NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
486941 |
2kwp   |
16868 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kwp
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 1221
_Distance_constraint_stats_list.Viol_count 868
_Distance_constraint_stats_list.Viol_total 1149.795
_Distance_constraint_stats_list.Viol_max 0.920
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0662
_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 MET 0.012 0.008 14 0 "[ . 1 . 2]"
1 2 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 17 0 "[ . 1 . 2]"
1 5 ILE 0.029 0.012 18 0 "[ . 1 . 2]"
1 6 LEU 0.237 0.041 10 0 "[ . 1 . 2]"
1 8 VAL 0.012 0.005 14 0 "[ . 1 . 2]"
1 9 VAL 1.658 0.775 14 1 "[ . 1 +. 2]"
1 12 VAL 0.003 0.002 15 0 "[ . 1 . 2]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LEU 0.006 0.006 20 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 2.483 0.775 14 1 "[ . 1 +. 2]"
1 21 GLU 0.049 0.016 20 0 "[ . 1 . 2]"
1 22 LYS 0.664 0.246 2 0 "[ . 1 . 2]"
1 23 ILE 0.195 0.033 7 0 "[ . 1 . 2]"
1 24 PHE 1.281 0.373 7 0 "[ . 1 . 2]"
1 25 GLU 0.186 0.033 7 0 "[ . 1 . 2]"
1 26 ALA 0.664 0.246 2 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.530 0.041 8 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.012 0.012 19 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.302 0.066 18 0 "[ . 1 . 2]"
1 33 THR 2.560 0.588 1 1 "[+ . 1 . 2]"
1 34 ALA 0.003 0.003 1 0 "[ . 1 . 2]"
1 35 THR 0.247 0.086 17 0 "[ . 1 . 2]"
1 36 LYS 3.028 0.588 1 1 "[+ . 1 . 2]"
1 37 LYS 0.169 0.034 1 0 "[ . 1 . 2]"
1 38 LYS 0.523 0.262 8 0 "[ . 1 . 2]"
1 39 TYR 1.716 0.262 8 0 "[ . 1 . 2]"
1 40 GLU 0.024 0.008 7 0 "[ . 1 . 2]"
1 41 GLN 0.642 0.098 18 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 2.411 0.920 18 1 "[ . 1 . + 2]"
1 44 ASP 2.147 0.578 13 2 "[ . 1- + . 2]"
1 45 VAL 0.961 0.049 14 0 "[ . 1 . 2]"
1 46 ARG 2.367 0.790 14 2 "[ . 1 +- 2]"
1 47 VAL 0.137 0.018 4 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.397 0.133 14 0 "[ . 1 . 2]"
1 50 ASP 5.472 0.773 14 5 "[ * . 1 * +. - *]"
1 51 ARG 3.958 0.773 14 5 "[ * . 1 * +. - *]"
1 52 LYS 0.955 0.061 7 0 "[ . 1 . 2]"
1 53 SER 2.759 0.243 2 0 "[ . 1 . 2]"
1 54 GLY 3.967 0.243 2 0 "[ . 1 . 2]"
1 55 ASP 0.561 0.061 7 0 "[ . 1 . 2]"
1 56 PHE 0.561 0.133 14 0 "[ . 1 . 2]"
1 57 ASP 0.407 0.041 10 0 "[ . 1 . 2]"
1 58 THR 0.043 0.029 17 0 "[ . 1 . 2]"
1 59 PHE 2.240 0.790 14 2 "[ . 1 +- 2]"
1 60 ARG 0.123 0.047 14 0 "[ . 1 . 2]"
1 61 ARG 4.310 0.779 1 4 "[+ *- 1 .* 2]"
1 62 TRP 4.907 0.750 16 3 "[ *- 1 .+ 2]"
1 63 LEU 0.760 0.372 10 0 "[ . 1 . 2]"
1 64 VAL 0.240 0.055 11 0 "[ . 1 . 2]"
1 65 VAL 0.241 0.054 19 0 "[ . 1 . 2]"
1 66 ASP 0.697 0.073 13 0 "[ . 1 . 2]"
1 67 GLU 1.153 0.073 13 0 "[ . 1 . 2]"
1 68 VAL 0.002 0.002 11 0 "[ . 1 . 2]"
1 69 THR 0.680 0.052 19 0 "[ . 1 . 2]"
1 70 GLN 0.017 0.017 20 0 "[ . 1 . 2]"
1 71 PRO 1.756 0.540 17 1 "[ . 1 . + 2]"
1 72 THR 3.223 0.510 18 1 "[ . 1 . + 2]"
1 73 LYS 14.633 0.920 18 11 "[* *** * 1-** . *+*2]"
1 74 GLU 0.781 0.372 10 0 "[ . 1 . 2]"
1 75 ILE 0.091 0.022 10 0 "[ . 1 . 2]"
1 76 THR 0.138 0.055 11 0 "[ . 1 . 2]"
1 77 LEU 0.176 0.046 15 0 "[ . 1 . 2]"
1 78 GLU 0.774 0.050 20 0 "[ . 1 . 2]"
1 79 ALA 0.027 0.027 20 0 "[ . 1 . 2]"
1 80 ALA 4.672 0.764 20 1 "[ . 1 . +]"
1 81 ARG 3.681 0.329 6 0 "[ . 1 . 2]"
1 82 TYR 0.053 0.027 20 0 "[ . 1 . 2]"
1 83 GLU 0.023 0.010 20 0 "[ . 1 . 2]"
1 84 ASP 0.709 0.201 12 0 "[ . 1 . 2]"
1 85 GLU 0.416 0.201 12 0 "[ . 1 . 2]"
1 86 SER 3.165 0.243 6 0 "[ . 1 . 2]"
1 87 LEU 4.509 0.764 20 1 "[ . 1 . +]"
1 88 ASN 0.013 0.007 20 0 "[ . 1 . 2]"
1 89 LEU 0.257 0.058 13 0 "[ . 1 . 2]"
1 90 GLY 0.725 0.364 16 0 "[ . 1 . 2]"
1 91 ASP 0.882 0.364 16 0 "[ . 1 . 2]"
1 92 TYR 0.345 0.024 12 0 "[ . 1 . 2]"
1 93 VAL 1.940 0.662 16 1 "[ . 1 .+ 2]"
1 94 GLU 2.496 0.779 1 1 "[+ . 1 . 2]"
1 95 ASP 0.047 0.014 15 0 "[ . 1 . 2]"
1 96 GLN 0.003 0.002 19 0 "[ . 1 . 2]"
1 97 ILE 0.023 0.012 13 0 "[ . 1 . 2]"
1 98 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 SER 0.204 0.035 5 0 "[ . 1 . 2]"
1 100 VAL 0.004 0.004 14 0 "[ . 1 . 2]"
1 101 THR 0.016 0.008 15 0 "[ . 1 . 2]"
1 102 PHE 0.032 0.007 13 0 "[ . 1 . 2]"
1 105 ILE 0.005 0.002 15 0 "[ . 1 . 2]"
1 110 ALA 0.007 0.007 13 0 "[ . 1 . 2]"
1 111 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 VAL 0.012 0.012 19 0 "[ . 1 . 2]"
1 114 ILE 0.017 0.006 9 0 "[ . 1 . 2]"
1 118 VAL 0.014 0.006 9 0 "[ . 1 . 2]"
1 119 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 . 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 5 ILE MG 1 9 VAL HA 0.000 . 6.000 5.549 5.267 5.805 . 0 0 "[ . 1 . 2]" 1
2 1 5 ILE MG 1 9 VAL MG2 0.000 . 5.000 2.710 2.527 2.959 . 0 0 "[ . 1 . 2]" 1
3 1 5 ILE MG 1 9 VAL MG1 0.000 . 5.000 4.817 4.672 4.987 . 0 0 "[ . 1 . 2]" 1
4 1 5 ILE MG 1 24 PHE QE 0.000 . 5.000 2.875 1.957 3.297 . 0 0 "[ . 1 . 2]" 1
5 1 5 ILE MG 1 31 LEU QD 0.000 . 5.000 4.080 3.710 4.470 . 0 0 "[ . 1 . 2]" 1
6 1 5 ILE MG 1 6 LEU HA 0.000 . 4.000 3.492 3.295 3.708 . 0 0 "[ . 1 . 2]" 1
7 1 6 LEU QD 1 51 ARG HA 0.000 . 4.000 2.008 1.780 2.668 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL MG2 1 24 PHE HZ 0.000 . 4.000 3.024 2.430 3.375 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL MG1 1 20 ARG HD3 0.000 . 4.000 3.598 2.575 4.775 0.775 14 1 "[ . 1 +. 2]" 1
10 1 9 VAL H 1 9 VAL HB 0.000 . 3.000 2.554 2.455 2.599 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL H 1 9 VAL MG2 0.000 . 3.000 2.193 2.003 2.437 . 0 0 "[ . 1 . 2]" 1
12 1 12 VAL H 1 12 VAL HB 0.000 . 3.000 2.521 2.454 2.582 . 0 0 "[ . 1 . 2]" 1
13 1 12 VAL H 1 12 VAL MG2 0.000 . 3.000 2.254 2.064 2.397 . 0 0 "[ . 1 . 2]" 1
14 1 12 VAL HB 1 13 SER H 0.000 . 3.000 2.821 2.549 2.999 . 0 0 "[ . 1 . 2]" 1
15 1 13 SER H 1 23 ILE MD 0.000 . 5.000 2.502 2.130 2.750 . 0 0 "[ . 1 . 2]" 1
16 1 14 ASN HA 1 15 GLU H 0.000 . 6.000 3.544 3.540 3.556 . 0 0 "[ . 1 . 2]" 1
17 1 15 GLU H 1 17 ALA H 0.000 . 6.000 3.616 3.527 3.791 . 0 0 "[ . 1 . 2]" 1
18 1 16 LYS HA 1 17 ALA H 0.000 . 6.000 3.279 3.093 3.460 . 0 0 "[ . 1 . 2]" 1
19 1 14 ASN HA 1 16 LYS H 0.000 . 6.000 4.676 4.388 4.878 . 0 0 "[ . 1 . 2]" 1
20 1 15 GLU HA 1 16 LYS H 0.000 . 4.000 3.571 3.543 3.599 . 0 0 "[ . 1 . 2]" 1
21 1 16 LYS H 1 17 ALA H 0.000 . 3.000 2.360 2.079 2.478 . 0 0 "[ . 1 . 2]" 1
22 1 16 LYS H 1 18 LEU QD 0.000 . 6.000 4.140 3.081 5.004 . 0 0 "[ . 1 . 2]" 1
23 1 16 LYS H 1 18 LEU H 0.000 . 6.000 3.613 3.246 3.979 . 0 0 "[ . 1 . 2]" 1
24 1 14 ASN HA 1 17 ALA H 0.000 . 6.000 3.465 3.185 3.756 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLU HA 1 17 ALA H 0.000 . 6.000 4.118 3.922 4.426 . 0 0 "[ . 1 . 2]" 1
26 1 17 ALA H 1 18 LEU QD 0.000 . 6.000 4.333 3.310 4.996 . 0 0 "[ . 1 . 2]" 1
27 1 17 ALA H 1 18 LEU H 0.000 . 3.000 2.793 2.580 2.950 . 0 0 "[ . 1 . 2]" 1
28 1 18 LEU HA 1 19 PRO HD2 0.000 . 3.000 2.582 2.471 2.716 . 0 0 "[ . 1 . 2]" 1
29 1 18 LEU HA 1 19 PRO HD3 0.000 . 3.000 2.448 2.359 2.543 . 0 0 "[ . 1 . 2]" 1
30 1 19 PRO HA 1 20 ARG HA 0.000 . 6.000 4.428 4.403 4.454 . 0 0 "[ . 1 . 2]" 1
31 1 19 PRO QD 1 20 ARG HA 0.000 . 6.000 5.797 5.729 5.861 . 0 0 "[ . 1 . 2]" 1
32 1 20 ARG H 1 20 ARG HA 0.000 . 3.000 2.823 2.801 2.854 . 0 0 "[ . 1 . 2]" 1
33 1 20 ARG HA 1 21 GLU H 0.000 . 5.000 3.555 3.533 3.574 . 0 0 "[ . 1 . 2]" 1
34 1 20 ARG HA 1 22 LYS H 0.000 . 5.000 4.603 4.265 4.843 . 0 0 "[ . 1 . 2]" 1
35 1 20 ARG HA 1 23 ILE MD 0.000 . 3.000 1.788 1.734 1.889 . 0 0 "[ . 1 . 2]" 1
36 1 20 ARG HA 1 23 ILE QG 0.000 . 6.000 3.284 3.046 3.864 . 0 0 "[ . 1 . 2]" 1
37 1 20 ARG HA 1 23 ILE H 0.000 . 5.000 3.439 3.245 3.651 . 0 0 "[ . 1 . 2]" 1
38 1 20 ARG HA 1 24 PHE QE 0.000 . 6.000 4.023 3.841 4.254 . 0 0 "[ . 1 . 2]" 1
39 1 20 ARG QB 1 24 PHE HZ 0.000 . 4.000 3.544 3.106 4.011 0.011 10 0 "[ . 1 . 2]" 1
40 1 20 ARG HD3 1 24 PHE HZ 0.000 . 6.000 4.621 3.495 6.373 0.373 7 0 "[ . 1 . 2]" 1
41 1 20 ARG HG2 1 24 PHE HZ 0.000 . 6.000 5.451 4.876 5.922 . 0 0 "[ . 1 . 2]" 1
42 1 19 PRO HA 1 20 ARG H 0.000 . 3.000 2.216 2.194 2.251 . 0 0 "[ . 1 . 2]" 1
43 1 19 PRO HB2 1 20 ARG H 0.000 . 4.000 3.386 3.195 3.560 . 0 0 "[ . 1 . 2]" 1
44 1 19 PRO HG3 1 20 ARG H 0.000 . 6.000 5.591 5.483 5.681 . 0 0 "[ . 1 . 2]" 1
45 1 19 PRO HG2 1 20 ARG H 0.000 . 5.000 4.884 4.788 4.955 . 0 0 "[ . 1 . 2]" 1
46 1 20 ARG H 1 20 ARG HD3 0.000 . 6.000 4.632 4.362 4.739 . 0 0 "[ . 1 . 2]" 1
47 1 20 ARG H 1 20 ARG HG2 0.000 . 4.000 3.173 3.075 3.338 . 0 0 "[ . 1 . 2]" 1
48 1 20 ARG H 1 21 GLU H 0.000 . 4.000 2.791 2.671 2.898 . 0 0 "[ . 1 . 2]" 1
49 1 20 ARG H 1 22 LYS H 0.000 . 5.000 4.595 4.423 4.788 . 0 0 "[ . 1 . 2]" 1
50 1 20 ARG QB 1 21 GLU HA 0.000 . 6.000 3.890 3.848 3.926 . 0 0 "[ . 1 . 2]" 1
51 1 21 GLU HA 1 24 PHE HB3 0.000 . 6.000 4.471 4.118 4.702 . 0 0 "[ . 1 . 2]" 1
52 1 21 GLU HA 1 24 PHE QD 0.000 . 6.000 1.881 1.858 1.953 . 0 0 "[ . 1 . 2]" 1
53 1 21 GLU HA 1 24 PHE QE 0.000 . 6.000 3.791 3.705 3.916 . 0 0 "[ . 1 . 2]" 1
54 1 21 GLU HA 1 24 PHE HZ 0.000 . 6.000 5.984 5.937 6.016 0.016 20 0 "[ . 1 . 2]" 1
55 1 21 GLU H 1 21 GLU HB2 0.000 . 3.000 2.444 2.399 2.518 . 0 0 "[ . 1 . 2]" 1
56 1 21 GLU HB2 1 23 ILE H 0.000 . 6.000 5.557 4.979 5.917 . 0 0 "[ . 1 . 2]" 1
57 1 19 PRO HA 1 21 GLU H 0.000 . 5.000 4.044 3.957 4.145 . 0 0 "[ . 1 . 2]" 1
58 1 20 ARG QB 1 21 GLU H 0.000 . 6.000 2.562 2.403 2.689 . 0 0 "[ . 1 . 2]" 1
59 1 20 ARG HG2 1 21 GLU H 0.000 . 6.000 4.921 4.871 4.979 . 0 0 "[ . 1 . 2]" 1
60 1 21 GLU H 1 22 LYS HA 0.000 . 6.000 5.524 5.439 5.621 . 0 0 "[ . 1 . 2]" 1
61 1 21 GLU H 1 22 LYS H 0.000 . 4.000 2.942 2.834 3.084 . 0 0 "[ . 1 . 2]" 1
62 1 21 GLU H 1 23 ILE H 0.000 . 6.000 4.350 4.217 4.613 . 0 0 "[ . 1 . 2]" 1
63 1 21 GLU H 1 24 PHE H 0.000 . 6.000 4.890 4.732 5.026 . 0 0 "[ . 1 . 2]" 1
64 1 22 LYS HA 1 25 GLU QG 0.000 . 5.000 3.522 2.427 4.877 . 0 0 "[ . 1 . 2]" 1
65 1 22 LYS H 1 22 LYS HD3 0.000 . 6.000 4.931 4.526 5.170 . 0 0 "[ . 1 . 2]" 1
66 1 19 PRO HA 1 22 LYS H 0.000 . 6.000 4.732 4.591 4.906 . 0 0 "[ . 1 . 2]" 1
67 1 20 ARG QB 1 22 LYS H 0.000 . 6.000 4.932 4.752 5.033 . 0 0 "[ . 1 . 2]" 1
68 1 21 GLU HA 1 22 LYS H 0.000 . 6.000 3.582 3.565 3.591 . 0 0 "[ . 1 . 2]" 1
69 1 21 GLU HG3 1 22 LYS H 0.000 . 6.000 4.435 3.531 4.838 . 0 0 "[ . 1 . 2]" 1
70 1 22 LYS H 1 23 ILE HA 0.000 . 6.000 5.496 5.389 5.582 . 0 0 "[ . 1 . 2]" 1
71 1 22 LYS H 1 23 ILE H 0.000 . 4.000 2.898 2.752 3.016 . 0 0 "[ . 1 . 2]" 1
72 1 22 LYS H 1 25 GLU H 0.000 . 6.000 4.864 4.817 4.889 . 0 0 "[ . 1 . 2]" 1
73 1 23 ILE HA 1 25 GLU H 0.000 . 6.000 4.116 4.036 4.229 . 0 0 "[ . 1 . 2]" 1
74 1 20 ARG HA 1 23 ILE HB 0.000 . 4.000 2.838 2.487 3.026 . 0 0 "[ . 1 . 2]" 1
75 1 23 ILE HB 1 26 ALA MB 0.000 . 6.000 5.272 5.100 5.471 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL HA 1 23 ILE MD 0.000 . 4.000 3.141 2.537 3.718 . 0 0 "[ . 1 . 2]" 1
77 1 23 ILE MD 1 24 PHE QE 0.000 . 6.000 4.614 4.333 5.037 . 0 0 "[ . 1 . 2]" 1
78 1 23 ILE MD 1 25 GLU H 0.000 . 6.000 6.009 5.991 6.033 0.033 7 0 "[ . 1 . 2]" 1
79 1 9 VAL HA 1 23 ILE MG 0.000 . 3.000 2.199 1.856 2.592 . 0 0 "[ . 1 . 2]" 1
80 1 9 VAL MG1 1 23 ILE MG 0.000 . 5.000 2.079 1.800 2.744 . 0 0 "[ . 1 . 2]" 1
81 1 23 ILE MG 1 24 PHE HA 0.000 . 6.000 3.509 3.316 3.640 . 0 0 "[ . 1 . 2]" 1
82 1 23 ILE MG 1 25 GLU H 0.000 . 6.000 4.749 4.631 4.835 . 0 0 "[ . 1 . 2]" 1
83 1 21 GLU HA 1 23 ILE H 0.000 . 6.000 4.583 4.451 4.802 . 0 0 "[ . 1 . 2]" 1
84 1 22 LYS HA 1 23 ILE H 0.000 . 5.000 3.577 3.566 3.588 . 0 0 "[ . 1 . 2]" 1
85 1 22 LYS QG 1 23 ILE H 0.000 . 6.000 3.517 3.302 3.688 . 0 0 "[ . 1 . 2]" 1
86 1 23 ILE H 1 23 ILE HB 0.000 . 4.000 2.594 2.513 2.644 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 24 PHE HA 0.000 . 6.000 5.501 5.410 5.570 . 0 0 "[ . 1 . 2]" 1
88 1 24 PHE HA 1 27 LEU QD 0.000 . 6.000 2.453 1.942 3.147 . 0 0 "[ . 1 . 2]" 1
89 1 24 PHE HA 1 28 GLU H 0.000 . 6.000 3.842 3.783 3.905 . 0 0 "[ . 1 . 2]" 1
90 1 21 GLU HA 1 24 PHE H 0.000 . 4.000 3.576 3.473 3.678 . 0 0 "[ . 1 . 2]" 1
91 1 22 LYS H 1 24 PHE H 0.000 . 6.000 4.455 4.250 4.563 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE MG 1 24 PHE H 0.000 . 6.000 3.307 3.145 3.380 . 0 0 "[ . 1 . 2]" 1
93 1 23 ILE H 1 24 PHE H 0.000 . 3.000 2.908 2.787 3.003 0.003 8 0 "[ . 1 . 2]" 1
94 1 24 PHE H 1 24 PHE QE 0.000 . 6.000 4.310 4.149 4.459 . 0 0 "[ . 1 . 2]" 1
95 1 24 PHE H 1 24 PHE HZ 0.000 . 6.000 5.656 5.481 5.892 . 0 0 "[ . 1 . 2]" 1
96 1 24 PHE H 1 27 LEU H 0.000 . 6.000 4.809 4.652 4.912 . 0 0 "[ . 1 . 2]" 1
97 1 6 LEU QD 1 24 PHE HZ 0.000 . 3.000 2.537 1.898 2.979 . 0 0 "[ . 1 . 2]" 1
98 1 24 PHE HZ 1 27 LEU QD 0.000 . 6.000 5.047 4.820 5.399 . 0 0 "[ . 1 . 2]" 1
99 1 24 PHE HZ 1 51 ARG HA 0.000 . 4.000 3.567 3.030 3.930 . 0 0 "[ . 1 . 2]" 1
100 1 24 PHE QD 1 25 GLU HA 0.000 . 6.000 5.883 5.845 5.896 . 0 0 "[ . 1 . 2]" 1
101 1 25 GLU HA 1 26 ALA H 0.000 . 6.000 3.566 3.547 3.578 . 0 0 "[ . 1 . 2]" 1
102 1 24 PHE HA 1 25 GLU H 0.000 . 4.000 3.533 3.519 3.547 . 0 0 "[ . 1 . 2]" 1
103 1 24 PHE HB3 1 25 GLU H 0.000 . 6.000 3.697 3.574 3.765 . 0 0 "[ . 1 . 2]" 1
104 1 24 PHE H 1 25 GLU H 0.000 . 6.000 2.774 2.744 2.798 . 0 0 "[ . 1 . 2]" 1
105 1 25 GLU H 1 26 ALA H 0.000 . 6.000 2.738 2.660 2.855 . 0 0 "[ . 1 . 2]" 1
106 1 25 GLU H 1 27 LEU H 0.000 . 6.000 4.151 3.829 4.312 . 0 0 "[ . 1 . 2]" 1
107 1 22 LYS HE3 1 26 ALA MB 0.000 . 6.000 5.383 4.817 6.246 0.246 2 0 "[ . 1 . 2]" 1
108 1 23 ILE HA 1 26 ALA H 0.000 . 4.000 3.356 3.215 3.499 . 0 0 "[ . 1 . 2]" 1
109 1 24 PHE H 1 26 ALA H 0.000 . 6.000 4.418 4.317 4.551 . 0 0 "[ . 1 . 2]" 1
110 1 25 GLU HB3 1 26 ALA H 0.000 . 6.000 3.074 2.312 3.631 . 0 0 "[ . 1 . 2]" 1
111 1 25 GLU QG 1 26 ALA H 0.000 . 6.000 3.850 3.577 4.058 . 0 0 "[ . 1 . 2]" 1
112 1 26 ALA H 1 27 LEU HA 0.000 . 6.000 5.303 5.176 5.387 . 0 0 "[ . 1 . 2]" 1
113 1 26 ALA H 1 28 GLU H 0.000 . 6.000 4.210 3.998 4.335 . 0 0 "[ . 1 . 2]" 1
114 1 27 LEU HA 1 31 LEU QD 0.000 . 6.000 3.461 2.997 3.915 . 0 0 "[ . 1 . 2]" 1
115 1 27 LEU HA 1 31 LEU H 0.000 . 6.000 4.142 3.914 4.509 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL HA 1 27 LEU QD 0.000 . 6.000 3.535 2.903 4.217 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL MG2 1 27 LEU QD 0.000 . 4.000 2.022 1.674 2.606 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL MG1 1 27 LEU QD 0.000 . 6.000 3.292 2.702 3.898 . 0 0 "[ . 1 . 2]" 1
