NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390107 |
1o7b   |
6392 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1o7b
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 1120
_Distance_constraint_stats_list.Viol_count 2992
_Distance_constraint_stats_list.Viol_total 3405.362
_Distance_constraint_stats_list.Viol_max 0.992
_Distance_constraint_stats_list.Viol_rms 0.0473
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0076
_Distance_constraint_stats_list.Viol_average_violations_only 0.0569
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 6.929 0.668 6 3 "[ .+ 1 - . * 2]"
1 2 VAL 7.995 0.668 6 3 "[ .+ 1 - . * 2]"
1 3 TYR 3.926 0.150 12 0 "[ . 1 . 2]"
1 4 HIS 5.415 0.590 12 1 "[ . 1 + . 2]"
1 5 ARG 1.404 0.620 20 1 "[ . 1 . +]"
1 6 GLU 9.357 0.841 7 6 "[ - * + 1 * .* *2]"
1 7 ALA 5.930 0.841 7 6 "[ * - + 1 * .* *2]"
1 8 ARG 0.163 0.026 13 0 "[ . 1 . 2]"
1 9 SER 0.500 0.136 17 0 "[ . 1 . 2]"
1 10 GLY 3.272 0.257 3 0 "[ . 1 . 2]"
1 11 LYS 1.134 0.083 1 0 "[ . 1 . 2]"
1 12 TYR 1.309 0.059 3 0 "[ . 1 . 2]"
1 13 LYS 1.102 0.197 12 0 "[ . 1 . 2]"
1 14 LEU 7.917 0.675 3 6 "[ *+ * *-1 .* 2]"
1 15 THR 0.115 0.028 18 0 "[ . 1 . 2]"
1 16 TYR 1.824 0.050 11 0 "[ . 1 . 2]"
1 17 ALA 1.724 0.312 10 0 "[ . 1 . 2]"
1 18 GLU 2.900 0.091 17 0 "[ . 1 . 2]"
1 19 ALA 7.412 0.675 3 6 "[ *+ * *-1 .* 2]"
1 20 LYS 4.053 0.197 16 0 "[ . 1 . 2]"
1 21 ALA 1.363 0.043 17 0 "[ . 1 . 2]"
1 22 VAL 4.252 0.083 16 0 "[ . 1 . 2]"
1 23 CYS 3.278 0.210 9 0 "[ . 1 . 2]"
1 24 GLU 3.684 0.664 5 1 "[ + 1 . 2]"
1 25 PHE 0.524 0.050 20 0 "[ . 1 . 2]"
1 26 GLU 3.984 0.506 20 1 "[ . 1 . +]"
1 27 GLY 0.943 0.065 16 0 "[ . 1 . 2]"
1 28 GLY 2.685 0.085 18 0 "[ . 1 . 2]"
1 29 HIS 9.894 0.664 5 1 "[ + 1 . 2]"
1 30 LEU 1.991 0.072 6 0 "[ . 1 . 2]"
1 31 ALA 2.725 0.095 11 0 "[ . 1 . 2]"
1 32 THR 2.594 0.095 11 0 "[ . 1 . 2]"
1 33 TYR 1.145 0.050 3 0 "[ . 1 . 2]"
1 34 LYS 2.176 0.202 3 0 "[ . 1 . 2]"
1 35 GLN 2.585 0.202 3 0 "[ . 1 . 2]"
1 36 LEU 6.153 0.809 10 5 "[* * + -. * 2]"
1 37 GLU 1.867 0.117 11 0 "[ . 1 . 2]"
1 38 ALA 7.951 0.714 14 3 "[ . -1 +. *]"
1 39 ALA 1.470 0.057 11 0 "[ . 1 . 2]"
1 40 ARG 2.211 0.087 19 0 "[ . 1 . 2]"
1 41 LYS 10.141 0.819 4 5 "[ +. -1 *. **]"
1 42 ILE 0.648 0.066 13 0 "[ . 1 . 2]"
1 43 GLY 2.832 0.761 11 1 "[ . 1+ . 2]"
1 44 PHE 8.799 0.809 10 6 "[* * +- *. * 2]"
1 45 HIS 2.163 0.265 14 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 CYS 0.376 0.031 7 0 "[ . 1 . 2]"
1 48 ALA 1.070 0.062 16 0 "[ . 1 . 2]"
1 49 ALA 1.484 0.062 16 0 "[ . 1 . 2]"
1 50 GLY 2.126 0.992 3 2 "[ + . - 1 . 2]"
1 51 TRP 3.978 0.212 18 0 "[ . 1 . 2]"
1 52 MET 0.393 0.029 3 0 "[ . 1 . 2]"
1 53 ALA 0.755 0.075 10 0 "[ . 1 . 2]"
1 54 LYS 0.881 0.075 10 0 "[ . 1 . 2]"
1 55 GLY 3.940 0.240 10 0 "[ . 1 . 2]"
1 56 ARG 3.557 0.595 6 4 "[ * .+ 1 - . * 2]"
1 57 VAL 0.603 0.153 13 0 "[ . 1 . 2]"
1 58 GLY 1.471 0.111 12 0 "[ . 1 . 2]"
1 59 TYR 6.213 0.296 16 0 "[ . 1 . 2]"
1 60 PRO 0.011 0.011 14 0 "[ . 1 . 2]"
1 61 ILE 3.118 0.377 16 0 "[ . 1 . 2]"
1 62 VAL 0.780 0.477 11 0 "[ . 1 . 2]"
1 63 LYS 1.359 0.053 14 0 "[ . 1 . 2]"
1 64 PRO 0.039 0.009 1 0 "[ . 1 . 2]"
1 65 GLY 2.617 0.768 17 1 "[ . 1 . + 2]"
1 66 PRO 2.640 0.768 17 1 "[ . 1 . + 2]"
1 67 ASN 1.694 0.321 2 0 "[ . 1 . 2]"
1 68 CYS 3.239 0.948 6 2 "[ .+ 1 . -]"
1 69 GLY 3.043 0.948 6 2 "[ .+ 1 . -]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLY 0.653 0.070 10 0 "[ . 1 . 2]"
1 72 LYS 0.858 0.105 7 0 "[ . 1 . 2]"
1 73 THR 0.033 0.028 7 0 "[ . 1 . 2]"
1 74 GLY 0.172 0.021 3 0 "[ . 1 . 2]"
1 75 ILE 0.769 0.035 15 0 "[ . 1 . 2]"
1 76 ILE 2.047 0.068 16 0 "[ . 1 . 2]"
1 77 ASP 0.592 0.042 13 0 "[ . 1 . 2]"
1 78 TYR 3.462 0.295 13 0 "[ . 1 . 2]"
1 79 GLY 6.654 0.295 13 0 "[ . 1 . 2]"
1 80 ILE 5.011 0.595 6 4 "[ * .+ 1 - . * 2]"
1 81 ARG 0.267 0.078 5 0 "[ . 1 . 2]"
1 82 LEU 0.385 0.122 6 0 "[ . 1 . 2]"
1 83 ASN 4.287 0.593 12 5 "[ **- * 1 + . 2]"
1 84 ARG 6.696 0.911 7 7 "[ . +* - ** ** 2]"
1 85 SER 0.315 0.305 12 0 "[ . 1 . 2]"
1 86 GLU 1.082 0.212 18 0 "[ . 1 . 2]"
1 87 ARG 0.831 0.072 6 0 "[ . 1 . 2]"
1 88 TRP 7.084 0.774 8 4 "[ * .* + 1- . 2]"
1 89 ASP 9.217 0.992 3 4 "[ + .* * 1- . 2]"
1 90 ALA 3.106 0.885 3 2 "[ + . - 1 . 2]"
1 91 TYR 4.478 0.590 12 1 "[ . 1 + . 2]"
1 92 CYS 2.488 0.090 17 0 "[ . 1 . 2]"
1 93 TYR 4.295 0.261 15 0 "[ . 1 . 2]"
1 94 ASN 1.267 0.085 18 0 "[ . 1 . 2]"
1 95 PRO 2.588 0.261 15 0 "[ . 1 . 2]"
1 96 HIS 0.131 0.036 1 0 "[ . 1 . 2]"
1 97 ALA 0.801 0.063 16 0 "[ . 1 . 2]"
1 98 LYS 0.970 0.524 2 1 "[ + . 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 1 GLY HA3 1 2 VAL H 0.000 . 2.700 2.627 2.139 3.368 0.668 6 3 "[ .+ 1 - . * 2]" 1
2 1 1 GLY HA3 1 94 ASN H 0.000 . 5.000 4.070 3.182 4.825 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 2 VAL MG1 0.000 . 5.000 3.963 3.370 4.710 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 2 VAL H 0.000 . 3.500 2.728 2.143 3.432 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 94 ASN H 0.000 . 5.000 4.529 3.898 5.005 0.005 12 0 "[ . 1 . 2]" 1
6 1 10 GLY H 1 10 GLY HA3 0.000 . 2.700 2.805 2.628 2.957 0.257 3 0 "[ . 1 . 2]" 1
7 1 10 GLY HA3 1 11 LYS H 0.000 . 2.700 2.447 2.325 2.702 0.002 12 0 "[ . 1 . 2]" 1
8 1 10 GLY H 1 10 GLY HA2 0.000 . 3.000 2.705 2.349 2.929 . 0 0 "[ . 1 . 2]" 1
9 1 10 GLY HA2 1 11 LYS H 0.000 . 2.700 2.678 2.433 2.783 0.083 1 0 "[ . 1 . 2]" 1
10 1 8 ARG H 1 10 GLY H 0.000 . 5.000 4.027 3.625 4.476 . 0 0 "[ . 1 . 2]" 1
11 1 9 SER H 1 10 GLY H 0.000 . 5.000 2.020 1.526 2.479 . 0 0 "[ . 1 . 2]" 1
12 1 6 GLU HB3 1 11 LYS HA 0.000 . 5.000 3.345 2.906 4.437 . 0 0 "[ . 1 . 2]" 1
13 1 6 GLU HB2 1 11 LYS HA 0.000 . 5.000 2.630 1.504 4.760 . 0 0 "[ . 1 . 2]" 1
14 1 11 LYS H 1 11 LYS HB3 0.000 . 2.700 2.645 2.355 2.775 0.075 14 0 "[ . 1 . 2]" 1
15 1 11 LYS HB3 1 12 TYR QD 0.000 . 5.000 4.434 3.133 5.011 0.011 20 0 "[ . 1 . 2]" 1
16 1 11 LYS HB3 1 12 TYR H 0.000 . 5.000 3.744 3.426 4.131 . 0 0 "[ . 1 . 2]" 1
17 1 11 LYS HA 1 11 LYS HB2 0.000 . 2.700 2.529 2.381 2.593 . 0 0 "[ . 1 . 2]" 1
18 1 11 LYS H 1 11 LYS HB2 0.000 . 2.700 2.630 2.358 2.751 0.051 17 0 "[ . 1 . 2]" 1
19 1 11 LYS HB2 1 12 TYR H 0.000 . 5.000 4.071 3.865 4.372 . 0 0 "[ . 1 . 2]" 1
20 1 11 LYS H 1 11 LYS QG 0.000 . 5.000 4.037 3.951 4.144 . 0 0 "[ . 1 . 2]" 1
21 1 11 LYS QG 1 12 TYR QD 0.000 . 3.500 2.952 2.198 3.347 . 0 0 "[ . 1 . 2]" 1
22 1 11 LYS QG 1 12 TYR H 0.000 . 5.000 2.133 1.718 2.658 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLY H 1 11 LYS H 0.000 . 5.000 4.414 4.326 4.550 . 0 0 "[ . 1 . 2]" 1
24 1 12 TYR HA 1 12 TYR QD 0.000 . 2.700 1.973 1.653 2.408 . 0 0 "[ . 1 . 2]" 1
25 1 12 TYR H 1 12 TYR HA 0.000 . 2.700 2.280 2.272 2.303 . 0 0 "[ . 1 . 2]" 1
26 1 12 TYR HA 1 13 LYS H 0.000 . 3.500 2.572 2.398 3.063 . 0 0 "[ . 1 . 2]" 1
27 1 12 TYR HA 1 14 LEU H 0.000 . 5.000 3.585 2.989 3.797 . 0 0 "[ . 1 . 2]" 1
28 1 12 TYR HB3 1 12 TYR QD 0.000 . 2.700 2.595 2.385 2.712 0.012 3 0 "[ . 1 . 2]" 1
29 1 12 TYR HB3 1 13 LYS H 0.000 . 5.000 3.899 1.696 4.352 . 0 0 "[ . 1 . 2]" 1
30 1 12 TYR HB2 1 12 TYR QD 0.000 . 2.700 2.545 2.276 2.759 0.059 18 0 "[ . 1 . 2]" 1
31 1 12 TYR H 1 12 TYR QD 0.000 . 3.500 2.788 2.121 3.508 0.008 10 0 "[ . 1 . 2]" 1
32 1 12 TYR QD 1 13 LYS H 0.000 . 5.000 4.112 3.837 4.527 . 0 0 "[ . 1 . 2]" 1
33 1 12 TYR QD 1 89 ASP H 0.000 . 5.000 3.777 2.809 4.448 . 0 0 "[ . 1 . 2]" 1
34 1 12 TYR QE 1 49 ALA H 0.000 . 3.500 2.480 2.095 2.687 . 0 0 "[ . 1 . 2]" 1
35 1 12 TYR QE 1 89 ASP H 0.000 . 5.000 4.107 3.676 4.784 . 0 0 "[ . 1 . 2]" 1
36 1 11 LYS HA 1 12 TYR H 0.000 . 2.700 2.269 2.153 2.380 . 0 0 "[ . 1 . 2]" 1
37 1 13 LYS HA 1 14 LEU H 0.000 . 5.000 3.085 2.842 3.359 . 0 0 "[ . 1 . 2]" 1
38 1 13 LYS HA 1 13 LYS HB3 0.000 . 2.700 2.422 2.293 2.603 . 0 0 "[ . 1 . 2]" 1
39 1 13 LYS H 1 13 LYS HB2 0.000 . 4.000 3.864 2.807 4.080 0.080 18 0 "[ . 1 . 2]" 1
40 1 11 LYS H 1 13 LYS QE 0.000 . 5.000 4.193 3.289 4.990 . 0 0 "[ . 1 . 2]" 1
41 1 10 GLY H 1 13 LYS QG 0.000 . 5.000 4.081 2.985 5.009 0.009 4 0 "[ . 1 . 2]" 1
42 1 11 LYS H 1 13 LYS QG 0.000 . 5.000 3.863 3.130 4.798 . 0 0 "[ . 1 . 2]" 1
43 1 13 LYS HA 1 13 LYS QG 0.000 . 3.500 3.154 2.328 3.385 . 0 0 "[ . 1 . 2]" 1
44 1 13 LYS H 1 13 LYS QG 0.000 . 3.500 2.704 2.396 3.511 0.011 7 0 "[ . 1 . 2]" 1
45 1 12 TYR H 1 13 LYS H 0.000 . 5.000 3.309 2.859 4.642 . 0 0 "[ . 1 . 2]" 1
46 1 13 LYS H 1 14 LEU H 0.000 . 3.500 1.865 1.515 2.655 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU HA 1 15 THR H 0.000 . 2.700 2.321 2.196 2.482 . 0 0 "[ . 1 . 2]" 1
48 1 14 LEU HA 1 19 ALA H 0.000 . 5.000 4.936 4.675 5.074 0.074 20 0 "[ . 1 . 2]" 1
49 1 14 LEU H 1 14 LEU HB3 0.000 . 3.500 3.303 2.747 3.608 0.108 4 0 "[ . 1 . 2]" 1
50 1 13 LYS H 1 14 LEU HB2 0.000 . 5.000 4.109 3.258 5.197 0.197 12 0 "[ . 1 . 2]" 1
51 1 14 LEU H 1 14 LEU HB2 0.000 . 3.500 2.703 2.201 3.660 0.160 7 0 "[ . 1 . 2]" 1
52 1 14 LEU HB2 1 15 THR H 0.000 . 5.000 3.555 2.276 4.255 . 0 0 "[ . 1 . 2]" 1
53 1 14 LEU HB2 1 19 ALA H 0.000 . 5.000 4.700 3.132 5.675 0.675 3 6 "[ *+ * *-1 .* 2]" 1
54 1 14 LEU HB2 1 88 TRP H 0.000 . 5.000 3.879 3.027 5.028 0.028 19 0 "[ . 1 . 2]" 1
55 1 10 GLY H 1 14 LEU QD 0.000 . 5.000 4.990 4.851 5.029 0.029 19 0 "[ . 1 . 2]" 1
56 1 14 LEU H 1 14 LEU QD 0.000 . 5.000 3.352 2.728 3.686 . 0 0 "[ . 1 . 2]" 1
57 1 14 LEU QD 1 51 TRP HD1 0.000 . 3.500 2.997 1.659 3.552 0.052 1 0 "[ . 1 . 2]" 1
58 1 8 ARG H 1 14 LEU QD 0.000 . 5.000 3.586 2.878 4.654 . 0 0 "[ . 1 . 2]" 1
59 1 14 LEU QD 1 88 TRP H 0.000 . 5.000 4.224 3.103 4.935 . 0 0 "[ . 1 . 2]" 1
60 1 14 LEU QD 1 15 THR H 0.000 . 5.000 2.664 2.087 3.227 . 0 0 "[ . 1 . 2]" 1
61 1 14 LEU QD 1 18 GLU HB3 0.000 . 3.500 2.601 2.010 3.415 . 0 0 "[ . 1 . 2]" 1
62 1 14 LEU QD 1 18 GLU H 0.000 . 5.000 4.515 4.202 4.899 . 0 0 "[ . 1 . 2]" 1
63 1 14 LEU QD 1 19 ALA H 0.000 . 3.500 2.990 2.224 3.440 . 0 0 "[ . 1 . 2]" 1
64 1 13 LYS H 1 14 LEU QD 0.000 . 5.000 4.026 3.189 4.792 . 0 0 "[ . 1 . 2]" 1
65 1 6 GLU HA 1 14 LEU QD 0.000 . 5.000 2.558 1.984 3.214 . 0 0 "[ . 1 . 2]" 1
66 1 7 ALA H 1 14 LEU QD 0.000 . 3.500 2.775 2.165 3.343 . 0 0 "[ . 1 . 2]" 1
67 1 14 LEU QD 1 89 ASP HA 0.000 . 3.500 2.135 1.417 3.126 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU QD 1 90 ALA MB 0.000 . 3.500 2.375 2.057 2.934 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU QD 1 90 ALA H 0.000 . 5.000 3.480 3.073 3.844 . 0 0 "[ . 1 . 2]" 1
70 1 13 LYS H 1 14 LEU HG 0.000 . 5.000 3.779 3.059 5.001 0.001 10 0 "[ . 1 . 2]" 1
71 1 14 LEU H 1 14 LEU HG 0.000 . 3.500 2.953 2.003 3.523 0.023 8 0 "[ . 1 . 2]" 1
72 1 15 THR HA 1 16 TYR H 0.000 . 5.000 2.859 2.823 2.893 . 0 0 "[ . 1 . 2]" 1
73 1 15 THR HA 1 18 GLU H 0.000 . 5.000 4.853 4.731 4.958 . 0 0 "[ . 1 . 2]" 1
74 1 15 THR HA 1 51 TRP HE1 0.000 . 3.500 3.181 2.710 3.487 . 0 0 "[ . 1 . 2]" 1
75 1 15 THR HA 1 88 TRP H 0.000 . 5.000 4.145 3.573 4.545 . 0 0 "[ . 1 . 2]" 1
76 1 15 THR HB 1 16 TYR H 0.000 . 3.500 1.836 1.768 1.894 . 0 0 "[ . 1 . 2]" 1
77 1 15 THR HB 1 17 ALA H 0.000 . 5.000 3.680 3.448 3.958 . 0 0 "[ . 1 . 2]" 1
78 1 15 THR HA 1 15 THR MG 0.000 . 2.700 2.449 2.306 2.548 . 0 0 "[ . 1 . 2]" 1
79 1 15 THR H 1 15 THR MG 0.000 . 2.700 2.532 2.359 2.661 . 0 0 "[ . 1 . 2]" 1
80 1 15 THR MG 1 85 SER HA 0.000 . 3.500 2.690 2.026 3.041 . 0 0 "[ . 1 . 2]" 1
81 1 16 TYR HA 1 16 TYR QD 0.000 . 2.700 2.468 2.299 2.716 0.016 7 0 "[ . 1 . 2]" 1
82 1 16 TYR HA 1 17 ALA H 0.000 . 5.000 3.561 3.556 3.569 . 0 0 "[ . 1 . 2]" 1
83 1 16 TYR HA 1 19 ALA H 0.000 . 5.000 3.723 3.594 3.887 . 0 0 "[ . 1 . 2]" 1
84 1 16 TYR HA 1 20 LYS H 0.000 . 5.000 4.108 3.847 4.363 . 0 0 "[ . 1 . 2]" 1
85 1 16 TYR HA 1 51 TRP HD1 0.000 . 5.000 4.774 4.378 5.016 0.016 6 0 "[ . 1 . 2]" 1
86 1 16 TYR HB2 1 16 TYR QD 0.000 . 2.700 2.591 2.488 2.676 . 0 0 "[ . 1 . 2]" 1
87 1 16 TYR HB2 1 17 ALA H 0.000 . 5.000 3.669 3.532 3.763 . 0 0 "[ . 1 . 2]" 1
88 1 16 TYR HB2 1 51 TRP HE3 0.000 . 5.000 3.505 2.693 4.189 . 0 0 "[ . 1 . 2]" 1
89 1 16 TYR HB3 1 16 TYR QD 0.000 . 2.700 2.289 2.277 2.326 . 0 0 "[ . 1 . 2]" 1
90 1 16 TYR HB3 1 17 ALA H 0.000 . 2.700 2.218 2.006 2.360 . 0 0 "[ . 1 . 2]" 1
91 1 16 TYR QD 1 17 ALA H 0.000 . 5.000 3.254 2.951 3.453 . 0 0 "[ . 1 . 2]" 1
92 1 16 TYR QE 1 54 LYS H 0.000 . 5.000 4.183 3.604 5.011 0.011 20 0 "[ . 1 . 2]" 1
93 1 16 TYR H 1 18 GLU H 0.000 . 3.500 3.520 3.499 3.541 0.041 20 0 "[ . 1 . 2]" 1
94 1 17 ALA HA 1 18 GLU H 0.000 . 5.000 3.488 3.480 3.500 . 0 0 "[ . 1 . 2]" 1
95 1 17 ALA HA 1 19 ALA H 0.000 . 5.000 4.874 4.615 5.065 0.065 17 0 "[ . 1 . 2]" 1
96 1 17 ALA HA 1 20 LYS HB3 0.000 . 5.000 3.159 3.007 3.350 . 0 0 "[ . 1 . 2]" 1
97 1 16 TYR QD 1 17 ALA MB 0.000 . 3.500 3.496 3.296 3.527 0.027 4 0 "[ . 1 . 2]" 1
98 1 16 TYR H 1 17 ALA MB 0.000 . 5.000 4.205 4.147 4.276 . 0 0 "[ . 1 . 2]" 1
99 1 17 ALA H 1 17 ALA MB 0.000 . 2.700 2.222 2.210 2.235 . 0 0 "[ . 1 . 2]" 1
100 1 17 ALA MB 1 18 GLU H 0.000 . 2.700 2.737 2.708 2.764 0.064 4 0 "[ . 1 . 2]" 1
101 1 16 TYR H 1 17 ALA H 0.000 . 5.000 2.576 2.487 2.729 . 0 0 "[ . 1 . 2]" 1
102 1 17 ALA H 1 18 GLU H 0.000 . 3.500 2.615 2.501 2.731 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU QD 1 18 GLU HA 0.000 . 5.000 4.354 3.916 4.861 . 0 0 "[ . 1 . 2]" 1
