 . 2 ]" 1
1142 1 7 TYR QE 1 11 MET ME 5.000 . 6.000 3.504 3.180 3.746 . 0 0 "[ . 1 . 2 ]" 1
1143 1 28 VAL HB 1 32 LYS QG 4.000 . 4.750 3.467 2.615 4.256 . 0 0 "[ . 1 . 2 ]" 1
1144 1 33 MET HA 1 37 ALA MB 5.000 . 6.000 3.324 2.592 4.068 . 0 0 "[ . 1 . 2 ]" 1
1145 1 33 MET ME 1 37 ALA H 5.000 . 6.000 4.516 4.159 4.932 . 0 0 "[ . 1 . 2 ]" 1
1146 1 33 MET QB 1 37 ALA MB 4.000 . 4.750 2.053 1.712 3.453 0.088 5 0 "[ . 1 . 2 ]" 1
1147 1 33 MET QG 1 37 ALA MB 4.000 . 4.750 2.813 1.573 3.551 0.227 15 0 "[ . 1 . 2 ]" 1
1148 1 44 ARG HE 1 48 PHE HZ 5.000 . 6.000 3.904 2.027 6.021 0.021 15 0 "[ . 1 . 2 ]" 1
1149 1 44 ARG QB 1 48 PHE HZ 4.000 . 4.750 3.326 1.851 3.833 . 0 0 "[ . 1 . 2 ]" 1
1150 1 44 ARG QB 1 48 PHE QE 4.000 . 4.750 3.622 2.800 3.881 . 0 0 "[ . 1 . 2 ]" 1
1151 1 44 ARG QG 1 48 PHE HZ 3.000 . 3.500 2.201 1.747 3.150 0.053 3 0 "[ . 1 . 2 ]" 1
1152 1 44 ARG QG 1 48 PHE QE 4.000 . 4.750 2.312 1.831 3.509 . 0 0 "[ . 1 . 2 ]" 1
1153 1 44 ARG QD 1 48 PHE QE 4.000 . 4.750 2.945 2.145 3.767 . 0 0 "[ . 1 . 2 ]" 1
1154 1 70 LEU MD1 1 74 ALA MB 4.000 . 4.750 2.351 1.937 3.011 . 0 0 "[ . 1 . 2 ]" 1
1155 1 71 THR H 1 75 ILE H 4.000 . 4.750 4.281 3.790 4.626 . 0 0 "[ . 1 . 2 ]" 1
1156 1 73 GLU HA 1 77 GLN H 5.000 . 6.000 4.145 3.844 4.346 . 0 0 "[ . 1 . 2 ]" 1
1157 1 74 ALA HA 1 78 PHE H 4.000 . 4.750 4.288 4.055 4.390 . 0 0 "[ . 1 . 2 ]" 1
1158 1 76 SER HA 1 80 GLU H 4.000 . 4.750 4.232 4.040 4.355 . 0 0 "[ . 1 . 2 ]" 1
1159 1 77 GLN HA 1 81 LYS H 4.000 . 4.750 4.387 4.203 4.477 . 0 0 "[ . 1 . 2 ]" 1
1160 1 78 PHE HA 1 82 PRO HA 4.000 . 4.750 3.339 3.144 3.450 . 0 0 "[ . 1 . 2 ]" 1
1161 1 78 PHE QD 1 82 PRO HA 3.000 . 3.500 2.482 2.393 2.606 . 0 0 "[ . 1 . 2 ]" 1
1162 1 78 PHE QD 1 82 PRO HB3 4.000 . 4.750 3.725 3.637 3.902 . 0 0 "[ . 1 . 2 ]" 1
1163 1 78 PHE QE 1 82 PRO QG 5.000 . 6.000 4.092 4.009 4.286 . 0 0 "[ . 1 . 2 ]" 1
1164 1 78 PHE QE 1 82 PRO HA 4.000 . 4.750 2.540 2.391 2.686 . 0 0 "[ . 1 . 2 ]" 1
1165 1 78 PHE QE 1 82 PRO HB3 4.000 . 4.750 2.825 2.767 2.980 . 0 0 "[ . 1 . 2 ]" 1
1166 1 78 PHE QE 1 82 PRO HB2 3.000 . 3.500 2.931 2.751 3.104 . 0 0 "[ . 1 . 2 ]" 1
1167 1 78 PHE HZ 1 82 PRO HB3 4.000 . 4.750 2.560 2.505 2.713 . 0 0 "[ . 1 . 2 ]" 1
1168 1 78 PHE HZ 1 82 PRO HB2 4.000 . 4.750 2.892 2.737 3.150 . 0 0 "[ . 1 . 2 ]" 1
1169 1 86 THR H 1 90 ILE H 5.000 . 6.000 3.941 3.709 4.076 . 0 0 "[ . 1 . 2 ]" 1
1170 1 86 THR H 1 90 ILE MD 5.000 . 6.000 3.042 2.594 3.416 . 0 0 "[ . 1 . 2 ]" 1
1171 1 86 THR HB 1 90 ILE H 5.000 . 6.000 5.380 5.246 5.529 . 0 0 "[ . 1 . 2 ]" 1
1172 1 86 THR MG 1 90 ILE H 5.000 . 6.000 3.019 2.887 3.221 . 0 0 "[ . 1 . 2 ]" 1
1173 1 87 ALA HA 1 91 LYS H 4.000 . 4.750 3.997 3.801 4.208 . 0 0 "[ . 1 . 2 ]" 1
1174 1 88 SER HA 1 92 ALA H 4.000 . 4.750 4.279 4.145 4.396 . 0 0 "[ . 1 . 2 ]" 1
1175 1 89 LEU HG 1 93 TYR QD 5.000 . 6.000 2.282 1.894 2.894 . 0 0 "[ . 1 . 2 ]" 1
1176 1 89 LEU MD1 1 93 TYR H 5.000 . 6.000 4.757 4.484 4.942 . 0 0 "[ . 1 . 2 ]" 1
1177 1 89 LEU MD1 1 93 TYR QD 5.000 . 6.000 3.482 3.125 3.839 . 0 0 "[ . 1 . 2 ]" 1
1178 1 89 LEU MD2 1 93 TYR H 5.000 . 6.000 4.759 4.544 4.946 . 0 0 "[ . 1 . 2 ]" 1
1179 1 90 ILE MG 1 94 LYS H 5.000 . 6.000 4.063 3.838 4.327 . 0 0 "[ . 1 . 2 ]" 1
1180 1 90 ILE MG 1 94 LYS QE 4.000 . 4.750 3.329 2.635 3.542 . 0 0 "[ . 1 . 2 ]" 1
1181 1 91 LYS HA 1 95 MET H 4.000 . 4.750 3.770 3.620 4.033 . 0 0 "[ . 1 . 2 ]" 1
1182 1 92 ALA HA 1 96 ALA H 4.000 . 4.750 3.826 3.605 3.967 . 0 0 "[ . 1 . 2 ]" 1
1183 1 95 MET ME 1 99 THR MG 5.000 . 6.000 4.012 3.229 4.179 . 0 0 "[ . 1 . 2 ]" 1
1184 1 100 PRO HD3 1 104 SER QB 4.000 . 4.750 3.439 3.051 3.748 . 0 0 "[ . 1 . 2 ]" 1
1185 1 100 PRO HD2 1 104 SER QB 4.000 . 4.750 2.028 1.830 2.664 . 0 0 "[ . 1 . 2 ]" 1
1186 1 5 VAL MG1 1 11 MET ME 5.000 . 6.000 3.415 2.080 3.997 . 0 0 "[ . 1 . 2 ]" 1
1187 1 5 VAL MG1 1 68 THR HA 5.000 . 6.000 4.353 3.605 4.910 . 0 0 "[ . 1 . 2 ]" 1
1188 1 5 VAL MG2 1 68 THR HA 5.000 . 6.000 3.625 2.880 4.820 . 0 0 "[ . 1 . 2 ]" 1
1189 1 5 VAL MG1 1 69 PRO HD3 5.000 . 6.000 2.734 2.009 3.531 . 0 0 "[ . 1 . 2 ]" 1
1190 1 5 VAL MG1 1 69 PRO HD2 5.000 . 6.000 4.125 3.464 4.818 . 0 0 "[ . 1 . 2 ]" 1
1191 1 5 VAL MG1 1 69 PRO QB 5.000 . 6.000 2.603 1.847 3.474 . 0 0 "[ . 1 . 2 ]" 1
1192 1 5 VAL MG1 1 69 PRO QG 4.000 . 4.750 2.715 2.116 3.350 . 0 0 "[ . 1 . 2 ]" 1
1193 1 5 VAL MG2 1 69 PRO HD3 5.000 . 6.000 2.393 1.909 2.990 . 0 0 "[ . 1 . 2 ]" 1
1194 1 5 VAL MG2 1 69 PRO HD2 5.000 . 6.000 3.526 3.155 4.053 . 0 0 "[ . 1 . 2 ]" 1
1195 1 5 VAL MG2 1 69 PRO QG 4.000 . 4.750 2.798 1.695 3.533 0.105 18 0 "[ . 1 . 2 ]" 1
1196 1 7 TYR QD 1 13 VAL MG1 3.000 . 3.500 2.012 1.852 2.165 . 0 0 "[ . 1 . 2 ]" 1
1197 1 7 TYR QD 1 13 VAL MG2 5.000 . 6.000 4.051 3.887 4.159 . 0 0 "[ . 1 . 2 ]" 1
1198 1 7 TYR QE 1 13 VAL HA 5.000 . 6.000 4.304 3.966 4.631 . 0 0 "[ . 1 . 2 ]" 1
1199 1 7 TYR QE 1 13 VAL HB 4.000 . 4.750 3.347 3.081 3.541 . 0 0 "[ . 1 . 2 ]" 1
1200 1 7 TYR QE 1 13 VAL MG1 3.000 . 3.500 2.548 2.369 2.619 . 0 0 "[ . 1 . 2 ]" 1
1201 1 7 TYR QE 1 13 VAL MG2 5.000 . 6.000 4.403 4.231 4.478 . 0 0 "[ . 1 . 2 ]" 1
1202 1 7 TYR H 1 27 VAL MG2 5.000 . 6.000 4.753 4.562 4.977 . 0 0 "[ . 1 . 2 ]" 1
1203 1 7 TYR HA 1 27 VAL MG2 5.000 . 6.000 3.736 3.463 4.119 . 0 0 "[ . 1 . 2 ]" 1
1204 1 7 TYR HB3 1 27 VAL MG1 4.000 . 4.750 2.757 2.460 2.954 . 0 0 "[ . 1 . 2 ]" 1
1205 1 7 TYR HB3 1 27 VAL MG2 4.000 . 4.750 1.861 1.714 2.160 0.086 17 0 "[ . 1 . 2 ]" 1
1206 1 7 TYR QD 1 27 VAL MG1 5.000 . 6.000 4.328 4.019 4.466 . 0 0 "[ . 1 . 2 ]" 1
1207 1 7 TYR QD 1 27 VAL MG2 4.000 . 4.750 3.041 2.713 3.213 . 0 0 "[ . 1 . 2 ]" 1
1208 1 7 TYR QE 1 27 VAL MG2 5.000 . 6.000 4.419 4.108 4.513 . 0 0 "[ . 1 . 2 ]" 1
1209 1 7 TYR H 1 49 TYR QD 5.000 . 6.000 4.770 4.338 5.107 . 0 0 "[ . 1 . 2 ]" 1
1210 1 7 TYR H 1 49 TYR QE 4.000 . 4.750 3.266 2.812 3.684 . 0 0 "[ . 1 . 2 ]" 1
1211 1 7 TYR HB3 1 49 TYR QD 4.000 . 4.750 3.760 3.456 3.921 . 0 0 "[ . 1 . 2 ]" 1
1212 1 7 TYR HB3 1 49 TYR QE 4.000 . 4.750 4.281 4.246 4.314 . 0 0 "[ . 1 . 2 ]" 1
1213 1 7 TYR HB2 1 49 TYR QD 4.000 . 4.750 2.986 2.671 3.329 . 0 0 "[ . 1 . 2 ]" 1
1214 1 7 TYR HB2 1 49 TYR QE 4.000 . 4.750 2.705 2.540 2.875 . 0 0 "[ . 1 . 2 ]" 1
1215 1 7 TYR QD 1 49 TYR QD 4.000 . 4.750 2.979 2.686 3.514 . 0 0 "[ . 1 . 2 ]" 1
1216 1 7 TYR QD 1 49 TYR QE 3.000 . 3.500 1.963 1.801 2.797 . 0 0 "[ . 1 . 2 ]" 1
1217 1 7 TYR QE 1 49 TYR QD 5.000 . 6.000 4.574 4.379 4.781 . 0 0 "[ . 1 . 2 ]" 1
1218 1 7 TYR QE 1 49 TYR QE 5.000 . 6.000 3.876 3.696 4.253 . 0 0 "[ . 1 . 2 ]" 1
1219 1 7 TYR QD 1 64 SER HA 5.000 . 6.000 3.309 2.813 4.496 . 0 0 "[ . 1 . 2 ]" 1
1220 1 7 TYR QD 1 64 SER QB 5.000 . 6.000 2.998 2.325 4.514 . 0 0 "[ . 1 . 2 ]" 1
1221 1 7 TYR QE 1 64 SER HA 4.000 . 4.750 2.945 2.521 3.268 . 0 0 "[ . 1 . 2 ]" 1
1222 1 7 TYR QE 1 64 SER QB 4.000 . 4.750 3.087 2.440 3.761 . 0 0 "[ . 1 . 2 ]" 1
1223 1 7 TYR HB3 1 67 LEU MD1 5.000 . 6.000 4.207 3.728 4.874 . 0 0 "[ . 1 . 2 ]" 1
1224 1 7 TYR HB2 1 67 LEU MD1 5.000 . 6.000 4.039 3.725 4.613 . 0 0 "[ . 1 . 2 ]" 1
1225 1 7 TYR QD 1 67 LEU HB2 5.000 . 6.000 4.231 3.793 5.073 . 0 0 "[ . 1 . 2 ]" 1
1226 1 7 TYR QD 1 67 LEU MD1 5.000 . 6.000 3.330 2.926 3.523 . 0 0 "[ . 1 . 2 ]" 1
1227 1 7 TYR QD 1 67 LEU MD2 5.000 . 6.000 4.235 3.881 4.464 . 0 0 "[ . 1 . 2 ]" 1
1228 1 7 TYR QE 1 67 LEU H 5.000 . 6.000 4.405 4.106 5.069 . 0 0 "[ . 1 . 2 ]" 1
1229 1 7 TYR QE 1 67 LEU HB2 4.000 . 4.750 3.288 2.993 3.685 . 0 0 "[ . 1 . 2 ]" 1
1230 1 7 TYR QE 1 67 LEU HG 5.000 . 6.000 5.380 5.235 5.440 . 0 0 "[ . 1 . 2 ]" 1
1231 1 7 TYR QE 1 67 LEU MD1 5.000 . 6.000 3.832 3.461 4.013 . 0 0 "[ . 1 . 2 ]" 1
1232 1 7 TYR QE 1 67 LEU MD2 5.000 . 6.000 4.082 3.667 4.362 . 0 0 "[ . 1 . 2 ]" 1
1233 1 7 TYR QE 1 68 THR H 5.000 . 6.000 4.466 4.276 4.625 . 0 0 "[ . 1 . 2 ]" 1
1234 1 7 TYR QE 1 68 THR HA 5.000 . 6.000 3.576 3.376 3.792 . 0 0 "[ . 1 . 2 ]" 1
1235 1 7 TYR QD 1 69 PRO HA 5.000 . 6.000 3.799 3.603 4.006 . 0 0 "[ . 1 . 2 ]" 1
1236 1 7 TYR QE 1 69 PRO HA 4.000 . 4.750 2.199 1.839 2.554 . 0 0 "[ . 1 . 2 ]" 1
1237 1 7 TYR QE 1 69 PRO HD3 4.000 . 4.750 2.990 2.695 3.148 . 0 0 "[ . 1 . 2 ]" 1
1238 1 7 TYR QE 1 69 PRO HD2 4.000 . 4.750 4.242 4.066 4.297 . 0 0 "[ . 1 . 2 ]" 1
1239 1 7 TYR QE 1 69 PRO QB 4.000 . 4.750 2.610 2.474 2.799 . 0 0 "[ . 1 . 2 ]" 1
1240 1 7 TYR QE 1 69 PRO QG 4.000 . 4.750 3.804 3.773 3.834 . 0 0 "[ . 1 . 2 ]" 1
1241 1 7 TYR QE 1 70 LEU H 5.000 . 6.000 4.285 3.872 4.679 . 0 0 "[ . 1 . 2 ]" 1
1242 1 8 LYS H 1 27 VAL MG1 5.000 . 6.000 4.063 3.708 4.541 . 0 0 "[ . 1 . 2 ]" 1
1243 1 8 LYS H 1 27 VAL MG2 5.000 . 6.000 3.842 3.491 4.256 . 0 0 "[ . 1 . 2 ]" 1
1244 1 9 PRO HA 1 27 VAL MG1 5.000 . 6.000 2.868 2.424 3.331 . 0 0 "[ . 1 . 2 ]" 1
1245 1 9 PRO QD 1 27 VAL MG1 5.000 . 6.000 3.769 3.565 4.060 . 0 0 "[ . 1 . 2 ]" 1
1246 1 9 PRO HA 1 29 THR MG 5.000 . 6.000 3.529 3.365 3.714 . 0 0 "[ . 1 . 2 ]" 1
1247 1 9 PRO QB 1 29 THR MG 4.000 . 4.750 2.109 1.935 2.310 . 0 0 "[ . 1 . 2 ]" 1
1248 1 9 PRO QG 1 29 THR MG 4.000 . 4.750 3.202 2.919 3.435 . 0 0 "[ . 1 . 2 ]" 1
1249 1 9 PRO QD 1 29 THR MG 5.000 . 6.000 3.915 3.558 4.255 . 0 0 "[ . 1 . 2 ]" 1
1250 1 10 GLY H 1 26 MET ME 5.000 . 6.000 5.044 4.992 5.097 . 0 0 "[ . 1 . 2 ]" 1
1251 1 10 GLY H 1 26 MET QG 4.000 . 4.750 2.815 2.486 2.982 . 0 0 "[ . 1 . 2 ]" 1
1252 1 10 GLY HA2 1 26 MET ME 4.000 . 4.750 4.826 4.562 5.081 0.331 17 0 "[ . 1 . 2 ]" 1
1253 1 10 GLY H 1 27 VAL H 5.000 . 6.000 3.731 3.509 3.919 . 0 0 "[ . 1 . 2 ]" 1