119 1 24 PHE QE 1 27 LEU QD 0.000 . 6.000 3.569 3.370 4.026 . 0 0 "[ . 1 . 2]" 1
120 1 24 PHE H 1 27 LEU QD 0.000 . 6.000 4.078 3.511 5.040 . 0 0 "[ . 1 . 2]" 1
121 1 26 ALA H 1 27 LEU QD 0.000 . 6.000 4.557 3.368 5.326 . 0 0 "[ . 1 . 2]" 1
122 1 27 LEU QD 1 31 LEU QD 0.000 . 5.000 3.234 2.036 3.627 . 0 0 "[ . 1 . 2]" 1
123 1 24 PHE HA 1 27 LEU H 0.000 . 6.000 3.327 3.161 3.487 . 0 0 "[ . 1 . 2]" 1
124 1 26 ALA H 1 27 LEU H 0.000 . 4.000 2.651 2.499 2.760 . 0 0 "[ . 1 . 2]" 1
125 1 27 LEU H 1 28 GLU H 0.000 . 4.000 2.788 2.619 2.933 . 0 0 "[ . 1 . 2]" 1
126 1 27 LEU H 1 29 SER QB 0.000 . 6.000 5.095 4.794 5.574 . 0 0 "[ . 1 . 2]" 1
127 1 27 LEU H 1 49 ILE MD 0.000 . 6.000 4.211 3.577 5.198 . 0 0 "[ . 1 . 2]" 1
128 1 27 LEU HA 1 28 GLU HA 0.000 . 5.000 4.828 4.779 4.874 . 0 0 "[ . 1 . 2]" 1
129 1 28 GLU HA 1 31 LEU HB3 0.000 . 6.000 4.209 3.799 4.459 . 0 0 "[ . 1 . 2]" 1
130 1 28 GLU HA 1 47 VAL HA 0.000 . 6.000 5.518 5.115 5.848 . 0 0 "[ . 1 . 2]" 1
131 1 25 GLU HA 1 28 GLU QB 0.000 . 5.000 2.857 2.544 3.047 . 0 0 "[ . 1 . 2]" 1
132 1 27 LEU QD 1 28 GLU QG 0.000 . 6.000 4.383 4.111 4.542 . 0 0 "[ . 1 . 2]" 1
133 1 28 GLU QG 1 47 VAL HA 0.000 . 6.000 4.922 4.489 5.458 . 0 0 "[ . 1 . 2]" 1
134 1 24 PHE H 1 28 GLU H 0.000 . 6.000 6.019 5.994 6.041 0.041 8 0 "[ . 1 . 2]" 1
135 1 25 GLU HA 1 28 GLU H 0.000 . 5.000 3.651 3.499 3.768 . 0 0 "[ . 1 . 2]" 1
136 1 27 LEU HB3 1 28 GLU H 0.000 . 6.000 3.408 2.342 3.705 . 0 0 "[ . 1 . 2]" 1
137 1 28 GLU H 1 29 SER HA 0.000 . 6.000 5.387 5.243 5.485 . 0 0 "[ . 1 . 2]" 1
138 1 28 GLU H 1 29 SER QB 0.000 . 5.000 4.730 4.489 4.931 . 0 0 "[ . 1 . 2]" 1
139 1 28 GLU H 1 29 SER H 0.000 . 4.000 2.749 2.569 2.876 . 0 0 "[ . 1 . 2]" 1
140 1 28 GLU H 1 31 LEU QD 0.000 . 6.000 3.912 3.466 4.541 . 0 0 "[ . 1 . 2]" 1
141 1 28 GLU H 1 49 ILE HB 0.000 . 6.000 5.658 5.018 5.996 . 0 0 "[ . 1 . 2]" 1
142 1 28 GLU H 1 49 ILE MD 0.000 . 6.000 2.911 2.165 3.972 . 0 0 "[ . 1 . 2]" 1
143 1 29 SER HA 1 32 ALA HA 0.000 . 6.000 5.691 5.501 5.893 . 0 0 "[ . 1 . 2]" 1
144 1 29 SER HA 1 32 ALA MB 0.000 . 4.000 2.826 2.630 3.110 . 0 0 "[ . 1 . 2]" 1
145 1 26 ALA HA 1 29 SER H 0.000 . 4.000 3.403 3.296 3.532 . 0 0 "[ . 1 . 2]" 1
146 1 27 LEU H 1 29 SER H 0.000 . 5.000 4.189 3.972 4.314 . 0 0 "[ . 1 . 2]" 1
147 1 28 GLU HA 1 29 SER H 0.000 . 5.000 3.560 3.526 3.577 . 0 0 "[ . 1 . 2]" 1
148 1 28 GLU QB 1 29 SER H 0.000 . 4.000 2.547 2.407 2.745 . 0 0 "[ . 1 . 2]" 1
149 1 29 SER H 1 29 SER HA 0.000 . 3.000 2.854 2.828 2.895 . 0 0 "[ . 1 . 2]" 1
150 1 29 SER H 1 32 ALA MB 0.000 . 6.000 4.727 4.578 5.055 . 0 0 "[ . 1 . 2]" 1
151 1 30 ALA HA 1 31 LEU QD 0.000 . 6.000 4.669 4.039 5.349 . 0 0 "[ . 1 . 2]" 1
152 1 30 ALA HA 1 34 ALA H 0.000 . 6.000 3.857 3.394 4.134 . 0 0 "[ . 1 . 2]" 1
153 1 27 LEU HA 1 30 ALA H 0.000 . 4.000 3.406 3.202 3.502 . 0 0 "[ . 1 . 2]" 1
154 1 29 SER HA 1 30 ALA H 0.000 . 4.000 3.540 3.520 3.578 . 0 0 "[ . 1 . 2]" 1
155 1 29 SER QB 1 30 ALA H 0.000 . 4.000 2.685 2.472 3.269 . 0 0 "[ . 1 . 2]" 1
156 1 29 SER H 1 30 ALA H 0.000 . 4.000 2.681 2.545 2.763 . 0 0 "[ . 1 . 2]" 1
157 1 30 ALA H 1 31 LEU HA 0.000 . 6.000 5.252 5.163 5.366 . 0 0 "[ . 1 . 2]" 1
158 1 30 ALA H 1 31 LEU H 0.000 . 5.000 2.580 2.469 2.725 . 0 0 "[ . 1 . 2]" 1
159 1 30 ALA H 1 32 ALA MB 0.000 . 6.000 4.874 4.752 5.117 . 0 0 "[ . 1 . 2]" 1
160 1 30 ALA H 1 32 ALA H 0.000 . 6.000 4.178 3.978 4.265 . 0 0 "[ . 1 . 2]" 1
161 1 31 LEU HA 1 31 LEU QD 0.000 . 4.000 2.038 1.759 2.454 . 0 0 "[ . 1 . 2]" 1
162 1 28 GLU HA 1 31 LEU HB2 0.000 . 6.000 2.606 2.367 2.815 . 0 0 "[ . 1 . 2]" 1
163 1 31 LEU HB2 1 47 VAL HB 0.000 . 6.000 3.027 2.452 3.748 . 0 0 "[ . 1 . 2]" 1
164 1 28 GLU HA 1 31 LEU QD 0.000 . 4.000 2.696 1.952 3.561 . 0 0 "[ . 1 . 2]" 1
165 1 31 LEU QD 1 47 VAL HB 0.000 . 5.000 3.667 2.881 4.450 . 0 0 "[ . 1 . 2]" 1
166 1 31 LEU QD 1 56 PHE QB 0.000 . 5.000 3.693 2.756 4.269 . 0 0 "[ . 1 . 2]" 1
167 1 31 LEU QD 1 56 PHE QD 0.000 . 4.000 3.023 2.074 3.610 . 0 0 "[ . 1 . 2]" 1
168 1 31 LEU QD 1 56 PHE QE 0.000 . 4.000 2.362 1.757 2.962 . 0 0 "[ . 1 . 2]" 1
169 1 31 LEU QD 1 56 PHE HZ 0.000 . 4.000 2.297 1.797 3.401 . 0 0 "[ . 1 . 2]" 1
170 1 31 LEU MD1 1 31 LEU MD2 0.000 . 3.000 2.022 1.866 2.079 . 0 0 "[ . 1 . 2]" 1
171 1 28 GLU HA 1 31 LEU H 0.000 . 4.000 3.368 3.187 3.499 . 0 0 "[ . 1 . 2]" 1
172 1 29 SER HA 1 31 LEU H 0.000 . 5.000 4.547 4.292 4.711 . 0 0 "[ . 1 . 2]" 1
173 1 29 SER QB 1 31 LEU H 0.000 . 5.000 4.823 4.679 4.964 . 0 0 "[ . 1 . 2]" 1
174 1 30 ALA HA 1 31 LEU H 0.000 . 5.000 3.557 3.513 3.574 . 0 0 "[ . 1 . 2]" 1
175 1 31 LEU H 1 32 ALA H 0.000 . 4.000 2.701 2.596 2.811 . 0 0 "[ . 1 . 2]" 1
176 1 32 ALA HA 1 35 THR HB 0.000 . 5.000 2.360 2.095 2.663 . 0 0 "[ . 1 . 2]" 1
177 1 32 ALA HA 1 35 THR MG 0.000 . 5.000 3.693 3.380 4.016 . 0 0 "[ . 1 . 2]" 1
178 1 32 ALA HA 1 45 VAL MG1 0.000 . 6.000 2.590 2.322 2.838 . 0 0 "[ . 1 . 2]" 1
179 1 28 GLU HA 1 32 ALA MB 0.000 . 6.000 4.452 4.181 4.682 . 0 0 "[ . 1 . 2]" 1
180 1 32 ALA MB 1 36 LYS QE 0.000 . 5.000 4.038 1.880 4.640 . 0 0 "[ . 1 . 2]" 1
181 1 32 ALA MB 1 45 VAL HA 0.000 . 6.000 4.520 4.320 4.761 . 0 0 "[ . 1 . 2]" 1
182 1 32 ALA MB 1 45 VAL MG1 0.000 . 4.000 2.883 2.604 3.182 . 0 0 "[ . 1 . 2]" 1
183 1 32 ALA MB 1 46 ARG HA 0.000 . 5.000 2.610 2.053 3.092 . 0 0 "[ . 1 . 2]" 1
184 1 32 ALA MB 1 47 VAL HA 0.000 . 6.000 4.451 3.994 5.004 . 0 0 "[ . 1 . 2]" 1
185 1 28 GLU HA 1 32 ALA H 0.000 . 5.000 3.791 3.527 4.047 . 0 0 "[ . 1 . 2]" 1
186 1 29 SER HA 1 32 ALA H 0.000 . 4.000 3.701 3.485 3.926 . 0 0 "[ . 1 . 2]" 1
187 1 31 LEU HA 1 32 ALA H 0.000 . 4.000 3.572 3.549 3.584 . 0 0 "[ . 1 . 2]" 1
188 1 31 LEU HB3 1 32 ALA H 0.000 . 6.000 3.345 3.086 3.666 . 0 0 "[ . 1 . 2]" 1
189 1 31 LEU QD 1 32 ALA H 0.000 . 5.000 3.796 3.623 4.022 . 0 0 "[ . 1 . 2]" 1
190 1 32 ALA H 1 32 ALA HA 0.000 . 3.000 2.865 2.832 2.912 . 0 0 "[ . 1 . 2]" 1
191 1 32 ALA H 1 36 LYS H 0.000 . 6.000 6.001 5.882 6.066 0.066 18 0 "[ . 1 . 2]" 1
192 1 32 ALA H 1 45 VAL MG1 0.000 . 5.000 4.878 4.657 5.021 0.021 5 0 "[ . 1 . 2]" 1
193 1 32 ALA H 1 47 VAL QG 0.000 . 4.000 2.342 1.827 2.851 . 0 0 "[ . 1 . 2]" 1
194 1 33 THR HA 1 33 THR MG 0.000 . 3.000 2.291 2.211 2.387 . 0 0 "[ . 1 . 2]" 1
195 1 33 THR HA 1 36 LYS QB 0.000 . 5.000 3.800 3.452 4.156 . 0 0 "[ . 1 . 2]" 1
196 1 33 THR HA 1 36 LYS QE 0.000 . 5.000 3.173 1.952 3.789 . 0 0 "[ . 1 . 2]" 1
197 1 33 THR HA 1 36 LYS QG 0.000 . 5.000 3.455 2.596 4.121 . 0 0 "[ . 1 . 2]" 1
198 1 33 THR HA 1 45 VAL MG1 0.000 . 6.000 5.960 5.746 6.023 0.023 4 0 "[ . 1 . 2]" 1
199 1 30 ALA HA 1 33 THR HB 0.000 . 5.000 2.741 2.263 2.945 . 0 0 "[ . 1 . 2]" 1
200 1 33 THR HB 1 34 ALA MB 0.000 . 5.000 3.846 3.765 3.932 . 0 0 "[ . 1 . 2]" 1
201 1 30 ALA HA 1 33 THR MG 0.000 . 5.000 4.072 3.701 4.293 . 0 0 "[ . 1 . 2]" 1
202 1 30 ALA HA 1 33 THR H 0.000 . 4.000 3.661 3.524 3.763 . 0 0 "[ . 1 . 2]" 1
203 1 31 LEU HA 1 33 THR H 0.000 . 6.000 4.654 4.394 4.957 . 0 0 "[ . 1 . 2]" 1
204 1 31 LEU H 1 33 THR H 0.000 . 6.000 4.162 3.919 4.410 . 0 0 "[ . 1 . 2]" 1
205 1 32 ALA MB 1 33 THR H 0.000 . 6.000 2.503 2.239 2.711 . 0 0 "[ . 1 . 2]" 1
206 1 32 ALA H 1 33 THR H 0.000 . 4.000 2.714 2.566 2.827 . 0 0 "[ . 1 . 2]" 1
207 1 33 THR H 1 33 THR HB 0.000 . 3.000 2.613 2.509 2.715 . 0 0 "[ . 1 . 2]" 1
208 1 33 THR H 1 34 ALA H 0.000 . 3.000 2.758 2.594 2.917 . 0 0 "[ . 1 . 2]" 1
209 1 33 THR H 1 47 VAL QG 0.000 . 6.000 4.234 3.818 4.569 . 0 0 "[ . 1 . 2]" 1
210 1 31 LEU HA 1 34 ALA H 0.000 . 4.000 3.625 3.430 3.944 . 0 0 "[ . 1 . 2]" 1
211 1 32 ALA H 1 34 ALA H 0.000 . 6.000 4.168 3.858 4.349 . 0 0 "[ . 1 . 2]" 1
212 1 33 THR HB 1 34 ALA H 0.000 . 4.000 2.520 2.398 2.642 . 0 0 "[ . 1 . 2]" 1
213 1 33 THR MG 1 34 ALA H 0.000 . 4.000 3.524 3.400 3.612 . 0 0 "[ . 1 . 2]" 1
214 1 34 ALA H 1 35 THR HB 0.000 . 5.000 4.746 4.586 4.847 . 0 0 "[ . 1 . 2]" 1
215 1 34 ALA H 1 36 LYS QB 0.000 . 6.000 5.731 5.241 6.003 0.003 1 0 "[ . 1 . 2]" 1
216 1 34 ALA H 1 36 LYS QD 0.000 . 5.000 4.353 3.987 4.585 . 0 0 "[ . 1 . 2]" 1
217 1 34 ALA H 1 37 LYS H 0.000 . 6.000 4.863 4.608 5.075 . 0 0 "[ . 1 . 2]" 1
218 1 35 THR HA 1 35 THR MG 0.000 . 3.000 2.359 2.209 2.474 . 0 0 "[ . 1 . 2]" 1
219 1 35 THR HA 1 45 VAL MG1 0.000 . 6.000 4.796 4.490 5.022 . 0 0 "[ . 1 . 2]" 1
220 1 35 THR HA 1 47 VAL QG 0.000 . 6.000 5.225 4.948 5.440 . 0 0 "[ . 1 . 2]" 1
221 1 32 ALA MB 1 35 THR HB 0.000 . 6.000 3.883 3.658 4.137 . 0 0 "[ . 1 . 2]" 1
222 1 35 THR HB 1 36 LYS QG 0.000 . 6.000 4.046 2.748 5.060 . 0 0 "[ . 1 . 2]" 1
223 1 35 THR HB 1 45 VAL MG1 0.000 . 4.000 2.499 2.178 2.875 . 0 0 "[ . 1 . 2]" 1
224 1 35 THR HB 1 58 THR MG 0.000 . 6.000 3.048 2.650 3.350 . 0 0 "[ . 1 . 2]" 1
225 1 35 THR MG 1 39 TYR HB2 0.000 . 6.000 5.639 5.147 6.086 0.086 17 0 "[ . 1 . 2]" 1
226 1 35 THR MG 1 39 TYR QD 0.000 . 5.000 3.566 3.016 4.033 . 0 0 "[ . 1 . 2]" 1
227 1 35 THR MG 1 39 TYR QE 0.000 . 3.000 2.230 1.842 2.554 . 0 0 "[ . 1 . 2]" 1
228 1 35 THR MG 1 39 TYR H 0.000 . 6.000 4.741 4.480 5.023 . 0 0 "[ . 1 . 2]" 1
229 1 35 THR MG 1 43 ILE MD 0.000 . 4.000 3.795 3.077 3.999 . 0 0 "[ . 1 . 2]" 1
230 1 35 THR MG 1 47 VAL HA 0.000 . 6.000 5.960 5.805 6.018 0.018 4 0 "[ . 1 . 2]" 1
231 1 35 THR MG 1 47 VAL QG 0.000 . 6.000 3.519 3.333 3.798 . 0 0 "[ . 1 . 2]" 1
232 1 35 THR MG 1 58 THR HA 0.000 . 5.000 4.620 4.381 5.029 0.029 17 0 "[ . 1 . 2]" 1
233 1 35 THR MG 1 58 THR HB 0.000 . 6.000 3.544 2.998 4.260 . 0 0 "[ . 1 . 2]" 1
234 1 32 ALA HA 1 35 THR H 0.000 . 4.000 3.306 3.047 3.512 . 0 0 "[ . 1 . 2]" 1
235 1 33 THR H 1 35 THR H 0.000 . 6.000 3.976 3.828 4.241 . 0 0 "[ . 1 . 2]" 1
236 1 35 THR H 1 35 THR HB 0.000 . 3.000 2.533 2.368 2.651 . 0 0 "[ . 1 . 2]" 1
237 1 35 THR H 1 36 LYS QB 0.000 . 5.000 4.875 4.750 5.006 0.006 3 0 "[ . 1 . 2]" 1
238 1 35 THR H 1 36 LYS QD 0.000 . 5.000 4.276 3.741 4.637 . 0 0 "[ . 1 . 2]" 1
239 1 35 THR H 1 45 VAL MG1 0.000 . 6.000 4.619 4.222 4.907 . 0 0 "[ . 1 . 2]" 1
240 1 35 THR MG 1 36 LYS HA 0.000 . 6.000 3.512 3.025 3.766 . 0 0 "[ . 1 . 2]" 1
241 1 36 LYS HA 1 36 LYS QE 0.000 . 6.000 4.538 4.150 5.107 . 0 0 "[ . 1 . 2]" 1
242 1 36 LYS HA 1 39 TYR HB2 0.000 . 6.000 3.423 2.850 4.292 . 0 0 "[ . 1 . 2]" 1
243 1 36 LYS HA 1 39 TYR QD 0.000 . 6.000 1.999 1.857 2.186 . 0 0 "[ . 1 . 2]" 1
244 1 36 LYS HA 1 39 TYR QE 0.000 . 5.000 3.443 1.907 3.947 . 0 0 "[ . 1 . 2]" 1
245 1 36 LYS HA 1 43 ILE MD 0.000 . 5.000 3.191 2.927 3.538 . 0 0 "[ . 1 . 2]" 1
246 1 36 LYS HA 1 45 VAL MG1 0.000 . 6.000 4.589 4.226 5.058 . 0 0 "[ . 1 . 2]" 1
247 1 33 THR H 1 36 LYS QD 0.000 . 6.000 3.786 3.316 4.146 . 0 0 "[ . 1 . 2]" 1
248 1 36 LYS QD 1 37 LYS H 0.000 . 6.000 3.770 3.139 4.240 . 0 0 "[ . 1 . 2]" 1
249 1 36 LYS QD 1 43 ILE MD 0.000 . 6.000 5.542 5.222 5.699 . 0 0 "[ . 1 . 2]" 1
250 1 33 THR HB 1 36 LYS QD 0.000 . 6.000 4.329 4.139 4.566 . 0 0 "[ . 1 . 2]" 1
251 1 36 LYS QD 1 37 LYS QE 0.000 . 6.000 4.527 3.814 5.527 . 0 0 "[ . 1 . 2]" 1
252 1 33 THR H 1 36 LYS HE3 0.000 . 6.000 5.652 2.906 6.588 0.588 1 1 "[+ . 1 . 2]" 1
253 1 36 LYS HE3 1 37 LYS H 0.000 . 6.000 5.920 5.395 6.017 0.017 14 0 "[ . 1 . 2]" 1
254 1 33 THR H 1 36 LYS H 0.000 . 6.000 4.901 4.797 5.014 . 0 0 "[ . 1 . 2]" 1
255 1 35 THR HB 1 36 LYS H 0.000 . 3.000 2.425 2.338 2.653 . 0 0 "[ . 1 . 2]" 1
256 1 35 THR MG 1 36 LYS H 0.000 . 6.000 3.331 2.874 3.545 . 0 0 "[ . 1 . 2]" 1
257 1 36 LYS H 1 36 LYS HE2 0.000 . 5.000 4.720 3.296 5.021 0.021 15 0 "[ . 1 . 2]" 1
258 1 36 LYS H 1 36 LYS HE3 0.000 . 5.000 4.736 3.737 4.988 . 0 0 "[ . 1 . 2]" 1
259 1 36 LYS H 1 37 LYS H 0.000 . 3.000 2.665 2.570 2.781 . 0 0 "[ . 1 . 2]" 1
260 1 36 LYS H 1 38 LYS H 0.000 . 5.000 4.350 3.978 4.500 . 0 0 "[ . 1 . 2]" 1
261 1 36 LYS H 1 45 VAL MG1 0.000 . 6.000 4.008 3.782 4.251 . 0 0 "[ . 1 . 2]" 1
262 1 33 THR MG 1 37 LYS H 0.000 . 6.000 4.694 4.074 5.148 . 0 0 "[ . 1 . 2]" 1
263 1 35 THR HB 1 37 LYS H 0.000 . 6.000 4.731 4.656 5.161 . 0 0 "[ . 1 . 2]" 1
264 1 35 THR H 1 37 LYS H 0.000 . 5.000 3.927 3.835 4.399 . 0 0 "[ . 1 . 2]" 1
265 1 36 LYS HA 1 37 LYS H 0.000 . 4.000 3.503 3.472 3.569 . 0 0 "[ . 1 . 2]" 1
266 1 36 LYS QB 1 37 LYS H 0.000 . 6.000 3.241 2.496 3.614 . 0 0 "[ . 1 . 2]" 1
267 1 36 LYS HE2 1 37 LYS H 0.000 . 6.000 5.601 5.133 6.034 0.034 1 0 "[ . 1 . 2]" 1
268 1 37 LYS H 1 37 LYS QE 0.000 . 5.000 4.174 3.684 4.417 . 0 0 "[ . 1 . 2]" 1
269 1 37 LYS H 1 38 LYS H 0.000 . 3.000 2.722 2.671 2.756 . 0 0 "[ . 1 . 2]" 1
270 1 37 LYS H 1 39 TYR QD 0.000 . 6.000 4.690 4.326 5.108 . 0 0 "[ . 1 . 2]" 1
271 1 37 LYS HA 1 38 LYS H 0.000 . 4.000 3.538 3.517 3.559 . 0 0 "[ . 1 . 2]" 1
272 1 37 LYS HG3 1 38 LYS H 0.000 . 6.000 4.552 4.212 4.990 . 0 0 "[ . 1 . 2]" 1
273 1 38 LYS H 1 38 LYS HD3 0.000 . 6.000 4.859 4.119 5.087 . 0 0 "[ . 1 . 2]" 1
274 1 38 LYS H 1 39 TYR HA 0.000 . 6.000 5.396 5.311 5.487 . 0 0 "[ . 1 . 2]" 1
275 1 38 LYS H 1 39 TYR QD 0.000 . 5.000 3.970 3.680 4.457 . 0 0 "[ . 1 . 2]" 1
276 1 38 LYS H 1 39 TYR QE 0.000 . 6.000 4.998 3.584 5.224 . 0 0 "[ . 1 . 2]" 1
277 1 38 LYS H 1 40 GLU H 0.000 . 6.000 4.000 3.724 4.209 . 0 0 "[ . 1 . 2]" 1
278 1 38 LYS HA 1 39 TYR HA 0.000 . 5.000 4.718 4.526 4.765 . 0 0 "[ . 1 . 2]" 1
279 1 39 TYR HA 1 39 TYR HB3 0.000 . 3.000 2.445 2.263 2.497 . 0 0 "[ . 1 . 2]" 1
280 1 39 TYR HA 1 39 TYR HB2 0.000 . 3.000 3.018 2.904 3.032 0.032 4 0 "[ . 1 . 2]" 1
281 1 39 TYR HA 1 39 TYR QD 0.000 . 4.000 2.834 2.568 3.465 . 0 0 "[ . 1 . 2]" 1
282 1 39 TYR HA 1 43 ILE MD 0.000 . 6.000 5.108 4.548 6.030 0.030 17 0 "[ . 1 . 2]" 1
283 1 39 TYR HB3 1 43 ILE MD 0.000 . 6.000 3.536 2.897 4.718 . 0 0 "[ . 1 . 2]" 1
284 1 39 TYR HB3 1 43 ILE QG 0.000 . 6.000 3.694 3.193 4.824 . 0 0 "[ . 1 . 2]" 1
285 1 39 TYR HB3 1 43 ILE MG 0.000 . 6.000 3.097 2.686 3.901 . 0 0 "[ . 1 . 2]" 1
286 1 39 TYR HB2 1 43 ILE MD 0.000 . 6.000 3.210 2.869 4.149 . 0 0 "[ . 1 . 2]" 1
287 1 39 TYR QD 1 43 ILE QG 0.000 . 6.000 3.031 2.413 3.511 . 0 0 "[ . 1 . 2]" 1
288 1 39 TYR HA 1 39 TYR QE 0.000 . 6.000 4.635 4.530 5.260 . 0 0 "[ . 1 . 2]" 1