104 1 18 GLU HA 1 18 GLU HG2 0.000 . 3.500 2.674 2.621 2.829 . 0 0 "[ . 1 . 2]" 1
105 1 18 GLU HA 1 18 GLU HG3 0.000 . 2.700 2.662 2.440 2.706 0.006 5 0 "[ . 1 . 2]" 1
106 1 18 GLU H 1 18 GLU HA 0.000 . 3.000 2.860 2.840 2.871 . 0 0 "[ . 1 . 2]" 1
107 1 18 GLU HA 1 21 ALA H 0.000 . 3.500 3.483 3.392 3.515 0.015 11 0 "[ . 1 . 2]" 1
108 1 15 THR H 1 18 GLU HB3 0.000 . 3.500 2.990 2.716 3.239 . 0 0 "[ . 1 . 2]" 1
109 1 18 GLU HB3 1 18 GLU HG2 0.000 . 2.700 2.327 2.251 2.350 . 0 0 "[ . 1 . 2]" 1
110 1 18 GLU HB3 1 19 ALA H 0.000 . 5.000 3.145 2.803 3.362 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU QD 1 18 GLU HB2 0.000 . 3.500 2.949 2.435 3.295 . 0 0 "[ . 1 . 2]" 1
112 1 15 THR H 1 18 GLU HB2 0.000 . 2.700 1.836 1.557 2.069 . 0 0 "[ . 1 . 2]" 1
113 1 18 GLU HB2 1 19 ALA H 0.000 . 2.700 2.386 2.193 2.564 . 0 0 "[ . 1 . 2]" 1
114 1 18 GLU H 1 18 GLU HG3 0.000 . 2.700 2.694 2.631 2.791 0.091 17 0 "[ . 1 . 2]" 1
115 1 15 THR H 1 18 GLU H 0.000 . 5.000 3.658 3.361 3.914 . 0 0 "[ . 1 . 2]" 1
116 1 14 LEU QD 1 19 ALA HA 0.000 . 3.500 2.408 2.143 2.713 . 0 0 "[ . 1 . 2]" 1
117 1 15 THR H 1 19 ALA HA 0.000 . 5.000 4.915 4.729 5.028 0.028 18 0 "[ . 1 . 2]" 1
118 1 19 ALA HA 1 20 LYS H 0.000 . 3.500 3.533 3.513 3.550 0.050 16 0 "[ . 1 . 2]" 1
119 1 19 ALA HA 1 22 VAL H 0.000 . 4.000 3.640 3.452 3.739 . 0 0 "[ . 1 . 2]" 1
120 1 16 TYR HA 1 19 ALA MB 0.000 . 3.500 2.773 2.618 2.947 . 0 0 "[ . 1 . 2]" 1
121 1 18 GLU H 1 19 ALA MB 0.000 . 4.000 4.068 4.051 4.090 0.090 14 0 "[ . 1 . 2]" 1
122 1 19 ALA H 1 19 ALA MB 0.000 . 2.700 2.041 2.022 2.071 . 0 0 "[ . 1 . 2]" 1
123 1 19 ALA MB 1 23 CYS H 0.000 . 5.000 4.816 4.721 4.956 . 0 0 "[ . 1 . 2]" 1
124 1 19 ALA MB 1 51 TRP HB2 0.000 . 3.500 2.066 1.830 2.253 . 0 0 "[ . 1 . 2]" 1
125 1 19 ALA MB 1 51 TRP HB3 0.000 . 5.000 2.855 2.452 3.135 . 0 0 "[ . 1 . 2]" 1
126 1 19 ALA MB 1 51 TRP HD1 0.000 . 2.700 2.656 2.473 2.718 0.018 16 0 "[ . 1 . 2]" 1
127 1 19 ALA MB 1 51 TRP HE1 0.000 . 5.000 4.330 4.160 4.480 . 0 0 "[ . 1 . 2]" 1
128 1 19 ALA MB 1 51 TRP H 0.000 . 5.000 3.464 3.315 3.608 . 0 0 "[ . 1 . 2]" 1
129 1 19 ALA MB 1 90 ALA MB 0.000 . 3.500 1.796 1.576 2.002 . 0 0 "[ . 1 . 2]" 1
130 1 17 ALA H 1 19 ALA H 0.000 . 5.000 4.472 4.288 4.628 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLU H 1 19 ALA H 0.000 . 2.700 2.627 2.549 2.738 0.038 19 0 "[ . 1 . 2]" 1
132 1 19 ALA H 1 21 ALA H 0.000 . 5.000 4.393 4.182 4.559 . 0 0 "[ . 1 . 2]" 1
133 1 2 VAL HA 1 3 TYR H 0.000 . 2.700 2.158 2.147 2.183 . 0 0 "[ . 1 . 2]" 1
134 1 2 VAL HA 1 93 TYR QD 0.000 . 3.500 3.213 2.571 3.436 . 0 0 "[ . 1 . 2]" 1
135 1 2 VAL HA 1 94 ASN H 0.000 . 5.000 3.484 3.205 3.596 . 0 0 "[ . 1 . 2]" 1
136 1 1 GLY HA3 1 2 VAL HB 0.000 . 5.000 5.058 4.774 5.550 0.550 17 2 "[ . 1 - . + 2]" 1
137 1 2 VAL H 1 2 VAL HB 0.000 . 3.000 2.974 2.881 3.025 0.025 7 0 "[ . 1 . 2]" 1
138 1 2 VAL HB 1 3 TYR H 0.000 . 5.000 3.989 3.885 4.069 . 0 0 "[ . 1 . 2]" 1
139 1 2 VAL HB 1 93 TYR HA 0.000 . 3.500 3.461 3.005 3.521 0.021 13 0 "[ . 1 . 2]" 1
140 1 2 VAL H 1 2 VAL MG1 0.000 . 3.500 1.719 1.565 1.871 . 0 0 "[ . 1 . 2]" 1
141 1 2 VAL MG1 1 39 ALA MB 0.000 . 3.500 1.901 1.774 2.037 . 0 0 "[ . 1 . 2]" 1
142 1 2 VAL MG1 1 39 ALA H 0.000 . 5.000 3.719 3.505 3.891 . 0 0 "[ . 1 . 2]" 1
143 1 2 VAL MG1 1 44 PHE QE 0.000 . 3.500 3.407 2.690 3.543 0.043 20 0 "[ . 1 . 2]" 1
144 1 2 VAL MG1 1 93 TYR QD 0.000 . 2.700 2.651 2.178 2.714 0.014 19 0 "[ . 1 . 2]" 1
145 1 2 VAL MG1 1 93 TYR QE 0.000 . 2.700 2.707 2.634 2.742 0.042 6 0 "[ . 1 . 2]" 1
146 1 2 VAL MG2 1 3 TYR H 0.000 . 2.700 2.375 2.153 2.624 . 0 0 "[ . 1 . 2]" 1
147 1 2 VAL MG2 1 44 PHE QD 0.000 . 3.500 3.454 3.193 3.521 0.021 20 0 "[ . 1 . 2]" 1
148 1 2 VAL MG2 1 44 PHE QE 0.000 . 2.700 2.238 1.731 2.419 . 0 0 "[ . 1 . 2]" 1
149 1 2 VAL MG2 1 91 TYR QD 0.000 . 3.000 2.978 2.908 3.069 0.069 12 0 "[ . 1 . 2]" 1
150 1 2 VAL MG2 1 91 TYR QE 0.000 . 5.000 4.400 4.298 4.638 . 0 0 "[ . 1 . 2]" 1
151 1 2 VAL MG2 1 92 CYS H 0.000 . 5.000 4.033 3.836 4.155 . 0 0 "[ . 1 . 2]" 1
152 1 2 VAL MG2 1 93 TYR HA 0.000 . 5.000 3.726 3.310 3.831 . 0 0 "[ . 1 . 2]" 1
153 1 2 VAL MG2 1 93 TYR QD 0.000 . 3.500 3.123 2.928 3.431 . 0 0 "[ . 1 . 2]" 1
154 1 2 VAL MG2 1 93 TYR QE 0.000 . 5.000 4.647 4.541 4.756 . 0 0 "[ . 1 . 2]" 1
155 1 20 LYS H 1 20 LYS HA 0.000 . 2.700 2.792 2.772 2.807 0.107 8 0 "[ . 1 . 2]" 1
156 1 20 LYS HA 1 21 ALA H 0.000 . 5.000 3.547 3.531 3.556 . 0 0 "[ . 1 . 2]" 1
157 1 20 LYS HA 1 23 CYS H 0.000 . 5.000 3.622 3.522 3.746 . 0 0 "[ . 1 . 2]" 1
158 1 20 LYS HA 1 24 GLU H 0.000 . 5.000 4.123 3.954 4.386 . 0 0 "[ . 1 . 2]" 1
159 1 20 LYS HA 1 30 LEU H 0.000 . 5.000 3.542 3.389 3.711 . 0 0 "[ . 1 . 2]" 1
160 1 20 LYS H 1 20 LYS HB3 0.000 . 2.700 2.724 2.675 2.759 0.059 16 0 "[ . 1 . 2]" 1
161 1 20 LYS HB3 1 21 ALA H 0.000 . 3.500 2.417 2.273 2.580 . 0 0 "[ . 1 . 2]" 1
162 1 17 ALA HA 1 20 LYS HB2 0.000 . 3.500 3.428 3.213 3.697 0.197 16 0 "[ . 1 . 2]" 1
163 1 20 LYS H 1 20 LYS HB2 0.000 . 2.700 2.308 2.257 2.369 . 0 0 "[ . 1 . 2]" 1
164 1 20 LYS HG2 1 30 LEU H 0.000 . 5.000 4.348 2.974 4.928 . 0 0 "[ . 1 . 2]" 1
165 1 19 ALA MB 1 20 LYS H 0.000 . 3.500 2.647 2.498 2.771 . 0 0 "[ . 1 . 2]" 1
166 1 19 ALA H 1 20 LYS H 0.000 . 3.500 2.838 2.742 2.978 . 0 0 "[ . 1 . 2]" 1
167 1 21 ALA HA 1 22 VAL H 0.000 . 5.000 3.548 3.525 3.559 . 0 0 "[ . 1 . 2]" 1
168 1 21 ALA HA 1 23 CYS H 0.000 . 5.000 4.153 4.033 4.246 . 0 0 "[ . 1 . 2]" 1
169 1 21 ALA HA 1 24 GLU H 0.000 . 3.500 3.521 3.492 3.542 0.042 9 0 "[ . 1 . 2]" 1
170 1 18 GLU HA 1 21 ALA MB 0.000 . 3.500 2.786 2.497 3.010 . 0 0 "[ . 1 . 2]" 1
171 1 21 ALA H 1 21 ALA MB 0.000 . 2.700 2.168 2.031 2.241 . 0 0 "[ . 1 . 2]" 1
172 1 21 ALA MB 1 22 VAL H 0.000 . 2.700 2.513 2.426 2.643 . 0 0 "[ . 1 . 2]" 1
173 1 21 ALA MB 1 23 CYS H 0.000 . 5.000 4.393 4.264 4.523 . 0 0 "[ . 1 . 2]" 1
174 1 20 LYS H 1 21 ALA H 0.000 . 2.700 2.726 2.709 2.743 0.043 17 0 "[ . 1 . 2]" 1
175 1 21 ALA H 1 22 VAL H 0.000 . 2.700 2.712 2.629 2.737 0.037 20 0 "[ . 1 . 2]" 1
176 1 21 ALA MB 1 22 VAL HA 0.000 . 5.000 3.762 3.644 3.845 . 0 0 "[ . 1 . 2]" 1
177 1 22 VAL HA 1 23 CYS H 0.000 . 5.000 3.509 3.492 3.526 . 0 0 "[ . 1 . 2]" 1
178 1 22 VAL HA 1 25 PHE H 0.000 . 5.000 3.785 3.610 4.016 . 0 0 "[ . 1 . 2]" 1
179 1 22 VAL HA 1 26 GLU H 0.000 . 5.000 4.604 4.225 5.010 0.010 20 0 "[ . 1 . 2]" 1
180 1 19 ALA HA 1 22 VAL HB 0.000 . 3.500 2.585 2.477 2.726 . 0 0 "[ . 1 . 2]" 1
181 1 22 VAL H 1 22 VAL HB 0.000 . 2.700 2.174 2.162 2.185 . 0 0 "[ . 1 . 2]" 1
182 1 22 VAL HB 1 23 CYS H 0.000 . 3.500 2.907 2.835 2.982 . 0 0 "[ . 1 . 2]" 1
183 1 19 ALA HA 1 22 VAL MG2 0.000 . 5.000 3.565 3.106 3.763 . 0 0 "[ . 1 . 2]" 1
184 1 22 VAL HA 1 22 VAL MG2 0.000 . 2.700 2.181 2.173 2.195 . 0 0 "[ . 1 . 2]" 1
185 1 22 VAL H 1 22 VAL MG2 0.000 . 2.700 2.741 2.725 2.758 0.058 14 0 "[ . 1 . 2]" 1
186 1 22 VAL MG2 1 23 CYS H 0.000 . 5.000 4.149 4.117 4.180 . 0 0 "[ . 1 . 2]" 1
187 1 22 VAL HA 1 22 VAL MG1 0.000 . 2.700 2.734 2.715 2.753 0.053 14 0 "[ . 1 . 2]" 1
188 1 22 VAL H 1 22 VAL MG1 0.000 . 3.500 3.571 3.558 3.583 0.083 16 0 "[ . 1 . 2]" 1
189 1 22 VAL MG1 1 23 CYS HA 0.000 . 5.000 2.877 2.841 2.920 . 0 0 "[ . 1 . 2]" 1
190 1 22 VAL MG1 1 23 CYS H 0.000 . 2.700 2.732 2.706 2.756 0.056 14 0 "[ . 1 . 2]" 1
191 1 22 VAL MG1 1 25 PHE H 0.000 . 5.000 4.501 4.380 4.790 . 0 0 "[ . 1 . 2]" 1
192 1 5 ARG HE 1 22 VAL MG1 0.000 . 5.000 4.754 4.179 5.007 0.007 3 0 "[ . 1 . 2]" 1
193 1 23 CYS H 1 23 CYS HB2 0.000 . 2.700 2.130 2.065 2.221 . 0 0 "[ . 1 . 2]" 1
194 1 23 CYS HB2 1 24 GLU H 0.000 . 2.700 2.529 2.213 2.910 0.210 9 0 "[ . 1 . 2]" 1
195 1 23 CYS HB2 1 29 HIS H 0.000 . 5.000 4.988 4.621 5.021 0.021 7 0 "[ . 1 . 2]" 1
196 1 23 CYS HB2 1 30 LEU H 0.000 . 5.000 3.790 3.524 4.274 . 0 0 "[ . 1 . 2]" 1
197 1 23 CYS H 1 23 CYS HB3 0.000 . 3.500 3.407 2.945 3.512 0.012 11 0 "[ . 1 . 2]" 1
198 1 23 CYS HB3 1 24 GLU H 0.000 . 2.700 2.689 1.930 2.791 0.091 11 0 "[ . 1 . 2]" 1
199 1 23 CYS HB3 1 29 HIS H 0.000 . 5.000 3.455 3.363 3.963 . 0 0 "[ . 1 . 2]" 1
200 1 23 CYS HB3 1 30 LEU H 0.000 . 5.000 3.787 3.546 4.367 . 0 0 "[ . 1 . 2]" 1
201 1 22 VAL H 1 23 CYS H 0.000 . 2.700 2.716 2.695 2.728 0.028 9 0 "[ . 1 . 2]" 1
202 1 24 GLU H 1 24 GLU HA 0.000 . 3.000 2.779 2.720 2.809 . 0 0 "[ . 1 . 2]" 1
203 1 24 GLU HA 1 28 GLY H 0.000 . 2.700 2.499 1.999 2.738 0.038 15 0 "[ . 1 . 2]" 1
204 1 24 GLU H 1 24 GLU QB 0.000 . 2.700 2.190 2.027 2.686 . 0 0 "[ . 1 . 2]" 1
205 1 24 GLU QB 1 25 PHE H 0.000 . 3.500 3.175 2.965 3.285 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA HA 1 24 GLU HB2 0.000 . 3.500 2.876 2.554 3.071 . 0 0 "[ . 1 . 2]" 1
207 1 24 GLU HA 1 24 GLU HB2 0.000 . 3.000 2.910 2.815 3.017 0.017 4 0 "[ . 1 . 2]" 1
208 1 24 GLU HA 1 24 GLU HG2 0.000 . 3.500 2.501 2.024 2.889 . 0 0 "[ . 1 . 2]" 1
209 1 24 GLU HG2 1 28 GLY H 0.000 . 5.000 4.515 3.333 5.003 0.003 4 0 "[ . 1 . 2]" 1
210 1 24 GLU HG2 1 29 HIS HA 0.000 . 5.000 4.463 3.502 5.003 0.003 8 0 "[ . 1 . 2]" 1
211 1 24 GLU HG3 1 28 GLY H 0.000 . 5.000 4.845 4.346 5.032 0.032 7 0 "[ . 1 . 2]" 1
212 1 24 GLU HG3 1 29 HIS HA 0.000 . 3.500 3.410 2.909 4.164 0.664 5 1 "[ + 1 . 2]" 1
213 1 23 CYS HA 1 24 GLU H 0.000 . 5.000 3.550 3.524 3.559 . 0 0 "[ . 1 . 2]" 1
214 1 23 CYS H 1 24 GLU H 0.000 . 2.700 2.730 2.688 2.770 0.070 14 0 "[ . 1 . 2]" 1
215 1 24 GLU H 1 25 PHE H 0.000 . 3.500 2.741 2.648 2.875 . 0 0 "[ . 1 . 2]" 1
216 1 25 PHE HA 1 25 PHE QD 0.000 . 3.500 2.755 2.657 2.956 . 0 0 "[ . 1 . 2]" 1
217 1 25 PHE HA 1 25 PHE QE 0.000 . 5.000 4.576 4.455 4.708 . 0 0 "[ . 1 . 2]" 1
218 1 25 PHE HA 1 26 GLU H 0.000 . 3.500 3.496 3.456 3.536 0.036 8 0 "[ . 1 . 2]" 1
219 1 22 VAL HA 1 25 PHE HB3 0.000 . 3.500 2.854 2.606 3.170 . 0 0 "[ . 1 . 2]" 1
220 1 25 PHE HB3 1 25 PHE QD 0.000 . 2.700 2.327 2.301 2.388 . 0 0 "[ . 1 . 2]" 1
221 1 25 PHE H 1 25 PHE HB3 0.000 . 3.500 2.543 2.442 2.733 . 0 0 "[ . 1 . 2]" 1
222 1 25 PHE HB3 1 26 GLU H 0.000 . 3.500 2.762 2.350 2.980 . 0 0 "[ . 1 . 2]" 1
223 1 22 VAL HA 1 25 PHE HB2 0.000 . 5.000 3.351 2.898 4.169 . 0 0 "[ . 1 . 2]" 1
224 1 25 PHE HA 1 25 PHE HB2 0.000 . 2.700 2.491 2.443 2.594 . 0 0 "[ . 1 . 2]" 1
225 1 25 PHE HB2 1 25 PHE QD 0.000 . 2.700 2.456 2.384 2.495 . 0 0 "[ . 1 . 2]" 1
226 1 25 PHE H 1 25 PHE HB2 0.000 . 2.700 2.656 2.460 2.710 0.010 13 0 "[ . 1 . 2]" 1
227 1 25 PHE HB2 1 26 GLU H 0.000 . 5.000 3.914 3.518 4.071 . 0 0 "[ . 1 . 2]" 1
228 1 25 PHE H 1 26 GLU HA 0.000 . 5.000 5.003 4.939 5.050 0.050 20 0 "[ . 1 . 2]" 1
229 1 26 GLU HA 1 27 GLY H 0.000 . 3.500 3.239 3.007 3.552 0.052 11 0 "[ . 1 . 2]" 1
230 1 26 GLU H 1 26 GLU HB2 0.000 . 3.500 2.279 2.106 2.428 . 0 0 "[ . 1 . 2]" 1
231 1 26 GLU HB2 1 27 GLY H 0.000 . 5.000 3.605 2.289 4.052 . 0 0 "[ . 1 . 2]" 1
232 1 26 GLU HB2 1 28 GLY H 0.000 . 5.000 4.767 3.641 5.044 0.044 5 0 "[ . 1 . 2]" 1
233 1 26 GLU HA 1 26 GLU HB3 0.000 . 2.700 2.607 2.474 2.762 0.062 20 0 "[ . 1 . 2]" 1
234 1 26 GLU H 1 26 GLU HB3 0.000 . 3.500 3.532 3.352 3.574 0.074 8 0 "[ . 1 . 2]" 1
235 1 26 GLU HB3 1 27 GLY H 0.000 . 5.000 4.076 2.920 4.338 . 0 0 "[ . 1 . 2]" 1
236 1 25 PHE QD 1 26 GLU HG3 0.000 . 3.500 3.454 3.134 3.511 0.011 14 0 "[ . 1 . 2]" 1
237 1 26 GLU HA 1 26 GLU HG3 0.000 . 3.500 3.316 3.037 3.501 0.001 5 0 "[ . 1 . 2]" 1
238 1 25 PHE QD 1 26 GLU HG2 0.000 . 3.500 3.115 2.691 3.508 0.008 20 0 "[ . 1 . 2]" 1
239 1 26 GLU HA 1 26 GLU HG2 0.000 . 3.500 2.233 2.081 2.505 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU H 1 26 GLU HG2 0.000 . 3.500 3.583 3.414 4.006 0.506 20 1 "[ . 1 . +]" 1
241 1 23 CYS HA 1 26 GLU H 0.000 . 3.500 3.402 3.204 3.538 0.038 15 0 "[ . 1 . 2]" 1
242 1 24 GLU H 1 26 GLU H 0.000 . 5.000 4.381 4.118 4.664 . 0 0 "[ . 1 . 2]" 1
243 1 25 PHE H 1 26 GLU H 0.000 . 3.500 2.311 2.229 2.382 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLU H 1 28 GLY H 0.000 . 5.000 4.059 3.188 4.597 . 0 0 "[ . 1 . 2]" 1
245 1 27 GLY H 1 27 GLY HA3 0.000 . 3.000 2.377 2.300 2.767 . 0 0 "[ . 1 . 2]" 1
246 1 27 GLY H 1 27 GLY HA2 0.000 . 3.000 2.908 2.829 2.947 . 0 0 "[ . 1 . 2]" 1
247 1 27 GLY HA2 1 28 GLY H 0.000 . 3.500 3.530 3.419 3.565 0.065 16 0 "[ . 1 . 2]" 1
248 1 26 GLU H 1 27 GLY H 0.000 . 2.700 2.472 2.204 2.712 0.012 8 0 "[ . 1 . 2]" 1
249 1 28 GLY HA3 1 29 HIS H 0.000 . 2.700 2.693 2.534 2.756 0.056 20 0 "[ . 1 . 2]" 1
250 1 28 GLY H 1 28 GLY HA2 0.000 . 3.000 2.788 2.527 2.897 . 0 0 "[ . 1 . 2]" 1
251 1 28 GLY HA2 1 29 HIS H 0.000 . 2.700 2.447 2.374 2.596 . 0 0 "[ . 1 . 2]" 1
252 1 27 GLY H 1 28 GLY H 0.000 . 5.000 2.601 2.088 2.944 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLU H 1 29 HIS HA 0.000 . 5.000 3.471 3.205 3.758 . 0 0 "[ . 1 . 2]" 1
254 1 29 HIS HA 1 30 LEU H 0.000 . 2.700 2.486 2.419 2.577 . 0 0 "[ . 1 . 2]" 1
255 1 29 HIS H 1 29 HIS HB3 0.000 . 3.500 3.701 3.509 3.914 0.414 9 0 "[ . 1 . 2]" 1
256 1 29 HIS HB3 1 30 LEU H 0.000 . 3.500 3.195 2.429 3.523 0.023 3 0 "[ . 1 . 2]" 1
257 1 29 HIS HA 1 29 HIS HB2 0.000 . 2.700 2.722 2.549 3.017 0.317 9 0 "[ . 1 . 2]" 1
258 1 29 HIS HB2 1 30 LEU H 0.000 . 3.500 2.462 2.147 3.339 . 0 0 "[ . 1 . 2]" 1
259 1 29 HIS H 1 29 HIS HD2 0.000 . 5.000 3.820 1.880 4.940 . 0 0 "[ . 1 . 2]" 1
