NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578128 |
2ru9   |
11555 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ru9
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 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 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 59 PHE HE1 1 62 GLU HB3 3.922 . 5.845 4.320 3.721 4.773 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 1321
_Distance_constraint_stats_list.Viol_count 929
_Distance_constraint_stats_list.Viol_total 2258.412
_Distance_constraint_stats_list.Viol_max 0.874
_Distance_constraint_stats_list.Viol_rms 0.0351
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0043
_Distance_constraint_stats_list.Viol_average_violations_only 0.1216
_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 4 GLU 2.207 0.607 20 1 "[ . 1 . +]"
1 5 PRO 3.520 0.703 1 2 "[+ . 1 . -]"
1 6 PRO 0.760 0.679 1 1 "[+ . 1 . 2]"
1 7 TYR 8.424 0.703 1 1 "[+ . 1 . 2]"
1 8 VAL 3.743 0.570 18 1 "[ . 1 . + 2]"
1 9 SER 0.176 0.047 15 0 "[ . 1 . 2]"
1 10 SER 0.159 0.159 7 0 "[ . 1 . 2]"
1 11 LEU 0.005 0.005 1 0 "[ . 1 . 2]"
1 12 ARG 0.273 0.273 1 0 "[ . 1 . 2]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 GLU 1.587 0.524 15 3 "[ . * - + 2]"
1 15 ILE 1.020 0.080 2 0 "[ . 1 . 2]"
1 16 PRO 9.701 0.519 2 2 "[ + . - 1 . 2]"
1 17 ALA 0.093 0.054 5 0 "[ . 1 . 2]"
1 18 ASP 0.234 0.069 17 0 "[ . 1 . 2]"
1 19 ILE 11.594 0.519 2 2 "[ + . - 1 . 2]"
1 20 ALA 0.610 0.171 8 0 "[ . 1 . 2]"
1 21 ALA 0.207 0.054 17 0 "[ . 1 . 2]"
1 22 ASN 1.668 0.658 6 1 "[ .+ 1 . 2]"
1 23 GLU 14.279 0.658 6 1 "[ .+ 1 . 2]"
1 24 ALA 6.357 0.375 17 0 "[ . 1 . 2]"
1 25 LEU 0.372 0.071 15 0 "[ . 1 . 2]"
1 26 LYS 3.206 0.396 1 0 "[ . 1 . 2]"
1 27 VAL 0.618 0.068 3 0 "[ . 1 . 2]"
1 28 ARG 1.951 0.611 15 1 "[ . 1 + 2]"
1 29 LEU 0.778 0.279 15 0 "[ . 1 . 2]"
1 30 LEU 1.032 0.066 14 0 "[ . 1 . 2]"
1 31 GLU 1.495 0.137 15 0 "[ . 1 . 2]"
1 32 THR 3.008 0.190 10 0 "[ . 1 . 2]"
1 33 GLU 5.283 0.874 10 1 "[ . + . 2]"
1 34 GLY 3.795 0.874 10 1 "[ . + . 2]"
1 35 VAL 1.937 0.169 9 0 "[ . 1 . 2]"
1 36 LYS 5.323 0.570 18 1 "[ . 1 . + 2]"
1 37 GLU 1.304 0.169 13 0 "[ . 1 . 2]"
1 38 VAL 1.318 0.169 13 0 "[ . 1 . 2]"
1 39 LEU 2.278 0.128 2 0 "[ . 1 . 2]"
1 40 ILE 3.426 0.646 20 3 "[ . * 1 -. +]"
1 41 ALA 1.968 0.628 20 3 "[ . - 1 *. +]"
1 42 GLU 5.238 0.646 20 3 "[ . * 1 -. +]"
1 43 GLU 6.376 0.653 3 2 "[ + . 1 - . 2]"
1 44 GLU 4.611 0.399 6 0 "[ . 1 . 2]"
1 45 HIS 0.266 0.090 5 0 "[ . 1 . 2]"
1 46 SER 0.303 0.100 2 0 "[ . 1 . 2]"
1 47 ALA 0.056 0.044 1 0 "[ . 1 . 2]"
1 48 TYR 0.505 0.095 17 0 "[ . 1 . 2]"
1 49 VAL 0.011 0.006 7 0 "[ . 1 . 2]"
1 50 LYS 1.998 0.603 4 2 "[ +. 1- . 2]"
1 51 ILE 1.675 0.501 12 1 "[ . 1 + . 2]"
1 52 ASP 1.165 0.203 9 0 "[ . 1 . 2]"
1 53 SER 1.277 0.501 12 1 "[ . 1 + . 2]"
1 54 LYS 2.817 0.402 8 0 "[ . 1 . 2]"
1 55 VAL 1.516 0.115 13 0 "[ . 1 . 2]"
1 56 THR 0.111 0.033 17 0 "[ . 1 . 2]"
1 57 ASN 3.484 0.557 7 1 "[ . + 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 3.650 0.158 16 0 "[ . 1 . 2]"
1 60 GLU 3.416 0.557 7 1 "[ . + 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 2.456 0.131 13 0 "[ . 1 . 2]"
1 63 GLN 0.073 0.069 5 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 1.945 0.131 13 0 "[ . 1 . 2]"
1 66 ARG 5.195 0.519 13 1 "[ . 1 + . 2]"
1 67 GLN 4.806 0.519 13 1 "[ . 1 + . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.662 0.363 11 0 "[ . 1 . 2]"
1 70 GLU 7.175 0.547 1 4 "[+ . -* *. 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 15 ILE MD 1 45 HIS HD2 3.993 . 5.986 4.280 2.577 4.876 . 0 0 "[ . 1 . 2]" 2
2 1 5 PRO QB 1 7 TYR HE2 4.203 . 6.412 4.298 3.154 7.115 0.703 1 1 "[+ . 1 . 2]" 2
3 1 6 PRO QG 1 7 TYR HE2 4.261 . 6.530 4.467 3.059 7.209 0.679 1 1 "[+ . 1 . 2]" 2
4 1 59 PHE HD1 1 63 GLN HB3 4.056 . 6.112 4.386 3.910 4.824 . 0 0 "[ . 1 . 2]" 2
5 1 59 PHE HD1 1 60 GLU HB2 3.646 . 6.000 5.718 5.191 6.027 0.027 12 0 "[ . 1 . 2]" 2
6 1 59 PHE HD1 1 62 GLU QG 3.774 . 6.000 5.732 5.546 5.813 . 0 0 "[ . 1 . 2]" 2
7 1 59 PHE HD1 1 60 GLU QG 4.028 . 6.056 4.527 4.041 5.614 . 0 0 "[ . 1 . 2]" 2
8 1 59 PHE HD1 1 60 GLU HA 3.714 . 5.439 3.335 2.911 3.619 . 0 0 "[ . 1 . 2]" 2
9 1 12 ARG HD2 1 48 TYR QE 4.238 . 6.483 4.241 2.930 5.026 . 0 0 "[ . 1 . 2]" 2
10 1 46 SER QB 1 48 TYR QE 3.759 . 5.526 3.581 2.783 4.046 . 0 0 "[ . 1 . 2]" 2
11 1 39 LEU QB 1 48 TYR QE 4.131 . 6.265 5.231 4.707 5.687 . 0 0 "[ . 1 . 2]" 2
12 1 12 ARG HD3 1 48 TYR QE 3.627 . 5.271 3.841 2.963 4.875 . 0 0 "[ . 1 . 2]" 2
13 1 41 ALA MB 1 48 TYR QE 2.839 . 3.846 2.343 2.023 2.837 . 0 0 "[ . 1 . 2]" 2
14 1 12 ARG HG3 1 48 TYR QE 4.229 . 6.465 3.352 2.822 3.764 . 0 0 "[ . 1 . 2]" 2
15 1 39 LEU QB 1 48 TYR QD 4.810 . 7.702 3.332 2.822 3.853 . 0 0 "[ . 1 . 2]" 2
16 1 41 ALA MB 1 48 TYR QD 3.528 . 5.084 2.496 2.191 2.906 . 0 0 "[ . 1 . 2]" 2
17 1 39 LEU MD2 1 48 TYR QD 3.730 . 5.469 3.370 2.302 3.903 . 0 0 "[ . 1 . 2]" 2
18 1 17 ALA HA 1 45 HIS HD2 3.628 . 5.273 4.395 3.412 5.327 0.054 5 0 "[ . 1 . 2]" 2
19 1 45 HIS HB3 1 45 HIS HD2 3.852 . 5.707 2.871 2.693 3.960 . 0 0 "[ . 1 . 2]" 2
20 1 15 ILE MG 1 45 HIS HD2 3.936 . 5.872 3.655 2.393 4.402 . 0 0 "[ . 1 . 2]" 2
21 1 15 ILE HB 1 45 HIS HD2 3.450 . 4.937 2.725 2.019 4.439 . 0 0 "[ . 1 . 2]" 2
22 1 20 ALA HA 1 45 HIS HE1 3.455 . 4.947 4.196 3.300 5.037 0.090 5 0 "[ . 1 . 2]" 2
23 1 17 ALA MB 1 45 HIS HE1 4.232 . 6.470 4.659 3.404 5.020 . 0 0 "[ . 1 . 2]" 2
24 1 17 ALA HA 1 45 HIS HE1 3.871 . 5.744 3.315 1.979 3.756 0.019 19 0 "[ . 1 . 2]" 2
25 1 15 ILE MG 1 45 HIS HE1 3.783 . 5.572 3.585 2.660 4.488 . 0 0 "[ . 1 . 2]" 2
26 1 4 GLU HA 1 4 GLU HB3 2.744 . 3.685 2.741 2.401 3.028 . 0 0 "[ . 1 . 2]" 2
27 1 4 GLU HA 1 4 GLU HG3 2.851 . 3.867 2.893 2.416 4.260 0.393 7 0 "[ . 1 . 2]" 2
28 1 4 GLU HA 1 5 PRO HD3 2.264 . 2.905 2.128 1.827 2.626 . 0 0 "[ . 1 . 2]" 2
29 1 4 GLU HG3 1 5 PRO HD2 3.348 . 4.749 4.043 2.696 5.356 0.607 20 1 "[ . 1 . +]" 2
30 1 5 PRO QB 1 5 PRO HD2 2.814 . 3.804 3.206 2.834 3.498 . 0 0 "[ . 1 . 2]" 2
31 1 5 PRO QB 1 5 PRO HG3 2.299 . 2.960 2.199 2.168 2.242 . 0 0 "[ . 1 . 2]" 2
32 1 5 PRO QB 1 5 PRO HD3 3.460 . 4.487 3.265 2.942 3.548 . 0 0 "[ . 1 . 2]" 2
33 1 5 PRO QB 1 6 PRO HD2 2.826 . 3.825 2.814 2.223 3.163 . 0 0 "[ . 1 . 2]" 2
34 1 5 PRO HD3 1 5 PRO HG3 2.390 . 3.104 2.292 2.257 2.325 . 0 0 "[ . 1 . 2]" 2
35 1 5 PRO HD3 1 8 VAL QG 3.720 . 5.450 3.541 3.274 4.115 . 0 0 "[ . 1 . 2]" 2
36 1 4 GLU HA 1 5 PRO HD2 2.386 . 3.098 2.441 1.955 2.905 . 0 0 "[ . 1 . 2]" 2
37 1 5 PRO HD2 1 5 PRO HG3 2.242 . 2.870 2.862 2.692 2.996 0.126 16 0 "[ . 1 . 2]" 2
38 1 5 PRO HG3 1 8 VAL QG 3.186 . 4.455 3.932 3.502 4.352 . 0 0 "[ . 1 . 2]" 2
39 1 6 PRO HA 1 6 PRO HB3 2.188 . 2.786 2.265 2.249 2.311 . 0 0 "[ . 1 . 2]" 2
40 1 6 PRO HA 1 6 PRO HB2 2.518 . 3.311 2.894 2.669 2.944 . 0 0 "[ . 1 . 2]" 2
41 1 6 PRO HA 1 6 PRO HD3 3.530 . 5.088 3.888 3.654 3.957 . 0 0 "[ . 1 . 2]" 2
42 1 6 PRO HA 1 6 PRO QG 2.701 . 3.613 3.167 3.013 3.469 . 0 0 "[ . 1 . 2]" 2
43 1 6 PRO HB3 1 6 PRO QG 2.112 . 2.669 2.180 2.166 2.271 . 0 0 "[ . 1 . 2]" 2
44 1 6 PRO HB2 1 6 PRO QG 2.122 . 2.968 2.217 2.178 2.235 . 0 0 "[ . 1 . 2]" 2
45 1 5 PRO HA 1 6 PRO HD3 2.315 . 2.985 1.899 1.813 2.270 . 0 0 "[ . 1 . 2]" 2
46 1 5 PRO QB 1 6 PRO HD3 3.232 . 4.538 3.094 2.814 3.656 . 0 0 "[ . 1 . 2]" 2
47 1 6 PRO HB3 1 6 PRO HD3 3.189 . 4.460 3.954 2.894 4.045 . 0 0 "[ . 1 . 2]" 2
48 1 6 PRO HB2 1 6 PRO HD3 3.262 . 4.592 3.939 3.892 4.043 . 0 0 "[ . 1 . 2]" 2
49 1 6 PRO HD3 1 6 PRO QG 2.472 . 3.236 2.184 2.167 2.240 . 0 0 "[ . 1 . 2]" 2
50 1 5 PRO HA 1 6 PRO HD2 2.386 . 3.098 2.964 2.348 3.130 0.032 2 0 "[ . 1 . 2]" 2
51 1 7 TYR HA 1 7 TYR HB3 2.279 . 2.928 2.458 2.391 2.555 . 0 0 "[ . 1 . 2]" 2
52 1 7 TYR HB3 1 7 TYR HD2 2.484 . 3.256 3.448 2.348 3.630 0.374 17 0 "[ . 1 . 2]" 2
53 1 7 TYR HB3 1 8 VAL QG 3.681 . 5.375 4.729 4.360 5.399 0.024 19 0 "[ . 1 . 2]" 2
54 1 7 TYR HB3 1 54 LYS HD3 3.673 . 5.360 4.072 3.065 5.523 0.163 8 0 "[ . 1 . 2]" 2
55 1 7 TYR HB3 1 54 LYS HG3 3.395 . 4.836 3.957 3.290 4.818 . 0 0 "[ . 1 . 2]" 2
56 1 8 VAL HA 1 52 ASP HA 2.801 . 3.782 3.294 3.059 3.508 . 0 0 "[ . 1 . 2]" 2
57 1 5 PRO HD2 1 8 VAL QG 2.710 . 3.628 2.177 1.904 2.717 . 0 0 "[ . 1 . 2]" 2
58 1 8 VAL HA 1 8 VAL QG 2.459 . 3.215 2.252 2.086 2.358 . 0 0 "[ . 1 . 2]" 2
59 1 8 VAL HB 1 8 VAL QG 2.101 . 2.653 1.891 1.883 1.895 . 0 0 "[ . 1 . 2]" 2
60 1 8 VAL QG 1 36 LYS HE2 3.134 . 4.362 3.854 2.837 4.932 0.570 18 1 "[ . 1 . + 2]" 2
61 1 8 VAL QG 1 36 LYS HD3 2.545 . 6.000 4.410 4.094 4.810 . 0 0 "[ . 1 . 2]" 2
62 1 8 VAL QG 1 36 LYS QB 2.715 . 3.636 2.573 2.220 2.864 . 0 0 "[ . 1 . 2]" 2
63 1 9 SER HA 1 9 SER QB 2.580 . 3.412 2.351 2.298 2.441 . 0 0 "[ . 1 . 2]" 2
64 1 9 SER QB 1 11 LEU MD2 3.058 . 4.227 2.578 2.337 3.222 . 0 0 "[ . 1 . 2]" 2
65 1 9 SER QB 1 51 ILE HB 3.468 . 4.971 4.628 4.488 4.738 . 0 0 "[ . 1 . 2]" 2
66 1 9 SER QB 1 51 ILE HG13 3.166 . 4.419 2.664 2.141 3.290 . 0 0 "[ . 1 . 2]" 2
67 1 9 SER QB 1 51 ILE HG12 3.108 . 4.316 2.009 1.853 2.295 0.047 15 0 "[ . 1 . 2]" 2
68 1 10 SER HA 1 11 LEU HG 3.048 . 4.209 3.914 3.719 4.089 . 0 0 "[ . 1 . 2]" 2
69 1 10 SER HA 1 10 SER QB 2.504 . 3.288 2.292 2.181 2.410 . 0 0 "[ . 1 . 2]" 2
70 1 10 SER QB 1 12 ARG QB 3.185 . 6.000 5.164 4.982 5.504 . 0 0 "[ . 1 . 2]" 2
71 1 10 SER QB 1 50 LYS HD3 3.371 . 6.000 4.583 3.618 5.627 . 0 0 "[ . 1 . 2]" 2
72 1 10 SER QB 1 50 LYS QE 3.364 . 4.779 3.578 2.719 4.413 . 0 0 "[ . 1 . 2]" 2
73 1 10 SER QB 1 50 LYS HG2 3.534 . 5.096 3.219 2.054 5.255 0.159 7 0 "[ . 1 . 2]" 2
74 1 11 LEU HA 1 11 LEU HB2 2.901 . 3.953 3.001 2.994 3.010 . 0 0 "[ . 1 . 2]" 2
75 1 11 LEU HB2 1 11 LEU MD1 2.467 . 3.227 2.426 2.349 2.456 . 0 0 "[ . 1 . 2]" 2
76 1 11 LEU HB2 1 13 ILE HG12 3.413 . 4.869 3.773 3.204 4.033 . 0 0 "[ . 1 . 2]" 2
77 1 11 LEU HB2 1 13 ILE HG13 3.664 . 5.342 4.339 3.900 4.579 . 0 0 "[ . 1 . 2]" 2
78 1 11 LEU HB2 1 48 TYR HA 3.771 . 5.549 4.437 4.284 4.628 . 0 0 "[ . 1 . 2]" 2
79 1 11 LEU HB3 1 11 LEU MD1 2.515 . 3.306 2.257 2.213 2.343 . 0 0 "[ . 1 . 2]" 2
80 1 11 LEU HB3 1 13 ILE HG12 3.559 . 5.142 4.761 4.245 4.989 . 0 0 "[ . 1 . 2]" 2
81 1 11 LEU HB3 1 13 ILE HG13 3.742 . 5.493 5.345 4.976 5.490 . 0 0 "[ . 1 . 2]" 2
82 1 11 LEU HB3 1 48 TYR HA 3.837 . 5.677 5.545 5.375 5.670 . 0 0 "[ . 1 . 2]" 2
83 1 11 LEU HB3 1 49 VAL HB 3.191 . 4.464 4.161 3.934 4.469 0.005 1 0 "[ . 1 . 2]" 2
84 1 11 LEU MD1 1 62 GLU HB2 2.869 . 3.898 2.545 1.972 2.640 . 0 0 "[ . 1 . 2]" 2
85 1 11 LEU HA 1 11 LEU MD2 2.584 . 3.419 2.291 2.211 2.410 . 0 0 "[ . 1 . 2]" 2
86 1 11 LEU MD2 1 58 ARG HA 2.905 . 3.960 2.687 2.288 2.955 . 0 0 "[ . 1 . 2]" 2
87 1 11 LEU HA 1 11 LEU HG 3.368 . 4.786 3.525 3.486 3.580 . 0 0 "[ . 1 . 2]" 2
88 1 12 ARG HA 1 48 TYR HA 2.765 . 3.721 2.708 2.448 2.916 . 0 0 "[ . 1 . 2]" 2
89 1 12 ARG QB 1 12 ARG HD3 3.176 . 3.411 2.599 2.283 3.294 . 0 0 "[ . 1 . 2]" 2
90 1 12 ARG HD3 1 12 ARG HG2 2.825 . 3.822 2.792 2.354 3.015 . 0 0 "[ . 1 . 2]" 2
91 1 12 ARG HD3 1 12 ARG HG3 2.881 . 3.918 2.543 2.435 3.012 . 0 0 "[ . 1 . 2]" 2
92 1 12 ARG QB 1 12 ARG HD2 2.876 . 3.833 2.942 2.223 3.309 . 0 0 "[ . 1 . 2]" 2
93 1 12 ARG HD2 1 12 ARG HG2 2.874 . 3.906 2.540 2.433 3.004 . 0 0 "[ . 1 . 2]" 2
94 1 12 ARG HD2 1 12 ARG HG3 2.902 . 3.955 2.554 2.297 3.010 . 0 0 "[ . 1 . 2]" 2
95 1 12 ARG HA 1 12 ARG HG2 3.216 . 4.509 3.003 2.676 3.290 . 0 0 "[ . 1 . 2]" 2
96 1 12 ARG HA 1 12 ARG HG3 3.142 . 4.376 2.575 2.474 2.707 . 0 0 "[ . 1 . 2]" 2
97 1 12 ARG QB 1 12 ARG HG3 2.957 . 4.050 2.323 2.280 2.396 . 0 0 "[ . 1 . 2]" 2
98 1 13 ILE HA 1 13 ILE HB 2.936 . 4.013 2.972 2.946 3.007 . 0 0 "[ . 1 . 2]" 2
99 1 13 ILE HA 1 13 ILE HG13 3.030 . 4.178 3.953 3.864 4.020 . 0 0 "[ . 1 . 2]" 2