289 1 36 LYS HA 1 39 TYR H 0.000 . 5.000 3.362 3.202 3.661 . 0 0 "[ . 1 . 2]" 1
290 1 37 LYS HA 1 39 TYR H 0.000 . 5.000 4.257 3.526 4.624 . 0 0 "[ . 1 . 2]" 1
291 1 38 LYS HA 1 39 TYR H 0.000 . 4.000 3.548 3.418 3.587 . 0 0 "[ . 1 . 2]" 1
292 1 38 LYS HD3 1 39 TYR H 0.000 . 6.000 5.299 4.660 6.262 0.262 8 0 "[ . 1 . 2]" 1
293 1 38 LYS QG 1 39 TYR H 0.000 . 6.000 3.828 3.400 4.137 . 0 0 "[ . 1 . 2]" 1
294 1 39 TYR H 1 39 TYR QD 0.000 . 5.000 2.279 2.039 2.606 . 0 0 "[ . 1 . 2]" 1
295 1 39 TYR H 1 39 TYR QE 0.000 . 6.000 4.080 3.754 4.276 . 0 0 "[ . 1 . 2]" 1
296 1 40 GLU HA 1 41 GLN HA 0.000 . 6.000 4.584 4.544 4.641 . 0 0 "[ . 1 . 2]" 1
297 1 38 LYS HA 1 40 GLU H 0.000 . 5.000 4.431 4.200 4.767 . 0 0 "[ . 1 . 2]" 1
298 1 39 TYR HA 1 40 GLU H 0.000 . 4.000 3.501 3.189 3.563 . 0 0 "[ . 1 . 2]" 1
299 1 39 TYR HB3 1 40 GLU H 0.000 . 5.000 3.880 3.614 4.628 . 0 0 "[ . 1 . 2]" 1
300 1 39 TYR QD 1 40 GLU H 0.000 . 4.000 3.941 3.455 4.008 0.008 7 0 "[ . 1 . 2]" 1
301 1 39 TYR H 1 40 GLU H 0.000 . 3.000 2.449 1.848 2.599 . 0 0 "[ . 1 . 2]" 1
302 1 40 GLU H 1 41 GLN H 0.000 . 4.000 2.757 2.543 4.006 0.006 18 0 "[ . 1 . 2]" 1
303 1 40 GLU H 1 42 GLU QG 0.000 . 6.000 5.647 4.944 5.884 . 0 0 "[ . 1 . 2]" 1
304 1 41 GLN HA 1 43 ILE QG 0.000 . 6.000 5.795 5.093 5.998 . 0 0 "[ . 1 . 2]" 1
305 1 39 TYR HA 1 41 GLN H 0.000 . 5.000 4.155 3.991 4.621 . 0 0 "[ . 1 . 2]" 1
306 1 39 TYR HB3 1 41 GLN H 0.000 . 5.000 3.112 2.684 4.978 . 0 0 "[ . 1 . 2]" 1
307 1 39 TYR HB2 1 41 GLN H 0.000 . 5.000 2.681 2.311 3.836 . 0 0 "[ . 1 . 2]" 1
308 1 39 TYR QD 1 41 GLN H 0.000 . 5.000 4.543 4.126 5.066 0.066 17 0 "[ . 1 . 2]" 1
309 1 39 TYR H 1 41 GLN H 0.000 . 5.000 4.366 4.048 5.098 0.098 18 0 "[ . 1 . 2]" 1
310 1 40 GLU HA 1 41 GLN H 0.000 . 4.000 3.187 3.088 3.546 . 0 0 "[ . 1 . 2]" 1
311 1 40 GLU QB 1 41 GLN H 0.000 . 6.000 3.424 1.843 3.671 . 0 0 "[ . 1 . 2]" 1
312 1 40 GLU QG 1 41 GLN H 0.000 . 6.000 4.253 2.668 4.541 . 0 0 "[ . 1 . 2]" 1
313 1 41 GLN H 1 42 GLU QG 0.000 . 6.000 4.388 2.872 4.669 . 0 0 "[ . 1 . 2]" 1
314 1 41 GLN H 1 72 THR MG 0.000 . 6.000 5.308 5.047 5.646 . 0 0 "[ . 1 . 2]" 1
315 1 42 GLU HA 1 43 ILE MG 0.000 . 6.000 4.208 3.688 4.374 . 0 0 "[ . 1 . 2]" 1
316 1 42 GLU QB 1 43 ILE QG 0.000 . 6.000 5.124 3.074 5.406 . 0 0 "[ . 1 . 2]" 1
317 1 40 GLU QB 1 42 GLU H 0.000 . 6.000 4.557 3.182 4.887 . 0 0 "[ . 1 . 2]" 1
318 1 41 GLN H 1 42 GLU H 0.000 . 4.000 2.434 1.824 2.651 . 0 0 "[ . 1 . 2]" 1
319 1 42 GLU H 1 42 GLU HA 0.000 . 3.000 2.402 2.347 2.825 . 0 0 "[ . 1 . 2]" 1
320 1 42 GLU H 1 42 GLU QG 0.000 . 4.000 2.456 2.013 2.644 . 0 0 "[ . 1 . 2]" 1
321 1 42 GLU H 1 43 ILE MG 0.000 . 5.000 3.804 3.571 4.492 . 0 0 "[ . 1 . 2]" 1
322 1 42 GLU H 1 43 ILE H 0.000 . 4.000 2.958 2.750 3.057 . 0 0 "[ . 1 . 2]" 1
323 1 42 GLU QB 1 43 ILE HA 0.000 . 5.000 4.307 4.273 4.437 . 0 0 "[ . 1 . 2]" 1
324 1 43 ILE HA 1 43 ILE MD 0.000 . 4.000 4.013 3.656 4.070 0.070 6 0 "[ . 1 . 2]" 1
325 1 43 ILE HA 1 43 ILE MG 0.000 . 3.000 2.424 2.318 2.495 . 0 0 "[ . 1 . 2]" 1
326 1 43 ILE HA 1 44 ASP QB 0.000 . 6.000 4.191 4.091 4.491 . 0 0 "[ . 1 . 2]" 1
327 1 43 ILE HA 1 44 ASP H 0.000 . 3.000 2.347 2.284 2.431 . 0 0 "[ . 1 . 2]" 1
328 1 43 ILE HA 1 73 LYS HE3 0.000 . 6.000 4.861 2.991 6.920 0.920 18 1 "[ . 1 . + 2]" 1
329 1 43 ILE HB 1 44 ASP H 0.000 . 6.000 2.754 2.545 2.953 . 0 0 "[ . 1 . 2]" 1
330 1 43 ILE HB 1 60 ARG QD 0.000 . 6.000 2.956 1.860 4.303 . 0 0 "[ . 1 . 2]" 1
331 1 39 TYR QD 1 43 ILE MD 0.000 . 5.000 2.680 2.175 3.145 . 0 0 "[ . 1 . 2]" 1
332 1 39 TYR QE 1 43 ILE MD 0.000 . 5.000 2.976 2.360 3.296 . 0 0 "[ . 1 . 2]" 1
333 1 43 ILE HB 1 43 ILE MD 0.000 . 3.000 2.095 1.955 2.258 . 0 0 "[ . 1 . 2]" 1
334 1 43 ILE MD 1 43 ILE MG 0.000 . 4.000 2.310 2.015 3.060 . 0 0 "[ . 1 . 2]" 1
335 1 43 ILE MD 1 45 VAL HA 0.000 . 6.000 4.114 3.413 4.491 . 0 0 "[ . 1 . 2]" 1
336 1 43 ILE MD 1 45 VAL MG1 0.000 . 4.000 3.714 3.486 3.815 . 0 0 "[ . 1 . 2]" 1
337 1 43 ILE MD 1 58 THR MG 0.000 . 5.000 4.791 4.619 4.993 . 0 0 "[ . 1 . 2]" 1
338 1 43 ILE MD 1 60 ARG HA 0.000 . 6.000 4.203 3.731 4.463 . 0 0 "[ . 1 . 2]" 1
339 1 43 ILE MD 1 60 ARG QD 0.000 . 5.000 2.231 1.617 3.778 . 0 0 "[ . 1 . 2]" 1
340 1 43 ILE MD 1 61 ARG H 0.000 . 6.000 4.874 4.263 5.241 . 0 0 "[ . 1 . 2]" 1
341 1 43 ILE MD 1 97 ILE HB 0.000 . 5.000 4.844 4.626 4.980 . 0 0 "[ . 1 . 2]" 1
342 1 36 LYS H 1 43 ILE QG 0.000 . 6.000 4.861 4.496 6.019 0.019 17 0 "[ . 1 . 2]" 1
343 1 39 TYR QE 1 43 ILE QG 0.000 . 5.000 4.250 3.268 4.646 . 0 0 "[ . 1 . 2]" 1
344 1 36 LYS HA 1 43 ILE MG 0.000 . 6.000 4.695 4.195 5.869 . 0 0 "[ . 1 . 2]" 1
345 1 39 TYR QD 1 43 ILE MG 0.000 . 6.000 3.836 3.583 4.124 . 0 0 "[ . 1 . 2]" 1
346 1 39 TYR QE 1 43 ILE MG 0.000 . 5.000 4.984 4.774 5.023 0.023 14 0 "[ . 1 . 2]" 1
347 1 41 GLN H 1 43 ILE MG 0.000 . 6.000 3.506 3.021 6.052 0.052 18 0 "[ . 1 . 2]" 1
348 1 43 ILE MG 1 44 ASP HA 0.000 . 6.000 5.651 5.579 5.698 . 0 0 "[ . 1 . 2]" 1
349 1 43 ILE MG 1 60 ARG QD 0.000 . 6.000 3.572 2.653 4.586 . 0 0 "[ . 1 . 2]" 1
350 1 41 GLN HA 1 43 ILE H 0.000 . 5.000 4.851 3.414 5.040 0.040 19 0 "[ . 1 . 2]" 1
351 1 43 ILE H 1 44 ASP H 0.000 . 6.000 4.593 4.399 4.640 . 0 0 "[ . 1 . 2]" 1
352 1 36 LYS HE2 1 44 ASP HA 0.000 . 5.000 4.211 2.786 5.009 0.009 15 0 "[ . 1 . 2]" 1
353 1 36 LYS HE3 1 44 ASP HA 0.000 . 5.000 3.696 2.956 5.019 0.019 13 0 "[ . 1 . 2]" 1
354 1 43 ILE HA 1 44 ASP HA 0.000 . 6.000 4.404 4.388 4.440 . 0 0 "[ . 1 . 2]" 1
355 1 43 ILE QG 1 44 ASP HA 0.000 . 6.000 4.093 3.919 4.597 . 0 0 "[ . 1 . 2]" 1
356 1 44 ASP HA 1 45 VAL HB 0.000 . 6.000 4.626 4.505 4.734 . 0 0 "[ . 1 . 2]" 1
357 1 44 ASP HA 1 45 VAL MG1 0.000 . 6.000 5.504 5.475 5.519 . 0 0 "[ . 1 . 2]" 1
358 1 44 ASP HA 1 73 LYS HE3 0.000 . 6.000 5.153 2.961 6.578 0.578 13 2 "[ . 1- + . 2]" 1
359 1 44 ASP HB3 1 61 ARG HA 0.000 . 6.000 5.295 4.187 6.067 0.067 8 0 "[ . 1 . 2]" 1
360 1 43 ILE MD 1 44 ASP H 0.000 . 6.000 4.033 2.977 4.329 . 0 0 "[ . 1 . 2]" 1
361 1 43 ILE QG 1 44 ASP H 0.000 . 6.000 3.628 3.370 4.108 . 0 0 "[ . 1 . 2]" 1
362 1 43 ILE MG 1 44 ASP H 0.000 . 6.000 3.954 3.803 4.035 . 0 0 "[ . 1 . 2]" 1
363 1 44 ASP H 1 60 ARG HA 0.000 . 6.000 5.690 5.215 5.938 . 0 0 "[ . 1 . 2]" 1
364 1 44 ASP H 1 60 ARG QG 0.000 . 6.000 4.158 3.153 6.009 0.009 2 0 "[ . 1 . 2]" 1
365 1 44 ASP H 1 61 ARG H 0.000 . 6.000 4.546 3.989 4.881 . 0 0 "[ . 1 . 2]" 1
366 1 44 ASP H 1 73 LYS HD3 0.000 . 6.000 4.031 2.708 5.262 . 0 0 "[ . 1 . 2]" 1
367 1 45 VAL HA 1 60 ARG HA 0.000 . 3.000 1.986 1.817 2.134 . 0 0 "[ . 1 . 2]" 1
368 1 32 ALA HA 1 45 VAL HB 0.000 . 4.000 3.251 2.893 3.586 . 0 0 "[ . 1 . 2]" 1
369 1 35 THR HB 1 45 VAL HB 0.000 . 6.000 3.184 2.311 3.516 . 0 0 "[ . 1 . 2]" 1
370 1 43 ILE MD 1 45 VAL HB 0.000 . 5.000 4.203 3.586 4.551 . 0 0 "[ . 1 . 2]" 1
371 1 45 VAL HA 1 45 VAL HB 0.000 . 3.000 3.027 3.021 3.030 0.030 6 0 "[ . 1 . 2]" 1
372 1 45 VAL HB 1 58 THR MG 0.000 . 5.000 3.959 3.664 4.214 . 0 0 "[ . 1 . 2]" 1
373 1 45 VAL HB 1 60 ARG HA 0.000 . 6.000 4.791 4.607 4.976 . 0 0 "[ . 1 . 2]" 1
374 1 39 TYR QE 1 45 VAL MG2 0.000 . 6.000 3.115 1.840 3.615 . 0 0 "[ . 1 . 2]" 1
375 1 43 ILE MD 1 45 VAL MG2 0.000 . 4.000 1.856 1.626 2.054 . 0 0 "[ . 1 . 2]" 1
376 1 45 VAL MG1 1 46 ARG H 0.000 . 3.000 2.249 1.881 2.551 . 0 0 "[ . 1 . 2]" 1
377 1 45 VAL MG1 1 61 ARG H 0.000 . 6.000 4.811 4.668 5.079 . 0 0 "[ . 1 . 2]" 1
378 1 43 ILE MD 1 45 VAL H 0.000 . 6.000 4.708 3.498 5.077 . 0 0 "[ . 1 . 2]" 1
379 1 44 ASP HA 1 45 VAL H 0.000 . 3.000 2.199 2.187 2.239 . 0 0 "[ . 1 . 2]" 1
380 1 44 ASP QB 1 45 VAL H 0.000 . 6.000 3.787 3.292 3.918 . 0 0 "[ . 1 . 2]" 1
381 1 44 ASP H 1 45 VAL H 0.000 . 5.000 4.459 4.376 4.545 . 0 0 "[ . 1 . 2]" 1
382 1 45 VAL H 1 45 VAL HB 0.000 . 3.000 2.621 2.524 2.717 . 0 0 "[ . 1 . 2]" 1
383 1 45 VAL H 1 46 ARG HB2 0.000 . 6.000 5.467 5.178 6.049 0.049 14 0 "[ . 1 . 2]" 1
384 1 45 VAL H 1 60 ARG HA 0.000 . 6.000 4.815 4.580 4.947 . 0 0 "[ . 1 . 2]" 1
385 1 45 VAL H 1 61 ARG QG 0.000 . 6.000 4.737 4.270 5.611 . 0 0 "[ . 1 . 2]" 1
386 1 45 VAL H 1 61 ARG H 0.000 . 5.000 4.904 4.633 5.015 0.015 9 0 "[ . 1 . 2]" 1
387 1 32 ALA HA 1 46 ARG HA 0.000 . 6.000 4.744 4.321 5.066 . 0 0 "[ . 1 . 2]" 1
388 1 45 VAL HA 1 46 ARG HA 0.000 . 6.000 4.463 4.452 4.481 . 0 0 "[ . 1 . 2]" 1
389 1 45 VAL MG1 1 46 ARG HA 0.000 . 6.000 3.633 3.496 3.910 . 0 0 "[ . 1 . 2]" 1
390 1 45 VAL H 1 46 ARG HA 0.000 . 6.000 4.878 4.784 4.998 . 0 0 "[ . 1 . 2]" 1
391 1 46 ARG HA 1 47 VAL HB 0.000 . 6.000 5.163 4.669 5.791 . 0 0 "[ . 1 . 2]" 1
392 1 46 ARG HA 1 47 VAL H 0.000 . 3.000 2.219 2.200 2.241 . 0 0 "[ . 1 . 2]" 1
393 1 46 ARG HA 1 46 ARG HB2 0.000 . 3.000 2.557 2.464 3.025 0.025 15 0 "[ . 1 . 2]" 1
394 1 46 ARG HB2 1 46 ARG HD3 0.000 . 4.000 3.222 2.391 3.816 . 0 0 "[ . 1 . 2]" 1
395 1 46 ARG HD3 1 59 PHE HB2 0.000 . 6.000 5.244 3.834 6.338 0.338 11 0 "[ . 1 . 2]" 1
396 1 46 ARG HG2 1 59 PHE HB2 0.000 . 5.000 4.553 3.954 5.790 0.790 14 2 "[ . 1 +- 2]" 1
397 1 32 ALA MB 1 46 ARG H 0.000 . 6.000 4.078 3.678 4.364 . 0 0 "[ . 1 . 2]" 1
398 1 45 VAL HA 1 46 ARG H 0.000 . 3.000 2.232 2.205 2.285 . 0 0 "[ . 1 . 2]" 1
399 1 45 VAL HB 1 46 ARG H 0.000 . 6.000 4.088 3.988 4.186 . 0 0 "[ . 1 . 2]" 1
400 1 45 VAL MG2 1 46 ARG H 0.000 . 6.000 3.939 3.817 4.089 . 0 0 "[ . 1 . 2]" 1
401 1 45 VAL H 1 46 ARG H 0.000 . 5.000 4.440 4.380 4.502 . 0 0 "[ . 1 . 2]" 1
402 1 46 ARG H 1 59 PHE HA 0.000 . 5.000 4.627 4.528 4.736 . 0 0 "[ . 1 . 2]" 1
403 1 46 ARG H 1 59 PHE HB2 0.000 . 6.000 3.542 3.361 3.898 . 0 0 "[ . 1 . 2]" 1
404 1 46 ARG H 1 60 ARG HA 0.000 . 4.000 2.905 2.635 3.316 . 0 0 "[ . 1 . 2]" 1
405 1 46 ARG H 1 61 ARG H 0.000 . 5.000 4.200 3.895 4.658 . 0 0 "[ . 1 . 2]" 1
406 1 47 VAL HA 1 48 GLN H 0.000 . 3.000 2.208 2.193 2.222 . 0 0 "[ . 1 . 2]" 1
407 1 28 GLU HA 1 47 VAL HB 0.000 . 4.000 3.161 2.244 4.008 0.008 10 0 "[ . 1 . 2]" 1
408 1 28 GLU QB 1 47 VAL HB 0.000 . 5.000 3.651 2.746 4.782 . 0 0 "[ . 1 . 2]" 1
409 1 32 ALA HA 1 47 VAL HB 0.000 . 6.000 4.720 3.954 5.329 . 0 0 "[ . 1 . 2]" 1
410 1 28 GLU HA 1 47 VAL H 0.000 . 6.000 4.656 4.252 5.099 . 0 0 "[ . 1 . 2]" 1
411 1 32 ALA HA 1 47 VAL H 0.000 . 6.000 4.514 3.665 4.947 . 0 0 "[ . 1 . 2]" 1
412 1 45 VAL HB 1 47 VAL H 0.000 . 6.000 5.873 5.328 6.010 0.010 7 0 "[ . 1 . 2]" 1
413 1 45 VAL MG1 1 47 VAL H 0.000 . 6.000 4.138 3.712 4.457 . 0 0 "[ . 1 . 2]" 1
414 1 46 ARG HB2 1 47 VAL H 0.000 . 6.000 4.310 4.222 4.496 . 0 0 "[ . 1 . 2]" 1
415 1 46 ARG HD3 1 47 VAL H 0.000 . 6.000 5.122 4.127 5.590 . 0 0 "[ . 1 . 2]" 1
416 1 46 ARG H 1 47 VAL H 0.000 . 5.000 4.373 4.121 4.481 . 0 0 "[ . 1 . 2]" 1
417 1 48 GLN H 1 56 PHE HA 0.000 . 6.000 4.733 4.446 5.562 . 0 0 "[ . 1 . 2]" 1
418 1 48 GLN H 1 57 ASP HA 0.000 . 6.000 4.939 4.650 5.352 . 0 0 "[ . 1 . 2]" 1
419 1 48 GLN H 1 59 PHE HB2 0.000 . 6.000 5.089 4.591 5.514 . 0 0 "[ . 1 . 2]" 1
420 1 48 GLN H 1 59 PHE QE 0.000 . 6.000 3.215 2.551 3.885 . 0 0 "[ . 1 . 2]" 1
421 1 48 GLN H 1 59 PHE H 0.000 . 6.000 4.487 3.964 4.768 . 0 0 "[ . 1 . 2]" 1
422 1 48 GLN HB3 1 49 ILE HA 0.000 . 6.000 4.799 4.676 4.945 . 0 0 "[ . 1 . 2]" 1
423 1 49 ILE HA 1 56 PHE HA 0.000 . 4.000 2.031 1.841 2.778 . 0 0 "[ . 1 . 2]" 1
424 1 49 ILE HA 1 56 PHE QB 0.000 . 5.000 2.460 1.821 4.563 . 0 0 "[ . 1 . 2]" 1
425 1 49 ILE HA 1 56 PHE QD 0.000 . 6.000 3.956 3.836 4.239 . 0 0 "[ . 1 . 2]" 1
426 1 24 PHE HA 1 49 ILE HB 0.000 . 6.000 4.509 4.110 5.194 . 0 0 "[ . 1 . 2]" 1
427 1 28 GLU QB 1 49 ILE HB 0.000 . 6.000 5.651 4.971 5.893 . 0 0 "[ . 1 . 2]" 1
428 1 28 GLU QG 1 49 ILE HB 0.000 . 6.000 3.554 2.826 3.812 . 0 0 "[ . 1 . 2]" 1
429 1 49 ILE HB 1 56 PHE QB 0.000 . 6.000 3.988 3.472 5.600 . 0 0 "[ . 1 . 2]" 1
430 1 49 ILE HB 1 56 PHE QD 0.000 . 5.000 4.976 4.736 5.051 0.051 10 0 "[ . 1 . 2]" 1
431 1 24 PHE HB3 1 49 ILE MD 0.000 . 6.000 3.037 1.977 4.291 . 0 0 "[ . 1 . 2]" 1
432 1 24 PHE QE 1 49 ILE MD 0.000 . 4.000 3.844 3.503 4.009 0.009 18 0 "[ . 1 . 2]" 1
433 1 27 LEU HA 1 49 ILE MD 0.000 . 5.000 4.280 3.846 4.907 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU HB3 1 49 ILE MD 0.000 . 4.000 2.588 1.750 3.124 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLU HA 1 49 ILE MD 0.000 . 5.000 3.124 2.562 3.652 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLU QB 1 49 ILE MD 0.000 . 6.000 3.844 3.312 4.501 . 0 0 "[ . 1 . 2]" 1
437 1 31 LEU QD 1 49 ILE MD 0.000 . 4.000 2.727 2.045 3.661 . 0 0 "[ . 1 . 2]" 1
438 1 49 ILE MD 1 56 PHE HA 0.000 . 5.000 4.680 3.573 5.133 0.133 14 0 "[ . 1 . 2]" 1
439 1 50 ASP HA 1 51 ARG H 0.000 . 3.000 2.196 2.188 2.231 . 0 0 "[ . 1 . 2]" 1
440 1 49 ILE HA 1 50 ASP H 0.000 . 3.000 2.293 2.263 2.386 . 0 0 "[ . 1 . 2]" 1
441 1 49 ILE HB 1 50 ASP H 0.000 . 6.000 3.771 3.659 4.107 . 0 0 "[ . 1 . 2]" 1
442 1 49 ILE MD 1 50 ASP H 0.000 . 6.000 4.813 4.608 5.001 . 0 0 "[ . 1 . 2]" 1
443 1 50 ASP H 1 51 ARG H 0.000 . 5.000 4.275 4.140 4.393 . 0 0 "[ . 1 . 2]" 1
444 1 50 ASP H 1 54 GLY H 0.000 . 4.000 4.062 4.036 4.118 0.118 10 0 "[ . 1 . 2]" 1
445 1 50 ASP H 1 55 ASP H 0.000 . 5.000 2.676 2.385 3.019 . 0 0 "[ . 1 . 2]" 1
446 1 50 ASP H 1 56 PHE HA 0.000 . 4.000 3.182 2.841 4.003 0.003 15 0 "[ . 1 . 2]" 1
447 1 50 ASP H 1 56 PHE QD 0.000 . 6.000 5.139 4.786 5.851 . 0 0 "[ . 1 . 2]" 1
448 1 50 ASP H 1 57 ASP H 0.000 . 5.000 5.020 5.004 5.041 0.041 10 0 "[ . 1 . 2]" 1
449 1 49 ILE HB 1 51 ARG HA 0.000 . 6.000 5.480 5.069 6.012 0.012 14 0 "[ . 1 . 2]" 1
450 1 51 ARG HA 1 52 LYS HA 0.000 . 6.000 4.873 4.831 4.943 . 0 0 "[ . 1 . 2]" 1
451 1 51 ARG HA 1 52 LYS QB 0.000 . 6.000 5.399 5.205 5.521 . 0 0 "[ . 1 . 2]" 1
452 1 51 ARG HA 1 52 LYS HD2 0.000 . 6.000 5.715 4.807 6.017 0.017 18 0 "[ . 1 . 2]" 1
453 1 51 ARG HA 1 52 LYS HD3 0.000 . 6.000 5.607 4.996 6.004 0.004 16 0 "[ . 1 . 2]" 1
454 1 50 ASP HA 1 51 ARG HB3 0.000 . 5.000 4.962 4.607 5.773 0.773 14 5 "[ * . 1 * +. - *]" 1
455 1 51 ARG HA 1 51 ARG HD3 0.000 . 5.000 4.486 4.228 4.851 . 0 0 "[ . 1 . 2]" 1
456 1 49 ILE HA 1 51 ARG H 0.000 . 6.000 5.833 5.532 5.996 . 0 0 "[ . 1 . 2]" 1
457 1 50 ASP QB 1 51 ARG H 0.000 . 6.000 3.512 3.366 3.931 . 0 0 "[ . 1 . 2]" 1
458 1 51 ARG H 1 51 ARG HD3 0.000 . 6.000 4.705 3.425 5.964 . 0 0 "[ . 1 . 2]" 1