260 1 29 HIS HB3 1 29 HIS HE1 0.000 . 5.000 4.970 4.717 5.342 0.342 12 0 "[ . 1 . 2]" 1
261 1 28 GLY H 1 29 HIS H 0.000 . 5.000 4.355 4.291 4.383 . 0 0 "[ . 1 . 2]" 1
262 1 29 HIS H 1 93 TYR HB2 0.000 . 5.000 4.844 4.642 5.034 0.034 16 0 "[ . 1 . 2]" 1
263 1 3 TYR HA 1 3 TYR QD 0.000 . 3.500 3.511 3.474 3.541 0.041 15 0 "[ . 1 . 2]" 1
264 1 3 TYR HA 1 4 HIS H 0.000 . 2.700 2.378 2.232 2.461 . 0 0 "[ . 1 . 2]" 1
265 1 3 TYR HA 1 44 PHE QE 0.000 . 3.500 3.390 3.206 3.512 0.012 4 0 "[ . 1 . 2]" 1
266 1 3 TYR HB3 1 3 TYR QD 0.000 . 2.700 2.713 2.688 2.732 0.032 16 0 "[ . 1 . 2]" 1
267 1 3 TYR HB3 1 4 HIS H 0.000 . 3.500 3.574 3.525 3.650 0.150 12 0 "[ . 1 . 2]" 1
268 1 3 TYR HB2 1 3 TYR QD 0.000 . 2.700 2.276 2.270 2.285 . 0 0 "[ . 1 . 2]" 1
269 1 3 TYR HB2 1 4 HIS H 0.000 . 3.500 2.421 2.262 2.742 . 0 0 "[ . 1 . 2]" 1
270 1 2 VAL H 1 3 TYR QD 0.000 . 5.000 4.492 4.244 4.684 . 0 0 "[ . 1 . 2]" 1
271 1 3 TYR H 1 3 TYR QD 0.000 . 3.500 1.695 1.584 1.887 . 0 0 "[ . 1 . 2]" 1
272 1 3 TYR QD 1 4 HIS H 0.000 . 5.000 4.111 3.879 4.443 . 0 0 "[ . 1 . 2]" 1
273 1 3 TYR QE 1 5 ARG HD3 0.000 . 5.000 4.689 3.452 5.005 0.005 12 0 "[ . 1 . 2]" 1
274 1 3 TYR QE 1 5 ARG HD2 0.000 . 5.000 4.936 4.548 5.014 0.014 11 0 "[ . 1 . 2]" 1
275 1 3 TYR QE 1 5 ARG HE 0.000 . 5.000 2.983 2.422 3.816 . 0 0 "[ . 1 . 2]" 1
276 1 3 TYR QE 1 94 ASN H 0.000 . 5.000 2.786 2.241 3.270 . 0 0 "[ . 1 . 2]" 1
277 1 2 VAL H 1 3 TYR H 0.000 . 5.000 4.529 4.494 4.578 . 0 0 "[ . 1 . 2]" 1
278 1 3 TYR H 1 4 HIS H 0.000 . 5.000 4.450 4.400 4.477 . 0 0 "[ . 1 . 2]" 1
279 1 30 LEU HA 1 31 ALA H 0.000 . 2.700 2.153 2.144 2.166 . 0 0 "[ . 1 . 2]" 1
280 1 30 LEU HA 1 92 CYS HA 0.000 . 3.500 3.072 2.448 3.488 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU H 1 30 LEU HB3 0.000 . 3.500 3.549 3.530 3.572 0.072 6 0 "[ . 1 . 2]" 1
282 1 30 LEU HB3 1 31 ALA H 0.000 . 5.000 3.596 3.344 3.769 . 0 0 "[ . 1 . 2]" 1
283 1 30 LEU H 1 30 LEU HB2 0.000 . 2.700 2.343 2.267 2.506 . 0 0 "[ . 1 . 2]" 1
284 1 30 LEU HB2 1 31 ALA H 0.000 . 5.000 4.416 4.263 4.510 . 0 0 "[ . 1 . 2]" 1
285 1 30 LEU HB2 1 53 ALA H 0.000 . 5.000 4.477 4.035 4.998 . 0 0 "[ . 1 . 2]" 1
286 1 19 ALA MB 1 30 LEU QD 0.000 . 5.000 1.850 1.564 2.068 . 0 0 "[ . 1 . 2]" 1
287 1 21 ALA H 1 30 LEU QD 0.000 . 5.000 4.401 4.226 4.546 . 0 0 "[ . 1 . 2]" 1
288 1 30 LEU H 1 30 LEU QD 0.000 . 5.000 3.169 2.903 3.297 . 0 0 "[ . 1 . 2]" 1
289 1 30 LEU QD 1 51 TRP HB2 0.000 . 3.500 2.480 2.188 2.705 . 0 0 "[ . 1 . 2]" 1
290 1 30 LEU QD 1 51 TRP HB3 0.000 . 5.000 2.375 2.106 2.529 . 0 0 "[ . 1 . 2]" 1
291 1 30 LEU QD 1 53 ALA H 0.000 . 5.000 4.242 4.013 4.576 . 0 0 "[ . 1 . 2]" 1
292 1 16 TYR QD 1 30 LEU MD1 0.000 . 3.000 3.025 2.967 3.050 0.050 11 0 "[ . 1 . 2]" 1
293 1 16 TYR QE 1 30 LEU MD1 0.000 . 2.700 2.696 2.645 2.717 0.017 13 0 "[ . 1 . 2]" 1
294 1 20 LYS HA 1 30 LEU MD1 0.000 . 5.000 2.766 2.544 2.974 . 0 0 "[ . 1 . 2]" 1
295 1 20 LYS H 1 30 LEU MD1 0.000 . 2.700 2.711 2.689 2.721 0.021 3 0 "[ . 1 . 2]" 1
296 1 30 LEU HA 1 30 LEU MD2 0.000 . 2.700 1.781 1.626 1.998 . 0 0 "[ . 1 . 2]" 1
297 1 30 LEU MD2 1 31 ALA H 0.000 . 3.500 3.309 3.081 3.507 0.007 20 0 "[ . 1 . 2]" 1
298 1 30 LEU MD2 1 51 TRP H 0.000 . 5.000 3.859 3.542 4.185 . 0 0 "[ . 1 . 2]" 1
299 1 30 LEU MD2 1 52 MET HA 0.000 . 5.000 3.190 2.608 3.751 . 0 0 "[ . 1 . 2]" 1
300 1 30 LEU MD2 1 52 MET H 0.000 . 5.000 4.366 3.681 4.978 . 0 0 "[ . 1 . 2]" 1
301 1 30 LEU MD2 1 91 TYR H 0.000 . 5.000 3.349 3.077 3.662 . 0 0 "[ . 1 . 2]" 1
302 1 30 LEU HA 1 30 LEU HG 0.000 . 3.500 3.079 2.838 3.282 . 0 0 "[ . 1 . 2]" 1
303 1 30 LEU H 1 30 LEU HG 0.000 . 2.700 2.546 2.267 2.705 0.005 19 0 "[ . 1 . 2]" 1
304 1 31 ALA HA 1 32 THR H 0.000 . 2.700 2.738 2.728 2.748 0.048 12 0 "[ . 1 . 2]" 1
305 1 31 ALA HA 1 93 TYR QD 0.000 . 5.000 3.623 3.116 4.145 . 0 0 "[ . 1 . 2]" 1
306 1 31 ALA HA 1 93 TYR H 0.000 . 5.000 5.017 4.975 5.039 0.039 16 0 "[ . 1 . 2]" 1
307 1 2 VAL MG2 1 31 ALA MB 0.000 . 3.500 2.047 1.906 2.167 . 0 0 "[ . 1 . 2]" 1
308 1 31 ALA H 1 31 ALA MB 0.000 . 2.700 2.126 2.096 2.151 . 0 0 "[ . 1 . 2]" 1
309 1 31 ALA MB 1 32 THR HA 0.000 . 5.000 3.851 3.828 3.883 . 0 0 "[ . 1 . 2]" 1
310 1 31 ALA MB 1 32 THR HB 0.000 . 5.000 5.078 5.065 5.095 0.095 11 0 "[ . 1 . 2]" 1
311 1 31 ALA MB 1 32 THR H 0.000 . 3.500 1.697 1.657 1.725 . 0 0 "[ . 1 . 2]" 1
312 1 31 ALA MB 1 93 TYR QD 0.000 . 3.500 2.200 1.951 2.604 . 0 0 "[ . 1 . 2]" 1
313 1 30 LEU H 1 31 ALA H 0.000 . 5.000 4.430 4.347 4.533 . 0 0 "[ . 1 . 2]" 1
314 1 32 THR HA 1 33 TYR H 0.000 . 2.700 2.436 2.350 2.687 . 0 0 "[ . 1 . 2]" 1
315 1 32 THR HA 1 53 ALA MB 0.000 . 5.000 3.310 2.978 3.644 . 0 0 "[ . 1 . 2]" 1
316 1 32 THR HA 1 53 ALA H 0.000 . 3.500 2.917 2.518 3.310 . 0 0 "[ . 1 . 2]" 1
317 1 32 THR H 1 32 THR HG1 0.000 . 5.000 3.868 2.893 4.331 . 0 0 "[ . 1 . 2]" 1
318 1 32 THR HG1 1 33 TYR H 0.000 . 5.000 3.440 2.534 4.149 . 0 0 "[ . 1 . 2]" 1
319 1 32 THR HG1 1 34 LYS H 0.000 . 5.000 2.771 1.953 3.605 . 0 0 "[ . 1 . 2]" 1
320 1 32 THR HG1 1 35 GLN H 0.000 . 3.500 2.478 1.642 2.853 . 0 0 "[ . 1 . 2]" 1
321 1 32 THR HA 1 32 THR MG 0.000 . 3.500 2.752 2.634 2.798 . 0 0 "[ . 1 . 2]" 1
322 1 32 THR H 1 32 THR MG 0.000 . 2.700 2.268 2.082 2.555 . 0 0 "[ . 1 . 2]" 1
323 1 32 THR MG 1 33 TYR H 0.000 . 5.000 4.027 3.756 4.127 . 0 0 "[ . 1 . 2]" 1
324 1 32 THR MG 1 34 LYS H 0.000 . 5.000 4.555 4.453 4.854 . 0 0 "[ . 1 . 2]" 1
325 1 32 THR MG 1 35 GLN H 0.000 . 5.000 3.584 3.414 3.780 . 0 0 "[ . 1 . 2]" 1
326 1 32 THR MG 1 53 ALA H 0.000 . 5.000 3.994 3.559 4.201 . 0 0 "[ . 1 . 2]" 1
327 1 31 ALA H 1 32 THR H 0.000 . 5.000 4.458 4.437 4.480 . 0 0 "[ . 1 . 2]" 1
328 1 33 TYR HA 1 33 TYR QD 0.000 . 3.500 2.803 2.692 2.937 . 0 0 "[ . 1 . 2]" 1
329 1 33 TYR HA 1 34 LYS H 0.000 . 5.000 3.551 3.493 3.559 . 0 0 "[ . 1 . 2]" 1
330 1 33 TYR HA 1 36 LEU H 0.000 . 4.000 3.414 3.341 3.656 . 0 0 "[ . 1 . 2]" 1
331 1 33 TYR HA 1 52 MET ME 0.000 . 5.000 2.739 1.917 3.273 . 0 0 "[ . 1 . 2]" 1
332 1 33 TYR HB2 1 33 TYR QD 0.000 . 2.700 2.462 2.405 2.503 . 0 0 "[ . 1 . 2]" 1
333 1 33 TYR H 1 33 TYR HB2 0.000 . 2.700 2.282 2.142 2.340 . 0 0 "[ . 1 . 2]" 1
334 1 33 TYR HB2 1 34 LYS H 0.000 . 3.500 3.509 2.979 3.550 0.050 3 0 "[ . 1 . 2]" 1
335 1 33 TYR HB3 1 33 TYR QD 0.000 . 2.700 2.344 2.317 2.390 . 0 0 "[ . 1 . 2]" 1
336 1 33 TYR H 1 33 TYR HB3 0.000 . 3.500 2.788 2.722 2.861 . 0 0 "[ . 1 . 2]" 1
337 1 33 TYR HB3 1 34 LYS H 0.000 . 2.700 2.248 1.738 2.353 . 0 0 "[ . 1 . 2]" 1
338 1 33 TYR H 1 33 TYR QD 0.000 . 5.000 4.064 3.915 4.128 . 0 0 "[ . 1 . 2]" 1
339 1 33 TYR QD 1 34 LYS H 0.000 . 5.000 3.588 3.352 3.740 . 0 0 "[ . 1 . 2]" 1
340 1 33 TYR QD 1 52 MET ME 0.000 . 2.700 1.923 1.655 2.251 . 0 0 "[ . 1 . 2]" 1
341 1 33 TYR QD 1 34 LYS HA 0.000 . 3.500 3.471 3.197 3.523 0.023 15 0 "[ . 1 . 2]" 1
342 1 34 LYS HA 1 37 GLU H 0.000 . 3.500 3.366 3.316 3.431 . 0 0 "[ . 1 . 2]" 1
343 1 34 LYS QB 1 35 GLN H 0.000 . 3.500 2.538 2.398 2.591 . 0 0 "[ . 1 . 2]" 1
344 1 34 LYS H 1 34 LYS HB3 0.000 . 3.500 3.245 2.711 3.502 0.002 20 0 "[ . 1 . 2]" 1
345 1 34 LYS H 1 34 LYS HB2 0.000 . 2.700 2.125 2.061 2.345 . 0 0 "[ . 1 . 2]" 1
346 1 34 LYS HA 1 34 LYS HG2 0.000 . 3.500 2.557 2.063 3.301 . 0 0 "[ . 1 . 2]" 1
347 1 34 LYS H 1 34 LYS HG2 0.000 . 5.000 4.227 3.527 4.612 . 0 0 "[ . 1 . 2]" 1
348 1 33 TYR QD 1 34 LYS HG3 0.000 . 5.000 4.476 3.754 5.046 0.046 7 0 "[ . 1 . 2]" 1
349 1 33 TYR H 1 34 LYS H 0.000 . 3.500 2.861 2.786 2.927 . 0 0 "[ . 1 . 2]" 1
350 1 34 LYS H 1 35 GLN H 0.000 . 3.500 2.832 2.749 2.973 . 0 0 "[ . 1 . 2]" 1
351 1 34 LYS H 1 36 LEU H 0.000 . 4.000 4.047 4.030 4.102 0.102 15 0 "[ . 1 . 2]" 1
352 1 32 THR H 1 35 GLN HA 0.000 . 5.000 4.998 4.932 5.029 0.029 11 0 "[ . 1 . 2]" 1
353 1 35 GLN HA 1 38 ALA H 0.000 . 3.500 3.525 3.506 3.551 0.051 20 0 "[ . 1 . 2]" 1
354 1 32 THR H 1 35 GLN HB3 0.000 . 3.500 3.491 3.409 3.513 0.013 6 0 "[ . 1 . 2]" 1
355 1 35 GLN H 1 35 GLN HB3 0.000 . 3.500 3.567 3.552 3.573 0.073 4 0 "[ . 1 . 2]" 1
356 1 35 GLN HB3 1 36 LEU H 0.000 . 5.000 3.839 3.756 3.966 . 0 0 "[ . 1 . 2]" 1
357 1 32 THR H 1 35 GLN HB2 0.000 . 2.700 2.073 2.029 2.143 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLN H 1 35 GLN HB2 0.000 . 2.700 2.582 2.502 2.727 0.027 15 0 "[ . 1 . 2]" 1
359 1 35 GLN HB2 1 36 LEU H 0.000 . 3.500 2.738 2.674 2.783 . 0 0 "[ . 1 . 2]" 1
360 1 35 GLN H 1 35 GLN HE21 0.000 . 5.000 4.939 4.715 5.007 0.007 8 0 "[ . 1 . 2]" 1
361 1 32 THR H 1 35 GLN HE22 0.000 . 5.000 4.687 4.631 4.729 . 0 0 "[ . 1 . 2]" 1
362 1 35 GLN HA 1 35 GLN QG 0.000 . 2.700 2.467 2.413 2.569 . 0 0 "[ . 1 . 2]" 1
363 1 32 THR H 1 35 GLN HG2 0.000 . 5.000 4.237 3.918 4.425 . 0 0 "[ . 1 . 2]" 1
364 1 35 GLN H 1 35 GLN HG2 0.000 . 3.500 3.076 2.703 3.309 . 0 0 "[ . 1 . 2]" 1
365 1 35 GLN HG2 1 36 LEU H 0.000 . 5.000 4.890 4.672 5.010 0.010 11 0 "[ . 1 . 2]" 1
366 1 32 THR HG1 1 35 GLN HG3 0.000 . 5.000 2.401 1.453 3.383 . 0 0 "[ . 1 . 2]" 1
367 1 35 GLN H 1 35 GLN HG3 0.000 . 2.700 2.072 1.938 2.143 . 0 0 "[ . 1 . 2]" 1
368 1 32 THR H 1 35 GLN H 0.000 . 5.000 3.672 3.584 3.814 . 0 0 "[ . 1 . 2]" 1
369 1 33 TYR H 1 35 GLN H 0.000 . 5.000 4.242 3.919 4.326 . 0 0 "[ . 1 . 2]" 1
370 1 34 LYS HA 1 35 GLN H 0.000 . 5.000 3.553 3.548 3.557 . 0 0 "[ . 1 . 2]" 1
371 1 34 LYS HB2 1 35 GLN H 0.000 . 3.500 3.108 2.718 3.702 0.202 3 0 "[ . 1 . 2]" 1
372 1 2 VAL MG1 1 36 LEU HA 0.000 . 5.000 2.953 2.676 3.280 . 0 0 "[ . 1 . 2]" 1
373 1 2 VAL MG2 1 36 LEU HA 0.000 . 5.000 3.439 3.131 3.639 . 0 0 "[ . 1 . 2]" 1
374 1 36 LEU HA 1 39 ALA H 0.000 . 3.500 3.479 3.400 3.557 0.057 11 0 "[ . 1 . 2]" 1
375 1 36 LEU HA 1 40 ARG H 0.000 . 5.000 4.427 4.112 4.565 . 0 0 "[ . 1 . 2]" 1
376 1 36 LEU HA 1 44 PHE QE 0.000 . 5.000 4.526 4.029 4.739 . 0 0 "[ . 1 . 2]" 1
377 1 36 LEU HB3 1 36 LEU MD2 0.000 . 3.500 3.172 3.154 3.180 . 0 0 "[ . 1 . 2]" 1
378 1 36 LEU H 1 36 LEU HB3 0.000 . 3.500 3.274 3.158 3.383 . 0 0 "[ . 1 . 2]" 1
379 1 36 LEU HB3 1 37 GLU H 0.000 . 5.000 3.146 2.963 3.315 . 0 0 "[ . 1 . 2]" 1
380 1 33 TYR HA 1 36 LEU HB2 0.000 . 5.000 2.481 2.380 2.829 . 0 0 "[ . 1 . 2]" 1
381 1 35 GLN H 1 36 LEU HB2 0.000 . 5.000 4.475 4.430 4.559 . 0 0 "[ . 1 . 2]" 1
382 1 36 LEU H 1 36 LEU HB2 0.000 . 2.700 2.071 2.063 2.092 . 0 0 "[ . 1 . 2]" 1
383 1 36 LEU HA 1 36 LEU MD2 0.000 . 2.700 2.298 1.822 2.547 . 0 0 "[ . 1 . 2]" 1
384 1 36 LEU H 1 36 LEU MD2 0.000 . 5.000 2.750 2.397 3.119 . 0 0 "[ . 1 . 2]" 1
385 1 36 LEU MD2 1 37 GLU H 0.000 . 5.000 4.471 4.367 4.580 . 0 0 "[ . 1 . 2]" 1
386 1 36 LEU MD2 1 44 PHE QE 0.000 . 3.500 3.258 2.456 3.509 0.009 4 0 "[ . 1 . 2]" 1
387 1 36 LEU MD2 1 91 TYR QD 0.000 . 3.500 2.620 2.403 2.994 . 0 0 "[ . 1 . 2]" 1
388 1 36 LEU H 1 36 LEU MD1 0.000 . 5.000 4.174 4.029 4.408 . 0 0 "[ . 1 . 2]" 1
389 1 36 LEU MD1 1 39 ALA H 0.000 . 5.000 4.501 4.309 4.803 . 0 0 "[ . 1 . 2]" 1
390 1 36 LEU MD1 1 44 PHE QD 0.000 . 2.700 2.689 2.467 3.039 0.339 10 0 "[ . 1 . 2]" 1
391 1 36 LEU MD1 1 44 PHE QE 0.000 . 2.700 2.888 2.523 3.509 0.809 10 5 "[* * + -. * 2]" 1
392 1 36 LEU MD1 1 91 TYR QD 0.000 . 3.500 3.211 2.754 3.512 0.012 5 0 "[ . 1 . 2]" 1
393 1 36 LEU MD1 1 91 TYR QE 0.000 . 3.500 2.914 2.723 3.317 . 0 0 "[ . 1 . 2]" 1
394 1 35 GLN HA 1 36 LEU H 0.000 . 5.000 3.510 3.503 3.518 . 0 0 "[ . 1 . 2]" 1
395 1 35 GLN H 1 36 LEU H 0.000 . 3.500 2.653 2.621 2.719 . 0 0 "[ . 1 . 2]" 1
396 1 36 LEU H 1 37 GLU H 0.000 . 3.500 2.556 2.491 2.636 . 0 0 "[ . 1 . 2]" 1
397 1 37 GLU HA 1 38 ALA H 0.000 . 5.000 3.545 3.530 3.548 . 0 0 "[ . 1 . 2]" 1
398 1 37 GLU HA 1 40 ARG H 0.000 . 3.500 3.194 3.052 3.339 . 0 0 "[ . 1 . 2]" 1
399 1 37 GLU H 1 37 GLU HB3 0.000 . 2.700 2.538 2.483 2.594 . 0 0 "[ . 1 . 2]" 1
400 1 37 GLU HB3 1 38 ALA H 0.000 . 3.500 2.157 2.133 2.247 . 0 0 "[ . 1 . 2]" 1
401 1 37 GLU H 1 37 GLU HB2 0.000 . 2.700 2.500 2.448 2.549 . 0 0 "[ . 1 . 2]" 1
402 1 37 GLU HB2 1 38 ALA H 0.000 . 3.500 3.593 3.575 3.617 0.117 11 0 "[ . 1 . 2]" 1
403 1 37 GLU HB2 1 75 ILE MD 0.000 . 5.000 3.527 2.465 3.815 . 0 0 "[ . 1 . 2]" 1
404 1 37 GLU H 1 37 GLU QG 0.000 . 5.000 3.970 3.952 4.015 . 0 0 "[ . 1 . 2]" 1
405 1 37 GLU QG 1 38 ALA H 0.000 . 5.000 3.382 3.178 3.568 . 0 0 "[ . 1 . 2]" 1
406 1 37 GLU QG 1 39 ALA H 0.000 . 5.000 4.832 4.816 4.848 . 0 0 "[ . 1 . 2]" 1
407 1 38 ALA H 1 38 ALA HA 0.000 . 3.000 2.767 2.757 2.785 . 0 0 "[ . 1 . 2]" 1
408 1 38 ALA HA 1 39 ALA H 0.000 . 5.000 3.474 3.461 3.487 . 0 0 "[ . 1 . 2]" 1
409 1 38 ALA HA 1 40 ARG H 0.000 . 5.000 4.130 4.030 4.459 . 0 0 "[ . 1 . 2]" 1
410 1 35 GLN HA 1 38 ALA MB 0.000 . 3.500 3.002 2.609 3.189 . 0 0 "[ . 1 . 2]" 1
411 1 37 GLU H 1 38 ALA MB 0.000 . 5.000 4.335 4.256 4.362 . 0 0 "[ . 1 . 2]" 1
412 1 38 ALA H 1 38 ALA MB 0.000 . 2.700 2.225 2.218 2.234 . 0 0 "[ . 1 . 2]" 1
413 1 38 ALA MB 1 39 ALA H 0.000 . 2.700 2.725 2.707 2.756 0.056 11 0 "[ . 1 . 2]" 1
414 1 37 GLU H 1 38 ALA H 0.000 . 3.500 2.756 2.661 2.787 . 0 0 "[ . 1 . 2]" 1
415 1 38 ALA H 1 39 ALA MB 0.000 . 5.000 4.392 4.347 4.438 . 0 0 "[ . 1 . 2]" 1
416 1 38 ALA H 1 40 ARG H 0.000 . 4.000 4.063 4.043 4.087 0.087 19 0 "[ . 1 . 2]" 1
417 1 39 ALA HA 1 42 ILE MD 0.000 . 5.000 4.150 3.609 4.440 . 0 0 "[ . 1 . 2]" 1