100 1 13 ILE HA 1 14 GLU QB 3.282 . 4.629 4.363 4.025 4.485 . 0 0 "[ . 1 . 2]" 2
101 1 12 ARG HA 1 13 ILE HB 3.731 . 5.471 5.063 4.901 5.173 . 0 0 "[ . 1 . 2]" 2
102 1 13 ILE HB 1 13 ILE MG 2.394 . 3.110 2.122 2.120 2.126 . 0 0 "[ . 1 . 2]" 2
103 1 13 ILE HB 1 46 SER HA 3.809 . 5.623 4.417 4.247 4.735 . 0 0 "[ . 1 . 2]" 2
104 1 11 LEU HB2 1 13 ILE MD 2.665 . 3.553 2.008 1.907 2.141 . 0 0 "[ . 1 . 2]" 2
105 1 11 LEU HB3 1 13 ILE MD 2.743 . 3.684 2.560 2.366 2.668 . 0 0 "[ . 1 . 2]" 2
106 1 13 ILE HA 1 13 ILE MD 2.650 . 3.528 2.506 2.334 2.640 . 0 0 "[ . 1 . 2]" 2
107 1 13 ILE HB 1 13 ILE MD 2.627 . 6.000 3.249 3.243 3.255 . 0 0 "[ . 1 . 2]" 2
108 1 13 ILE MD 1 13 ILE HG12 2.367 . 3.067 2.122 2.117 2.124 . 0 0 "[ . 1 . 2]" 2
109 1 13 ILE MD 1 13 ILE HG13 2.335 . 3.017 2.125 2.121 2.128 . 0 0 "[ . 1 . 2]" 2
110 1 13 ILE MD 1 62 GLU HA 2.821 . 3.816 3.270 3.174 3.348 . 0 0 "[ . 1 . 2]" 2
111 1 13 ILE MD 1 62 GLU QG 3.028 . 3.926 2.410 2.167 2.890 . 0 0 "[ . 1 . 2]" 2
112 1 13 ILE MD 1 49 VAL HB 2.646 . 6.000 2.556 2.352 2.850 . 0 0 "[ . 1 . 2]" 2
113 1 12 ARG HA 1 13 ILE HG12 4.075 . 6.151 3.650 3.567 3.744 . 0 0 "[ . 1 . 2]" 2
114 1 13 ILE HA 1 13 ILE HG12 2.933 . 4.008 3.460 3.336 3.506 . 0 0 "[ . 1 . 2]" 2
115 1 13 ILE HB 1 13 ILE HG12 2.712 . 3.632 2.453 2.424 2.487 . 0 0 "[ . 1 . 2]" 2
116 1 13 ILE HG12 1 13 ILE MG 2.426 . 6.000 3.196 3.183 3.204 . 0 0 "[ . 1 . 2]" 2
117 1 13 ILE HG12 1 47 ALA MB 2.893 . 3.939 2.409 2.233 3.763 . 0 0 "[ . 1 . 2]" 2
118 1 12 ARG HA 1 13 ILE HG13 4.009 . 6.018 5.372 5.284 5.475 . 0 0 "[ . 1 . 2]" 2
119 1 13 ILE HB 1 13 ILE HG13 2.759 . 3.710 2.446 2.417 2.474 . 0 0 "[ . 1 . 2]" 2
120 1 13 ILE HG13 1 47 ALA MB 3.041 . 4.197 2.776 2.576 4.019 . 0 0 "[ . 1 . 2]" 2
121 1 13 ILE HA 1 13 ILE MG 2.268 . 2.911 2.188 2.160 2.271 . 0 0 "[ . 1 . 2]" 2
122 1 13 ILE HG13 1 13 ILE MG 2.480 . 3.249 2.358 2.314 2.406 . 0 0 "[ . 1 . 2]" 2
123 1 13 ILE MG 1 62 GLU HA 3.256 . 4.581 4.242 4.127 4.286 . 0 0 "[ . 1 . 2]" 2
124 1 13 ILE MG 1 62 GLU QG 3.513 . 3.804 3.213 2.792 3.555 . 0 0 "[ . 1 . 2]" 2
125 1 13 ILE MG 1 14 GLU HA 3.132 . 6.000 4.388 4.198 4.478 . 0 0 "[ . 1 . 2]" 2
126 1 14 GLU HA 1 14 GLU QB 2.509 . 3.296 2.326 2.174 2.461 . 0 0 "[ . 1 . 2]" 2
127 1 14 GLU HA 1 14 GLU HG2 2.907 . 3.964 3.176 2.429 3.816 . 0 0 "[ . 1 . 2]" 2
128 1 14 GLU HA 1 15 ILE HB 3.047 . 6.000 4.574 4.505 4.618 . 0 0 "[ . 1 . 2]" 2
129 1 14 GLU HA 1 14 GLU HG3 2.898 . 3.948 3.140 2.403 3.782 . 0 0 "[ . 1 . 2]" 2
130 1 15 ILE HA 1 15 ILE MD 3.125 . 6.000 3.825 3.798 3.870 . 0 0 "[ . 1 . 2]" 2
131 1 15 ILE HA 1 16 PRO HD3 2.292 . 2.949 1.982 1.912 2.027 . 0 0 "[ . 1 . 2]" 2
132 1 15 ILE HA 1 16 PRO HG2 3.256 . 4.581 4.407 4.372 4.441 . 0 0 "[ . 1 . 2]" 2
133 1 15 ILE HB 1 15 ILE MD 2.746 . 3.689 2.428 2.346 2.472 . 0 0 "[ . 1 . 2]" 2
134 1 15 ILE HB 1 46 SER HA 3.554 . 5.133 3.498 3.219 3.788 . 0 0 "[ . 1 . 2]" 2
135 1 15 ILE MD 1 15 ILE HG13 2.202 . 2.808 2.112 2.103 2.117 . 0 0 "[ . 1 . 2]" 2
136 1 15 ILE MD 1 21 ALA HA 2.541 . 3.348 2.408 2.070 2.784 . 0 0 "[ . 1 . 2]" 2
137 1 15 ILE MD 1 25 LEU MD1 1.946 . 2.419 2.132 2.006 2.336 . 0 0 "[ . 1 . 2]" 2
138 1 15 ILE MD 1 45 HIS HA 3.299 . 4.660 2.877 2.441 3.169 . 0 0 "[ . 1 . 2]" 2
139 1 15 ILE MD 1 46 SER HA 2.878 . 3.914 2.818 2.467 3.260 . 0 0 "[ . 1 . 2]" 2
140 1 15 ILE MD 1 47 ALA MB 2.125 . 6.000 2.604 2.121 3.200 . 0 0 "[ . 1 . 2]" 2
141 1 15 ILE HA 1 15 ILE HG12 3.036 . 4.188 2.542 2.497 2.618 . 0 0 "[ . 1 . 2]" 2
142 1 15 ILE HG12 1 46 SER HA 3.169 . 4.425 3.632 3.547 3.792 . 0 0 "[ . 1 . 2]" 2
143 1 15 ILE HA 1 15 ILE MG 2.335 . 3.017 2.479 2.452 2.502 . 0 0 "[ . 1 . 2]" 2
144 1 15 ILE HB 1 15 ILE MG 2.120 . 2.682 2.113 2.109 2.119 . 0 0 "[ . 1 . 2]" 2
145 1 15 ILE MD 1 15 ILE MG 2.208 . 6.000 2.039 1.929 2.194 . 0 0 "[ . 1 . 2]" 2
146 1 15 ILE MG 1 16 PRO HA 3.220 . 4.516 3.965 3.885 4.069 . 0 0 "[ . 1 . 2]" 2
147 1 16 PRO HA 1 16 PRO HB2 2.300 . 2.961 2.934 2.915 2.949 . 0 0 "[ . 1 . 2]" 2
148 1 16 PRO HA 1 16 PRO HB3 2.619 . 3.476 2.273 2.265 2.279 . 0 0 "[ . 1 . 2]" 2
149 1 16 PRO HA 1 16 PRO HD3 3.260 . 4.589 3.687 3.610 3.751 . 0 0 "[ . 1 . 2]" 2
150 1 16 PRO HA 1 16 PRO HG3 2.695 . 3.603 3.269 3.168 3.395 . 0 0 "[ . 1 . 2]" 2
151 1 15 ILE MG 1 16 PRO HB2 3.387 . 4.821 3.601 3.537 3.726 . 0 0 "[ . 1 . 2]" 2
152 1 16 PRO HB2 1 16 PRO HD3 3.315 . 4.688 3.955 3.931 3.993 . 0 0 "[ . 1 . 2]" 2
153 1 16 PRO HB2 1 16 PRO HD2 3.205 . 4.489 3.208 3.124 3.350 . 0 0 "[ . 1 . 2]" 2
154 1 16 PRO HB2 1 16 PRO HG3 2.388 . 3.101 2.950 2.924 2.965 . 0 0 "[ . 1 . 2]" 2
155 1 16 PRO HB2 1 19 ILE MD 3.293 . 4.648 2.006 1.875 2.163 0.063 5 0 "[ . 1 . 2]" 2
156 1 16 PRO HB2 1 19 ILE HG13 3.388 . 4.823 4.318 4.175 4.419 . 0 0 "[ . 1 . 2]" 2
157 1 16 PRO HB2 1 19 ILE HG12 3.803 . 5.611 3.441 3.200 3.864 . 0 0 "[ . 1 . 2]" 2
158 1 16 PRO HB3 1 16 PRO HG3 2.347 . 3.035 2.278 2.265 2.287 . 0 0 "[ . 1 . 2]" 2
159 1 16 PRO HB3 1 19 ILE MG 3.267 . 4.601 4.989 4.890 5.120 0.519 2 2 "[ + . - 1 . 2]" 2
160 1 15 ILE HB 1 16 PRO HD3 3.268 . 4.603 4.652 4.620 4.683 0.080 2 0 "[ . 1 . 2]" 2
161 1 15 ILE MG 1 16 PRO HD3 2.478 . 3.246 3.034 3.001 3.082 . 0 0 "[ . 1 . 2]" 2
162 1 16 PRO HB3 1 16 PRO HD3 3.026 . 4.171 3.931 3.850 3.975 . 0 0 "[ . 1 . 2]" 2
163 1 16 PRO HD3 1 16 PRO HG3 2.568 . 3.393 2.275 2.263 2.285 . 0 0 "[ . 1 . 2]" 2
164 1 16 PRO HD3 1 19 ILE HB 3.266 . 4.600 3.880 3.764 4.023 . 0 0 "[ . 1 . 2]" 2
165 1 15 ILE HA 1 16 PRO HD2 2.493 . 3.270 2.464 2.384 2.529 . 0 0 "[ . 1 . 2]" 2
166 1 15 ILE HB 1 16 PRO HD2 3.134 . 4.362 4.143 4.065 4.260 . 0 0 "[ . 1 . 2]" 2
167 1 15 ILE MD 1 16 PRO HD2 3.828 . 5.660 4.456 4.315 4.628 . 0 0 "[ . 1 . 2]" 2
168 1 15 ILE MG 1 16 PRO HD2 2.395 . 3.112 1.918 1.854 2.013 . 0 0 "[ . 1 . 2]" 2
169 1 16 PRO HB3 1 16 PRO HD2 2.942 . 4.024 3.973 3.947 4.007 . 0 0 "[ . 1 . 2]" 2
170 1 16 PRO HD2 1 16 PRO HG3 2.594 . 3.435 2.946 2.915 2.966 . 0 0 "[ . 1 . 2]" 2
171 1 16 PRO HD2 1 19 ILE HB 3.113 . 4.325 2.378 2.254 2.566 . 0 0 "[ . 1 . 2]" 2
172 1 16 PRO HG3 1 19 ILE MD 3.098 . 4.297 3.581 2.931 3.752 . 0 0 "[ . 1 . 2]" 2
173 1 16 PRO HG3 1 69 LEU QD 3.183 . 4.450 3.099 2.242 3.743 . 0 0 "[ . 1 . 2]" 2
174 1 16 PRO HA 1 16 PRO HG2 3.127 . 4.350 4.009 3.976 4.029 . 0 0 "[ . 1 . 2]" 2
175 1 16 PRO HD3 1 16 PRO HG2 2.695 . 3.603 2.745 2.721 2.783 . 0 0 "[ . 1 . 2]" 2
176 1 16 PRO HD2 1 16 PRO HG2 2.780 . 3.746 2.268 2.246 2.286 . 0 0 "[ . 1 . 2]" 2
177 1 16 PRO HG2 1 19 ILE MD 3.079 . 4.264 2.538 1.953 2.675 . 0 0 "[ . 1 . 2]" 2
178 1 16 PRO HG2 1 69 LEU QD 3.194 . 4.470 2.762 2.164 3.194 . 0 0 "[ . 1 . 2]" 2
179 1 15 ILE MG 1 17 ALA HA 3.623 . 5.264 4.441 4.206 4.635 . 0 0 "[ . 1 . 2]" 2
180 1 16 PRO HA 1 17 ALA HA 3.330 . 4.716 4.321 4.285 4.362 . 0 0 "[ . 1 . 2]" 2
181 1 16 PRO HA 1 17 ALA MB 2.836 . 6.000 4.021 3.988 4.062 . 0 0 "[ . 1 . 2]" 2
182 1 17 ALA HA 1 17 ALA MB 2.104 . 6.000 2.126 2.122 2.130 . 0 0 "[ . 1 . 2]" 2
183 1 17 ALA MB 1 18 ASP HA 3.359 . 4.769 3.926 3.732 4.015 . 0 0 "[ . 1 . 2]" 2
184 1 18 ASP HA 1 18 ASP HB3 2.340 . 3.025 2.941 2.458 3.029 0.004 20 0 "[ . 1 . 2]" 2
185 1 18 ASP HA 1 18 ASP HB2 2.298 . 2.958 2.535 2.394 3.027 0.069 17 0 "[ . 1 . 2]" 2
186 1 17 ALA MB 1 18 ASP HB3 3.619 . 5.256 4.743 4.536 5.033 . 0 0 "[ . 1 . 2]" 2
187 1 17 ALA MB 1 18 ASP HB2 3.626 . 5.270 4.142 3.884 4.406 . 0 0 "[ . 1 . 2]" 2
188 1 19 ILE HA 1 19 ILE HB 2.878 . 3.913 3.001 2.995 3.009 . 0 0 "[ . 1 . 2]" 2
189 1 19 ILE HA 1 19 ILE HG13 2.757 . 3.707 2.489 2.341 2.541 . 0 0 "[ . 1 . 2]" 2
190 1 19 ILE HA 1 19 ILE HG12 2.671 . 3.563 3.649 3.603 3.671 0.108 8 0 "[ . 1 . 2]" 2
191 1 19 ILE HB 1 19 ILE HG13 2.717 . 3.639 3.024 3.019 3.027 . 0 0 "[ . 1 . 2]" 2
192 1 16 PRO HB3 1 19 ILE MD 2.685 . 3.586 2.880 2.751 2.985 . 0 0 "[ . 1 . 2]" 2
193 1 16 PRO HD2 1 19 ILE MD 2.637 . 6.000 4.075 3.820 4.235 . 0 0 "[ . 1 . 2]" 2
194 1 19 ILE HA 1 19 ILE MD 2.577 . 3.407 2.450 2.364 2.824 . 0 0 "[ . 1 . 2]" 2
195 1 19 ILE HB 1 19 ILE MD 2.450 . 3.200 2.470 2.430 2.516 . 0 0 "[ . 1 . 2]" 2
196 1 19 ILE MD 1 19 ILE HG13 2.224 . 2.842 2.113 2.094 2.116 . 0 0 "[ . 1 . 2]" 2
197 1 19 ILE MD 1 19 ILE HG12 2.100 . 6.000 2.105 2.086 2.108 . 0 0 "[ . 1 . 2]" 2
198 1 16 PRO HD2 1 19 ILE HG13 3.567 . 5.158 4.832 4.641 5.046 . 0 0 "[ . 1 . 2]" 2
199 1 16 PRO HB3 1 19 ILE HG12 3.360 . 4.771 4.380 4.242 4.765 . 0 0 "[ . 1 . 2]" 2
200 1 16 PRO HG3 1 19 ILE HG12 3.678 . 5.369 3.791 3.737 4.011 . 0 0 "[ . 1 . 2]" 2
201 1 19 ILE HB 1 19 ILE HG12 2.908 . 3.965 2.429 2.405 2.526 . 0 0 "[ . 1 . 2]" 2
202 1 19 ILE HA 1 19 ILE MG 2.351 . 6.000 2.622 2.575 2.659 . 0 0 "[ . 1 . 2]" 2
203 1 19 ILE HB 1 19 ILE MG 2.077 . 2.616 2.124 2.122 2.126 . 0 0 "[ . 1 . 2]" 2
204 1 19 ILE MG 1 20 ALA HA 3.125 . 4.345 3.803 3.710 3.913 . 0 0 "[ . 1 . 2]" 2
205 1 20 ALA HA 1 20 ALA MB 2.108 . 2.663 2.123 2.116 2.130 . 0 0 "[ . 1 . 2]" 2
206 1 20 ALA MB 1 22 ASN HB3 3.096 . 4.294 3.286 3.023 3.570 . 0 0 "[ . 1 . 2]" 2
207 1 21 ALA HA 1 25 LEU HB3 3.201 . 4.482 3.638 3.303 3.918 . 0 0 "[ . 1 . 2]" 2
208 1 21 ALA HA 1 25 LEU HB2 3.342 . 4.738 3.461 2.986 3.946 . 0 0 "[ . 1 . 2]" 2
209 1 21 ALA HA 1 25 LEU MD1 2.378 . 3.085 2.540 2.061 2.947 . 0 0 "[ . 1 . 2]" 2
210 1 21 ALA HA 1 40 ILE MD 3.292 . 6.000 4.557 4.337 4.740 . 0 0 "[ . 1 . 2]" 2
211 1 21 ALA HA 1 40 ILE MG 3.082 . 4.270 3.283 2.881 3.708 . 0 0 "[ . 1 . 2]" 2
212 1 15 ILE MD 1 21 ALA MB 2.450 . 3.200 1.975 1.847 2.058 . 0 0 "[ . 1 . 2]" 2
213 1 20 ALA MB 1 21 ALA MB 2.798 . 6.000 4.154 3.976 4.268 . 0 0 "[ . 1 . 2]" 2
214 1 21 ALA HA 1 21 ALA MB 2.176 . 2.768 2.131 2.122 2.141 . 0 0 "[ . 1 . 2]" 2
215 1 21 ALA MB 1 40 ILE HB 3.554 . 5.133 4.499 4.273 4.729 . 0 0 "[ . 1 . 2]" 2
216 1 21 ALA MB 1 42 GLU HA 2.611 . 3.463 2.496 1.877 3.126 . 0 0 "[ . 1 . 2]" 2
217 1 20 ALA MB 1 22 ASN HB2 3.494 . 5.020 4.445 2.331 4.753 . 0 0 "[ . 1 . 2]" 2
218 1 22 ASN HA 1 22 ASN HB2 2.700 . 3.611 2.441 2.368 2.671 . 0 0 "[ . 1 . 2]" 2
219 1 22 ASN HB2 1 23 GLU HB2 3.853 . 5.709 4.435 3.845 6.367 0.658 6 1 "[ .+ 1 . 2]" 2
220 1 22 ASN HA 1 22 ASN HB3 2.632 . 3.498 2.507 2.400 2.979 . 0 0 "[ . 1 . 2]" 2
221 1 23 GLU HA 1 23 GLU HB2 2.439 . 3.183 2.487 2.445 2.577 . 0 0 "[ . 1 . 2]" 2
222 1 23 GLU HA 1 26 LYS HB3 2.519 . 3.312 2.278 2.153 2.397 . 0 0 "[ . 1 . 2]" 2
223 1 23 GLU HA 1 26 LYS HD3 2.593 . 3.433 3.489 3.256 3.829 0.396 1 0 "[ . 1 . 2]" 2
224 1 23 GLU HB3 1 23 GLU HG3 2.170 . 2.759 2.981 2.485 3.010 0.251 2 0 "[ . 1 . 2]" 2
225 1 23 GLU HA 1 23 GLU HG3 2.580 . 3.412 2.534 2.423 2.846 . 0 0 "[ . 1 . 2]" 2
226 1 23 GLU HG3 1 24 ALA MB 3.651 . 6.000 5.979 5.244 6.109 0.109 17 0 "[ . 1 . 2]" 2
227 1 23 GLU HG3 1 26 LYS HB2 3.069 . 6.000 4.211 3.936 5.046 . 0 0 "[ . 1 . 2]" 2
228 1 23 GLU HG3 1 27 VAL MG2 3.403 . 6.000 4.807 3.594 5.043 . 0 0 "[ . 1 . 2]" 2
229 1 24 ALA HA 1 27 VAL HA 3.888 . 5.777 5.659 5.534 5.751 . 0 0 "[ . 1 . 2]" 2
230 1 24 ALA HA 1 27 VAL HB 2.547 . 6.000 4.869 4.768 4.942 . 0 0 "[ . 1 . 2]" 2
231 1 24 ALA HA 1 27 VAL MG2 3.287 . 4.637 1.999 1.922 2.057 0.015 4 0 "[ . 1 . 2]" 2
232 1 24 ALA HA 1 24 ALA MB 2.016 . 2.524 2.129 2.125 2.131 . 0 0 "[ . 1 . 2]" 2
233 1 25 LEU HA 1 25 LEU HB3 2.615 . 3.470 3.023 3.021 3.026 . 0 0 "[ . 1 . 2]" 2
234 1 25 LEU HA 1 25 LEU HB2 2.478 . 3.246 2.474 2.458 2.503 . 0 0 "[ . 1 . 2]" 2
235 1 25 LEU HA 1 25 LEU MD2 2.244 . 6.000 3.463 3.367 3.836 . 0 0 "[ . 1 . 2]" 2
236 1 25 LEU HA 1 25 LEU HG 2.710 . 3.628 2.499 2.432 2.607 . 0 0 "[ . 1 . 2]" 2
237 1 25 LEU HA 1 28 ARG HB2 2.771 . 6.000 4.939 3.213 5.292 . 0 0 "[ . 1 . 2]" 2
238 1 25 LEU HA 1 28 ARG HD3 3.578 . 5.178 4.207 3.223 5.249 0.071 15 0 "[ . 1 . 2]" 2
239 1 25 LEU HA 1 28 ARG HG3 2.995 . 4.116 3.530 3.149 3.937 . 0 0 "[ . 1 . 2]" 2