1254 1 10 GLY H 1 27 VAL HB 4.000 . 4.750 3.271 2.944 3.528 . 0 0 "[ . 1 . 2 ]" 1
1255 1 10 GLY H 1 27 VAL MG1 5.000 . 6.000 3.993 3.694 4.288 . 0 0 "[ . 1 . 2 ]" 1
1256 1 10 GLY H 1 27 VAL MG2 5.000 . 6.000 4.661 4.332 4.884 . 0 0 "[ . 1 . 2 ]" 1
1257 1 10 GLY H 1 28 VAL H 5.000 . 6.000 4.884 4.738 5.107 . 0 0 "[ . 1 . 2 ]" 1
1258 1 10 GLY H 1 28 VAL MG1 5.000 . 6.000 3.797 3.608 4.032 . 0 0 "[ . 1 . 2 ]" 1
1259 1 10 GLY H 1 29 THR MG 5.000 . 6.000 4.875 4.641 5.016 . 0 0 "[ . 1 . 2 ]" 1
1260 1 10 GLY H 1 102 LEU HB2 5.000 . 6.000 3.385 3.045 3.810 . 0 0 "[ . 1 . 2 ]" 1
1261 1 10 GLY H 1 102 LEU HG 5.000 . 6.000 5.414 4.300 5.935 . 0 0 "[ . 1 . 2 ]" 1
1262 1 10 GLY H 1 102 LEU MD1 5.000 . 6.000 3.670 1.947 4.704 . 0 0 "[ . 1 . 2 ]" 1
1263 1 10 GLY H 1 102 LEU MD2 5.000 . 6.000 3.864 3.292 4.832 . 0 0 "[ . 1 . 2 ]" 1
1264 1 10 GLY HA3 1 102 LEU H 4.000 . 4.750 2.073 1.818 2.597 . 0 0 "[ . 1 . 2 ]" 1
1265 1 10 GLY HA3 1 102 LEU HB3 5.000 . 6.000 2.545 1.952 3.675 . 0 0 "[ . 1 . 2 ]" 1
1266 1 10 GLY HA3 1 102 LEU HB2 4.000 . 4.750 1.884 1.830 2.009 . 0 0 "[ . 1 . 2 ]" 1
1267 1 10 GLY HA3 1 102 LEU HG 4.000 . 4.750 4.125 3.323 4.511 . 0 0 "[ . 1 . 2 ]" 1
1268 1 10 GLY HA3 1 102 LEU MD1 5.000 . 6.000 3.233 1.848 3.943 . 0 0 "[ . 1 . 2 ]" 1
1269 1 10 GLY HA3 1 102 LEU MD2 5.000 . 6.000 3.621 3.100 4.224 . 0 0 "[ . 1 . 2 ]" 1
1270 1 10 GLY HA2 1 102 LEU H 4.000 . 4.750 2.407 2.034 2.956 . 0 0 "[ . 1 . 2 ]" 1
1271 1 10 GLY HA2 1 102 LEU HB2 4.000 . 4.750 2.887 2.186 3.284 . 0 0 "[ . 1 . 2 ]" 1
1272 1 10 GLY HA2 1 102 LEU MD1 5.000 . 6.000 4.144 2.781 4.872 . 0 0 "[ . 1 . 2 ]" 1
1273 1 11 MET HA 1 26 MET ME 5.000 . 6.000 4.897 4.037 5.045 . 0 0 "[ . 1 . 2 ]" 1
1274 1 11 MET H 1 27 VAL H 5.000 . 6.000 3.480 3.270 3.600 . 0 0 "[ . 1 . 2 ]" 1
1275 1 11 MET H 1 27 VAL HB 3.000 . 3.500 3.032 2.816 3.196 . 0 0 "[ . 1 . 2 ]" 1
1276 1 11 MET H 1 27 VAL MG1 5.000 . 6.000 4.340 4.124 4.522 . 0 0 "[ . 1 . 2 ]" 1
1277 1 11 MET H 1 27 VAL MG2 5.000 . 6.000 4.085 3.682 4.372 . 0 0 "[ . 1 . 2 ]" 1
1278 1 11 MET ME 1 69 PRO HA 5.000 . 6.000 3.789 3.514 3.953 . 0 0 "[ . 1 . 2 ]" 1
1279 1 12 ARG QB 1 24 PRO HA 5.000 . 6.000 5.260 5.088 5.365 . 0 0 "[ . 1 . 2 ]" 1
1280 1 12 ARG H 1 26 MET ME 5.000 . 6.000 4.199 2.955 4.510 . 0 0 "[ . 1 . 2 ]" 1
1281 1 12 ARG HA 1 26 MET HA 3.000 . 3.500 2.292 2.022 2.570 . 0 0 "[ . 1 . 2 ]" 1
1282 1 12 ARG QB 1 70 LEU MD2 4.000 . 4.750 2.163 1.873 2.491 . 0 0 "[ . 1 . 2 ]" 1
1283 1 13 VAL H 1 24 PRO HA 5.000 . 6.000 5.105 4.749 5.253 . 0 0 "[ . 1 . 2 ]" 1
1284 1 13 VAL H 1 25 SER H 4.000 . 4.750 3.620 3.455 3.733 . 0 0 "[ . 1 . 2 ]" 1
1285 1 13 VAL H 1 25 SER HA 5.000 . 6.000 4.880 4.790 4.981 . 0 0 "[ . 1 . 2 ]" 1
1286 1 13 VAL MG2 1 25 SER H 5.000 . 6.000 3.507 3.374 3.665 . 0 0 "[ . 1 . 2 ]" 1
1287 1 13 VAL MG2 1 25 SER HA 5.000 . 6.000 4.612 4.466 4.804 . 0 0 "[ . 1 . 2 ]" 1
1288 1 13 VAL MG2 1 25 SER HG 5.000 . 6.000 2.735 2.004 4.969 . 0 0 "[ . 1 . 2 ]" 1
1289 1 13 VAL MG2 1 25 SER QB 5.000 . 6.000 3.682 3.026 3.969 . 0 0 "[ . 1 . 2 ]" 1
1290 1 13 VAL H 1 26 MET HA 4.000 . 4.750 2.277 2.062 2.522 . 0 0 "[ . 1 . 2 ]" 1
1291 1 13 VAL MG2 1 26 MET H 5.000 . 6.000 4.192 4.021 4.359 . 0 0 "[ . 1 . 2 ]" 1
1292 1 13 VAL MG2 1 26 MET HA 5.000 . 6.000 2.634 2.409 2.890 . 0 0 "[ . 1 . 2 ]" 1
1293 1 13 VAL H 1 27 VAL H 5.000 . 6.000 3.766 3.601 4.015 . 0 0 "[ . 1 . 2 ]" 1
1294 1 13 VAL MG2 1 27 VAL H 5.000 . 6.000 2.965 2.657 3.251 . 0 0 "[ . 1 . 2 ]" 1
1295 1 13 VAL MG2 1 27 VAL HB 5.000 . 6.000 4.195 3.949 4.585 . 0 0 "[ . 1 . 2 ]" 1
1296 1 13 VAL MG2 1 27 VAL MG1 5.000 . 6.000 4.154 4.038 4.190 . 0 0 "[ . 1 . 2 ]" 1
1297 1 13 VAL MG2 1 27 VAL MG2 5.000 . 6.000 1.947 1.765 2.171 0.035 5 0 "[ . 1 . 2 ]" 1
1298 1 13 VAL MG2 1 51 VAL HB 5.000 . 6.000 3.394 3.151 3.605 . 0 0 "[ . 1 . 2 ]" 1
1299 1 13 VAL MG2 1 62 THR MG 5.000 . 6.000 3.920 3.689 4.097 . 0 0 "[ . 1 . 2 ]" 1
1300 1 13 VAL HB 1 67 LEU MD1 5.000 . 6.000 4.604 4.282 4.922 . 0 0 "[ . 1 . 2 ]" 1
1301 1 13 VAL HB 1 67 LEU MD2 4.000 . 4.750 2.642 2.253 2.900 . 0 0 "[ . 1 . 2 ]" 1
1302 1 13 VAL MG2 1 67 LEU MD1 5.000 . 6.000 3.204 2.784 3.527 . 0 0 "[ . 1 . 2 ]" 1
1303 1 13 VAL MG2 1 67 LEU MD2 3.000 . 3.500 1.840 1.669 2.112 0.131 23 0 "[ . 1 . 2 ]" 1
1304 1 13 VAL HA 1 68 THR MG 5.000 . 6.000 4.056 3.978 4.122 . 0 0 "[ . 1 . 2 ]" 1
1305 1 13 VAL HB 1 68 THR H 3.000 . 3.500 3.344 3.064 3.526 0.026 12 0 "[ . 1 . 2 ]" 1
1306 1 13 VAL MG2 1 68 THR H 5.000 . 6.000 3.920 3.626 4.234 . 0 0 "[ . 1 . 2 ]" 1
1307 1 13 VAL HA 1 69 PRO HA 3.000 . 3.500 2.837 2.738 2.932 . 0 0 "[ . 1 . 2 ]" 1
1308 1 13 VAL MG1 1 69 PRO HA 4.000 . 4.750 2.583 2.278 2.732 . 0 0 "[ . 1 . 2 ]" 1
1309 1 13 VAL MG1 1 69 PRO QB 5.000 . 6.000 3.812 3.573 3.942 . 0 0 "[ . 1 . 2 ]" 1
1310 1 13 VAL MG2 1 69 PRO HA 5.000 . 6.000 4.652 4.478 4.838 . 0 0 "[ . 1 . 2 ]" 1
1311 1 13 VAL H 1 70 LEU MD2 5.000 . 6.000 3.501 3.155 3.859 . 0 0 "[ . 1 . 2 ]" 1
1312 1 13 VAL H 1 70 LEU QB 4.000 . 4.750 3.374 3.179 3.614 . 0 0 "[ . 1 . 2 ]" 1
1313 1 13 VAL HA 1 70 LEU H 4.000 . 4.750 1.826 1.799 1.845 0.001 5 0 "[ . 1 . 2 ]" 1
1314 1 13 VAL HA 1 70 LEU MD1 5.000 . 6.000 4.559 4.421 4.698 . 0 0 "[ . 1 . 2 ]" 1
1315 1 13 VAL HA 1 70 LEU MD2 5.000 . 6.000 3.699 3.491 3.874 . 0 0 "[ . 1 . 2 ]" 1
1316 1 13 VAL HA 1 70 LEU QB 4.000 . 4.750 2.040 1.839 2.263 . 0 0 "[ . 1 . 2 ]" 1
1317 1 13 VAL MG1 1 70 LEU H 4.000 . 4.750 2.992 2.802 3.161 . 0 0 "[ . 1 . 2 ]" 1
1318 1 14 LEU H 1 22 TRP HE3 4.000 . 4.750 4.093 3.908 4.249 . 0 0 "[ . 1 . 2 ]" 1
1319 1 14 LEU MD1 1 22 TRP H 5.000 . 6.000 4.364 4.126 4.698 . 0 0 "[ . 1 . 2 ]" 1
1320 1 14 LEU MD1 1 22 TRP HA 5.000 . 6.000 4.185 4.014 4.517 . 0 0 "[ . 1 . 2 ]" 1
1321 1 14 LEU MD1 1 22 TRP HB3 4.000 . 4.750 2.040 1.828 2.445 . 0 0 "[ . 1 . 2 ]" 1
1322 1 14 LEU MD1 1 22 TRP HB2 4.000 . 4.750 2.274 1.906 2.699 . 0 0 "[ . 1 . 2 ]" 1
1323 1 14 LEU MD1 1 22 TRP HD1 5.000 . 6.000 4.267 3.964 4.859 . 0 0 "[ . 1 . 2 ]" 1
1324 1 14 LEU MD1 1 22 TRP HE3 4.000 . 4.750 3.486 3.325 3.657 . 0 0 "[ . 1 . 2 ]" 1
1325 1 14 LEU MD2 1 22 TRP HB3 5.000 . 6.000 2.110 1.965 2.305 . 0 0 "[ . 1 . 2 ]" 1
1326 1 14 LEU MD2 1 22 TRP HB2 5.000 . 6.000 2.874 2.649 3.218 . 0 0 "[ . 1 . 2 ]" 1
1327 1 14 LEU MD2 1 22 TRP HE3 5.000 . 6.000 3.391 3.236 3.580 . 0 0 "[ . 1 . 2 ]" 1
1328 1 14 LEU QB 1 22 TRP HE3 3.000 . 3.500 1.853 1.810 1.909 . 0 0 "[ . 1 . 2 ]" 1
1329 1 14 LEU MD2 1 23 TRP H 5.000 . 6.000 2.659 2.507 2.844 . 0 0 "[ . 1 . 2 ]" 1
1330 1 14 LEU HA 1 24 PRO HA 3.000 . 3.500 2.942 2.686 3.193 . 0 0 "[ . 1 . 2 ]" 1
1331 1 14 LEU MD2 1 24 PRO HA 4.000 . 4.750 2.053 1.831 2.327 . 0 0 "[ . 1 . 2 ]" 1
1332 1 14 LEU MD2 1 24 PRO HG3 5.000 . 6.000 4.364 4.094 4.627 . 0 0 "[ . 1 . 2 ]" 1
1333 1 14 LEU MD2 1 24 PRO QD 5.000 . 6.000 2.803 2.646 2.942 . 0 0 "[ . 1 . 2 ]" 1
1334 1 14 LEU HA 1 25 SER H 5.000 . 6.000 2.841 2.656 2.973 . 0 0 "[ . 1 . 2 ]" 1
1335 1 14 LEU MD2 1 25 SER H 5.000 . 6.000 3.327 3.172 3.540 . 0 0 "[ . 1 . 2 ]" 1
1336 1 14 LEU H 1 67 LEU HA 5.000 . 6.000 4.667 4.265 5.005 . 0 0 "[ . 1 . 2 ]" 1
1337 1 14 LEU H 1 68 THR H 3.000 . 3.500 2.889 2.614 3.098 . 0 0 "[ . 1 . 2 ]" 1
1338 1 14 LEU H 1 68 THR MG 4.000 . 4.750 2.257 2.071 2.408 . 0 0 "[ . 1 . 2 ]" 1
1339 1 14 LEU QB 1 68 THR MG 4.000 . 4.750 1.652 1.613 1.702 0.187 8 0 "[ . 1 . 2 ]" 1
1340 1 14 LEU H 1 70 LEU H 4.000 . 4.750 3.658 3.546 3.731 . 0 0 "[ . 1 . 2 ]" 1
1341 1 14 LEU H 1 70 LEU QB 4.000 . 4.750 2.831 2.623 3.015 . 0 0 "[ . 1 . 2 ]" 1
1342 1 14 LEU HG 1 70 LEU MD2 5.000 . 6.000 2.900 2.287 3.553 . 0 0 "[ . 1 . 2 ]" 1
1343 1 14 LEU MD1 1 70 LEU QB 5.000 . 6.000 3.443 3.198 3.600 . 0 0 "[ . 1 . 2 ]" 1
1344 1 14 LEU MD2 1 70 LEU QB 4.000 . 4.750 3.585 3.565 3.601 . 0 0 "[ . 1 . 2 ]" 1
1345 1 14 LEU MD1 1 74 ALA MB 5.000 . 6.000 3.912 3.598 4.155 . 0 0 "[ . 1 . 2 ]" 1
1346 1 14 LEU MD2 1 89 LEU MD1 5.000 . 6.000 3.799 3.498 4.074 . 0 0 "[ . 1 . 2 ]" 1
1347 1 15 THR HA 1 22 TRP HE3 5.000 . 6.000 3.448 3.154 3.719 . 0 0 "[ . 1 . 2 ]" 1
1348 1 15 THR HA 1 22 TRP HZ3 4.000 . 4.750 3.706 3.395 3.991 . 0 0 "[ . 1 . 2 ]" 1
1349 1 15 THR HA 1 22 TRP HH2 5.000 . 6.000 5.717 5.225 6.025 0.025 18 0 "[ . 1 . 2 ]" 1
1350 1 15 THR H 1 23 TRP H 4.000 . 4.750 2.691 2.385 2.915 . 0 0 "[ . 1 . 2 ]" 1
1351 1 15 THR H 1 23 TRP QB 4.000 . 4.750 3.428 3.263 3.590 . 0 0 "[ . 1 . 2 ]" 1
1352 1 15 THR HB 1 23 TRP H 5.000 . 6.000 4.261 3.531 4.562 . 0 0 "[ . 1 . 2 ]" 1
1353 1 15 THR MG 1 23 TRP H 5.000 . 6.000 4.786 4.612 4.983 . 0 0 "[ . 1 . 2 ]" 1
1354 1 15 THR H 1 24 PRO HA 5.000 . 6.000 4.179 4.008 4.356 . 0 0 "[ . 1 . 2 ]" 1
1355 1 15 THR H 1 25 SER H 5.000 . 6.000 3.478 3.296 3.700 . 0 0 "[ . 1 . 2 ]" 1
1356 1 15 THR H 1 25 SER HG 4.000 . 4.750 3.464 2.458 4.649 . 0 0 "[ . 1 . 2 ]" 1
1357 1 15 THR HG1 1 25 SER H 5.000 . 6.000 3.660 2.911 4.304 . 0 0 "[ . 1 . 2 ]" 1
1358 1 15 THR HG1 1 25 SER HG 4.000 . 4.750 2.442 1.845 3.209 . 0 0 "[ . 1 . 2 ]" 1
1359 1 15 THR HG1 1 25 SER QB 5.000 . 6.000 2.100 1.847 2.794 . 0 0 "[ . 1 . 2 ]" 1
1360 1 15 THR MG 1 25 SER H 5.000 . 6.000 4.190 3.876 5.052 . 0 0 "[ . 1 . 2 ]" 1
1361 1 15 THR MG 1 25 SER QB 5.000 . 6.000 2.919 2.317 3.320 . 0 0 "[ . 1 . 2 ]" 1
1362 1 15 THR HB 1 51 VAL MG1 5.000 . 6.000 4.614 4.222 4.874 . 0 0 "[ . 1 . 2 ]" 1
1363 1 15 THR HB 1 51 VAL MG2 5.000 . 6.000 3.694 3.471 3.888 . 0 0 "[ . 1 . 2 ]" 1
1364 1 15 THR HG1 1 51 VAL MG1 5.000 . 6.000 4.570 4.051 4.998 . 0 0 "[ . 1 . 2 ]" 1
1365 1 15 THR MG 1 51 VAL MG2 5.000 . 6.000 1.966 1.804 2.226 . 0 0 "[ . 1 . 2 ]" 1