418 1 39 ALA HA 1 42 ILE HG13 0.000 . 5.000 3.813 3.358 4.149 . 0 0 "[ . 1 . 2]" 1
419 1 39 ALA HA 1 42 ILE HG12 0.000 . 5.000 2.838 2.528 3.081 . 0 0 "[ . 1 . 2]" 1
420 1 39 ALA HA 1 42 ILE H 0.000 . 5.000 3.753 3.417 3.912 . 0 0 "[ . 1 . 2]" 1
421 1 36 LEU HA 1 39 ALA MB 0.000 . 3.500 2.518 2.365 2.762 . 0 0 "[ . 1 . 2]" 1
422 1 39 ALA H 1 39 ALA MB 0.000 . 2.700 2.254 2.210 2.305 . 0 0 "[ . 1 . 2]" 1
423 1 39 ALA MB 1 40 ARG H 0.000 . 2.700 2.727 2.677 2.749 0.049 6 0 "[ . 1 . 2]" 1
424 1 39 ALA MB 1 44 PHE QD 0.000 . 2.700 1.860 1.616 2.074 . 0 0 "[ . 1 . 2]" 1
425 1 39 ALA MB 1 44 PHE QE 0.000 . 3.500 3.414 3.264 3.518 0.018 1 0 "[ . 1 . 2]" 1
426 1 39 ALA MB 1 44 PHE H 0.000 . 5.000 4.230 4.117 4.363 . 0 0 "[ . 1 . 2]" 1
427 1 37 GLU H 1 39 ALA H 0.000 . 5.000 3.782 3.729 3.830 . 0 0 "[ . 1 . 2]" 1
428 1 38 ALA H 1 39 ALA H 0.000 . 2.700 2.699 2.669 2.712 0.012 8 0 "[ . 1 . 2]" 1
429 1 39 ALA H 1 40 ARG H 0.000 . 3.500 2.414 2.266 2.514 . 0 0 "[ . 1 . 2]" 1
430 1 39 ALA H 1 41 LYS H 0.000 . 4.000 3.970 3.839 4.020 0.020 6 0 "[ . 1 . 2]" 1
431 1 4 HIS HA 1 4 HIS HD2 0.000 . 5.000 4.005 3.018 4.317 . 0 0 "[ . 1 . 2]" 1
432 1 4 HIS HA 1 5 ARG H 0.000 . 2.700 2.194 2.144 2.243 . 0 0 "[ . 1 . 2]" 1
433 1 4 HIS HA 1 91 TYR HA 0.000 . 3.500 2.171 1.865 2.336 . 0 0 "[ . 1 . 2]" 1
434 1 4 HIS HA 1 91 TYR QD 0.000 . 5.000 2.622 2.157 2.822 . 0 0 "[ . 1 . 2]" 1
435 1 4 HIS HA 1 92 CYS H 0.000 . 3.500 3.180 2.829 3.419 . 0 0 "[ . 1 . 2]" 1
436 1 4 HIS H 1 4 HIS HB3 0.000 . 2.700 2.358 2.265 2.623 . 0 0 "[ . 1 . 2]" 1
437 1 4 HIS HB3 1 44 PHE QE 0.000 . 3.500 2.939 2.419 3.454 . 0 0 "[ . 1 . 2]" 1
438 1 4 HIS HB3 1 5 ARG H 0.000 . 5.000 4.296 4.007 4.430 . 0 0 "[ . 1 . 2]" 1
439 1 4 HIS HB3 1 91 TYR QD 0.000 . 3.500 3.432 3.292 3.617 0.117 20 0 "[ . 1 . 2]" 1
440 1 4 HIS HB3 1 91 TYR QE 0.000 . 2.700 2.835 2.704 3.290 0.590 12 1 "[ . 1 + . 2]" 1
441 1 4 HIS H 1 4 HIS HB2 0.000 . 3.500 3.350 2.779 3.576 0.076 8 0 "[ . 1 . 2]" 1
442 1 4 HIS HB2 1 5 ARG H 0.000 . 5.000 3.619 3.232 4.479 . 0 0 "[ . 1 . 2]" 1
443 1 4 HIS HB2 1 91 TYR QD 0.000 . 3.500 2.709 1.906 3.244 . 0 0 "[ . 1 . 2]" 1
444 1 4 HIS HB2 1 91 TYR QE 0.000 . 3.500 2.339 1.731 2.833 . 0 0 "[ . 1 . 2]" 1
445 1 4 HIS HD2 1 5 ARG H 0.000 . 5.000 3.586 2.932 4.526 . 0 0 "[ . 1 . 2]" 1
446 1 4 HIS HD2 1 90 ALA H 0.000 . 5.000 4.055 3.111 4.599 . 0 0 "[ . 1 . 2]" 1
447 1 4 HIS HD2 1 91 TYR QE 0.000 . 5.000 4.767 3.080 5.014 0.014 11 0 "[ . 1 . 2]" 1
448 1 40 ARG HA 1 41 LYS H 0.000 . 5.000 3.506 3.490 3.518 . 0 0 "[ . 1 . 2]" 1
449 1 37 GLU HA 1 40 ARG HB3 0.000 . 3.500 2.887 2.297 3.110 . 0 0 "[ . 1 . 2]" 1
450 1 40 ARG H 1 40 ARG HB3 0.000 . 2.700 2.582 2.378 2.685 . 0 0 "[ . 1 . 2]" 1
451 1 40 ARG HB3 1 41 LYS H 0.000 . 2.700 2.710 2.697 2.720 0.020 5 0 "[ . 1 . 2]" 1
452 1 37 GLU HA 1 40 ARG HB2 0.000 . 3.500 3.115 2.796 3.511 0.011 11 0 "[ . 1 . 2]" 1
453 1 40 ARG H 1 40 ARG HB2 0.000 . 2.700 2.513 2.401 2.720 0.020 11 0 "[ . 1 . 2]" 1
454 1 40 ARG HB2 1 44 PHE H 0.000 . 5.000 4.553 4.267 5.027 0.027 11 0 "[ . 1 . 2]" 1
455 1 40 ARG HG2 1 44 PHE H 0.000 . 5.000 4.158 3.461 4.832 . 0 0 "[ . 1 . 2]" 1
456 1 39 ALA HA 1 40 ARG H 0.000 . 3.500 3.479 3.467 3.496 . 0 0 "[ . 1 . 2]" 1
457 1 41 LYS HA 1 41 LYS HG3 0.000 . 3.500 3.390 3.053 3.564 0.064 17 0 "[ . 1 . 2]" 1
458 1 41 LYS H 1 41 LYS HA 0.000 . 2.700 2.761 2.740 2.812 0.112 13 0 "[ . 1 . 2]" 1
459 1 41 LYS HA 1 42 ILE H 0.000 . 5.000 3.484 3.438 3.516 . 0 0 "[ . 1 . 2]" 1
460 1 41 LYS HA 1 43 GLY H 0.000 . 5.000 4.314 3.901 4.574 . 0 0 "[ . 1 . 2]" 1
461 1 41 LYS H 1 41 LYS QB 0.000 . 2.700 2.410 2.227 2.668 . 0 0 "[ . 1 . 2]" 1
462 1 41 LYS QB 1 42 ILE H 0.000 . 3.500 3.029 2.694 3.566 0.066 13 0 "[ . 1 . 2]" 1
463 1 38 ALA HA 1 41 LYS QB 0.000 . 3.500 3.033 2.028 3.355 . 0 0 "[ . 1 . 2]" 1
464 1 41 LYS QE 1 41 LYS HG3 0.000 . 3.500 2.840 2.096 3.349 . 0 0 "[ . 1 . 2]" 1
465 1 41 LYS H 1 41 LYS HG3 0.000 . 3.500 2.681 1.979 3.510 0.010 13 0 "[ . 1 . 2]" 1
466 1 38 ALA HA 1 41 LYS HG2 0.000 . 3.500 3.435 2.500 4.214 0.714 14 3 "[ . -1 +. *]" 1
467 1 41 LYS H 1 41 LYS HG2 0.000 . 2.700 2.895 2.514 3.519 0.819 4 4 "[ +. 1 -. **]" 1
468 1 40 ARG H 1 41 LYS H 0.000 . 3.500 2.469 2.311 2.573 . 0 0 "[ . 1 . 2]" 1
469 1 42 ILE HA 1 42 ILE HB 0.000 . 2.700 2.355 2.315 2.401 . 0 0 "[ . 1 . 2]" 1
470 1 42 ILE HB 1 43 GLY H 0.000 . 5.000 4.087 3.932 4.279 . 0 0 "[ . 1 . 2]" 1
471 1 42 ILE HB 1 42 ILE MD 0.000 . 2.700 2.053 1.996 2.102 . 0 0 "[ . 1 . 2]" 1
472 1 42 ILE MD 1 43 GLY HA3 0.000 . 5.000 4.414 4.159 4.747 . 0 0 "[ . 1 . 2]" 1
473 1 42 ILE MD 1 43 GLY H 0.000 . 3.500 3.428 3.124 3.515 0.015 16 0 "[ . 1 . 2]" 1
474 1 42 ILE MD 1 44 PHE H 0.000 . 5.000 3.712 3.012 4.050 . 0 0 "[ . 1 . 2]" 1
475 1 42 ILE H 1 42 ILE HG13 0.000 . 2.700 2.550 2.359 2.708 0.008 6 0 "[ . 1 . 2]" 1
476 1 42 ILE HG13 1 43 GLY H 0.000 . 5.000 2.029 1.817 2.401 . 0 0 "[ . 1 . 2]" 1
477 1 42 ILE HG13 1 44 PHE H 0.000 . 5.000 2.798 2.099 3.040 . 0 0 "[ . 1 . 2]" 1
478 1 42 ILE H 1 42 ILE HG12 0.000 . 3.500 3.057 2.695 3.364 . 0 0 "[ . 1 . 2]" 1
479 1 42 ILE HG12 1 43 GLY H 0.000 . 5.000 3.603 3.203 4.076 . 0 0 "[ . 1 . 2]" 1
480 1 42 ILE HG12 1 44 PHE H 0.000 . 5.000 4.189 3.478 4.459 . 0 0 "[ . 1 . 2]" 1
481 1 39 ALA HA 1 42 ILE MG 0.000 . 3.500 3.064 2.255 3.485 . 0 0 "[ . 1 . 2]" 1
482 1 40 ARG H 1 42 ILE MG 0.000 . 5.000 4.863 4.432 5.016 0.016 9 0 "[ . 1 . 2]" 1
483 1 41 LYS H 1 42 ILE MG 0.000 . 5.000 3.959 3.511 4.143 . 0 0 "[ . 1 . 2]" 1
484 1 42 ILE HA 1 42 ILE MG 0.000 . 2.700 2.466 2.368 2.604 . 0 0 "[ . 1 . 2]" 1
485 1 42 ILE H 1 42 ILE MG 0.000 . 3.500 2.160 1.853 2.402 . 0 0 "[ . 1 . 2]" 1
486 1 41 LYS H 1 42 ILE H 0.000 . 3.500 2.739 2.567 2.808 . 0 0 "[ . 1 . 2]" 1
487 1 43 GLY H 1 43 GLY HA3 0.000 . 2.700 2.490 2.403 2.706 0.006 11 0 "[ . 1 . 2]" 1
488 1 43 GLY HA3 1 44 PHE H 0.000 . 2.700 2.785 2.724 3.461 0.761 11 1 "[ . 1+ . 2]" 1
489 1 43 GLY HA3 1 62 VAL MG2 0.000 . 5.000 3.348 2.361 4.101 . 0 0 "[ . 1 . 2]" 1
490 1 42 ILE H 1 43 GLY HA2 0.000 . 5.000 4.990 4.879 5.033 0.033 13 0 "[ . 1 . 2]" 1
491 1 43 GLY H 1 43 GLY HA2 0.000 . 3.000 2.949 2.855 2.957 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLY HA2 1 44 PHE H 0.000 . 5.000 3.515 2.928 3.567 . 0 0 "[ . 1 . 2]" 1
493 1 41 LYS H 1 43 GLY H 0.000 . 5.000 4.054 3.957 4.188 . 0 0 "[ . 1 . 2]" 1
494 1 42 ILE HA 1 43 GLY H 0.000 . 3.500 3.468 3.389 3.508 0.008 4 0 "[ . 1 . 2]" 1
495 1 42 ILE H 1 43 GLY H 0.000 . 2.700 2.281 2.138 2.377 . 0 0 "[ . 1 . 2]" 1
496 1 44 PHE HA 1 44 PHE QD 0.000 . 2.700 1.840 1.716 2.001 . 0 0 "[ . 1 . 2]" 1
497 1 44 PHE HA 1 45 HIS H 0.000 . 2.700 2.309 2.229 2.397 . 0 0 "[ . 1 . 2]" 1
498 1 39 ALA MB 1 44 PHE HB3 0.000 . 3.500 2.753 2.456 3.082 . 0 0 "[ . 1 . 2]" 1
499 1 40 ARG HA 1 44 PHE HB3 0.000 . 5.000 2.697 1.700 2.951 . 0 0 "[ . 1 . 2]" 1
500 1 40 ARG H 1 44 PHE HB3 0.000 . 5.000 3.911 3.222 4.323 . 0 0 "[ . 1 . 2]" 1
501 1 43 GLY H 1 44 PHE HB3 0.000 . 5.000 4.431 4.029 4.709 . 0 0 "[ . 1 . 2]" 1
502 1 44 PHE HB3 1 44 PHE QD 0.000 . 2.700 2.451 2.299 2.597 . 0 0 "[ . 1 . 2]" 1
503 1 44 PHE HB3 1 44 PHE QE 0.000 . 5.000 4.421 4.379 4.461 . 0 0 "[ . 1 . 2]" 1
504 1 44 PHE H 1 44 PHE HB3 0.000 . 2.700 2.653 2.484 2.810 0.110 11 0 "[ . 1 . 2]" 1
505 1 39 ALA MB 1 44 PHE HB2 0.000 . 5.000 2.483 2.253 2.788 . 0 0 "[ . 1 . 2]" 1
506 1 40 ARG HA 1 44 PHE HB2 0.000 . 5.000 3.454 2.967 3.988 . 0 0 "[ . 1 . 2]" 1
507 1 40 ARG H 1 44 PHE HB2 0.000 . 5.000 4.438 4.093 5.008 0.008 7 0 "[ . 1 . 2]" 1
508 1 42 ILE H 1 44 PHE HB2 0.000 . 5.000 4.700 4.482 4.880 . 0 0 "[ . 1 . 2]" 1
509 1 43 GLY H 1 44 PHE HB2 0.000 . 5.000 3.917 3.782 4.234 . 0 0 "[ . 1 . 2]" 1
510 1 44 PHE HB2 1 44 PHE QD 0.000 . 2.700 2.713 2.625 2.754 0.054 18 0 "[ . 1 . 2]" 1
511 1 44 PHE H 1 44 PHE HB2 0.000 . 2.700 2.551 2.262 2.734 0.034 7 0 "[ . 1 . 2]" 1
512 1 36 LEU MD2 1 44 PHE QD 0.000 . 5.000 3.825 2.712 4.436 . 0 0 "[ . 1 . 2]" 1
513 1 44 PHE H 1 44 PHE QD 0.000 . 5.000 4.181 4.077 4.238 . 0 0 "[ . 1 . 2]" 1
514 1 3 TYR H 1 44 PHE QE 0.000 . 5.000 4.747 4.353 4.961 . 0 0 "[ . 1 . 2]" 1
515 1 4 HIS H 1 44 PHE QE 0.000 . 3.500 3.398 3.245 3.504 0.004 20 0 "[ . 1 . 2]" 1
516 1 44 PHE QE 1 91 TYR QD 0.000 . 2.700 2.430 2.260 2.721 0.021 11 0 "[ . 1 . 2]" 1
517 1 40 ARG HA 1 44 PHE H 0.000 . 3.500 2.098 1.818 2.667 . 0 0 "[ . 1 . 2]" 1
518 1 40 ARG H 1 44 PHE H 0.000 . 5.000 4.463 4.341 4.841 . 0 0 "[ . 1 . 2]" 1
519 1 41 LYS H 1 44 PHE H 0.000 . 5.000 4.812 4.659 5.073 0.073 11 0 "[ . 1 . 2]" 1
520 1 42 ILE H 1 44 PHE H 0.000 . 5.000 3.812 3.598 3.952 . 0 0 "[ . 1 . 2]" 1
521 1 43 GLY H 1 44 PHE H 0.000 . 2.700 2.077 1.940 2.174 . 0 0 "[ . 1 . 2]" 1
522 1 44 PHE H 1 45 HIS H 0.000 . 5.000 3.962 3.753 4.174 . 0 0 "[ . 1 . 2]" 1
523 1 45 HIS HA 1 46 VAL H 0.000 . 2.700 2.146 2.129 2.182 . 0 0 "[ . 1 . 2]" 1
524 1 45 HIS HB2 1 62 VAL MG2 0.000 . 3.500 2.292 1.854 2.923 . 0 0 "[ . 1 . 2]" 1
525 1 45 HIS H 1 45 HIS HB3 0.000 . 3.500 2.394 2.269 2.574 . 0 0 "[ . 1 . 2]" 1
526 1 45 HIS HD2 1 47 CYS H 0.000 . 5.000 4.588 3.779 4.960 . 0 0 "[ . 1 . 2]" 1
527 1 45 HIS HE1 1 61 ILE MG 0.000 . 5.000 3.993 3.691 4.580 . 0 0 "[ . 1 . 2]" 1
528 1 45 HIS HE1 1 63 LYS H 0.000 . 3.500 3.534 3.522 3.553 0.053 14 0 "[ . 1 . 2]" 1
529 1 43 GLY HA2 1 45 HIS H 0.000 . 5.000 4.752 4.547 5.016 0.016 16 0 "[ . 1 . 2]" 1
530 1 45 HIS HD2 1 46 VAL HA 0.000 . 5.000 4.239 3.670 4.510 . 0 0 "[ . 1 . 2]" 1
531 1 46 VAL HA 1 46 VAL QG 0.000 . 2.700 2.351 2.067 2.607 . 0 0 "[ . 1 . 2]" 1
532 1 46 VAL HA 1 47 CYS H 0.000 . 2.700 2.150 2.139 2.194 . 0 0 "[ . 1 . 2]" 1
533 1 46 VAL HB 1 47 CYS H 0.000 . 5.000 4.074 3.763 4.320 . 0 0 "[ . 1 . 2]" 1
534 1 46 VAL HB 1 91 TYR QE 0.000 . 5.000 3.754 2.627 4.700 . 0 0 "[ . 1 . 2]" 1
535 1 4 HIS HB2 1 46 VAL QG 0.000 . 5.000 2.750 2.434 3.176 . 0 0 "[ . 1 . 2]" 1
536 1 4 HIS H 1 46 VAL QG 0.000 . 5.000 4.380 3.955 4.724 . 0 0 "[ . 1 . 2]" 1
537 1 44 PHE QD 1 46 VAL QG 0.000 . 5.000 2.980 2.466 3.350 . 0 0 "[ . 1 . 2]" 1
538 1 44 PHE QE 1 46 VAL QG 0.000 . 2.700 2.552 2.070 2.691 . 0 0 "[ . 1 . 2]" 1
539 1 45 HIS H 1 46 VAL QG 0.000 . 5.000 3.757 3.233 4.245 . 0 0 "[ . 1 . 2]" 1
540 1 46 VAL QG 1 91 TYR QD 0.000 . 5.000 3.905 3.601 4.177 . 0 0 "[ . 1 . 2]" 1
541 1 46 VAL QG 1 91 TYR QE 0.000 . 2.700 2.149 1.725 2.598 . 0 0 "[ . 1 . 2]" 1
542 1 4 HIS HD2 1 46 VAL QG 0.000 . 3.500 2.895 2.658 3.211 . 0 0 "[ . 1 . 2]" 1
543 1 46 VAL QG 1 47 CYS H 0.000 . 3.500 2.784 2.314 3.035 . 0 0 "[ . 1 . 2]" 1
544 1 46 VAL QG 1 48 ALA MB 0.000 . 3.500 2.154 1.970 2.386 . 0 0 "[ . 1 . 2]" 1
545 1 46 VAL QG 1 48 ALA H 0.000 . 2.700 1.683 1.356 2.231 . 0 0 "[ . 1 . 2]" 1
546 1 47 CYS HA 1 59 TYR QD 0.000 . 2.700 2.680 2.427 2.730 0.030 2 0 "[ . 1 . 2]" 1
547 1 47 CYS HA 1 61 ILE MD 0.000 . 5.000 1.759 1.605 2.008 . 0 0 "[ . 1 . 2]" 1
548 1 47 CYS HA 1 68 CYS HA 0.000 . 5.000 4.883 4.325 5.025 0.025 15 0 "[ . 1 . 2]" 1
549 1 47 CYS H 1 47 CYS QB 0.000 . 3.500 2.784 2.203 2.951 . 0 0 "[ . 1 . 2]" 1
550 1 47 CYS QB 1 59 TYR QD 0.000 . 3.500 3.425 3.395 3.445 . 0 0 "[ . 1 . 2]" 1
551 1 12 TYR QE 1 48 ALA HA 0.000 . 3.500 1.781 1.483 2.258 . 0 0 "[ . 1 . 2]" 1
552 1 48 ALA HA 1 49 ALA H 0.000 . 2.700 2.227 2.133 2.301 . 0 0 "[ . 1 . 2]" 1
553 1 12 TYR QD 1 48 ALA MB 0.000 . 3.500 3.513 3.348 3.557 0.057 14 0 "[ . 1 . 2]" 1
554 1 12 TYR QE 1 48 ALA MB 0.000 . 2.700 2.535 2.221 2.719 0.019 5 0 "[ . 1 . 2]" 1
555 1 4 HIS HD2 1 48 ALA MB 0.000 . 3.500 2.607 2.018 3.339 . 0 0 "[ . 1 . 2]" 1
556 1 48 ALA MB 1 49 ALA H 0.000 . 5.000 3.510 3.167 3.632 . 0 0 "[ . 1 . 2]" 1
557 1 47 CYS HA 1 48 ALA H 0.000 . 3.500 3.122 2.525 3.290 . 0 0 "[ . 1 . 2]" 1
558 1 47 CYS H 1 48 ALA H 0.000 . 3.500 2.790 2.460 3.531 0.031 7 0 "[ . 1 . 2]" 1
559 1 48 ALA H 1 49 ALA HA 0.000 . 5.000 4.918 4.297 5.062 0.062 16 0 "[ . 1 . 2]" 1
560 1 48 ALA H 1 49 ALA H 0.000 . 5.000 4.013 3.449 4.413 . 0 0 "[ . 1 . 2]" 1
561 1 49 ALA HA 1 50 GLY H 0.000 . 2.700 2.171 2.148 2.227 . 0 0 "[ . 1 . 2]" 1
562 1 49 ALA HA 1 59 TYR QD 0.000 . 2.700 2.711 2.632 2.727 0.027 18 0 "[ . 1 . 2]" 1
563 1 49 ALA HA 1 91 TYR QE 0.000 . 5.000 3.226 2.890 3.529 . 0 0 "[ . 1 . 2]" 1
564 1 12 TYR QE 1 49 ALA MB 0.000 . 3.500 3.532 3.508 3.559 0.059 3 0 "[ . 1 . 2]" 1
565 1 49 ALA H 1 49 ALA MB 0.000 . 3.500 2.064 2.024 2.102 . 0 0 "[ . 1 . 2]" 1
566 1 49 ALA MB 1 50 GLY H 0.000 . 5.000 3.110 2.891 3.287 . 0 0 "[ . 1 . 2]" 1
567 1 49 ALA MB 1 57 VAL QG 0.000 . 2.700 2.098 1.544 2.404 . 0 0 "[ . 1 . 2]" 1
568 1 49 ALA MB 1 59 TYR QD 0.000 . 2.700 1.589 1.425 1.829 . 0 0 "[ . 1 . 2]" 1
569 1 49 ALA MB 1 59 TYR QE 0.000 . 5.000 3.017 2.901 3.185 . 0 0 "[ . 1 . 2]" 1
570 1 49 ALA MB 1 88 TRP HE3 0.000 . 2.700 2.543 2.412 2.671 . 0 0 "[ . 1 . 2]" 1
571 1 5 ARG HA 1 6 GLU H 0.000 . 2.700 2.336 2.195 2.578 . 0 0 "[ . 1 . 2]" 1
572 1 5 ARG H 1 5 ARG QB 0.000 . 2.700 2.662 2.269 2.723 0.023 13 0 "[ . 1 . 2]" 1
573 1 5 ARG QB 1 6 GLU H 0.000 . 3.500 2.592 2.061 3.027 . 0 0 "[ . 1 . 2]" 1
574 1 5 ARG QB 1 90 ALA H 0.000 . 5.000 4.237 3.818 4.691 . 0 0 "[ . 1 . 2]" 1
575 1 5 ARG HA 1 5 ARG HD3 0.000 . 3.500 2.619 1.995 3.391 . 0 0 "[ . 1 . 2]" 1
576 1 5 ARG HD3 1 6 GLU H 0.000 . 5.000 3.960 2.832 4.706 . 0 0 "[ . 1 . 2]" 1