459 1 52 LYS HA 1 52 LYS QE 0.000 . 6.000 4.262 3.745 4.881 . 0 0 "[ . 1 . 2]" 1
460 1 52 LYS QB 1 53 SER H 0.000 . 4.000 2.288 1.966 2.859 . 0 0 "[ . 1 . 2]" 1
461 1 51 ARG HA 1 52 LYS H 0.000 . 4.000 3.554 3.490 3.579 . 0 0 "[ . 1 . 2]" 1
462 1 51 ARG HB3 1 52 LYS H 0.000 . 6.000 2.976 2.305 4.075 . 0 0 "[ . 1 . 2]" 1
463 1 52 LYS H 1 52 LYS HA 0.000 . 3.000 2.816 2.774 2.841 . 0 0 "[ . 1 . 2]" 1
464 1 52 LYS H 1 52 LYS HD3 0.000 . 6.000 2.537 2.327 2.901 . 0 0 "[ . 1 . 2]" 1
465 1 52 LYS H 1 53 SER QB 0.000 . 5.000 4.982 4.664 5.022 0.022 20 0 "[ . 1 . 2]" 1
466 1 52 LYS H 1 53 SER H 0.000 . 3.000 2.946 2.704 3.022 0.022 12 0 "[ . 1 . 2]" 1
467 1 52 LYS H 1 55 ASP H 0.000 . 6.000 5.648 5.029 5.899 . 0 0 "[ . 1 . 2]" 1
468 1 52 LYS QB 1 53 SER HA 0.000 . 6.000 3.968 3.775 4.270 . 0 0 "[ . 1 . 2]" 1
469 1 52 LYS HA 1 53 SER H 0.000 . 4.000 3.568 3.502 3.585 . 0 0 "[ . 1 . 2]" 1
470 1 52 LYS HD3 1 53 SER H 0.000 . 6.000 4.530 3.598 5.275 . 0 0 "[ . 1 . 2]" 1
471 1 52 LYS QG 1 53 SER H 0.000 . 6.000 4.038 3.587 4.626 . 0 0 "[ . 1 . 2]" 1
472 1 53 SER H 1 54 GLY HA3 0.000 . 5.000 5.001 4.550 5.243 0.243 2 0 "[ . 1 . 2]" 1
473 1 6 LEU QD 1 53 SER H 0.000 . 5.000 4.235 3.608 4.548 . 0 0 "[ . 1 . 2]" 1
474 1 52 LYS QB 1 54 GLY H 0.000 . 6.000 4.320 3.953 4.519 . 0 0 "[ . 1 . 2]" 1
475 1 53 SER HA 1 54 GLY H 0.000 . 4.000 3.541 3.429 3.569 . 0 0 "[ . 1 . 2]" 1
476 1 53 SER QB 1 54 GLY H 0.000 . 4.000 2.807 2.470 3.497 . 0 0 "[ . 1 . 2]" 1
477 1 53 SER H 1 54 GLY H 0.000 . 3.000 2.374 1.827 2.697 . 0 0 "[ . 1 . 2]" 1
478 1 54 GLY H 1 55 ASP H 0.000 . 3.000 2.231 1.947 2.319 . 0 0 "[ . 1 . 2]" 1
479 1 6 LEU QD 1 54 GLY H 0.000 . 3.000 3.011 2.988 3.041 0.041 10 0 "[ . 1 . 2]" 1
480 1 52 LYS QB 1 55 ASP H 0.000 . 6.000 5.854 4.958 6.061 0.061 7 0 "[ . 1 . 2]" 1
481 1 54 GLY HA3 1 55 ASP H 0.000 . 6.000 3.535 3.488 3.570 . 0 0 "[ . 1 . 2]" 1
482 1 28 GLU QG 1 56 PHE HA 0.000 . 6.000 5.487 5.113 5.931 . 0 0 "[ . 1 . 2]" 1
483 1 49 ILE HB 1 56 PHE HA 0.000 . 6.000 4.816 4.489 4.875 . 0 0 "[ . 1 . 2]" 1
484 1 56 PHE QB 1 57 ASP H 0.000 . 6.000 3.143 2.707 3.896 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU HB3 1 56 PHE QD 0.000 . 6.000 4.191 3.701 4.924 . 0 0 "[ . 1 . 2]" 1
486 1 28 GLU HA 1 56 PHE QE 0.000 . 6.000 5.430 3.331 6.011 0.011 16 0 "[ . 1 . 2]" 1
487 1 28 GLU QG 1 56 PHE QE 0.000 . 6.000 5.687 4.130 6.025 0.025 6 0 "[ . 1 . 2]" 1
488 1 56 PHE QE 1 99 SER QB 0.000 . 3.000 2.669 1.861 3.014 0.014 6 0 "[ . 1 . 2]" 1
489 1 56 PHE QE 1 100 VAL H 0.000 . 5.000 3.346 2.280 4.564 . 0 0 "[ . 1 . 2]" 1
490 1 57 ASP HA 1 59 PHE QE 0.000 . 6.000 4.445 4.178 5.024 . 0 0 "[ . 1 . 2]" 1
491 1 57 ASP HB3 1 58 THR H 0.000 . 6.000 3.136 2.668 4.121 . 0 0 "[ . 1 . 2]" 1
492 1 57 ASP HB3 1 59 PHE QE 0.000 . 5.000 2.435 1.873 3.118 . 0 0 "[ . 1 . 2]" 1
493 1 47 VAL HA 1 57 ASP H 0.000 . 5.000 4.704 4.434 5.008 0.008 15 0 "[ . 1 . 2]" 1
494 1 48 GLN H 1 57 ASP H 0.000 . 4.000 3.119 2.726 3.776 . 0 0 "[ . 1 . 2]" 1
495 1 56 PHE HA 1 57 ASP H 0.000 . 3.000 2.249 2.186 2.316 . 0 0 "[ . 1 . 2]" 1
496 1 56 PHE QD 1 57 ASP H 0.000 . 4.000 3.487 3.014 3.882 . 0 0 "[ . 1 . 2]" 1
497 1 57 ASP H 1 58 THR HA 0.000 . 6.000 4.958 4.705 5.095 . 0 0 "[ . 1 . 2]" 1
498 1 57 ASP H 1 58 THR H 0.000 . 6.000 4.524 4.396 4.590 . 0 0 "[ . 1 . 2]" 1
499 1 47 VAL HA 1 58 THR HA 0.000 . 3.000 2.277 1.996 2.473 . 0 0 "[ . 1 . 2]" 1
500 1 47 VAL HB 1 58 THR HA 0.000 . 6.000 3.901 3.040 4.783 . 0 0 "[ . 1 . 2]" 1
501 1 47 VAL QG 1 58 THR HA 0.000 . 3.000 2.177 1.871 2.613 . 0 0 "[ . 1 . 2]" 1
502 1 58 THR HA 1 59 PHE QD 0.000 . 4.000 3.534 3.145 3.726 . 0 0 "[ . 1 . 2]" 1
503 1 58 THR HA 1 59 PHE QE 0.000 . 6.000 4.692 4.228 4.945 . 0 0 "[ . 1 . 2]" 1
504 1 58 THR HA 1 59 PHE H 0.000 . 3.000 2.219 2.190 2.280 . 0 0 "[ . 1 . 2]" 1
505 1 47 VAL HA 1 58 THR HB 0.000 . 6.000 5.290 4.962 5.502 . 0 0 "[ . 1 . 2]" 1
506 1 58 THR HB 1 97 ILE HB 0.000 . 6.000 5.045 4.647 5.457 . 0 0 "[ . 1 . 2]" 1
507 1 45 VAL HA 1 58 THR MG 0.000 . 6.000 4.343 4.073 4.523 . 0 0 "[ . 1 . 2]" 1
508 1 47 VAL HA 1 58 THR MG 0.000 . 4.000 3.692 3.257 4.015 0.015 14 0 "[ . 1 . 2]" 1
509 1 47 VAL H 1 58 THR MG 0.000 . 6.000 4.789 4.199 5.131 . 0 0 "[ . 1 . 2]" 1
510 1 58 THR MG 1 59 PHE QD 0.000 . 6.000 4.572 4.311 4.699 . 0 0 "[ . 1 . 2]" 1
511 1 47 VAL HA 1 58 THR H 0.000 . 6.000 4.804 4.591 4.973 . 0 0 "[ . 1 . 2]" 1
512 1 47 VAL QG 1 58 THR H 0.000 . 6.000 4.036 3.363 4.676 . 0 0 "[ . 1 . 2]" 1
513 1 57 ASP HA 1 58 THR H 0.000 . 3.000 2.316 2.229 2.379 . 0 0 "[ . 1 . 2]" 1
514 1 58 THR H 1 58 THR HB 0.000 . 3.000 2.599 2.500 2.697 . 0 0 "[ . 1 . 2]" 1
515 1 58 THR H 1 59 PHE QE 0.000 . 5.000 4.528 3.989 4.915 . 0 0 "[ . 1 . 2]" 1
516 1 58 THR H 1 97 ILE H 0.000 . 6.000 4.630 4.374 4.959 . 0 0 "[ . 1 . 2]" 1
517 1 58 THR MG 1 59 PHE HA 0.000 . 6.000 3.727 3.540 3.884 . 0 0 "[ . 1 . 2]" 1
518 1 59 PHE HA 1 59 PHE QE 0.000 . 6.000 4.566 4.505 4.755 . 0 0 "[ . 1 . 2]" 1
519 1 59 PHE HA 1 60 ARG H 0.000 . 3.000 2.329 2.292 2.360 . 0 0 "[ . 1 . 2]" 1
520 1 59 PHE HA 1 96 GLN QG 0.000 . 6.000 3.969 3.522 5.034 . 0 0 "[ . 1 . 2]" 1
521 1 59 PHE HA 1 97 ILE MG 0.000 . 5.000 3.074 2.902 3.226 . 0 0 "[ . 1 . 2]" 1
522 1 46 ARG HB2 1 59 PHE QD 0.000 . 6.000 5.753 4.378 6.029 0.029 17 0 "[ . 1 . 2]" 1
523 1 59 PHE QD 1 96 GLN HA 0.000 . 3.000 1.980 1.867 2.801 . 0 0 "[ . 1 . 2]" 1
524 1 59 PHE QD 1 97 ILE H 0.000 . 5.000 3.877 3.692 4.472 . 0 0 "[ . 1 . 2]" 1
525 1 59 PHE QD 1 95 ASP HA 0.000 . 5.000 4.356 3.883 4.614 . 0 0 "[ . 1 . 2]" 1
526 1 59 PHE QE 1 96 GLN HA 0.000 . 6.000 3.423 3.225 3.705 . 0 0 "[ . 1 . 2]" 1
527 1 45 VAL HA 1 59 PHE H 0.000 . 6.000 4.796 4.580 5.059 . 0 0 "[ . 1 . 2]" 1
528 1 46 ARG H 1 59 PHE H 0.000 . 6.000 3.168 2.806 3.440 . 0 0 "[ . 1 . 2]" 1
529 1 47 VAL HA 1 59 PHE H 0.000 . 5.000 2.834 2.523 3.125 . 0 0 "[ . 1 . 2]" 1
530 1 47 VAL H 1 59 PHE H 0.000 . 5.000 4.514 4.192 4.704 . 0 0 "[ . 1 . 2]" 1
531 1 58 THR HB 1 59 PHE H 0.000 . 5.000 4.087 3.929 4.168 . 0 0 "[ . 1 . 2]" 1
532 1 59 PHE H 1 59 PHE QD 0.000 . 3.000 2.912 2.518 3.009 0.009 5 0 "[ . 1 . 2]" 1
533 1 59 PHE H 1 59 PHE QE 0.000 . 6.000 4.877 4.492 5.022 . 0 0 "[ . 1 . 2]" 1
534 1 59 PHE H 1 60 ARG HA 0.000 . 6.000 4.796 4.749 4.866 . 0 0 "[ . 1 . 2]" 1
535 1 57 ASP HB2 1 59 PHE HZ 0.000 . 4.000 3.156 2.338 3.828 . 0 0 "[ . 1 . 2]" 1
536 1 57 ASP HB3 1 59 PHE HZ 0.000 . 4.000 2.716 2.113 3.483 . 0 0 "[ . 1 . 2]" 1
537 1 59 PHE HZ 1 96 GLN QB 0.000 . 5.000 4.648 4.130 5.001 0.001 17 0 "[ . 1 . 2]" 1
538 1 46 ARG HB3 1 60 ARG HA 0.000 . 6.000 5.024 4.519 6.047 0.047 14 0 "[ . 1 . 2]" 1
539 1 46 ARG HB2 1 60 ARG HA 0.000 . 6.000 5.106 4.406 5.543 . 0 0 "[ . 1 . 2]" 1
540 1 60 ARG HA 1 61 ARG QB 0.000 . 6.000 4.210 3.911 4.321 . 0 0 "[ . 1 . 2]" 1
541 1 60 ARG HA 1 97 ILE MD 0.000 . 5.000 3.404 2.893 4.052 . 0 0 "[ . 1 . 2]" 1
542 1 43 ILE QG 1 60 ARG HB2 0.000 . 6.000 5.276 4.166 5.905 . 0 0 "[ . 1 . 2]" 1
543 1 60 ARG HB2 1 97 ILE MD 0.000 . 6.000 2.615 2.010 3.924 . 0 0 "[ . 1 . 2]" 1
544 1 60 ARG HB2 1 97 ILE MG 0.000 . 6.000 2.044 1.708 3.537 . 0 0 "[ . 1 . 2]" 1
545 1 60 ARG HB3 1 97 ILE MG 0.000 . 6.000 2.483 1.977 3.178 . 0 0 "[ . 1 . 2]" 1
546 1 60 ARG QD 1 97 ILE HG12 0.000 . 6.000 5.487 4.273 6.012 0.012 13 0 "[ . 1 . 2]" 1
547 1 43 ILE MD 1 60 ARG QG 0.000 . 6.000 2.686 1.874 4.578 . 0 0 "[ . 1 . 2]" 1
548 1 60 ARG QG 1 62 TRP QB 0.000 . 6.000 5.105 4.893 5.534 . 0 0 "[ . 1 . 2]" 1
549 1 58 THR MG 1 60 ARG H 0.000 . 6.000 4.792 4.681 4.890 . 0 0 "[ . 1 . 2]" 1
550 1 59 PHE QD 1 60 ARG H 0.000 . 6.000 3.857 3.668 4.241 . 0 0 "[ . 1 . 2]" 1
551 1 60 ARG H 1 61 ARG H 0.000 . 6.000 4.524 4.409 4.608 . 0 0 "[ . 1 . 2]" 1
552 1 60 ARG H 1 94 GLU HA 0.000 . 6.000 4.824 4.498 5.074 . 0 0 "[ . 1 . 2]" 1
553 1 60 ARG H 1 94 GLU QB 0.000 . 6.000 5.295 4.780 6.005 0.005 2 0 "[ . 1 . 2]" 1
554 1 60 ARG H 1 95 ASP HB3 0.000 . 6.000 3.361 2.686 4.627 . 0 0 "[ . 1 . 2]" 1
555 1 60 ARG H 1 95 ASP H 0.000 . 4.000 2.918 2.623 3.173 . 0 0 "[ . 1 . 2]" 1
556 1 60 ARG H 1 96 GLN HA 0.000 . 4.000 3.470 3.211 3.883 . 0 0 "[ . 1 . 2]" 1
557 1 60 ARG H 1 97 ILE MG 0.000 . 6.000 2.466 2.137 3.030 . 0 0 "[ . 1 . 2]" 1
558 1 60 ARG H 1 97 ILE H 0.000 . 5.000 3.875 3.591 4.155 . 0 0 "[ . 1 . 2]" 1
559 1 61 ARG HA 1 93 VAL MG2 0.000 . 6.000 5.169 4.177 5.821 . 0 0 "[ . 1 . 2]" 1
560 1 61 ARG HA 1 94 GLU HA 0.000 . 3.000 2.491 2.283 2.844 . 0 0 "[ . 1 . 2]" 1
561 1 61 ARG QB 1 62 TRP H 0.000 . 6.000 2.742 2.579 3.325 . 0 0 "[ . 1 . 2]" 1
562 1 61 ARG QB 1 92 TYR QD 0.000 . 5.000 4.101 3.742 4.693 . 0 0 "[ . 1 . 2]" 1
563 1 61 ARG QB 1 94 GLU HA 0.000 . 6.000 3.227 2.396 4.786 . 0 0 "[ . 1 . 2]" 1
564 1 61 ARG QB 1 94 GLU HG2 0.000 . 6.000 3.663 2.502 5.109 . 0 0 "[ . 1 . 2]" 1
565 1 45 VAL HA 1 61 ARG QG 0.000 . 6.000 4.100 3.755 4.953 . 0 0 "[ . 1 . 2]" 1
566 1 60 ARG HA 1 61 ARG QG 0.000 . 6.000 4.105 3.831 4.989 . 0 0 "[ . 1 . 2]" 1
567 1 61 ARG QG 1 94 GLU HG2 0.000 . 6.000 5.202 2.861 6.779 0.779 1 1 "[+ . 1 . 2]" 1
568 1 45 VAL HA 1 61 ARG H 0.000 . 4.000 3.120 2.999 3.294 . 0 0 "[ . 1 . 2]" 1
569 1 45 VAL HB 1 61 ARG H 0.000 . 6.000 5.974 5.795 6.045 0.045 14 0 "[ . 1 . 2]" 1
570 1 60 ARG HA 1 61 ARG H 0.000 . 4.000 2.307 2.224 2.413 . 0 0 "[ . 1 . 2]" 1
571 1 61 ARG H 1 61 ARG HD2 0.000 . 6.000 4.662 4.471 4.814 . 0 0 "[ . 1 . 2]" 1
572 1 61 ARG HA 1 62 TRP HA 0.000 . 5.000 4.515 4.482 4.532 . 0 0 "[ . 1 . 2]" 1
573 1 61 ARG HD2 1 62 TRP HA 0.000 . 4.000 3.980 3.600 4.750 0.750 16 3 "[ *- 1 .+ 2]" 1
574 1 62 TRP HA 1 63 LEU H 0.000 . 3.000 2.348 2.307 2.366 . 0 0 "[ . 1 . 2]" 1
575 1 62 TRP HA 1 73 LYS HA 0.000 . 4.000 3.863 3.476 4.056 0.056 15 0 "[ . 1 . 2]" 1
576 1 62 TRP HA 1 74 GLU HA 0.000 . 5.000 3.392 2.971 3.873 . 0 0 "[ . 1 . 2]" 1
577 1 62 TRP HA 1 75 ILE MG 0.000 . 6.000 3.912 3.620 4.267 . 0 0 "[ . 1 . 2]" 1
578 1 62 TRP HA 1 93 VAL HB 0.000 . 6.000 5.050 4.574 6.032 0.032 2 0 "[ . 1 . 2]" 1
579 1 62 TRP HA 1 93 VAL MG2 0.000 . 6.000 5.332 4.902 6.167 0.167 2 0 "[ . 1 . 2]" 1
580 1 62 TRP HB3 1 93 VAL MG1 0.000 . 5.000 4.412 2.928 5.169 0.169 16 0 "[ . 1 . 2]" 1
581 1 62 TRP HD1 1 63 LEU H 0.000 . 6.000 3.565 3.183 4.105 . 0 0 "[ . 1 . 2]" 1
582 1 62 TRP HD1 1 73 LYS H 0.000 . 4.000 4.007 3.939 4.058 0.058 14 0 "[ . 1 . 2]" 1
583 1 62 TRP HD1 1 75 ILE MD 0.000 . 6.000 5.691 5.248 6.021 0.021 8 0 "[ . 1 . 2]" 1
584 1 62 TRP HD1 1 75 ILE MG 0.000 . 5.000 4.709 4.073 5.009 0.009 8 0 "[ . 1 . 2]" 1
585 1 62 TRP HD1 1 75 ILE H 0.000 . 5.000 4.514 3.855 4.849 . 0 0 "[ . 1 . 2]" 1
586 1 61 ARG HA 1 62 TRP HE3 0.000 . 5.000 4.660 4.144 5.006 0.006 20 0 "[ . 1 . 2]" 1
587 1 61 ARG HA 1 62 TRP H 0.000 . 3.000 2.333 2.245 2.383 . 0 0 "[ . 1 . 2]" 1
588 1 61 ARG HD2 1 62 TRP H 0.000 . 6.000 3.907 2.055 5.025 . 0 0 "[ . 1 . 2]" 1
589 1 61 ARG QG 1 62 TRP H 0.000 . 6.000 3.766 3.533 3.936 . 0 0 "[ . 1 . 2]" 1
590 1 62 TRP H 1 92 TYR HA 0.000 . 5.000 4.185 3.907 4.509 . 0 0 "[ . 1 . 2]" 1
591 1 62 TRP H 1 92 TYR QB 0.000 . 6.000 3.850 3.314 4.295 . 0 0 "[ . 1 . 2]" 1
592 1 62 TRP H 1 93 VAL H 0.000 . 4.000 2.495 2.148 2.707 . 0 0 "[ . 1 . 2]" 1
593 1 62 TRP H 1 94 GLU HA 0.000 . 4.000 3.999 3.934 4.020 0.020 4 0 "[ . 1 . 2]" 1
594 1 62 TRP H 1 94 GLU H 0.000 . 6.000 4.881 4.726 5.063 . 0 0 "[ . 1 . 2]" 1
595 1 60 ARG QD 1 62 TRP HZ2 0.000 . 3.000 2.044 1.745 2.817 . 0 0 "[ . 1 . 2]" 1
596 1 63 LEU HA 1 63 LEU QD 0.000 . 3.000 2.083 1.773 2.815 . 0 0 "[ . 1 . 2]" 1
597 1 63 LEU HA 1 92 TYR HA 0.000 . 3.000 2.257 1.873 2.413 . 0 0 "[ . 1 . 2]" 1
598 1 63 LEU HA 1 92 TYR QB 0.000 . 6.000 3.988 3.650 4.170 . 0 0 "[ . 1 . 2]" 1
599 1 63 LEU HA 1 92 TYR QD 0.000 . 4.000 2.920 2.736 3.092 . 0 0 "[ . 1 . 2]" 1
600 1 63 LEU HA 1 92 TYR QE 0.000 . 5.000 4.034 3.761 4.300 . 0 0 "[ . 1 . 2]" 1
601 1 63 LEU HB2 1 63 LEU QD 0.000 . 3.000 2.239 1.924 2.401 . 0 0 "[ . 1 . 2]" 1
602 1 63 LEU HB2 1 74 GLU HA 0.000 . 6.000 4.072 3.795 4.266 . 0 0 "[ . 1 . 2]" 1
603 1 63 LEU HB2 1 74 GLU HG3 0.000 . 6.000 5.475 3.653 6.372 0.372 10 0 "[ . 1 . 2]" 1
604 1 63 LEU HB3 1 92 TYR QE 0.000 . 6.000 4.297 3.967 4.806 . 0 0 "[ . 1 . 2]" 1
605 1 62 TRP HB3 1 63 LEU QD 0.000 . 6.000 5.199 4.968 5.538 . 0 0 "[ . 1 . 2]" 1
606 1 63 LEU MD1 1 63 LEU MD2 0.000 . 3.000 1.954 1.870 2.080 . 0 0 "[ . 1 . 2]" 1
607 1 63 LEU H 1 63 LEU QD 0.000 . 5.000 3.626 3.536 3.770 . 0 0 "[ . 1 . 2]" 1
608 1 63 LEU QD 1 64 VAL HB 0.000 . 5.000 3.302 2.766 4.083 . 0 0 "[ . 1 . 2]" 1
609 1 63 LEU QD 1 64 VAL H 0.000 . 3.000 2.233 1.745 2.931 . 0 0 "[ . 1 . 2]" 1
610 1 63 LEU QD 1 65 VAL QG 0.000 . 6.000 1.901 1.699 2.164 . 0 0 "[ . 1 . 2]" 1
611 1 63 LEU QD 1 74 GLU HA 0.000 . 5.000 4.028 3.651 4.380 . 0 0 "[ . 1 . 2]" 1
612 1 63 LEU QD 1 90 GLY HA2 0.000 . 3.000 2.589 2.330 2.843 . 0 0 "[ . 1 . 2]" 1
613 1 63 LEU QD 1 90 GLY HA3 0.000 . 5.000 3.772 3.465 4.014 . 0 0 "[ . 1 . 2]" 1
614 1 63 LEU QD 1 92 TYR QD 0.000 . 4.000 2.674 2.337 3.118 . 0 0 "[ . 1 . 2]" 1
615 1 63 LEU QD 1 64 VAL HA 0.000 . 6.000 3.759 3.270 4.519 . 0 0 "[ . 1 . 2]" 1
616 1 63 LEU QD 1 74 GLU HG2 0.000 . 6.000 3.764 2.694 4.639 . 0 0 "[ . 1 . 2]" 1
617 1 63 LEU QD 1 89 LEU HA 0.000 . 6.000 4.297 3.263 5.084 . 0 0 "[ . 1 . 2]" 1
618 1 63 LEU QD 1 92 TYR HA 0.000 . 5.000 2.902 2.380 3.646 . 0 0 "[ . 1 . 2]" 1
619 1 63 LEU QD 1 92 TYR QE 0.000 . 3.000 2.428 1.872 2.742 . 0 0 "[ . 1 . 2]" 1
620 1 62 TRP QB 1 63 LEU H 0.000 . 6.000 2.682 2.626 2.811 . 0 0 "[ . 1 . 2]" 1
621 1 63 LEU H 1 64 VAL H 0.000 . 5.000 4.518 4.413 4.577 . 0 0 "[ . 1 . 2]" 1
622 1 63 LEU H 1 65 VAL QG 0.000 . 6.000 4.077 3.940 4.189 . 0 0 "[ . 1 . 2]" 1
623 1 63 LEU H 1 74 GLU HA 0.000 . 3.000 1.930 1.837 2.242 . 0 0 "[ . 1 . 2]" 1
624 1 63 LEU H 1 92 TYR QD 0.000 . 6.000 4.301 3.916 4.607 . 0 0 "[ . 1 . 2]" 1
625 1 63 LEU HA 1 64 VAL HA 0.000 . 6.000 4.422 4.402 4.448 . 0 0 "[ . 1 . 2]" 1
626 1 64 VAL HA 1 76 THR HA 0.000 . 5.000 4.425 3.983 5.055 0.055 11 0 "[ . 1 . 2]" 1
627 1 64 VAL HA 1 92 TYR HA 0.000 . 6.000 5.552 5.307 5.787 . 0 0 "[ . 1 . 2]" 1
628 1 64 VAL HA 1 64 VAL MG1 0.000 . 3.000 2.268 2.109 2.368 . 0 0 "[ . 1 . 2]" 1
629 1 64 VAL MG1 1 66 ASP HA 0.000 . 5.000 4.606 4.427 4.854 . 0 0 "[ . 1 . 2]" 1