240 1 25 LEU HB3 1 25 LEU MD1 2.627 . 3.490 2.709 2.674 3.037 . 0 0 "[ . 1 . 2]" 2
241 1 25 LEU HB3 1 25 LEU HG 2.883 . 3.922 2.954 2.758 2.980 . 0 0 "[ . 1 . 2]" 2
242 1 25 LEU HB3 1 40 ILE MD 3.490 . 5.012 2.502 2.362 2.642 . 0 0 "[ . 1 . 2]" 2
243 1 25 LEU HB2 1 25 LEU MD2 2.528 . 6.000 3.085 2.789 3.125 . 0 0 "[ . 1 . 2]" 2
244 1 25 LEU HB2 1 25 LEU HG 2.836 . 3.842 2.707 2.675 2.918 . 0 0 "[ . 1 . 2]" 2
245 1 25 LEU HB2 1 40 ILE MD 3.684 . 5.380 4.076 3.951 4.201 . 0 0 "[ . 1 . 2]" 2
246 1 25 LEU HA 1 25 LEU MD1 3.338 . 4.731 3.441 2.722 3.543 . 0 0 "[ . 1 . 2]" 2
247 1 25 LEU HB2 1 25 LEU MD1 2.690 . 3.594 2.131 2.115 2.152 . 0 0 "[ . 1 . 2]" 2
248 1 25 LEU MD1 1 25 LEU HG 2.415 . 3.144 2.126 2.120 2.128 . 0 0 "[ . 1 . 2]" 2
249 1 25 LEU MD1 1 29 LEU MD1 2.696 . 6.000 3.293 3.039 3.367 . 0 0 "[ . 1 . 2]" 2
250 1 25 LEU MD1 1 40 ILE MD 2.605 . 6.000 3.803 3.689 4.328 . 0 0 "[ . 1 . 2]" 2
251 1 15 ILE MD 1 25 LEU MD2 2.952 . 4.042 2.894 2.016 3.252 . 0 0 "[ . 1 . 2]" 2
252 1 21 ALA HA 1 25 LEU MD2 3.202 . 4.484 3.812 2.669 4.233 . 0 0 "[ . 1 . 2]" 2
253 1 25 LEU HB3 1 25 LEU MD2 2.583 . 3.417 2.165 2.134 2.199 . 0 0 "[ . 1 . 2]" 2
254 1 25 LEU MD2 1 25 LEU HG 2.119 . 6.000 2.128 2.122 2.130 . 0 0 "[ . 1 . 2]" 2
255 1 25 LEU MD2 1 26 LYS HA 2.956 . 4.048 2.764 2.644 3.574 . 0 0 "[ . 1 . 2]" 2
256 1 23 GLU HA 1 26 LYS HA 3.387 . 4.821 4.804 4.685 4.926 0.105 3 0 "[ . 1 . 2]" 2
257 1 25 LEU HG 1 26 LYS HA 3.381 . 4.810 4.757 4.235 4.868 0.058 10 0 "[ . 1 . 2]" 2
258 1 26 LYS HA 1 26 LYS HB3 2.718 . 3.641 3.017 3.004 3.021 . 0 0 "[ . 1 . 2]" 2
259 1 26 LYS HA 1 26 LYS HB2 2.368 . 3.069 2.411 2.380 2.461 . 0 0 "[ . 1 . 2]" 2
260 1 26 LYS HA 1 26 LYS HG2 2.583 . 3.417 3.110 3.039 3.472 0.055 3 0 "[ . 1 . 2]" 2
261 1 26 LYS HA 1 29 LEU HB2 2.792 . 3.767 3.102 3.019 3.226 . 0 0 "[ . 1 . 2]" 2
262 1 26 LYS HA 1 29 LEU MD1 2.955 . 4.046 3.505 3.377 3.670 . 0 0 "[ . 1 . 2]" 2
263 1 26 LYS HA 1 38 VAL MG1 2.422 . 3.156 1.896 1.835 2.010 . 0 0 "[ . 1 . 2]" 2
264 1 26 LYS HB3 1 26 LYS HG2 2.826 . 3.824 2.488 2.305 2.533 . 0 0 "[ . 1 . 2]" 2
265 1 26 LYS HB3 1 27 VAL MG1 3.264 . 4.595 2.997 2.905 3.076 . 0 0 "[ . 1 . 2]" 2
266 1 26 LYS HB3 1 30 LEU MD1 3.462 . 4.960 3.919 3.813 4.011 . 0 0 "[ . 1 . 2]" 2
267 1 23 GLU HA 1 26 LYS HB2 2.953 . 4.043 2.848 2.713 3.132 . 0 0 "[ . 1 . 2]" 2
268 1 26 LYS HB2 1 26 LYS HG2 2.775 . 3.738 2.996 2.975 3.002 . 0 0 "[ . 1 . 2]" 2
269 1 26 LYS HB2 1 27 VAL MG1 3.582 . 5.186 4.536 4.458 4.607 . 0 0 "[ . 1 . 2]" 2
270 1 26 LYS HB2 1 30 LEU MD1 3.456 . 4.949 4.582 4.508 4.610 . 0 0 "[ . 1 . 2]" 2
271 1 26 LYS HB2 1 38 VAL MG1 3.337 . 4.729 3.142 3.097 3.242 . 0 0 "[ . 1 . 2]" 2
272 1 23 GLU HG3 1 26 LYS HD3 3.390 . 4.826 2.491 2.133 4.374 . 0 0 "[ . 1 . 2]" 2
273 1 26 LYS HA 1 26 LYS HD3 3.368 . 4.786 4.711 4.600 4.756 . 0 0 "[ . 1 . 2]" 2
274 1 26 LYS HB3 1 26 LYS HD3 2.627 . 3.489 2.474 2.396 2.688 . 0 0 "[ . 1 . 2]" 2
275 1 26 LYS HD3 1 38 VAL MG1 2.936 . 6.000 5.161 4.694 5.425 . 0 0 "[ . 1 . 2]" 2
276 1 26 LYS HD3 1 40 ILE MD 3.544 . 5.114 4.331 3.614 4.628 . 0 0 "[ . 1 . 2]" 2
277 1 26 LYS HB3 1 26 LYS HE3 3.526 . 5.080 4.574 4.536 4.758 . 0 0 "[ . 1 . 2]" 2
278 1 26 LYS HD3 1 26 LYS HE3 2.524 . 3.320 3.013 3.008 3.015 . 0 0 "[ . 1 . 2]" 2
279 1 26 LYS HE3 1 26 LYS HG2 2.801 . 3.782 3.042 2.989 3.114 . 0 0 "[ . 1 . 2]" 2
280 1 26 LYS HE3 1 30 LEU MD1 2.856 . 3.876 2.913 2.626 3.077 . 0 0 "[ . 1 . 2]" 2
281 1 26 LYS HE3 1 30 LEU MD2 3.233 . 4.539 3.800 3.347 3.997 . 0 0 "[ . 1 . 2]" 2
282 1 26 LYS HB3 1 26 LYS HE2 3.498 . 5.028 4.312 4.095 4.422 . 0 0 "[ . 1 . 2]" 2
283 1 26 LYS HD3 1 26 LYS HE2 2.450 . 3.200 2.429 2.384 2.527 . 0 0 "[ . 1 . 2]" 2
284 1 26 LYS HE2 1 26 LYS HG2 2.801 . 3.782 2.527 2.316 2.642 . 0 0 "[ . 1 . 2]" 2
285 1 26 LYS HE2 1 30 LEU MD1 2.814 . 3.804 1.910 1.839 2.076 . 0 0 "[ . 1 . 2]" 2
286 1 26 LYS HE2 1 30 LEU MD2 3.167 . 4.421 3.577 3.231 3.724 . 0 0 "[ . 1 . 2]" 2
287 1 23 GLU HA 1 26 LYS HG3 3.968 . 5.937 4.801 4.700 5.044 . 0 0 "[ . 1 . 2]" 2
288 1 26 LYS HA 1 26 LYS HG3 2.972 . 4.076 2.699 2.528 2.790 . 0 0 "[ . 1 . 2]" 2
289 1 26 LYS HB3 1 26 LYS HG3 2.910 . 3.968 2.996 2.979 3.001 . 0 0 "[ . 1 . 2]" 2
290 1 26 LYS HD3 1 26 LYS HG3 2.367 . 3.067 3.006 2.993 3.013 . 0 0 "[ . 1 . 2]" 2
291 1 26 LYS HE3 1 26 LYS HG3 3.355 . 4.762 2.434 2.290 2.685 . 0 0 "[ . 1 . 2]" 2
292 1 26 LYS HE2 1 26 LYS HG3 3.253 . 4.576 3.037 2.984 3.127 . 0 0 "[ . 1 . 2]" 2
293 1 26 LYS HG3 1 30 LEU MD1 2.644 . 3.518 3.141 2.700 3.214 . 0 0 "[ . 1 . 2]" 2
294 1 23 GLU HA 1 26 LYS HG2 3.813 . 5.631 4.613 4.221 4.754 . 0 0 "[ . 1 . 2]" 2
295 1 26 LYS HD3 1 26 LYS HG2 2.324 . 2.999 2.421 2.365 2.531 . 0 0 "[ . 1 . 2]" 2
296 1 27 VAL HA 1 27 VAL HB 2.610 . 3.461 2.438 2.426 2.451 . 0 0 "[ . 1 . 2]" 2
297 1 27 VAL HA 1 30 LEU HB2 2.665 . 3.552 2.210 2.048 2.373 . 0 0 "[ . 1 . 2]" 2
298 1 27 VAL HA 1 30 LEU HB3 2.945 . 4.029 3.732 3.573 3.905 . 0 0 "[ . 1 . 2]" 2
299 1 27 VAL HA 1 30 LEU HG 3.225 . 4.525 3.452 3.226 3.854 . 0 0 "[ . 1 . 2]" 2
300 1 23 GLU HG3 1 27 VAL MG1 2.584 . 3.418 3.015 1.969 3.260 . 0 0 "[ . 1 . 2]" 2
301 1 24 ALA HA 1 27 VAL MG1 2.508 . 6.000 3.439 3.239 3.634 . 0 0 "[ . 1 . 2]" 2
302 1 26 LYS HD3 1 27 VAL MG1 2.923 . 6.000 3.397 3.051 4.334 . 0 0 "[ . 1 . 2]" 2
303 1 27 VAL HA 1 27 VAL MG1 2.171 . 6.000 2.344 2.324 2.359 . 0 0 "[ . 1 . 2]" 2
304 1 27 VAL HB 1 27 VAL MG1 2.076 . 6.000 2.125 2.123 2.128 . 0 0 "[ . 1 . 2]" 2
305 1 27 VAL HA 1 27 VAL MG2 2.288 . 6.000 3.211 3.206 3.215 . 0 0 "[ . 1 . 2]" 2
306 1 27 VAL HB 1 27 VAL MG2 1.908 . 2.363 2.124 2.122 2.125 . 0 0 "[ . 1 . 2]" 2
307 1 27 VAL MG2 1 28 ARG HA 3.069 . 4.246 3.341 3.288 3.395 . 0 0 "[ . 1 . 2]" 2
308 1 28 ARG HA 1 28 ARG HB3 2.417 . 3.147 2.486 2.403 2.584 . 0 0 "[ . 1 . 2]" 2
309 1 28 ARG HA 1 28 ARG HD3 2.610 . 6.000 4.711 4.021 5.485 . 0 0 "[ . 1 . 2]" 2
310 1 28 ARG HA 1 28 ARG HG3 2.511 . 6.000 3.681 3.365 3.778 . 0 0 "[ . 1 . 2]" 2
311 1 28 ARG HA 1 31 GLU HG3 3.047 . 4.208 3.152 2.672 3.736 . 0 0 "[ . 1 . 2]" 2
312 1 28 ARG HB3 1 28 ARG HD3 2.925 . 3.995 3.115 2.507 3.749 . 0 0 "[ . 1 . 2]" 2
313 1 28 ARG HB3 1 28 ARG HG3 2.333 . 3.013 3.002 2.960 3.010 . 0 0 "[ . 1 . 2]" 2
314 1 28 ARG HA 1 28 ARG HB2 2.617 . 3.473 2.439 2.343 3.022 . 0 0 "[ . 1 . 2]" 2
315 1 28 ARG HD3 1 28 ARG HG3 2.066 . 2.600 2.489 2.343 2.999 0.399 15 0 "[ . 1 . 2]" 2
316 1 28 ARG HD3 1 68 ALA MB 2.870 . 3.899 2.715 2.358 3.085 . 0 0 "[ . 1 . 2]" 2
317 1 28 ARG HD3 1 69 LEU QD 2.888 . 3.931 3.141 2.234 4.294 0.363 11 0 "[ . 1 . 2]" 2
318 1 28 ARG HB2 1 28 ARG HG3 2.214 . 2.827 2.480 2.289 2.562 . 0 0 "[ . 1 . 2]" 2
319 1 29 LEU HA 1 29 LEU HB3 2.457 . 3.212 2.446 2.411 2.481 . 0 0 "[ . 1 . 2]" 2
320 1 29 LEU HA 1 29 LEU MD1 2.998 . 6.000 3.765 3.739 3.834 . 0 0 "[ . 1 . 2]" 2
321 1 29 LEU HA 1 29 LEU MD2 2.224 . 2.842 2.038 1.807 2.089 . 0 0 "[ . 1 . 2]" 2
322 1 29 LEU HA 1 29 LEU HG 2.779 . 3.744 3.282 3.076 3.367 . 0 0 "[ . 1 . 2]" 2
323 1 29 LEU HA 1 29 LEU HB2 2.909 . 3.967 3.015 3.011 3.019 . 0 0 "[ . 1 . 2]" 2
324 1 29 LEU HB2 1 30 LEU HG 3.432 . 4.904 4.053 3.953 4.179 . 0 0 "[ . 1 . 2]" 2
325 1 29 LEU HB3 1 29 LEU HG 2.750 . 3.696 3.004 3.001 3.013 . 0 0 "[ . 1 . 2]" 2
326 1 29 LEU HB3 1 38 VAL MG2 2.562 . 3.383 2.617 2.540 2.769 . 0 0 "[ . 1 . 2]" 2
327 1 25 LEU MD2 1 29 LEU MD1 1.996 . 6.000 1.977 1.880 2.504 . 0 0 "[ . 1 . 2]" 2
328 1 25 LEU HG 1 29 LEU MD1 2.651 . 3.530 2.828 2.437 2.974 . 0 0 "[ . 1 . 2]" 2
329 1 29 LEU HB2 1 29 LEU MD1 2.490 . 3.265 2.449 2.345 2.473 . 0 0 "[ . 1 . 2]" 2
330 1 29 LEU HB3 1 29 LEU MD1 2.533 . 3.335 2.266 2.239 2.352 . 0 0 "[ . 1 . 2]" 2
331 1 29 LEU HB2 1 29 LEU MD2 2.434 . 6.000 3.179 3.174 3.184 . 0 0 "[ . 1 . 2]" 2
332 1 29 LEU HB3 1 29 LEU MD2 2.117 . 2.677 2.441 2.398 2.494 . 0 0 "[ . 1 . 2]" 2
333 1 29 LEU MD2 1 29 LEU HG 2.233 . 2.856 2.107 2.099 2.117 . 0 0 "[ . 1 . 2]" 2
334 1 29 LEU MD2 1 65 ILE HG13 2.585 . 3.420 2.438 2.124 2.770 . 0 0 "[ . 1 . 2]" 2
335 1 26 LYS HA 1 29 LEU HG 3.683 . 5.378 3.849 3.509 4.297 . 0 0 "[ . 1 . 2]" 2
336 1 29 LEU HB2 1 29 LEU HG 2.462 . 3.220 2.382 2.366 2.467 . 0 0 "[ . 1 . 2]" 2
337 1 27 VAL HA 1 30 LEU HA 3.598 . 5.216 5.025 4.863 5.233 0.017 15 0 "[ . 1 . 2]" 2
338 1 30 LEU HA 1 30 LEU HB2 2.687 . 3.589 2.983 2.977 2.988 . 0 0 "[ . 1 . 2]" 2
339 1 30 LEU HA 1 30 LEU HB3 2.526 . 3.323 2.622 2.599 2.639 . 0 0 "[ . 1 . 2]" 2
340 1 30 LEU HA 1 30 LEU HG 2.749 . 3.694 2.817 2.788 2.878 . 0 0 "[ . 1 . 2]" 2
341 1 30 LEU HA 1 35 VAL HB 3.020 . 4.160 3.050 2.875 3.170 . 0 0 "[ . 1 . 2]" 2
342 1 30 LEU HA 1 35 VAL QG 2.382 . 6.000 2.116 1.944 2.342 . 0 0 "[ . 1 . 2]" 2
343 1 30 LEU HB2 1 30 LEU HG 2.525 . 3.322 2.478 2.469 2.491 . 0 0 "[ . 1 . 2]" 2
344 1 30 LEU HB3 1 30 LEU HG 2.461 . 3.218 3.018 3.015 3.020 . 0 0 "[ . 1 . 2]" 2
345 1 26 LYS HD3 1 30 LEU MD1 2.710 . 6.000 3.266 3.077 3.759 . 0 0 "[ . 1 . 2]" 2
346 1 26 LYS HG2 1 30 LEU MD1 2.639 . 3.510 1.965 1.944 2.034 . 0 0 "[ . 1 . 2]" 2
347 1 27 VAL HA 1 30 LEU MD1 2.670 . 3.561 2.323 2.160 2.677 . 0 0 "[ . 1 . 2]" 2
348 1 30 LEU HA 1 30 LEU MD1 3.273 . 4.612 3.799 3.793 3.809 . 0 0 "[ . 1 . 2]" 2
349 1 30 LEU HB2 1 30 LEU MD1 2.449 . 3.199 2.372 2.362 2.380 . 0 0 "[ . 1 . 2]" 2
350 1 30 LEU HB3 1 30 LEU MD1 2.520 . 3.314 2.323 2.285 2.339 . 0 0 "[ . 1 . 2]" 2
351 1 30 LEU HA 1 30 LEU MD2 2.095 . 2.643 2.072 2.003 2.172 . 0 0 "[ . 1 . 2]" 2
352 1 30 LEU HB2 1 30 LEU MD2 2.474 . 6.000 3.182 3.177 3.199 . 0 0 "[ . 1 . 2]" 2
353 1 30 LEU HB3 1 30 LEU MD2 2.288 . 6.000 2.300 2.271 2.322 . 0 0 "[ . 1 . 2]" 2
354 1 30 LEU MD2 1 30 LEU HG 2.186 . 2.783 2.082 2.076 2.103 . 0 0 "[ . 1 . 2]" 2
355 1 30 LEU MD2 1 37 GLU HA 2.495 . 3.273 2.448 2.250 2.745 . 0 0 "[ . 1 . 2]" 2
356 1 30 LEU MD2 1 37 GLU QG 3.350 . 6.000 4.125 3.592 4.727 . 0 0 "[ . 1 . 2]" 2
357 1 26 LYS HG2 1 30 LEU HG 3.167 . 4.421 2.632 2.442 3.056 . 0 0 "[ . 1 . 2]" 2
358 1 29 LEU HB3 1 30 LEU HG 3.250 . 6.000 5.237 5.135 5.335 . 0 0 "[ . 1 . 2]" 2
359 1 31 GLU HA 1 31 GLU HB3 2.352 . 3.043 2.451 2.408 2.499 . 0 0 "[ . 1 . 2]" 2
360 1 31 GLU HA 1 31 GLU HG3 2.777 . 3.741 3.489 3.140 3.796 0.055 15 0 "[ . 1 . 2]" 2
361 1 31 GLU HA 1 31 GLU HG2 2.440 . 3.184 2.776 2.517 3.090 . 0 0 "[ . 1 . 2]" 2
362 1 31 GLU HA 1 31 GLU HB2 2.658 . 3.541 3.020 3.015 3.027 . 0 0 "[ . 1 . 2]" 2
363 1 31 GLU HB2 1 31 GLU HG3 2.690 . 3.594 2.382 2.328 2.458 . 0 0 "[ . 1 . 2]" 2
364 1 27 VAL MG2 1 31 GLU HG3 3.202 . 6.000 4.932 4.637 5.247 . 0 0 "[ . 1 . 2]" 2
365 1 31 GLU HB3 1 31 GLU HG3 2.456 . 3.210 2.746 2.442 3.011 . 0 0 "[ . 1 . 2]" 2
366 1 28 ARG HA 1 31 GLU HG2 3.273 . 4.612 3.955 3.113 4.670 0.058 3 0 "[ . 1 . 2]" 2
367 1 32 THR HA 1 32 THR HB 2.329 . 3.007 3.022 3.003 3.028 0.021 16 0 "[ . 1 . 2]" 2
368 1 32 THR HA 1 33 GLU HB3 3.348 . 4.749 4.775 4.623 4.939 0.190 10 0 "[ . 1 . 2]" 2
369 1 32 THR HA 1 33 GLU HB2 3.549 . 5.123 4.481 4.200 4.681 . 0 0 "[ . 1 . 2]" 2
370 1 32 THR HA 1 35 VAL QG 2.885 . 6.000 3.653 3.546 4.090 . 0 0 "[ . 1 . 2]" 2
371 1 32 THR HB 1 35 VAL HB 3.074 . 4.255 4.183 3.500 4.306 0.051 7 0 "[ . 1 . 2]" 2
372 1 32 THR HA 1 32 THR MG 2.273 . 6.000 2.240 2.198 2.331 . 0 0 "[ . 1 . 2]" 2
373 1 32 THR HB 1 32 THR MG 2.248 . 2.880 2.100 2.083 2.118 . 0 0 "[ . 1 . 2]" 2
374 1 32 THR MG 1 35 VAL HB 3.314 . 6.000 5.331 4.574 5.490 . 0 0 "[ . 1 . 2]" 2
375 1 32 THR MG 1 61 VAL HA 2.964 . 4.062 3.165 2.793 3.408 . 0 0 "[ . 1 . 2]" 2
376 1 32 THR MG 1 61 VAL HB 2.982 . 6.000 4.008 3.816 4.177 . 0 0 "[ . 1 . 2]" 2
377 1 32 THR MG 1 64 ALA MB 2.248 . 2.880 1.920 1.833 2.039 . 0 0 "[ . 1 . 2]" 2
378 1 32 THR MG 1 65 ILE HA 3.349 . 4.751 3.145 2.838 4.107 . 0 0 "[ . 1 . 2]" 2