577 1 5 ARG HD2 1 22 VAL MG1 0.000 . 5.000 4.322 2.896 4.904 . 0 0 "[ . 1 . 2]" 1
578 1 5 ARG HD2 1 6 GLU H 0.000 . 3.500 3.319 2.700 3.522 0.022 10 0 "[ . 1 . 2]" 1
579 1 5 ARG QG 1 22 VAL MG1 0.000 . 5.000 3.717 3.109 4.175 . 0 0 "[ . 1 . 2]" 1
580 1 3 TYR QD 1 5 ARG QG 0.000 . 3.500 2.657 2.348 2.998 . 0 0 "[ . 1 . 2]" 1
581 1 3 TYR QE 1 5 ARG QG 0.000 . 5.000 2.984 2.617 3.507 . 0 0 "[ . 1 . 2]" 1
582 1 5 ARG H 1 5 ARG HD3 0.000 . 5.000 4.863 4.438 5.620 0.620 20 1 "[ . 1 . +]" 1
583 1 5 ARG H 1 90 ALA H 0.000 . 3.500 2.917 2.559 3.521 0.021 20 0 "[ . 1 . 2]" 1
584 1 50 GLY HA3 1 51 TRP H 0.000 . 2.700 2.157 2.136 2.332 . 0 0 "[ . 1 . 2]" 1
585 1 50 GLY HA3 1 89 ASP H 0.000 . 3.500 3.140 2.867 3.445 . 0 0 "[ . 1 . 2]" 1
586 1 50 GLY HA3 1 90 ALA H 0.000 . 5.000 3.012 2.727 3.746 . 0 0 "[ . 1 . 2]" 1
587 1 50 GLY HA2 1 51 TRP H 0.000 . 3.500 3.182 2.821 3.294 . 0 0 "[ . 1 . 2]" 1
588 1 50 GLY HA2 1 90 ALA H 0.000 . 5.000 3.852 3.412 4.525 . 0 0 "[ . 1 . 2]" 1
589 1 51 TRP HA 1 51 TRP HE3 0.000 . 3.500 3.065 2.825 3.243 . 0 0 "[ . 1 . 2]" 1
590 1 51 TRP HA 1 52 MET H 0.000 . 2.700 2.191 2.133 2.295 . 0 0 "[ . 1 . 2]" 1
591 1 51 TRP HA 1 58 GLY H 0.000 . 5.000 4.669 4.512 4.852 . 0 0 "[ . 1 . 2]" 1
592 1 51 TRP HB2 1 51 TRP HD1 0.000 . 2.700 2.626 2.586 2.655 . 0 0 "[ . 1 . 2]" 1
593 1 51 TRP H 1 51 TRP HB2 0.000 . 2.700 2.329 2.257 2.392 . 0 0 "[ . 1 . 2]" 1
594 1 51 TRP HB2 1 52 MET H 0.000 . 5.000 4.233 3.950 4.440 . 0 0 "[ . 1 . 2]" 1
595 1 51 TRP HB2 1 91 TYR H 0.000 . 5.000 4.370 4.165 4.840 . 0 0 "[ . 1 . 2]" 1
596 1 16 TYR QD 1 51 TRP HB3 0.000 . 5.000 2.847 2.445 3.251 . 0 0 "[ . 1 . 2]" 1
597 1 16 TYR QE 1 51 TRP HB3 0.000 . 5.000 4.203 3.995 4.645 . 0 0 "[ . 1 . 2]" 1
598 1 51 TRP HB3 1 51 TRP HD1 0.000 . 4.000 3.782 3.734 3.807 . 0 0 "[ . 1 . 2]" 1
599 1 51 TRP HB3 1 51 TRP HE3 0.000 . 3.500 2.635 2.583 2.733 . 0 0 "[ . 1 . 2]" 1
600 1 51 TRP HB3 1 52 MET H 0.000 . 5.000 3.176 2.722 3.576 . 0 0 "[ . 1 . 2]" 1
601 1 51 TRP H 1 51 TRP HD1 0.000 . 5.000 2.724 2.565 3.037 . 0 0 "[ . 1 . 2]" 1
602 1 51 TRP HD1 1 88 TRP H 0.000 . 5.000 4.003 3.839 4.186 . 0 0 "[ . 1 . 2]" 1
603 1 51 TRP HE1 1 87 ARG H 0.000 . 5.000 5.037 5.007 5.072 0.072 6 0 "[ . 1 . 2]" 1
604 1 16 TYR QD 1 51 TRP HE3 0.000 . 2.700 2.339 1.951 2.705 0.005 5 0 "[ . 1 . 2]" 1
605 1 16 TYR QE 1 51 TRP HE3 0.000 . 4.000 4.013 3.934 4.040 0.040 8 0 "[ . 1 . 2]" 1
606 1 51 TRP HE3 1 52 MET H 0.000 . 5.000 3.310 3.010 3.734 . 0 0 "[ . 1 . 2]" 1
607 1 51 TRP HH2 1 86 GLU H 0.000 . 5.000 2.888 2.399 4.388 . 0 0 "[ . 1 . 2]" 1
608 1 51 TRP H 1 91 TYR H 0.000 . 3.500 3.241 2.652 3.512 0.012 12 0 "[ . 1 . 2]" 1
609 1 51 TRP HZ2 1 85 SER H 0.000 . 5.000 4.774 4.407 5.009 0.009 14 0 "[ . 1 . 2]" 1
610 1 51 TRP HZ2 1 86 GLU H 0.000 . 5.000 2.732 2.202 3.263 . 0 0 "[ . 1 . 2]" 1
611 1 51 TRP HZ2 1 88 TRP HE1 0.000 . 5.000 4.799 4.451 4.982 . 0 0 "[ . 1 . 2]" 1
612 1 51 TRP HZ3 1 81 ARG H 0.000 . 5.000 4.953 4.714 5.029 0.029 5 0 "[ . 1 . 2]" 1
613 1 52 MET HA 1 53 ALA H 0.000 . 2.700 2.653 2.536 2.729 0.029 3 0 "[ . 1 . 2]" 1
614 1 32 THR H 1 52 MET HB3 0.000 . 5.000 4.636 4.073 4.976 . 0 0 "[ . 1 . 2]" 1
615 1 52 MET H 1 52 MET HB3 0.000 . 3.500 3.481 3.368 3.527 0.027 1 0 "[ . 1 . 2]" 1
616 1 52 MET HB3 1 53 ALA H 0.000 . 3.500 3.334 3.007 3.480 . 0 0 "[ . 1 . 2]" 1
617 1 32 THR H 1 52 MET HB2 0.000 . 5.000 4.486 4.067 4.893 . 0 0 "[ . 1 . 2]" 1
618 1 52 MET HB2 1 53 ALA H 0.000 . 2.700 1.932 1.784 2.159 . 0 0 "[ . 1 . 2]" 1
619 1 52 MET HB2 1 56 ARG H 0.000 . 5.000 4.830 4.374 5.025 0.025 15 0 "[ . 1 . 2]" 1
620 1 33 TYR QE 1 52 MET ME 0.000 . 3.500 3.253 3.064 3.485 . 0 0 "[ . 1 . 2]" 1
621 1 33 TYR H 1 52 MET ME 0.000 . 5.000 4.130 3.623 4.560 . 0 0 "[ . 1 . 2]" 1
622 1 52 MET ME 1 58 GLY H 0.000 . 5.000 3.331 2.581 3.809 . 0 0 "[ . 1 . 2]" 1
623 1 52 MET H 1 52 MET HG3 0.000 . 5.000 2.654 1.821 3.350 . 0 0 "[ . 1 . 2]" 1
624 1 52 MET HG3 1 53 ALA H 0.000 . 5.000 3.660 3.175 4.180 . 0 0 "[ . 1 . 2]" 1
625 1 52 MET H 1 52 MET HG2 0.000 . 5.000 2.614 1.965 3.263 . 0 0 "[ . 1 . 2]" 1
626 1 52 MET HG2 1 53 ALA H 0.000 . 5.000 4.526 4.211 4.824 . 0 0 "[ . 1 . 2]" 1
627 1 52 MET HG2 1 58 GLY H 0.000 . 5.000 4.578 4.173 5.003 0.003 8 0 "[ . 1 . 2]" 1
628 1 52 MET H 1 56 ARG H 0.000 . 5.000 3.347 3.059 3.663 . 0 0 "[ . 1 . 2]" 1
629 1 53 ALA HA 1 54 LYS H 0.000 . 2.700 2.454 2.260 2.775 0.075 10 0 "[ . 1 . 2]" 1
630 1 53 ALA HA 1 55 GLY H 0.000 . 5.000 3.496 3.069 4.449 . 0 0 "[ . 1 . 2]" 1
631 1 53 ALA HA 1 56 ARG H 0.000 . 5.000 4.744 4.535 4.858 . 0 0 "[ . 1 . 2]" 1
632 1 33 TYR H 1 53 ALA MB 0.000 . 5.000 3.958 3.132 4.562 . 0 0 "[ . 1 . 2]" 1
633 1 53 ALA H 1 53 ALA MB 0.000 . 2.700 2.340 2.043 2.727 0.027 16 0 "[ . 1 . 2]" 1
634 1 53 ALA MB 1 54 LYS H 0.000 . 3.500 2.458 2.015 2.775 . 0 0 "[ . 1 . 2]" 1
635 1 53 ALA MB 1 55 GLY H 0.000 . 5.000 3.506 2.419 4.273 . 0 0 "[ . 1 . 2]" 1
636 1 52 MET H 1 53 ALA H 0.000 . 5.000 4.361 4.314 4.412 . 0 0 "[ . 1 . 2]" 1
637 1 54 LYS H 1 54 LYS HA 0.000 . 2.700 2.432 2.269 2.748 0.048 10 0 "[ . 1 . 2]" 1
638 1 54 LYS HA 1 55 GLY H 0.000 . 5.000 3.324 3.023 3.522 . 0 0 "[ . 1 . 2]" 1
639 1 54 LYS HA 1 54 LYS HB3 0.000 . 3.000 2.799 2.509 2.977 . 0 0 "[ . 1 . 2]" 1
640 1 54 LYS HB3 1 55 GLY H 0.000 . 5.000 3.696 3.001 4.314 . 0 0 "[ . 1 . 2]" 1
641 1 54 LYS HB3 1 56 ARG H 0.000 . 5.000 4.114 3.101 4.984 . 0 0 "[ . 1 . 2]" 1
642 1 54 LYS HA 1 54 LYS HB2 0.000 . 3.000 2.875 2.668 3.019 0.019 12 0 "[ . 1 . 2]" 1
643 1 54 LYS HB2 1 56 ARG H 0.000 . 5.000 4.230 3.301 4.932 . 0 0 "[ . 1 . 2]" 1
644 1 54 LYS H 1 54 LYS QD 0.000 . 5.000 4.014 2.748 4.855 . 0 0 "[ . 1 . 2]" 1
645 1 54 LYS H 1 54 LYS QG 0.000 . 5.000 3.479 2.752 3.993 . 0 0 "[ . 1 . 2]" 1
646 1 54 LYS QG 1 55 GLY H 0.000 . 5.000 4.632 4.426 4.802 . 0 0 "[ . 1 . 2]" 1
647 1 54 LYS HA 1 54 LYS HG3 0.000 . 3.500 2.423 2.054 3.410 . 0 0 "[ . 1 . 2]" 1
648 1 54 LYS H 1 56 ARG H 0.000 . 5.000 4.446 3.985 4.808 . 0 0 "[ . 1 . 2]" 1
649 1 16 TYR QE 1 55 GLY HA3 0.000 . 3.500 2.490 2.298 3.024 . 0 0 "[ . 1 . 2]" 1
650 1 51 TRP HE3 1 55 GLY HA3 0.000 . 3.500 2.333 2.123 2.481 . 0 0 "[ . 1 . 2]" 1
651 1 51 TRP HZ3 1 55 GLY HA3 0.000 . 3.500 3.186 2.671 3.568 0.068 20 0 "[ . 1 . 2]" 1
652 1 55 GLY HA3 1 56 ARG H 0.000 . 5.000 2.957 2.865 3.100 . 0 0 "[ . 1 . 2]" 1
653 1 16 TYR QD 1 55 GLY HA2 0.000 . 3.500 3.438 3.304 3.528 0.028 7 0 "[ . 1 . 2]" 1
654 1 16 TYR QE 1 55 GLY HA2 0.000 . 5.000 3.676 3.512 4.286 . 0 0 "[ . 1 . 2]" 1
655 1 51 TRP HE3 1 55 GLY HA2 0.000 . 3.500 3.485 3.386 3.519 0.019 16 0 "[ . 1 . 2]" 1
656 1 51 TRP HZ3 1 55 GLY HA2 0.000 . 5.000 2.956 2.466 3.204 . 0 0 "[ . 1 . 2]" 1
657 1 55 GLY H 1 55 GLY HA2 0.000 . 2.700 2.885 2.796 2.940 0.240 10 0 "[ . 1 . 2]" 1
658 1 55 GLY HA2 1 56 ARG H 0.000 . 5.000 3.487 3.415 3.526 . 0 0 "[ . 1 . 2]" 1
659 1 54 LYS H 1 55 GLY H 0.000 . 5.000 2.784 2.647 2.930 . 0 0 "[ . 1 . 2]" 1
660 1 56 ARG HA 1 57 VAL H 0.000 . 2.700 2.234 2.168 2.311 . 0 0 "[ . 1 . 2]" 1
661 1 56 ARG HA 1 81 ARG H 0.000 . 5.000 4.851 4.120 5.007 0.007 20 0 "[ . 1 . 2]" 1
662 1 55 GLY H 1 56 ARG HB3 0.000 . 5.000 4.686 4.003 5.005 0.005 18 0 "[ . 1 . 2]" 1
663 1 56 ARG H 1 56 ARG HB3 0.000 . 2.700 2.702 2.526 2.997 0.297 10 0 "[ . 1 . 2]" 1
664 1 55 GLY H 1 56 ARG HB2 0.000 . 5.000 4.194 3.421 4.912 . 0 0 "[ . 1 . 2]" 1
665 1 56 ARG H 1 56 ARG HB2 0.000 . 3.500 2.463 2.248 2.706 . 0 0 "[ . 1 . 2]" 1
666 1 56 ARG HB2 1 57 VAL H 0.000 . 5.000 4.190 4.080 4.412 . 0 0 "[ . 1 . 2]" 1
667 1 33 TYR QD 1 56 ARG HD3 0.000 . 3.500 3.129 2.263 3.499 . 0 0 "[ . 1 . 2]" 1
668 1 33 TYR QD 1 56 ARG HD2 0.000 . 3.500 2.900 1.831 3.484 . 0 0 "[ . 1 . 2]" 1
669 1 56 ARG H 1 56 ARG QG 0.000 . 5.000 3.970 3.830 4.016 . 0 0 "[ . 1 . 2]" 1
670 1 56 ARG QG 1 57 VAL H 0.000 . 3.500 2.425 2.090 2.814 . 0 0 "[ . 1 . 2]" 1
671 1 56 ARG QG 1 79 GLY H 0.000 . 5.000 3.583 3.109 3.864 . 0 0 "[ . 1 . 2]" 1
672 1 55 GLY H 1 56 ARG H 0.000 . 2.700 2.199 1.731 2.656 . 0 0 "[ . 1 . 2]" 1
673 1 51 TRP HA 1 57 VAL HA 0.000 . 3.500 3.015 2.874 3.120 . 0 0 "[ . 1 . 2]" 1
674 1 52 MET H 1 57 VAL HA 0.000 . 5.000 3.806 3.481 4.121 . 0 0 "[ . 1 . 2]" 1
675 1 57 VAL HA 1 58 GLY H 0.000 . 2.700 2.223 2.141 2.328 . 0 0 "[ . 1 . 2]" 1
676 1 51 TRP HE1 1 57 VAL HB 0.000 . 5.000 5.014 4.865 5.153 0.153 13 0 "[ . 1 . 2]" 1
677 1 57 VAL H 1 57 VAL HB 0.000 . 4.000 3.760 2.488 3.887 . 0 0 "[ . 1 . 2]" 1
678 1 57 VAL HB 1 58 GLY H 0.000 . 5.000 3.173 2.816 4.415 . 0 0 "[ . 1 . 2]" 1
679 1 51 TRP HA 1 57 VAL QG 0.000 . 3.500 3.126 2.256 3.339 . 0 0 "[ . 1 . 2]" 1
680 1 51 TRP HE1 1 57 VAL QG 0.000 . 5.000 4.050 2.721 4.344 . 0 0 "[ . 1 . 2]" 1
681 1 51 TRP HE3 1 57 VAL QG 0.000 . 3.500 3.026 2.772 3.305 . 0 0 "[ . 1 . 2]" 1
682 1 51 TRP H 1 57 VAL QG 0.000 . 5.000 4.661 3.376 4.810 . 0 0 "[ . 1 . 2]" 1
683 1 51 TRP HZ3 1 57 VAL QG 0.000 . 3.500 3.022 2.740 3.576 0.076 13 0 "[ . 1 . 2]" 1
684 1 52 MET H 1 57 VAL QG 0.000 . 5.000 4.027 3.748 4.195 . 0 0 "[ . 1 . 2]" 1
685 1 57 VAL QG 1 58 GLY H 0.000 . 3.500 2.888 2.636 3.026 . 0 0 "[ . 1 . 2]" 1
686 1 57 VAL QG 1 81 ARG H 0.000 . 5.000 4.046 3.759 4.449 . 0 0 "[ . 1 . 2]" 1
687 1 57 VAL QG 1 88 TRP HD1 0.000 . 2.700 2.164 1.979 2.308 . 0 0 "[ . 1 . 2]" 1
688 1 57 VAL QG 1 88 TRP HE1 0.000 . 5.000 1.953 1.775 2.292 . 0 0 "[ . 1 . 2]" 1
689 1 50 GLY H 1 57 VAL QG 0.000 . 5.000 4.505 3.697 4.758 . 0 0 "[ . 1 . 2]" 1
690 1 57 VAL QG 1 59 TYR QD 0.000 . 3.500 3.481 3.321 3.520 0.020 3 0 "[ . 1 . 2]" 1
691 1 57 VAL QG 1 59 TYR QE 0.000 . 4.000 3.573 3.428 3.757 . 0 0 "[ . 1 . 2]" 1
692 1 57 VAL QG 1 88 TRP HE3 0.000 . 5.000 4.596 4.247 4.784 . 0 0 "[ . 1 . 2]" 1
693 1 57 VAL QG 1 88 TRP HZ2 0.000 . 5.000 3.384 3.096 3.772 . 0 0 "[ . 1 . 2]" 1
694 1 57 VAL H 1 58 GLY H 0.000 . 5.000 4.424 4.343 4.491 . 0 0 "[ . 1 . 2]" 1
695 1 57 VAL H 1 79 GLY H 0.000 . 5.000 4.519 4.098 4.741 . 0 0 "[ . 1 . 2]" 1
696 1 58 GLY HA3 1 59 TYR HA 0.000 . 5.000 4.452 4.415 4.474 . 0 0 "[ . 1 . 2]" 1
697 1 58 GLY HA3 1 59 TYR H 0.000 . 2.700 2.365 2.308 2.405 . 0 0 "[ . 1 . 2]" 1
698 1 58 GLY HA3 1 75 ILE MG 0.000 . 5.000 4.111 4.008 4.240 . 0 0 "[ . 1 . 2]" 1
699 1 58 GLY HA3 1 78 TYR H 0.000 . 5.000 4.148 3.945 4.322 . 0 0 "[ . 1 . 2]" 1
700 1 58 GLY HA2 1 59 TYR H 0.000 . 2.700 2.769 2.737 2.811 0.111 12 0 "[ . 1 . 2]" 1
701 1 58 GLY HA2 1 78 TYR H 0.000 . 5.000 4.916 4.749 5.021 0.021 8 0 "[ . 1 . 2]" 1
702 1 50 GLY H 1 58 GLY H 0.000 . 3.500 2.714 2.231 3.004 . 0 0 "[ . 1 . 2]" 1
703 1 58 GLY H 1 59 TYR HA 0.000 . 5.000 4.696 4.640 4.743 . 0 0 "[ . 1 . 2]" 1
704 1 48 ALA H 1 59 TYR HB3 0.000 . 5.000 3.570 2.634 3.989 . 0 0 "[ . 1 . 2]" 1
705 1 59 TYR HA 1 59 TYR HB3 0.000 . 2.700 2.315 2.292 2.353 . 0 0 "[ . 1 . 2]" 1
706 1 59 TYR HB3 1 59 TYR QD 0.000 . 3.500 2.522 2.464 2.578 . 0 0 "[ . 1 . 2]" 1
707 1 48 ALA H 1 59 TYR HB2 0.000 . 5.000 3.566 2.390 4.018 . 0 0 "[ . 1 . 2]" 1
708 1 49 ALA HA 1 59 TYR HB2 0.000 . 5.000 3.963 3.667 4.311 . 0 0 "[ . 1 . 2]" 1
709 1 49 ALA MB 1 59 TYR HB2 0.000 . 5.000 4.397 4.192 4.683 . 0 0 "[ . 1 . 2]" 1
710 1 59 TYR HB2 1 59 TYR QD 0.000 . 3.500 2.320 2.288 2.356 . 0 0 "[ . 1 . 2]" 1
711 1 49 ALA H 1 59 TYR QD 0.000 . 5.000 3.122 2.820 3.434 . 0 0 "[ . 1 . 2]" 1
712 1 50 GLY H 1 59 TYR QD 0.000 . 5.000 4.593 4.480 4.723 . 0 0 "[ . 1 . 2]" 1
713 1 58 GLY H 1 59 TYR QD 0.000 . 5.000 3.998 3.871 4.214 . 0 0 "[ . 1 . 2]" 1
714 1 59 TYR H 1 59 TYR QD 0.000 . 5.000 2.771 2.571 2.955 . 0 0 "[ . 1 . 2]" 1
715 1 59 TYR H 1 59 TYR QE 0.000 . 5.000 4.030 3.878 4.149 . 0 0 "[ . 1 . 2]" 1
716 1 59 TYR QE 1 78 TYR H 0.000 . 5.000 5.015 4.981 5.032 0.032 13 0 "[ . 1 . 2]" 1
717 1 6 GLU HA 1 7 ALA H 0.000 . 2.700 2.717 2.621 2.744 0.044 16 0 "[ . 1 . 2]" 1
718 1 6 GLU HA 1 89 ASP HA 0.000 . 3.500 3.022 2.630 3.351 . 0 0 "[ . 1 . 2]" 1
719 1 6 GLU H 1 6 GLU HB3 0.000 . 2.700 2.862 2.664 3.519 0.819 19 3 "[ - * 1 . +2]" 1
720 1 6 GLU HB3 1 7 ALA H 0.000 . 3.500 3.113 1.960 3.543 0.043 1 0 "[ . 1 . 2]" 1
721 1 6 GLU H 1 6 GLU HB2 0.000 . 4.000 3.321 2.265 3.749 . 0 0 "[ . 1 . 2]" 1
722 1 6 GLU HB2 1 7 ALA H 0.000 . 2.700 2.484 1.994 3.541 0.841 7 6 "[ * - + 1 * .* *2]" 1
723 1 6 GLU HG3 1 10 GLY H 0.000 . 5.000 4.633 3.434 5.013 0.013 19 0 "[ . 1 . 2]" 1
724 1 6 GLU HG3 1 11 LYS H 0.000 . 5.000 4.155 3.088 5.011 0.011 16 0 "[ . 1 . 2]" 1
725 1 6 GLU HG2 1 10 GLY H 0.000 . 5.000 4.118 2.454 5.008 0.008 3 0 "[ . 1 . 2]" 1
726 1 6 GLU HG2 1 11 LYS H 0.000 . 5.000 4.612 3.089 5.024 0.024 2 0 "[ . 1 . 2]" 1
727 1 6 GLU H 1 6 GLU HG2 0.000 . 5.000 3.736 2.804 4.883 . 0 0 "[ . 1 . 2]" 1
728 1 6 GLU HG2 1 7 ALA H 0.000 . 5.000 2.718 2.267 4.002 . 0 0 "[ . 1 . 2]" 1
729 1 5 ARG QG 1 6 GLU H 0.000 . 5.000 4.206 3.550 4.376 . 0 0 "[ . 1 . 2]" 1
730 1 5 ARG H 1 6 GLU H 0.000 . 5.000 4.394 4.295 4.504 . 0 0 "[ . 1 . 2]" 1
731 1 60 PRO HA 1 61 ILE MD 0.000 . 5.000 4.078 3.666 5.011 0.011 14 0 "[ . 1 . 2]" 1
732 1 60 PRO HA 1 75 ILE HA 0.000 . 2.700 1.612 1.494 1.707 . 0 0 "[ . 1 . 2]" 1
733 1 60 PRO HA 1 75 ILE MD 0.000 . 5.000 4.606 4.227 4.789 . 0 0 "[ . 1 . 2]" 1
734 1 60 PRO HA 1 76 ILE H 0.000 . 5.000 2.678 2.490 2.839 . 0 0 "[ . 1 . 2]" 1