630 1 64 VAL MG1 1 77 LEU HA 0.000 . 4.000 1.905 1.742 2.111 . 0 0 "[ . 1 . 2]" 1
631 1 64 VAL MG1 1 87 LEU HG 0.000 . 6.000 5.937 5.654 6.017 0.017 8 0 "[ . 1 . 2]" 1
632 1 64 VAL MG1 1 88 ASN HA 0.000 . 6.000 3.201 2.559 3.647 . 0 0 "[ . 1 . 2]" 1
633 1 64 VAL MG1 1 89 LEU HA 0.000 . 4.000 2.021 1.830 2.512 . 0 0 "[ . 1 . 2]" 1
634 1 64 VAL MG1 1 90 GLY HA2 0.000 . 6.000 5.368 5.068 6.001 0.001 15 0 "[ . 1 . 2]" 1
635 1 64 VAL MG1 1 91 ASP H 0.000 . 6.000 3.623 3.404 4.096 . 0 0 "[ . 1 . 2]" 1
636 1 63 LEU HA 1 64 VAL H 0.000 . 3.000 2.227 2.196 2.268 . 0 0 "[ . 1 . 2]" 1
637 1 63 LEU HB3 1 64 VAL H 0.000 . 6.000 4.117 3.997 4.206 . 0 0 "[ . 1 . 2]" 1
638 1 63 LEU HG 1 64 VAL H 0.000 . 6.000 3.616 2.098 4.544 . 0 0 "[ . 1 . 2]" 1
639 1 64 VAL H 1 65 VAL H 0.000 . 6.000 4.528 4.465 4.586 . 0 0 "[ . 1 . 2]" 1
640 1 64 VAL H 1 74 GLU HA 0.000 . 6.000 5.732 5.431 5.995 . 0 0 "[ . 1 . 2]" 1
641 1 64 VAL H 1 89 LEU HA 0.000 . 6.000 4.831 4.118 5.140 . 0 0 "[ . 1 . 2]" 1
642 1 64 VAL H 1 89 LEU QD 0.000 . 6.000 4.589 4.282 5.247 . 0 0 "[ . 1 . 2]" 1
643 1 64 VAL H 1 91 ASP H 0.000 . 4.000 3.442 3.109 3.885 . 0 0 "[ . 1 . 2]" 1
644 1 64 VAL H 1 92 TYR HA 0.000 . 4.000 3.203 2.942 3.464 . 0 0 "[ . 1 . 2]" 1
645 1 64 VAL H 1 92 TYR QD 0.000 . 5.000 4.729 4.567 4.871 . 0 0 "[ . 1 . 2]" 1
646 1 64 VAL H 1 92 TYR QE 0.000 . 6.000 5.493 5.293 5.683 . 0 0 "[ . 1 . 2]" 1
647 1 65 VAL HA 1 66 ASP QB 0.000 . 6.000 4.162 4.093 4.184 . 0 0 "[ . 1 . 2]" 1
648 1 65 VAL HA 1 89 LEU HA 0.000 . 6.000 4.303 3.890 4.498 . 0 0 "[ . 1 . 2]" 1
649 1 65 VAL HA 1 89 LEU HB3 0.000 . 6.000 5.464 4.302 5.945 . 0 0 "[ . 1 . 2]" 1
650 1 65 VAL HA 1 89 LEU QD 0.000 . 4.000 2.103 1.753 2.533 . 0 0 "[ . 1 . 2]" 1
651 1 65 VAL HB 1 74 GLU HA 0.000 . 6.000 5.854 5.548 6.054 0.054 19 0 "[ . 1 . 2]" 1
652 1 65 VAL QG 1 66 ASP QB 0.000 . 6.000 3.786 3.302 4.609 . 0 0 "[ . 1 . 2]" 1
653 1 65 VAL QG 1 68 VAL HA 0.000 . 3.000 2.097 1.821 2.378 . 0 0 "[ . 1 . 2]" 1
654 1 65 VAL QG 1 74 GLU HG2 0.000 . 6.000 3.275 2.648 3.986 . 0 0 "[ . 1 . 2]" 1
655 1 65 VAL QG 1 76 THR MG 0.000 . 4.000 3.468 2.646 3.830 . 0 0 "[ . 1 . 2]" 1
656 1 65 VAL QG 1 89 LEU HA 0.000 . 6.000 4.956 4.539 5.123 . 0 0 "[ . 1 . 2]" 1
657 1 63 LEU QD 1 65 VAL H 0.000 . 6.000 3.922 3.457 4.624 . 0 0 "[ . 1 . 2]" 1
658 1 63 LEU H 1 65 VAL H 0.000 . 6.000 5.952 5.718 6.018 0.018 19 0 "[ . 1 . 2]" 1
659 1 64 VAL HA 1 65 VAL H 0.000 . 3.000 2.191 2.168 2.202 . 0 0 "[ . 1 . 2]" 1
660 1 65 VAL H 1 66 ASP H 0.000 . 5.000 4.440 4.369 4.492 . 0 0 "[ . 1 . 2]" 1
661 1 65 VAL H 1 75 ILE HB 0.000 . 6.000 5.684 5.480 5.843 . 0 0 "[ . 1 . 2]" 1
662 1 65 VAL H 1 75 ILE H 0.000 . 4.000 3.848 3.504 4.022 0.022 10 0 "[ . 1 . 2]" 1
663 1 65 VAL H 1 77 LEU H 0.000 . 5.000 3.435 3.224 3.627 . 0 0 "[ . 1 . 2]" 1
664 1 66 ASP HA 1 67 GLU H 0.000 . 4.000 3.435 3.411 3.526 . 0 0 "[ . 1 . 2]" 1
665 1 66 ASP QB 1 67 GLU HA 0.000 . 6.000 4.631 4.322 4.790 . 0 0 "[ . 1 . 2]" 1
666 1 66 ASP QB 1 89 LEU QD 0.000 . 3.000 2.346 1.732 2.652 . 0 0 "[ . 1 . 2]" 1
667 1 65 VAL HA 1 66 ASP H 0.000 . 6.000 2.253 2.207 2.373 . 0 0 "[ . 1 . 2]" 1
668 1 65 VAL HB 1 66 ASP H 0.000 . 6.000 3.671 2.761 4.060 . 0 0 "[ . 1 . 2]" 1
669 1 65 VAL QG 1 66 ASP H 0.000 . 6.000 2.477 1.865 3.424 . 0 0 "[ . 1 . 2]" 1
670 1 66 ASP H 1 67 GLU QB 0.000 . 6.000 4.609 4.351 5.208 . 0 0 "[ . 1 . 2]" 1
671 1 66 ASP H 1 67 GLU H 0.000 . 3.000 2.436 2.186 2.608 . 0 0 "[ . 1 . 2]" 1
672 1 66 ASP H 1 89 LEU HB3 0.000 . 6.000 5.502 4.551 6.006 0.006 9 0 "[ . 1 . 2]" 1
673 1 66 ASP H 1 89 LEU QD 0.000 . 6.000 2.138 1.818 2.448 . 0 0 "[ . 1 . 2]" 1
674 1 67 GLU HA 1 68 VAL HA 0.000 . 6.000 4.805 4.715 5.067 . 0 0 "[ . 1 . 2]" 1
675 1 65 VAL QG 1 67 GLU QB 0.000 . 6.000 3.716 3.107 4.755 . 0 0 "[ . 1 . 2]" 1
676 1 66 ASP QB 1 67 GLU QG 0.000 . 6.000 4.790 2.210 5.375 . 0 0 "[ . 1 . 2]" 1
677 1 67 GLU QG 1 68 VAL H 0.000 . 6.000 4.189 4.061 4.468 . 0 0 "[ . 1 . 2]" 1
678 1 67 GLU QG 1 69 THR HA 0.000 . 6.000 4.575 4.174 5.755 . 0 0 "[ . 1 . 2]" 1
679 1 67 GLU QG 1 69 THR MG 0.000 . 6.000 3.659 3.313 4.543 . 0 0 "[ . 1 . 2]" 1
680 1 65 VAL HB 1 67 GLU H 0.000 . 6.000 2.961 2.384 3.238 . 0 0 "[ . 1 . 2]" 1
681 1 65 VAL QG 1 67 GLU H 0.000 . 4.000 2.332 1.705 3.641 . 0 0 "[ . 1 . 2]" 1
682 1 65 VAL H 1 67 GLU H 0.000 . 6.000 5.006 4.704 5.624 . 0 0 "[ . 1 . 2]" 1
683 1 66 ASP QB 1 67 GLU H 0.000 . 3.000 2.979 2.770 3.073 0.073 13 0 "[ . 1 . 2]" 1
684 1 67 GLU H 1 68 VAL HA 0.000 . 5.000 4.051 3.980 4.216 . 0 0 "[ . 1 . 2]" 1
685 1 67 GLU H 1 68 VAL H 0.000 . 4.000 2.768 2.405 2.916 . 0 0 "[ . 1 . 2]" 1
686 1 67 GLU H 1 89 LEU QD 0.000 . 5.000 3.945 3.705 4.187 . 0 0 "[ . 1 . 2]" 1
687 1 65 VAL HB 1 68 VAL HA 0.000 . 5.000 2.402 2.202 2.796 . 0 0 "[ . 1 . 2]" 1
688 1 68 VAL HA 1 69 THR MG 0.000 . 6.000 3.654 3.544 3.815 . 0 0 "[ . 1 . 2]" 1
689 1 68 VAL HA 1 70 GLN H 0.000 . 4.000 3.405 3.342 3.569 . 0 0 "[ . 1 . 2]" 1
690 1 68 VAL HA 1 76 THR MG 0.000 . 6.000 3.905 3.593 4.884 . 0 0 "[ . 1 . 2]" 1
691 1 65 VAL HA 1 68 VAL H 0.000 . 6.000 4.853 4.653 5.162 . 0 0 "[ . 1 . 2]" 1
692 1 65 VAL HB 1 68 VAL H 0.000 . 6.000 2.488 2.390 2.918 . 0 0 "[ . 1 . 2]" 1
693 1 65 VAL QG 1 68 VAL H 0.000 . 4.000 2.561 1.828 2.792 . 0 0 "[ . 1 . 2]" 1
694 1 67 GLU HA 1 68 VAL H 0.000 . 3.000 2.644 2.523 2.983 . 0 0 "[ . 1 . 2]" 1
695 1 67 GLU QB 1 68 VAL H 0.000 . 6.000 3.961 3.722 4.005 . 0 0 "[ . 1 . 2]" 1
696 1 68 VAL H 1 68 VAL HB 0.000 . 3.000 2.362 2.103 3.002 0.002 11 0 "[ . 1 . 2]" 1
697 1 68 VAL H 1 69 THR MG 0.000 . 6.000 4.919 4.546 5.347 . 0 0 "[ . 1 . 2]" 1
698 1 68 VAL H 1 69 THR H 0.000 . 5.000 4.456 4.261 4.510 . 0 0 "[ . 1 . 2]" 1
699 1 68 VAL H 1 70 GLN H 0.000 . 6.000 5.664 5.549 5.787 . 0 0 "[ . 1 . 2]" 1
700 1 68 VAL H 1 76 THR MG 0.000 . 4.000 2.227 1.836 3.277 . 0 0 "[ . 1 . 2]" 1
701 1 68 VAL HA 1 69 THR HA 0.000 . 6.000 4.464 4.452 4.472 . 0 0 "[ . 1 . 2]" 1
702 1 69 THR HA 1 69 THR HB 0.000 . 3.000 2.431 2.410 2.458 . 0 0 "[ . 1 . 2]" 1
703 1 69 THR HA 1 69 THR MG 0.000 . 3.000 2.422 2.310 2.497 . 0 0 "[ . 1 . 2]" 1
704 1 69 THR HA 1 70 GLN HA 0.000 . 6.000 4.538 4.523 4.577 . 0 0 "[ . 1 . 2]" 1
705 1 69 THR HA 1 70 GLN H 0.000 . 4.000 3.424 3.395 3.490 . 0 0 "[ . 1 . 2]" 1
706 1 69 THR HA 1 71 PRO HD3 0.000 . 6.000 4.809 4.182 5.111 . 0 0 "[ . 1 . 2]" 1
707 1 65 VAL HB 1 69 THR MG 0.000 . 6.000 5.120 4.498 5.492 . 0 0 "[ . 1 . 2]" 1
708 1 67 GLU QB 1 69 THR MG 0.000 . 6.000 3.526 3.291 3.979 . 0 0 "[ . 1 . 2]" 1
709 1 69 THR MG 1 70 GLN HA 0.000 . 6.000 5.634 5.582 5.664 . 0 0 "[ . 1 . 2]" 1
710 1 65 VAL HB 1 69 THR H 0.000 . 6.000 4.383 4.009 4.652 . 0 0 "[ . 1 . 2]" 1
711 1 65 VAL QG 1 69 THR H 0.000 . 4.000 3.204 3.009 3.759 . 0 0 "[ . 1 . 2]" 1
712 1 67 GLU QB 1 69 THR H 0.000 . 5.000 5.026 5.006 5.052 0.052 19 0 "[ . 1 . 2]" 1
713 1 68 VAL HA 1 69 THR H 0.000 . 3.000 2.178 2.172 2.187 . 0 0 "[ . 1 . 2]" 1
714 1 69 THR H 1 69 THR MG 0.000 . 4.000 2.226 2.068 2.396 . 0 0 "[ . 1 . 2]" 1
715 1 69 THR H 1 70 GLN HA 0.000 . 6.000 5.034 4.930 5.140 . 0 0 "[ . 1 . 2]" 1
716 1 69 THR H 1 70 GLN H 0.000 . 3.000 2.280 2.160 2.419 . 0 0 "[ . 1 . 2]" 1
717 1 69 THR H 1 74 GLU QG 0.000 . 5.000 4.801 4.200 5.039 0.039 19 0 "[ . 1 . 2]" 1
718 1 70 GLN HA 1 71 PRO HD2 0.000 . 3.000 1.928 1.873 1.982 . 0 0 "[ . 1 . 2]" 1
719 1 70 GLN HA 1 71 PRO HD3 0.000 . 3.000 2.592 2.422 2.766 . 0 0 "[ . 1 . 2]" 1
720 1 65 VAL QG 1 70 GLN H 0.000 . 5.000 4.181 3.796 4.551 . 0 0 "[ . 1 . 2]" 1
721 1 68 VAL HB 1 70 GLN H 0.000 . 6.000 4.731 4.482 5.059 . 0 0 "[ . 1 . 2]" 1
722 1 69 THR HB 1 70 GLN H 0.000 . 5.000 4.143 3.867 4.240 . 0 0 "[ . 1 . 2]" 1
723 1 69 THR MG 1 70 GLN H 0.000 . 4.000 3.882 3.797 3.945 . 0 0 "[ . 1 . 2]" 1
724 1 70 GLN H 1 71 PRO HD3 0.000 . 5.000 3.847 3.611 4.077 . 0 0 "[ . 1 . 2]" 1
725 1 70 GLN H 1 72 THR H 0.000 . 5.000 4.917 4.823 5.017 0.017 20 0 "[ . 1 . 2]" 1
726 1 70 GLN H 1 73 LYS H 0.000 . 6.000 5.270 5.072 5.499 . 0 0 "[ . 1 . 2]" 1
727 1 70 GLN H 1 74 GLU HB3 0.000 . 6.000 4.212 3.812 5.283 . 0 0 "[ . 1 . 2]" 1
728 1 70 GLN HA 1 71 PRO HA 0.000 . 6.000 4.573 4.536 4.618 . 0 0 "[ . 1 . 2]" 1
729 1 70 GLN H 1 71 PRO HA 0.000 . 6.000 4.500 4.391 4.610 . 0 0 "[ . 1 . 2]" 1
730 1 71 PRO HA 1 72 THR MG 0.000 . 6.000 4.781 4.591 4.993 . 0 0 "[ . 1 . 2]" 1
731 1 71 PRO HA 1 72 THR H 0.000 . 6.000 3.365 3.332 3.422 . 0 0 "[ . 1 . 2]" 1
732 1 71 PRO HA 1 74 GLU H 0.000 . 6.000 2.986 2.622 3.307 . 0 0 "[ . 1 . 2]" 1
733 1 71 PRO HB2 1 72 THR MG 0.000 . 6.000 4.224 3.957 4.540 . 0 0 "[ . 1 . 2]" 1
734 1 68 VAL QG 1 71 PRO HD3 0.000 . 3.000 2.622 2.346 2.894 . 0 0 "[ . 1 . 2]" 1
735 1 68 VAL QG 1 71 PRO HD2 0.000 . 5.000 3.759 3.392 3.993 . 0 0 "[ . 1 . 2]" 1
736 1 71 PRO HD3 1 72 THR MG 0.000 . 5.000 4.689 4.553 4.917 . 0 0 "[ . 1 . 2]" 1
737 1 70 GLN HA 1 71 PRO HG3 0.000 . 5.000 4.432 4.385 4.497 . 0 0 "[ . 1 . 2]" 1
738 1 71 PRO HG3 1 72 THR MG 0.000 . 5.000 4.521 4.323 4.777 . 0 0 "[ . 1 . 2]" 1
739 1 43 ILE MG 1 72 THR MG 0.000 . 4.000 3.310 2.933 3.686 . 0 0 "[ . 1 . 2]" 1
740 1 70 GLN QG 1 72 THR MG 0.000 . 6.000 3.376 2.269 5.068 . 0 0 "[ . 1 . 2]" 1
741 1 43 ILE MG 1 72 THR H 0.000 . 5.000 4.848 4.519 5.033 0.033 17 0 "[ . 1 . 2]" 1
742 1 68 VAL QG 1 72 THR H 0.000 . 5.000 4.136 3.513 4.513 . 0 0 "[ . 1 . 2]" 1
743 1 70 GLN HA 1 72 THR H 0.000 . 4.000 3.398 3.290 3.521 . 0 0 "[ . 1 . 2]" 1
744 1 71 PRO HB3 1 72 THR H 0.000 . 6.000 4.496 4.427 4.542 . 0 0 "[ . 1 . 2]" 1
745 1 71 PRO HD2 1 72 THR H 0.000 . 4.000 3.079 2.991 3.325 . 0 0 "[ . 1 . 2]" 1
746 1 71 PRO HD3 1 72 THR H 0.000 . 5.000 4.092 4.040 4.230 . 0 0 "[ . 1 . 2]" 1
747 1 72 THR H 1 73 LYS HB3 0.000 . 6.000 5.753 4.844 6.510 0.510 18 1 "[ . 1 . + 2]" 1
748 1 72 THR H 1 73 LYS H 0.000 . 3.000 2.530 2.404 2.721 . 0 0 "[ . 1 . 2]" 1
749 1 73 LYS HA 1 73 LYS HD3 0.000 . 4.000 4.299 3.935 4.752 0.752 6 9 "[* **+ - 1 ** . **2]" 1
750 1 43 ILE MG 1 73 LYS H 0.000 . 6.000 4.734 4.324 5.478 . 0 0 "[ . 1 . 2]" 1
751 1 62 TRP HE1 1 73 LYS H 0.000 . 6.000 4.309 3.785 4.847 . 0 0 "[ . 1 . 2]" 1
752 1 71 PRO HB3 1 73 LYS H 0.000 . 6.000 5.894 5.403 6.540 0.540 17 1 "[ . 1 . + 2]" 1
753 1 62 TRP QB 1 74 GLU HA 0.000 . 6.000 3.169 2.420 3.584 . 0 0 "[ . 1 . 2]" 1
754 1 62 TRP HD1 1 74 GLU HA 0.000 . 5.000 3.327 2.679 3.620 . 0 0 "[ . 1 . 2]" 1
755 1 63 LEU HB3 1 74 GLU HA 0.000 . 6.000 3.014 2.591 3.362 . 0 0 "[ . 1 . 2]" 1
756 1 63 LEU HG 1 74 GLU HA 0.000 . 6.000 5.434 4.796 5.880 . 0 0 "[ . 1 . 2]" 1
757 1 74 GLU HA 1 75 ILE HB 0.000 . 6.000 4.525 4.441 4.615 . 0 0 "[ . 1 . 2]" 1
758 1 62 TRP HA 1 74 GLU H 0.000 . 5.000 4.626 4.229 4.859 . 0 0 "[ . 1 . 2]" 1
759 1 62 TRP QB 1 74 GLU H 0.000 . 6.000 4.328 3.571 4.915 . 0 0 "[ . 1 . 2]" 1
760 1 63 LEU H 1 74 GLU H 0.000 . 6.000 4.525 4.325 4.717 . 0 0 "[ . 1 . 2]" 1
761 1 65 VAL QG 1 74 GLU H 0.000 . 6.000 4.986 4.266 5.679 . 0 0 "[ . 1 . 2]" 1
762 1 72 THR H 1 74 GLU H 0.000 . 6.000 3.603 3.385 4.189 . 0 0 "[ . 1 . 2]" 1
763 1 73 LYS HA 1 74 GLU H 0.000 . 4.000 3.141 3.067 3.240 . 0 0 "[ . 1 . 2]" 1
764 1 73 LYS H 1 74 GLU H 0.000 . 3.000 1.993 1.843 2.382 . 0 0 "[ . 1 . 2]" 1
765 1 74 GLU H 1 75 ILE H 0.000 . 5.000 4.378 4.154 4.472 . 0 0 "[ . 1 . 2]" 1
766 1 62 TRP HB3 1 75 ILE HB 0.000 . 5.000 2.010 1.859 2.433 . 0 0 "[ . 1 . 2]" 1
767 1 62 TRP HB2 1 75 ILE HB 0.000 . 5.000 2.492 1.857 2.993 . 0 0 "[ . 1 . 2]" 1
768 1 62 TRP HD1 1 75 ILE HB 0.000 . 5.000 4.448 3.927 4.876 . 0 0 "[ . 1 . 2]" 1
769 1 75 ILE HA 1 75 ILE HB 0.000 . 3.000 2.456 2.409 2.486 . 0 0 "[ . 1 . 2]" 1
770 1 75 ILE HB 1 75 ILE MD 0.000 . 3.000 2.237 2.106 2.345 . 0 0 "[ . 1 . 2]" 1
771 1 75 ILE HB 1 76 THR H 0.000 . 6.000 4.216 4.123 4.279 . 0 0 "[ . 1 . 2]" 1
772 1 62 TRP HB3 1 75 ILE MD 0.000 . 5.000 3.567 3.101 4.165 . 0 0 "[ . 1 . 2]" 1
773 1 62 TRP HB2 1 75 ILE MD 0.000 . 6.000 3.031 2.739 3.457 . 0 0 "[ . 1 . 2]" 1
774 1 75 ILE MD 1 80 ALA HA 0.000 . 3.000 2.150 1.798 2.594 . 0 0 "[ . 1 . 2]" 1
775 1 75 ILE MD 1 83 GLU QG 0.000 . 6.000 3.403 2.412 4.577 . 0 0 "[ . 1 . 2]" 1
776 1 75 ILE MD 1 93 VAL HA 0.000 . 6.000 4.921 4.541 5.372 . 0 0 "[ . 1 . 2]" 1
777 1 75 ILE HG13 1 80 ALA H 0.000 . 6.000 3.952 3.562 4.327 . 0 0 "[ . 1 . 2]" 1
778 1 62 TRP HB3 1 75 ILE MG 0.000 . 3.000 2.174 1.836 2.558 . 0 0 "[ . 1 . 2]" 1
779 1 62 TRP HB2 1 75 ILE MG 0.000 . 6.000 2.466 1.956 2.965 . 0 0 "[ . 1 . 2]" 1
780 1 65 VAL H 1 75 ILE MG 0.000 . 4.000 3.148 2.883 3.373 . 0 0 "[ . 1 . 2]" 1
781 1 74 GLU HA 1 75 ILE MG 0.000 . 5.000 3.728 3.484 3.847 . 0 0 "[ . 1 . 2]" 1
782 1 75 ILE H 1 75 ILE MG 0.000 . 4.000 2.010 1.848 2.120 . 0 0 "[ . 1 . 2]" 1
783 1 75 ILE MG 1 76 THR HA 0.000 . 5.000 4.401 4.233 4.567 . 0 0 "[ . 1 . 2]" 1
784 1 62 TRP QB 1 75 ILE H 0.000 . 5.000 2.664 2.230 3.080 . 0 0 "[ . 1 . 2]" 1
785 1 63 LEU HA 1 75 ILE H 0.000 . 6.000 4.321 4.185 4.706 . 0 0 "[ . 1 . 2]" 1
786 1 63 LEU QD 1 75 ILE H 0.000 . 6.000 3.933 3.617 4.497 . 0 0 "[ . 1 . 2]" 1
787 1 63 LEU H 1 75 ILE H 0.000 . 4.000 2.680 2.318 3.096 . 0 0 "[ . 1 . 2]" 1
788 1 64 VAL HA 1 75 ILE H 0.000 . 4.000 3.631 3.485 3.838 . 0 0 "[ . 1 . 2]" 1
789 1 64 VAL H 1 75 ILE H 0.000 . 6.000 4.598 4.433 4.823 . 0 0 "[ . 1 . 2]" 1
790 1 65 VAL HB 1 75 ILE H 0.000 . 6.000 4.870 4.237 5.892 . 0 0 "[ . 1 . 2]" 1
791 1 65 VAL QG 1 75 ILE H 0.000 . 4.000 2.837 2.264 3.282 . 0 0 "[ . 1 . 2]" 1
792 1 74 GLU HA 1 75 ILE H 0.000 . 3.000 2.284 2.205 2.383 . 0 0 "[ . 1 . 2]" 1
793 1 74 GLU HG2 1 75 ILE H 0.000 . 6.000 4.343 3.935 4.723 . 0 0 "[ . 1 . 2]" 1
794 1 75 ILE H 1 76 THR H 0.000 . 5.000 4.418 4.337 4.531 . 0 0 "[ . 1 . 2]" 1
795 1 65 VAL HB 1 76 THR HA 0.000 . 6.000 3.201 2.612 4.356 . 0 0 "[ . 1 . 2]" 1
796 1 65 VAL QG 1 76 THR HA 0.000 . 4.000 3.038 1.892 3.692 . 0 0 "[ . 1 . 2]" 1
797 1 65 VAL H 1 76 THR HA 0.000 . 6.000 2.681 2.215 3.439 . 0 0 "[ . 1 . 2]" 1
798 1 76 THR HA 1 78 GLU H 0.000 . 5.000 4.563 4.403 4.735 . 0 0 "[ . 1 . 2]" 1
799 1 67 GLU HA 1 76 THR HB 0.000 . 6.000 4.783 4.115 6.036 0.036 11 0 "[ . 1 . 2]" 1
800 1 76 THR MG 1 78 GLU H 0.000 . 5.000 4.594 4.234 4.838 . 0 0 "[ . 1 . 2]" 1
801 1 68 VAL HB 1 76 THR H 0.000 . 6.000 3.257 2.750 4.503 . 0 0 "[ . 1 . 2]" 1