379 1 32 THR MG 1 65 ILE MD 2.178 . 2.771 2.293 2.072 2.600 . 0 0 "[ . 1 . 2]" 2
380 1 32 THR MG 1 65 ILE HG13 2.819 . 3.812 2.728 2.275 3.558 . 0 0 "[ . 1 . 2]" 2
381 1 33 GLU HA 1 33 GLU HB3 2.390 . 3.104 3.019 2.997 3.025 . 0 0 "[ . 1 . 2]" 2
382 1 33 GLU HA 1 33 GLU HB2 2.524 . 3.320 2.460 2.397 2.595 . 0 0 "[ . 1 . 2]" 2
383 1 33 GLU HA 1 34 GLY HA3 2.928 . 6.000 4.371 4.347 4.386 . 0 0 "[ . 1 . 2]" 2
384 1 33 GLU HB2 1 33 GLU HG3 2.024 . 2.536 2.583 2.373 3.012 0.476 17 0 "[ . 1 . 2]" 2
385 1 33 GLU HA 1 33 GLU HG3 2.489 . 3.263 2.756 2.523 3.672 0.409 10 0 "[ . 1 . 2]" 2
386 1 34 GLY HA3 1 52 ASP HB3 3.212 . 4.502 3.733 3.380 3.925 . 0 0 "[ . 1 . 2]" 2
387 1 34 GLY HA3 1 52 ASP HB2 3.453 . 4.944 4.939 4.635 5.020 0.076 18 0 "[ . 1 . 2]" 2
388 1 34 GLY HA3 1 55 VAL HB 3.207 . 6.000 5.396 5.152 5.621 . 0 0 "[ . 1 . 2]" 2
389 1 34 GLY HA3 1 55 VAL MG1 2.731 . 3.663 2.485 2.258 2.704 . 0 0 "[ . 1 . 2]" 2
390 1 33 GLU HA 1 34 GLY HA2 2.997 . 6.000 4.337 4.316 4.366 . 0 0 "[ . 1 . 2]" 2
391 1 33 GLU HG3 1 34 GLY HA2 3.628 . 5.274 4.634 3.852 6.074 0.800 10 1 "[ . + . 2]" 2
392 1 34 GLY HA2 1 52 ASP HB3 3.092 . 4.287 2.948 2.649 3.184 . 0 0 "[ . 1 . 2]" 2
393 1 34 GLY HA2 1 52 ASP HB2 3.240 . 4.552 3.960 3.595 4.232 . 0 0 "[ . 1 . 2]" 2
394 1 34 GLY HA2 1 55 VAL HB 3.176 . 4.437 4.507 4.468 4.552 0.115 13 0 "[ . 1 . 2]" 2
395 1 34 GLY HA2 1 55 VAL MG1 2.745 . 3.687 2.006 1.924 2.088 . 0 0 "[ . 1 . 2]" 2
396 1 34 GLY HA2 1 56 THR MG 2.863 . 6.000 3.113 2.733 3.597 . 0 0 "[ . 1 . 2]" 2
397 1 35 VAL HA 1 36 LYS HG2 3.118 . 4.333 3.950 3.698 4.272 . 0 0 "[ . 1 . 2]" 2
398 1 35 VAL HA 1 51 ILE HA 2.624 . 3.485 2.634 2.342 2.968 . 0 0 "[ . 1 . 2]" 2
399 1 35 VAL HA 1 51 ILE HB 3.405 . 4.854 4.295 3.886 4.872 0.018 1 0 "[ . 1 . 2]" 2
400 1 30 LEU MD2 1 35 VAL HB 3.021 . 4.162 3.161 2.768 3.682 . 0 0 "[ . 1 . 2]" 2
401 1 35 VAL HA 1 35 VAL HB 2.776 . 3.739 2.531 2.416 3.018 . 0 0 "[ . 1 . 2]" 2
402 1 32 THR HB 1 35 VAL QG 2.376 . 3.082 1.748 1.718 1.822 . 0 0 "[ . 1 . 2]" 2
403 1 35 VAL HA 1 35 VAL QG 2.013 . 2.520 2.285 2.107 2.344 . 0 0 "[ . 1 . 2]" 2
404 1 35 VAL HB 1 35 VAL QG 2.057 . 2.586 1.886 1.867 1.894 . 0 0 "[ . 1 . 2]" 2
405 1 36 LYS HA 1 36 LYS QB 2.416 . 3.146 2.390 2.345 2.458 . 0 0 "[ . 1 . 2]" 2
406 1 36 LYS HA 1 36 LYS HD2 2.651 . 3.529 2.293 1.937 3.514 . 0 0 "[ . 1 . 2]" 2
407 1 36 LYS HA 1 36 LYS HG2 2.382 . 3.091 3.005 2.739 3.142 0.051 1 0 "[ . 1 . 2]" 2
408 1 35 VAL HA 1 36 LYS QB 4.108 . 5.566 4.351 4.175 4.455 . 0 0 "[ . 1 . 2]" 2
409 1 36 LYS QB 1 36 LYS HD2 2.846 . 3.859 2.717 2.312 2.949 . 0 0 "[ . 1 . 2]" 2
410 1 36 LYS QB 1 36 LYS HD3 2.712 . 3.631 3.310 2.581 3.514 . 0 0 "[ . 1 . 2]" 2
411 1 36 LYS QB 1 36 LYS HE3 3.890 . 4.949 2.643 1.997 4.421 0.001 6 0 "[ . 1 . 2]" 2
412 1 36 LYS QB 1 36 LYS HE2 3.880 . 4.643 3.308 2.789 4.202 . 0 0 "[ . 1 . 2]" 2
413 1 36 LYS QB 1 51 ILE HA 3.998 . 5.996 3.913 3.440 4.381 . 0 0 "[ . 1 . 2]" 2
414 1 36 LYS HA 1 36 LYS HD3 2.882 . 3.920 3.133 1.972 3.607 . 0 0 "[ . 1 . 2]" 2
415 1 36 LYS HD3 1 36 LYS HG2 2.213 . 2.825 2.400 2.303 2.550 . 0 0 "[ . 1 . 2]" 2
416 1 36 LYS HD3 1 52 ASP HB2 3.600 . 5.220 2.575 1.908 4.286 0.072 2 0 "[ . 1 . 2]" 2
417 1 36 LYS HD2 1 36 LYS HG2 2.242 . 2.870 2.634 2.437 2.997 0.127 18 0 "[ . 1 . 2]" 2
418 1 36 LYS HA 1 36 LYS HE3 3.552 . 5.129 3.446 2.591 4.850 . 0 0 "[ . 1 . 2]" 2
419 1 36 LYS HD3 1 36 LYS HE3 2.860 . 3.882 2.991 2.568 3.018 . 0 0 "[ . 1 . 2]" 2
420 1 36 LYS HE3 1 36 LYS HG2 3.019 . 4.158 3.585 2.946 3.778 . 0 0 "[ . 1 . 2]" 2
421 1 36 LYS HA 1 36 LYS HE2 3.488 . 5.008 4.209 3.945 4.635 . 0 0 "[ . 1 . 2]" 2
422 1 36 LYS HD3 1 36 LYS HE2 2.592 . 3.432 2.480 2.410 2.994 . 0 0 "[ . 1 . 2]" 2
423 1 36 LYS HE2 1 36 LYS HG2 2.857 . 3.877 3.345 2.521 3.717 . 0 0 "[ . 1 . 2]" 2
424 1 36 LYS QB 1 36 LYS HG2 2.646 . 3.521 2.353 2.316 2.416 . 0 0 "[ . 1 . 2]" 2
425 1 36 LYS HG2 1 52 ASP HB3 3.477 . 4.988 3.912 3.753 4.122 . 0 0 "[ . 1 . 2]" 2
426 1 35 VAL HA 1 36 LYS HG3 3.801 . 5.607 5.549 5.349 5.652 0.045 9 0 "[ . 1 . 2]" 2
427 1 36 LYS HA 1 36 LYS HG3 3.031 . 4.179 3.732 3.677 3.808 . 0 0 "[ . 1 . 2]" 2
428 1 36 LYS QB 1 36 LYS HG3 2.630 . 3.495 2.162 2.155 2.166 . 0 0 "[ . 1 . 2]" 2
429 1 36 LYS HD3 1 36 LYS HG3 2.298 . 2.958 2.643 2.451 3.007 0.049 12 0 "[ . 1 . 2]" 2
430 1 36 LYS HG3 1 51 ILE HA 3.754 . 5.515 4.538 4.024 5.137 . 0 0 "[ . 1 . 2]" 2
431 1 36 LYS HG3 1 52 ASP HB3 3.491 . 5.015 4.807 4.486 5.058 0.043 16 0 "[ . 1 . 2]" 2
432 1 36 LYS HG3 1 52 ASP HB2 3.612 . 5.243 3.178 2.807 3.535 . 0 0 "[ . 1 . 2]" 2
433 1 37 GLU HA 1 37 GLU HB2 2.686 . 3.588 2.402 2.310 2.478 . 0 0 "[ . 1 . 2]" 2
434 1 37 GLU HA 1 37 GLU HB3 2.657 . 3.539 3.019 2.986 3.028 . 0 0 "[ . 1 . 2]" 2
435 1 37 GLU HA 1 37 GLU QG 2.595 . 3.437 2.746 2.497 3.065 . 0 0 "[ . 1 . 2]" 2
436 1 37 GLU HB2 1 37 GLU QG 2.370 . 3.072 2.365 2.325 2.404 . 0 0 "[ . 1 . 2]" 2
437 1 37 GLU HB2 1 50 LYS QB 2.862 . 6.000 3.730 3.308 4.023 . 0 0 "[ . 1 . 2]" 2
438 1 37 GLU HB3 1 37 GLU QG 2.321 . 2.994 2.233 2.148 2.317 . 0 0 "[ . 1 . 2]" 2
439 1 36 LYS QB 1 37 GLU QG 2.975 . 6.000 4.925 4.740 5.075 . 0 0 "[ . 1 . 2]" 2
440 1 37 GLU QG 1 39 LEU MD1 3.204 . 4.487 2.779 1.793 4.126 0.128 2 0 "[ . 1 . 2]" 2
441 1 37 GLU QG 1 50 LYS QB 3.021 . 4.162 3.693 2.898 3.992 . 0 0 "[ . 1 . 2]" 2
442 1 26 LYS HA 1 38 VAL HB 3.873 . 5.748 2.733 2.325 3.065 . 0 0 "[ . 1 . 2]" 2
443 1 26 LYS HE3 1 38 VAL HB 3.577 . 5.176 3.514 3.166 3.783 . 0 0 "[ . 1 . 2]" 2
444 1 26 LYS HG3 1 38 VAL HB 2.860 . 3.882 1.863 1.757 1.931 0.081 4 0 "[ . 1 . 2]" 2
445 1 37 GLU HA 1 38 VAL HB 3.665 . 5.344 4.603 4.543 4.665 . 0 0 "[ . 1 . 2]" 2
446 1 26 LYS HB3 1 38 VAL MG1 3.404 . 4.853 4.242 4.166 4.327 . 0 0 "[ . 1 . 2]" 2
447 1 29 LEU HB2 1 38 VAL MG1 2.620 . 6.000 2.238 2.076 2.412 . 0 0 "[ . 1 . 2]" 2
448 1 38 VAL HA 1 38 VAL MG1 2.334 . 3.015 2.392 2.355 2.436 . 0 0 "[ . 1 . 2]" 2
449 1 38 VAL HB 1 38 VAL MG1 2.145 . 2.720 2.129 2.122 2.135 . 0 0 "[ . 1 . 2]" 2
450 1 38 VAL MG1 1 49 VAL HA 3.337 . 4.729 3.290 3.059 3.482 . 0 0 "[ . 1 . 2]" 2
451 1 26 LYS HA 1 38 VAL MG2 3.160 . 4.408 3.330 3.117 3.517 . 0 0 "[ . 1 . 2]" 2
452 1 29 LEU HB2 1 38 VAL MG2 2.371 . 3.074 2.108 1.926 2.321 . 0 0 "[ . 1 . 2]" 2
453 1 38 VAL HA 1 38 VAL MG2 2.410 . 3.136 2.435 2.410 2.463 . 0 0 "[ . 1 . 2]" 2
454 1 38 VAL HB 1 38 VAL MG2 2.154 . 6.000 2.121 2.112 2.127 . 0 0 "[ . 1 . 2]" 2
455 1 38 VAL MG2 1 49 VAL HA 2.907 . 3.964 3.061 2.816 3.280 . 0 0 "[ . 1 . 2]" 2
456 1 39 LEU QB 1 39 LEU MD1 2.882 . 3.281 2.138 1.968 2.282 . 0 0 "[ . 1 . 2]" 2
457 1 39 LEU QB 1 48 TYR HB2 3.130 . 4.252 1.899 1.810 2.015 0.095 17 0 "[ . 1 . 2]" 2
458 1 39 LEU HA 1 39 LEU MD1 2.830 . 3.831 3.115 2.656 3.599 . 0 0 "[ . 1 . 2]" 2
459 1 39 LEU MD1 1 48 TYR HB2 3.197 . 4.475 3.412 2.977 4.162 . 0 0 "[ . 1 . 2]" 2
460 1 39 LEU HA 1 39 LEU MD2 2.968 . 4.069 3.487 3.006 3.737 . 0 0 "[ . 1 . 2]" 2
461 1 39 LEU QB 1 39 LEU MD2 2.562 . 3.383 2.050 1.969 2.180 . 0 0 "[ . 1 . 2]" 2
462 1 39 LEU MD2 1 39 LEU HG 2.426 . 3.162 2.110 2.086 2.129 . 0 0 "[ . 1 . 2]" 2
463 1 39 LEU MD2 1 48 TYR HB2 2.909 . 3.967 2.804 2.395 3.335 . 0 0 "[ . 1 . 2]" 2
464 1 39 LEU HA 1 39 LEU HG 2.893 . 3.939 2.435 2.303 2.483 . 0 0 "[ . 1 . 2]" 2
465 1 39 LEU QB 1 39 LEU HG 2.300 . 2.962 2.434 2.380 2.527 . 0 0 "[ . 1 . 2]" 2
466 1 39 LEU HG 1 48 TYR HB2 3.523 . 5.075 4.653 4.340 4.999 . 0 0 "[ . 1 . 2]" 2
467 1 40 ILE HA 1 40 ILE HB 2.995 . 4.116 2.996 2.974 3.015 . 0 0 "[ . 1 . 2]" 2
468 1 40 ILE HA 1 40 ILE HG12 3.129 . 4.353 3.628 3.593 3.657 . 0 0 "[ . 1 . 2]" 2
469 1 40 ILE HA 1 47 ALA HA 2.554 . 3.369 2.520 2.323 2.660 . 0 0 "[ . 1 . 2]" 2
470 1 39 LEU HA 1 40 ILE HB 3.459 . 4.954 4.432 4.323 4.530 . 0 0 "[ . 1 . 2]" 2
471 1 23 GLU HA 1 40 ILE MD 3.759 . 5.525 3.304 3.080 3.624 . 0 0 "[ . 1 . 2]" 2
472 1 26 LYS HA 1 40 ILE MD 2.821 . 3.816 2.719 2.518 2.863 . 0 0 "[ . 1 . 2]" 2
473 1 26 LYS HB3 1 40 ILE MD 3.339 . 4.733 3.170 2.986 3.246 . 0 0 "[ . 1 . 2]" 2
474 1 26 LYS HB2 1 40 ILE MD 2.508 . 3.294 1.919 1.757 2.071 . 0 0 "[ . 1 . 2]" 2
475 1 38 VAL MG1 1 40 ILE MD 2.069 . 2.604 2.279 1.987 2.404 . 0 0 "[ . 1 . 2]" 2
476 1 40 ILE HA 1 40 ILE MD 2.360 . 3.056 2.512 2.368 2.675 . 0 0 "[ . 1 . 2]" 2
477 1 40 ILE HB 1 40 ILE MD 2.539 . 3.345 2.404 2.373 2.448 . 0 0 "[ . 1 . 2]" 2
478 1 40 ILE MD 1 40 ILE HG13 2.399 . 3.118 2.106 2.099 2.111 . 0 0 "[ . 1 . 2]" 2
479 1 40 ILE MD 1 40 ILE HG12 2.423 . 3.157 2.097 2.090 2.105 . 0 0 "[ . 1 . 2]" 2
480 1 40 ILE MD 1 47 ALA HA 2.888 . 3.931 3.842 3.799 3.943 0.012 3 0 "[ . 1 . 2]" 2
481 1 40 ILE MD 1 47 ALA MB 2.238 . 6.000 2.991 2.381 3.193 . 0 0 "[ . 1 . 2]" 2
482 1 39 LEU HA 1 40 ILE HG13 3.791 . 6.000 5.798 5.623 5.951 . 0 0 "[ . 1 . 2]" 2
483 1 40 ILE HA 1 40 ILE HG13 3.103 . 4.306 2.434 2.376 2.480 . 0 0 "[ . 1 . 2]" 2
484 1 40 ILE HB 1 40 ILE HG13 2.600 . 3.445 3.026 3.019 3.031 . 0 0 "[ . 1 . 2]" 2
485 1 26 LYS HB3 1 40 ILE HG12 3.573 . 5.169 4.976 4.694 5.183 0.014 13 0 "[ . 1 . 2]" 2
486 1 39 LEU HA 1 40 ILE HG12 3.948 . 5.896 5.973 5.944 6.005 0.109 3 0 "[ . 1 . 2]" 2
487 1 40 ILE HB 1 40 ILE HG12 2.694 . 3.601 2.446 2.409 2.479 . 0 0 "[ . 1 . 2]" 2
488 1 21 ALA MB 1 40 ILE MG 2.210 . 2.821 2.008 1.895 2.177 . 0 0 "[ . 1 . 2]" 2
489 1 40 ILE HA 1 40 ILE MG 2.306 . 2.971 2.591 2.471 2.699 . 0 0 "[ . 1 . 2]" 2
490 1 40 ILE HB 1 40 ILE MG 2.142 . 6.000 2.112 2.106 2.120 . 0 0 "[ . 1 . 2]" 2
491 1 40 ILE HG13 1 40 ILE MG 2.435 . 3.176 2.428 2.377 2.466 . 0 0 "[ . 1 . 2]" 2
492 1 40 ILE HG12 1 40 ILE MG 2.616 . 3.472 2.259 2.214 2.308 . 0 0 "[ . 1 . 2]" 2
493 1 40 ILE MG 1 41 ALA HA 3.160 . 4.408 3.360 3.214 3.520 . 0 0 "[ . 1 . 2]" 2
494 1 40 ILE MG 1 42 GLU HA 2.817 . 3.809 3.200 2.848 3.534 . 0 0 "[ . 1 . 2]" 2
495 1 40 ILE MG 1 42 GLU HB2 2.898 . 6.000 3.320 2.620 4.002 . 0 0 "[ . 1 . 2]" 2
496 1 40 ILE MG 1 42 GLU HG2 2.668 . 3.558 3.007 2.365 4.204 0.646 20 3 "[ . * 1 -. +]" 2
497 1 40 ILE MG 1 47 ALA HA 3.365 . 4.780 4.341 4.077 4.493 . 0 0 "[ . 1 . 2]" 2
498 1 40 ILE HA 1 41 ALA MB 3.060 . 6.000 4.001 3.940 4.036 . 0 0 "[ . 1 . 2]" 2
499 1 40 ILE MG 1 41 ALA MB 3.326 . 4.708 3.936 3.892 3.989 . 0 0 "[ . 1 . 2]" 2
500 1 41 ALA HA 1 41 ALA MB 2.090 . 6.000 2.134 2.130 2.137 . 0 0 "[ . 1 . 2]" 2
501 1 41 ALA MB 1 44 GLU HB2 2.550 . 3.363 2.426 2.018 2.933 . 0 0 "[ . 1 . 2]" 2
502 1 41 ALA MB 1 44 GLU HG3 2.905 . 3.960 3.124 2.509 4.066 0.106 5 0 "[ . 1 . 2]" 2
503 1 41 ALA MB 1 44 GLU HG2 2.662 . 6.000 3.226 2.317 4.360 . 0 0 "[ . 1 . 2]" 2
504 1 41 ALA MB 1 45 HIS HA 2.956 . 6.000 4.887 4.700 5.150 . 0 0 "[ . 1 . 2]" 2
505 1 41 ALA MB 1 47 ALA HA 3.305 . 4.670 3.646 3.158 3.946 . 0 0 "[ . 1 . 2]" 2
506 1 15 ILE MD 1 42 GLU HA 3.699 . 5.409 3.864 3.498 4.196 . 0 0 "[ . 1 . 2]" 2
507 1 41 ALA HA 1 42 GLU HA 3.424 . 4.889 4.498 4.427 4.545 . 0 0 "[ . 1 . 2]" 2
508 1 42 GLU HA 1 42 GLU HG2 2.480 . 3.249 2.524 2.303 2.694 . 0 0 "[ . 1 . 2]" 2
509 1 21 ALA MB 1 42 GLU HB2 3.109 . 4.317 3.831 3.571 4.042 . 0 0 "[ . 1 . 2]" 2
510 1 41 ALA HA 1 42 GLU HB2 3.353 . 4.758 4.425 4.260 4.652 . 0 0 "[ . 1 . 2]" 2
511 1 21 ALA MB 1 42 GLU HG2 3.003 . 4.130 2.076 1.822 2.924 0.054 17 0 "[ . 1 . 2]" 2
512 1 41 ALA HA 1 42 GLU HG2 3.370 . 6.000 5.792 5.358 6.628 0.628 20 3 "[ . - 1 *. +]" 2
513 1 43 GLU HA 1 43 GLU HB3 2.127 . 2.692 2.652 2.393 3.027 0.335 20 0 "[ . 1 . 2]" 2
514 1 43 GLU HA 1 43 GLU HG2 2.613 . 3.466 3.149 2.331 3.769 0.303 2 0 "[ . 1 . 2]" 2
515 1 43 GLU HB3 1 43 GLU HG2 1.900 . 2.351 2.465 2.270 3.004 0.653 3 2 "[ + . 1 - . 2]" 2
516 1 43 GLU HA 1 43 GLU HG3 2.882 . 3.920 3.011 2.417 3.730 . 0 0 "[ . 1 . 2]" 2
517 1 44 GLU HA 1 44 GLU HB3 2.409 . 3.134 2.573 2.424 3.028 . 0 0 "[ . 1 . 2]" 2