1366 1 15 THR HA 1 53 PHE HZ 5.000 . 6.000 4.640 4.502 4.847 . 0 0 "[ . 1 . 2 ]" 1
1367 1 15 THR HB 1 53 PHE HZ 4.000 . 4.750 2.129 1.835 2.512 . 0 0 "[ . 1 . 2 ]" 1
1368 1 15 THR HB 1 53 PHE QD 5.000 . 6.000 5.069 4.481 5.306 . 0 0 "[ . 1 . 2 ]" 1
1369 1 15 THR HB 1 53 PHE QE 4.000 . 4.750 3.052 2.775 3.219 . 0 0 "[ . 1 . 2 ]" 1
1370 1 15 THR HG1 1 53 PHE HZ 5.000 . 6.000 2.972 2.416 3.617 . 0 0 "[ . 1 . 2 ]" 1
1371 1 15 THR MG 1 53 PHE HZ 4.000 . 4.750 3.298 2.646 3.670 . 0 0 "[ . 1 . 2 ]" 1
1372 1 15 THR MG 1 53 PHE QD 5.000 . 6.000 4.200 3.918 4.466 . 0 0 "[ . 1 . 2 ]" 1
1373 1 15 THR MG 1 53 PHE QE 4.000 . 4.750 2.518 2.265 2.864 . 0 0 "[ . 1 . 2 ]" 1
1374 1 15 THR MG 1 60 LEU MD2 4.000 . 4.750 2.583 1.767 2.944 0.033 4 0 "[ . 1 . 2 ]" 1
1375 1 15 THR HA 1 62 THR MG 5.000 . 6.000 3.663 3.529 3.763 . 0 0 "[ . 1 . 2 ]" 1
1376 1 15 THR HA 1 67 LEU HA 3.000 . 3.500 2.721 2.631 2.805 . 0 0 "[ . 1 . 2 ]" 1
1377 1 15 THR HA 1 67 LEU MD1 5.000 . 6.000 4.750 4.520 4.997 . 0 0 "[ . 1 . 2 ]" 1
1378 1 15 THR HA 1 67 LEU MD2 5.000 . 6.000 2.458 2.006 3.204 . 0 0 "[ . 1 . 2 ]" 1
1379 1 15 THR HB 1 67 LEU MD2 5.000 . 6.000 3.739 3.368 3.991 . 0 0 "[ . 1 . 2 ]" 1
1380 1 15 THR HG1 1 67 LEU MD2 5.000 . 6.000 3.902 3.587 4.413 . 0 0 "[ . 1 . 2 ]" 1
1381 1 15 THR MG 1 67 LEU HA 5.000 . 6.000 3.109 2.586 3.408 . 0 0 "[ . 1 . 2 ]" 1
1382 1 15 THR MG 1 67 LEU MD1 5.000 . 6.000 2.998 2.826 3.125 . 0 0 "[ . 1 . 2 ]" 1
1383 1 15 THR MG 1 67 LEU MD2 4.000 . 4.750 1.641 1.559 1.815 0.241 13 0 "[ . 1 . 2 ]" 1
1384 1 15 THR HA 1 68 THR H 5.000 . 6.000 3.749 3.601 3.948 . 0 0 "[ . 1 . 2 ]" 1
1385 1 15 THR HA 1 68 THR MG 5.000 . 6.000 4.301 4.100 4.481 . 0 0 "[ . 1 . 2 ]" 1
1386 1 16 LYS H 1 22 TRP HE3 4.000 . 4.750 3.146 2.922 3.349 . 0 0 "[ . 1 . 2 ]" 1
1387 1 16 LYS H 1 22 TRP HZ3 4.000 . 4.750 3.361 3.010 3.857 . 0 0 "[ . 1 . 2 ]" 1
1388 1 16 LYS HA 1 22 TRP HE1 5.000 . 6.000 5.411 5.187 5.657 . 0 0 "[ . 1 . 2 ]" 1
1389 1 16 LYS QB 1 22 TRP HD1 5.000 . 6.000 4.370 3.122 5.257 . 0 0 "[ . 1 . 2 ]" 1
1390 1 16 LYS QB 1 22 TRP HE1 5.000 . 6.000 3.838 2.963 4.539 . 0 0 "[ . 1 . 2 ]" 1
1391 1 16 LYS QB 1 22 TRP HZ2 5.000 . 6.000 3.587 3.371 3.841 . 0 0 "[ . 1 . 2 ]" 1
1392 1 16 LYS QG 1 22 TRP HD1 5.000 . 6.000 4.062 3.283 5.364 . 0 0 "[ . 1 . 2 ]" 1
1393 1 16 LYS QG 1 22 TRP HE1 5.000 . 6.000 3.256 2.476 4.575 . 0 0 "[ . 1 . 2 ]" 1
1394 1 16 LYS QG 1 22 TRP HE3 4.000 . 4.750 4.144 3.831 4.253 . 0 0 "[ . 1 . 2 ]" 1
1395 1 16 LYS QG 1 22 TRP HZ2 5.000 . 6.000 3.245 2.897 3.946 . 0 0 "[ . 1 . 2 ]" 1
1396 1 16 LYS QG 1 22 TRP HZ3 5.000 . 6.000 4.403 3.510 4.802 . 0 0 "[ . 1 . 2 ]" 1
1397 1 16 LYS QG 1 22 TRP HH2 4.000 . 4.750 4.025 3.010 4.323 . 0 0 "[ . 1 . 2 ]" 1
1398 1 16 LYS QD 1 22 TRP HD1 5.000 . 6.000 4.811 4.027 5.379 . 0 0 "[ . 1 . 2 ]" 1
1399 1 16 LYS QD 1 22 TRP HE1 5.000 . 6.000 3.508 2.340 4.430 . 0 0 "[ . 1 . 2 ]" 1
1400 1 16 LYS QE 1 22 TRP HD1 5.000 . 6.000 5.284 4.341 5.381 . 0 0 "[ . 1 . 2 ]" 1
1401 1 16 LYS QE 1 22 TRP HE1 5.000 . 6.000 4.535 2.293 5.277 . 0 0 "[ . 1 . 2 ]" 1
1402 1 16 LYS HA 1 23 TRP H 5.000 . 6.000 3.346 2.998 3.540 . 0 0 "[ . 1 . 2 ]" 1
1403 1 16 LYS H 1 62 THR MG 5.000 . 6.000 4.972 4.761 5.025 . 0 0 "[ . 1 . 2 ]" 1
1404 1 16 LYS H 1 66 SER HA 4.000 . 4.750 4.282 3.937 4.518 . 0 0 "[ . 1 . 2 ]" 1
1405 1 16 LYS H 1 66 SER QB 4.000 . 4.750 3.329 2.867 3.852 . 0 0 "[ . 1 . 2 ]" 1
1406 1 16 LYS QB 1 66 SER QB 4.000 . 4.750 3.028 2.326 3.788 . 0 0 "[ . 1 . 2 ]" 1
1407 1 16 LYS QD 1 66 SER HA 5.000 . 6.000 3.756 2.050 4.810 . 0 0 "[ . 1 . 2 ]" 1
1408 1 16 LYS QD 1 66 SER QB 4.000 . 4.750 3.357 1.963 3.794 . 0 0 "[ . 1 . 2 ]" 1
1409 1 16 LYS H 1 67 LEU HA 5.000 . 6.000 3.663 3.403 4.013 . 0 0 "[ . 1 . 2 ]" 1
1410 1 16 LYS H 1 67 LEU MD2 5.000 . 6.000 4.189 3.679 4.943 . 0 0 "[ . 1 . 2 ]" 1
1411 1 17 MET HB2 1 23 TRP QB 4.000 . 4.750 4.216 3.867 4.306 . 0 0 "[ . 1 . 2 ]" 1
1412 1 17 MET ME 1 23 TRP HE3 5.000 . 6.000 4.565 3.836 5.067 . 0 0 "[ . 1 . 2 ]" 1
1413 1 17 MET ME 1 53 PHE HZ 5.000 . 6.000 3.001 1.714 4.381 0.086 17 0 "[ . 1 . 2 ]" 1
1414 1 17 MET ME 1 53 PHE QD 5.000 . 6.000 3.903 3.432 4.457 . 0 0 "[ . 1 . 2 ]" 1
1415 1 17 MET ME 1 53 PHE QE 5.000 . 6.000 2.644 2.028 3.212 . 0 0 "[ . 1 . 2 ]" 1
1416 1 17 MET QG 1 53 PHE HZ 4.000 . 4.750 3.966 3.386 4.273 . 0 0 "[ . 1 . 2 ]" 1
1417 1 17 MET ME 1 60 LEU MD1 5.000 . 6.000 2.341 1.775 3.765 0.025 14 0 "[ . 1 . 2 ]" 1
1418 1 17 MET QG 1 60 LEU MD2 4.000 . 4.750 3.049 2.445 3.507 . 0 0 "[ . 1 . 2 ]" 1
1419 1 21 PRO HB3 1 84 PRO QD 5.000 . 6.000 2.658 1.865 3.202 . 0 0 "[ . 1 . 2 ]" 1
1420 1 21 PRO HB3 1 89 LEU MD1 5.000 . 6.000 4.630 4.432 4.934 . 0 0 "[ . 1 . 2 ]" 1
1421 1 21 PRO HB2 1 89 LEU MD1 5.000 . 6.000 3.362 3.211 3.592 . 0 0 "[ . 1 . 2 ]" 1
1422 1 21 PRO HB2 1 89 LEU MD2 4.000 . 4.750 3.949 3.782 3.994 . 0 0 "[ . 1 . 2 ]" 1
1423 1 21 PRO HG2 1 89 LEU MD1 5.000 . 6.000 2.591 2.256 2.977 . 0 0 "[ . 1 . 2 ]" 1
1424 1 21 PRO HG2 1 89 LEU MD2 4.000 . 4.750 3.592 3.319 3.760 . 0 0 "[ . 1 . 2 ]" 1
1425 1 22 TRP HZ2 1 66 SER HA 5.000 . 6.000 4.499 3.765 5.083 . 0 0 "[ . 1 . 2 ]" 1
1426 1 22 TRP HZ3 1 66 SER HA 4.000 . 4.750 4.195 4.029 4.364 . 0 0 "[ . 1 . 2 ]" 1
1427 1 22 TRP HH2 1 66 SER HA 4.000 . 4.750 3.169 2.863 3.470 . 0 0 "[ . 1 . 2 ]" 1
1428 1 22 TRP HH2 1 66 SER QB 5.000 . 6.000 4.641 4.374 4.894 . 0 0 "[ . 1 . 2 ]" 1
1429 1 22 TRP HE3 1 67 LEU HA 4.000 . 4.750 4.131 3.811 4.319 . 0 0 "[ . 1 . 2 ]" 1
1430 1 22 TRP HZ3 1 67 LEU H 4.000 . 4.750 4.079 3.745 4.322 . 0 0 "[ . 1 . 2 ]" 1
1431 1 22 TRP HZ3 1 67 LEU HA 4.000 . 4.750 2.681 2.422 2.817 . 0 0 "[ . 1 . 2 ]" 1
1432 1 22 TRP HZ3 1 67 LEU MD2 4.000 . 4.750 3.959 3.677 3.993 . 0 0 "[ . 1 . 2 ]" 1
1433 1 22 TRP HH2 1 67 LEU HA 4.000 . 4.750 4.565 4.190 4.779 0.029 11 0 "[ . 1 . 2 ]" 1
1434 1 22 TRP HB3 1 68 THR MG 5.000 . 6.000 3.371 3.248 3.524 . 0 0 "[ . 1 . 2 ]" 1
1435 1 22 TRP HB2 1 68 THR MG 5.000 . 6.000 4.441 4.266 4.614 . 0 0 "[ . 1 . 2 ]" 1
1436 1 22 TRP HE3 1 68 THR H 4.000 . 4.750 3.379 3.162 3.643 . 0 0 "[ . 1 . 2 ]" 1
1437 1 22 TRP HE3 1 68 THR HB 3.000 . 3.500 3.561 3.531 3.592 0.092 9 0 "[ . 1 . 2 ]" 1
1438 1 22 TRP HE3 1 68 THR MG 4.000 . 4.750 2.142 1.954 2.344 . 0 0 "[ . 1 . 2 ]" 1
1439 1 22 TRP HZ2 1 68 THR MG 5.000 . 6.000 4.707 4.600 4.859 . 0 0 "[ . 1 . 2 ]" 1
1440 1 22 TRP HZ3 1 68 THR H 3.000 . 3.500 2.301 2.062 2.606 . 0 0 "[ . 1 . 2 ]" 1
1441 1 22 TRP HZ3 1 68 THR HB 4.000 . 4.750 2.144 2.030 2.264 . 0 0 "[ . 1 . 2 ]" 1
1442 1 22 TRP HZ3 1 68 THR MG 4.000 . 4.750 2.523 2.315 2.722 . 0 0 "[ . 1 . 2 ]" 1
1443 1 22 TRP HH2 1 68 THR H 4.000 . 4.750 4.543 4.279 4.797 0.047 10 0 "[ . 1 . 2 ]" 1
1444 1 22 TRP HH2 1 68 THR HB 3.000 . 3.500 2.832 2.766 2.913 . 0 0 "[ . 1 . 2 ]" 1
1445 1 22 TRP HH2 1 68 THR MG 4.000 . 4.750 3.974 3.941 3.995 . 0 0 "[ . 1 . 2 ]" 1
1446 1 22 TRP H 1 89 LEU MD1 5.000 . 6.000 4.988 4.933 5.026 . 0 0 "[ . 1 . 2 ]" 1
1447 1 23 TRP HD1 1 53 PHE QB 4.000 . 4.750 3.766 3.426 3.955 . 0 0 "[ . 1 . 2 ]" 1
1448 1 23 TRP HD1 1 53 PHE QD 3.000 . 3.500 2.911 2.680 3.075 . 0 0 "[ . 1 . 2 ]" 1
1449 1 23 TRP HD1 1 53 PHE QE 4.000 . 4.750 3.951 3.771 4.113 . 0 0 "[ . 1 . 2 ]" 1
1450 1 23 TRP HE1 1 53 PHE HA 5.000 . 6.000 5.724 5.557 5.960 . 0 0 "[ . 1 . 2 ]" 1
1451 1 23 TRP HE1 1 53 PHE QD 5.000 . 6.000 3.953 3.787 4.093 . 0 0 "[ . 1 . 2 ]" 1
1452 1 23 TRP HE1 1 53 PHE QE 5.000 . 6.000 5.372 5.338 5.398 . 0 0 "[ . 1 . 2 ]" 1
1453 1 23 TRP QB 1 53 PHE QD 4.000 . 4.750 3.145 2.876 3.392 . 0 0 "[ . 1 . 2 ]" 1
1454 1 23 TRP QB 1 53 PHE QE 4.000 . 4.750 2.186 1.903 2.438 . 0 0 "[ . 1 . 2 ]" 1
1455 1 23 TRP HD1 1 54 PHE H 4.000 . 4.750 2.868 2.696 2.982 . 0 0 "[ . 1 . 2 ]" 1
1456 1 23 TRP HE1 1 54 PHE H 5.000 . 6.000 4.289 4.112 4.461 . 0 0 "[ . 1 . 2 ]" 1
1457 1 23 TRP HE1 1 55 PRO HD3 5.000 . 6.000 3.361 3.168 3.600 . 0 0 "[ . 1 . 2 ]" 1
1458 1 23 TRP HE1 1 55 PRO HD2 5.000 . 6.000 4.067 3.634 4.530 . 0 0 "[ . 1 . 2 ]" 1
1459 1 23 TRP HZ2 1 86 THR MG 4.000 . 4.750 3.981 3.947 4.002 . 0 0 "[ . 1 . 2 ]" 1
1460 1 23 TRP HH2 1 86 THR MG 5.000 . 6.000 2.696 2.587 2.793 . 0 0 "[ . 1 . 2 ]" 1
1461 1 23 TRP HZ2 1 88 SER HA 4.000 . 4.750 4.211 4.084 4.370 . 0 0 "[ . 1 . 2 ]" 1
1462 1 23 TRP HZ2 1 88 SER QB 3.000 . 3.500 2.335 1.855 3.039 . 0 0 "[ . 1 . 2 ]" 1
1463 1 23 TRP HD1 1 89 LEU MD1 5.000 . 6.000 4.024 3.720 4.245 . 0 0 "[ . 1 . 2 ]" 1
1464 1 23 TRP HE1 1 89 LEU QB 5.000 . 6.000 4.415 4.160 4.625 . 0 0 "[ . 1 . 2 ]" 1
1465 1 23 TRP HE3 1 89 LEU MD1 5.000 . 6.000 2.768 2.688 2.905 . 0 0 "[ . 1 . 2 ]" 1
1466 1 23 TRP HE3 1 89 LEU MD2 5.000 . 6.000 4.981 4.887 5.044 . 0 0 "[ . 1 . 2 ]" 1
1467 1 23 TRP HZ2 1 89 LEU HA 3.000 . 3.500 2.454 2.329 2.618 . 0 0 "[ . 1 . 2 ]" 1
1468 1 23 TRP HZ2 1 89 LEU QB . . 3.500 2.730 2.645 2.818 . 0 0 "[ . 1 . 2 ]" 1
1469 1 23 TRP HZ2 1 89 LEU MD1 4.000 . 4.750 3.537 3.394 3.717 . 0 0 "[ . 1 . 2 ]" 1
1470 1 23 TRP HZ2 1 89 LEU MD2 5.000 . 6.000 5.011 4.936 5.048 . 0 0 "[ . 1 . 2 ]" 1
1471 1 23 TRP HZ3 1 89 LEU MD1 5.000 . 6.000 2.920 2.648 3.239 . 0 0 "[ . 1 . 2 ]" 1
1472 1 23 TRP HZ3 1 89 LEU MD2 5.000 . 6.000 4.522 4.450 4.633 . 0 0 "[ . 1 . 2 ]" 1
1473 1 23 TRP HH2 1 89 LEU HA 5.000 . 6.000 4.073 3.875 4.294 . 0 0 "[ . 1 . 2 ]" 1
1474 1 23 TRP HH2 1 89 LEU QB 4.000 . 4.750 2.430 2.311 2.590 . 0 0 "[ . 1 . 2 ]" 1
1475 1 23 TRP HZ2 1 90 ILE H 4.000 . 4.750 4.831 4.784 4.901 0.151 19 0 "[ . 1 . 2 ]" 1
1476 1 23 TRP HD1 1 92 ALA MB 4.000 . 4.750 2.819 2.601 3.163 . 0 0 "[ . 1 . 2 ]" 1