802 1 68 VAL H 1 76 THR H 0.000 . 6.000 4.863 4.453 5.682 . 0 0 "[ . 1 . 2]" 1
803 1 75 ILE MD 1 76 THR H 0.000 . 6.000 4.279 4.085 4.399 . 0 0 "[ . 1 . 2]" 1
804 1 76 THR H 1 76 THR MG 0.000 . 3.000 2.227 1.858 2.727 . 0 0 "[ . 1 . 2]" 1
805 1 76 THR H 1 78 GLU H 0.000 . 6.000 5.703 5.469 5.936 . 0 0 "[ . 1 . 2]" 1
806 1 76 THR H 1 79 ALA HA 0.000 . 6.000 5.719 5.334 5.988 . 0 0 "[ . 1 . 2]" 1
807 1 76 THR H 1 79 ALA H 0.000 . 5.000 4.233 4.008 4.465 . 0 0 "[ . 1 . 2]" 1
808 1 76 THR H 1 80 ALA H 0.000 . 5.000 4.662 4.171 4.901 . 0 0 "[ . 1 . 2]" 1
809 1 64 VAL HA 1 77 LEU HA 0.000 . 6.000 3.820 3.541 4.107 . 0 0 "[ . 1 . 2]" 1
810 1 77 LEU HA 1 80 ALA H 0.000 . 6.000 3.355 3.208 3.512 . 0 0 "[ . 1 . 2]" 1
811 1 77 LEU H 1 77 LEU QD 0.000 . 5.000 3.691 3.568 3.747 . 0 0 "[ . 1 . 2]" 1
812 1 77 LEU QD 1 81 ARG QD 0.000 . 4.000 2.179 1.659 3.467 . 0 0 "[ . 1 . 2]" 1
813 1 77 LEU QD 1 88 ASN HA 0.000 . 3.000 2.559 1.886 2.931 . 0 0 "[ . 1 . 2]" 1
814 1 64 VAL HA 1 77 LEU QD 0.000 . 6.000 4.547 4.144 5.214 . 0 0 "[ . 1 . 2]" 1
815 1 77 LEU QD 1 78 GLU HB3 0.000 . 6.000 5.061 4.117 5.474 . 0 0 "[ . 1 . 2]" 1
816 1 77 LEU QD 1 81 ARG HA 0.000 . 6.000 4.533 3.925 5.065 . 0 0 "[ . 1 . 2]" 1
817 1 77 LEU QD 1 88 ASN HB3 0.000 . 6.000 4.253 3.666 5.064 . 0 0 "[ . 1 . 2]" 1
818 1 64 VAL HA 1 77 LEU H 0.000 . 5.000 4.828 4.530 5.012 0.012 8 0 "[ . 1 . 2]" 1
819 1 65 VAL QG 1 77 LEU H 0.000 . 6.000 4.197 3.618 4.669 . 0 0 "[ . 1 . 2]" 1
820 1 66 ASP QB 1 77 LEU H 0.000 . 6.000 4.984 4.736 5.144 . 0 0 "[ . 1 . 2]" 1
821 1 77 LEU H 1 79 ALA H 0.000 . 6.000 4.328 4.215 4.428 . 0 0 "[ . 1 . 2]" 1
822 1 77 LEU QD 1 78 GLU HA 0.000 . 5.000 3.469 2.334 4.072 . 0 0 "[ . 1 . 2]" 1
823 1 77 LEU HG 1 78 GLU HA 0.000 . 6.000 4.317 3.231 6.046 0.046 15 0 "[ . 1 . 2]" 1
824 1 78 GLU HA 1 78 GLU HB3 0.000 . 3.000 3.028 3.023 3.036 0.036 20 0 "[ . 1 . 2]" 1
825 1 78 GLU HA 1 78 GLU QG 0.000 . 3.000 2.408 2.297 2.774 . 0 0 "[ . 1 . 2]" 1
826 1 78 GLU HA 1 79 ALA H 0.000 . 6.000 3.579 3.569 3.585 . 0 0 "[ . 1 . 2]" 1
827 1 78 GLU HA 1 81 ARG HA 0.000 . 6.000 5.541 5.357 6.050 0.050 20 0 "[ . 1 . 2]" 1
828 1 78 GLU HA 1 81 ARG QD 0.000 . 5.000 2.209 1.752 3.749 . 0 0 "[ . 1 . 2]" 1
829 1 78 GLU HA 1 81 ARG QG 0.000 . 6.000 3.807 2.038 4.368 . 0 0 "[ . 1 . 2]" 1
830 1 76 THR HB 1 78 GLU H 0.000 . 6.000 3.111 2.697 3.496 . 0 0 "[ . 1 . 2]" 1
831 1 77 LEU QD 1 78 GLU H 0.000 . 4.000 3.317 2.411 3.726 . 0 0 "[ . 1 . 2]" 1
832 1 77 LEU H 1 78 GLU H 0.000 . 4.000 2.804 2.671 2.919 . 0 0 "[ . 1 . 2]" 1
833 1 78 GLU H 1 78 GLU HB3 0.000 . 3.000 2.737 2.620 2.813 . 0 0 "[ . 1 . 2]" 1
834 1 78 GLU H 1 78 GLU QG 0.000 . 5.000 3.977 3.927 4.099 . 0 0 "[ . 1 . 2]" 1
835 1 78 GLU H 1 79 ALA H 0.000 . 4.000 2.891 2.763 2.982 . 0 0 "[ . 1 . 2]" 1
836 1 78 GLU H 1 80 ALA H 0.000 . 5.000 4.100 3.936 4.264 . 0 0 "[ . 1 . 2]" 1
837 1 75 ILE MD 1 79 ALA HA 0.000 . 6.000 4.132 3.679 4.496 . 0 0 "[ . 1 . 2]" 1
838 1 78 GLU QG 1 79 ALA HA 0.000 . 5.000 3.797 3.521 3.988 . 0 0 "[ . 1 . 2]" 1
839 1 79 ALA HA 1 80 ALA H 0.000 . 6.000 3.543 3.511 3.569 . 0 0 "[ . 1 . 2]" 1
840 1 79 ALA HA 1 82 TYR QB 0.000 . 5.000 2.718 2.299 2.899 . 0 0 "[ . 1 . 2]" 1
841 1 79 ALA HA 1 82 TYR QD 0.000 . 6.000 2.003 1.856 2.572 . 0 0 "[ . 1 . 2]" 1
842 1 79 ALA HA 1 82 TYR QE 0.000 . 4.000 3.774 3.583 4.027 0.027 20 0 "[ . 1 . 2]" 1
843 1 75 ILE HA 1 79 ALA MB 0.000 . 5.000 3.673 3.409 4.022 . 0 0 "[ . 1 . 2]" 1
844 1 75 ILE MD 1 79 ALA MB 0.000 . 3.000 2.435 2.027 2.825 . 0 0 "[ . 1 . 2]" 1
845 1 76 THR HB 1 79 ALA MB 0.000 . 6.000 3.938 3.337 4.547 . 0 0 "[ . 1 . 2]" 1
846 1 78 GLU HB3 1 79 ALA MB 0.000 . 6.000 3.863 3.759 3.948 . 0 0 "[ . 1 . 2]" 1
847 1 78 GLU QG 1 79 ALA MB 0.000 . 5.000 4.494 4.095 4.712 . 0 0 "[ . 1 . 2]" 1
848 1 79 ALA MB 1 80 ALA H 0.000 . 4.000 2.593 2.403 2.769 . 0 0 "[ . 1 . 2]" 1
849 1 79 ALA MB 1 82 TYR QD 0.000 . 5.000 3.507 3.264 3.777 . 0 0 "[ . 1 . 2]" 1
850 1 79 ALA MB 1 82 TYR QE 0.000 . 6.000 4.611 4.391 4.821 . 0 0 "[ . 1 . 2]" 1
851 1 79 ALA MB 1 83 GLU QB 0.000 . 6.000 4.649 4.238 4.950 . 0 0 "[ . 1 . 2]" 1
852 1 75 ILE MD 1 79 ALA H 0.000 . 6.000 4.779 4.502 4.986 . 0 0 "[ . 1 . 2]" 1
853 1 75 ILE HG13 1 79 ALA H 0.000 . 6.000 4.607 4.338 4.991 . 0 0 "[ . 1 . 2]" 1
854 1 76 THR HB 1 79 ALA H 0.000 . 6.000 3.393 2.772 3.986 . 0 0 "[ . 1 . 2]" 1
855 1 77 LEU QB 1 79 ALA H 0.000 . 6.000 4.807 4.698 4.966 . 0 0 "[ . 1 . 2]" 1
856 1 78 GLU QG 1 79 ALA H 0.000 . 6.000 3.635 3.419 3.839 . 0 0 "[ . 1 . 2]" 1
857 1 79 ALA H 1 80 ALA H 0.000 . 6.000 2.711 2.547 2.799 . 0 0 "[ . 1 . 2]" 1
858 1 79 ALA H 1 82 TYR H 0.000 . 6.000 4.873 4.713 4.938 . 0 0 "[ . 1 . 2]" 1
859 1 80 ALA HA 1 81 ARG H 0.000 . 5.000 3.552 3.508 3.589 . 0 0 "[ . 1 . 2]" 1
860 1 64 VAL HA 1 80 ALA MB 0.000 . 5.000 3.138 2.838 3.622 . 0 0 "[ . 1 . 2]" 1
861 1 75 ILE MD 1 80 ALA MB 0.000 . 4.000 3.011 2.766 3.210 . 0 0 "[ . 1 . 2]" 1
862 1 75 ILE H 1 80 ALA MB 0.000 . 6.000 5.454 5.175 5.823 . 0 0 "[ . 1 . 2]" 1
863 1 75 ILE MD 1 80 ALA H 0.000 . 4.000 3.269 3.028 3.554 . 0 0 "[ . 1 . 2]" 1
864 1 78 GLU QG 1 80 ALA H 0.000 . 6.000 5.203 5.070 5.385 . 0 0 "[ . 1 . 2]" 1
865 1 80 ALA H 1 81 ARG HA 0.000 . 6.000 5.348 5.249 5.449 . 0 0 "[ . 1 . 2]" 1
866 1 80 ALA H 1 81 ARG HB3 0.000 . 6.000 6.088 4.942 6.329 0.329 6 0 "[ . 1 . 2]" 1
867 1 80 ALA H 1 81 ARG QD 0.000 . 5.000 4.436 4.018 4.734 . 0 0 "[ . 1 . 2]" 1
868 1 80 ALA H 1 81 ARG QG 0.000 . 6.000 4.924 3.702 5.962 . 0 0 "[ . 1 . 2]" 1
869 1 80 ALA H 1 82 TYR H 0.000 . 5.000 4.176 3.896 4.343 . 0 0 "[ . 1 . 2]" 1
870 1 80 ALA H 1 87 LEU HB3 0.000 . 6.000 5.939 5.614 6.764 0.764 20 1 "[ . 1 . +]" 1
871 1 80 ALA MB 1 81 ARG QD 0.000 . 5.000 3.588 2.468 4.385 . 0 0 "[ . 1 . 2]" 1
872 1 81 ARG HA 1 81 ARG QD 0.000 . 5.000 3.629 2.175 4.189 . 0 0 "[ . 1 . 2]" 1
873 1 81 ARG H 1 81 ARG QD 0.000 . 6.000 2.791 2.036 3.091 . 0 0 "[ . 1 . 2]" 1
874 1 81 ARG QD 1 82 TYR H 0.000 . 5.000 4.224 3.572 4.451 . 0 0 "[ . 1 . 2]" 1
875 1 81 ARG QD 1 85 GLU HA 0.000 . 6.000 4.470 3.431 4.860 . 0 0 "[ . 1 . 2]" 1
876 1 75 ILE MD 1 81 ARG H 0.000 . 6.000 4.812 4.491 5.108 . 0 0 "[ . 1 . 2]" 1
877 1 77 LEU QB 1 81 ARG H 0.000 . 6.000 5.276 4.822 5.518 . 0 0 "[ . 1 . 2]" 1
878 1 78 GLU HA 1 81 ARG H 0.000 . 4.000 3.440 3.263 3.822 . 0 0 "[ . 1 . 2]" 1
879 1 78 GLU H 1 81 ARG H 0.000 . 6.000 4.808 4.694 4.922 . 0 0 "[ . 1 . 2]" 1
880 1 79 ALA HA 1 81 ARG H 0.000 . 5.000 4.326 3.965 4.714 . 0 0 "[ . 1 . 2]" 1
881 1 79 ALA H 1 81 ARG H 0.000 . 5.000 4.244 4.061 4.473 . 0 0 "[ . 1 . 2]" 1
882 1 80 ALA H 1 81 ARG H 0.000 . 3.000 2.702 2.574 2.845 . 0 0 "[ . 1 . 2]" 1
883 1 81 ARG H 1 82 TYR H 0.000 . 3.000 2.661 2.503 2.895 . 0 0 "[ . 1 . 2]" 1
884 1 81 ARG H 1 84 ASP H 0.000 . 5.000 4.501 4.367 4.650 . 0 0 "[ . 1 . 2]" 1
885 1 81 ARG H 1 85 GLU HA 0.000 . 5.000 4.645 4.295 4.843 . 0 0 "[ . 1 . 2]" 1
886 1 81 ARG H 1 87 LEU H 0.000 . 6.000 5.813 4.916 6.009 0.009 7 0 "[ . 1 . 2]" 1
887 1 82 TYR HA 1 82 TYR QD 0.000 . 4.000 1.885 1.806 1.969 . 0 0 "[ . 1 . 2]" 1
888 1 82 TYR HA 1 82 TYR QE 0.000 . 6.000 4.179 4.144 4.249 . 0 0 "[ . 1 . 2]" 1
889 1 79 ALA MB 1 82 TYR QB 0.000 . 4.000 3.870 3.567 3.981 . 0 0 "[ . 1 . 2]" 1
890 1 78 GLU QG 1 82 TYR QE 0.000 . 4.000 2.155 1.995 2.396 . 0 0 "[ . 1 . 2]" 1
891 1 78 GLU HA 1 82 TYR H 0.000 . 6.000 4.410 4.198 4.616 . 0 0 "[ . 1 . 2]" 1
892 1 79 ALA HA 1 82 TYR H 0.000 . 4.000 3.349 3.180 3.536 . 0 0 "[ . 1 . 2]" 1
893 1 80 ALA HA 1 82 TYR H 0.000 . 5.000 4.427 4.226 4.616 . 0 0 "[ . 1 . 2]" 1
894 1 81 ARG HB3 1 82 TYR H 0.000 . 4.000 3.502 3.108 4.026 0.026 20 0 "[ . 1 . 2]" 1
895 1 81 ARG QG 1 82 TYR H 0.000 . 6.000 4.052 2.021 4.494 . 0 0 "[ . 1 . 2]" 1
896 1 82 TYR H 1 82 TYR QB 0.000 . 3.000 2.413 2.347 2.503 . 0 0 "[ . 1 . 2]" 1
897 1 82 TYR H 1 82 TYR QD 0.000 . 4.000 3.157 2.659 3.346 . 0 0 "[ . 1 . 2]" 1
898 1 82 TYR H 1 82 TYR QE 0.000 . 6.000 4.537 4.285 4.762 . 0 0 "[ . 1 . 2]" 1
899 1 82 TYR H 1 83 GLU QB 0.000 . 5.000 4.659 4.344 4.834 . 0 0 "[ . 1 . 2]" 1
900 1 82 TYR H 1 84 ASP H 0.000 . 5.000 3.946 3.711 4.507 . 0 0 "[ . 1 . 2]" 1
901 1 82 TYR H 1 85 GLU HA 0.000 . 6.000 5.221 4.601 5.421 . 0 0 "[ . 1 . 2]" 1
902 1 82 TYR QB 1 83 GLU HA 0.000 . 6.000 3.961 3.913 4.071 . 0 0 "[ . 1 . 2]" 1
903 1 83 GLU HA 1 84 ASP H 0.000 . 4.000 3.512 3.422 3.602 . 0 0 "[ . 1 . 2]" 1
904 1 75 ILE MD 1 83 GLU H 0.000 . 6.000 4.059 3.513 4.633 . 0 0 "[ . 1 . 2]" 1
905 1 79 ALA HA 1 83 GLU H 0.000 . 5.000 4.317 4.174 4.475 . 0 0 "[ . 1 . 2]" 1
906 1 80 ALA HA 1 83 GLU H 0.000 . 4.000 3.475 3.323 3.660 . 0 0 "[ . 1 . 2]" 1
907 1 81 ARG HB3 1 83 GLU H 0.000 . 6.000 5.478 5.225 6.010 0.010 20 0 "[ . 1 . 2]" 1
908 1 81 ARG H 1 83 GLU H 0.000 . 5.000 4.144 3.653 4.387 . 0 0 "[ . 1 . 2]" 1
909 1 82 TYR QB 1 83 GLU H 0.000 . 4.000 2.597 2.424 3.012 . 0 0 "[ . 1 . 2]" 1
910 1 82 TYR QD 1 83 GLU H 0.000 . 5.000 4.414 4.314 4.539 . 0 0 "[ . 1 . 2]" 1
911 1 83 GLU H 1 84 ASP H 0.000 . 3.000 2.417 2.281 2.516 . 0 0 "[ . 1 . 2]" 1
912 1 83 GLU H 1 85 GLU HA 0.000 . 6.000 5.856 4.819 6.008 0.008 8 0 "[ . 1 . 2]" 1
913 1 83 GLU H 1 84 ASP HA 0.000 . 6.000 5.028 4.889 5.131 . 0 0 "[ . 1 . 2]" 1
914 1 84 ASP HA 1 85 GLU HA 0.000 . 6.000 4.577 4.498 5.164 . 0 0 "[ . 1 . 2]" 1
915 1 84 ASP HA 1 85 GLU QB 0.000 . 5.000 4.339 4.011 4.471 . 0 0 "[ . 1 . 2]" 1
916 1 84 ASP HA 1 87 LEU HG 0.000 . 5.000 4.295 4.059 4.848 . 0 0 "[ . 1 . 2]" 1
917 1 80 ALA HA 1 84 ASP H 0.000 . 6.000 3.991 3.726 4.521 . 0 0 "[ . 1 . 2]" 1
918 1 80 ALA MB 1 84 ASP H 0.000 . 6.000 4.433 4.219 4.856 . 0 0 "[ . 1 . 2]" 1
919 1 81 ARG HB3 1 84 ASP H 0.000 . 6.000 5.172 4.913 5.428 . 0 0 "[ . 1 . 2]" 1
920 1 83 GLU QB 1 84 ASP H 0.000 . 6.000 2.762 2.270 3.068 . 0 0 "[ . 1 . 2]" 1
921 1 83 GLU QG 1 84 ASP H 0.000 . 6.000 3.974 3.546 4.220 . 0 0 "[ . 1 . 2]" 1
922 1 84 ASP H 1 85 GLU QG 0.000 . 6.000 4.983 4.133 5.989 . 0 0 "[ . 1 . 2]" 1
923 1 84 ASP H 1 86 SER H 0.000 . 5.000 4.843 3.567 4.977 . 0 0 "[ . 1 . 2]" 1
924 1 85 GLU HA 1 87 LEU MD1 0.000 . 6.000 5.042 4.826 5.833 . 0 0 "[ . 1 . 2]" 1
925 1 83 GLU H 1 85 GLU H 0.000 . 6.000 5.462 3.152 5.773 . 0 0 "[ . 1 . 2]" 1
926 1 84 ASP HA 1 85 GLU H 0.000 . 3.000 2.293 2.205 3.201 0.201 12 0 "[ . 1 . 2]" 1
927 1 84 ASP HB2 1 85 GLU H 0.000 . 6.000 4.574 4.351 4.644 . 0 0 "[ . 1 . 2]" 1
928 1 84 ASP H 1 85 GLU H 0.000 . 4.000 3.462 1.963 3.738 . 0 0 "[ . 1 . 2]" 1
929 1 85 GLU H 1 86 SER QB 0.000 . 5.000 4.841 4.622 4.978 . 0 0 "[ . 1 . 2]" 1
930 1 85 GLU H 1 86 SER H 0.000 . 4.000 2.783 2.674 2.946 . 0 0 "[ . 1 . 2]" 1
931 1 85 GLU H 1 87 LEU MD1 0.000 . 5.000 4.968 4.651 5.010 0.010 16 0 "[ . 1 . 2]" 1
932 1 85 GLU H 1 87 LEU HG 0.000 . 6.000 4.917 4.156 5.130 . 0 0 "[ . 1 . 2]" 1
933 1 85 GLU H 1 87 LEU H 0.000 . 5.000 4.269 4.209 4.367 . 0 0 "[ . 1 . 2]" 1
934 1 84 ASP HB2 1 86 SER H 0.000 . 6.000 4.416 4.232 4.571 . 0 0 "[ . 1 . 2]" 1
935 1 85 GLU HA 1 86 SER H 0.000 . 4.000 3.444 2.987 3.491 . 0 0 "[ . 1 . 2]" 1
936 1 85 GLU QB 1 86 SER H 0.000 . 6.000 3.055 2.888 3.785 . 0 0 "[ . 1 . 2]" 1
937 1 86 SER H 1 86 SER QB 0.000 . 3.000 2.454 2.326 2.802 . 0 0 "[ . 1 . 2]" 1
938 1 86 SER H 1 87 LEU HB3 0.000 . 6.000 6.115 5.140 6.243 0.243 6 0 "[ . 1 . 2]" 1
939 1 86 SER H 1 87 LEU MD1 0.000 . 5.000 4.785 4.291 4.926 . 0 0 "[ . 1 . 2]" 1
940 1 86 SER H 1 87 LEU MD2 0.000 . 5.000 4.664 3.606 4.881 . 0 0 "[ . 1 . 2]" 1
941 1 86 SER H 1 87 LEU H 0.000 . 3.000 2.599 1.918 2.673 . 0 0 "[ . 1 . 2]" 1
942 1 87 LEU HA 1 91 ASP HB3 0.000 . 6.000 3.428 3.165 4.559 . 0 0 "[ . 1 . 2]" 1
943 1 87 LEU HB3 1 91 ASP HB3 0.000 . 6.000 3.561 2.846 4.808 . 0 0 "[ . 1 . 2]" 1
944 1 75 ILE MD 1 87 LEU MD1 0.000 . 6.000 3.329 2.748 4.029 . 0 0 "[ . 1 . 2]" 1
945 1 81 ARG HA 1 87 LEU MD1 0.000 . 5.000 4.175 3.797 4.550 . 0 0 "[ . 1 . 2]" 1
946 1 84 ASP HA 1 87 LEU MD1 0.000 . 5.000 4.114 3.957 5.019 0.019 12 0 "[ . 1 . 2]" 1
947 1 84 ASP H 1 87 LEU MD1 0.000 . 5.000 2.730 2.485 3.298 . 0 0 "[ . 1 . 2]" 1
948 1 87 LEU H 1 87 LEU MD1 0.000 . 4.000 3.544 3.442 3.919 . 0 0 "[ . 1 . 2]" 1
949 1 77 LEU QD 1 87 LEU H 0.000 . 6.000 5.272 4.471 5.795 . 0 0 "[ . 1 . 2]" 1
950 1 84 ASP HA 1 87 LEU H 0.000 . 6.000 4.662 4.390 5.951 . 0 0 "[ . 1 . 2]" 1
951 1 84 ASP HB2 1 87 LEU H 0.000 . 6.000 4.356 3.670 5.467 . 0 0 "[ . 1 . 2]" 1
952 1 84 ASP H 1 87 LEU H 0.000 . 6.000 4.601 4.471 4.901 . 0 0 "[ . 1 . 2]" 1
953 1 85 GLU HA 1 87 LEU H 0.000 . 4.000 3.457 3.274 3.929 . 0 0 "[ . 1 . 2]" 1
954 1 85 GLU QB 1 87 LEU H 0.000 . 6.000 4.489 4.363 5.244 . 0 0 "[ . 1 . 2]" 1
955 1 86 SER QB 1 87 LEU H 0.000 . 4.000 3.555 2.864 3.863 . 0 0 "[ . 1 . 2]" 1
956 1 87 LEU H 1 88 ASN HA 0.000 . 6.000 5.323 5.101 5.525 . 0 0 "[ . 1 . 2]" 1
957 1 77 LEU QD 1 88 ASN H 0.000 . 5.000 4.445 4.131 4.784 . 0 0 "[ . 1 . 2]" 1
958 1 80 ALA MB 1 88 ASN H 0.000 . 5.000 4.407 4.175 5.007 0.007 20 0 "[ . 1 . 2]" 1
959 1 87 LEU HA 1 88 ASN H 0.000 . 3.000 2.268 2.227 2.302 . 0 0 "[ . 1 . 2]" 1
960 1 87 LEU HB3 1 88 ASN H 0.000 . 5.000 2.999 2.884 3.136 . 0 0 "[ . 1 . 2]" 1
961 1 87 LEU MD1 1 88 ASN H 0.000 . 5.000 4.887 4.772 4.995 . 0 0 "[ . 1 . 2]" 1
962 1 88 ASN H 1 88 ASN HB3 0.000 . 4.000 3.530 2.818 3.914 . 0 0 "[ . 1 . 2]" 1
963 1 88 ASN H 1 88 ASN HD21 0.000 . 6.000 4.546 3.936 4.994 . 0 0 "[ . 1 . 2]" 1
964 1 88 ASN H 1 88 ASN HD22 0.000 . 6.000 4.969 4.103 6.003 0.003 6 0 "[ . 1 . 2]" 1
965 1 88 ASN H 1 89 LEU H 0.000 . 5.000 4.434 4.351 4.515 . 0 0 "[ . 1 . 2]" 1
966 1 88 ASN H 1 91 ASP HB3 0.000 . 6.000 2.870 2.174 3.713 . 0 0 "[ . 1 . 2]" 1
967 1 88 ASN H 1 91 ASP H 0.000 . 5.000 3.809 3.538 4.577 . 0 0 "[ . 1 . 2]" 1
968 1 64 VAL HA 1 89 LEU HA 0.000 . 6.000 4.591 4.222 4.807 . 0 0 "[ . 1 . 2]" 1
969 1 64 VAL HB 1 89 LEU HA 0.000 . 3.000 2.310 1.864 2.605 . 0 0 "[ . 1 . 2]" 1
970 1 64 VAL MG2 1 89 LEU HA 0.000 . 4.000 3.750 3.348 3.997 . 0 0 "[ . 1 . 2]" 1
971 1 66 ASP HA 1 89 LEU HA 0.000 . 6.000 5.789 5.430 6.058 0.058 13 0 "[ . 1 . 2]" 1
972 1 77 LEU QB 1 89 LEU HA 0.000 . 6.000 4.233 3.701 5.325 . 0 0 "[ . 1 . 2]" 1
973 1 88 ASN HA 1 89 LEU HA 0.000 . 6.000 4.366 4.322 4.385 . 0 0 "[ . 1 . 2]" 1