518 1 44 GLU HA 1 44 GLU HB2 2.692 . 3.598 2.918 2.481 3.028 . 0 0 "[ . 1 . 2]" 2
519 1 44 GLU HA 1 44 GLU HG3 2.581 . 3.414 3.492 3.015 3.813 0.399 6 0 "[ . 1 . 2]" 2
520 1 41 ALA MB 1 44 GLU HB3 3.127 . 4.349 3.414 1.869 4.063 0.036 2 0 "[ . 1 . 2]" 2
521 1 44 GLU HB3 1 44 GLU HG3 2.411 . 3.137 2.587 2.406 3.008 . 0 0 "[ . 1 . 2]" 2
522 1 44 GLU HB2 1 44 GLU HG3 2.466 . 3.226 2.520 2.308 3.008 . 0 0 "[ . 1 . 2]" 2
523 1 44 GLU HG3 1 46 SER QB 3.497 . 5.026 3.750 2.128 4.798 . 0 0 "[ . 1 . 2]" 2
524 1 44 GLU HA 1 44 GLU HG2 2.818 . 3.811 3.092 2.503 3.789 . 0 0 "[ . 1 . 2]" 2
525 1 44 GLU HG2 1 46 SER QB 3.506 . 5.042 4.339 2.541 4.967 . 0 0 "[ . 1 . 2]" 2
526 1 21 ALA MB 1 45 HIS HA 3.052 . 4.216 3.072 2.678 3.405 . 0 0 "[ . 1 . 2]" 2
527 1 45 HIS HA 1 45 HIS HB3 2.502 . 3.284 3.018 2.993 3.031 . 0 0 "[ . 1 . 2]" 2
528 1 45 HIS HA 1 45 HIS HB2 2.572 . 3.399 2.571 2.510 2.648 . 0 0 "[ . 1 . 2]" 2
529 1 14 GLU HA 1 46 SER HA 2.515 . 3.306 3.023 2.610 3.338 0.032 7 0 "[ . 1 . 2]" 2
530 1 15 ILE HG13 1 46 SER HA 2.680 . 3.578 1.937 1.891 2.082 . 0 0 "[ . 1 . 2]" 2
531 1 46 SER HA 1 47 ALA MB 2.863 . 6.000 3.920 3.863 3.970 . 0 0 "[ . 1 . 2]" 2
532 1 12 ARG HG2 1 46 SER QB 2.920 . 3.986 2.603 2.073 3.534 . 0 0 "[ . 1 . 2]" 2
533 1 12 ARG HG3 1 46 SER QB 2.959 . 4.053 2.712 2.135 3.530 . 0 0 "[ . 1 . 2]" 2
534 1 14 GLU HA 1 46 SER QB 2.913 . 6.000 3.386 3.094 3.659 . 0 0 "[ . 1 . 2]" 2
535 1 41 ALA MB 1 46 SER QB 2.729 . 3.660 2.838 2.317 3.336 . 0 0 "[ . 1 . 2]" 2
536 1 44 GLU HB3 1 46 SER QB 2.882 . 3.920 2.795 2.402 3.184 . 0 0 "[ . 1 . 2]" 2
537 1 44 GLU HB2 1 46 SER QB 2.970 . 4.073 2.780 2.243 3.919 . 0 0 "[ . 1 . 2]" 2
538 1 46 SER HA 1 46 SER QB 2.401 . 3.121 2.362 2.334 2.395 . 0 0 "[ . 1 . 2]" 2
539 1 47 ALA HA 1 48 TYR HB2 3.640 . 5.297 4.549 4.467 4.678 . 0 0 "[ . 1 . 2]" 2
540 1 13 ILE HB 1 47 ALA MB 2.551 . 6.000 2.425 2.206 3.111 . 0 0 "[ . 1 . 2]" 2
541 1 15 ILE HG13 1 47 ALA MB 2.626 . 3.488 3.337 3.131 3.532 0.044 1 0 "[ . 1 . 2]" 2
542 1 40 ILE HA 1 47 ALA MB 2.743 . 3.683 3.189 2.275 3.380 . 0 0 "[ . 1 . 2]" 2
543 1 47 ALA HA 1 47 ALA MB 2.294 . 2.952 2.128 2.118 2.133 . 0 0 "[ . 1 . 2]" 2
544 1 48 TYR HA 1 48 TYR HB2 2.874 . 3.906 3.020 3.006 3.030 . 0 0 "[ . 1 . 2]" 2
545 1 48 TYR HA 1 48 TYR HB3 2.772 . 3.733 2.552 2.497 2.607 . 0 0 "[ . 1 . 2]" 2
546 1 48 TYR HA 1 48 TYR QD 3.117 . 4.331 3.016 2.836 3.140 . 0 0 "[ . 1 . 2]" 2
547 1 48 TYR HA 1 49 VAL HB 3.014 . 6.000 4.653 4.591 4.748 . 0 0 "[ . 1 . 2]" 2
548 1 48 TYR HA 1 49 VAL MG2 2.737 . 3.673 3.609 3.563 3.664 . 0 0 "[ . 1 . 2]" 2
549 1 48 TYR HB2 1 48 TYR QD 2.956 . 4.048 2.464 2.365 2.653 . 0 0 "[ . 1 . 2]" 2
550 1 39 LEU QB 1 48 TYR HB3 3.283 . 4.630 3.223 3.039 3.549 . 0 0 "[ . 1 . 2]" 2
551 1 39 LEU MD2 1 48 TYR HB3 3.557 . 5.139 3.793 3.193 4.728 . 0 0 "[ . 1 . 2]" 2
552 1 48 TYR HB3 1 48 TYR QD 3.044 . 4.202 2.350 2.279 2.429 . 0 0 "[ . 1 . 2]" 2
553 1 38 VAL HA 1 49 VAL HA 2.659 . 3.543 2.220 2.166 2.283 . 0 0 "[ . 1 . 2]" 2
554 1 49 VAL HA 1 49 VAL HB 2.728 . 3.658 3.018 3.015 3.024 . 0 0 "[ . 1 . 2]" 2
555 1 49 VAL HA 1 49 VAL MG2 2.454 . 3.207 2.442 2.398 2.488 . 0 0 "[ . 1 . 2]" 2
556 1 11 LEU HB2 1 49 VAL HB 2.800 . 3.780 2.482 2.259 2.774 . 0 0 "[ . 1 . 2]" 2
557 1 35 VAL HA 1 49 VAL MG1 2.974 . 4.079 3.362 3.224 3.665 . 0 0 "[ . 1 . 2]" 2
558 1 38 VAL HA 1 49 VAL MG1 2.924 . 3.993 3.279 2.991 3.493 . 0 0 "[ . 1 . 2]" 2
559 1 49 VAL HA 1 49 VAL MG1 2.372 . 3.075 2.359 2.325 2.392 . 0 0 "[ . 1 . 2]" 2
560 1 49 VAL HB 1 49 VAL MG1 2.215 . 2.828 2.115 2.112 2.119 . 0 0 "[ . 1 . 2]" 2
561 1 11 LEU HG 1 49 VAL MG2 2.783 . 6.000 4.621 4.272 4.965 . 0 0 "[ . 1 . 2]" 2
562 1 38 VAL HA 1 49 VAL MG2 3.173 . 4.432 3.052 2.855 3.267 . 0 0 "[ . 1 . 2]" 2
563 1 49 VAL HB 1 49 VAL MG2 2.208 . 2.817 2.125 2.122 2.129 . 0 0 "[ . 1 . 2]" 2
564 1 50 LYS HA 1 50 LYS QB 2.625 . 3.486 2.388 2.339 2.498 . 0 0 "[ . 1 . 2]" 2
565 1 50 LYS HA 1 50 LYS HG3 2.933 . 4.008 3.130 2.383 3.763 . 0 0 "[ . 1 . 2]" 2
566 1 50 LYS HA 1 50 LYS HG2 3.018 . 4.156 2.566 2.411 2.883 . 0 0 "[ . 1 . 2]" 2
567 1 50 LYS HA 1 51 ILE HG12 3.244 . 4.560 4.164 3.888 4.512 . 0 0 "[ . 1 . 2]" 2
568 1 50 LYS HA 1 51 ILE MG 3.444 . 4.927 3.623 3.169 3.977 . 0 0 "[ . 1 . 2]" 2
569 1 8 VAL QG 1 50 LYS QB 3.095 . 4.292 2.574 1.718 3.673 0.180 19 0 "[ . 1 . 2]" 2
570 1 37 GLU HB3 1 50 LYS QB 2.843 . 3.853 2.281 1.877 2.558 . 0 0 "[ . 1 . 2]" 2
571 1 49 VAL HA 1 50 LYS QB 3.721 . 5.452 4.321 3.940 4.444 . 0 0 "[ . 1 . 2]" 2
572 1 50 LYS QB 1 50 LYS HD2 2.378 . 3.085 2.313 2.184 2.526 . 0 0 "[ . 1 . 2]" 2
573 1 50 LYS QB 1 50 LYS QE 3.197 . 4.474 3.376 1.939 3.794 . 0 0 "[ . 1 . 2]" 2
574 1 8 VAL QG 1 50 LYS HD3 3.264 . 4.596 2.505 1.896 3.281 0.036 5 0 "[ . 1 . 2]" 2
575 1 50 LYS HD3 1 50 LYS HG2 2.473 . 3.237 2.374 2.298 2.559 . 0 0 "[ . 1 . 2]" 2
576 1 8 VAL QG 1 50 LYS HD2 3.230 . 4.534 3.163 2.348 3.522 . 0 0 "[ . 1 . 2]" 2
577 1 50 LYS HD2 1 50 LYS HG2 2.474 . 3.239 2.958 2.500 3.013 . 0 0 "[ . 1 . 2]" 2
578 1 37 GLU QG 1 50 LYS QE 3.711 . 5.433 3.394 2.431 4.370 . 0 0 "[ . 1 . 2]" 2
579 1 39 LEU MD1 1 50 LYS QE 2.977 . 4.085 2.897 1.903 3.769 . 0 0 "[ . 1 . 2]" 2
580 1 50 LYS HA 1 50 LYS QE 3.718 . 5.446 4.572 3.638 5.050 . 0 0 "[ . 1 . 2]" 2
581 1 50 LYS HD2 1 50 LYS QE 2.387 . 3.099 2.313 2.161 2.437 . 0 0 "[ . 1 . 2]" 2
582 1 50 LYS QE 1 50 LYS HG3 2.990 . 4.107 2.357 2.161 2.971 . 0 0 "[ . 1 . 2]" 2
583 1 50 LYS QE 1 50 LYS HG2 3.018 . 4.157 2.688 2.272 3.503 . 0 0 "[ . 1 . 2]" 2
584 1 36 LYS HG2 1 51 ILE HA 2.966 . 4.065 3.352 2.760 3.917 . 0 0 "[ . 1 . 2]" 2
585 1 51 ILE HA 1 51 ILE HB 2.594 . 3.435 2.408 2.336 2.460 . 0 0 "[ . 1 . 2]" 2
586 1 51 ILE HA 1 51 ILE MD 2.931 . 6.000 4.141 3.982 4.179 . 0 0 "[ . 1 . 2]" 2
587 1 9 SER QB 1 51 ILE MD 2.905 . 3.960 2.399 2.121 2.670 . 0 0 "[ . 1 . 2]" 2
588 1 51 ILE HB 1 51 ILE MD 2.338 . 3.022 2.359 2.230 2.426 . 0 0 "[ . 1 . 2]" 2
589 1 51 ILE MD 1 51 ILE HG13 2.166 . 2.752 2.119 2.116 2.122 . 0 0 "[ . 1 . 2]" 2
590 1 51 ILE MD 1 51 ILE HG12 2.008 . 6.000 2.116 2.112 2.118 . 0 0 "[ . 1 . 2]" 2
591 1 51 ILE MD 1 53 SER HA 2.791 . 3.765 2.858 2.101 3.393 . 0 0 "[ . 1 . 2]" 2
592 1 51 ILE MD 1 57 ASN HA 2.582 . 3.415 2.801 2.447 3.072 . 0 0 "[ . 1 . 2]" 2
593 1 51 ILE MD 1 58 ARG HB2 3.438 . 4.916 2.922 2.500 3.495 . 0 0 "[ . 1 . 2]" 2
594 1 51 ILE HA 1 51 ILE HG13 3.499 . 5.030 3.609 3.528 3.667 . 0 0 "[ . 1 . 2]" 2
595 1 51 ILE HB 1 51 ILE HG13 2.714 . 3.635 2.563 2.490 2.776 . 0 0 "[ . 1 . 2]" 2
596 1 51 ILE HG13 1 53 SER HA 3.856 . 5.715 3.569 2.881 4.106 . 0 0 "[ . 1 . 2]" 2
597 1 51 ILE HA 1 51 ILE HG12 3.589 . 5.200 3.830 3.741 4.055 . 0 0 "[ . 1 . 2]" 2
598 1 51 ILE HB 1 51 ILE HG12 2.852 . 3.869 3.004 2.918 3.024 . 0 0 "[ . 1 . 2]" 2
599 1 35 VAL HA 1 51 ILE MG 2.542 . 6.000 3.298 2.625 4.040 . 0 0 "[ . 1 . 2]" 2
600 1 49 VAL HB 1 51 ILE MG 2.904 . 6.000 3.523 3.264 3.649 . 0 0 "[ . 1 . 2]" 2
601 1 51 ILE HA 1 51 ILE MG 2.390 . 3.104 2.354 2.159 2.598 . 0 0 "[ . 1 . 2]" 2
602 1 51 ILE HB 1 51 ILE MG 2.214 . 2.827 2.102 2.077 2.119 . 0 0 "[ . 1 . 2]" 2
603 1 51 ILE HG13 1 51 ILE MG 2.541 . 6.000 3.149 3.040 3.187 . 0 0 "[ . 1 . 2]" 2
604 1 51 ILE MG 1 58 ARG HA 3.260 . 4.589 3.149 2.610 3.703 . 0 0 "[ . 1 . 2]" 2
605 1 51 ILE HA 1 52 ASP HB3 3.864 . 5.730 4.704 4.637 4.805 . 0 0 "[ . 1 . 2]" 2
606 1 52 ASP HA 1 52 ASP HB3 2.917 . 3.981 3.027 3.023 3.033 . 0 0 "[ . 1 . 2]" 2
607 1 36 LYS HD2 1 52 ASP HB2 3.304 . 4.669 3.723 3.134 4.515 . 0 0 "[ . 1 . 2]" 2
608 1 36 LYS HG2 1 52 ASP HB2 3.187 . 4.457 2.532 2.254 2.992 . 0 0 "[ . 1 . 2]" 2
609 1 51 ILE HA 1 52 ASP HB2 3.855 . 5.713 4.473 4.344 4.647 . 0 0 "[ . 1 . 2]" 2
610 1 52 ASP HA 1 52 ASP HB2 2.782 . 3.750 2.484 2.424 2.538 . 0 0 "[ . 1 . 2]" 2
611 1 52 ASP HB2 1 55 VAL HB 3.386 . 6.000 5.242 4.968 5.605 . 0 0 "[ . 1 . 2]" 2
612 1 52 ASP HB2 1 55 VAL MG1 2.989 . 4.105 3.324 3.251 3.424 . 0 0 "[ . 1 . 2]" 2
613 1 52 ASP HB2 1 56 THR MG 3.828 . 5.660 4.459 4.179 4.920 . 0 0 "[ . 1 . 2]" 2
614 1 51 ILE MD 1 53 SER HB3 3.412 . 4.867 3.927 2.649 5.368 0.501 12 1 "[ . 1 + . 2]" 2
615 1 53 SER HA 1 53 SER HB3 2.488 . 3.262 2.502 2.351 3.027 . 0 0 "[ . 1 . 2]" 2
616 1 53 SER HA 1 53 SER HB2 2.523 . 3.319 2.794 2.467 3.026 . 0 0 "[ . 1 . 2]" 2
617 1 54 LYS HA 1 54 LYS HB2 2.616 . 3.472 3.021 3.011 3.025 . 0 0 "[ . 1 . 2]" 2
618 1 54 LYS HA 1 54 LYS HB3 2.453 . 3.205 2.482 2.434 2.543 . 0 0 "[ . 1 . 2]" 2
619 1 54 LYS HA 1 54 LYS HD3 2.770 . 3.729 3.585 2.445 3.745 0.016 10 0 "[ . 1 . 2]" 2
620 1 54 LYS HA 1 54 LYS HG2 2.634 . 3.501 3.015 2.799 3.170 . 0 0 "[ . 1 . 2]" 2
621 1 54 LYS HB2 1 54 LYS HD3 2.928 . 6.000 4.168 3.578 4.241 . 0 0 "[ . 1 . 2]" 2
622 1 54 LYS HB2 1 54 LYS HG3 2.807 . 3.792 2.383 2.293 2.428 . 0 0 "[ . 1 . 2]" 2
623 1 54 LYS HB2 1 55 VAL MG1 3.208 . 4.494 4.037 3.827 4.246 . 0 0 "[ . 1 . 2]" 2
624 1 54 LYS HB3 1 54 LYS HD3 2.940 . 4.020 3.579 2.375 3.747 . 0 0 "[ . 1 . 2]" 2
625 1 54 LYS HB3 1 55 VAL MG1 3.232 . 6.000 5.107 4.827 5.358 . 0 0 "[ . 1 . 2]" 2
626 1 54 LYS HD3 1 54 LYS HG2 2.077 . 2.616 2.454 2.289 3.018 0.402 8 0 "[ . 1 . 2]" 2
627 1 54 LYS HB2 1 54 LYS HE3 3.271 . 4.609 4.134 3.597 5.007 0.398 5 0 "[ . 1 . 2]" 2
628 1 54 LYS HB3 1 54 LYS HE3 3.303 . 4.667 2.811 1.987 4.543 . 0 0 "[ . 1 . 2]" 2
629 1 54 LYS HD3 1 54 LYS HE3 2.333 . 3.013 2.795 2.417 3.018 0.005 6 0 "[ . 1 . 2]" 2
630 1 54 LYS HA 1 54 LYS HG3 3.007 . 4.137 3.768 3.699 3.817 . 0 0 "[ . 1 . 2]" 2
631 1 54 LYS HB3 1 54 LYS HG3 2.811 . 3.798 2.474 2.430 2.583 . 0 0 "[ . 1 . 2]" 2
632 1 54 LYS HD3 1 54 LYS HG3 2.102 . 2.654 2.500 2.437 2.665 0.011 15 0 "[ . 1 . 2]" 2
633 1 54 LYS HB2 1 54 LYS HG2 2.793 . 3.768 2.481 2.438 2.590 . 0 0 "[ . 1 . 2]" 2
634 1 54 LYS HB3 1 54 LYS HG2 2.765 . 3.721 3.008 2.984 3.014 . 0 0 "[ . 1 . 2]" 2
635 1 54 LYS HE3 1 54 LYS HG2 3.366 . 4.782 3.703 2.460 4.243 . 0 0 "[ . 1 . 2]" 2
636 1 55 VAL HA 1 55 VAL HB 2.566 . 3.389 2.495 2.444 2.545 . 0 0 "[ . 1 . 2]" 2
637 1 55 VAL HA 1 55 VAL MG1 2.216 . 6.000 3.211 3.202 3.215 . 0 0 "[ . 1 . 2]" 2
638 1 52 ASP HB3 1 55 VAL HB 3.024 . 4.167 3.939 3.651 4.167 0.000 1 0 "[ . 1 . 2]" 2
639 1 55 VAL HB 1 55 VAL MG1 2.266 . 2.908 2.116 2.109 2.122 . 0 0 "[ . 1 . 2]" 2
640 1 52 ASP HB3 1 55 VAL MG1 2.699 . 3.609 1.859 1.787 1.938 0.002 6 0 "[ . 1 . 2]" 2
641 1 55 VAL HA 1 55 VAL MG2 2.348 . 3.037 2.315 2.276 2.371 . 0 0 "[ . 1 . 2]" 2
642 1 55 VAL HB 1 55 VAL MG2 2.154 . 2.734 2.125 2.109 2.128 . 0 0 "[ . 1 . 2]" 2
643 1 56 THR HA 1 56 THR HB 2.546 . 3.356 2.503 2.451 2.567 . 0 0 "[ . 1 . 2]" 2
644 1 56 THR HA 1 56 THR MG 2.842 . 3.852 3.213 3.199 3.221 . 0 0 "[ . 1 . 2]" 2
645 1 55 VAL MG1 1 56 THR HB 2.927 . 6.000 2.374 2.227 2.672 . 0 0 "[ . 1 . 2]" 2
646 1 34 GLY HA3 1 56 THR MG 2.561 . 3.381 1.993 1.849 2.273 . 0 0 "[ . 1 . 2]" 2
647 1 51 ILE HB 1 56 THR MG 2.477 . 3.244 2.326 1.959 2.671 . 0 0 "[ . 1 . 2]" 2
648 1 51 ILE MD 1 56 THR MG 2.397 . 3.115 2.347 1.930 2.934 . 0 0 "[ . 1 . 2]" 2
649 1 52 ASP HB3 1 56 THR MG 3.558 . 5.140 3.205 2.889 3.612 . 0 0 "[ . 1 . 2]" 2
650 1 56 THR HB 1 56 THR MG 2.315 . 2.985 2.130 2.123 2.136 . 0 0 "[ . 1 . 2]" 2
651 1 51 ILE MD 1 57 ASN QB 3.845 . 5.693 4.244 3.867 4.582 . 0 0 "[ . 1 . 2]" 2
652 1 57 ASN HA 1 57 ASN QB 2.655 . 3.518 2.345 2.166 2.427 . 0 0 "[ . 1 . 2]" 2
653 1 57 ASN QB 1 60 GLU HB2 3.880 . 5.762 3.413 2.438 5.602 . 0 0 "[ . 1 . 2]" 2
654 1 57 ASN QB 1 60 GLU QG 3.847 . 5.697 2.711 2.031 4.180 . 0 0 "[ . 1 . 2]" 2
655 1 11 LEU MD1 1 58 ARG HA 2.407 . 3.131 2.133 1.878 2.633 . 0 0 "[ . 1 . 2]" 2
656 1 51 ILE MD 1 58 ARG HA 2.765 . 3.721 2.201 1.904 2.778 . 0 0 "[ . 1 . 2]" 2
657 1 58 ARG HA 1 58 ARG HB2 2.480 . 3.249 2.351 2.296 2.389 . 0 0 "[ . 1 . 2]" 2