1477 1 23 TRP HE1 1 92 ALA H 5.000 . 6.000 4.333 4.157 4.597 . 0 0 "[ . 1 . 2 ]" 1
1478 1 23 TRP HE1 1 92 ALA HA 5.000 . 6.000 4.077 3.891 4.413 . 0 0 "[ . 1 . 2 ]" 1
1479 1 23 TRP HE1 1 92 ALA MB 4.000 . 4.750 1.967 1.844 2.096 . 0 0 "[ . 1 . 2 ]" 1
1480 1 23 TRP HZ2 1 92 ALA H 4.000 . 4.750 4.723 4.596 4.849 0.099 23 0 "[ . 1 . 2 ]" 1
1481 1 23 TRP HZ2 1 92 ALA MB 4.000 . 4.750 3.335 3.218 3.480 . 0 0 "[ . 1 . 2 ]" 1
1482 1 24 PRO HG2 1 54 PHE HB2 5.000 . 6.000 2.256 2.043 2.437 . 0 0 "[ . 1 . 2 ]" 1
1483 1 24 PRO HG2 1 54 PHE QD 4.000 . 4.750 3.573 3.321 3.750 . 0 0 "[ . 1 . 2 ]" 1
1484 1 24 PRO QB 1 54 PHE QD 4.000 . 4.750 2.515 2.287 2.819 . 0 0 "[ . 1 . 2 ]" 1
1485 1 24 PRO HG3 1 89 LEU MD1 5.000 . 6.000 3.841 3.368 4.193 . 0 0 "[ . 1 . 2 ]" 1
1486 1 24 PRO HG2 1 89 LEU MD1 5.000 . 6.000 4.202 3.768 4.527 . 0 0 "[ . 1 . 2 ]" 1
1487 1 24 PRO QD 1 89 LEU MD1 5.000 . 6.000 2.168 1.751 2.474 0.049 22 0 "[ . 1 . 2 ]" 1
1488 1 24 PRO HG3 1 92 ALA MB 5.000 . 6.000 2.348 2.062 2.734 . 0 0 "[ . 1 . 2 ]" 1
1489 1 24 PRO QD 1 92 ALA MB 5.000 . 6.000 2.469 2.201 2.839 . 0 0 "[ . 1 . 2 ]" 1
1490 1 24 PRO HG3 1 93 TYR HA 5.000 . 6.000 2.664 2.372 2.880 . 0 0 "[ . 1 . 2 ]" 1
1491 1 24 PRO HG2 1 93 TYR H 5.000 . 6.000 3.972 3.742 4.289 . 0 0 "[ . 1 . 2 ]" 1
1492 1 24 PRO HG2 1 93 TYR HA 4.000 . 4.750 3.842 3.601 4.042 . 0 0 "[ . 1 . 2 ]" 1
1493 1 24 PRO HG3 1 96 ALA MB 5.000 . 6.000 3.459 3.012 3.878 . 0 0 "[ . 1 . 2 ]" 1
1494 1 24 PRO HG2 1 96 ALA H 5.000 . 6.000 4.908 4.430 5.173 . 0 0 "[ . 1 . 2 ]" 1
1495 1 25 SER HG 1 51 VAL MG1 5.000 . 6.000 3.850 2.838 5.034 . 0 0 "[ . 1 . 2 ]" 1
1496 1 25 SER HG 1 51 VAL MG2 5.000 . 6.000 2.886 1.852 3.806 . 0 0 "[ . 1 . 2 ]" 1
1497 1 25 SER QB 1 51 VAL HB 4.000 . 4.750 2.941 2.438 3.468 . 0 0 "[ . 1 . 2 ]" 1
1498 1 25 SER QB 1 51 VAL MG1 5.000 . 6.000 3.827 3.366 4.160 . 0 0 "[ . 1 . 2 ]" 1
1499 1 25 SER QB 1 51 VAL MG2 5.000 . 6.000 1.842 1.742 1.959 0.058 2 0 "[ . 1 . 2 ]" 1
1500 1 25 SER HA 1 52 ILE MD 5.000 . 6.000 3.362 3.211 3.687 . 0 0 "[ . 1 . 2 ]" 1
1501 1 25 SER HA 1 53 PHE HA 3.000 . 3.500 2.549 2.430 2.630 . 0 0 "[ . 1 . 2 ]" 1
1502 1 25 SER HA 1 53 PHE QD 4.000 . 4.750 4.261 4.205 4.292 . 0 0 "[ . 1 . 2 ]" 1
1503 1 25 SER HG 1 53 PHE QD 5.000 . 6.000 4.489 2.934 5.244 . 0 0 "[ . 1 . 2 ]" 1
1504 1 25 SER QB 1 53 PHE HA 4.000 . 4.750 2.393 2.109 2.615 . 0 0 "[ . 1 . 2 ]" 1
1505 1 25 SER QB 1 53 PHE QD 4.000 . 4.750 2.519 2.246 2.692 . 0 0 "[ . 1 . 2 ]" 1
1506 1 25 SER QB 1 53 PHE QE 4.000 . 4.750 2.918 2.809 3.023 . 0 0 "[ . 1 . 2 ]" 1
1507 1 25 SER H 1 54 PHE QD 4.000 . 4.750 4.063 3.909 4.257 . 0 0 "[ . 1 . 2 ]" 1
1508 1 25 SER HA 1 54 PHE H 4.000 . 4.750 3.204 2.953 3.342 . 0 0 "[ . 1 . 2 ]" 1
1509 1 25 SER HA 1 54 PHE QD 3.000 . 3.500 2.791 2.463 3.084 . 0 0 "[ . 1 . 2 ]" 1
1510 1 25 SER QB 1 54 PHE H 4.000 . 4.750 3.760 3.428 4.027 . 0 0 "[ . 1 . 2 ]" 1
1511 1 25 SER H 1 70 LEU MD2 5.000 . 6.000 3.171 2.782 3.581 . 0 0 "[ . 1 . 2 ]" 1
1512 1 25 SER H 1 70 LEU QB 4.000 . 4.750 4.212 4.133 4.263 . 0 0 "[ . 1 . 2 ]" 1
1513 1 25 SER H 1 96 ALA MB 5.000 . 6.000 4.938 4.589 5.028 . 0 0 "[ . 1 . 2 ]" 1
1514 1 26 MET H 1 51 VAL HA 5.000 . 6.000 4.541 4.286 4.726 . 0 0 "[ . 1 . 2 ]" 1
1515 1 26 MET H 1 51 VAL HB 3.000 . 3.500 3.503 3.366 3.571 0.071 16 0 "[ . 1 . 2 ]" 1
1516 1 26 MET H 1 52 ILE H 3.000 . 3.500 2.538 2.294 2.720 . 0 0 "[ . 1 . 2 ]" 1
1517 1 26 MET H 1 52 ILE MG 4.000 . 4.750 1.840 1.793 2.121 0.007 15 0 "[ . 1 . 2 ]" 1
1518 1 26 MET H 1 52 ILE MD 5.000 . 6.000 2.971 2.829 3.345 . 0 0 "[ . 1 . 2 ]" 1
1519 1 26 MET HB3 1 52 ILE MG 4.000 . 4.750 1.792 1.745 1.867 0.055 13 0 "[ . 1 . 2 ]" 1
1520 1 26 MET HB2 1 52 ILE MG 4.000 . 4.750 2.734 2.509 3.133 . 0 0 "[ . 1 . 2 ]" 1
1521 1 26 MET ME 1 52 ILE MG 5.000 . 6.000 3.081 2.735 3.692 . 0 0 "[ . 1 . 2 ]" 1
1522 1 26 MET QG 1 52 ILE MG 5.000 . 6.000 3.218 2.876 3.516 . 0 0 "[ . 1 . 2 ]" 1
1523 1 26 MET H 1 54 PHE HZ 5.000 . 6.000 4.861 4.452 5.086 . 0 0 "[ . 1 . 2 ]" 1
1524 1 26 MET H 1 54 PHE QD 4.000 . 4.750 4.196 3.907 4.264 . 0 0 "[ . 1 . 2 ]" 1
1525 1 26 MET H 1 54 PHE QE 5.000 . 6.000 3.417 2.815 3.724 . 0 0 "[ . 1 . 2 ]" 1
1526 1 26 MET HB3 1 54 PHE HZ 4.000 . 4.750 4.211 3.391 4.588 . 0 0 "[ . 1 . 2 ]" 1
1527 1 26 MET HB3 1 54 PHE QE 5.000 . 6.000 3.822 2.913 4.206 . 0 0 "[ . 1 . 2 ]" 1
1528 1 26 MET HB2 1 54 PHE HZ 3.000 . 3.500 3.488 3.131 3.544 0.044 6 0 "[ . 1 . 2 ]" 1
1529 1 26 MET HB2 1 54 PHE QE 4.000 . 4.750 2.543 2.375 2.657 . 0 0 "[ . 1 . 2 ]" 1
1530 1 26 MET ME 1 54 PHE HZ 4.000 . 4.750 2.209 1.893 2.814 . 0 0 "[ . 1 . 2 ]" 1
1531 1 26 MET ME 1 54 PHE QD 5.000 . 6.000 4.492 4.462 4.529 . 0 0 "[ . 1 . 2 ]" 1
1532 1 26 MET ME 1 54 PHE QE 5.000 . 6.000 2.476 2.357 2.602 . 0 0 "[ . 1 . 2 ]" 1
1533 1 26 MET ME 1 96 ALA HA 5.000 . 6.000 4.534 4.300 4.740 . 0 0 "[ . 1 . 2 ]" 1
1534 1 26 MET ME 1 99 THR HA 5.000 . 6.000 4.866 4.377 5.017 . 0 0 "[ . 1 . 2 ]" 1
1535 1 26 MET ME 1 99 THR MG 4.000 . 4.750 2.293 1.896 3.120 . 0 0 "[ . 1 . 2 ]" 1
1536 1 26 MET ME 1 101 ASP H 4.000 . 4.750 3.699 3.322 3.976 . 0 0 "[ . 1 . 2 ]" 1
1537 1 26 MET ME 1 101 ASP HA 5.000 . 6.000 2.441 1.798 3.339 0.002 3 0 "[ . 1 . 2 ]" 1
1538 1 26 MET ME 1 101 ASP QB 5.000 . 6.000 4.029 3.354 4.470 . 0 0 "[ . 1 . 2 ]" 1
1539 1 26 MET ME 1 102 LEU H 5.000 . 6.000 3.488 2.464 4.198 . 0 0 "[ . 1 . 2 ]" 1
1540 1 26 MET QG 1 102 LEU MD1 5.000 . 6.000 3.592 2.459 4.295 . 0 0 "[ . 1 . 2 ]" 1
1541 1 26 MET H 1 105 LEU MD2 5.000 . 6.000 4.683 4.389 4.880 . 0 0 "[ . 1 . 2 ]" 1
1542 1 27 VAL MG1 1 49 TYR HA 5.000 . 6.000 3.975 3.626 4.213 . 0 0 "[ . 1 . 2 ]" 1
1543 1 27 VAL MG1 1 49 TYR HB3 5.000 . 6.000 2.513 1.945 2.941 . 0 0 "[ . 1 . 2 ]" 1
1544 1 27 VAL MG1 1 49 TYR HB2 5.000 . 6.000 3.908 3.177 4.350 . 0 0 "[ . 1 . 2 ]" 1
1545 1 27 VAL MG1 1 49 TYR QD 4.000 . 4.750 3.131 2.201 3.521 . 0 0 "[ . 1 . 2 ]" 1
1546 1 27 VAL MG1 1 49 TYR QE 5.000 . 6.000 4.359 3.814 4.476 . 0 0 "[ . 1 . 2 ]" 1
1547 1 27 VAL MG2 1 49 TYR HB3 5.000 . 6.000 3.271 3.056 3.455 . 0 0 "[ . 1 . 2 ]" 1
1548 1 27 VAL MG2 1 49 TYR HB2 5.000 . 6.000 4.051 3.467 4.339 . 0 0 "[ . 1 . 2 ]" 1
1549 1 27 VAL MG2 1 49 TYR QD 5.000 . 6.000 3.050 2.845 3.217 . 0 0 "[ . 1 . 2 ]" 1
1550 1 27 VAL MG2 1 49 TYR QE 5.000 . 6.000 4.475 4.458 4.497 . 0 0 "[ . 1 . 2 ]" 1
1551 1 27 VAL H 1 51 VAL MG1 5.000 . 6.000 4.356 4.134 4.631 . 0 0 "[ . 1 . 2 ]" 1
1552 1 27 VAL HA 1 51 VAL H 4.000 . 4.750 4.756 4.587 4.811 0.061 3 0 "[ . 1 . 2 ]" 1
1553 1 27 VAL HA 1 51 VAL HA 3.000 . 3.500 2.460 2.332 2.641 . 0 0 "[ . 1 . 2 ]" 1
1554 1 27 VAL HA 1 51 VAL MG1 5.000 . 6.000 2.511 2.322 2.718 . 0 0 "[ . 1 . 2 ]" 1
1555 1 27 VAL HB 1 51 VAL MG1 5.000 . 6.000 4.753 4.551 4.975 . 0 0 "[ . 1 . 2 ]" 1
1556 1 27 VAL MG1 1 51 VAL HA 5.000 . 6.000 4.036 3.904 4.224 . 0 0 "[ . 1 . 2 ]" 1
1557 1 27 VAL MG2 1 51 VAL HA 5.000 . 6.000 4.240 4.075 4.367 . 0 0 "[ . 1 . 2 ]" 1
1558 1 27 VAL MG2 1 51 VAL MG1 5.000 . 6.000 2.658 2.406 2.969 . 0 0 "[ . 1 . 2 ]" 1
1559 1 27 VAL MG1 1 67 LEU MD1 5.000 . 6.000 3.776 3.476 4.180 . 0 0 "[ . 1 . 2 ]" 1
1560 1 27 VAL MG2 1 67 LEU MD1 5.000 . 6.000 2.926 2.530 3.546 . 0 0 "[ . 1 . 2 ]" 1
1561 1 28 VAL MG2 1 33 MET H 5.000 . 6.000 3.884 3.016 4.722 . 0 0 "[ . 1 . 2 ]" 1
1562 1 28 VAL MG2 1 33 MET ME 5.000 . 6.000 3.113 2.767 3.372 . 0 0 "[ . 1 . 2 ]" 1
1563 1 28 VAL MG2 1 33 MET QG 4.000 . 4.750 2.340 1.726 3.576 0.074 18 0 "[ . 1 . 2 ]" 1
1564 1 28 VAL H 1 50 PRO HG3 5.000 . 6.000 5.552 5.335 5.713 . 0 0 "[ . 1 . 2 ]" 1
1565 1 28 VAL H 1 50 PRO HG2 5.000 . 6.000 3.850 3.621 4.019 . 0 0 "[ . 1 . 2 ]" 1
1566 1 28 VAL MG2 1 50 PRO HA 5.000 . 6.000 3.929 3.812 4.041 . 0 0 "[ . 1 . 2 ]" 1
1567 1 28 VAL MG2 1 50 PRO HB3 5.000 . 6.000 3.851 3.724 3.958 . 0 0 "[ . 1 . 2 ]" 1
1568 1 28 VAL MG2 1 50 PRO HB2 3.000 . 3.500 2.346 2.220 2.468 . 0 0 "[ . 1 . 2 ]" 1
1569 1 28 VAL MG2 1 50 PRO HG3 4.000 . 4.750 3.987 3.958 4.030 . 0 0 "[ . 1 . 2 ]" 1
1570 1 28 VAL MG2 1 50 PRO HG2 4.000 . 4.750 2.785 2.656 2.915 . 0 0 "[ . 1 . 2 ]" 1
1571 1 28 VAL MG2 1 50 PRO QD 5.000 . 6.000 4.182 4.037 4.268 . 0 0 "[ . 1 . 2 ]" 1
1572 1 28 VAL H 1 51 VAL HA 4.000 . 4.750 1.870 1.820 2.085 . 0 0 "[ . 1 . 2 ]" 1
1573 1 28 VAL H 1 51 VAL MG1 5.000 . 6.000 3.333 3.135 3.543 . 0 0 "[ . 1 . 2 ]" 1
1574 1 28 VAL MG1 1 51 VAL HA 5.000 . 6.000 2.508 2.200 2.711 . 0 0 "[ . 1 . 2 ]" 1
1575 1 28 VAL MG2 1 51 VAL H 5.000 . 6.000 3.441 3.290 3.767 . 0 0 "[ . 1 . 2 ]" 1
1576 1 28 VAL MG2 1 51 VAL HA 5.000 . 6.000 2.177 1.895 2.816 . 0 0 "[ . 1 . 2 ]" 1
1577 1 28 VAL H 1 52 ILE H 4.000 . 4.750 3.732 3.539 3.903 . 0 0 "[ . 1 . 2 ]" 1
1578 1 28 VAL HB 1 52 ILE HB 5.000 . 6.000 4.151 3.850 4.310 . 0 0 "[ . 1 . 2 ]" 1
1579 1 28 VAL HB 1 52 ILE MG 5.000 . 6.000 4.148 4.074 4.321 . 0 0 "[ . 1 . 2 ]" 1
1580 1 28 VAL MG1 1 52 ILE H 5.000 . 6.000 2.258 1.976 2.406 . 0 0 "[ . 1 . 2 ]" 1
1581 1 28 VAL MG1 1 52 ILE HB 4.000 . 4.750 1.900 1.807 2.081 . 0 0 "[ . 1 . 2 ]" 1
1582 1 28 VAL MG1 1 52 ILE MG 5.000 . 6.000 1.801 1.735 1.955 0.065 10 0 "[ . 1 . 2 ]" 1
1583 1 28 VAL MG1 1 52 ILE QG 4.000 . 4.750 3.493 3.247 3.583 . 0 0 "[ . 1 . 2 ]" 1
1584 1 28 VAL MG2 1 52 ILE H 5.000 . 6.000 3.225 2.952 3.610 . 0 0 "[ . 1 . 2 ]" 1
1585 1 28 VAL MG1 1 59 TYR QD 4.000 . 4.750 3.515 3.311 3.559 . 0 0 "[ . 1 . 2 ]" 1
1586 1 28 VAL MG1 1 59 TYR QE 4.000 . 4.750 3.415 3.048 3.540 . 0 0 "[ . 1 . 2 ]" 1
1587 1 28 VAL MG2 1 59 TYR QD 4.000 . 4.750 2.504 1.984 2.683 . 0 0 "[ . 1 . 2 ]" 1