974 1 64 VAL HB 1 89 LEU HB3 0.000 . 6.000 4.917 4.385 5.217 . 0 0 "[ . 1 . 2]" 1
975 1 66 ASP QB 1 89 LEU HB3 0.000 . 6.000 4.993 4.665 5.401 . 0 0 "[ . 1 . 2]" 1
976 1 77 LEU HA 1 89 LEU QD 0.000 . 6.000 3.289 2.967 3.953 . 0 0 "[ . 1 . 2]" 1
977 1 77 LEU H 1 89 LEU QD 0.000 . 5.000 3.466 3.173 3.754 . 0 0 "[ . 1 . 2]" 1
978 1 88 ASN HA 1 89 LEU QD 0.000 . 6.000 3.977 2.973 4.708 . 0 0 "[ . 1 . 2]" 1
979 1 89 LEU HA 1 89 LEU QD 0.000 . 3.000 1.889 1.684 2.786 . 0 0 "[ . 1 . 2]" 1
980 1 89 LEU H 1 89 LEU QD 0.000 . 3.000 2.718 1.748 3.055 0.055 16 0 "[ . 1 . 2]" 1
981 1 89 LEU QD 1 91 ASP H 0.000 . 6.000 4.020 3.829 4.423 . 0 0 "[ . 1 . 2]" 1
982 1 66 ASP HA 1 89 LEU QD 0.000 . 6.000 2.519 2.089 2.841 . 0 0 "[ . 1 . 2]" 1
983 1 89 LEU QD 1 90 GLY H 0.000 . 4.000 2.298 1.971 3.257 . 0 0 "[ . 1 . 2]" 1
984 1 64 VAL MG1 1 89 LEU H 0.000 . 6.000 3.170 2.588 3.489 . 0 0 "[ . 1 . 2]" 1
985 1 77 LEU HA 1 89 LEU H 0.000 . 6.000 5.591 5.088 5.996 . 0 0 "[ . 1 . 2]" 1
986 1 88 ASN HA 1 89 LEU H 0.000 . 3.000 2.551 2.204 2.765 . 0 0 "[ . 1 . 2]" 1
987 1 88 ASN HB3 1 89 LEU H 0.000 . 4.000 2.840 2.174 3.877 . 0 0 "[ . 1 . 2]" 1
988 1 89 LEU H 1 90 GLY H 0.000 . 5.000 4.577 4.502 4.654 . 0 0 "[ . 1 . 2]" 1
989 1 63 LEU HA 1 90 GLY H 0.000 . 6.000 5.550 5.025 5.956 . 0 0 "[ . 1 . 2]" 1
990 1 63 LEU QD 1 90 GLY H 0.000 . 4.000 2.883 2.185 3.591 . 0 0 "[ . 1 . 2]" 1
991 1 63 LEU HG 1 90 GLY H 0.000 . 6.000 4.685 3.543 5.668 . 0 0 "[ . 1 . 2]" 1
992 1 64 VAL HA 1 90 GLY H 0.000 . 6.000 4.661 4.339 5.004 . 0 0 "[ . 1 . 2]" 1
993 1 64 VAL HB 1 90 GLY H 0.000 . 4.000 2.150 1.860 2.656 . 0 0 "[ . 1 . 2]" 1
994 1 65 VAL HA 1 90 GLY H 0.000 . 6.000 4.232 3.846 4.714 . 0 0 "[ . 1 . 2]" 1
995 1 89 LEU HA 1 90 GLY H 0.000 . 3.000 2.208 2.187 2.325 . 0 0 "[ . 1 . 2]" 1
996 1 89 LEU HB3 1 90 GLY H 0.000 . 4.000 3.618 3.010 3.859 . 0 0 "[ . 1 . 2]" 1
997 1 89 LEU HG 1 90 GLY H 0.000 . 6.000 4.654 2.746 5.261 . 0 0 "[ . 1 . 2]" 1
998 1 90 GLY H 1 91 ASP HB3 0.000 . 6.000 5.643 4.770 6.364 0.364 16 0 "[ . 1 . 2]" 1
999 1 90 GLY H 1 91 ASP H 0.000 . 3.000 2.406 2.160 2.649 . 0 0 "[ . 1 . 2]" 1
1000 1 64 VAL MG2 1 91 ASP HA 0.000 . 6.000 3.767 3.470 4.160 . 0 0 "[ . 1 . 2]" 1
1001 1 91 ASP HA 1 91 ASP HB3 0.000 . 3.000 2.684 2.473 3.030 0.030 10 0 "[ . 1 . 2]" 1
1002 1 91 ASP HA 1 92 TYR QD 0.000 . 5.000 3.502 3.191 3.750 . 0 0 "[ . 1 . 2]" 1
1003 1 64 VAL MG2 1 91 ASP HB3 0.000 . 6.000 2.663 1.779 3.472 . 0 0 "[ . 1 . 2]" 1
1004 1 63 LEU QD 1 91 ASP H 0.000 . 4.000 3.356 2.982 3.876 . 0 0 "[ . 1 . 2]" 1
1005 1 64 VAL HA 1 91 ASP H 0.000 . 6.000 5.069 4.714 5.527 . 0 0 "[ . 1 . 2]" 1
1006 1 64 VAL HB 1 91 ASP H 0.000 . 4.000 2.267 1.921 2.840 . 0 0 "[ . 1 . 2]" 1
1007 1 88 ASN HB3 1 91 ASP H 0.000 . 6.000 5.306 4.215 5.985 . 0 0 "[ . 1 . 2]" 1
1008 1 89 LEU HA 1 91 ASP H 0.000 . 4.000 3.367 3.052 3.477 . 0 0 "[ . 1 . 2]" 1
1009 1 90 GLY HA3 1 91 ASP H 0.000 . 4.000 3.265 3.088 3.340 . 0 0 "[ . 1 . 2]" 1
1010 1 91 ASP H 1 92 TYR QD 0.000 . 6.000 5.709 5.443 5.984 . 0 0 "[ . 1 . 2]" 1
1011 1 63 LEU HB3 1 92 TYR HA 0.000 . 6.000 5.238 4.856 5.407 . 0 0 "[ . 1 . 2]" 1
1012 1 63 LEU HG 1 92 TYR HA 0.000 . 6.000 5.052 4.145 5.578 . 0 0 "[ . 1 . 2]" 1
1013 1 64 VAL MG2 1 92 TYR HA 0.000 . 4.000 3.434 3.137 3.631 . 0 0 "[ . 1 . 2]" 1
1014 1 91 ASP HA 1 92 TYR HA 0.000 . 6.000 4.459 4.418 4.520 . 0 0 "[ . 1 . 2]" 1
1015 1 92 TYR HA 1 92 TYR QD 0.000 . 3.000 2.774 2.645 2.902 . 0 0 "[ . 1 . 2]" 1
1016 1 92 TYR HA 1 92 TYR QE 0.000 . 5.000 4.523 4.427 4.631 . 0 0 "[ . 1 . 2]" 1
1017 1 61 ARG HA 1 92 TYR QD 0.000 . 6.000 5.907 5.482 6.008 0.008 19 0 "[ . 1 . 2]" 1
1018 1 62 TRP H 1 92 TYR QD 0.000 . 6.000 4.408 3.961 4.588 . 0 0 "[ . 1 . 2]" 1
1019 1 92 TYR QD 1 93 VAL H 0.000 . 6.000 3.951 3.603 4.211 . 0 0 "[ . 1 . 2]" 1
1020 1 91 ASP HA 1 92 TYR QE 0.000 . 6.000 4.474 4.054 4.938 . 0 0 "[ . 1 . 2]" 1
1021 1 63 LEU HA 1 92 TYR H 0.000 . 6.000 4.883 4.564 5.041 . 0 0 "[ . 1 . 2]" 1
1022 1 63 LEU QD 1 92 TYR H 0.000 . 5.000 4.080 3.546 4.698 . 0 0 "[ . 1 . 2]" 1
1023 1 64 VAL MG2 1 92 TYR H 0.000 . 4.000 3.865 3.479 4.024 0.024 6 0 "[ . 1 . 2]" 1
1024 1 64 VAL H 1 92 TYR H 0.000 . 6.000 4.803 4.524 5.127 . 0 0 "[ . 1 . 2]" 1
1025 1 88 ASN H 1 92 TYR H 0.000 . 6.000 5.488 5.009 6.000 0.000 12 0 "[ . 1 . 2]" 1
1026 1 91 ASP HA 1 92 TYR H 0.000 . 5.000 2.450 2.324 2.645 . 0 0 "[ . 1 . 2]" 1
1027 1 91 ASP HB3 1 92 TYR H 0.000 . 6.000 2.773 2.072 3.719 . 0 0 "[ . 1 . 2]" 1
1028 1 91 ASP H 1 92 TYR H 0.000 . 5.000 4.595 4.476 4.652 . 0 0 "[ . 1 . 2]" 1
1029 1 92 TYR H 1 92 TYR QD 0.000 . 4.000 2.773 2.469 3.212 . 0 0 "[ . 1 . 2]" 1
1030 1 92 TYR H 1 92 TYR QE 0.000 . 6.000 4.754 4.411 5.144 . 0 0 "[ . 1 . 2]" 1
1031 1 92 TYR H 1 93 VAL HA 0.000 . 6.000 4.932 4.748 5.129 . 0 0 "[ . 1 . 2]" 1
1032 1 92 TYR H 1 93 VAL H 0.000 . 5.000 4.468 4.287 4.570 . 0 0 "[ . 1 . 2]" 1
1033 1 80 ALA MB 1 93 VAL HA 0.000 . 6.000 5.304 4.932 5.819 . 0 0 "[ . 1 . 2]" 1
1034 1 61 ARG HA 1 93 VAL HB 0.000 . 6.000 4.594 3.863 5.639 . 0 0 "[ . 1 . 2]" 1
1035 1 75 ILE MD 1 93 VAL MG1 0.000 . 3.000 2.515 1.813 2.971 . 0 0 "[ . 1 . 2]" 1
1036 1 92 TYR HA 1 93 VAL MG1 0.000 . 6.000 5.102 3.922 5.503 . 0 0 "[ . 1 . 2]" 1
1037 1 93 VAL MG1 1 94 GLU H 0.000 . 4.000 2.443 1.818 3.567 . 0 0 "[ . 1 . 2]" 1
1038 1 93 VAL MG1 1 95 ASP HB3 0.000 . 6.000 4.948 4.659 5.697 . 0 0 "[ . 1 . 2]" 1
1039 1 61 ARG HA 1 93 VAL H 0.000 . 6.000 4.460 4.067 4.669 . 0 0 "[ . 1 . 2]" 1
1040 1 62 TRP HA 1 93 VAL H 0.000 . 6.000 4.411 4.243 4.543 . 0 0 "[ . 1 . 2]" 1
1041 1 62 TRP QB 1 93 VAL H 0.000 . 4.000 3.392 2.946 3.792 . 0 0 "[ . 1 . 2]" 1
1042 1 63 LEU HA 1 93 VAL H 0.000 . 5.000 3.440 3.282 3.661 . 0 0 "[ . 1 . 2]" 1
1043 1 63 LEU QD 1 93 VAL H 0.000 . 6.000 4.485 3.965 5.226 . 0 0 "[ . 1 . 2]" 1
1044 1 64 VAL H 1 93 VAL H 0.000 . 5.000 4.374 4.074 4.851 . 0 0 "[ . 1 . 2]" 1
1045 1 75 ILE MD 1 93 VAL H 0.000 . 6.000 4.681 4.281 5.145 . 0 0 "[ . 1 . 2]" 1
1046 1 80 ALA MB 1 93 VAL H 0.000 . 6.000 5.475 5.040 5.965 . 0 0 "[ . 1 . 2]" 1
1047 1 92 TYR HA 1 93 VAL H 0.000 . 3.000 2.243 2.191 2.424 . 0 0 "[ . 1 . 2]" 1
1048 1 92 TYR QB 1 93 VAL H 0.000 . 6.000 3.045 2.489 3.350 . 0 0 "[ . 1 . 2]" 1
1049 1 93 VAL H 1 94 GLU HA 0.000 . 6.000 5.091 4.843 5.285 . 0 0 "[ . 1 . 2]" 1
1050 1 93 VAL H 1 94 GLU H 0.000 . 5.000 4.570 4.472 4.622 . 0 0 "[ . 1 . 2]" 1
1051 1 61 ARG QG 1 94 GLU HA 0.000 . 6.000 4.765 3.229 5.342 . 0 0 "[ . 1 . 2]" 1
1052 1 59 PHE QD 1 94 GLU QB 0.000 . 6.000 4.669 3.717 5.593 . 0 0 "[ . 1 . 2]" 1
1053 1 61 ARG HA 1 94 GLU QB 0.000 . 6.000 4.514 4.218 4.788 . 0 0 "[ . 1 . 2]" 1
1054 1 61 ARG HA 1 94 GLU HG2 0.000 . 6.000 4.243 3.132 5.449 . 0 0 "[ . 1 . 2]" 1
1055 1 61 ARG HA 1 94 GLU H 0.000 . 6.000 4.693 4.359 5.158 . 0 0 "[ . 1 . 2]" 1
1056 1 75 ILE MD 1 94 GLU H 0.000 . 6.000 5.728 5.302 6.003 0.003 19 0 "[ . 1 . 2]" 1
1057 1 84 ASP HB2 1 94 GLU H 0.000 . 6.000 5.911 5.363 6.145 0.145 5 0 "[ . 1 . 2]" 1
1058 1 93 VAL HA 1 94 GLU H 0.000 . 4.000 2.285 2.197 2.412 . 0 0 "[ . 1 . 2]" 1
1059 1 59 PHE HA 1 95 ASP HA 0.000 . 6.000 5.618 5.274 5.788 . 0 0 "[ . 1 . 2]" 1
1060 1 59 PHE QE 1 95 ASP HA 0.000 . 6.000 5.910 5.474 6.014 0.014 15 0 "[ . 1 . 2]" 1
1061 1 94 GLU HA 1 95 ASP HA 0.000 . 6.000 4.541 4.515 4.578 . 0 0 "[ . 1 . 2]" 1
1062 1 95 ASP HA 1 97 ILE MG 0.000 . 6.000 4.895 4.708 5.026 . 0 0 "[ . 1 . 2]" 1
1063 1 59 PHE QD 1 95 ASP HB3 0.000 . 6.000 5.490 5.180 5.816 . 0 0 "[ . 1 . 2]" 1
1064 1 94 GLU HA 1 95 ASP HB3 0.000 . 6.000 4.777 4.539 5.668 . 0 0 "[ . 1 . 2]" 1
1065 1 95 ASP QB 1 96 GLN H 0.000 . 5.000 3.394 2.760 3.547 . 0 0 "[ . 1 . 2]" 1
1066 1 59 PHE HA 1 95 ASP H 0.000 . 5.000 4.481 4.004 4.707 . 0 0 "[ . 1 . 2]" 1
1067 1 61 ARG HA 1 95 ASP H 0.000 . 5.000 3.690 3.421 4.088 . 0 0 "[ . 1 . 2]" 1
1068 1 61 ARG H 1 95 ASP H 0.000 . 6.000 5.084 4.820 5.307 . 0 0 "[ . 1 . 2]" 1
1069 1 62 TRP H 1 95 ASP H 0.000 . 6.000 5.695 5.465 6.009 0.009 18 0 "[ . 1 . 2]" 1
1070 1 94 GLU HA 1 95 ASP H 0.000 . 3.000 2.316 2.267 2.391 . 0 0 "[ . 1 . 2]" 1
1071 1 94 GLU QB 1 95 ASP H 0.000 . 6.000 2.906 2.565 3.585 . 0 0 "[ . 1 . 2]" 1
1072 1 94 GLU H 1 95 ASP H 0.000 . 6.000 4.521 4.474 4.586 . 0 0 "[ . 1 . 2]" 1
1073 1 95 ASP H 1 97 ILE MG 0.000 . 6.000 4.629 4.331 4.983 . 0 0 "[ . 1 . 2]" 1
1074 1 59 PHE HA 1 96 GLN QB 0.000 . 6.000 4.372 3.863 4.608 . 0 0 "[ . 1 . 2]" 1
1075 1 59 PHE QD 1 96 GLN QB 0.000 . 6.000 2.855 2.218 4.204 . 0 0 "[ . 1 . 2]" 1
1076 1 59 PHE QE 1 96 GLN QB 0.000 . 6.000 2.570 2.121 3.883 . 0 0 "[ . 1 . 2]" 1
1077 1 59 PHE HA 1 96 GLN H 0.000 . 5.000 4.852 4.545 5.002 0.002 19 0 "[ . 1 . 2]" 1
1078 1 59 PHE QD 1 96 GLN H 0.000 . 4.000 3.694 3.315 3.995 . 0 0 "[ . 1 . 2]" 1
1079 1 59 PHE QE 1 96 GLN H 0.000 . 5.000 4.821 4.446 4.995 . 0 0 "[ . 1 . 2]" 1
1080 1 60 ARG H 1 96 GLN H 0.000 . 6.000 4.595 4.311 4.887 . 0 0 "[ . 1 . 2]" 1
1081 1 95 ASP HA 1 96 GLN H 0.000 . 3.000 2.308 2.284 2.334 . 0 0 "[ . 1 . 2]" 1
1082 1 95 ASP HB3 1 96 GLN H 0.000 . 6.000 3.651 2.818 3.864 . 0 0 "[ . 1 . 2]" 1
1083 1 95 ASP H 1 96 GLN H 0.000 . 5.000 4.345 4.305 4.399 . 0 0 "[ . 1 . 2]" 1
1084 1 96 GLN H 1 97 ILE HA 0.000 . 6.000 5.221 5.103 5.340 . 0 0 "[ . 1 . 2]" 1
1085 1 96 GLN H 1 97 ILE MG 0.000 . 5.000 4.098 3.932 4.319 . 0 0 "[ . 1 . 2]" 1
1086 1 96 GLN H 1 97 ILE H 0.000 . 5.000 4.557 4.504 4.625 . 0 0 "[ . 1 . 2]" 1
1087 1 97 ILE HA 1 98 GLU H 0.000 . 3.000 2.393 2.320 2.467 . 0 0 "[ . 1 . 2]" 1
1088 1 58 THR HB 1 97 ILE HA 0.000 . 6.000 5.517 5.116 5.840 . 0 0 "[ . 1 . 2]" 1
1089 1 58 THR MG 1 97 ILE HA 0.000 . 6.000 5.323 5.015 5.625 . 0 0 "[ . 1 . 2]" 1
1090 1 97 ILE HA 1 97 ILE HB 0.000 . 3.000 2.420 2.402 2.441 . 0 0 "[ . 1 . 2]" 1
1091 1 97 ILE HB 1 98 GLU H 0.000 . 3.000 2.652 2.461 2.845 . 0 0 "[ . 1 . 2]" 1
1092 1 58 THR MG 1 97 ILE HB 0.000 . 6.000 4.199 3.845 4.640 . 0 0 "[ . 1 . 2]" 1
1093 1 60 ARG HB3 1 97 ILE HB 0.000 . 6.000 5.184 4.403 6.004 0.004 17 0 "[ . 1 . 2]" 1
1094 1 35 THR HB 1 97 ILE MD 0.000 . 6.000 4.063 3.654 4.637 . 0 0 "[ . 1 . 2]" 1
1095 1 39 TYR QD 1 97 ILE MD 0.000 . 5.000 4.204 3.873 5.004 0.004 18 0 "[ . 1 . 2]" 1
1096 1 39 TYR QE 1 97 ILE MD 0.000 . 4.000 2.518 2.145 3.429 . 0 0 "[ . 1 . 2]" 1
1097 1 43 ILE MD 1 97 ILE MD 0.000 . 6.000 2.863 2.628 2.992 . 0 0 "[ . 1 . 2]" 1
1098 1 45 VAL HA 1 97 ILE MD 0.000 . 6.000 3.649 3.256 3.980 . 0 0 "[ . 1 . 2]" 1
1099 1 58 THR HB 1 97 ILE MD 0.000 . 4.000 3.659 3.353 3.992 . 0 0 "[ . 1 . 2]" 1
1100 1 59 PHE HA 1 97 ILE MD 0.000 . 6.000 3.949 3.683 4.197 . 0 0 "[ . 1 . 2]" 1
1101 1 58 THR HB 1 97 ILE HG13 0.000 . 6.000 2.583 2.211 2.952 . 0 0 "[ . 1 . 2]" 1
1102 1 43 ILE MD 1 97 ILE MG 0.000 . 5.000 3.729 3.490 3.957 . 0 0 "[ . 1 . 2]" 1
1103 1 96 GLN HA 1 97 ILE MG 0.000 . 6.000 3.487 3.288 3.615 . 0 0 "[ . 1 . 2]" 1
1104 1 58 THR HB 1 97 ILE H 0.000 . 6.000 3.939 3.646 4.125 . 0 0 "[ . 1 . 2]" 1
1105 1 58 THR MG 1 97 ILE H 0.000 . 6.000 4.031 3.774 4.251 . 0 0 "[ . 1 . 2]" 1
1106 1 59 PHE HA 1 97 ILE H 0.000 . 6.000 2.423 2.257 2.688 . 0 0 "[ . 1 . 2]" 1
1107 1 59 PHE QE 1 97 ILE H 0.000 . 6.000 4.923 4.712 5.250 . 0 0 "[ . 1 . 2]" 1
1108 1 96 GLN HA 1 97 ILE H 0.000 . 6.000 2.220 2.196 2.258 . 0 0 "[ . 1 . 2]" 1
1109 1 58 THR HB 1 98 GLU H 0.000 . 6.000 5.202 4.783 5.702 . 0 0 "[ . 1 . 2]" 1
1110 1 97 ILE MG 1 98 GLU H 0.000 . 6.000 3.933 3.835 4.008 . 0 0 "[ . 1 . 2]" 1
1111 1 97 ILE H 1 98 GLU H 0.000 . 6.000 4.481 4.448 4.511 . 0 0 "[ . 1 . 2]" 1
1112 1 97 ILE MD 1 99 SER HA 0.000 . 6.000 4.629 4.366 4.906 . 0 0 "[ . 1 . 2]" 1
1113 1 99 SER HA 1 99 SER HB2 0.000 . 3.000 2.589 2.366 3.035 0.035 5 0 "[ . 1 . 2]" 1
1114 1 56 PHE QD 1 99 SER QB 0.000 . 6.000 3.665 2.906 4.362 . 0 0 "[ . 1 . 2]" 1
1115 1 98 GLU H 1 99 SER H 0.000 . 6.000 4.676 4.619 4.695 . 0 0 "[ . 1 . 2]" 1
1116 1 99 SER H 1 100 VAL H 0.000 . 6.000 4.538 4.474 4.632 . 0 0 "[ . 1 . 2]" 1
1117 1 99 SER HA 1 100 VAL H 0.000 . 5.000 2.390 2.299 2.468 . 0 0 "[ . 1 . 2]" 1
1118 1 99 SER QB 1 100 VAL H 0.000 . 5.000 2.687 2.396 3.368 . 0 0 "[ . 1 . 2]" 1
1119 1 5 ILE MD 1 27 LEU QD 0.000 . 5.000 3.951 2.668 4.746 . 0 0 "[ . 1 . 2]" 1
1120 1 5 ILE MD 1 31 LEU QD 0.000 . 4.000 3.626 3.150 3.780 . 0 0 "[ . 1 . 2]" 1
1121 1 9 VAL MG1 1 23 ILE MD 0.000 . 5.000 1.807 1.666 1.988 . 0 0 "[ . 1 . 2]" 1
1122 1 9 VAL MG1 1 20 ARG QD 0.000 . 4.000 3.251 2.529 3.857 . 0 0 "[ . 1 . 2]" 1
1123 1 18 LEU QD 1 23 ILE MD 0.000 . 5.000 3.712 1.724 4.431 . 0 0 "[ . 1 . 2]" 1
1124 1 18 LEU QD 1 118 VAL HA 0.000 . 5.000 3.809 2.951 4.407 . 0 0 "[ . 1 . 2]" 1
1125 1 18 LEU QD 1 118 VAL HB 0.000 . 5.000 4.575 3.764 4.882 . 0 0 "[ . 1 . 2]" 1
1126 1 16 LYS HA 1 18 LEU QD 0.000 . 5.000 3.877 3.433 4.492 . 0 0 "[ . 1 . 2]" 1
1127 1 1 MET HA 1 53 SER HA 0.000 . 5.000 4.639 3.634 5.008 0.008 14 0 "[ . 1 . 2]" 1
1128 1 1 MET ME 1 53 SER HA 0.000 . 5.000 3.456 1.808 5.003 0.003 10 0 "[ . 1 . 2]" 1
1129 1 62 TRP HE1 1 73 LYS HA 0.000 . 3.000 2.914 2.770 3.012 0.012 2 0 "[ . 1 . 2]" 1
1130 1 41 GLN QG 1 72 THR MG 0.000 . 4.000 3.466 1.787 3.931 . 0 0 "[ . 1 . 2]" 1
1131 1 31 LEU QD 1 100 VAL QG 0.000 . 3.000 2.544 1.888 2.880 . 0 0 "[ . 1 . 2]" 1
1132 1 5 ILE MD 1 56 PHE QD 0.000 . 4.000 2.901 1.969 3.942 . 0 0 "[ . 1 . 2]" 1
1133 1 5 ILE MD 1 56 PHE QE 0.000 . 5.000 2.930 1.849 4.798 . 0 0 "[ . 1 . 2]" 1
1134 1 101 THR HA 1 102 PHE H 0.000 . 3.000 2.274 2.191 2.421 . 0 0 "[ . 1 . 2]" 1
1135 1 56 PHE QE 1 102 PHE QB 0.000 . 5.000 3.156 1.938 4.901 . 0 0 "[ . 1 . 2]" 1
1136 1 5 ILE MD 1 102 PHE QE 0.000 . 5.000 3.933 2.333 4.726 . 0 0 "[ . 1 . 2]" 1
1137 1 5 ILE MD 1 102 PHE QB 0.000 . 5.000 2.159 1.677 3.241 . 0 0 "[ . 1 . 2]" 1
1138 1 31 LEU QD 1 102 PHE QB 0.000 . 5.000 3.718 2.602 4.762 . 0 0 "[ . 1 . 2]" 1
1139 1 2 ASN H 1 55 ASP H 0.000 . 6.000 4.472 3.980 4.940 . 0 0 "[ . 1 . 2]" 1
1140 1 49 ILE MG 1 55 ASP H 0.000 . 5.000 3.411 3.106 3.925 . 0 0 "[ . 1 . 2]" 1
1141 1 50 ASP HB2 1 55 ASP H 0.000 . 4.000 2.332 1.867 3.257 . 0 0 "[ . 1 . 2]" 1
1142 1 50 ASP HB3 1 55 ASP H 0.000 . 4.000 3.555 1.903 3.934 . 0 0 "[ . 1 . 2]" 1
1143 1 53 SER HB2 1 55 ASP H 0.000 . 5.000 3.526 2.789 4.966 . 0 0 "[ . 1 . 2]" 1