735 1 45 HIS HD2 1 61 ILE HA 0.000 . 5.000 1.530 1.388 1.990 . 0 0 "[ . 1 . 2]" 1
736 1 61 ILE HB 1 74 GLY H 0.000 . 3.500 3.505 3.482 3.513 0.013 13 0 "[ . 1 . 2]" 1
737 1 45 HIS HD2 1 61 ILE MD 0.000 . 3.500 2.867 2.577 3.565 0.065 14 0 "[ . 1 . 2]" 1
738 1 59 TYR QD 1 61 ILE MD 0.000 . 2.700 1.548 1.377 1.753 . 0 0 "[ . 1 . 2]" 1
739 1 61 ILE MD 1 61 ILE MG 0.000 . 3.000 2.009 1.461 2.236 . 0 0 "[ . 1 . 2]" 1
740 1 45 HIS HD2 1 61 ILE HG13 0.000 . 5.000 5.025 4.850 5.265 0.265 14 0 "[ . 1 . 2]" 1
741 1 59 TYR QD 1 61 ILE HG13 0.000 . 2.700 2.681 2.493 2.996 0.296 16 0 "[ . 1 . 2]" 1
742 1 59 TYR QD 1 61 ILE HG12 0.000 . 3.500 2.708 2.409 2.945 . 0 0 "[ . 1 . 2]" 1
743 1 45 HIS HD2 1 61 ILE MG 0.000 . 2.700 2.451 1.883 2.708 0.008 1 0 "[ . 1 . 2]" 1
744 1 59 TYR QD 1 61 ILE MG 0.000 . 4.000 4.050 4.038 4.067 0.067 14 0 "[ . 1 . 2]" 1
745 1 61 ILE HA 1 61 ILE MG 0.000 . 3.500 2.146 2.120 2.204 . 0 0 "[ . 1 . 2]" 1
746 1 61 ILE HG13 1 61 ILE MG 0.000 . 2.700 2.372 2.208 3.077 0.377 16 0 "[ . 1 . 2]" 1
747 1 61 ILE MG 1 63 LYS H 0.000 . 5.000 2.735 2.387 3.086 . 0 0 "[ . 1 . 2]" 1
748 1 61 ILE MG 1 64 PRO HA 0.000 . 3.500 2.634 2.321 3.096 . 0 0 "[ . 1 . 2]" 1
749 1 61 ILE MG 1 65 GLY H 0.000 . 5.000 4.130 3.441 4.771 . 0 0 "[ . 1 . 2]" 1
750 1 61 ILE MG 1 74 GLY H 0.000 . 5.000 4.715 4.650 4.786 . 0 0 "[ . 1 . 2]" 1
751 1 45 HIS HB2 1 62 VAL HB 0.000 . 3.500 2.135 1.518 3.165 . 0 0 "[ . 1 . 2]" 1
752 1 62 VAL HB 1 63 LYS H 0.000 . 3.500 2.931 2.821 3.138 . 0 0 "[ . 1 . 2]" 1
753 1 62 VAL HA 1 62 VAL QG 0.000 . 2.700 2.074 2.003 2.139 . 0 0 "[ . 1 . 2]" 1
754 1 62 VAL QG 1 63 LYS H 0.000 . 5.000 3.361 3.072 3.468 . 0 0 "[ . 1 . 2]" 1
755 1 43 GLY HA2 1 62 VAL MG2 0.000 . 5.000 4.681 3.526 5.477 0.477 11 0 "[ . 1 . 2]" 1
756 1 62 VAL HA 1 62 VAL MG2 0.000 . 2.700 2.409 2.076 2.657 . 0 0 "[ . 1 . 2]" 1
757 1 62 VAL HA 1 62 VAL MG1 0.000 . 2.700 2.304 2.139 2.633 . 0 0 "[ . 1 . 2]" 1
758 1 62 VAL H 1 63 LYS H 0.000 . 5.000 2.095 1.616 2.340 . 0 0 "[ . 1 . 2]" 1
759 1 45 HIS HD2 1 63 LYS HB3 0.000 . 5.000 5.021 5.010 5.047 0.047 14 0 "[ . 1 . 2]" 1
760 1 45 HIS HD2 1 63 LYS HB2 0.000 . 5.000 5.012 5.001 5.025 0.025 14 0 "[ . 1 . 2]" 1
761 1 63 LYS H 1 63 LYS QG 0.000 . 5.000 4.112 3.993 4.227 . 0 0 "[ . 1 . 2]" 1
762 1 62 VAL MG2 1 63 LYS H 0.000 . 5.000 3.824 3.519 4.133 . 0 0 "[ . 1 . 2]" 1
763 1 64 PRO HA 1 65 GLY H 0.000 . 2.700 2.287 2.152 2.413 . 0 0 "[ . 1 . 2]" 1
764 1 64 PRO HB3 1 65 GLY H 0.000 . 5.000 3.371 2.783 3.980 . 0 0 "[ . 1 . 2]" 1
765 1 64 PRO HB3 1 71 GLY H 0.000 . 5.000 3.476 2.721 4.043 . 0 0 "[ . 1 . 2]" 1
766 1 64 PRO HB2 1 65 GLY H 0.000 . 5.000 3.193 2.646 3.941 . 0 0 "[ . 1 . 2]" 1
767 1 64 PRO HB2 1 71 GLY H 0.000 . 5.000 4.732 3.899 5.009 0.009 1 0 "[ . 1 . 2]" 1
768 1 63 LYS HA 1 64 PRO QD 0.000 . 2.700 1.974 1.805 2.330 . 0 0 "[ . 1 . 2]" 1
769 1 64 PRO HG3 1 73 THR MG 0.000 . 5.000 3.053 1.991 4.162 . 0 0 "[ . 1 . 2]" 1
770 1 65 GLY HA3 1 66 PRO HD2 0.000 . 3.500 3.282 2.630 4.268 0.768 17 1 "[ . 1 . + 2]" 1
771 1 65 GLY H 1 66 PRO HA 0.000 . 5.000 5.013 4.938 5.046 0.046 11 0 "[ . 1 . 2]" 1
772 1 66 PRO HA 1 67 ASN H 0.000 . 5.000 2.631 2.149 3.390 . 0 0 "[ . 1 . 2]" 1
773 1 66 PRO HA 1 68 CYS H 0.000 . 5.000 4.039 3.368 5.011 0.011 11 0 "[ . 1 . 2]" 1
774 1 66 PRO QD 1 67 ASN H 0.000 . 5.000 4.351 2.482 5.005 0.005 2 0 "[ . 1 . 2]" 1
775 1 66 PRO QG 1 67 ASN H 0.000 . 5.000 4.099 2.687 4.717 . 0 0 "[ . 1 . 2]" 1
776 1 67 ASN H 1 67 ASN HA 0.000 . 2.700 2.520 2.273 2.795 0.095 6 0 "[ . 1 . 2]" 1
777 1 67 ASN HA 1 68 CYS H 0.000 . 5.000 3.017 2.535 3.545 . 0 0 "[ . 1 . 2]" 1
778 1 67 ASN HB3 1 67 ASN HD21 0.000 . 3.500 2.717 2.119 3.531 0.031 4 0 "[ . 1 . 2]" 1
779 1 67 ASN HA 1 67 ASN HB2 0.000 . 2.700 2.689 2.432 3.021 0.321 2 0 "[ . 1 . 2]" 1
780 1 67 ASN H 1 67 ASN QD 0.000 . 5.000 3.993 2.153 5.028 0.028 7 0 "[ . 1 . 2]" 1
781 1 67 ASN H 1 68 CYS H 0.000 . 3.500 2.633 2.144 2.826 . 0 0 "[ . 1 . 2]" 1
782 1 65 GLY H 1 68 CYS HB2 0.000 . 5.000 4.280 3.095 5.006 0.006 14 0 "[ . 1 . 2]" 1
783 1 61 ILE MD 1 68 CYS HB3 0.000 . 5.000 4.034 3.386 5.018 0.018 12 0 "[ . 1 . 2]" 1
784 1 65 GLY H 1 68 CYS HB3 0.000 . 5.000 4.041 3.090 5.003 0.003 20 0 "[ . 1 . 2]" 1
785 1 68 CYS H 1 69 GLY HA3 0.000 . 5.000 4.966 3.873 5.948 0.948 6 2 "[ .+ 1 . -]" 1
786 1 69 GLY HA3 1 70 PHE H 0.000 . 5.000 2.158 2.138 2.302 . 0 0 "[ . 1 . 2]" 1
787 1 69 GLY HA2 1 70 PHE H 0.000 . 5.000 3.256 2.873 3.387 . 0 0 "[ . 1 . 2]" 1
788 1 7 ALA HA 1 14 LEU QD 0.000 . 3.500 2.152 1.732 2.870 . 0 0 "[ . 1 . 2]" 1
789 1 7 ALA HA 1 8 ARG H 0.000 . 2.700 2.512 2.242 2.719 0.019 17 0 "[ . 1 . 2]" 1
790 1 7 ALA MB 1 10 GLY H 0.000 . 2.700 2.293 1.988 2.702 0.002 15 0 "[ . 1 . 2]" 1
791 1 7 ALA MB 1 14 LEU QD 0.000 . 3.500 1.964 1.549 2.446 . 0 0 "[ . 1 . 2]" 1
792 1 6 GLU HA 1 7 ALA MB 0.000 . 5.000 4.202 4.012 4.332 . 0 0 "[ . 1 . 2]" 1
793 1 7 ALA H 1 7 ALA MB 0.000 . 2.700 2.196 2.064 2.399 . 0 0 "[ . 1 . 2]" 1
794 1 7 ALA MB 1 8 ARG H 0.000 . 3.500 2.333 1.842 2.870 . 0 0 "[ . 1 . 2]" 1
795 1 7 ALA MB 1 9 SER H 0.000 . 3.500 2.439 2.079 2.772 . 0 0 "[ . 1 . 2]" 1
796 1 70 PHE HA 1 70 PHE QD 0.000 . 3.500 2.826 2.492 3.023 . 0 0 "[ . 1 . 2]" 1
797 1 70 PHE HA 1 71 GLY H 0.000 . 3.500 3.224 2.234 3.396 . 0 0 "[ . 1 . 2]" 1
798 1 70 PHE HB3 1 70 PHE QD 0.000 . 2.700 2.380 2.269 2.555 . 0 0 "[ . 1 . 2]" 1
799 1 70 PHE HB3 1 72 LYS H 0.000 . 5.000 3.584 2.616 4.929 . 0 0 "[ . 1 . 2]" 1
800 1 70 PHE H 1 70 PHE QD 0.000 . 5.000 3.529 2.587 4.096 . 0 0 "[ . 1 . 2]" 1
801 1 71 GLY HA3 1 72 LYS H 0.000 . 3.500 3.445 2.442 3.570 0.070 10 0 "[ . 1 . 2]" 1
802 1 71 GLY HA2 1 72 LYS H 0.000 . 5.000 2.815 2.290 3.546 . 0 0 "[ . 1 . 2]" 1
803 1 70 PHE H 1 71 GLY H 0.000 . 5.000 2.588 2.208 4.164 . 0 0 "[ . 1 . 2]" 1
804 1 72 LYS HA 1 73 THR H 0.000 . 2.700 2.485 2.336 2.728 0.028 7 0 "[ . 1 . 2]" 1
805 1 72 LYS HA 1 72 LYS QB 0.000 . 2.700 2.461 2.174 2.533 . 0 0 "[ . 1 . 2]" 1
806 1 72 LYS H 1 72 LYS QB 0.000 . 2.700 2.309 2.149 2.770 0.070 7 0 "[ . 1 . 2]" 1
807 1 72 LYS QB 1 73 THR H 0.000 . 2.700 2.356 1.831 2.664 . 0 0 "[ . 1 . 2]" 1
808 1 72 LYS QB 1 76 ILE MD 0.000 . 5.000 3.821 2.694 4.728 . 0 0 "[ . 1 . 2]" 1
809 1 72 LYS QD 1 73 THR H 0.000 . 5.000 4.112 2.827 4.924 . 0 0 "[ . 1 . 2]" 1
810 1 72 LYS QG 1 73 THR H 0.000 . 5.000 3.293 1.774 4.210 . 0 0 "[ . 1 . 2]" 1
811 1 72 LYS HA 1 72 LYS HG2 0.000 . 3.500 2.889 2.110 3.605 0.105 7 0 "[ . 1 . 2]" 1
812 1 71 GLY H 1 72 LYS H 0.000 . 3.500 2.901 1.880 3.506 0.006 2 0 "[ . 1 . 2]" 1
813 1 72 LYS H 1 73 THR H 0.000 . 5.000 4.541 4.442 4.631 . 0 0 "[ . 1 . 2]" 1
814 1 73 THR HA 1 74 GLY H 0.000 . 2.700 2.150 2.143 2.168 . 0 0 "[ . 1 . 2]" 1
815 1 73 THR HB 1 74 GLY H 0.000 . 3.500 3.365 3.169 3.504 0.004 7 0 "[ . 1 . 2]" 1
816 1 64 PRO QD 1 73 THR MG 0.000 . 3.500 2.547 2.139 3.276 . 0 0 "[ . 1 . 2]" 1
817 1 73 THR HA 1 73 THR MG 0.000 . 3.500 2.266 2.010 2.469 . 0 0 "[ . 1 . 2]" 1
818 1 73 THR H 1 73 THR MG 0.000 . 3.500 2.980 2.571 3.476 . 0 0 "[ . 1 . 2]" 1
819 1 73 THR MG 1 74 GLY H 0.000 . 5.000 3.866 3.443 4.064 . 0 0 "[ . 1 . 2]" 1
820 1 74 GLY HA3 1 75 ILE H 0.000 . 2.700 2.497 2.418 2.596 . 0 0 "[ . 1 . 2]" 1
821 1 74 GLY HA2 1 75 ILE H 0.000 . 2.700 2.643 2.539 2.721 0.021 3 0 "[ . 1 . 2]" 1
822 1 74 GLY H 1 75 ILE H 0.000 . 4.500 4.372 4.326 4.413 . 0 0 "[ . 1 . 2]" 1
823 1 59 TYR H 1 75 ILE HA 0.000 . 5.000 4.266 4.105 4.515 . 0 0 "[ . 1 . 2]" 1
824 1 75 ILE HA 1 76 ILE H 0.000 . 2.700 2.136 2.131 2.143 . 0 0 "[ . 1 . 2]" 1
825 1 75 ILE HB 1 75 ILE MD 0.000 . 3.500 2.367 2.268 2.442 . 0 0 "[ . 1 . 2]" 1
826 1 75 ILE H 1 75 ILE HB 0.000 . 2.700 2.255 2.220 2.274 . 0 0 "[ . 1 . 2]" 1
827 1 75 ILE HB 1 76 ILE H 0.000 . 5.000 4.444 4.392 4.477 . 0 0 "[ . 1 . 2]" 1
828 1 33 TYR QD 1 75 ILE MD 0.000 . 5.000 3.540 3.362 3.685 . 0 0 "[ . 1 . 2]" 1
829 1 33 TYR QE 1 75 ILE MD 0.000 . 5.000 3.144 2.970 3.264 . 0 0 "[ . 1 . 2]" 1
830 1 36 LEU H 1 75 ILE MD 0.000 . 5.000 4.324 3.940 4.580 . 0 0 "[ . 1 . 2]" 1
831 1 37 GLU HA 1 75 ILE MD 0.000 . 3.500 2.984 2.743 3.198 . 0 0 "[ . 1 . 2]" 1
832 1 37 GLU H 1 75 ILE MD 0.000 . 5.000 3.449 2.643 3.705 . 0 0 "[ . 1 . 2]" 1
833 1 40 ARG H 1 75 ILE MD 0.000 . 5.000 4.823 4.524 4.953 . 0 0 "[ . 1 . 2]" 1
834 1 75 ILE H 1 75 ILE MD 0.000 . 5.000 3.815 3.710 3.877 . 0 0 "[ . 1 . 2]" 1
835 1 75 ILE MD 1 76 ILE H 0.000 . 5.000 5.002 4.948 5.019 0.019 18 0 "[ . 1 . 2]" 1
836 1 59 TYR H 1 75 ILE HG12 0.000 . 5.000 5.010 5.003 5.019 0.019 16 0 "[ . 1 . 2]" 1
837 1 75 ILE H 1 75 ILE HG12 0.000 . 5.000 3.892 3.804 4.025 . 0 0 "[ . 1 . 2]" 1
838 1 75 ILE H 1 75 ILE HG13 0.000 . 3.500 2.749 2.685 2.837 . 0 0 "[ . 1 . 2]" 1
839 1 75 ILE HG13 1 76 ILE H 0.000 . 5.000 4.749 4.588 4.848 . 0 0 "[ . 1 . 2]" 1
840 1 33 TYR QD 1 75 ILE MG 0.000 . 3.500 3.514 3.506 3.535 0.035 15 0 "[ . 1 . 2]" 1
841 1 33 TYR QE 1 75 ILE MG 0.000 . 2.700 2.131 1.943 2.462 . 0 0 "[ . 1 . 2]" 1
842 1 52 MET ME 1 75 ILE MG 0.000 . 3.500 3.388 3.004 3.507 0.007 18 0 "[ . 1 . 2]" 1
843 1 59 TYR HA 1 75 ILE MG 0.000 . 5.000 4.720 4.592 4.923 . 0 0 "[ . 1 . 2]" 1
844 1 59 TYR H 1 75 ILE MG 0.000 . 3.500 3.488 3.418 3.511 0.011 16 0 "[ . 1 . 2]" 1
845 1 75 ILE HA 1 75 ILE MG 0.000 . 3.500 2.632 2.611 2.671 . 0 0 "[ . 1 . 2]" 1
846 1 75 ILE MD 1 75 ILE MG 0.000 . 3.500 1.988 1.842 2.132 . 0 0 "[ . 1 . 2]" 1
847 1 75 ILE MG 1 76 ILE H 0.000 . 3.500 2.810 2.633 2.939 . 0 0 "[ . 1 . 2]" 1
848 1 76 ILE HA 1 77 ASP H 0.000 . 2.700 2.279 2.263 2.289 . 0 0 "[ . 1 . 2]" 1
849 1 59 TYR H 1 76 ILE HB 0.000 . 3.500 2.454 2.219 2.745 . 0 0 "[ . 1 . 2]" 1
850 1 76 ILE H 1 76 ILE HB 0.000 . 3.500 2.671 2.535 2.878 . 0 0 "[ . 1 . 2]" 1
851 1 59 TYR QD 1 76 ILE MD 0.000 . 3.500 3.522 3.499 3.547 0.047 16 0 "[ . 1 . 2]" 1
852 1 76 ILE HA 1 76 ILE MD 0.000 . 3.500 2.994 2.657 3.194 . 0 0 "[ . 1 . 2]" 1
853 1 76 ILE MD 1 77 ASP H 0.000 . 5.000 4.904 4.636 5.042 0.042 13 0 "[ . 1 . 2]" 1
854 1 59 TYR QD 1 76 ILE HG12 0.000 . 5.000 4.223 3.524 4.719 . 0 0 "[ . 1 . 2]" 1
855 1 76 ILE H 1 76 ILE HG12 0.000 . 5.000 2.435 1.831 2.872 . 0 0 "[ . 1 . 2]" 1
856 1 59 TYR QD 1 76 ILE HG13 0.000 . 3.500 2.649 2.056 3.100 . 0 0 "[ . 1 . 2]" 1
857 1 76 ILE H 1 76 ILE HG13 0.000 . 3.500 3.014 2.854 3.235 . 0 0 "[ . 1 . 2]" 1
858 1 59 TYR QD 1 76 ILE MG 0.000 . 3.500 3.541 3.518 3.568 0.068 16 0 "[ . 1 . 2]" 1
859 1 59 TYR QE 1 76 ILE MG 0.000 . 3.500 2.325 2.172 2.547 . 0 0 "[ . 1 . 2]" 1
860 1 76 ILE HA 1 76 ILE MG 0.000 . 3.500 2.323 2.228 2.402 . 0 0 "[ . 1 . 2]" 1
861 1 76 ILE MG 1 77 ASP H 0.000 . 3.500 3.513 3.472 3.537 0.037 4 0 "[ . 1 . 2]" 1
862 1 59 TYR H 1 76 ILE H 0.000 . 3.500 2.602 2.452 2.828 . 0 0 "[ . 1 . 2]" 1
863 1 75 ILE H 1 76 ILE H 0.000 . 5.000 4.483 4.452 4.532 . 0 0 "[ . 1 . 2]" 1
864 1 58 GLY HA3 1 77 ASP HA 0.000 . 5.000 2.553 2.300 2.760 . 0 0 "[ . 1 . 2]" 1
865 1 58 GLY HA2 1 77 ASP HA 0.000 . 5.000 2.961 2.758 3.094 . 0 0 "[ . 1 . 2]" 1
866 1 77 ASP HA 1 78 TYR H 0.000 . 2.700 2.149 2.135 2.191 . 0 0 "[ . 1 . 2]" 1
867 1 75 ILE MG 1 77 ASP QB 0.000 . 5.000 2.202 2.112 2.332 . 0 0 "[ . 1 . 2]" 1
868 1 77 ASP H 1 77 ASP QB 0.000 . 2.700 2.474 2.422 2.513 . 0 0 "[ . 1 . 2]" 1
869 1 75 ILE MG 1 77 ASP H 0.000 . 3.500 2.807 2.717 2.886 . 0 0 "[ . 1 . 2]" 1
870 1 77 ASP H 1 78 TYR H 0.000 . 5.000 4.233 4.100 4.387 . 0 0 "[ . 1 . 2]" 1
871 1 78 TYR H 1 78 TYR HB3 0.000 . 3.500 3.287 3.011 3.676 0.176 16 0 "[ . 1 . 2]" 1
872 1 78 TYR HB3 1 79 GLY H 0.000 . 5.000 4.039 3.561 4.425 . 0 0 "[ . 1 . 2]" 1
873 1 78 TYR HB2 1 79 GLY H 0.000 . 5.000 4.047 3.790 4.392 . 0 0 "[ . 1 . 2]" 1
874 1 79 GLY HA3 1 80 ILE H 0.000 . 3.500 2.445 2.327 2.580 . 0 0 "[ . 1 . 2]" 1
875 1 78 TYR H 1 79 GLY HA2 0.000 . 5.000 5.137 5.031 5.295 0.295 13 0 "[ . 1 . 2]" 1
876 1 79 GLY H 1 79 GLY HA2 0.000 . 2.700 2.861 2.783 2.913 0.213 9 0 "[ . 1 . 2]" 1
877 1 79 GLY HA2 1 80 ILE H 0.000 . 2.700 2.709 2.565 2.845 0.145 17 0 "[ . 1 . 2]" 1
878 1 78 TYR H 1 79 GLY H 0.000 . 3.500 2.607 2.467 2.941 . 0 0 "[ . 1 . 2]" 1
879 1 8 ARG HA 1 10 GLY H 0.000 . 5.000 4.652 3.914 5.026 0.026 5 0 "[ . 1 . 2]" 1
880 1 8 ARG HA 1 9 SER H 0.000 . 5.000 3.464 3.321 3.538 . 0 0 "[ . 1 . 2]" 1
881 1 8 ARG QB 1 10 GLY H 0.000 . 5.000 4.590 3.850 5.026 0.026 13 0 "[ . 1 . 2]" 1
882 1 8 ARG HA 1 8 ARG QB 0.000 . 2.700 2.439 2.172 2.539 . 0 0 "[ . 1 . 2]" 1
883 1 8 ARG H 1 8 ARG QB 0.000 . 2.700 2.261 2.039 2.705 0.005 6 0 "[ . 1 . 2]" 1
884 1 8 ARG QB 1 9 SER H 0.000 . 3.500 3.020 2.646 3.499 . 0 0 "[ . 1 . 2]" 1
885 1 8 ARG H 1 8 ARG QD 0.000 . 5.000 3.912 2.354 4.646 . 0 0 "[ . 1 . 2]" 1
886 1 8 ARG HA 1 8 ARG QG 0.000 . 3.500 2.379 2.009 3.356 . 0 0 "[ . 1 . 2]" 1
887 1 8 ARG H 1 8 ARG QG 0.000 . 3.500 2.820 1.968 3.452 . 0 0 "[ . 1 . 2]" 1
888 1 8 ARG QG 1 9 SER H 0.000 . 5.000 4.108 1.918 4.742 . 0 0 "[ . 1 . 2]" 1
889 1 56 ARG HA 1 80 ILE HA 0.000 . 3.500 3.124 2.656 3.389 . 0 0 "[ . 1 . 2]" 1
890 1 57 VAL H 1 80 ILE HA 0.000 . 5.000 4.053 3.538 4.381 . 0 0 "[ . 1 . 2]" 1
891 1 80 ILE H 1 80 ILE HA 0.000 . 2.700 2.741 2.717 2.771 0.071 6 0 "[ . 1 . 2]" 1
892 1 80 ILE HA 1 81 ARG H 0.000 . 2.700 2.202 2.148 2.289 . 0 0 "[ . 1 . 2]" 1