1588 1 28 VAL MG2 1 59 TYR QE 4.000 . 4.750 3.366 2.641 3.554 . 0 0 "[ . 1 . 2 ]" 1
1589 1 28 VAL HA 1 102 LEU MD1 5.000 . 6.000 2.830 1.960 3.405 . 0 0 "[ . 1 . 2 ]" 1
1590 1 28 VAL HA 1 102 LEU MD2 5.000 . 6.000 3.284 2.584 4.002 . 0 0 "[ . 1 . 2 ]" 1
1591 1 28 VAL HB 1 102 LEU MD1 4.000 . 4.750 2.780 2.484 3.099 . 0 0 "[ . 1 . 2 ]" 1
1592 1 28 VAL HB 1 102 LEU MD2 4.000 . 4.750 3.743 3.232 3.970 . 0 0 "[ . 1 . 2 ]" 1
1593 1 29 THR HA 1 50 PRO HG3 4.000 . 4.750 3.007 2.876 3.260 . 0 0 "[ . 1 . 2 ]" 1
1594 1 29 THR HA 1 50 PRO HG2 5.000 . 6.000 2.338 2.140 2.580 . 0 0 "[ . 1 . 2 ]" 1
1595 1 29 THR MG 1 50 PRO QD 5.000 . 6.000 4.463 4.412 4.482 . 0 0 "[ . 1 . 2 ]" 1
1596 1 29 THR H 1 102 LEU MD1 5.000 . 6.000 3.593 3.335 3.936 . 0 0 "[ . 1 . 2 ]" 1
1597 1 29 THR H 1 102 LEU MD2 5.000 . 6.000 3.852 3.357 4.154 . 0 0 "[ . 1 . 2 ]" 1
1598 1 29 THR MG 1 102 LEU MD1 5.000 . 6.000 3.988 3.415 4.197 . 0 0 "[ . 1 . 2 ]" 1
1599 1 29 THR MG 1 102 LEU MD2 5.000 . 6.000 3.493 2.870 4.179 . 0 0 "[ . 1 . 2 ]" 1
1600 1 30 GLU QB 1 38 ARG QD 4.000 . 4.750 3.743 3.477 3.794 . 0 0 "[ . 1 . 2 ]" 1
1601 1 30 GLU QG 1 38 ARG QD 5.000 . 6.000 2.417 1.753 4.674 0.047 3 0 "[ . 1 . 2 ]" 1
1602 1 30 GLU QG 1 50 PRO HG3 5.000 . 6.000 4.598 3.028 5.359 . 0 0 "[ . 1 . 2 ]" 1
1603 1 30 GLU HA 1 61 TRP HZ2 5.000 . 6.000 3.625 3.296 4.344 . 0 0 "[ . 1 . 2 ]" 1
1604 1 30 GLU HA 1 61 TRP HH2 4.000 . 4.750 3.836 3.137 4.471 . 0 0 "[ . 1 . 2 ]" 1
1605 1 30 GLU QB 1 61 TRP HZ2 4.000 . 4.750 4.071 3.666 4.292 . 0 0 "[ . 1 . 2 ]" 1
1606 1 30 GLU QB 1 61 TRP HH2 4.000 . 4.750 2.951 2.139 3.841 . 0 0 "[ . 1 . 2 ]" 1
1607 1 30 GLU QG 1 61 TRP HZ2 4.000 . 4.750 2.824 1.923 4.184 . 0 0 "[ . 1 . 2 ]" 1
1608 1 30 GLU QG 1 61 TRP HH2 4.000 . 4.750 2.912 1.759 4.017 0.041 9 0 "[ . 1 . 2 ]" 1
1609 1 32 LYS QB 1 59 TYR QE 4.000 . 4.750 3.761 3.534 3.832 . 0 0 "[ . 1 . 2 ]" 1
1610 1 32 LYS HA 1 107 VAL MG1 5.000 . 6.000 3.280 2.041 4.742 . 0 0 "[ . 1 . 2 ]" 1
1611 1 32 LYS HA 1 107 VAL MG2 5.000 . 6.000 3.596 1.834 4.802 . 0 0 "[ . 1 . 2 ]" 1
1612 1 33 MET ME 1 38 ARG HA 4.000 . 4.750 3.930 3.732 3.992 . 0 0 "[ . 1 . 2 ]" 1
1613 1 33 MET ME 1 50 PRO HA 5.000 . 6.000 2.741 2.470 3.073 . 0 0 "[ . 1 . 2 ]" 1
1614 1 33 MET ME 1 50 PRO HB3 5.000 . 6.000 2.016 1.869 2.195 . 0 0 "[ . 1 . 2 ]" 1
1615 1 33 MET ME 1 50 PRO HG3 4.000 . 4.750 3.850 3.695 3.977 . 0 0 "[ . 1 . 2 ]" 1
1616 1 33 MET ME 1 50 PRO HG2 5.000 . 6.000 4.065 3.854 4.187 . 0 0 "[ . 1 . 2 ]" 1
1617 1 33 MET ME 1 50 PRO QD 5.000 . 6.000 4.452 4.337 4.492 . 0 0 "[ . 1 . 2 ]" 1
1618 1 33 MET ME 1 51 VAL H 4.000 . 4.750 3.560 3.220 3.866 . 0 0 "[ . 1 . 2 ]" 1
1619 1 33 MET HA 1 59 TYR QD 4.000 . 4.750 3.502 3.108 4.055 . 0 0 "[ . 1 . 2 ]" 1
1620 1 33 MET HA 1 59 TYR QE 5.000 . 6.000 3.204 2.302 3.824 . 0 0 "[ . 1 . 2 ]" 1
1621 1 33 MET ME 1 59 TYR H 5.000 . 6.000 5.060 5.032 5.121 . 0 0 "[ . 1 . 2 ]" 1
1622 1 33 MET ME 1 59 TYR HA 5.000 . 6.000 3.695 3.432 3.852 . 0 0 "[ . 1 . 2 ]" 1
1623 1 33 MET ME 1 59 TYR HB3 4.000 . 4.750 1.907 1.777 2.130 0.023 14 0 "[ . 1 . 2 ]" 1
1624 1 33 MET ME 1 59 TYR HB2 4.000 . 4.750 3.140 2.900 3.310 . 0 0 "[ . 1 . 2 ]" 1
1625 1 33 MET ME 1 59 TYR QD 4.000 . 4.750 3.219 2.618 3.544 . 0 0 "[ . 1 . 2 ]" 1
1626 1 33 MET QG 1 59 TYR QD 3.000 . 3.500 2.747 2.503 2.819 . 0 0 "[ . 1 . 2 ]" 1
1627 1 33 MET QG 1 59 TYR QE 5.000 . 6.000 3.585 3.252 4.055 . 0 0 "[ . 1 . 2 ]" 1
1628 1 33 MET ME 1 60 LEU HA 5.000 . 6.000 4.309 3.906 4.735 . 0 0 "[ . 1 . 2 ]" 1
1629 1 33 MET ME 1 61 TRP H 5.000 . 6.000 4.658 4.344 4.989 . 0 0 "[ . 1 . 2 ]" 1
1630 1 33 MET ME 1 61 TRP HA 5.000 . 6.000 4.101 3.834 4.427 . 0 0 "[ . 1 . 2 ]" 1
1631 1 33 MET ME 1 61 TRP HD1 4.000 . 4.750 3.544 3.306 3.913 . 0 0 "[ . 1 . 2 ]" 1
1632 1 33 MET ME 1 61 TRP HE1 4.000 . 4.750 2.245 1.846 2.540 . 0 0 "[ . 1 . 2 ]" 1
1633 1 33 MET ME 1 61 TRP HZ2 4.000 . 4.750 2.574 2.071 2.791 . 0 0 "[ . 1 . 2 ]" 1
1634 1 33 MET ME 1 61 TRP HH2 4.000 . 4.750 3.941 3.793 3.997 . 0 0 "[ . 1 . 2 ]" 1
1635 1 33 MET QG 1 61 TRP HE1 5.000 . 6.000 4.957 3.539 5.370 . 0 0 "[ . 1 . 2 ]" 1
1636 1 34 THR MG 1 59 TYR QD 4.000 . 4.750 3.353 2.955 3.548 . 0 0 "[ . 1 . 2 ]" 1
1637 1 34 THR MG 1 59 TYR QE 4.000 . 4.750 2.737 1.879 3.172 . 0 0 "[ . 1 . 2 ]" 1
1638 1 36 VAL MG1 1 59 TYR QD 5.000 . 6.000 3.147 2.885 3.330 . 0 0 "[ . 1 . 2 ]" 1
1639 1 36 VAL MG1 1 59 TYR QE 5.000 . 6.000 4.455 4.345 4.477 . 0 0 "[ . 1 . 2 ]" 1
1640 1 37 ALA MB 1 59 TYR H 5.000 . 6.000 3.989 3.845 4.345 . 0 0 "[ . 1 . 2 ]" 1
1641 1 37 ALA MB 1 59 TYR HA 5.000 . 6.000 3.882 3.685 4.094 . 0 0 "[ . 1 . 2 ]" 1
1642 1 37 ALA MB 1 59 TYR HB3 4.000 . 4.750 1.887 1.751 2.166 0.049 12 0 "[ . 1 . 2 ]" 1
1643 1 37 ALA MB 1 59 TYR HB2 4.000 . 4.750 1.796 1.704 2.060 0.096 19 0 "[ . 1 . 2 ]" 1
1644 1 37 ALA MB 1 59 TYR QD 4.000 . 4.750 2.529 1.945 2.972 . 0 0 "[ . 1 . 2 ]" 1
1645 1 37 ALA MB 1 59 TYR QE 5.000 . 6.000 3.980 3.548 4.370 . 0 0 "[ . 1 . 2 ]" 1
1646 1 37 ALA MB 1 61 TRP HD1 5.000 . 6.000 4.339 3.799 4.914 . 0 0 "[ . 1 . 2 ]" 1
1647 1 37 ALA MB 1 61 TRP HE1 5.000 . 6.000 3.006 2.618 3.437 . 0 0 "[ . 1 . 2 ]" 1
1648 1 38 ARG HA 1 61 TRP HE1 4.000 . 4.750 3.258 2.617 3.723 . 0 0 "[ . 1 . 2 ]" 1
1649 1 38 ARG HA 1 61 TRP HZ2 3.000 . 3.500 3.023 2.498 3.443 . 0 0 "[ . 1 . 2 ]" 1
1650 1 38 ARG QB 1 61 TRP HZ2 5.000 . 6.000 4.694 3.842 5.316 . 0 0 "[ . 1 . 2 ]" 1
1651 1 38 ARG QG 1 61 TRP HZ2 4.000 . 4.750 3.485 2.709 4.139 . 0 0 "[ . 1 . 2 ]" 1
1652 1 39 LYS H 1 61 TRP HE1 5.000 . 6.000 5.095 4.680 5.590 . 0 0 "[ . 1 . 2 ]" 1
1653 1 40 SER H 1 61 TRP HE1 5.000 . 6.000 3.916 3.535 4.194 . 0 0 "[ . 1 . 2 ]" 1
1654 1 40 SER HA 1 61 TRP HD1 5.000 . 6.000 4.905 4.232 5.745 . 0 0 "[ . 1 . 2 ]" 1
1655 1 40 SER HA 1 61 TRP HE1 5.000 . 6.000 5.655 5.182 5.968 . 0 0 "[ . 1 . 2 ]" 1
1656 1 40 SER QB 1 61 TRP HD1 5.000 . 6.000 2.739 2.105 3.483 . 0 0 "[ . 1 . 2 ]" 1
1657 1 40 SER QB 1 61 TRP HE1 5.000 . 6.000 3.597 2.829 4.637 . 0 0 "[ . 1 . 2 ]" 1
1658 1 41 LYS HA 1 61 TRP HD1 4.000 . 4.750 3.031 2.835 3.257 . 0 0 "[ . 1 . 2 ]" 1
1659 1 41 LYS HA 1 61 TRP HE1 5.000 . 6.000 3.198 2.813 3.552 . 0 0 "[ . 1 . 2 ]" 1
1660 1 41 LYS HB3 1 61 TRP HD1 5.000 . 6.000 5.749 5.548 5.880 . 0 0 "[ . 1 . 2 ]" 1
1661 1 41 LYS HB3 1 61 TRP HZ2 5.000 . 6.000 5.180 4.426 6.024 0.024 16 0 "[ . 1 . 2 ]" 1
1662 1 41 LYS HB2 1 61 TRP HD1 4.000 . 4.750 4.771 4.628 4.828 0.078 15 0 "[ . 1 . 2 ]" 1
1663 1 41 LYS HB2 1 61 TRP HE1 5.000 . 6.000 3.423 3.019 3.933 . 0 0 "[ . 1 . 2 ]" 1
1664 1 41 LYS HB2 1 61 TRP HZ2 4.000 . 4.750 3.601 2.751 4.606 . 0 0 "[ . 1 . 2 ]" 1
1665 1 41 LYS HG3 1 61 TRP HE3 4.000 . 4.750 3.798 3.442 4.520 . 0 0 "[ . 1 . 2 ]" 1
1666 1 41 LYS HG2 1 61 TRP HE3 4.000 . 4.750 4.554 3.449 4.789 0.039 8 0 "[ . 1 . 2 ]" 1
1667 1 41 LYS QD 1 61 TRP HH2 4.000 . 4.750 3.623 2.395 4.269 . 0 0 "[ . 1 . 2 ]" 1
1668 1 41 LYS QE 1 61 TRP HZ3 4.000 . 4.750 3.626 2.635 4.249 . 0 0 "[ . 1 . 2 ]" 1
1669 1 41 LYS QE 1 61 TRP HH2 4.000 . 4.750 3.391 2.116 4.227 . 0 0 "[ . 1 . 2 ]" 1
1670 1 42 PRO QB 1 48 PHE HZ 4.000 . 4.750 4.115 3.700 4.404 . 0 0 "[ . 1 . 2 ]" 1
1671 1 42 PRO QB 1 48 PHE QE 4.000 . 4.750 3.568 3.101 3.761 . 0 0 "[ . 1 . 2 ]" 1
1672 1 42 PRO QG 1 48 PHE QD 3.000 . 3.500 2.688 2.439 2.803 . 0 0 "[ . 1 . 2 ]" 1
1673 1 42 PRO QG 1 48 PHE QE 4.000 . 4.750 3.754 3.623 3.829 . 0 0 "[ . 1 . 2 ]" 1
1674 1 42 PRO QB 1 61 TRP HE3 5.000 . 6.000 5.357 5.178 5.419 . 0 0 "[ . 1 . 2 ]" 1
1675 1 42 PRO QG 1 61 TRP HE3 4.000 . 4.750 3.427 3.291 3.495 . 0 0 "[ . 1 . 2 ]" 1
1676 1 42 PRO QD 1 61 TRP HB3 4.000 . 4.750 2.024 1.861 2.265 . 0 0 "[ . 1 . 2 ]" 1
1677 1 42 PRO QD 1 61 TRP HB2 3.000 . 3.500 2.106 1.837 2.495 . 0 0 "[ . 1 . 2 ]" 1
1678 1 42 PRO QD 1 61 TRP HE3 3.000 . 3.500 2.969 2.740 3.175 . 0 0 "[ . 1 . 2 ]" 1
1679 1 48 PHE H 1 61 TRP HE3 4.000 . 4.750 4.528 4.216 4.776 0.026 10 0 "[ . 1 . 2 ]" 1
1680 1 48 PHE HA 1 61 TRP HE3 4.000 . 4.750 4.719 4.559 4.828 0.078 8 0 "[ . 1 . 2 ]" 1
1681 1 48 PHE HA 1 62 THR H 5.000 . 6.000 4.768 4.549 5.033 . 0 0 "[ . 1 . 2 ]" 1
1682 1 48 PHE QD 1 62 THR H 4.000 . 4.750 4.269 4.239 4.309 . 0 0 "[ . 1 . 2 ]" 1
1683 1 48 PHE QD 1 62 THR HA 4.000 . 4.750 2.875 2.643 3.156 . 0 0 "[ . 1 . 2 ]" 1
1684 1 48 PHE QE 1 62 THR HA 4.000 . 4.750 4.201 4.074 4.255 . 0 0 "[ . 1 . 2 ]" 1
1685 1 48 PHE HA 1 63 GLY H 5.000 . 6.000 4.052 3.767 4.279 . 0 0 "[ . 1 . 2 ]" 1
1686 1 48 PHE HA 1 63 GLY HA3 5.000 . 6.000 2.205 2.042 2.387 . 0 0 "[ . 1 . 2 ]" 1
1687 1 48 PHE HA 1 63 GLY HA2 5.000 . 6.000 3.494 3.263 3.715 . 0 0 "[ . 1 . 2 ]" 1
1688 1 48 PHE QD 1 63 GLY H 3.000 . 3.500 3.065 2.669 3.176 . 0 0 "[ . 1 . 2 ]" 1
1689 1 48 PHE QD 1 63 GLY HA3 4.000 . 4.750 3.893 3.589 4.093 . 0 0 "[ . 1 . 2 ]" 1
1690 1 48 PHE QD 1 63 GLY HA2 4.000 . 4.750 4.085 3.787 4.247 . 0 0 "[ . 1 . 2 ]" 1
1691 1 48 PHE QE 1 63 GLY H 4.000 . 4.750 3.704 3.429 3.917 . 0 0 "[ . 1 . 2 ]" 1
1692 1 48 PHE QE 1 63 GLY HA3 5.000 . 6.000 4.996 4.616 5.281 . 0 0 "[ . 1 . 2 ]" 1
1693 1 48 PHE HA 1 64 SER H 5.000 . 6.000 4.259 3.997 4.557 . 0 0 "[ . 1 . 2 ]" 1
1694 1 49 TYR H 1 61 TRP HA 5.000 . 6.000 4.360 4.083 4.669 . 0 0 "[ . 1 . 2 ]" 1
1695 1 49 TYR H 1 61 TRP HE3 4.000 . 4.750 4.444 4.215 4.634 . 0 0 "[ . 1 . 2 ]" 1
1696 1 49 TYR HA 1 61 TRP HZ3 4.000 . 4.750 4.353 3.973 4.731 . 0 0 "[ . 1 . 2 ]" 1
1697 1 49 TYR H 1 62 THR H 4.000 . 4.750 3.245 3.024 3.411 . 0 0 "[ . 1 . 2 ]" 1
1698 1 49 TYR H 1 62 THR MG 5.000 . 6.000 3.336 3.154 3.608 . 0 0 "[ . 1 . 2 ]" 1