1144 1 53 SER HB3 1 55 ASP H 0.000 . 5.000 4.098 3.811 5.004 0.004 15 0 "[ . 1 . 2]" 1
1145 1 62 TRP HD1 1 74 GLU H 0.000 . 3.000 2.873 2.473 3.015 0.015 1 0 "[ . 1 . 2]" 1
1146 1 62 TRP HE1 1 74 GLU H 0.000 . 5.000 3.977 3.219 4.459 . 0 0 "[ . 1 . 2]" 1
1147 1 50 ASP HB2 1 54 GLY H 0.000 . 4.000 3.101 2.906 4.005 0.005 13 0 "[ . 1 . 2]" 1
1148 1 50 ASP HB3 1 54 GLY H 0.000 . 4.000 3.257 2.277 3.750 . 0 0 "[ . 1 . 2]" 1
1149 1 49 ILE MG 1 54 GLY H 0.000 . 5.000 4.492 4.105 4.714 . 0 0 "[ . 1 . 2]" 1
1150 1 102 PHE QE 1 110 ALA MB 0.000 . 3.000 2.867 2.086 3.007 0.007 13 0 "[ . 1 . 2]" 1
1151 1 102 PHE HZ 1 110 ALA MB 0.000 . 5.000 3.310 2.378 4.300 . 0 0 "[ . 1 . 2]" 1
1152 1 31 LEU QD 1 102 PHE QE 0.000 . 5.000 3.896 3.315 4.379 . 0 0 "[ . 1 . 2]" 1
1153 1 28 GLU HG2 1 49 ILE MD 0.000 . 4.000 2.808 1.917 3.167 . 0 0 "[ . 1 . 2]" 1
1154 1 55 ASP HA 1 56 PHE H 0.000 . 3.000 2.313 2.187 2.421 . 0 0 "[ . 1 . 2]" 1
1155 1 102 PHE QD 1 105 ILE MD 0.000 . 6.000 4.986 2.230 6.001 0.001 16 0 "[ . 1 . 2]" 1
1156 1 102 PHE QE 1 105 ILE MD 0.000 . 6.000 5.151 2.798 6.002 0.002 15 0 "[ . 1 . 2]" 1
1157 1 35 THR HA 1 39 TYR QE 0.000 . 5.000 4.522 3.922 5.008 0.008 13 0 "[ . 1 . 2]" 1
1158 1 35 THR HA 1 100 VAL HB 0.000 . 5.000 4.436 3.121 5.004 0.004 14 0 "[ . 1 . 2]" 1
1159 1 35 THR HA 1 100 VAL QG 0.000 . 5.000 3.534 1.924 4.620 . 0 0 "[ . 1 . 2]" 1
1160 1 75 ILE QG 1 80 ALA MB 0.000 . 3.000 2.762 2.360 3.008 0.008 19 0 "[ . 1 . 2]" 1
1161 1 77 LEU HA 1 80 ALA MB 0.000 . 3.000 2.490 2.136 2.683 . 0 0 "[ . 1 . 2]" 1
1162 1 9 VAL HA 1 114 ILE MD 0.000 . 6.000 4.178 3.549 4.945 . 0 0 "[ . 1 . 2]" 1
1163 1 31 LEU QD 1 110 ALA MB 0.000 . 5.000 4.106 3.373 4.710 . 0 0 "[ . 1 . 2]" 1
1164 1 5 ILE HA 1 102 PHE QE 0.000 . 4.000 3.811 3.218 4.006 0.006 8 0 "[ . 1 . 2]" 1
1165 1 1 MET HA 1 55 ASP H 0.000 . 5.000 4.258 3.843 4.766 . 0 0 "[ . 1 . 2]" 1
1166 1 18 LEU QD 1 23 ILE HA 0.000 . 5.000 4.539 3.313 4.917 . 0 0 "[ . 1 . 2]" 1
1167 1 5 ILE MD 1 102 PHE HZ 0.000 . 6.000 5.152 3.574 5.985 . 0 0 "[ . 1 . 2]" 1
1168 1 8 VAL HB 1 102 PHE HZ 0.000 . 5.000 4.371 3.444 5.005 0.005 14 0 "[ . 1 . 2]" 1
1169 1 4 GLU HB2 1 102 PHE QD 0.000 . 5.000 3.673 2.550 4.985 . 0 0 "[ . 1 . 2]" 1
1170 1 4 GLU HB3 1 102 PHE QD 0.000 . 5.000 4.014 2.992 5.000 0.000 17 0 "[ . 1 . 2]" 1
1171 1 4 GLU HB2 1 102 PHE QE 0.000 . 5.000 3.973 2.628 4.970 . 0 0 "[ . 1 . 2]" 1
1172 1 4 GLU HB3 1 102 PHE QE 0.000 . 5.000 3.424 2.511 4.624 . 0 0 "[ . 1 . 2]" 1
1173 1 1 MET HA 1 53 SER QB 0.000 . 4.000 3.442 2.760 3.950 . 0 0 "[ . 1 . 2]" 1
1174 1 1 MET QB 1 53 SER QB 0.000 . 5.000 4.116 3.477 4.749 . 0 0 "[ . 1 . 2]" 1
1175 1 8 VAL HB 1 114 ILE MD 0.000 . 5.000 4.776 3.777 5.000 . 0 0 "[ . 1 . 2]" 1
1176 1 12 VAL HA 1 114 ILE MG 0.000 . 4.000 3.967 3.725 4.002 0.002 15 0 "[ . 1 . 2]" 1
1177 1 114 ILE MG 1 118 VAL HB 0.000 . 4.000 3.948 3.800 4.006 0.006 9 0 "[ . 1 . 2]" 1
1178 1 5 ILE MG 1 54 GLY QA 0.000 . 4.000 3.807 2.976 4.008 0.008 17 0 "[ . 1 . 2]" 1
1179 1 49 ILE MG 1 54 GLY QA 0.000 . 4.000 3.571 2.757 3.976 . 0 0 "[ . 1 . 2]" 1
1180 1 51 ARG H 1 52 LYS H 0.000 . 4.000 2.654 2.389 2.791 . 0 0 "[ . 1 . 2]" 1
1181 1 111 LYS HA 1 114 ILE MG 0.000 . 5.000 4.064 3.756 4.401 . 0 0 "[ . 1 . 2]" 1
1182 1 8 VAL H 1 8 VAL HB 0.000 . 3.000 2.517 2.410 2.687 . 0 0 "[ . 1 . 2]" 1
1183 1 80 ALA MB 1 87 LEU MD1 0.000 . 3.000 2.134 1.802 2.908 . 0 0 "[ . 1 . 2]" 1
1184 1 80 ALA MB 1 87 LEU QB 0.000 . 4.000 1.957 1.675 2.665 . 0 0 "[ . 1 . 2]" 1
1185 1 111 LYS HA 1 114 ILE MD 0.000 . 3.000 2.250 1.804 2.732 . 0 0 "[ . 1 . 2]" 1
1186 1 110 ALA HA 1 114 ILE MD 0.000 . 5.000 4.835 4.497 5.000 . 0 0 "[ . 1 . 2]" 1
1187 1 18 LEU QD 1 121 ALA MB 0.000 . 5.000 3.719 2.408 4.699 . 0 0 "[ . 1 . 2]" 1
1188 1 81 ARG QG 1 85 GLU H 0.000 . 5.000 4.918 4.590 5.090 0.090 12 0 "[ . 1 . 2]" 1
1189 1 18 LEU QD 1 118 VAL H 0.000 . 6.000 5.288 4.559 5.843 . 0 0 "[ . 1 . 2]" 1
1190 1 12 VAL MG1 1 118 VAL H 0.000 . 6.000 5.623 5.091 5.969 . 0 0 "[ . 1 . 2]" 1
1191 1 31 LEU QD 1 34 ALA MB 0.000 . 4.000 3.545 3.008 3.955 . 0 0 "[ . 1 . 2]" 1
1192 1 34 ALA MB 1 37 LYS QE 0.000 . 4.000 3.304 2.591 3.804 . 0 0 "[ . 1 . 2]" 1
1193 1 62 TRP HE3 1 93 VAL MG2 0.000 . 4.000 3.884 3.177 4.662 0.662 16 1 "[ . 1 .+ 2]" 1
1194 1 62 TRP HE3 1 93 VAL HB 0.000 . 5.000 3.382 2.042 5.008 0.008 3 0 "[ . 1 . 2]" 1
1195 1 62 TRP HE3 1 94 GLU HA 0.000 . 6.000 5.644 4.895 6.010 0.010 3 0 "[ . 1 . 2]" 1
1196 1 62 TRP HZ3 1 95 ASP QB 0.000 . 4.000 3.139 1.891 3.724 . 0 0 "[ . 1 . 2]" 1
1197 1 62 TRP HH2 1 95 ASP QB 0.000 . 5.000 4.117 2.651 4.886 . 0 0 "[ . 1 . 2]" 1
1198 1 56 PHE HZ 1 101 THR HA 0.000 . 5.000 4.463 3.713 5.008 0.008 15 0 "[ . 1 . 2]" 1
1199 1 5 ILE MD 1 56 PHE HZ 0.000 . 6.000 4.667 3.448 6.012 0.012 18 0 "[ . 1 . 2]" 1
1200 1 56 PHE HZ 1 99 SER QB 0.000 . 5.000 4.132 2.260 4.989 . 0 0 "[ . 1 . 2]" 1
1201 1 63 LEU QB 1 92 TYR QD 0.000 . 3.000 2.946 2.660 3.024 0.024 12 0 "[ . 1 . 2]" 1
1202 1 61 ARG QD 1 92 TYR QD 0.000 . 4.000 2.666 2.235 3.243 . 0 0 "[ . 1 . 2]" 1
1203 1 68 VAL QG 1 76 THR HA 0.000 . 4.000 3.006 1.725 3.803 . 0 0 "[ . 1 . 2]" 1
1204 1 41 GLN HA 1 72 THR MG 0.000 . 5.000 3.779 3.286 4.973 . 0 0 "[ . 1 . 2]" 1
1205 1 43 ILE MG 1 72 THR HB 0.000 . 4.000 2.398 1.842 3.599 . 0 0 "[ . 1 . 2]" 1
1206 1 41 GLN QG 1 72 THR HB 0.000 . 5.000 4.383 2.887 5.014 0.014 3 0 "[ . 1 . 2]" 1
1207 1 68 VAL QG 1 71 PRO HA 0.000 . 3.000 2.124 1.749 2.503 . 0 0 "[ . 1 . 2]" 1
1208 1 62 TRP HD1 1 73 LYS HA 0.000 . 3.000 2.301 2.024 2.882 . 0 0 "[ . 1 . 2]" 1
1209 1 68 VAL QG 1 73 LYS H 0.000 . 5.000 4.302 3.185 4.626 . 0 0 "[ . 1 . 2]" 1
1210 1 68 VAL QG 1 76 THR MG 0.000 . 3.000 1.894 1.615 2.540 . 0 0 "[ . 1 . 2]" 1
1211 1 67 GLU HA 1 76 THR MG 0.000 . 4.000 3.485 2.862 4.018 0.018 12 0 "[ . 1 . 2]" 1
1212 1 62 TRP HA 1 73 LYS QB 0.000 . 6.000 4.834 4.225 5.471 . 0 0 "[ . 1 . 2]" 1
1213 1 44 ASP HA 1 73 LYS QB 0.000 . 5.000 4.672 3.655 5.048 0.048 19 0 "[ . 1 . 2]" 1
1214 1 44 ASP HA 1 73 LYS QG 0.000 . 5.000 3.878 3.071 5.014 0.014 13 0 "[ . 1 . 2]" 1
1215 1 44 ASP QB 1 73 LYS QB 0.000 . 5.000 3.043 1.998 3.909 . 0 0 "[ . 1 . 2]" 1
1216 1 44 ASP QB 1 73 LYS QG 0.000 . 5.000 2.603 1.841 3.990 . 0 0 "[ . 1 . 2]" 1
1217 1 30 ALA MB 1 113 VAL H 0.000 . 5.000 4.762 4.238 5.012 0.012 19 0 "[ . 1 . 2]" 1
1218 1 26 ALA MB 1 114 ILE HA 0.000 . 4.000 2.912 2.148 3.808 . 0 0 "[ . 1 . 2]" 1
1219 1 118 VAL HB 1 119 ARG H 0.000 . 3.000 2.688 2.484 2.853 . 0 0 "[ . 1 . 2]" 1
1220 1 13 SER HA 1 23 ILE MD 0.000 . 3.000 2.519 2.056 2.967 . 0 0 "[ . 1 . 2]" 1
1221 1 18 LEU QB 1 23 ILE MD 0.000 . 4.000 3.483 3.075 4.006 0.006 20 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 6
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.297
_Distance_constraint_stats_list.Viol_max 0.010
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0074
_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 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 PHE 0.015 0.010 13 0 "[ . 1 . 2]"
1 106 THR 0.015 0.010 13 0 "[ . 1 . 2]"
1 107 THR 0.015 0.010 13 0 "[ . 1 . 2]"
1 110 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.000 0.000 . 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 1 102 PHE QE 1 114 ILE MD 0.000 . 6.000 4.972 3.890 5.726 . 0 0 "[ . 1 . 2]" 2
2 1 102 PHE QE 1 106 THR HA 0.000 . 5.000 3.547 2.521 5.010 0.010 13 0 "[ . 1 . 2]" 2
3 1 102 PHE HZ 1 106 THR HA 0.000 . 5.000 3.393 1.898 4.982 . 0 0 "[ . 1 . 2]" 2
4 1 102 PHE QE 1 106 THR HB 0.000 . 5.000 3.743 2.475 5.005 0.005 8 0 "[ . 1 . 2]" 2
5 1 106 THR HA 1 110 ALA MB 0.000 . 5.000 3.549 2.311 4.986 . 0 0 "[ . 1 . 2]" 2
6 1 26 ALA MB 1 114 ILE H 0.000 . 5.000 4.296 3.736 4.986 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 58
_Distance_constraint_stats_list.Viol_count 133
_Distance_constraint_stats_list.Viol_total 52.007
_Distance_constraint_stats_list.Viol_max 0.074
_Distance_constraint_stats_list.Viol_rms 0.0087
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0196
_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 21 GLU 0.129 0.022 10 0 "[ . 1 . 2]"
1 23 ILE 0.006 0.003 15 0 "[ . 1 . 2]"
1 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 0.284 0.030 18 0 "[ . 1 . 2]"
1 26 ALA 0.014 0.008 12 0 "[ . 1 . 2]"
1 27 LEU 0.006 0.003 15 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.166 0.030 18 0 "[ . 1 . 2]"
1 30 ALA 0.022 0.008 12 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.020 0.020 12 0 "[ . 1 . 2]"
1 33 THR 0.011 0.009 4 0 "[ . 1 . 2]"
1 34 ALA 0.007 0.007 16 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.020 0.020 12 0 "[ . 1 . 2]"
1 44 ASP 0.357 0.041 14 0 "[ . 1 . 2]"
1 46 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.051 0.013 18 0 "[ . 1 . 2]"
1 50 ASP 1.353 0.074 13 0 "[ . 1 . 2]"
1 55 ASP 1.353 0.074 13 0 "[ . 1 . 2]"
1 57 ASP 0.051 0.013 18 0 "[ . 1 . 2]"
1 58 THR 0.103 0.016 16 0 "[ . 1 . 2]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ARG 0.357 0.041 14 0 "[ . 1 . 2]"
1 62 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.025 0.019 6 0 "[ . 1 . 2]"
1 78 GLU 0.211 0.067 14 0 "[ . 1 . 2]"
1 79 ALA 0.158 0.043 15 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ARG 0.025 0.019 6 0 "[ . 1 . 2]"
1 82 TYR 0.211 0.067 14 0 "[ . 1 . 2]"
1 83 GLU 0.158 0.043 15 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ILE 0.103 0.016 16 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 64 VAL H 1 91 ASP O 0.000 . 2.300 1.826 1.650 2.093 . 0 0 "[ . 1 . 2]" 3
2 1 64 VAL N 1 91 ASP O 0.000 . 3.100 2.789 2.614 3.027 . 0 0 "[ . 1 . 2]" 3
3 1 62 TRP O 1 93 VAL H 0.000 . 2.300 1.636 1.555 1.796 . 0 0 "[ . 1 . 2]" 3
4 1 62 TRP O 1 93 VAL N 0.000 . 3.100 2.567 2.446 2.690 . 0 0 "[ . 1 . 2]" 3
5 1 58 THR O 1 97 ILE H 0.000 . 2.300 2.134 2.039 2.172 . 0 0 "[ . 1 . 2]" 3
6 1 58 THR O 1 97 ILE N 0.000 . 3.100 3.095 3.003 3.116 0.016 16 0 "[ . 1 . 2]" 3
7 1 60 ARG H 1 95 ASP O 0.000 . 2.300 1.690 1.564 1.879 . 0 0 "[ . 1 . 2]" 3
8 1 60 ARG N 1 95 ASP O 0.000 . 3.100 2.612 2.434 2.817 . 0 0 "[ . 1 . 2]" 3
9 1 60 ARG O 1 95 ASP H 0.000 . 2.300 2.117 1.778 2.298 . 0 0 "[ . 1 . 2]" 3
10 1 60 ARG O 1 95 ASP N 0.000 . 3.100 2.782 2.437 3.083 . 0 0 "[ . 1 . 2]" 3
11 1 62 TRP H 1 93 VAL O 0.000 . 2.300 2.060 1.959 2.240 . 0 0 "[ . 1 . 2]" 3
12 1 62 TRP N 1 93 VAL O 0.000 . 3.100 2.910 2.799 3.087 . 0 0 "[ . 1 . 2]" 3
13 1 46 ARG O 1 59 PHE H 0.000 . 2.300 1.805 1.612 2.118 . 0 0 "[ . 1 . 2]" 3
14 1 46 ARG O 1 59 PHE N 0.000 . 3.100 2.658 2.486 2.995 . 0 0 "[ . 1 . 2]" 3
15 1 46 ARG H 1 59 PHE O 0.000 . 2.300 1.581 1.518 1.663 . 0 0 "[ . 1 . 2]" 3
16 1 46 ARG N 1 59 PHE O 0.000 . 3.100 2.503 2.434 2.621 . 0 0 "[ . 1 . 2]" 3
17 1 44 ASP O 1 61 ARG H 0.000 . 2.300 2.121 1.700 2.244 . 0 0 "[ . 1 . 2]" 3
18 1 44 ASP O 1 61 ARG N 0.000 . 3.100 3.067 2.581 3.141 0.041 14 0 "[ . 1 . 2]" 3
19 1 48 GLN H 1 57 ASP O 0.000 . 2.300 2.143 1.802 2.309 0.009 11 0 "[ . 1 . 2]" 3
20 1 48 GLN N 1 57 ASP O 0.000 . 3.100 3.025 2.707 3.113 0.013 18 0 "[ . 1 . 2]" 3
21 1 65 VAL H 1 75 ILE O 0.000 . 2.300 1.751 1.576 1.931 . 0 0 "[ . 1 . 2]" 3
22 1 65 VAL N 1 75 ILE O 0.000 . 3.100 2.627 2.433 2.881 . 0 0 "[ . 1 . 2]" 3
23 1 63 LEU O 1 75 ILE H 0.000 . 2.300 1.788 1.584 2.052 . 0 0 "[ . 1 . 2]" 3
24 1 63 LEU O 1 75 ILE N 0.000 . 3.100 2.707 2.517 2.993 . 0 0 "[ . 1 . 2]" 3
25 1 21 GLU O 1 25 GLU H 0.000 . 2.300 2.231 2.187 2.273 . 0 0 "[ . 1 . 2]" 3
26 1 21 GLU O 1 25 GLU N 0.000 . 3.100 3.104 3.081 3.122 0.022 10 0 "[ . 1 . 2]" 3
27 1 23 ILE O 1 27 LEU H 0.000 . 2.300 2.010 1.808 2.150 . 0 0 "[ . 1 . 2]" 3
28 1 23 ILE O 1 27 LEU N 0.000 . 3.100 2.973 2.785 3.103 0.003 15 0 "[ . 1 . 2]" 3
29 1 24 PHE O 1 28 GLU H 0.000 . 2.300 1.887 1.788 2.026 . 0 0 "[ . 1 . 2]" 3
30 1 24 PHE O 1 28 GLU N 0.000 . 3.100 2.848 2.747 2.980 . 0 0 "[ . 1 . 2]" 3
31 1 25 GLU O 1 29 SER H 0.000 . 2.300 2.170 2.105 2.207 . 0 0 "[ . 1 . 2]" 3
32 1 25 GLU O 1 29 SER N 0.000 . 3.100 3.095 2.947 3.130 0.030 18 0 "[ . 1 . 2]" 3
33 1 26 ALA O 1 30 ALA H 0.000 . 2.300 2.106 1.912 2.260 . 0 0 "[ . 1 . 2]" 3
34 1 26 ALA O 1 30 ALA N 0.000 . 3.100 2.992 2.778 3.108 0.008 12 0 "[ . 1 . 2]" 3
35 1 27 LEU O 1 31 LEU H 0.000 . 2.300 1.957 1.771 2.200 . 0 0 "[ . 1 . 2]" 3
36 1 27 LEU O 1 31 LEU N 0.000 . 3.100 2.900 2.728 3.093 . 0 0 "[ . 1 . 2]" 3
37 1 28 GLU O 1 32 ALA H 0.000 . 2.300 1.891 1.743 2.135 . 0 0 "[ . 1 . 2]" 3
38 1 28 GLU O 1 32 ALA N 0.000 . 3.100 2.855 2.699 3.098 . 0 0 "[ . 1 . 2]" 3
39 1 29 SER O 1 33 THR H 0.000 . 2.300 2.025 1.598 2.237 . 0 0 "[ . 1 . 2]" 3
40 1 29 SER O 1 33 THR N 0.000 . 3.100 2.935 2.512 3.109 0.009 4 0 "[ . 1 . 2]" 3
41 1 30 ALA O 1 34 ALA H 0.000 . 2.300 1.995 1.710 2.199 . 0 0 "[ . 1 . 2]" 3
42 1 30 ALA O 1 34 ALA N 0.000 . 3.100 2.920 2.610 3.107 0.007 16 0 "[ . 1 . 2]" 3
43 1 31 LEU O 1 35 THR H 0.000 . 2.300 1.796 1.576 2.103 . 0 0 "[ . 1 . 2]" 3
44 1 31 LEU O 1 35 THR N 0.000 . 3.100 2.649 2.469 2.898 . 0 0 "[ . 1 . 2]" 3
45 1 32 ALA O 1 36 LYS H 0.000 . 2.300 1.993 1.883 2.150 . 0 0 "[ . 1 . 2]" 3
46 1 32 ALA O 1 36 LYS N 0.000 . 3.100 2.962 2.843 3.120 0.020 12 0 "[ . 1 . 2]" 3
47 1 77 LEU O 1 81 ARG H 0.000 . 2.300 2.053 1.762 2.244 . 0 0 "[ . 1 . 2]" 3
48 1 77 LEU O 1 81 ARG N 0.000 . 3.100 2.953 2.733 3.119 0.019 6 0 "[ . 1 . 2]" 3
49 1 78 GLU O 1 82 TYR H 0.000 . 2.300 2.168 2.055 2.314 0.014 14 0 "[ . 1 . 2]" 3
50 1 78 GLU O 1 82 TYR N 0.000 . 3.100 3.097 3.020 3.167 0.067 14 0 "[ . 1 . 2]" 3
51 1 79 ALA O 1 83 GLU H 0.000 . 2.300 2.173 2.025 2.319 0.019 12 0 "[ . 1 . 2]" 3
52 1 79 ALA O 1 83 GLU N 0.000 . 3.100 3.085 2.956 3.143 0.043 15 0 "[ . 1 . 2]" 3
53 1 80 ALA O 1 84 ASP H 0.000 . 2.300 1.839 1.583 2.286 . 0 0 "[ . 1 . 2]" 3
54 1 80 ALA O 1 84 ASP N 0.000 . 3.100 2.692 2.429 2.961 . 0 0 "[ . 1 . 2]" 3
55 1 50 ASP O 1 55 ASP H 0.000 . 2.300 2.352 2.325 2.374 0.074 13 0 "[ . 1 . 2]" 3
56 1 50 ASP O 1 55 ASP N 0.000 . 3.100 3.113 3.080 3.132 0.032 4 0 "[ . 1 . 2]" 3
57 1 50 ASP H 1 55 ASP O 0.000 . 2.300 1.682 1.564 2.011 . 0 0 "[ . 1 . 2]" 3
58 1 50 ASP N 1 55 ASP O 0.000 . 3.100 2.551 2.422 2.857 . 0 0 "[ . 1 . 2]" 3
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