893 1 80 ILE H 1 80 ILE HB 0.000 . 2.700 2.698 2.527 2.746 0.046 13 0 "[ . 1 . 2]" 1
894 1 54 LYS H 1 80 ILE MD 0.000 . 5.000 4.845 4.328 5.032 0.032 6 0 "[ . 1 . 2]" 1
895 1 55 GLY H 1 80 ILE MD 0.000 . 5.000 3.529 2.752 4.170 . 0 0 "[ . 1 . 2]" 1
896 1 56 ARG H 1 80 ILE MD 0.000 . 5.000 2.861 2.558 3.374 . 0 0 "[ . 1 . 2]" 1
897 1 57 VAL H 1 80 ILE MD 0.000 . 5.000 3.925 3.504 4.402 . 0 0 "[ . 1 . 2]" 1
898 1 80 ILE HA 1 80 ILE MD 0.000 . 2.700 2.236 1.827 2.650 . 0 0 "[ . 1 . 2]" 1
899 1 80 ILE H 1 80 ILE MD 0.000 . 5.000 3.123 2.246 3.610 . 0 0 "[ . 1 . 2]" 1
900 1 56 ARG H 1 80 ILE HG12 0.000 . 5.000 5.129 4.998 5.595 0.595 6 4 "[ * .+ 1 - . * 2]" 1
901 1 80 ILE HG12 1 80 ILE MG 0.000 . 3.500 3.170 3.112 3.197 . 0 0 "[ . 1 . 2]" 1
902 1 80 ILE H 1 80 ILE HG12 0.000 . 3.500 1.860 1.713 2.136 . 0 0 "[ . 1 . 2]" 1
903 1 80 ILE HG13 1 80 ILE MG 0.000 . 3.500 2.467 2.053 2.718 . 0 0 "[ . 1 . 2]" 1
904 1 80 ILE H 1 80 ILE HG13 0.000 . 3.500 3.280 2.964 3.527 0.027 13 0 "[ . 1 . 2]" 1
905 1 80 ILE HA 1 80 ILE MG 0.000 . 2.700 2.300 2.184 2.407 . 0 0 "[ . 1 . 2]" 1
906 1 80 ILE MG 1 81 ARG H 0.000 . 3.500 2.404 1.986 3.064 . 0 0 "[ . 1 . 2]" 1
907 1 80 ILE MG 1 83 ASN H 0.000 . 5.000 3.228 2.828 4.115 . 0 0 "[ . 1 . 2]" 1
908 1 80 ILE MG 1 84 ARG H 0.000 . 5.000 4.932 4.562 5.038 0.038 6 0 "[ . 1 . 2]" 1
909 1 79 GLY H 1 80 ILE H 0.000 . 5.000 4.450 4.316 4.571 . 0 0 "[ . 1 . 2]" 1
910 1 81 ARG HA 1 81 ARG HE 0.000 . 5.000 4.051 2.724 4.999 . 0 0 "[ . 1 . 2]" 1
911 1 81 ARG HA 1 82 LEU H 0.000 . 5.000 3.086 2.966 3.287 . 0 0 "[ . 1 . 2]" 1
912 1 81 ARG HA 1 83 ASN H 0.000 . 5.000 4.250 3.940 5.022 0.022 5 0 "[ . 1 . 2]" 1
913 1 81 ARG QB 1 81 ARG HE 0.000 . 5.000 2.646 1.891 3.998 . 0 0 "[ . 1 . 2]" 1
914 1 81 ARG H 1 81 ARG QB 0.000 . 3.500 2.640 2.439 2.816 . 0 0 "[ . 1 . 2]" 1
915 1 81 ARG QB 1 83 ASN H 0.000 . 5.000 2.974 2.444 4.773 . 0 0 "[ . 1 . 2]" 1
916 1 81 ARG HA 1 81 ARG QD 0.000 . 3.500 2.849 2.044 3.578 0.078 5 0 "[ . 1 . 2]" 1
917 1 81 ARG H 1 81 ARG QD 0.000 . 5.000 3.879 3.068 4.535 . 0 0 "[ . 1 . 2]" 1
918 1 81 ARG H 1 81 ARG QG 0.000 . 3.500 2.215 1.861 2.881 . 0 0 "[ . 1 . 2]" 1
919 1 81 ARG QG 1 88 TRP HE1 0.000 . 5.000 3.839 3.142 4.872 . 0 0 "[ . 1 . 2]" 1
920 1 80 ILE H 1 81 ARG H 0.000 . 5.000 4.576 4.386 4.633 . 0 0 "[ . 1 . 2]" 1
921 1 81 ARG H 1 82 LEU H 0.000 . 5.000 2.571 2.258 2.861 . 0 0 "[ . 1 . 2]" 1
922 1 82 LEU HA 1 83 ASN H 0.000 . 5.000 3.110 2.717 3.486 . 0 0 "[ . 1 . 2]" 1
923 1 82 LEU HB3 1 82 LEU MD1 0.000 . 2.700 2.352 2.018 2.822 0.122 6 0 "[ . 1 . 2]" 1
924 1 82 LEU HA 1 82 LEU MD2 0.000 . 2.700 2.242 1.834 2.797 0.097 6 0 "[ . 1 . 2]" 1
925 1 82 LEU HB3 1 82 LEU MD2 0.000 . 3.500 3.170 2.957 3.197 . 0 0 "[ . 1 . 2]" 1
926 1 82 LEU HB2 1 82 LEU MD2 0.000 . 3.500 2.345 2.019 2.797 . 0 0 "[ . 1 . 2]" 1
927 1 82 LEU HA 1 82 LEU MD1 0.000 . 2.700 2.187 1.691 2.796 0.096 17 0 "[ . 1 . 2]" 1
928 1 82 LEU HB2 1 82 LEU MD1 0.000 . 3.500 3.169 2.952 3.198 . 0 0 "[ . 1 . 2]" 1
929 1 82 LEU H 1 82 LEU MD1 0.000 . 5.000 4.027 3.652 4.320 . 0 0 "[ . 1 . 2]" 1
930 1 80 ILE HB 1 82 LEU H 0.000 . 3.500 3.277 2.883 3.513 0.013 4 0 "[ . 1 . 2]" 1
931 1 82 LEU H 1 83 ASN H 0.000 . 3.000 2.742 2.638 3.036 0.036 6 0 "[ . 1 . 2]" 1
932 1 83 ASN HA 1 84 ARG H 0.000 . 2.700 2.199 2.138 2.310 . 0 0 "[ . 1 . 2]" 1
933 1 83 ASN HA 1 85 SER H 0.000 . 5.000 3.522 3.238 4.064 . 0 0 "[ . 1 . 2]" 1
934 1 83 ASN HB3 1 83 ASN HD22 0.000 . 3.500 3.656 3.435 4.093 0.593 12 5 "[ **- * 1 + . 2]" 1
935 1 83 ASN H 1 83 ASN HB3 0.000 . 3.500 3.118 2.394 3.461 . 0 0 "[ . 1 . 2]" 1
936 1 83 ASN HB3 1 85 SER H 0.000 . 5.000 3.421 2.653 4.242 . 0 0 "[ . 1 . 2]" 1
937 1 83 ASN H 1 83 ASN HB2 0.000 . 3.500 3.279 2.255 3.596 0.096 6 0 "[ . 1 . 2]" 1
938 1 83 ASN HB2 1 85 SER H 0.000 . 5.000 4.287 2.590 4.579 . 0 0 "[ . 1 . 2]" 1
939 1 83 ASN QD 1 85 SER H 0.000 . 5.000 3.230 2.013 4.831 . 0 0 "[ . 1 . 2]" 1
940 1 83 ASN H 1 83 ASN QD 0.000 . 5.000 4.442 3.210 4.793 . 0 0 "[ . 1 . 2]" 1
941 1 83 ASN H 1 83 ASN HD21 0.000 . 5.000 4.633 3.422 5.010 0.010 8 0 "[ . 1 . 2]" 1
942 1 16 TYR H 1 84 ARG HA 0.000 . 5.000 4.583 3.727 4.987 . 0 0 "[ . 1 . 2]" 1
943 1 51 TRP HH2 1 84 ARG HA 0.000 . 3.500 1.981 1.809 2.494 . 0 0 "[ . 1 . 2]" 1
944 1 84 ARG H 1 84 ARG HB3 0.000 . 2.700 2.956 2.504 3.611 0.911 7 7 "[ . +* - ** ** 2]" 1
945 1 84 ARG HB3 1 85 SER H 0.000 . 5.000 4.539 4.306 4.614 . 0 0 "[ . 1 . 2]" 1
946 1 17 ALA H 1 84 ARG HB2 0.000 . 5.000 4.548 3.917 5.312 0.312 10 0 "[ . 1 . 2]" 1
947 1 84 ARG HB2 1 85 SER H 0.000 . 5.000 4.330 3.901 4.522 . 0 0 "[ . 1 . 2]" 1
948 1 17 ALA H 1 84 ARG QG 0.000 . 5.000 4.274 3.539 4.841 . 0 0 "[ . 1 . 2]" 1
949 1 84 ARG H 1 84 ARG QG 0.000 . 3.500 2.398 1.860 3.377 . 0 0 "[ . 1 . 2]" 1
950 1 83 ASN HB2 1 84 ARG H 0.000 . 5.000 4.477 3.946 4.664 . 0 0 "[ . 1 . 2]" 1
951 1 85 SER HA 1 86 GLU H 0.000 . 5.000 3.173 2.976 3.302 . 0 0 "[ . 1 . 2]" 1
952 1 83 ASN HD21 1 85 SER QB 0.000 . 5.000 3.549 1.864 5.305 0.305 12 0 "[ . 1 . 2]" 1
953 1 85 SER HA 1 85 SER QB 0.000 . 2.700 2.453 2.299 2.540 . 0 0 "[ . 1 . 2]" 1
954 1 85 SER H 1 85 SER QB 0.000 . 3.500 2.351 2.166 2.654 . 0 0 "[ . 1 . 2]" 1
955 1 85 SER QB 1 86 GLU H 0.000 . 5.000 3.540 3.353 3.750 . 0 0 "[ . 1 . 2]" 1
956 1 84 ARG HA 1 85 SER H 0.000 . 3.500 2.956 2.704 3.094 . 0 0 "[ . 1 . 2]" 1
957 1 84 ARG H 1 85 SER H 0.000 . 3.500 3.019 2.870 3.397 . 0 0 "[ . 1 . 2]" 1
958 1 86 GLU HA 1 87 ARG H 0.000 . 2.700 2.466 2.272 2.707 0.007 13 0 "[ . 1 . 2]" 1
959 1 51 TRP HZ2 1 86 GLU HB3 0.000 . 5.000 3.540 3.231 4.283 . 0 0 "[ . 1 . 2]" 1
960 1 86 GLU HB3 1 87 ARG H 0.000 . 3.500 2.472 1.904 2.888 . 0 0 "[ . 1 . 2]" 1
961 1 86 GLU HB3 1 88 TRP HE1 0.000 . 3.500 3.385 3.114 3.519 0.019 2 0 "[ . 1 . 2]" 1
962 1 51 TRP HZ2 1 86 GLU HB2 0.000 . 3.500 1.853 1.584 2.573 . 0 0 "[ . 1 . 2]" 1
963 1 86 GLU H 1 86 GLU HB2 0.000 . 3.500 2.819 2.401 2.994 . 0 0 "[ . 1 . 2]" 1
964 1 86 GLU HB2 1 87 ARG H 0.000 . 3.500 3.149 2.790 3.501 0.001 20 0 "[ . 1 . 2]" 1
965 1 86 GLU HB2 1 88 TRP HE1 0.000 . 3.500 3.520 3.512 3.532 0.032 3 0 "[ . 1 . 2]" 1
966 1 51 TRP HZ2 1 86 GLU HG3 0.000 . 3.500 3.261 2.519 3.712 0.212 18 0 "[ . 1 . 2]" 1
967 1 85 SER H 1 86 GLU HG3 0.000 . 5.000 4.385 3.097 4.923 . 0 0 "[ . 1 . 2]" 1
968 1 86 GLU H 1 86 GLU HG2 0.000 . 5.000 1.879 1.485 2.925 . 0 0 "[ . 1 . 2]" 1
969 1 86 GLU HG2 1 87 ARG H 0.000 . 5.000 4.760 4.205 5.006 0.006 18 0 "[ . 1 . 2]" 1
970 1 85 SER H 1 86 GLU H 0.000 . 3.500 2.343 1.937 2.534 . 0 0 "[ . 1 . 2]" 1
971 1 13 LYS H 1 87 ARG QB 0.000 . 5.000 3.217 1.907 3.654 . 0 0 "[ . 1 . 2]" 1
972 1 14 LEU H 1 87 ARG QB 0.000 . 5.000 3.615 3.361 3.775 . 0 0 "[ . 1 . 2]" 1
973 1 87 ARG QB 1 87 ARG HE 0.000 . 5.000 3.351 1.928 4.025 . 0 0 "[ . 1 . 2]" 1
974 1 87 ARG H 1 87 ARG QB 0.000 . 2.700 2.652 2.575 2.688 . 0 0 "[ . 1 . 2]" 1
975 1 87 ARG QB 1 88 TRP H 0.000 . 5.000 3.599 3.257 3.853 . 0 0 "[ . 1 . 2]" 1
976 1 87 ARG H 1 87 ARG HD2 0.000 . 5.000 4.075 2.565 5.015 0.015 2 0 "[ . 1 . 2]" 1
977 1 86 GLU HG3 1 87 ARG H 0.000 . 5.000 4.900 4.468 5.013 0.013 18 0 "[ . 1 . 2]" 1
978 1 86 GLU H 1 87 ARG H 0.000 . 5.000 4.594 4.470 4.626 . 0 0 "[ . 1 . 2]" 1
979 1 51 TRP HE1 1 88 TRP HB3 0.000 . 5.000 3.566 3.331 3.894 . 0 0 "[ . 1 . 2]" 1
980 1 51 TRP H 1 88 TRP HB3 0.000 . 5.000 4.081 3.758 4.583 . 0 0 "[ . 1 . 2]" 1
981 1 88 TRP HB3 1 88 TRP HD1 0.000 . 3.500 3.556 3.532 3.600 0.100 13 0 "[ . 1 . 2]" 1
982 1 88 TRP HB3 1 89 ASP H 0.000 . 3.500 1.615 1.454 2.150 . 0 0 "[ . 1 . 2]" 1
983 1 51 TRP HE1 1 88 TRP HB2 0.000 . 5.000 1.911 1.630 2.245 . 0 0 "[ . 1 . 2]" 1
984 1 88 TRP HB2 1 88 TRP HD1 0.000 . 3.500 2.527 2.518 2.535 . 0 0 "[ . 1 . 2]" 1
985 1 88 TRP HB2 1 89 ASP H 0.000 . 2.700 2.920 2.664 3.474 0.774 8 4 "[ * .* + 1- . 2]" 1
986 1 51 TRP HE1 1 88 TRP HD1 0.000 . 5.000 3.289 2.748 3.745 . 0 0 "[ . 1 . 2]" 1
987 1 51 TRP HZ2 1 88 TRP HD1 0.000 . 3.500 2.818 2.459 3.016 . 0 0 "[ . 1 . 2]" 1
988 1 12 TYR QD 1 88 TRP HE3 0.000 . 5.000 2.728 1.828 3.422 . 0 0 "[ . 1 . 2]" 1
989 1 12 TYR QE 1 88 TRP HE3 0.000 . 3.500 2.298 1.956 2.755 . 0 0 "[ . 1 . 2]" 1
990 1 88 TRP HE3 1 89 ASP H 0.000 . 5.000 3.362 2.934 3.682 . 0 0 "[ . 1 . 2]" 1
991 1 14 LEU H 1 88 TRP H 0.000 . 3.500 2.560 1.831 2.990 . 0 0 "[ . 1 . 2]" 1
992 1 51 TRP HE1 1 88 TRP H 0.000 . 3.500 2.252 1.782 2.826 . 0 0 "[ . 1 . 2]" 1
993 1 87 ARG HA 1 88 TRP H 0.000 . 2.700 2.209 2.124 2.384 . 0 0 "[ . 1 . 2]" 1
994 1 87 ARG H 1 88 TRP H 0.000 . 5.000 4.042 3.608 4.402 . 0 0 "[ . 1 . 2]" 1
995 1 59 TYR QD 1 88 TRP HZ2 0.000 . 5.000 5.046 5.028 5.065 0.065 5 0 "[ . 1 . 2]" 1
996 1 59 TYR QE 1 88 TRP HZ2 0.000 . 3.500 3.481 3.361 3.520 0.020 13 0 "[ . 1 . 2]" 1
997 1 12 TYR QE 1 88 TRP HZ3 0.000 . 3.500 2.749 2.348 3.119 . 0 0 "[ . 1 . 2]" 1
998 1 14 LEU H 1 89 ASP HA 0.000 . 5.000 4.177 3.927 4.355 . 0 0 "[ . 1 . 2]" 1
999 1 88 TRP H 1 89 ASP HA 0.000 . 5.000 4.803 4.572 5.006 0.006 8 0 "[ . 1 . 2]" 1
1000 1 89 ASP HA 1 90 ALA H 0.000 . 3.500 3.044 2.708 3.171 . 0 0 "[ . 1 . 2]" 1
1001 1 4 HIS HD2 1 89 ASP HB2 0.000 . 5.000 3.746 2.679 4.339 . 0 0 "[ . 1 . 2]" 1
1002 1 50 GLY HA3 1 89 ASP HB2 0.000 . 3.500 3.185 2.693 4.492 0.992 3 2 "[ + . - 1 . 2]" 1
1003 1 89 ASP H 1 89 ASP HB2 0.000 . 3.500 2.520 2.269 3.459 . 0 0 "[ . 1 . 2]" 1
1004 1 89 ASP HB2 1 90 ALA H 0.000 . 3.500 2.760 2.483 2.972 . 0 0 "[ . 1 . 2]" 1
1005 1 4 HIS HD2 1 89 ASP HB3 0.000 . 3.500 3.265 2.414 3.558 0.058 3 0 "[ . 1 . 2]" 1
1006 1 5 ARG H 1 89 ASP HB3 0.000 . 5.000 3.656 2.990 5.425 0.425 3 0 "[ . 1 . 2]" 1
1007 1 89 ASP HA 1 89 ASP HB3 0.000 . 2.700 2.663 2.534 2.841 0.141 8 0 "[ . 1 . 2]" 1
1008 1 89 ASP HB3 1 90 ALA H 0.000 . 2.700 1.681 1.378 3.585 0.885 3 2 "[ + . - 1 . 2]" 1
1009 1 9 SER HA 1 10 GLY H 0.000 . 3.500 3.286 2.691 3.549 0.049 8 0 "[ . 1 . 2]" 1
1010 1 9 SER H 1 9 SER HB3 0.000 . 3.500 3.220 2.604 3.636 0.136 17 0 "[ . 1 . 2]" 1
1011 1 8 ARG H 1 9 SER H 0.000 . 5.000 2.713 2.526 2.901 . 0 0 "[ . 1 . 2]" 1
1012 1 51 TRP HD1 1 90 ALA HA 0.000 . 5.000 3.786 3.534 4.048 . 0 0 "[ . 1 . 2]" 1
1013 1 51 TRP H 1 90 ALA HA 0.000 . 2.700 1.950 1.518 2.175 . 0 0 "[ . 1 . 2]" 1
1014 1 90 ALA HA 1 91 TYR H 0.000 . 2.700 2.136 2.126 2.178 . 0 0 "[ . 1 . 2]" 1
1015 1 19 ALA HA 1 90 ALA MB 0.000 . 3.500 2.693 2.568 2.850 . 0 0 "[ . 1 . 2]" 1
1016 1 19 ALA H 1 90 ALA MB 0.000 . 5.000 4.459 4.323 4.631 . 0 0 "[ . 1 . 2]" 1
1017 1 23 CYS H 1 90 ALA MB 0.000 . 5.000 4.375 4.162 4.841 . 0 0 "[ . 1 . 2]" 1
1018 1 5 ARG H 1 90 ALA MB 0.000 . 5.000 3.602 3.340 3.847 . 0 0 "[ . 1 . 2]" 1
1019 1 51 TRP HD1 1 90 ALA MB 0.000 . 3.500 3.545 3.497 3.563 0.063 14 0 "[ . 1 . 2]" 1
1020 1 51 TRP H 1 90 ALA MB 0.000 . 5.000 3.280 2.765 3.525 . 0 0 "[ . 1 . 2]" 1
1021 1 90 ALA H 1 90 ALA MB 0.000 . 3.500 2.752 2.490 2.837 . 0 0 "[ . 1 . 2]" 1
1022 1 90 ALA MB 1 91 TYR H 0.000 . 3.500 3.181 2.920 3.307 . 0 0 "[ . 1 . 2]" 1
1023 1 90 ALA MB 1 92 CYS H 0.000 . 3.500 3.515 3.374 3.543 0.043 11 0 "[ . 1 . 2]" 1
1024 1 44 PHE QE 1 91 TYR HA 0.000 . 5.000 4.324 4.162 4.445 . 0 0 "[ . 1 . 2]" 1
1025 1 5 ARG H 1 91 TYR HA 0.000 . 5.000 3.519 3.176 3.700 . 0 0 "[ . 1 . 2]" 1
1026 1 91 TYR HA 1 91 TYR QD 0.000 . 3.500 2.177 2.066 2.398 . 0 0 "[ . 1 . 2]" 1
1027 1 91 TYR HA 1 92 CYS H 0.000 . 2.700 2.389 2.355 2.449 . 0 0 "[ . 1 . 2]" 1
1028 1 31 ALA H 1 91 TYR HB3 0.000 . 5.000 4.098 3.893 4.523 . 0 0 "[ . 1 . 2]" 1
1029 1 91 TYR HA 1 91 TYR HB3 0.000 . 2.700 2.641 2.561 2.670 . 0 0 "[ . 1 . 2]" 1
1030 1 91 TYR HB3 1 91 TYR QD 0.000 . 2.700 2.685 2.618 2.718 0.018 16 0 "[ . 1 . 2]" 1
1031 1 91 TYR HB3 1 92 CYS H 0.000 . 5.000 4.212 4.181 4.243 . 0 0 "[ . 1 . 2]" 1
1032 1 31 ALA H 1 91 TYR HB2 0.000 . 5.000 4.103 3.839 4.362 . 0 0 "[ . 1 . 2]" 1
1033 1 91 TYR HB2 1 91 TYR QD 0.000 . 2.700 2.282 2.270 2.292 . 0 0 "[ . 1 . 2]" 1
1034 1 91 TYR HB2 1 91 TYR QE 0.000 . 5.000 4.382 4.376 4.387 . 0 0 "[ . 1 . 2]" 1
1035 1 91 TYR H 1 91 TYR HB2 0.000 . 3.500 2.246 2.193 2.350 . 0 0 "[ . 1 . 2]" 1
1036 1 50 GLY HA2 1 91 TYR QD 0.000 . 2.700 2.402 2.118 2.701 0.001 14 0 "[ . 1 . 2]" 1
1037 1 50 GLY H 1 91 TYR QD 0.000 . 5.000 2.833 2.501 3.233 . 0 0 "[ . 1 . 2]" 1
1038 1 91 TYR H 1 91 TYR QD 0.000 . 5.000 3.491 3.202 3.612 . 0 0 "[ . 1 . 2]" 1
1039 1 91 TYR QD 1 92 CYS H 0.000 . 5.000 4.230 4.076 4.466 . 0 0 "[ . 1 . 2]" 1
1040 1 4 HIS H 1 91 TYR QE 0.000 . 5.000 4.357 4.226 4.518 . 0 0 "[ . 1 . 2]" 1
1041 1 44 PHE QE 1 91 TYR QE 0.000 . 2.700 2.734 2.719 2.766 0.066 20 0 "[ . 1 . 2]" 1
1042 1 50 GLY HA2 1 91 TYR QE 0.000 . 3.500 3.480 3.219 3.519 0.019 16 0 "[ . 1 . 2]" 1
1043 1 50 GLY H 1 91 TYR QE 0.000 . 3.500 2.362 2.123 2.826 . 0 0 "[ . 1 . 2]" 1
1044 1 59 TYR HA 1 91 TYR QE 0.000 . 3.500 2.769 2.511 3.285 . 0 0 "[ . 1 . 2]" 1
1045 1 90 ALA H 1 91 TYR H 0.000 . 5.000 4.016 3.850 4.244 . 0 0 "[ . 1 . 2]" 1
1046 1 29 HIS H 1 92 CYS HA 0.000 . 5.000 3.996 3.572 4.700 . 0 0 "[ . 1 . 2]" 1
1047 1 3 TYR QD 1 92 CYS HA 0.000 . 5.000 5.065 5.052 5.090 0.090 17 0 "[ . 1 . 2]" 1
1048 1 31 ALA H 1 92 CYS HA 0.000 . 3.500 3.189 2.788 3.490 . 0 0 "[ . 1 . 2]" 1
1049 1 92 CYS HA 1 93 TYR H 0.000 . 2.700 2.399 2.303 2.567 . 0 0 "[ . 1 . 2]" 1