1699 1 49 TYR HB2 1 62 THR MG 5.000 . 6.000 2.639 2.409 2.998 . 0 0 "[ . 1 . 2 ]" 1
1700 1 49 TYR QD 1 62 THR H 5.000 . 6.000 5.252 4.860 5.381 . 0 0 "[ . 1 . 2 ]" 1
1701 1 49 TYR QD 1 62 THR MG 5.000 . 6.000 4.052 3.749 4.267 . 0 0 "[ . 1 . 2 ]" 1
1702 1 49 TYR H 1 63 GLY HA3 5.000 . 6.000 2.742 2.467 2.977 . 0 0 "[ . 1 . 2 ]" 1
1703 1 49 TYR H 1 63 GLY HA2 5.000 . 6.000 4.386 4.135 4.600 . 0 0 "[ . 1 . 2 ]" 1
1704 1 49 TYR QD 1 63 GLY HA2 5.000 . 6.000 5.417 3.827 5.841 . 0 0 "[ . 1 . 2 ]" 1
1705 1 49 TYR QD 1 64 SER H 5.000 . 6.000 4.075 2.563 4.449 . 0 0 "[ . 1 . 2 ]" 1
1706 1 49 TYR QD 1 64 SER HA 4.000 . 4.750 3.320 3.028 3.547 . 0 0 "[ . 1 . 2 ]" 1
1707 1 49 TYR QD 1 64 SER QB 4.000 . 4.750 3.662 3.437 3.780 . 0 0 "[ . 1 . 2 ]" 1
1708 1 49 TYR QE 1 64 SER H 4.000 . 4.750 3.695 2.016 4.123 . 0 0 "[ . 1 . 2 ]" 1
1709 1 49 TYR QE 1 64 SER HA 3.000 . 3.500 3.172 3.133 3.215 . 0 0 "[ . 1 . 2 ]" 1
1710 1 49 TYR QE 1 64 SER QB 3.000 . 3.500 2.132 1.828 2.410 . 0 0 "[ . 1 . 2 ]" 1
1711 1 49 TYR H 1 67 LEU MD1 5.000 . 6.000 3.345 2.970 3.607 . 0 0 "[ . 1 . 2 ]" 1
1712 1 49 TYR HB3 1 67 LEU MD1 5.000 . 6.000 2.931 2.522 3.380 . 0 0 "[ . 1 . 2 ]" 1
1713 1 49 TYR HB2 1 67 LEU MD1 4.000 . 4.750 2.049 1.717 2.303 0.083 20 0 "[ . 1 . 2 ]" 1
1714 1 49 TYR QD 1 67 LEU HB2 5.000 . 6.000 4.072 3.829 4.330 . 0 0 "[ . 1 . 2 ]" 1
1715 1 49 TYR QD 1 67 LEU HG 5.000 . 6.000 4.685 4.395 4.976 . 0 0 "[ . 1 . 2 ]" 1
1716 1 49 TYR QD 1 67 LEU MD1 5.000 . 6.000 1.923 1.783 2.347 0.017 22 0 "[ . 1 . 2 ]" 1
1717 1 49 TYR QD 1 67 LEU MD2 5.000 . 6.000 4.030 3.423 4.510 . 0 0 "[ . 1 . 2 ]" 1
1718 1 49 TYR QE 1 67 LEU MD1 5.000 . 6.000 3.496 3.340 3.714 . 0 0 "[ . 1 . 2 ]" 1
1719 1 50 PRO HA 1 61 TRP HA 3.000 . 3.500 2.325 2.182 2.468 . 0 0 "[ . 1 . 2 ]" 1
1720 1 50 PRO HA 1 61 TRP HE3 4.000 . 4.750 3.636 3.508 3.715 . 0 0 "[ . 1 . 2 ]" 1
1721 1 50 PRO HB3 1 61 TRP HE3 4.000 . 4.750 3.497 3.323 3.659 . 0 0 "[ . 1 . 2 ]" 1
1722 1 50 PRO HB3 1 61 TRP HZ2 5.000 . 6.000 3.146 2.954 3.451 . 0 0 "[ . 1 . 2 ]" 1
1723 1 50 PRO HB3 1 61 TRP HH2 5.000 . 6.000 3.058 2.950 3.254 . 0 0 "[ . 1 . 2 ]" 1
1724 1 50 PRO HB2 1 61 TRP HZ3 4.000 . 4.750 4.727 4.564 4.793 0.043 18 0 "[ . 1 . 2 ]" 1
1725 1 50 PRO HG3 1 61 TRP HE3 4.000 . 4.750 4.380 4.172 4.564 . 0 0 "[ . 1 . 2 ]" 1
1726 1 50 PRO HG3 1 61 TRP HH2 5.000 . 6.000 2.722 2.465 3.074 . 0 0 "[ . 1 . 2 ]" 1
1727 1 50 PRO QD 1 61 TRP HE3 3.000 . 3.500 3.087 2.982 3.155 . 0 0 "[ . 1 . 2 ]" 1
1728 1 50 PRO QD 1 61 TRP HZ3 3.000 . 3.500 2.279 2.066 2.488 . 0 0 "[ . 1 . 2 ]" 1
1729 1 50 PRO HA 1 62 THR H 4.000 . 4.750 3.766 3.550 3.957 . 0 0 "[ . 1 . 2 ]" 1
1730 1 51 VAL MG2 1 60 LEU HB3 3.000 . 3.500 2.087 1.970 2.172 . 0 0 "[ . 1 . 2 ]" 1
1731 1 51 VAL MG2 1 60 LEU HB2 4.000 . 4.750 3.477 3.364 3.610 . 0 0 "[ . 1 . 2 ]" 1
1732 1 51 VAL H 1 61 TRP H 4.000 . 4.750 4.785 4.756 4.821 0.071 22 0 "[ . 1 . 2 ]" 1
1733 1 51 VAL H 1 61 TRP HA 4.000 . 4.750 3.454 3.326 3.593 . 0 0 "[ . 1 . 2 ]" 1
1734 1 51 VAL H 1 61 TRP HD1 5.000 . 6.000 5.725 5.550 5.933 . 0 0 "[ . 1 . 2 ]" 1
1735 1 51 VAL MG2 1 61 TRP HA 5.000 . 6.000 4.439 4.249 4.640 . 0 0 "[ . 1 . 2 ]" 1
1736 1 51 VAL H 1 62 THR H 4.000 . 4.750 3.986 3.807 4.082 . 0 0 "[ . 1 . 2 ]" 1
1737 1 51 VAL MG1 1 62 THR H 5.000 . 6.000 2.977 2.714 3.151 . 0 0 "[ . 1 . 2 ]" 1
1738 1 51 VAL MG1 1 62 THR MG 5.000 . 6.000 1.865 1.727 2.023 0.073 18 0 "[ . 1 . 2 ]" 1
1739 1 51 VAL MG2 1 62 THR H 5.000 . 6.000 4.031 3.788 4.153 . 0 0 "[ . 1 . 2 ]" 1
1740 1 51 VAL MG2 1 62 THR HB 5.000 . 6.000 4.138 3.917 4.352 . 0 0 "[ . 1 . 2 ]" 1
1741 1 51 VAL MG2 1 62 THR MG 5.000 . 6.000 2.570 2.371 2.824 . 0 0 "[ . 1 . 2 ]" 1
1742 1 51 VAL MG1 1 67 LEU MD1 4.000 . 4.750 2.443 2.241 2.582 . 0 0 "[ . 1 . 2 ]" 1
1743 1 51 VAL MG2 1 67 LEU MD1 5.000 . 6.000 4.153 4.019 4.191 . 0 0 "[ . 1 . 2 ]" 1
1744 1 52 ILE HB 1 57 LYS HA 5.000 . 6.000 4.674 4.518 4.802 . 0 0 "[ . 1 . 2 ]" 1
1745 1 52 ILE QG 1 57 LYS H 4.000 . 4.750 4.257 4.090 4.303 . 0 0 "[ . 1 . 2 ]" 1
1746 1 52 ILE QG 1 57 LYS HA 4.000 . 4.750 2.181 2.012 2.277 . 0 0 "[ . 1 . 2 ]" 1
1747 1 52 ILE QG 1 57 LYS QD 5.000 . 6.000 3.958 2.072 4.826 . 0 0 "[ . 1 . 2 ]" 1
1748 1 52 ILE MD 1 58 GLU H 5.000 . 6.000 3.269 2.612 3.715 . 0 0 "[ . 1 . 2 ]" 1
1749 1 52 ILE HA 1 59 TYR HA 3.000 . 3.500 2.269 2.067 2.465 . 0 0 "[ . 1 . 2 ]" 1
1750 1 52 ILE HA 1 59 TYR QD 4.000 . 4.750 2.797 2.509 3.268 . 0 0 "[ . 1 . 2 ]" 1
1751 1 52 ILE HB 1 59 TYR QD 4.000 . 4.750 3.130 2.901 3.431 . 0 0 "[ . 1 . 2 ]" 1
1752 1 52 ILE HB 1 59 TYR QE 3.000 . 3.500 2.745 2.450 2.914 . 0 0 "[ . 1 . 2 ]" 1
1753 1 52 ILE QG 1 59 TYR HA 5.000 . 6.000 4.123 3.889 4.298 . 0 0 "[ . 1 . 2 ]" 1
1754 1 52 ILE QG 1 59 TYR QD 4.000 . 4.750 3.783 3.522 3.915 . 0 0 "[ . 1 . 2 ]" 1
1755 1 52 ILE QG 1 59 TYR QE 4.000 . 4.750 3.119 2.789 3.449 . 0 0 "[ . 1 . 2 ]" 1
1756 1 52 ILE HA 1 60 LEU H 4.000 . 4.750 3.680 3.533 3.821 . 0 0 "[ . 1 . 2 ]" 1
1757 1 52 ILE H 1 105 LEU MD2 5.000 . 6.000 4.819 4.556 5.028 . 0 0 "[ . 1 . 2 ]" 1
1758 1 52 ILE MG 1 105 LEU HG 5.000 . 6.000 4.541 4.227 4.770 . 0 0 "[ . 1 . 2 ]" 1
1759 1 52 ILE MG 1 105 LEU MD1 5.000 . 6.000 3.789 3.546 4.083 . 0 0 "[ . 1 . 2 ]" 1
1760 1 52 ILE MG 1 105 LEU MD2 4.000 . 4.750 2.088 1.868 2.246 . 0 0 "[ . 1 . 2 ]" 1
1761 1 52 ILE MD 1 105 LEU MD1 5.000 . 6.000 3.053 2.687 3.520 . 0 0 "[ . 1 . 2 ]" 1
1762 1 52 ILE MD 1 105 LEU MD2 5.000 . 6.000 1.925 1.797 2.155 0.003 7 0 "[ . 1 . 2 ]" 1
1763 1 53 PHE H 1 58 GLU H 4.000 . 4.750 3.206 2.536 3.430 . 0 0 "[ . 1 . 2 ]" 1
1764 1 53 PHE QB 1 58 GLU H 3.000 . 3.500 3.155 3.047 3.192 . 0 0 "[ . 1 . 2 ]" 1
1765 1 53 PHE QB 1 58 GLU QB 4.000 . 4.750 1.825 1.697 1.963 0.103 12 0 "[ . 1 . 2 ]" 1
1766 1 53 PHE QD 1 58 GLU QB 4.000 . 4.750 3.694 3.491 3.805 . 0 0 "[ . 1 . 2 ]" 1
1767 1 53 PHE H 1 59 TYR HA 4.000 . 4.750 2.980 2.814 3.188 . 0 0 "[ . 1 . 2 ]" 1
1768 1 53 PHE QD 1 59 TYR HA 5.000 . 6.000 3.734 3.608 4.009 . 0 0 "[ . 1 . 2 ]" 1
1769 1 53 PHE H 1 60 LEU H 5.000 . 6.000 4.129 3.959 4.272 . 0 0 "[ . 1 . 2 ]" 1
1770 1 53 PHE HZ 1 60 LEU HB3 5.000 . 6.000 3.770 3.642 3.913 . 0 0 "[ . 1 . 2 ]" 1
1771 1 53 PHE HZ 1 60 LEU HB2 4.000 . 4.750 4.179 4.057 4.333 . 0 0 "[ . 1 . 2 ]" 1
1772 1 53 PHE HZ 1 60 LEU MD1 5.000 . 6.000 3.400 3.201 3.529 . 0 0 "[ . 1 . 2 ]" 1
1773 1 53 PHE HZ 1 60 LEU MD2 4.000 . 4.750 1.903 1.835 1.976 . 0 0 "[ . 1 . 2 ]" 1
1774 1 53 PHE QD 1 60 LEU HB3 5.000 . 6.000 2.636 2.546 2.764 . 0 0 "[ . 1 . 2 ]" 1
1775 1 53 PHE QD 1 60 LEU HB2 5.000 . 6.000 3.246 3.081 3.399 . 0 0 "[ . 1 . 2 ]" 1
1776 1 53 PHE QD 1 60 LEU MD1 5.000 . 6.000 4.254 4.120 4.352 . 0 0 "[ . 1 . 2 ]" 1
1777 1 53 PHE QD 1 60 LEU MD2 5.000 . 6.000 3.695 3.592 3.813 . 0 0 "[ . 1 . 2 ]" 1
1778 1 53 PHE QE 1 60 LEU HB3 3.000 . 3.500 1.908 1.869 1.972 . 0 0 "[ . 1 . 2 ]" 1
1779 1 53 PHE QE 1 60 LEU HB2 3.000 . 3.500 3.157 3.135 3.174 . 0 0 "[ . 1 . 2 ]" 1
1780 1 53 PHE QE 1 60 LEU MD1 4.000 . 4.750 3.474 3.360 3.533 . 0 0 "[ . 1 . 2 ]" 1
1781 1 53 PHE QE 1 60 LEU MD2 4.000 . 4.750 1.926 1.785 2.034 0.015 21 0 "[ . 1 . 2 ]" 1
1782 1 53 PHE HZ 1 62 THR MG 5.000 . 6.000 4.382 4.180 4.570 . 0 0 "[ . 1 . 2 ]" 1
1783 1 53 PHE QE 1 62 THR HB 4.000 . 4.750 4.261 4.222 4.298 . 0 0 "[ . 1 . 2 ]" 1
1784 1 53 PHE QE 1 62 THR MG 4.000 . 4.750 3.336 3.148 3.537 . 0 0 "[ . 1 . 2 ]" 1
1785 1 54 PHE QE 1 70 LEU MD2 5.000 . 6.000 4.470 4.448 4.495 . 0 0 "[ . 1 . 2 ]" 1
1786 1 54 PHE H 1 92 ALA MB 5.000 . 6.000 3.445 3.176 3.656 . 0 0 "[ . 1 . 2 ]" 1
1787 1 54 PHE HA 1 92 ALA HA 5.000 . 6.000 3.805 3.624 4.198 . 0 0 "[ . 1 . 2 ]" 1
1788 1 54 PHE HB3 1 92 ALA HA 4.000 . 4.750 2.248 2.023 2.668 . 0 0 "[ . 1 . 2 ]" 1
1789 1 54 PHE HB3 1 92 ALA MB 5.000 . 6.000 3.151 2.983 3.294 . 0 0 "[ . 1 . 2 ]" 1
1790 1 54 PHE HB2 1 92 ALA HA 4.000 . 4.750 3.108 2.761 3.646 . 0 0 "[ . 1 . 2 ]" 1
1791 1 54 PHE HB2 1 92 ALA MB 5.000 . 6.000 2.645 2.393 2.861 . 0 0 "[ . 1 . 2 ]" 1
1792 1 54 PHE QD 1 92 ALA HA 5.000 . 6.000 4.314 4.127 4.626 . 0 0 "[ . 1 . 2 ]" 1
1793 1 54 PHE QD 1 92 ALA MB 5.000 . 6.000 4.301 4.115 4.466 . 0 0 "[ . 1 . 2 ]" 1
1794 1 54 PHE HA 1 95 MET ME 5.000 . 6.000 3.390 2.595 3.824 . 0 0 "[ . 1 . 2 ]" 1
1795 1 54 PHE HB3 1 95 MET ME 5.000 . 6.000 3.679 3.340 3.910 . 0 0 "[ . 1 . 2 ]" 1
1796 1 54 PHE HB2 1 95 MET H 5.000 . 6.000 5.602 5.288 5.875 . 0 0 "[ . 1 . 2 ]" 1
1797 1 54 PHE HB2 1 95 MET HB3 4.000 . 4.750 4.556 4.330 4.788 0.038 18 0 "[ . 1 . 2 ]" 1
1798 1 54 PHE QD 1 95 MET HB3 3.000 . 3.500 2.931 2.497 3.136 . 0 0 "[ . 1 . 2 ]" 1
1799 1 54 PHE QD 1 95 MET ME 5.000 . 6.000 1.827 1.742 1.997 0.058 12 0 "[ . 1 . 2 ]" 1
1800 1 54 PHE QE 1 95 MET ME 5.000 . 6.000 2.250 1.835 3.099 . 0 0 "[ . 1 . 2 ]" 1
1801 1 54 PHE HB2 1 96 ALA H 5.000 . 6.000 3.994 3.824 4.106 . 0 0 "[ . 1 . 2 ]" 1
1802 1 54 PHE HB2 1 96 ALA MB 5.000 . 6.000 2.374 2.092 2.573 . 0 0 "[ . 1 . 2 ]" 1
1803 1 54 PHE HZ 1 96 ALA HA 4.000 . 4.750 3.581 3.450 3.814 . 0 0 "[ . 1 . 2 ]" 1
1804 1 54 PHE HZ 1 96 ALA MB 5.000 . 6.000 3.997 3.731 4.409 . 0 0 "[ . 1 . 2 ]" 1
1805 1 54 PHE QD 1 96 ALA H 4.000 . 4.750 3.850 3.692 3.967 . 0 0 "[ . 1 . 2 ]" 1
1806 1 54 PHE QD 1 96 ALA HA 4.000 . 4.750 3.282 3.128 3.469 . 0 0 "[ . 1 . 2 ]" 1
1807 1 54 PHE QD 1 96 ALA MB 4.000 . 4.750 2.263 1.764 2.515 0.036 16 0 "[ . 1 . 2 ]" 1
1808 1 54 PHE QE 1 96 ALA H 5.000 . 6.000 5.000 4.840 5.126 . 0 0 "[ . 1 . 2 ]" 1
1809 1 54 PHE QE 1 96 ALA HA 3.000 . 3.500 3.140 3.017 3.201 . 0 0 "[ . 1 . 2 ]" 1
1810 1 54 PHE QE 1 96 ALA MB 4.000 . 4.750 2.907 2.721 3.188 . 0 0 "[ . 1 . 2 ]" 1