658 1 58 ARG HA 1 58 ARG HB3 2.602 . 3.448 3.003 2.982 3.016 . 0 0 "[ . 1 . 2]" 2
659 1 58 ARG HA 1 58 ARG HG3 2.931 . 4.005 2.715 2.581 2.875 . 0 0 "[ . 1 . 2]" 2
660 1 58 ARG HA 1 58 ARG HG2 2.785 . 3.754 3.342 3.162 3.550 . 0 0 "[ . 1 . 2]" 2
661 1 58 ARG HA 1 61 VAL HB 2.636 . 6.000 4.793 4.552 5.121 . 0 0 "[ . 1 . 2]" 2
662 1 58 ARG HA 1 61 VAL MG1 2.916 . 3.979 2.356 2.171 2.553 . 0 0 "[ . 1 . 2]" 2
663 1 11 LEU MD1 1 58 ARG HB2 2.942 . 4.024 3.344 3.172 3.635 . 0 0 "[ . 1 . 2]" 2
664 1 57 ASN HA 1 58 ARG HB2 3.790 . 5.585 4.811 4.710 4.967 . 0 0 "[ . 1 . 2]" 2
665 1 58 ARG HB2 1 58 ARG HD2 2.948 . 4.034 3.592 3.037 3.775 . 0 0 "[ . 1 . 2]" 2
666 1 58 ARG HB2 1 58 ARG HG3 2.790 . 3.763 2.468 2.377 2.542 . 0 0 "[ . 1 . 2]" 2
667 1 58 ARG HB2 1 58 ARG HG2 2.812 . 3.800 3.010 3.005 3.017 . 0 0 "[ . 1 . 2]" 2
668 1 11 LEU MD1 1 58 ARG HB3 3.021 . 6.000 4.189 3.980 4.590 . 0 0 "[ . 1 . 2]" 2
669 1 57 ASN HA 1 58 ARG HB3 3.789 . 5.583 4.731 4.550 4.921 . 0 0 "[ . 1 . 2]" 2
670 1 58 ARG HB3 1 58 ARG HD2 2.904 . 3.958 3.557 2.431 3.828 . 0 0 "[ . 1 . 2]" 2
671 1 58 ARG HB3 1 58 ARG HG3 2.649 . 3.526 3.010 3.004 3.014 . 0 0 "[ . 1 . 2]" 2
672 1 58 ARG HB3 1 58 ARG HG2 2.758 . 3.709 2.427 2.364 2.517 . 0 0 "[ . 1 . 2]" 2
673 1 11 LEU MD2 1 58 ARG HD2 2.913 . 3.974 3.062 2.547 3.811 . 0 0 "[ . 1 . 2]" 2
674 1 58 ARG HA 1 58 ARG HD2 3.429 . 6.000 4.899 4.737 5.057 . 0 0 "[ . 1 . 2]" 2
675 1 58 ARG HD2 1 58 ARG HG3 2.399 . 3.118 2.504 2.351 3.012 . 0 0 "[ . 1 . 2]" 2
676 1 58 ARG HD2 1 58 ARG HG2 2.557 . 3.374 2.453 2.394 2.527 . 0 0 "[ . 1 . 2]" 2
677 1 58 ARG HG3 1 62 GLU QG 3.559 . 4.862 3.745 3.006 4.057 . 0 0 "[ . 1 . 2]" 2
678 1 59 PHE HA 1 59 PHE HB3 2.251 . 2.884 3.008 2.994 3.018 0.134 17 0 "[ . 1 . 2]" 2
679 1 59 PHE HA 1 59 PHE HD1 2.723 . 3.650 3.226 3.043 3.409 . 0 0 "[ . 1 . 2]" 2
680 1 59 PHE HA 1 62 GLU HB3 2.640 . 3.511 2.587 2.293 2.940 . 0 0 "[ . 1 . 2]" 2
681 1 59 PHE HA 1 62 GLU QG 3.219 . 4.514 3.650 3.533 4.200 . 0 0 "[ . 1 . 2]" 2
682 1 59 PHE HB3 1 59 PHE HD1 2.647 . 6.000 2.725 2.590 2.841 . 0 0 "[ . 1 . 2]" 2
683 1 59 PHE HA 1 60 GLU HA 3.807 . 5.618 4.777 4.714 4.820 . 0 0 "[ . 1 . 2]" 2
684 1 60 GLU HA 1 60 GLU HB2 2.366 . 3.066 2.934 2.413 3.028 . 0 0 "[ . 1 . 2]" 2
685 1 60 GLU HA 1 60 GLU HB3 2.405 . 3.128 2.470 2.412 2.564 . 0 0 "[ . 1 . 2]" 2
686 1 60 GLU HA 1 60 GLU QG 2.666 . 3.555 2.758 2.354 3.323 . 0 0 "[ . 1 . 2]" 2
687 1 57 ASN QB 1 60 GLU HB3 3.864 . 5.730 4.437 3.901 5.499 . 0 0 "[ . 1 . 2]" 2
688 1 60 GLU HB2 1 60 GLU QG 2.383 . 3.093 2.278 2.161 2.384 . 0 0 "[ . 1 . 2]" 2
689 1 51 ILE MD 1 61 VAL HB 2.929 . 6.000 4.151 3.681 4.612 . 0 0 "[ . 1 . 2]" 2
690 1 61 VAL HA 1 61 VAL HB 2.567 . 3.390 2.475 2.462 2.505 . 0 0 "[ . 1 . 2]" 2
691 1 61 VAL HA 1 61 VAL MG1 2.120 . 6.000 3.213 3.205 3.222 . 0 0 "[ . 1 . 2]" 2
692 1 61 VAL HB 1 61 VAL MG1 2.177 . 2.770 2.111 2.097 2.119 . 0 0 "[ . 1 . 2]" 2
693 1 61 VAL HA 1 61 VAL MG2 2.251 . 2.885 2.355 2.319 2.377 . 0 0 "[ . 1 . 2]" 2
694 1 61 VAL HB 1 61 VAL MG2 2.202 . 6.000 2.116 2.112 2.118 . 0 0 "[ . 1 . 2]" 2
695 1 59 PHE HA 1 62 GLU HA 3.746 . 5.500 5.215 5.014 5.369 . 0 0 "[ . 1 . 2]" 2
696 1 62 GLU HA 1 62 GLU HB3 2.294 . 2.952 3.010 2.985 3.025 0.073 8 0 "[ . 1 . 2]" 2
697 1 62 GLU HA 1 62 GLU QG 2.770 . 3.709 2.437 2.350 2.497 . 0 0 "[ . 1 . 2]" 2
698 1 62 GLU HA 1 65 ILE HB 2.259 . 2.897 2.286 2.174 2.447 . 0 0 "[ . 1 . 2]" 2
699 1 62 GLU HA 1 65 ILE MD 2.496 . 3.275 2.512 2.435 2.594 . 0 0 "[ . 1 . 2]" 2
700 1 62 GLU HA 1 65 ILE HG12 3.249 . 4.569 4.426 4.350 4.487 . 0 0 "[ . 1 . 2]" 2
701 1 62 GLU HA 1 65 ILE MG 2.682 . 6.000 3.494 3.295 3.653 . 0 0 "[ . 1 . 2]" 2
702 1 11 LEU MD1 1 62 GLU HB3 3.169 . 4.425 4.027 3.479 4.163 . 0 0 "[ . 1 . 2]" 2
703 1 11 LEU MD2 1 62 GLU HB2 3.314 . 6.000 4.424 4.011 4.658 . 0 0 "[ . 1 . 2]" 2
704 1 13 ILE MD 1 62 GLU HB2 3.500 . 5.032 4.142 3.796 4.466 . 0 0 "[ . 1 . 2]" 2
705 1 62 GLU HA 1 62 GLU HB2 2.671 . 3.563 2.584 2.444 2.679 . 0 0 "[ . 1 . 2]" 2
706 1 11 LEU MD1 1 62 GLU QG 2.967 . 4.067 2.960 2.285 3.448 . 0 0 "[ . 1 . 2]" 2
707 1 58 ARG HD2 1 62 GLU QG 3.836 . 5.538 4.479 3.884 5.517 . 0 0 "[ . 1 . 2]" 2
708 1 58 ARG HG2 1 62 GLU QG 3.486 . 5.005 3.733 3.456 4.130 . 0 0 "[ . 1 . 2]" 2
709 1 62 GLU HB2 1 62 GLU QG 2.492 . 2.919 2.147 2.112 2.296 . 0 0 "[ . 1 . 2]" 2
710 1 63 GLN HA 1 63 GLN HB3 2.204 . 6.000 3.022 3.005 3.026 . 0 0 "[ . 1 . 2]" 2
711 1 63 GLN HA 1 63 GLN QG 2.519 . 3.312 2.485 2.385 2.926 . 0 0 "[ . 1 . 2]" 2
712 1 63 GLN HA 1 66 ARG QD 3.442 . 4.923 3.243 2.321 4.182 . 0 0 "[ . 1 . 2]" 2
713 1 63 GLN HA 1 66 ARG HG3 3.575 . 5.173 2.616 2.017 4.752 . 0 0 "[ . 1 . 2]" 2
714 1 63 GLN HB3 1 63 GLN QG 1.942 . 2.414 2.321 2.147 2.369 . 0 0 "[ . 1 . 2]" 2
715 1 64 ALA HA 1 67 GLN HB2 2.545 . 3.355 2.683 2.537 2.880 . 0 0 "[ . 1 . 2]" 2
716 1 64 ALA HA 1 67 GLN QG 3.354 . 4.760 3.392 3.036 3.550 . 0 0 "[ . 1 . 2]" 2
717 1 61 VAL HA 1 64 ALA MB 2.363 . 3.061 2.607 2.399 2.746 . 0 0 "[ . 1 . 2]" 2
718 1 61 VAL MG2 1 64 ALA MB 2.737 . 3.673 3.078 2.940 3.210 . 0 0 "[ . 1 . 2]" 2
719 1 64 ALA HA 1 64 ALA MB 2.035 . 6.000 2.128 2.124 2.132 . 0 0 "[ . 1 . 2]" 2
720 1 64 ALA MB 1 65 ILE HA 3.169 . 4.424 3.875 3.826 3.955 . 0 0 "[ . 1 . 2]" 2
721 1 29 LEU HB3 1 65 ILE HA 3.304 . 4.669 4.423 4.217 4.675 0.006 18 0 "[ . 1 . 2]" 2
722 1 29 LEU MD2 1 65 ILE HA 2.478 . 3.246 2.370 2.116 2.729 . 0 0 "[ . 1 . 2]" 2
723 1 65 ILE HA 1 65 ILE HB 2.618 . 3.475 2.965 2.953 2.977 . 0 0 "[ . 1 . 2]" 2
724 1 65 ILE HA 1 65 ILE HG12 2.441 . 3.186 3.218 3.192 3.249 0.063 16 0 "[ . 1 . 2]" 2
725 1 65 ILE HA 1 65 ILE HG13 2.568 . 3.392 2.019 2.003 2.045 . 0 0 "[ . 1 . 2]" 2
726 1 65 ILE HA 1 65 ILE MG 2.261 . 6.000 2.723 2.686 2.756 . 0 0 "[ . 1 . 2]" 2
727 1 65 ILE HA 1 68 ALA MB 2.525 . 3.322 2.705 2.553 2.925 . 0 0 "[ . 1 . 2]" 2
728 1 65 ILE HB 1 65 ILE MD 2.513 . 3.303 2.207 2.198 2.213 . 0 0 "[ . 1 . 2]" 2
729 1 65 ILE HB 1 65 ILE HG12 2.869 . 3.898 2.800 2.778 2.816 . 0 0 "[ . 1 . 2]" 2
730 1 65 ILE HB 1 65 ILE MG 2.380 . 3.088 2.124 2.119 2.127 . 0 0 "[ . 1 . 2]" 2
731 1 65 ILE HB 1 66 ARG HA 3.771 . 5.549 4.773 4.684 4.839 . 0 0 "[ . 1 . 2]" 2
732 1 13 ILE HG13 1 65 ILE MD 2.691 . 6.000 4.157 3.911 4.323 . 0 0 "[ . 1 . 2]" 2
733 1 65 ILE HA 1 65 ILE MD 2.680 . 3.578 3.304 3.260 3.356 . 0 0 "[ . 1 . 2]" 2
734 1 65 ILE MD 1 65 ILE HG12 1.894 . 6.000 2.113 2.112 2.115 . 0 0 "[ . 1 . 2]" 2
735 1 65 ILE MD 1 65 ILE HG13 2.096 . 2.645 2.108 2.105 2.111 . 0 0 "[ . 1 . 2]" 2
736 1 29 LEU MD1 1 65 ILE HG12 3.274 . 4.614 2.495 2.205 2.936 . 0 0 "[ . 1 . 2]" 2
737 1 62 GLU HA 1 65 ILE HG13 3.307 . 4.674 4.739 4.699 4.805 0.131 13 0 "[ . 1 . 2]" 2
738 1 65 ILE HG13 1 65 ILE MG 2.423 . 6.000 2.876 2.846 2.911 . 0 0 "[ . 1 . 2]" 2
739 1 66 ARG HA 1 66 ARG HB2 2.319 . 2.991 2.515 2.396 2.569 . 0 0 "[ . 1 . 2]" 2
740 1 66 ARG HA 1 66 ARG HG3 2.700 . 3.611 3.556 3.253 3.655 0.044 5 0 "[ . 1 . 2]" 2
741 1 66 ARG HA 1 69 LEU HB3 3.214 . 4.505 4.363 4.226 4.571 0.066 15 0 "[ . 1 . 2]" 2
742 1 66 ARG HA 1 69 LEU QD 2.646 . 3.521 2.283 2.032 2.540 . 0 0 "[ . 1 . 2]" 2
743 1 63 GLN QG 1 66 ARG QD 3.106 . 4.312 3.232 2.183 4.106 . 0 0 "[ . 1 . 2]" 2
744 1 66 ARG HB2 1 66 ARG QD 2.414 . 3.143 2.451 2.040 3.397 0.254 13 0 "[ . 1 . 2]" 2
745 1 66 ARG QD 1 67 GLN HA 2.501 . 3.283 3.060 2.634 3.306 0.023 6 0 "[ . 1 . 2]" 2
746 1 66 ARG HA 1 66 ARG HG2 3.030 . 4.177 3.905 2.523 4.203 0.026 5 0 "[ . 1 . 2]" 2
747 1 67 GLN HA 1 67 GLN HB2 2.239 . 6.000 3.009 3.002 3.013 . 0 0 "[ . 1 . 2]" 2
748 1 67 GLN HA 1 67 GLN QG 2.645 . 3.520 2.360 2.307 2.404 . 0 0 "[ . 1 . 2]" 2
749 1 67 GLN HB2 1 68 ALA MB 3.419 . 4.880 4.159 4.100 4.243 . 0 0 "[ . 1 . 2]" 2
750 1 66 ARG HB2 1 67 GLN QG 3.531 . 5.089 4.445 4.249 5.099 0.010 6 0 "[ . 1 . 2]" 2
751 1 67 GLN HB2 1 67 GLN QG 2.100 . 2.651 2.358 2.324 2.417 . 0 0 "[ . 1 . 2]" 2
752 1 67 GLN QG 1 70 GLU HB2 3.233 . 4.540 3.909 3.465 4.733 0.193 14 0 "[ . 1 . 2]" 2
753 1 29 LEU MD2 1 68 ALA MB 2.545 . 3.355 2.110 1.928 2.343 . 0 0 "[ . 1 . 2]" 2
754 1 68 ALA HA 1 68 ALA MB 2.079 . 6.000 2.125 2.121 2.129 . 0 0 "[ . 1 . 2]" 2
755 1 69 LEU HA 1 69 LEU HB2 2.532 . 3.334 3.016 3.004 3.022 . 0 0 "[ . 1 . 2]" 2
756 1 69 LEU HA 1 69 LEU HB3 2.527 . 3.325 2.501 2.447 2.580 . 0 0 "[ . 1 . 2]" 2
757 1 69 LEU HB3 1 69 LEU QD 2.511 . 3.299 2.171 2.060 2.538 . 0 0 "[ . 1 . 2]" 2
758 1 15 ILE HA 1 69 LEU QD 3.375 . 4.799 2.888 2.473 3.885 . 0 0 "[ . 1 . 2]" 2
759 1 16 PRO HD2 1 69 LEU QD 3.307 . 4.674 2.491 2.083 3.194 . 0 0 "[ . 1 . 2]" 2
760 1 69 LEU HA 1 69 LEU QD . . 2.745 2.060 1.873 2.209 0.059 6 0 "[ . 1 . 2]" 2
761 1 69 LEU HB2 1 69 LEU QD 2.379 . 3.086 2.173 2.096 2.229 . 0 0 "[ . 1 . 2]" 2
762 1 69 LEU QD 1 69 LEU HG 2.141 . 2.714 1.886 1.876 1.893 . 0 0 "[ . 1 . 2]" 2
763 1 69 LEU HA 1 69 LEU HG 3.339 . 4.732 3.037 2.806 3.572 . 0 0 "[ . 1 . 2]" 2
764 1 69 LEU HB3 1 69 LEU HG 2.746 . 3.689 2.897 2.244 3.016 . 0 0 "[ . 1 . 2]" 2
765 1 70 GLU HA 1 70 GLU HB2 2.214 . 6.000 2.898 2.459 3.037 . 0 0 "[ . 1 . 2]" 2
766 1 70 GLU HA 1 70 GLU HG3 2.639 . 3.510 3.584 2.936 3.807 0.297 7 0 "[ . 1 . 2]" 2
767 1 70 GLU HA 1 70 GLU HG2 2.998 . 4.121 3.091 2.336 3.782 . 0 0 "[ . 1 . 2]" 2
768 1 70 GLU HB2 1 70 GLU HG3 1.967 . 2.450 2.510 2.329 2.997 0.547 1 4 "[+ . -* *. 2]" 2
769 1 70 GLU HB2 1 70 GLU HG2 1.988 . 2.482 2.458 2.398 2.516 0.034 5 0 "[ . 1 . 2]" 2
770 1 6 PRO HA 1 7 TYR H 2.643 . 3.516 3.050 2.509 3.317 . 0 0 "[ . 1 . 2]" 2
771 1 6 PRO HB3 1 7 TYR H 3.764 . 5.535 4.524 2.687 4.678 . 0 0 "[ . 1 . 2]" 2
772 1 6 PRO HB2 1 7 TYR H 3.727 . 5.464 3.919 2.741 4.329 . 0 0 "[ . 1 . 2]" 2
773 1 6 PRO HD3 1 7 TYR H 4.210 . 6.425 4.196 3.729 5.705 . 0 0 "[ . 1 . 2]" 2
774 1 6 PRO HD2 1 7 TYR H 3.871 . 5.745 3.431 2.763 5.093 . 0 0 "[ . 1 . 2]" 2
775 1 6 PRO QG 1 7 TYR H 3.660 . 5.335 4.385 3.960 4.666 . 0 0 "[ . 1 . 2]" 2
776 1 7 TYR H 1 7 TYR HA 2.930 . 4.003 2.901 2.259 2.944 . 0 0 "[ . 1 . 2]" 2
777 1 7 TYR H 1 7 TYR HB3 2.860 . 3.882 3.771 3.639 4.100 0.218 2 0 "[ . 1 . 2]" 2
778 1 7 TYR H 1 7 TYR HD2 3.441 . 4.921 3.353 2.670 5.329 0.408 1 0 "[ . 1 . 2]" 2
779 1 7 TYR HB3 1 8 VAL H 3.343 . 4.740 4.338 4.202 4.433 . 0 0 "[ . 1 . 2]" 2
780 1 7 TYR HD2 1 8 VAL H 3.929 . 5.859 5.058 4.654 6.102 0.243 1 0 "[ . 1 . 2]" 2
781 1 8 VAL H 1 8 VAL HA 2.420 . 3.152 2.853 2.771 2.890 . 0 0 "[ . 1 . 2]" 2
782 1 8 VAL H 1 8 VAL HB 2.641 . 3.513 3.530 2.094 3.650 0.137 20 0 "[ . 1 . 2]" 2
783 1 8 VAL H 1 8 VAL QG 2.699 . 3.610 1.876 1.749 2.757 0.039 13 0 "[ . 1 . 2]" 2
784 1 8 VAL HA 1 9 SER H 2.692 . 3.598 2.166 2.097 2.326 . 0 0 "[ . 1 . 2]" 2
785 1 8 VAL HB 1 9 SER H 3.554 . 5.133 3.148 2.483 4.310 . 0 0 "[ . 1 . 2]" 2
786 1 8 VAL QG 1 9 SER H 3.230 . 4.534 3.383 2.419 3.668 . 0 0 "[ . 1 . 2]" 2
787 1 8 VAL H 1 9 SER H 3.712 . 5.435 4.514 4.237 4.583 . 0 0 "[ . 1 . 2]" 2
788 1 9 SER H 1 9 SER QB 3.291 . 4.645 2.645 2.500 2.794 . 0 0 "[ . 1 . 2]" 2
789 1 9 SER H 1 51 ILE HG13 3.923 . 5.847 2.706 2.066 3.156 . 0 0 "[ . 1 . 2]" 2
790 1 9 SER HA 1 10 SER H 2.906 . 3.962 2.169 2.143 2.248 . 0 0 "[ . 1 . 2]" 2
791 1 9 SER QB 1 10 SER H 3.498 . 5.027 3.488 2.904 3.903 . 0 0 "[ . 1 . 2]" 2
792 1 10 SER H 1 10 SER QB 3.161 . 4.410 2.576 2.302 2.843 . 0 0 "[ . 1 . 2]" 2
793 1 10 SER HA 1 11 LEU H 2.400 . 3.120 2.145 2.116 2.193 . 0 0 "[ . 1 . 2]" 2
794 1 10 SER QB 1 11 LEU H 3.079 . 4.264 3.543 3.413 3.878 . 0 0 "[ . 1 . 2]" 2
795 1 10 SER H 1 11 LEU H 4.218 . 6.442 4.308 4.196 4.396 . 0 0 "[ . 1 . 2]" 2
796 1 11 LEU H 1 11 LEU HB2 2.801 . 3.781 2.711 2.668 2.775 . 0 0 "[ . 1 . 2]" 2
797 1 11 LEU H 1 11 LEU HB3 3.402 . 4.848 3.645 3.614 3.690 . 0 0 "[ . 1 . 2]" 2