1050 1 3 TYR QE 1 92 CYS HB2 0.000 . 3.500 3.305 3.008 3.530 0.030 16 0 "[ . 1 . 2]" 1
1051 1 92 CYS H 1 92 CYS HB2 0.000 . 3.500 2.289 2.070 2.581 . 0 0 "[ . 1 . 2]" 1
1052 1 92 CYS HB2 1 93 TYR H 0.000 . 5.000 3.794 3.502 4.091 . 0 0 "[ . 1 . 2]" 1
1053 1 92 CYS H 1 92 CYS HB3 0.000 . 3.500 3.501 3.265 3.574 0.074 10 0 "[ . 1 . 2]" 1
1054 1 92 CYS HB3 1 93 TYR H 0.000 . 3.500 2.502 2.101 2.933 . 0 0 "[ . 1 . 2]" 1
1055 1 3 TYR H 1 92 CYS H 0.000 . 4.000 3.939 3.768 4.020 0.020 6 0 "[ . 1 . 2]" 1
1056 1 91 TYR H 1 92 CYS H 0.000 . 5.000 3.783 3.698 3.837 . 0 0 "[ . 1 . 2]" 1
1057 1 2 VAL HA 1 93 TYR HA 0.000 . 2.700 1.822 1.631 1.930 . 0 0 "[ . 1 . 2]" 1
1058 1 3 TYR H 1 93 TYR HA 0.000 . 5.000 3.036 2.879 3.175 . 0 0 "[ . 1 . 2]" 1
1059 1 93 TYR HA 1 93 TYR QD 0.000 . 3.500 3.057 2.855 3.199 . 0 0 "[ . 1 . 2]" 1
1060 1 93 TYR HA 1 94 ASN H 0.000 . 2.700 2.158 2.128 2.282 . 0 0 "[ . 1 . 2]" 1
1061 1 2 VAL MG2 1 93 TYR HB2 0.000 . 3.500 3.081 2.101 3.368 . 0 0 "[ . 1 . 2]" 1
1062 1 31 ALA HA 1 93 TYR HB2 0.000 . 3.500 2.885 2.322 3.525 0.025 6 0 "[ . 1 . 2]" 1
1063 1 31 ALA MB 1 93 TYR HB2 0.000 . 3.500 1.600 1.483 1.761 . 0 0 "[ . 1 . 2]" 1
1064 1 93 TYR HB2 1 93 TYR QD 0.000 . 2.700 2.290 2.274 2.358 . 0 0 "[ . 1 . 2]" 1
1065 1 93 TYR H 1 93 TYR HB2 0.000 . 3.500 3.347 3.248 3.461 . 0 0 "[ . 1 . 2]" 1
1066 1 93 TYR HB2 1 94 ASN H 0.000 . 5.000 4.272 4.008 4.404 . 0 0 "[ . 1 . 2]" 1
1067 1 29 HIS H 1 93 TYR HB3 0.000 . 5.000 3.673 3.375 3.837 . 0 0 "[ . 1 . 2]" 1
1068 1 31 ALA HA 1 93 TYR HB3 0.000 . 5.000 2.843 2.634 3.267 . 0 0 "[ . 1 . 2]" 1
1069 1 31 ALA MB 1 93 TYR HB3 0.000 . 5.000 2.848 2.285 3.165 . 0 0 "[ . 1 . 2]" 1
1070 1 93 TYR HB3 1 93 TYR QD 0.000 . 2.700 2.665 2.445 2.728 0.028 12 0 "[ . 1 . 2]" 1
1071 1 93 TYR H 1 93 TYR HB3 0.000 . 3.500 3.053 2.944 3.135 . 0 0 "[ . 1 . 2]" 1
1072 1 2 VAL H 1 93 TYR QD 0.000 . 5.000 3.598 3.221 3.772 . 0 0 "[ . 1 . 2]" 1
1073 1 29 HIS H 1 93 TYR QD 0.000 . 5.000 4.637 4.303 4.966 . 0 0 "[ . 1 . 2]" 1
1074 1 93 TYR H 1 93 TYR QD 0.000 . 5.000 4.337 4.175 4.459 . 0 0 "[ . 1 . 2]" 1
1075 1 93 TYR QD 1 94 ASN H 0.000 . 5.000 2.641 2.386 2.992 . 0 0 "[ . 1 . 2]" 1
1076 1 93 TYR QD 1 95 PRO HA 0.000 . 5.000 4.996 4.855 5.040 0.040 5 0 "[ . 1 . 2]" 1
1077 1 1 GLY HA2 1 93 TYR QE 0.000 . 5.000 4.674 3.771 5.013 0.013 13 0 "[ . 1 . 2]" 1
1078 1 29 HIS H 1 93 TYR H 0.000 . 5.000 2.345 1.914 3.021 . 0 0 "[ . 1 . 2]" 1
1079 1 31 ALA H 1 93 TYR H 0.000 . 5.000 4.172 4.058 4.236 . 0 0 "[ . 1 . 2]" 1
1080 1 3 TYR QE 1 94 ASN QB 0.000 . 2.700 2.707 2.553 2.749 0.049 4 0 "[ . 1 . 2]" 1
1081 1 94 ASN H 1 94 ASN QB 0.000 . 3.500 2.857 2.705 2.907 . 0 0 "[ . 1 . 2]" 1
1082 1 94 ASN QB 1 96 HIS H 0.000 . 5.000 3.054 2.391 3.708 . 0 0 "[ . 1 . 2]" 1
1083 1 94 ASN QB 1 97 ALA H 0.000 . 5.000 2.578 1.732 3.085 . 0 0 "[ . 1 . 2]" 1
1084 1 28 GLY H 1 94 ASN QD 0.000 . 3.500 3.543 3.523 3.585 0.085 18 0 "[ . 1 . 2]" 1
1085 1 93 TYR H 1 94 ASN H 0.000 . 5.000 4.094 3.970 4.287 . 0 0 "[ . 1 . 2]" 1
1086 1 93 TYR QE 1 95 PRO HA 0.000 . 5.000 3.967 3.522 4.444 . 0 0 "[ . 1 . 2]" 1
1087 1 95 PRO HA 1 96 HIS H 0.000 . 5.000 3.363 3.253 3.500 . 0 0 "[ . 1 . 2]" 1
1088 1 95 PRO HB3 1 96 HIS H 0.000 . 5.000 4.439 4.261 4.549 . 0 0 "[ . 1 . 2]" 1
1089 1 93 TYR QE 1 95 PRO HB2 0.000 . 5.000 5.093 4.943 5.261 0.261 15 0 "[ . 1 . 2]" 1
1090 1 95 PRO HB2 1 95 PRO HG3 0.000 . 2.700 2.676 2.662 2.713 0.013 5 0 "[ . 1 . 2]" 1
1091 1 95 PRO HB2 1 96 HIS H 0.000 . 5.000 3.790 3.387 4.017 . 0 0 "[ . 1 . 2]" 1
1092 1 93 TYR QE 1 95 PRO HD3 0.000 . 5.000 2.338 2.204 2.902 . 0 0 "[ . 1 . 2]" 1
1093 1 94 ASN HA 1 95 PRO HD3 0.000 . 2.700 2.420 1.990 2.569 . 0 0 "[ . 1 . 2]" 1
1094 1 95 PRO HD3 1 96 HIS H 0.000 . 5.000 4.022 3.582 4.126 . 0 0 "[ . 1 . 2]" 1
1095 1 94 ASN HA 1 95 PRO HD2 0.000 . 2.700 1.970 1.862 2.440 . 0 0 "[ . 1 . 2]" 1
1096 1 95 PRO HD2 1 96 HIS H 0.000 . 3.500 3.001 2.298 3.196 . 0 0 "[ . 1 . 2]" 1
1097 1 95 PRO HD2 1 97 ALA H 0.000 . 5.000 4.601 4.038 4.895 . 0 0 "[ . 1 . 2]" 1
1098 1 93 TYR QE 1 95 PRO HG2 0.000 . 5.000 5.001 4.855 5.059 0.059 5 0 "[ . 1 . 2]" 1
1099 1 95 PRO HG2 1 96 HIS H 0.000 . 3.500 3.178 2.719 3.501 0.001 19 0 "[ . 1 . 2]" 1
1100 1 93 TYR QE 1 95 PRO HG3 0.000 . 5.000 3.879 3.610 4.020 . 0 0 "[ . 1 . 2]" 1
1101 1 95 PRO HG3 1 96 HIS H 0.000 . 5.000 4.494 4.183 4.744 . 0 0 "[ . 1 . 2]" 1
1102 1 96 HIS HA 1 97 ALA H 0.000 . 3.500 3.237 2.991 3.536 0.036 1 0 "[ . 1 . 2]" 1
1103 1 96 HIS HA 1 96 HIS QB 0.000 . 2.700 2.460 2.350 2.518 . 0 0 "[ . 1 . 2]" 1
1104 1 96 HIS H 1 96 HIS QB 0.000 . 2.700 2.434 2.255 2.513 . 0 0 "[ . 1 . 2]" 1
1105 1 96 HIS QB 1 97 ALA H 0.000 . 5.000 3.389 2.608 3.716 . 0 0 "[ . 1 . 2]" 1
1106 1 96 HIS H 1 96 HIS HD2 0.000 . 5.000 4.524 3.447 5.014 0.014 10 0 "[ . 1 . 2]" 1
1107 1 94 ASN QD 1 96 HIS H 0.000 . 3.500 3.394 3.339 3.474 . 0 0 "[ . 1 . 2]" 1
1108 1 96 HIS H 1 97 ALA HA 0.000 . 5.000 4.491 4.218 4.683 . 0 0 "[ . 1 . 2]" 1
1109 1 97 ALA HA 1 98 LYS H 0.000 . 2.700 2.660 2.601 2.729 0.029 3 0 "[ . 1 . 2]" 1
1110 1 3 TYR QE 1 97 ALA MB 0.000 . 3.500 2.736 2.502 2.955 . 0 0 "[ . 1 . 2]" 1
1111 1 93 TYR H 1 97 ALA MB 0.000 . 5.000 5.034 5.015 5.063 0.063 16 0 "[ . 1 . 2]" 1
1112 1 94 ASN H 1 97 ALA MB 0.000 . 5.000 3.348 2.851 3.764 . 0 0 "[ . 1 . 2]" 1
1113 1 96 HIS H 1 97 ALA MB 0.000 . 5.000 3.604 3.365 3.854 . 0 0 "[ . 1 . 2]" 1
1114 1 97 ALA H 1 97 ALA MB 0.000 . 2.700 2.212 2.086 2.702 0.002 1 0 "[ . 1 . 2]" 1
1115 1 97 ALA MB 1 98 LYS H 0.000 . 5.000 3.715 3.697 3.722 . 0 0 "[ . 1 . 2]" 1
1116 1 96 HIS H 1 97 ALA H 0.000 . 3.500 2.068 1.837 2.447 . 0 0 "[ . 1 . 2]" 1
1117 1 98 LYS H 1 98 LYS HB3 0.000 . 3.500 3.236 2.715 4.024 0.524 2 1 "[ + . 1 . 2]" 1
1118 1 98 LYS H 1 98 LYS QG 0.000 . 5.000 3.824 1.796 4.275 . 0 0 "[ . 1 . 2]" 1
1119 1 96 HIS H 1 98 LYS H 0.000 . 5.000 4.905 4.804 5.013 0.013 3 0 "[ . 1 . 2]" 1
1120 1 97 ALA H 1 98 LYS H 0.000 . 3.500 3.396 3.156 3.505 0.005 10 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 64
_Distance_constraint_stats_list.Viol_count 272
_Distance_constraint_stats_list.Viol_total 81.481
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0089
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0032
_Distance_constraint_stats_list.Viol_average_violations_only 0.0150
_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 3 TYR 0.074 0.020 18 0 "[ . 1 . 2]"
1 5 ARG 0.266 0.044 10 0 "[ . 1 . 2]"
1 14 LEU 0.456 0.081 19 0 "[ . 1 . 2]"
1 15 THR 0.501 0.045 17 0 "[ . 1 . 2]"
1 16 TYR 0.001 0.001 13 0 "[ . 1 . 2]"
1 17 ALA 0.290 0.040 18 0 "[ . 1 . 2]"
1 18 GLU 0.392 0.045 17 0 "[ . 1 . 2]"
1 19 ALA 0.219 0.065 16 0 "[ . 1 . 2]"
1 20 LYS 0.001 0.001 13 0 "[ . 1 . 2]"
1 21 ALA 0.314 0.040 18 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.110 0.065 16 0 "[ . 1 . 2]"
1 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 PHE 0.024 0.009 18 0 "[ . 1 . 2]"
1 29 HIS 0.284 0.041 20 0 "[ . 1 . 2]"
1 31 ALA 0.035 0.016 12 0 "[ . 1 . 2]"
1 32 THR 0.306 0.036 15 0 "[ . 1 . 2]"
1 33 TYR 0.019 0.010 11 0 "[ . 1 . 2]"
1 34 LYS 0.231 0.025 4 0 "[ . 1 . 2]"
1 35 GLN 0.766 0.048 15 0 "[ . 1 . 2]"
1 36 LEU 0.073 0.014 19 0 "[ . 1 . 2]"
1 37 GLU 0.019 0.010 11 0 "[ . 1 . 2]"
1 38 ALA 0.231 0.025 4 0 "[ . 1 . 2]"
1 39 ALA 1.120 0.049 12 0 "[ . 1 . 2]"
1 40 ARG 0.132 0.016 6 0 "[ . 1 . 2]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.059 0.016 6 0 "[ . 1 . 2]"
1 44 PHE 0.661 0.049 12 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 51 TRP 0.221 0.031 15 0 "[ . 1 . 2]"
1 52 MET 0.003 0.003 13 0 "[ . 1 . 2]"
1 56 ARG 0.003 0.003 13 0 "[ . 1 . 2]"
1 58 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 88 TRP 0.456 0.081 19 0 "[ . 1 . 2]"
1 89 ASP 0.221 0.031 15 0 "[ . 1 . 2]"
1 90 ALA 0.266 0.044 10 0 "[ . 1 . 2]"
1 91 TYR 0.035 0.016 12 0 "[ . 1 . 2]"
1 92 CYS 0.074 0.020 18 0 "[ . 1 . 2]"
1 93 TYR 0.284 0.041 20 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 TYR N 1 92 CYS O 0.000 . 3.300 2.616 2.473 2.875 . 0 0 "[ . 1 . 2]" 2
2 1 3 TYR H 1 92 CYS O 0.000 . 2.300 1.800 1.708 2.017 . 0 0 "[ . 1 . 2]" 2
3 1 5 ARG N 1 90 ALA O 0.000 . 3.300 2.782 2.650 2.911 . 0 0 "[ . 1 . 2]" 2
4 1 5 ARG H 1 90 ALA O 0.000 . 2.300 1.947 1.787 2.082 . 0 0 "[ . 1 . 2]" 2
5 1 5 ARG O 1 90 ALA N 0.000 . 3.300 2.968 2.782 3.128 . 0 0 "[ . 1 . 2]" 2
6 1 5 ARG O 1 90 ALA H 0.000 . 2.300 2.294 2.032 2.344 0.044 10 0 "[ . 1 . 2]" 2
7 1 3 TYR O 1 92 CYS N 0.000 . 3.300 2.519 2.330 2.661 . 0 0 "[ . 1 . 2]" 2
8 1 3 TYR O 1 92 CYS H 0.000 . 2.300 2.257 2.061 2.320 0.020 18 0 "[ . 1 . 2]" 2
9 1 29 HIS O 1 93 TYR N 0.000 . 3.300 2.848 2.704 2.977 . 0 0 "[ . 1 . 2]" 2
10 1 29 HIS O 1 93 TYR H 0.000 . 2.300 2.302 2.167 2.339 0.039 16 0 "[ . 1 . 2]" 2
11 1 29 HIS N 1 93 TYR O 0.000 . 3.300 3.108 2.867 3.293 . 0 0 "[ . 1 . 2]" 2
12 1 29 HIS H 1 93 TYR O 0.000 . 2.300 2.205 1.959 2.341 0.041 20 0 "[ . 1 . 2]" 2
13 1 31 ALA N 1 91 TYR O 0.000 . 3.300 3.042 2.840 3.194 . 0 0 "[ . 1 . 2]" 2
14 1 31 ALA H 1 91 TYR O 0.000 . 2.300 2.160 1.934 2.316 0.016 12 0 "[ . 1 . 2]" 2
15 1 50 GLY N 1 58 GLY O 0.000 . 3.300 2.985 2.847 3.115 . 0 0 "[ . 1 . 2]" 2
16 1 50 GLY H 1 58 GLY O 0.000 . 2.300 2.139 1.981 2.301 0.001 11 0 "[ . 1 . 2]" 2
17 1 52 MET N 1 56 ARG O 0.000 . 3.300 2.921 2.768 3.123 . 0 0 "[ . 1 . 2]" 2
18 1 52 MET H 1 56 ARG O 0.000 . 2.300 2.093 1.801 2.303 0.003 13 0 "[ . 1 . 2]" 2
19 1 14 LEU O 1 88 TRP N 0.000 . 3.300 3.060 2.769 3.289 . 0 0 "[ . 1 . 2]" 2
20 1 14 LEU O 1 88 TRP H 0.000 . 2.300 2.130 1.831 2.313 0.013 15 0 "[ . 1 . 2]" 2
21 1 14 LEU N 1 88 TRP O 0.000 . 3.300 3.056 2.799 3.308 0.008 17 0 "[ . 1 . 2]" 2
22 1 14 LEU H 1 88 TRP O 0.000 . 2.300 2.210 1.946 2.381 0.081 19 0 "[ . 1 . 2]" 2
23 1 49 ALA O 1 89 ASP N 0.000 . 3.300 2.670 2.509 2.800 . 0 0 "[ . 1 . 2]" 2
24 1 49 ALA O 1 89 ASP H 0.000 . 2.300 1.821 1.664 1.974 . 0 0 "[ . 1 . 2]" 2
25 1 51 TRP N 1 89 ASP O 0.000 . 3.300 3.219 2.714 3.302 0.002 15 0 "[ . 1 . 2]" 2
26 1 51 TRP H 1 89 ASP O 0.000 . 2.300 2.273 2.053 2.331 0.031 15 0 "[ . 1 . 2]" 2
27 1 15 THR O 1 19 ALA N 0.000 . 3.300 3.115 2.892 3.194 . 0 0 "[ . 1 . 2]" 2
28 1 15 THR O 1 19 ALA H 0.000 . 2.300 2.236 1.990 2.316 0.016 3 0 "[ . 1 . 2]" 2
29 1 16 TYR O 1 20 LYS N 0.000 . 3.300 3.027 2.925 3.224 . 0 0 "[ . 1 . 2]" 2
30 1 16 TYR O 1 20 LYS H 0.000 . 2.300 2.091 1.991 2.301 0.001 13 0 "[ . 1 . 2]" 2
31 1 17 ALA O 1 21 ALA N 0.000 . 3.300 3.230 3.160 3.283 . 0 0 "[ . 1 . 2]" 2
32 1 17 ALA O 1 21 ALA H 0.000 . 2.300 2.311 2.239 2.340 0.040 18 0 "[ . 1 . 2]" 2
33 1 18 GLU O 1 22 VAL N 0.000 . 3.300 2.816 2.685 2.893 . 0 0 "[ . 1 . 2]" 2
34 1 18 GLU O 1 22 VAL H 0.000 . 2.300 1.853 1.721 1.933 . 0 0 "[ . 1 . 2]" 2
35 1 19 ALA O 1 23 CYS N 0.000 . 3.300 3.123 3.037 3.243 . 0 0 "[ . 1 . 2]" 2
36 1 19 ALA O 1 23 CYS H 0.000 . 2.300 2.265 2.157 2.365 0.065 16 0 "[ . 1 . 2]" 2
37 1 20 LYS O 1 24 GLU N 0.000 . 3.300 2.956 2.801 3.179 . 0 0 "[ . 1 . 2]" 2
38 1 20 LYS O 1 24 GLU H 0.000 . 2.300 1.985 1.849 2.204 . 0 0 "[ . 1 . 2]" 2
39 1 21 ALA O 1 25 PHE N 0.000 . 3.300 2.821 2.638 2.987 . 0 0 "[ . 1 . 2]" 2
40 1 21 ALA O 1 25 PHE H 0.000 . 2.300 2.191 1.945 2.309 0.009 18 0 "[ . 1 . 2]" 2
41 1 32 THR O 1 36 LEU N 0.000 . 3.300 2.870 2.812 2.992 . 0 0 "[ . 1 . 2]" 2
42 1 32 THR O 1 36 LEU H 0.000 . 2.300 2.029 1.943 2.226 . 0 0 "[ . 1 . 2]" 2
43 1 33 TYR O 1 37 GLU N 0.000 . 3.300 3.044 2.880 3.204 . 0 0 "[ . 1 . 2]" 2
44 1 33 TYR O 1 37 GLU H 0.000 . 2.300 2.236 2.062 2.310 0.010 11 0 "[ . 1 . 2]" 2
45 1 34 LYS O 1 38 ALA N 0.000 . 3.300 3.241 2.883 3.278 . 0 0 "[ . 1 . 2]" 2
46 1 34 LYS O 1 38 ALA H 0.000 . 2.300 2.291 1.906 2.325 0.025 4 0 "[ . 1 . 2]" 2
47 1 35 GLN O 1 39 ALA N 0.000 . 3.300 3.139 3.064 3.184 . 0 0 "[ . 1 . 2]" 2
48 1 35 GLN O 1 39 ALA H 0.000 . 2.300 2.321 2.252 2.348 0.048 15 0 "[ . 1 . 2]" 2
49 1 36 LEU O 1 40 ARG N 0.000 . 3.300 2.946 2.689 3.060 . 0 0 "[ . 1 . 2]" 2
50 1 36 LEU O 1 40 ARG H 0.000 . 2.300 2.220 1.884 2.314 0.014 19 0 "[ . 1 . 2]" 2
51 1 37 GLU O 1 41 LYS N 0.000 . 3.300 2.927 2.625 3.111 . 0 0 "[ . 1 . 2]" 2
52 1 37 GLU O 1 41 LYS H 0.000 . 2.300 2.030 1.664 2.244 . 0 0 "[ . 1 . 2]" 2
53 1 15 THR OG1 1 18 GLU N 0.000 . 3.300 3.201 3.089 3.282 . 0 0 "[ . 1 . 2]" 2
54 1 15 THR OG1 1 18 GLU H 0.000 . 2.300 2.306 2.215 2.345 0.045 17 0 "[ . 1 . 2]" 2
55 1 15 THR N 1 18 GLU OE1 0.000 . 3.300 2.981 2.662 3.112 . 0 0 "[ . 1 . 2]" 2
56 1 15 THR H 1 18 GLU OE1 0.000 . 2.300 2.289 2.063 2.320 0.020 13 0 "[ . 1 . 2]" 2
57 1 32 THR OG1 1 35 GLN N 0.000 . 3.300 3.275 3.043 3.313 0.013 15 0 "[ . 1 . 2]" 2
58 1 32 THR OG1 1 35 GLN H 0.000 . 2.300 2.299 2.076 2.336 0.036 15 0 "[ . 1 . 2]" 2
59 1 32 THR N 1 35 GLN OE1 0.000 . 3.300 2.925 2.845 2.981 . 0 0 "[ . 1 . 2]" 2
60 1 32 THR H 1 35 GLN OE1 0.000 . 2.300 2.301 2.257 2.318 0.018 15 0 "[ . 1 . 2]" 2
61 1 39 ALA O 1 44 PHE N 0.000 . 3.300 3.005 2.888 3.096 . 0 0 "[ . 1 . 2]" 2
62 1 39 ALA O 1 44 PHE H 0.000 . 2.300 2.333 2.305 2.349 0.049 12 0 "[ . 1 . 2]" 2
63 1 40 ARG O 1 43 GLY N 0.000 . 3.300 2.850 2.746 3.109 . 0 0 "[ . 1 . 2]" 2
64 1 40 ARG O 1 43 GLY H 0.000 . 2.300 2.229 2.011 2.316 0.016 6 0 "[ . 1 . 2]" 2
stop_
save_
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