1811 1 54 PHE HZ 1 99 THR MG 4.000 . 4.750 2.181 1.848 2.830 . 0 0 "[ . 1 . 2 ]" 1
1812 1 54 PHE QE 1 99 THR HB 3.000 . 3.500 3.150 3.084 3.180 . 0 0 "[ . 1 . 2 ]" 1
1813 1 54 PHE QE 1 99 THR MG 4.000 . 4.750 2.846 2.474 3.154 . 0 0 "[ . 1 . 2 ]" 1
1814 1 54 PHE HZ 1 105 LEU MD1 4.000 . 4.750 2.385 1.995 2.946 . 0 0 "[ . 1 . 2 ]" 1
1815 1 54 PHE HZ 1 105 LEU MD2 5.000 . 6.000 2.765 2.323 3.152 . 0 0 "[ . 1 . 2 ]" 1
1816 1 54 PHE QD 1 105 LEU MD1 5.000 . 6.000 3.915 3.632 4.188 . 0 0 "[ . 1 . 2 ]" 1
1817 1 54 PHE QD 1 105 LEU MD2 5.000 . 6.000 4.380 4.141 4.497 . 0 0 "[ . 1 . 2 ]" 1
1818 1 54 PHE QE 1 105 LEU HG 4.000 . 4.750 4.167 3.799 4.277 . 0 0 "[ . 1 . 2 ]" 1
1819 1 54 PHE QE 1 105 LEU MD1 4.000 . 4.750 1.922 1.779 2.108 0.021 10 0 "[ . 1 . 2 ]" 1
1820 1 54 PHE QE 1 105 LEU MD2 5.000 . 6.000 2.909 2.484 3.185 . 0 0 "[ . 1 . 2 ]" 1
1821 1 55 PRO HA 1 92 ALA HA 5.000 . 6.000 3.239 2.770 3.558 . 0 0 "[ . 1 . 2 ]" 1
1822 1 55 PRO HA 1 92 ALA MB 5.000 . 6.000 4.393 4.029 4.613 . 0 0 "[ . 1 . 2 ]" 1
1823 1 55 PRO HD3 1 92 ALA MB 4.000 . 4.750 2.294 1.831 2.586 . 0 0 "[ . 1 . 2 ]" 1
1824 1 55 PRO HD2 1 92 ALA MB 5.000 . 6.000 3.633 3.346 3.856 . 0 0 "[ . 1 . 2 ]" 1
1825 1 55 PRO HA 1 95 MET HB3 5.000 . 6.000 2.887 2.447 3.398 . 0 0 "[ . 1 . 2 ]" 1
1826 1 55 PRO HA 1 95 MET ME 5.000 . 6.000 2.610 1.833 3.029 . 0 0 "[ . 1 . 2 ]" 1
1827 1 55 PRO QB 1 95 MET ME 4.000 . 4.750 3.146 2.517 3.535 . 0 0 "[ . 1 . 2 ]" 1
1828 1 57 LYS H 1 95 MET ME 5.000 . 6.000 3.015 1.875 3.849 . 0 0 "[ . 1 . 2 ]" 1
1829 1 57 LYS QD 1 95 MET ME 5.000 . 6.000 4.202 3.590 4.515 . 0 0 "[ . 1 . 2 ]" 1
1830 1 57 LYS QE 1 95 MET ME 5.000 . 6.000 4.235 2.794 4.472 . 0 0 "[ . 1 . 2 ]" 1
1831 1 59 TYR QE 1 105 LEU MD2 5.000 . 6.000 4.057 3.404 4.466 . 0 0 "[ . 1 . 2 ]" 1
1832 1 62 THR H 1 67 LEU MD1 5.000 . 6.000 3.664 3.444 3.851 . 0 0 "[ . 1 . 2 ]" 1
1833 1 62 THR H 1 67 LEU MD2 5.000 . 6.000 4.990 4.782 5.051 . 0 0 "[ . 1 . 2 ]" 1
1834 1 62 THR HB 1 67 LEU MD1 5.000 . 6.000 4.232 4.041 4.463 . 0 0 "[ . 1 . 2 ]" 1
1835 1 62 THR MG 1 67 LEU HA 5.000 . 6.000 3.828 3.639 3.924 . 0 0 "[ . 1 . 2 ]" 1
1836 1 62 THR MG 1 67 LEU MD1 5.000 . 6.000 1.807 1.699 2.107 0.101 10 0 "[ . 1 . 2 ]" 1
1837 1 62 THR MG 1 67 LEU MD2 4.000 . 4.750 2.252 2.008 2.563 . 0 0 "[ . 1 . 2 ]" 1
1838 1 70 LEU HG 1 75 ILE H 4.000 . 4.750 4.319 3.659 4.744 . 0 0 "[ . 1 . 2 ]" 1
1839 1 70 LEU HG 1 75 ILE MD 5.000 . 6.000 2.341 1.789 2.946 0.011 17 0 "[ . 1 . 2 ]" 1
1840 1 70 LEU MD2 1 75 ILE H 5.000 . 6.000 4.745 4.428 4.997 . 0 0 "[ . 1 . 2 ]" 1
1841 1 70 LEU MD2 1 75 ILE HA 5.000 . 6.000 4.277 3.957 4.647 . 0 0 "[ . 1 . 2 ]" 1
1842 1 70 LEU QB 1 75 ILE MD 5.000 . 6.000 3.962 3.479 4.435 . 0 0 "[ . 1 . 2 ]" 1
1843 1 70 LEU MD2 1 93 TYR QD 5.000 . 6.000 3.753 3.363 4.127 . 0 0 "[ . 1 . 2 ]" 1
1844 1 70 LEU MD2 1 96 ALA MB 5.000 . 6.000 3.348 2.874 3.583 . 0 0 "[ . 1 . 2 ]" 1
1845 1 75 ILE HA 1 93 TYR QD 3.000 . 3.500 2.619 2.258 3.183 . 0 0 "[ . 1 . 2 ]" 1
1846 1 75 ILE MG 1 93 TYR QD 4.000 . 4.750 2.086 1.799 3.562 0.001 1 0 "[ . 1 . 2 ]" 1
1847 1 75 ILE MD 1 93 TYR QD 5.000 . 6.000 3.913 3.531 4.380 . 0 0 "[ . 1 . 2 ]" 1
1848 1 75 ILE QG 1 93 TYR QD 4.000 . 4.750 2.410 1.939 2.985 . 0 0 "[ . 1 . 2 ]" 1
1849 1 75 ILE MD 1 96 ALA MB 5.000 . 6.000 3.431 3.021 3.923 . 0 0 "[ . 1 . 2 ]" 1
1850 1 75 ILE MG 1 97 GLN H 4.000 . 4.750 3.237 2.825 4.092 . 0 0 "[ . 1 . 2 ]" 1
1851 1 75 ILE MG 1 97 GLN HA 4.000 . 4.750 2.147 1.898 2.624 . 0 0 "[ . 1 . 2 ]" 1
1852 1 75 ILE MG 1 97 GLN QG 4.000 . 4.750 2.227 1.634 3.128 0.166 9 0 "[ . 1 . 2 ]" 1
1853 1 75 ILE MG 1 97 GLN QE 4.000 . 4.750 2.989 2.112 3.547 . 0 0 "[ . 1 . 2 ]" 1
1854 1 75 ILE MD 1 97 GLN H 5.000 . 6.000 4.495 4.213 4.743 . 0 0 "[ . 1 . 2 ]" 1
1855 1 75 ILE MD 1 97 GLN HA 4.000 . 4.750 2.819 2.402 3.278 . 0 0 "[ . 1 . 2 ]" 1
1856 1 75 ILE MD 1 97 GLN QB 5.000 . 6.000 4.016 3.504 4.431 . 0 0 "[ . 1 . 2 ]" 1
1857 1 75 ILE MD 1 97 GLN QG 5.000 . 6.000 3.886 2.956 4.472 . 0 0 "[ . 1 . 2 ]" 1
1858 1 76 SER HA 1 97 GLN QE 5.000 . 6.000 3.151 2.262 4.531 . 0 0 "[ . 1 . 2 ]" 1
1859 1 78 PHE QD 1 83 LYS H 4.000 . 4.750 2.736 2.469 2.906 . 0 0 "[ . 1 . 2 ]" 1
1860 1 78 PHE QE 1 83 LYS H . . 4.750 1.934 1.843 2.019 . 0 0 "[ . 1 . 2 ]" 1
1861 1 78 PHE QD 1 89 LEU MD2 4.000 . 4.750 3.203 2.998 3.426 . 0 0 "[ . 1 . 2 ]" 1
1862 1 78 PHE QE 1 89 LEU QB 4.000 . 4.750 3.931 3.749 4.085 . 0 0 "[ . 1 . 2 ]" 1
1863 1 78 PHE QE 1 89 LEU HG 4.000 . 4.750 3.581 3.418 3.677 . 0 0 "[ . 1 . 2 ]" 1
1864 1 78 PHE QE 1 89 LEU MD2 4.000 . 4.750 1.735 1.700 1.883 0.100 5 0 "[ . 1 . 2 ]" 1
1865 1 78 PHE HZ 1 89 LEU MD2 4.000 . 4.750 2.050 1.835 2.277 . 0 0 "[ . 1 . 2 ]" 1
1866 1 78 PHE QE 1 90 ILE HA 4.000 . 4.750 1.834 1.769 2.005 0.031 2 0 "[ . 1 . 2 ]" 1
1867 1 78 PHE QE 1 90 ILE MG 5.000 . 6.000 2.834 2.661 3.067 . 0 0 "[ . 1 . 2 ]" 1
1868 1 78 PHE QE 1 90 ILE MD 5.000 . 6.000 4.308 4.212 4.418 . 0 0 "[ . 1 . 2 ]" 1
1869 1 78 PHE QE 1 90 ILE QG 4.000 . 4.750 3.181 3.029 3.285 . 0 0 "[ . 1 . 2 ]" 1
1870 1 78 PHE HZ 1 90 ILE HA 3.000 . 3.500 1.852 1.806 1.927 . 0 0 "[ . 1 . 2 ]" 1
1871 1 78 PHE HZ 1 90 ILE MD 5.000 . 6.000 3.820 3.680 3.947 . 0 0 "[ . 1 . 2 ]" 1
1872 1 78 PHE HZ 1 90 ILE QG 3.000 . 3.500 2.050 1.910 2.202 . 0 0 "[ . 1 . 2 ]" 1
1873 1 78 PHE HB3 1 93 TYR QD 5.000 . 6.000 3.569 3.249 3.989 . 0 0 "[ . 1 . 2 ]" 1
1874 1 78 PHE QD 1 93 TYR HA 5.000 . 6.000 4.553 4.455 4.669 . 0 0 "[ . 1 . 2 ]" 1
1875 1 78 PHE QD 1 97 GLN QB 5.000 . 6.000 5.298 5.104 5.403 . 0 0 "[ . 1 . 2 ]" 1
1876 1 79 LEU HG 1 93 TYR HB3 4.000 . 4.750 3.225 3.097 3.717 . 0 0 "[ . 1 . 2 ]" 1
1877 1 79 LEU MD1 1 93 TYR HA 5.000 . 6.000 5.042 5.002 5.159 . 0 0 "[ . 1 . 2 ]" 1
1878 1 79 LEU MD1 1 93 TYR HB3 5.000 . 6.000 3.743 3.663 3.821 . 0 0 "[ . 1 . 2 ]" 1
1879 1 79 LEU MD1 1 93 TYR HB2 5.000 . 6.000 4.998 4.891 5.036 . 0 0 "[ . 1 . 2 ]" 1
1880 1 79 LEU MD2 1 93 TYR HB3 4.000 . 4.750 1.859 1.790 1.995 0.010 6 0 "[ . 1 . 2 ]" 1
1881 1 79 LEU MD2 1 93 TYR HB2 4.000 . 4.750 2.732 2.538 2.939 . 0 0 "[ . 1 . 2 ]" 1
1882 1 79 LEU MD1 1 94 LYS H 5.000 . 6.000 4.520 4.136 4.756 . 0 0 "[ . 1 . 2 ]" 1
1883 1 79 LEU MD1 1 94 LYS HA 4.000 . 4.750 2.701 2.243 3.004 . 0 0 "[ . 1 . 2 ]" 1
1884 1 79 LEU MD1 1 94 LYS QE 5.000 . 6.000 3.948 3.006 4.465 . 0 0 "[ . 1 . 2 ]" 1
1885 1 79 LEU MD2 1 94 LYS H 5.000 . 6.000 2.786 2.654 2.973 . 0 0 "[ . 1 . 2 ]" 1
1886 1 79 LEU MD2 1 94 LYS HA 4.000 . 4.750 2.204 1.843 2.571 . 0 0 "[ . 1 . 2 ]" 1
1887 1 79 LEU MD2 1 94 LYS QB 3.000 . 3.500 2.626 2.603 2.673 . 0 0 "[ . 1 . 2 ]" 1
1888 1 79 LEU MD1 1 97 GLN QB 5.000 . 6.000 2.297 2.087 2.617 . 0 0 "[ . 1 . 2 ]" 1
1889 1 79 LEU MD1 1 97 GLN QG 5.000 . 6.000 1.887 1.705 3.513 0.095 14 0 "[ . 1 . 2 ]" 1
1890 1 79 LEU MD1 1 97 GLN QE 4.000 . 4.750 2.610 1.775 3.546 0.025 5 0 "[ . 1 . 2 ]" 1
1891 1 79 LEU MD2 1 97 GLN QG 4.000 . 4.750 3.554 3.284 3.595 . 0 0 "[ . 1 . 2 ]" 1
1892 1 82 PRO HA 1 90 ILE MD 5.000 . 6.000 4.887 4.662 5.014 . 0 0 "[ . 1 . 2 ]" 1
1893 1 82 PRO HB3 1 90 ILE MD 4.000 . 4.750 3.284 3.006 3.533 . 0 0 "[ . 1 . 2 ]" 1
1894 1 82 PRO HB3 1 90 ILE QG 3.000 . 3.500 2.383 2.154 2.656 . 0 0 "[ . 1 . 2 ]" 1
1895 1 82 PRO HB2 1 90 ILE MD 3.000 . 3.500 2.645 2.430 2.809 . 0 0 "[ . 1 . 2 ]" 1
1896 1 82 PRO QG 1 90 ILE MD 4.000 . 4.750 2.094 1.852 2.547 . 0 0 "[ . 1 . 2 ]" 1
1897 1 83 LYS H 1 89 LEU MD1 5.000 . 6.000 5.055 5.030 5.094 . 0 0 "[ . 1 . 2 ]" 1
1898 1 83 LYS H 1 89 LEU MD2 5.000 . 6.000 2.946 2.850 3.048 . 0 0 "[ . 1 . 2 ]" 1
1899 1 83 LYS H 1 93 TYR QD 5.000 . 6.000 5.301 5.119 5.362 . 0 0 "[ . 1 . 2 ]" 1
1900 1 84 PRO QD 1 89 LEU MD2 4.000 . 4.750 2.897 2.695 3.164 . 0 0 "[ . 1 . 2 ]" 1
1901 1 85 LYS HA 1 90 ILE MD 5.000 . 6.000 2.854 2.247 3.175 . 0 0 "[ . 1 . 2 ]" 1
1902 1 85 LYS QE 1 90 ILE MD 5.000 . 6.000 3.611 2.117 4.345 . 0 0 "[ . 1 . 2 ]" 1
1903 1 95 MET ME 1 105 LEU MD1 5.000 . 6.000 2.827 2.357 3.606 . 0 0 "[ . 1 . 2 ]" 1
1904 1 99 THR HA 1 104 SER QB 5.000 . 6.000 3.261 2.458 4.258 . 0 0 "[ . 1 . 2 ]" 1
1905 1 99 THR MG 1 104 SER H 5.000 . 6.000 3.930 3.428 4.287 . 0 0 "[ . 1 . 2 ]" 1
1906 1 99 THR MG 1 104 SER HA 5.000 . 6.000 4.793 4.005 4.993 . 0 0 "[ . 1 . 2 ]" 1
1907 1 99 THR MG 1 104 SER QB 5.000 . 6.000 2.578 1.854 3.536 . 0 0 "[ . 1 . 2 ]" 1
1908 1 99 THR MG 1 105 LEU H 4.000 . 4.750 3.205 2.747 3.560 . 0 0 "[ . 1 . 2 ]" 1
1909 1 99 THR MG 1 105 LEU HA 5.000 . 6.000 3.040 2.838 3.185 . 0 0 "[ . 1 . 2 ]" 1
1910 1 99 THR MG 1 105 LEU MD1 5.000 . 6.000 1.614 1.562 1.804 0.238 15 0 "[ . 1 . 2 ]" 1
1911 1 99 THR MG 1 105 LEU MD2 5.000 . 6.000 2.922 2.269 3.486 . 0 0 "[ . 1 . 2 ]" 1
1912 1 99 THR MG 1 105 LEU QB 4.000 . 4.750 2.941 2.490 3.420 . 0 0 "[ . 1 . 2 ]" 1
1913 1 99 THR MG 1 106 SER H 5.000 . 6.000 4.942 4.573 5.020 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 812
_Distance_constraint_stats_list.Viol_total 673.624
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0258
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0361
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 LYS 0.961 0.072 6 0 "[ . 1 . 2 ]"
1 10 GLY 0.308 0.044 7 0 "[ . 1 . 2 ]"
1 11 MET 2.106 0.100 14 0 "[ . 1 . 2 ]"
1 12 ARG 0.749 0.091 16 0 "[ . 1 . 2 ]"
1 13 VAL 0.785 0.066 23 0 "[ . 1 . 2 ]"
1 14 LEU 2.697 0.104 21 0 "[ . 1 . 2 ]"
1 15 THR 0.200 0.041 16 0 "[ . 1 . 2 ]"
1 16 LYS 2.042 0.112 23 0 "[ . 1 . 2 ]"
1 17 MET 4.118 0.152 21 0 "[ . 1 . 2 ]"
1 20 PHE 4.118 0.152 21 0 "[ . 1 . 2 ]"