798 1 11 LEU H 1 11 LEU MD2 3.177 . 4.439 2.705 2.586 2.802 . 0 0 "[ . 1 . 2]" 2
799 1 11 LEU H 1 12 ARG H 3.777 . 5.560 4.520 4.416 4.602 . 0 0 "[ . 1 . 2]" 2
800 1 11 LEU H 1 49 VAL HB 3.737 . 5.483 3.433 3.227 3.604 . 0 0 "[ . 1 . 2]" 2
801 1 11 LEU H 1 49 VAL H 3.156 . 4.401 2.866 2.633 3.149 . 0 0 "[ . 1 . 2]" 2
802 1 12 ARG HD3 1 12 ARG HH11 3.619 . 5.256 2.618 1.709 3.402 0.273 1 0 "[ . 1 . 2]" 2
803 1 12 ARG HD3 1 12 ARG HH12 3.617 . 5.253 4.044 3.328 4.729 . 0 0 "[ . 1 . 2]" 2
804 1 11 LEU HA 1 12 ARG H 2.485 . 3.257 2.219 2.171 2.372 . 0 0 "[ . 1 . 2]" 2
805 1 11 LEU MD2 1 12 ARG H 3.444 . 4.927 4.046 3.879 4.120 . 0 0 "[ . 1 . 2]" 2
806 1 12 ARG H 1 12 ARG QB 3.034 . 4.097 2.377 2.307 2.550 . 0 0 "[ . 1 . 2]" 2
807 1 12 ARG HA 1 13 ILE H 2.277 . 2.925 2.162 2.116 2.208 . 0 0 "[ . 1 . 2]" 2
808 1 12 ARG QB 1 13 ILE H 3.357 . 4.766 3.943 3.889 3.988 . 0 0 "[ . 1 . 2]" 2
809 1 12 ARG HG3 1 13 ILE H 3.241 . 4.554 3.886 3.412 4.115 . 0 0 "[ . 1 . 2]" 2
810 1 12 ARG H 1 13 ILE H 3.798 . 5.601 4.180 3.951 4.291 . 0 0 "[ . 1 . 2]" 2
811 1 13 ILE H 1 13 ILE HA 2.968 . 4.069 2.916 2.903 2.942 . 0 0 "[ . 1 . 2]" 2
812 1 13 ILE H 1 13 ILE HB 2.642 . 3.515 2.907 2.731 3.023 . 0 0 "[ . 1 . 2]" 2
813 1 13 ILE H 1 13 ILE HG12 3.288 . 6.000 1.922 1.814 1.991 . 0 0 "[ . 1 . 2]" 2
814 1 13 ILE H 1 13 ILE HG13 3.227 . 4.529 3.526 3.445 3.575 . 0 0 "[ . 1 . 2]" 2
815 1 13 ILE H 1 13 ILE MG 3.083 . 4.271 3.773 3.753 3.798 . 0 0 "[ . 1 . 2]" 2
816 1 13 ILE H 1 14 GLU H 3.554 . 5.133 4.482 4.413 4.540 . 0 0 "[ . 1 . 2]" 2
817 1 13 ILE H 1 46 SER QB 3.599 . 5.218 3.685 3.316 4.777 . 0 0 "[ . 1 . 2]" 2
818 1 13 ILE H 1 47 ALA MB 2.961 . 6.000 3.159 2.958 3.906 . 0 0 "[ . 1 . 2]" 2
819 1 13 ILE H 1 47 ALA H 2.902 . 3.955 2.712 2.585 2.962 . 0 0 "[ . 1 . 2]" 2
820 1 13 ILE H 1 48 TYR HA 3.116 . 4.329 3.512 3.017 3.802 . 0 0 "[ . 1 . 2]" 2
821 1 12 ARG HG2 1 14 GLU H 3.638 . 5.293 4.864 4.522 5.293 0.000 1 0 "[ . 1 . 2]" 2
822 1 13 ILE HB 1 14 GLU H 3.294 . 4.650 3.815 3.566 4.000 . 0 0 "[ . 1 . 2]" 2
823 1 13 ILE HG12 1 14 GLU H 3.816 . 5.637 5.250 5.167 5.299 . 0 0 "[ . 1 . 2]" 2
824 1 13 ILE HG13 1 14 GLU H 3.873 . 5.748 5.566 5.454 5.649 . 0 0 "[ . 1 . 2]" 2
825 1 13 ILE MG 1 14 GLU H 2.627 . 3.490 2.645 2.446 2.837 . 0 0 "[ . 1 . 2]" 2
826 1 14 GLU H 1 14 GLU QB 2.371 . 3.074 2.428 2.193 2.717 . 0 0 "[ . 1 . 2]" 2
827 1 14 GLU H 1 14 GLU HG3 2.931 . 4.005 3.224 2.204 4.529 0.524 15 3 "[ . * - + 2]" 2
828 1 14 GLU H 1 14 GLU HG2 3.531 . 5.089 3.246 1.962 4.253 0.011 9 0 "[ . 1 . 2]" 2
829 1 14 GLU H 1 15 ILE H 3.565 . 5.153 4.379 4.293 4.464 . 0 0 "[ . 1 . 2]" 2
830 1 14 GLU HA 1 15 ILE H 2.236 . 2.861 2.132 2.107 2.161 . 0 0 "[ . 1 . 2]" 2
831 1 14 GLU QB 1 15 ILE H 3.233 . 4.540 3.495 3.298 3.928 . 0 0 "[ . 1 . 2]" 2
832 1 14 GLU HG3 1 15 ILE H 3.795 . 5.596 4.660 3.535 5.542 . 0 0 "[ . 1 . 2]" 2
833 1 14 GLU HG2 1 15 ILE H 3.852 . 5.706 4.766 3.558 5.511 . 0 0 "[ . 1 . 2]" 2
834 1 15 ILE H 1 15 ILE HB 2.473 . 3.237 2.472 2.414 2.525 . 0 0 "[ . 1 . 2]" 2
835 1 15 ILE H 1 15 ILE MD 3.295 . 4.653 3.551 3.391 3.657 . 0 0 "[ . 1 . 2]" 2
836 1 15 ILE H 1 15 ILE HG12 2.967 . 4.068 3.493 3.362 3.681 . 0 0 "[ . 1 . 2]" 2
837 1 15 ILE H 1 15 ILE MG 2.973 . 6.000 3.755 3.737 3.765 . 0 0 "[ . 1 . 2]" 2
838 1 15 ILE H 1 46 SER HA 2.645 . 3.520 2.354 2.153 2.596 . 0 0 "[ . 1 . 2]" 2
839 1 15 ILE H 1 46 SER QB 3.583 . 5.188 3.982 3.763 4.212 . 0 0 "[ . 1 . 2]" 2
840 1 15 ILE H 1 46 SER H 3.476 . 4.986 4.732 4.450 4.909 . 0 0 "[ . 1 . 2]" 2
841 1 16 PRO HA 1 17 ALA H 2.164 . 2.749 2.256 2.176 2.323 . 0 0 "[ . 1 . 2]" 2
842 1 16 PRO HB2 1 17 ALA H 3.047 . 4.208 3.425 3.246 3.656 . 0 0 "[ . 1 . 2]" 2
843 1 16 PRO HB3 1 17 ALA H 3.277 . 4.620 3.238 3.020 3.538 . 0 0 "[ . 1 . 2]" 2
844 1 16 PRO HG3 1 17 ALA H 3.744 . 5.496 5.097 4.946 5.310 . 0 0 "[ . 1 . 2]" 2
845 1 17 ALA H 1 17 ALA HA 2.705 . 3.619 2.839 2.801 2.869 . 0 0 "[ . 1 . 2]" 2
846 1 17 ALA H 1 17 ALA MB 2.265 . 2.906 2.237 2.203 2.263 . 0 0 "[ . 1 . 2]" 2
847 1 16 PRO HB2 1 18 ASP H 3.174 . 4.433 2.909 2.596 3.158 . 0 0 "[ . 1 . 2]" 2
848 1 16 PRO HB3 1 18 ASP H 3.022 . 4.163 3.561 3.359 3.760 . 0 0 "[ . 1 . 2]" 2
849 1 16 PRO HG3 1 18 ASP H 3.912 . 5.825 5.602 5.338 5.836 0.011 17 0 "[ . 1 . 2]" 2
850 1 17 ALA HA 1 18 ASP H 2.891 . 3.936 3.472 3.416 3.519 . 0 0 "[ . 1 . 2]" 2
851 1 17 ALA MB 1 18 ASP H 2.652 . 3.531 2.781 2.485 2.948 . 0 0 "[ . 1 . 2]" 2
852 1 17 ALA H 1 18 ASP H 2.855 . 3.874 2.546 2.417 2.719 . 0 0 "[ . 1 . 2]" 2
853 1 18 ASP H 1 18 ASP HA 2.585 . 3.420 2.890 2.870 2.918 . 0 0 "[ . 1 . 2]" 2
854 1 18 ASP H 1 18 ASP HB3 2.848 . 3.862 2.636 2.376 3.627 . 0 0 "[ . 1 . 2]" 2
855 1 18 ASP H 1 18 ASP HB2 2.723 . 3.650 2.676 2.457 2.887 . 0 0 "[ . 1 . 2]" 2
856 1 18 ASP H 1 19 ILE HB 3.647 . 5.309 4.363 4.194 4.485 . 0 0 "[ . 1 . 2]" 2
857 1 18 ASP H 1 19 ILE H 2.555 . 3.371 2.351 2.191 2.467 . 0 0 "[ . 1 . 2]" 2
858 1 16 PRO HB2 1 19 ILE H 3.933 . 5.866 1.995 1.885 2.234 0.115 14 0 "[ . 1 . 2]" 2
859 1 16 PRO HB3 1 19 ILE H 3.256 . 4.581 3.600 3.484 3.846 . 0 0 "[ . 1 . 2]" 2
860 1 17 ALA HA 1 19 ILE H 3.571 . 5.165 4.383 4.099 4.641 . 0 0 "[ . 1 . 2]" 2
861 1 17 ALA H 1 19 ILE H 3.701 . 5.413 4.018 3.874 4.134 . 0 0 "[ . 1 . 2]" 2
862 1 18 ASP HA 1 19 ILE H 2.885 . 3.926 3.488 3.416 3.521 . 0 0 "[ . 1 . 2]" 2
863 1 18 ASP HB3 1 19 ILE H 3.841 . 5.685 2.926 2.561 4.036 . 0 0 "[ . 1 . 2]" 2
864 1 18 ASP HB2 1 19 ILE H 3.819 . 5.642 3.807 2.715 4.101 . 0 0 "[ . 1 . 2]" 2
865 1 19 ILE H 1 19 ILE HA 2.888 . 3.930 2.863 2.829 2.896 . 0 0 "[ . 1 . 2]" 2
866 1 19 ILE H 1 19 ILE HB 2.459 . 3.215 2.292 2.253 2.325 . 0 0 "[ . 1 . 2]" 2
867 1 19 ILE H 1 19 ILE HG13 2.901 . 3.953 3.992 3.694 4.101 0.148 19 0 "[ . 1 . 2]" 2
868 1 19 ILE H 1 19 ILE HG12 3.171 . 4.428 3.959 3.879 4.006 . 0 0 "[ . 1 . 2]" 2
869 1 19 ILE H 1 19 ILE MG 2.849 . 6.000 3.670 3.640 3.701 . 0 0 "[ . 1 . 2]" 2
870 1 19 ILE H 1 20 ALA H 3.432 . 4.904 4.557 4.507 4.591 . 0 0 "[ . 1 . 2]" 2
871 1 19 ILE HA 1 20 ALA H 2.283 . 2.934 2.191 2.141 2.234 . 0 0 "[ . 1 . 2]" 2
872 1 19 ILE HB 1 20 ALA H 3.513 . 5.056 4.265 4.198 4.349 . 0 0 "[ . 1 . 2]" 2
873 1 19 ILE MG 1 20 ALA H 2.756 . 3.706 2.551 2.414 2.732 . 0 0 "[ . 1 . 2]" 2
874 1 20 ALA H 1 20 ALA MB 2.397 . 6.000 2.237 2.202 2.271 . 0 0 "[ . 1 . 2]" 2
875 1 20 ALA HA 1 21 ALA H 2.347 . 3.036 2.171 2.127 2.247 . 0 0 "[ . 1 . 2]" 2
876 1 20 ALA MB 1 21 ALA H 2.997 . 4.120 2.866 2.682 3.051 . 0 0 "[ . 1 . 2]" 2
877 1 20 ALA H 1 21 ALA H 3.596 . 5.213 4.545 4.510 4.584 . 0 0 "[ . 1 . 2]" 2
878 1 21 ALA H 1 21 ALA MB 2.680 . 3.578 2.216 2.142 2.256 . 0 0 "[ . 1 . 2]" 2
879 1 20 ALA MB 1 22 ASN QD 3.228 . 4.390 2.167 1.754 3.223 0.171 8 0 "[ . 1 . 2]" 2
880 1 22 ASN HA 1 22 ASN QD 3.838 . 5.679 4.078 3.802 4.328 . 0 0 "[ . 1 . 2]" 2
881 1 22 ASN HB2 1 22 ASN QD 3.120 . 4.337 2.979 2.214 3.305 . 0 0 "[ . 1 . 2]" 2
882 1 22 ASN HB3 1 22 ASN QD 2.987 . 4.103 2.314 2.193 2.790 . 0 0 "[ . 1 . 2]" 2
883 1 20 ALA MB 1 22 ASN H 3.258 . 4.585 4.073 3.877 4.217 . 0 0 "[ . 1 . 2]" 2
884 1 21 ALA HA 1 22 ASN H 2.290 . 2.945 2.249 2.199 2.290 . 0 0 "[ . 1 . 2]" 2
885 1 21 ALA MB 1 22 ASN H 3.029 . 4.176 3.566 3.491 3.627 . 0 0 "[ . 1 . 2]" 2
886 1 21 ALA H 1 22 ASN H 3.475 . 4.984 4.141 4.029 4.222 . 0 0 "[ . 1 . 2]" 2
887 1 22 ASN H 1 22 ASN HA 2.883 . 3.922 2.886 2.841 2.926 . 0 0 "[ . 1 . 2]" 2
888 1 22 ASN H 1 22 ASN HB2 3.218 . 4.513 3.924 2.927 4.046 . 0 0 "[ . 1 . 2]" 2
889 1 22 ASN H 1 22 ASN HB3 3.093 . 4.289 3.353 3.086 3.562 . 0 0 "[ . 1 . 2]" 2
890 1 22 ASN H 1 23 GLU H 3.641 . 5.298 4.353 4.312 4.406 . 0 0 "[ . 1 . 2]" 2
891 1 22 ASN H 1 25 LEU HA 3.562 . 5.148 4.933 4.659 5.185 0.037 9 0 "[ . 1 . 2]" 2
892 1 22 ASN H 1 25 LEU HB3 2.756 . 3.706 2.632 2.416 2.845 . 0 0 "[ . 1 . 2]" 2
893 1 22 ASN H 1 25 LEU HB2 2.924 . 3.993 2.788 2.460 3.095 . 0 0 "[ . 1 . 2]" 2
894 1 22 ASN H 1 25 LEU MD1 2.877 . 3.912 3.419 3.208 3.655 . 0 0 "[ . 1 . 2]" 2
895 1 22 ASN H 1 40 ILE MD 3.575 . 5.173 3.836 3.690 4.043 . 0 0 "[ . 1 . 2]" 2
896 1 22 ASN HA 1 23 GLU H 2.716 . 3.638 2.705 2.557 2.803 . 0 0 "[ . 1 . 2]" 2
897 1 22 ASN HB2 1 23 GLU H 2.530 . 3.330 2.127 1.766 3.836 0.506 6 1 "[ .+ 1 . 2]" 2
898 1 22 ASN HB3 1 23 GLU H 2.859 . 3.881 3.521 2.889 3.658 . 0 0 "[ . 1 . 2]" 2
899 1 23 GLU H 1 23 GLU HA 2.864 . 3.889 2.810 2.778 2.842 . 0 0 "[ . 1 . 2]" 2
900 1 23 GLU H 1 23 GLU HG3 3.098 . 6.000 4.413 4.343 4.506 . 0 0 "[ . 1 . 2]" 2
901 1 22 ASN HA 1 24 ALA H 3.630 . 5.277 4.500 4.277 4.600 . 0 0 "[ . 1 . 2]" 2
902 1 22 ASN HB2 1 24 ALA H 3.174 . 4.433 3.417 2.820 4.043 . 0 0 "[ . 1 . 2]" 2
903 1 22 ASN HB3 1 24 ALA H 3.591 . 5.203 4.359 2.313 4.569 . 0 0 "[ . 1 . 2]" 2
904 1 22 ASN QD 1 24 ALA H 3.444 . 4.927 3.562 2.787 4.107 . 0 0 "[ . 1 . 2]" 2
905 1 22 ASN H 1 24 ALA H 3.579 . 5.180 4.415 4.085 4.590 . 0 0 "[ . 1 . 2]" 2
906 1 23 GLU HB3 1 24 ALA H 2.572 . 3.399 2.901 2.823 2.995 . 0 0 "[ . 1 . 2]" 2
907 1 23 GLU HG3 1 24 ALA H 3.294 . 4.650 4.925 4.362 5.025 0.375 17 0 "[ . 1 . 2]" 2
908 1 23 GLU H 1 24 ALA H 2.686 . 3.588 2.704 2.576 2.790 . 0 0 "[ . 1 . 2]" 2
909 1 24 ALA H 1 24 ALA HA 2.432 . 3.171 2.802 2.787 2.815 . 0 0 "[ . 1 . 2]" 2
910 1 24 ALA H 1 24 ALA MB 2.058 . 2.587 2.244 2.233 2.253 . 0 0 "[ . 1 . 2]" 2
911 1 21 ALA HA 1 25 LEU H 3.728 . 5.465 4.976 4.484 5.343 . 0 0 "[ . 1 . 2]" 2
912 1 22 ASN HA 1 25 LEU H 3.756 . 5.519 4.810 4.580 4.953 . 0 0 "[ . 1 . 2]" 2
913 1 22 ASN QD 1 25 LEU H 3.717 . 5.444 3.872 3.353 5.237 . 0 0 "[ . 1 . 2]" 2
914 1 22 ASN H 1 25 LEU H 2.987 . 4.102 3.113 2.739 3.356 . 0 0 "[ . 1 . 2]" 2
915 1 24 ALA MB 1 25 LEU H 2.425 . 6.000 2.505 2.448 2.595 . 0 0 "[ . 1 . 2]" 2
916 1 24 ALA H 1 25 LEU H 2.421 . 3.154 2.714 2.652 2.763 . 0 0 "[ . 1 . 2]" 2
917 1 25 LEU H 1 25 LEU HA 2.504 . 3.288 2.816 2.799 2.831 . 0 0 "[ . 1 . 2]" 2
918 1 25 LEU H 1 25 LEU HB3 2.337 . 3.020 2.512 2.474 2.561 . 0 0 "[ . 1 . 2]" 2
919 1 25 LEU H 1 25 LEU HB2 2.353 . 3.045 2.495 2.438 2.548 . 0 0 "[ . 1 . 2]" 2
920 1 25 LEU H 1 25 LEU MD2 2.804 . 6.000 4.147 4.109 4.220 . 0 0 "[ . 1 . 2]" 2
921 1 25 LEU H 1 26 LYS H 2.301 . 2.963 2.590 2.513 2.654 . 0 0 "[ . 1 . 2]" 2
922 1 23 GLU HA 1 26 LYS H 2.811 . 3.799 3.016 2.895 3.093 . 0 0 "[ . 1 . 2]" 2
923 1 25 LEU HB3 1 26 LYS H 2.696 . 3.605 2.524 2.413 2.625 . 0 0 "[ . 1 . 2]" 2
924 1 25 LEU MD2 1 26 LYS H 3.180 . 4.444 3.190 3.085 3.557 . 0 0 "[ . 1 . 2]" 2
925 1 25 LEU HG 1 26 LYS H 3.232 . 4.538 4.434 4.057 4.550 0.012 1 0 "[ . 1 . 2]" 2
926 1 26 LYS H 1 26 LYS HA 2.761 . 3.714 2.793 2.782 2.816 . 0 0 "[ . 1 . 2]" 2
927 1 26 LYS H 1 26 LYS HB3 2.579 . 3.411 2.423 2.372 2.519 . 0 0 "[ . 1 . 2]" 2
928 1 26 LYS H 1 26 LYS HB2 2.410 . 3.136 2.568 2.465 2.619 . 0 0 "[ . 1 . 2]" 2
929 1 26 LYS H 1 26 LYS HG3 3.266 . 4.599 4.476 4.406 4.513 . 0 0 "[ . 1 . 2]" 2
930 1 26 LYS H 1 27 VAL MG1 3.760 . 5.527 4.259 4.218 4.316 . 0 0 "[ . 1 . 2]" 2
931 1 26 LYS H 1 40 ILE MD 3.321 . 4.700 2.388 2.287 2.487 . 0 0 "[ . 1 . 2]" 2
932 1 24 ALA HA 1 27 VAL H 2.831 . 3.833 3.458 3.348 3.594 . 0 0 "[ . 1 . 2]" 2
933 1 26 LYS HB3 1 27 VAL H 2.567 . 3.390 2.414 2.381 2.468 . 0 0 "[ . 1 . 2]" 2
934 1 26 LYS HB2 1 27 VAL H 2.803 . 3.785 3.814 3.774 3.853 0.068 3 0 "[ . 1 . 2]" 2
935 1 26 LYS HG2 1 27 VAL H 3.144 . 4.379 3.385 3.283 3.667 . 0 0 "[ . 1 . 2]" 2
936 1 26 LYS H 1 27 VAL H 2.762 . 3.715 2.800 2.759 2.842 . 0 0 "[ . 1 . 2]" 2
937 1 27 VAL H 1 27 VAL HA 2.544 . 3.353 2.819 2.809 2.829 . 0 0 "[ . 1 . 2]" 2
938 1 27 VAL H 1 27 VAL HB 2.266 . 6.000 3.642 3.630 3.659 . 0 0 "[ . 1 . 2]" 2
939 1 27 VAL H 1 27 VAL MG1 2.306 . 2.970 2.143 2.112 2.169 . 0 0 "[ . 1 . 2]" 2