1 23 TRP 2.623 0.158 19 0 "[ . 1 . 2 ]"
1 24 PRO 1.767 0.104 20 0 "[ . 1 . 2 ]"
1 25 SER 0.785 0.066 23 0 "[ . 1 . 2 ]"
1 26 MET 0.492 0.041 11 0 "[ . 1 . 2 ]"
1 27 VAL 1.452 0.100 14 0 "[ . 1 . 2 ]"
1 28 VAL 1.351 0.079 12 0 "[ . 1 . 2 ]"
1 37 ALA 0.121 0.021 8 0 "[ . 1 . 2 ]"
1 49 TYR 0.976 0.067 20 0 "[ . 1 . 2 ]"
1 50 PRO 1.351 0.079 12 0 "[ . 1 . 2 ]"
1 51 VAL 0.599 0.055 2 0 "[ . 1 . 2 ]"
1 52 ILE 0.492 0.041 11 0 "[ . 1 . 2 ]"
1 53 PHE 0.804 0.071 1 0 "[ . 1 . 2 ]"
1 54 PHE 4.190 0.158 19 0 "[ . 1 . 2 ]"
1 58 GLU 0.804 0.071 1 0 "[ . 1 . 2 ]"
1 60 LEU 0.599 0.055 2 0 "[ . 1 . 2 ]"
1 61 TRP 0.121 0.021 8 0 "[ . 1 . 2 ]"
1 62 THR 0.976 0.067 20 0 "[ . 1 . 2 ]"
1 64 SER 0.487 0.055 10 0 "[ . 1 . 2 ]"
1 66 SER 2.042 0.112 23 0 "[ . 1 . 2 ]"
1 67 LEU 0.487 0.055 10 0 "[ . 1 . 2 ]"
1 68 THR 2.697 0.104 21 0 "[ . 1 . 2 ]"
1 70 LEU 0.749 0.091 16 0 "[ . 1 . 2 ]"
1 71 THR 1.153 0.068 17 0 "[ . 1 . 2 ]"
1 72 SER 0.036 0.031 4 0 "[ . 1 . 2 ]"
1 73 GLU 0.048 0.024 22 0 "[ . 1 . 2 ]"
1 74 ALA 1.685 0.068 17 0 "[ . 1 . 2 ]"
1 75 ILE 0.859 0.167 17 0 "[ . 1 . 2 ]"
1 76 SER 0.440 0.063 9 0 "[ . 1 . 2 ]"
1 77 GLN 0.587 0.049 14 0 "[ . 1 . 2 ]"
1 78 PHE 0.788 0.058 16 0 "[ . 1 . 2 ]"
1 79 LEU 0.603 0.167 17 0 "[ . 1 . 2 ]"
1 80 GLU 0.403 0.063 9 0 "[ . 1 . 2 ]"
1 81 LYS 0.540 0.049 14 0 "[ . 1 . 2 ]"
1 86 THR 0.263 0.029 3 0 "[ . 1 . 2 ]"
1 87 ALA 0.879 0.056 8 0 "[ . 1 . 2 ]"
1 88 SER 0.288 0.087 19 0 "[ . 1 . 2 ]"
1 89 LEU 0.352 0.048 19 0 "[ . 1 . 2 ]"
1 90 ILE 0.196 0.066 18 0 "[ . 1 . 2 ]"
1 91 LYS 1.201 0.082 18 0 "[ . 1 . 2 ]"
1 92 ALA 0.445 0.087 19 0 "[ . 1 . 2 ]"
1 93 TYR 1.588 0.070 19 0 "[ . 1 . 2 ]"
1 94 LYS 0.196 0.066 18 0 "[ . 1 . 2 ]"
1 95 MET 0.322 0.082 18 0 "[ . 1 . 2 ]"
1 96 ALA 0.157 0.027 9 0 "[ . 1 . 2 ]"
1 97 GLN 1.499 0.070 19 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LYS O 1 11 MET H 1.950 . 2.100 2.140 2.113 2.172 0.072 6 0 "[ . 1 . 2 ]" 2
2 1 8 LYS O 1 11 MET N 2.900 2.700 3.100 3.049 3.018 3.092 . 0 0 "[ . 1 . 2 ]" 2
3 1 14 LEU H 1 68 THR O 1.950 . 2.100 1.726 1.696 1.746 0.104 21 0 "[ . 1 . 2 ]" 2
4 1 14 LEU N 1 68 THR O 2.900 2.700 3.100 2.669 2.654 2.702 0.046 21 0 "[ . 1 . 2 ]" 2
5 1 16 LYS H 1 66 SER O 1.950 . 2.100 2.166 2.120 2.212 0.112 23 0 "[ . 1 . 2 ]" 2
6 1 16 LYS N 1 66 SER O 2.900 2.700 3.100 3.121 3.081 3.161 0.061 23 0 "[ . 1 . 2 ]" 2
7 1 14 LEU O 1 68 THR H 1.950 . 2.100 2.096 2.026 2.148 0.048 20 0 "[ . 1 . 2 ]" 2
8 1 14 LEU O 1 68 THR N 2.900 2.700 3.100 3.022 2.943 3.085 . 0 0 "[ . 1 . 2 ]" 2
9 1 12 ARG O 1 70 LEU H 1.950 . 2.100 2.113 1.965 2.191 0.091 16 0 "[ . 1 . 2 ]" 2
10 1 12 ARG O 1 70 LEU N 2.900 2.700 3.100 2.942 2.783 3.052 . 0 0 "[ . 1 . 2 ]" 2
11 1 10 GLY H 1 27 VAL O 1.950 . 2.100 1.889 1.756 2.124 0.044 7 0 "[ . 1 . 2 ]" 2
12 1 10 GLY N 1 27 VAL O 2.900 2.700 3.100 2.804 2.666 3.042 0.034 22 0 "[ . 1 . 2 ]" 2
13 1 13 VAL H 1 25 SER O 1.950 . 2.100 1.805 1.759 1.915 0.041 22 0 "[ . 1 . 2 ]" 2
14 1 13 VAL N 1 25 SER O 2.900 2.700 3.100 2.684 2.634 2.820 0.066 23 0 "[ . 1 . 2 ]" 2
15 1 15 THR H 1 23 TRP O 1.950 . 2.100 1.862 1.759 2.059 0.041 16 0 "[ . 1 . 2 ]" 2
16 1 15 THR N 1 23 TRP O 2.900 2.700 3.100 2.811 2.706 2.995 . 0 0 "[ . 1 . 2 ]" 2
17 1 17 MET H 1 20 PHE O 1.950 . 2.100 2.219 2.196 2.252 0.152 21 0 "[ . 1 . 2 ]" 2
18 1 17 MET N 1 20 PHE O 2.900 2.700 3.100 3.117 3.008 3.166 0.066 9 0 "[ . 1 . 2 ]" 2
19 1 17 MET O 1 20 PHE H 1.950 . 2.100 1.808 1.778 1.859 0.022 5 0 "[ . 1 . 2 ]" 2
20 1 17 MET O 1 20 PHE N 2.900 2.700 3.100 2.680 2.654 2.773 0.046 5 0 "[ . 1 . 2 ]" 2
21 1 15 THR O 1 23 TRP H 1.950 . 2.100 1.991 1.793 2.126 0.026 15 0 "[ . 1 . 2 ]" 2
22 1 15 THR O 1 23 TRP N 2.900 2.700 3.100 2.955 2.749 3.090 . 0 0 "[ . 1 . 2 ]" 2
23 1 13 VAL O 1 25 SER H 1.950 . 2.100 1.889 1.784 2.023 0.016 1 0 "[ . 1 . 2 ]" 2
24 1 13 VAL O 1 25 SER N 2.900 2.700 3.100 2.818 2.701 2.935 . 0 0 "[ . 1 . 2 ]" 2
25 1 11 MET O 1 27 VAL H 1.950 . 2.100 2.143 2.055 2.200 0.100 14 0 "[ . 1 . 2 ]" 2
26 1 11 MET O 1 27 VAL N 2.900 2.700 3.100 3.076 2.970 3.126 0.026 14 0 "[ . 1 . 2 ]" 2
27 1 26 MET H 1 52 ILE O 1.950 . 2.100 2.066 1.944 2.141 0.041 11 0 "[ . 1 . 2 ]" 2
28 1 26 MET N 1 52 ILE O 2.900 2.700 3.100 2.934 2.824 3.000 . 0 0 "[ . 1 . 2 ]" 2
29 1 28 VAL H 1 50 PRO O 1.950 . 2.100 1.806 1.767 1.875 0.033 15 0 "[ . 1 . 2 ]" 2
30 1 28 VAL N 1 50 PRO O 2.900 2.700 3.100 2.651 2.621 2.680 0.079 12 0 "[ . 1 . 2 ]" 2
31 1 26 MET O 1 52 ILE H 1.950 . 2.100 1.815 1.759 1.990 0.041 17 0 "[ . 1 . 2 ]" 2
32 1 26 MET O 1 52 ILE N 2.900 2.700 3.100 2.709 2.664 2.860 0.036 10 0 "[ . 1 . 2 ]" 2
33 1 24 PRO O 1 54 PHE H 1.950 . 2.100 2.175 2.139 2.204 0.104 20 0 "[ . 1 . 2 ]" 2
34 1 24 PRO O 1 54 PHE N 2.900 2.700 3.100 3.068 3.019 3.121 0.021 1 0 "[ . 1 . 2 ]" 2
35 1 49 TYR H 1 62 THR O 1.950 . 2.100 1.806 1.756 2.035 0.044 9 0 "[ . 1 . 2 ]" 2
36 1 49 TYR N 1 62 THR O 2.900 2.700 3.100 2.733 2.686 2.931 0.014 22 0 "[ . 1 . 2 ]" 2
37 1 51 VAL H 1 60 LEU O 1.950 . 2.100 1.776 1.745 1.837 0.055 2 0 "[ . 1 . 2 ]" 2
38 1 51 VAL N 1 60 LEU O 2.900 2.700 3.100 2.737 2.718 2.779 . 0 0 "[ . 1 . 2 ]" 2
39 1 53 PHE H 1 58 GLU O 1.950 . 2.100 1.853 1.754 2.171 0.071 1 0 "[ . 1 . 2 ]" 2
40 1 53 PHE N 1 58 GLU O 2.900 2.700 3.100 2.723 2.661 3.005 0.039 21 0 "[ . 1 . 2 ]" 2
41 1 53 PHE O 1 58 GLU H 1.950 . 2.100 2.049 1.775 2.169 0.069 18 0 "[ . 1 . 2 ]" 2
42 1 53 PHE O 1 58 GLU N 2.900 2.700 3.100 2.820 2.668 3.050 0.032 23 0 "[ . 1 . 2 ]" 2
43 1 51 VAL O 1 60 LEU H 1.950 . 2.100 1.929 1.795 2.019 0.005 15 0 "[ . 1 . 2 ]" 2
44 1 51 VAL O 1 60 LEU N 2.900 2.700 3.100 2.837 2.725 2.925 . 0 0 "[ . 1 . 2 ]" 2
45 1 49 TYR O 1 62 THR H 1.950 . 2.100 2.114 1.967 2.167 0.067 20 0 "[ . 1 . 2 ]" 2
46 1 49 TYR O 1 62 THR N 2.900 2.700 3.100 3.042 2.901 3.108 0.008 11 0 "[ . 1 . 2 ]" 2
47 1 64 SER O 1 67 LEU H 1.950 . 2.100 2.121 2.102 2.155 0.055 10 0 "[ . 1 . 2 ]" 2
48 1 64 SER O 1 67 LEU N 2.900 2.700 3.100 2.993 2.961 3.037 . 0 0 "[ . 1 . 2 ]" 2
49 1 77 GLN O 1 81 LYS H 1.950 . 2.100 2.116 1.938 2.149 0.049 14 0 "[ . 1 . 2 ]" 2
50 1 77 GLN O 1 81 LYS N 2.900 2.700 3.100 3.046 2.831 3.088 . 0 0 "[ . 1 . 2 ]" 2
51 1 76 SER O 1 80 GLU H 1.950 . 2.100 2.085 1.898 2.163 0.063 9 0 "[ . 1 . 2 ]" 2
52 1 76 SER O 1 80 GLU N 2.900 2.700 3.100 3.037 2.848 3.107 0.007 9 0 "[ . 1 . 2 ]" 2
53 1 75 ILE O 1 79 LEU H 1.950 . 2.100 2.095 1.942 2.267 0.167 17 0 "[ . 1 . 2 ]" 2
54 1 75 ILE O 1 79 LEU N 2.900 2.700 3.100 3.045 2.892 3.208 0.108 17 0 "[ . 1 . 2 ]" 2
55 1 74 ALA O 1 78 PHE H 1.950 . 2.100 2.131 2.032 2.158 0.058 16 0 "[ . 1 . 2 ]" 2
56 1 74 ALA O 1 78 PHE N 2.900 2.700 3.100 3.044 2.780 3.101 0.001 22 0 "[ . 1 . 2 ]" 2
57 1 73 GLU O 1 77 GLN H 1.950 . 2.100 1.985 1.789 2.124 0.024 22 0 "[ . 1 . 2 ]" 2
58 1 73 GLU O 1 77 GLN N 2.900 2.700 3.100 2.932 2.744 3.081 . 0 0 "[ . 1 . 2 ]" 2
59 1 72 SER O 1 76 SER H 1.950 . 2.100 1.978 1.769 2.106 0.031 4 0 "[ . 1 . 2 ]" 2
60 1 72 SER O 1 76 SER N 2.900 2.700 3.100 2.950 2.746 3.081 . 0 0 "[ . 1 . 2 ]" 2
61 1 71 THR O 1 75 ILE H 1.950 . 2.100 2.082 1.916 2.146 0.046 20 0 "[ . 1 . 2 ]" 2
62 1 71 THR O 1 75 ILE N 2.900 2.700 3.100 3.025 2.870 3.090 . 0 0 "[ . 1 . 2 ]" 2
63 1 93 TYR O 1 97 GLN H 1.950 . 2.100 1.802 1.732 1.884 0.068 9 0 "[ . 1 . 2 ]" 2
64 1 93 TYR O 1 97 GLN N 2.900 2.700 3.100 2.653 2.630 2.687 0.070 19 0 "[ . 1 . 2 ]" 2
65 1 92 ALA O 1 96 ALA H 1.950 . 2.100 1.842 1.773 2.021 0.027 9 0 "[ . 1 . 2 ]" 2
66 1 92 ALA O 1 96 ALA N 2.900 2.700 3.100 2.749 2.674 2.927 0.026 17 0 "[ . 1 . 2 ]" 2
67 1 91 LYS O 1 95 MET H 1.950 . 2.100 2.071 1.861 2.182 0.082 18 0 "[ . 1 . 2 ]" 2
68 1 91 LYS O 1 95 MET N 2.900 2.700 3.100 2.956 2.779 3.095 . 0 0 "[ . 1 . 2 ]" 2
69 1 90 ILE O 1 94 LYS H 1.950 . 2.100 2.057 1.894 2.166 0.066 18 0 "[ . 1 . 2 ]" 2
70 1 90 ILE O 1 94 LYS N 2.900 2.700 3.100 3.005 2.835 3.107 0.007 18 0 "[ . 1 . 2 ]" 2
71 1 89 LEU O 1 93 TYR H 1.950 . 2.100 1.908 1.752 2.072 0.048 19 0 "[ . 1 . 2 ]" 2
72 1 89 LEU O 1 93 TYR N 2.900 2.700 3.100 2.832 2.697 2.986 0.003 19 0 "[ . 1 . 2 ]" 2
73 1 88 SER O 1 92 ALA H 1.950 . 2.100 2.025 1.907 2.160 0.060 5 0 "[ . 1 . 2 ]" 2
74 1 88 SER O 1 92 ALA N 2.900 2.700 3.100 2.742 2.613 2.881 0.087 19 0 "[ . 1 . 2 ]" 2
75 1 87 ALA O 1 91 LYS H 1.950 . 2.100 2.138 2.109 2.156 0.056 8 0 "[ . 1 . 2 ]" 2
76 1 87 ALA O 1 91 LYS N 2.900 2.700 3.100 3.003 2.950 3.042 . 0 0 "[ . 1 . 2 ]" 2
77 1 86 THR O 1 90 ILE H 1.950 . 2.100 1.967 1.844 2.046 . 0 0 "[ . 1 . 2 ]" 2
78 1 86 THR O 1 90 ILE N 2.900 2.700 3.100 2.936 2.799 3.018 . 0 0 "[ . 1 . 2 ]" 2
79 1 86 THR OG1 1 89 LEU H 1.950 . 2.100 2.077 1.785 2.129 0.029 3 0 "[ . 1 . 2 ]" 2
80 1 86 THR OG1 1 89 LEU N 2.900 2.700 3.100 3.045 2.695 3.106 0.006 3 0 "[ . 1 . 2 ]" 2
81 1 71 THR OG1 1 74 ALA H 1.950 . 2.100 2.136 2.114 2.168 0.068 17 0 "[ . 1 . 2 ]" 2
82 1 71 THR OG1 1 74 ALA N 2.900 2.700 3.100 3.079 3.024 3.116 0.016 8 0 "[ . 1 . 2 ]" 2
83 1 23 TRP HE1 1 54 PHE O 1.950 . 2.100 2.205 2.159 2.258 0.158 19 0 "[ . 1 . 2 ]" 2
84 1 23 TRP NE1 1 54 PHE O 2.900 2.700 3.100 2.970 2.856 3.063 . 0 0 "[ . 1 . 2 ]" 2
85 1 37 ALA O 1 61 TRP HE1 1.950 . 2.100 2.056 1.910 2.121 0.021 8 0 "[ . 1 . 2 ]" 2
86 1 37 ALA O 1 61 TRP NE1 2.900 2.700 3.100 2.940 2.795 3.051 . 0 0 "[ . 1 . 2 ]" 2
87 1 8 LYS H 1 11 MET SD 2.450 2.300 2.600 2.520 2.492 2.610 0.010 23 0 "[ . 1 . 2 ]" 2
88 1 8 LYS N 1 11 MET SD 3.400 3.200 3.600 3.358 3.185 3.562 0.015 15 0 "[ . 1 . 2 ]" 2
stop_
save_
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