940 1 27 VAL H 1 27 VAL MG2 2.767 . 3.724 2.092 2.033 2.143 . 0 0 "[ . 1 . 2]" 2
941 1 27 VAL H 1 28 ARG H 2.581 . 3.414 2.706 2.663 2.748 . 0 0 "[ . 1 . 2]" 2
942 1 27 VAL H 1 29 LEU H 3.702 . 5.415 4.226 4.152 4.299 . 0 0 "[ . 1 . 2]" 2
943 1 25 LEU HA 1 28 ARG H 2.983 . 4.095 3.806 3.674 3.899 . 0 0 "[ . 1 . 2]" 2
944 1 27 VAL HA 1 28 ARG H 3.082 . 4.269 3.538 3.517 3.551 . 0 0 "[ . 1 . 2]" 2
945 1 27 VAL HB 1 28 ARG H 2.540 . 6.000 3.884 3.823 3.921 . 0 0 "[ . 1 . 2]" 2
946 1 27 VAL MG1 1 28 ARG H 3.125 . 4.346 3.985 3.966 4.003 . 0 0 "[ . 1 . 2]" 2
947 1 27 VAL MG2 1 28 ARG H 2.889 . 3.932 2.271 2.218 2.318 . 0 0 "[ . 1 . 2]" 2
948 1 28 ARG H 1 28 ARG HA 2.555 . 3.371 2.854 2.830 2.868 . 0 0 "[ . 1 . 2]" 2
949 1 28 ARG H 1 28 ARG HB3 2.338 . 3.021 2.639 2.424 3.632 0.611 15 1 "[ . 1 + 2]" 2
950 1 28 ARG H 1 28 ARG HD3 3.581 . 5.184 4.873 4.769 4.973 . 0 0 "[ . 1 . 2]" 2
951 1 28 ARG H 1 28 ARG HG3 2.673 . 3.566 3.287 2.462 3.607 0.041 20 0 "[ . 1 . 2]" 2
952 1 25 LEU HG 1 29 LEU H 3.407 . 4.858 4.754 4.496 4.869 0.011 20 0 "[ . 1 . 2]" 2
953 1 26 LYS HA 1 29 LEU H 3.007 . 4.137 3.755 3.571 3.843 . 0 0 "[ . 1 . 2]" 2
954 1 28 ARG HA 1 29 LEU H 3.080 . 4.266 3.538 3.526 3.552 . 0 0 "[ . 1 . 2]" 2
955 1 28 ARG HD3 1 29 LEU H 3.682 . 5.377 4.758 4.410 5.656 0.279 15 0 "[ . 1 . 2]" 2
956 1 28 ARG HG3 1 29 LEU H 3.010 . 4.142 2.425 2.099 4.158 0.016 15 0 "[ . 1 . 2]" 2
957 1 28 ARG H 1 29 LEU H 2.535 . 3.338 2.588 2.536 2.708 . 0 0 "[ . 1 . 2]" 2
958 1 29 LEU H 1 29 LEU HA 2.592 . 3.432 2.849 2.828 2.867 . 0 0 "[ . 1 . 2]" 2
959 1 29 LEU H 1 29 LEU HB2 2.300 . 2.961 2.504 2.454 2.587 . 0 0 "[ . 1 . 2]" 2
960 1 29 LEU H 1 29 LEU HB3 2.677 . 3.573 3.595 3.588 3.615 0.042 5 0 "[ . 1 . 2]" 2
961 1 29 LEU H 1 29 LEU MD1 3.045 . 4.204 3.795 3.748 3.829 . 0 0 "[ . 1 . 2]" 2
962 1 29 LEU H 1 29 LEU MD2 2.919 . 3.984 2.996 2.717 3.486 . 0 0 "[ . 1 . 2]" 2
963 1 29 LEU H 1 29 LEU HG 2.407 . 3.131 2.349 2.199 2.559 . 0 0 "[ . 1 . 2]" 2
964 1 29 LEU H 1 30 LEU H 2.487 . 3.260 2.497 2.425 2.611 . 0 0 "[ . 1 . 2]" 2
965 1 29 LEU H 1 31 GLU H 3.419 . 4.880 4.004 3.918 4.117 . 0 0 "[ . 1 . 2]" 2
966 1 27 VAL HA 1 30 LEU H 2.892 . 3.937 3.266 3.153 3.364 . 0 0 "[ . 1 . 2]" 2
967 1 28 ARG HA 1 30 LEU H 3.704 . 5.419 4.251 4.157 4.420 . 0 0 "[ . 1 . 2]" 2
968 1 29 LEU HB2 1 30 LEU H 2.770 . 3.729 2.869 2.828 2.942 . 0 0 "[ . 1 . 2]" 2
969 1 29 LEU HB3 1 30 LEU H 2.938 . 4.017 3.886 3.829 3.965 . 0 0 "[ . 1 . 2]" 2
970 1 30 LEU H 1 30 LEU HA 2.524 . 3.321 2.811 2.791 2.824 . 0 0 "[ . 1 . 2]" 2
971 1 30 LEU H 1 30 LEU HB2 2.352 . 3.044 2.239 2.217 2.274 . 0 0 "[ . 1 . 2]" 2
972 1 30 LEU H 1 30 LEU HB3 2.614 . 3.468 3.519 3.507 3.534 0.066 14 0 "[ . 1 . 2]" 2
973 1 30 LEU H 1 30 LEU MD2 2.620 . 6.000 3.787 3.715 3.840 . 0 0 "[ . 1 . 2]" 2
974 1 30 LEU H 1 30 LEU HG 2.461 . 3.218 2.760 2.678 2.851 . 0 0 "[ . 1 . 2]" 2
975 1 30 LEU H 1 31 GLU H 2.614 . 3.468 2.707 2.657 2.759 . 0 0 "[ . 1 . 2]" 2
976 1 30 LEU H 1 32 THR H 3.352 . 4.757 4.424 4.247 4.615 . 0 0 "[ . 1 . 2]" 2
977 1 27 VAL HA 1 31 GLU H 3.695 . 5.402 4.895 4.604 5.101 . 0 0 "[ . 1 . 2]" 2
978 1 28 ARG HA 1 31 GLU H 3.116 . 4.330 3.815 3.565 4.035 . 0 0 "[ . 1 . 2]" 2
979 1 29 LEU HB3 1 31 GLU H 3.868 . 5.738 4.985 4.784 5.236 . 0 0 "[ . 1 . 2]" 2
980 1 30 LEU HA 1 31 GLU H 2.936 . 4.014 3.368 3.320 3.466 . 0 0 "[ . 1 . 2]" 2
981 1 30 LEU HB2 1 31 GLU H 3.053 . 4.218 3.411 3.097 3.542 . 0 0 "[ . 1 . 2]" 2
982 1 30 LEU HB3 1 31 GLU H 3.237 . 4.547 3.931 3.727 4.023 . 0 0 "[ . 1 . 2]" 2
983 1 30 LEU HG 1 31 GLU H 3.596 . 5.213 4.946 4.830 5.017 . 0 0 "[ . 1 . 2]" 2
984 1 31 GLU H 1 31 GLU HA 2.618 . 3.475 2.920 2.885 2.935 . 0 0 "[ . 1 . 2]" 2
985 1 31 GLU H 1 31 GLU HB2 2.453 . 3.205 2.505 2.380 2.635 . 0 0 "[ . 1 . 2]" 2
986 1 31 GLU H 1 31 GLU HG3 2.705 . 3.620 3.128 2.355 3.757 0.137 15 0 "[ . 1 . 2]" 2
987 1 31 GLU H 1 31 GLU HG2 3.080 . 4.266 3.028 2.311 3.717 . 0 0 "[ . 1 . 2]" 2
988 1 31 GLU HB2 1 32 THR H 3.236 . 4.545 3.862 3.731 4.043 . 0 0 "[ . 1 . 2]" 2
989 1 31 GLU HG3 1 32 THR H 3.861 . 5.724 5.257 4.734 5.752 0.028 7 0 "[ . 1 . 2]" 2
990 1 31 GLU H 1 32 THR H 2.466 . 3.226 2.613 2.399 2.802 . 0 0 "[ . 1 . 2]" 2
991 1 32 THR H 1 32 THR HA 2.631 . 3.496 2.924 2.901 2.948 . 0 0 "[ . 1 . 2]" 2
992 1 32 THR H 1 32 THR HB 2.247 . 2.878 2.596 2.483 2.759 . 0 0 "[ . 1 . 2]" 2
993 1 32 THR H 1 32 THR MG 2.960 . 6.000 3.808 3.779 3.843 . 0 0 "[ . 1 . 2]" 2
994 1 32 THR H 1 35 VAL HB 3.110 . 4.319 4.237 3.260 4.488 0.169 9 0 "[ . 1 . 2]" 2
995 1 32 THR H 1 35 VAL QG 2.863 . 3.887 2.238 2.078 2.916 . 0 0 "[ . 1 . 2]" 2
996 1 32 THR HA 1 33 GLU H 1.900 . 2.351 2.262 2.205 2.295 . 0 0 "[ . 1 . 2]" 2
997 1 32 THR HB 1 33 GLU H 3.101 . 4.303 3.857 3.552 4.020 . 0 0 "[ . 1 . 2]" 2
998 1 32 THR MG 1 33 GLU H 2.440 . 3.184 2.152 1.741 2.362 . 0 0 "[ . 1 . 2]" 2
999 1 32 THR H 1 33 GLU H 3.438 . 4.916 4.555 4.505 4.588 . 0 0 "[ . 1 . 2]" 2
1000 1 33 GLU H 1 33 GLU HB3 2.249 . 2.881 2.520 2.417 2.718 . 0 0 "[ . 1 . 2]" 2
1001 1 33 GLU H 1 33 GLU HB2 2.408 . 3.133 2.540 2.296 2.664 . 0 0 "[ . 1 . 2]" 2
1002 1 33 GLU H 1 33 GLU HG3 2.864 . 6.000 4.474 4.422 4.555 . 0 0 "[ . 1 . 2]" 2
1003 1 33 GLU HA 1 34 GLY H 2.043 . 2.565 2.138 2.107 2.202 . 0 0 "[ . 1 . 2]" 2
1004 1 33 GLU HB3 1 34 GLY H 3.277 . 4.619 4.340 4.162 4.447 . 0 0 "[ . 1 . 2]" 2
1005 1 33 GLU HB2 1 34 GLY H 3.270 . 4.607 4.378 4.263 4.508 . 0 0 "[ . 1 . 2]" 2
1006 1 33 GLU HG3 1 34 GLY H 2.950 . 4.038 3.581 3.226 4.912 0.874 10 1 "[ . + . 2]" 2
1007 1 33 GLU H 1 34 GLY H 3.333 . 4.722 4.410 4.301 4.466 . 0 0 "[ . 1 . 2]" 2
1008 1 34 GLY H 1 34 GLY HA3 2.630 . 3.494 2.941 2.914 2.952 . 0 0 "[ . 1 . 2]" 2
1009 1 34 GLY H 1 34 GLY HA2 2.411 . 3.138 2.401 2.348 2.436 . 0 0 "[ . 1 . 2]" 2
1010 1 34 GLY H 1 35 VAL H 2.592 . 3.432 2.213 2.102 2.424 . 0 0 "[ . 1 . 2]" 2
1011 1 33 GLU H 1 35 VAL H 3.726 . 5.462 4.879 4.528 5.162 . 0 0 "[ . 1 . 2]" 2
1012 1 34 GLY HA3 1 35 VAL H 2.913 . 3.973 3.358 3.189 3.467 . 0 0 "[ . 1 . 2]" 2
1013 1 34 GLY HA2 1 35 VAL H 3.049 . 4.211 3.202 3.023 3.376 . 0 0 "[ . 1 . 2]" 2
1014 1 35 VAL H 1 35 VAL HA 2.588 . 3.425 2.884 2.844 2.918 . 0 0 "[ . 1 . 2]" 2
1015 1 35 VAL H 1 35 VAL HB 2.228 . 6.000 3.478 2.419 3.675 . 0 0 "[ . 1 . 2]" 2
1016 1 35 VAL H 1 35 VAL QG 2.324 . 6.000 1.953 1.857 2.383 . 0 0 "[ . 1 . 2]" 2
1017 1 35 VAL H 1 36 LYS H 3.746 . 5.500 4.551 4.470 4.600 . 0 0 "[ . 1 . 2]" 2
1018 1 35 VAL H 1 51 ILE HA 4.154 . 6.311 4.922 4.716 5.131 . 0 0 "[ . 1 . 2]" 2
1019 1 35 VAL HA 1 36 LYS H 2.318 . 2.990 2.182 2.138 2.284 . 0 0 "[ . 1 . 2]" 2
1020 1 35 VAL QG 1 36 LYS H 2.700 . 6.000 3.286 2.576 3.485 . 0 0 "[ . 1 . 2]" 2
1021 1 36 LYS H 1 36 LYS HA 2.989 . 4.105 2.942 2.923 2.950 . 0 0 "[ . 1 . 2]" 2
1022 1 36 LYS H 1 36 LYS QB 3.014 . 4.150 2.468 2.333 2.576 . 0 0 "[ . 1 . 2]" 2
1023 1 36 LYS H 1 36 LYS HD3 3.305 . 4.670 4.699 4.042 5.003 0.333 7 0 "[ . 1 . 2]" 2
1024 1 36 LYS H 1 36 LYS HG2 2.521 . 3.315 2.897 2.637 3.320 0.005 4 0 "[ . 1 . 2]" 2
1025 1 36 LYS H 1 38 VAL MG2 3.162 . 6.000 4.578 4.145 4.845 . 0 0 "[ . 1 . 2]" 2
1026 1 36 LYS H 1 50 LYS H 3.593 . 5.207 4.315 4.082 4.596 . 0 0 "[ . 1 . 2]" 2
1027 1 36 LYS H 1 51 ILE HA 2.878 . 3.913 2.949 2.432 3.358 . 0 0 "[ . 1 . 2]" 2
1028 1 30 LEU MD2 1 37 GLU H 2.881 . 3.918 3.652 3.595 3.687 . 0 0 "[ . 1 . 2]" 2
1029 1 35 VAL HA 1 37 GLU H 3.055 . 4.221 3.750 3.575 3.909 . 0 0 "[ . 1 . 2]" 2
1030 1 35 VAL QG 1 37 GLU H 2.571 . 6.000 3.713 2.340 4.114 . 0 0 "[ . 1 . 2]" 2
1031 1 36 LYS HA 1 37 GLU H 3.206 . 4.491 3.483 3.433 3.524 . 0 0 "[ . 1 . 2]" 2
1032 1 36 LYS QB 1 37 GLU H 2.656 . 3.538 2.737 2.514 2.941 . 0 0 "[ . 1 . 2]" 2
1033 1 36 LYS H 1 37 GLU H 2.388 . 3.101 1.966 1.741 2.170 . 0 0 "[ . 1 . 2]" 2
1034 1 37 GLU H 1 37 GLU HA 2.802 . 3.783 2.833 2.819 2.864 . 0 0 "[ . 1 . 2]" 2
1035 1 37 GLU H 1 37 GLU HB2 3.285 . 4.634 3.553 3.458 3.679 . 0 0 "[ . 1 . 2]" 2
1036 1 37 GLU H 1 37 GLU HB3 2.678 . 3.574 3.011 2.943 3.073 . 0 0 "[ . 1 . 2]" 2
1037 1 37 GLU H 1 37 GLU QG 3.290 . 4.643 4.148 3.973 4.285 . 0 0 "[ . 1 . 2]" 2
1038 1 37 GLU H 1 38 VAL H 3.320 . 4.698 4.186 4.156 4.248 . 0 0 "[ . 1 . 2]" 2
1039 1 37 GLU H 1 49 VAL HA 3.649 . 5.313 4.620 4.458 4.850 . 0 0 "[ . 1 . 2]" 2
1040 1 37 GLU H 1 50 LYS QB 2.666 . 3.554 2.765 2.363 3.172 . 0 0 "[ . 1 . 2]" 2
1041 1 37 GLU H 1 50 LYS H 2.849 . 3.864 3.276 3.092 3.389 . 0 0 "[ . 1 . 2]" 2
1042 1 37 GLU H 1 51 ILE HA 3.681 . 5.375 4.527 4.132 4.877 . 0 0 "[ . 1 . 2]" 2
1043 1 26 LYS HE3 1 38 VAL H 3.960 . 5.921 2.936 2.410 3.367 . 0 0 "[ . 1 . 2]" 2
1044 1 37 GLU HA 1 38 VAL H 2.196 . 2.799 2.232 2.195 2.271 . 0 0 "[ . 1 . 2]" 2
1045 1 37 GLU HB2 1 38 VAL H 2.896 . 3.944 3.993 3.881 4.113 0.169 13 0 "[ . 1 . 2]" 2
1046 1 37 GLU QG 1 38 VAL H 2.915 . 3.977 2.518 2.380 2.709 . 0 0 "[ . 1 . 2]" 2
1047 1 38 VAL H 1 38 VAL HA 2.891 . 3.936 2.948 2.943 2.954 . 0 0 "[ . 1 . 2]" 2
1048 1 38 VAL H 1 38 VAL HB 2.615 . 3.469 2.711 2.639 2.815 . 0 0 "[ . 1 . 2]" 2
1049 1 38 VAL H 1 38 VAL MG2 2.562 . 6.000 2.816 2.637 2.917 . 0 0 "[ . 1 . 2]" 2
1050 1 38 VAL HA 1 39 LEU H 2.347 . 3.036 2.122 2.086 2.150 . 0 0 "[ . 1 . 2]" 2
1051 1 38 VAL MG1 1 39 LEU H 2.633 . 3.500 2.787 2.595 2.979 . 0 0 "[ . 1 . 2]" 2
1052 1 38 VAL H 1 39 LEU H 3.399 . 4.843 4.225 4.086 4.336 . 0 0 "[ . 1 . 2]" 2
1053 1 39 LEU H 1 39 LEU QB 2.862 . 3.886 2.342 2.233 2.425 . 0 0 "[ . 1 . 2]" 2
1054 1 39 LEU H 1 39 LEU HG 3.509 . 5.048 4.306 3.822 4.619 . 0 0 "[ . 1 . 2]" 2
1055 1 39 LEU H 1 48 TYR HA 3.767 . 5.540 4.569 4.512 4.651 . 0 0 "[ . 1 . 2]" 2
1056 1 39 LEU H 1 48 TYR HB2 3.442 . 4.923 3.572 3.287 3.759 . 0 0 "[ . 1 . 2]" 2
1057 1 39 LEU H 1 48 TYR H 3.173 . 4.431 3.102 2.812 3.372 . 0 0 "[ . 1 . 2]" 2
1058 1 39 LEU H 1 49 VAL HA 3.261 . 4.590 3.159 2.925 3.437 . 0 0 "[ . 1 . 2]" 2
1059 1 39 LEU H 1 50 LYS H 3.864 . 5.731 4.221 3.924 4.495 . 0 0 "[ . 1 . 2]" 2
1060 1 40 ILE H 1 40 ILE HB 3.406 . 4.856 2.348 2.254 2.460 . 0 0 "[ . 1 . 2]" 2
1061 1 40 ILE H 1 40 ILE HG12 3.753 . 5.514 4.220 4.007 4.407 . 0 0 "[ . 1 . 2]" 2
1062 1 15 ILE MD 1 41 ALA H 3.957 . 5.915 3.465 3.207 3.763 . 0 0 "[ . 1 . 2]" 2
1063 1 40 ILE HA 1 41 ALA H 2.255 . 2.890 2.131 2.110 2.155 . 0 0 "[ . 1 . 2]" 2
1064 1 40 ILE HB 1 41 ALA H 3.409 . 4.861 4.360 4.310 4.432 . 0 0 "[ . 1 . 2]" 2
1065 1 40 ILE MG 1 41 ALA H 2.769 . 3.727 2.605 2.444 2.831 . 0 0 "[ . 1 . 2]" 2
1066 1 41 ALA H 1 41 ALA HA 2.924 . 3.993 2.944 2.932 2.948 . 0 0 "[ . 1 . 2]" 2
1067 1 41 ALA H 1 41 ALA MB 2.502 . 3.285 2.392 2.288 2.484 . 0 0 "[ . 1 . 2]" 2
1068 1 41 ALA H 1 46 SER QB 3.864 . 5.731 4.394 4.174 4.689 . 0 0 "[ . 1 . 2]" 2
1069 1 41 ALA H 1 47 ALA HA 2.936 . 4.014 2.664 2.236 2.871 . 0 0 "[ . 1 . 2]" 2
1070 1 41 ALA HA 1 42 GLU H 2.309 . 2.976 2.263 2.207 2.327 . 0 0 "[ . 1 . 2]" 2
1071 1 41 ALA H 1 42 GLU H 3.140 . 4.373 3.840 3.626 4.034 . 0 0 "[ . 1 . 2]" 2
1072 1 42 GLU H 1 42 GLU HA 2.804 . 3.787 2.816 2.782 2.850 . 0 0 "[ . 1 . 2]" 2
1073 1 42 GLU H 1 42 GLU HB2 2.500 . 3.281 2.248 2.062 2.552 . 0 0 "[ . 1 . 2]" 2
1074 1 42 GLU H 1 42 GLU HG2 2.930 . 4.003 3.730 3.278 4.499 0.496 20 0 "[ . 1 . 2]" 2
1075 1 42 GLU H 1 43 GLU H 3.316 . 4.690 2.633 2.498 2.783 . 0 0 "[ . 1 . 2]" 2
1076 1 41 ALA MB 1 43 GLU H 4.058 . 6.116 3.679 3.339 3.971 . 0 0 "[ . 1 . 2]" 2
1077 1 42 GLU HA 1 43 GLU H 3.738 . 5.485 3.497 3.416 3.549 . 0 0 "[ . 1 . 2]" 2
1078 1 43 GLU H 1 43 GLU HB3 2.738 . 3.675 3.022 2.493 3.607 . 0 0 "[ . 1 . 2]" 2
1079 1 43 GLU H 1 43 GLU HG2 3.463 . 4.962 3.489 1.939 4.481 0.025 14 0 "[ . 1 . 2]" 2
1080 1 41 ALA MB 1 44 GLU H 2.986 . 4.101 2.819 2.709 3.037 . 0 0 "[ . 1 . 2]" 2
1081 1 42 GLU HA 1 44 GLU H 3.161 . 4.410 3.981 3.548 4.340 . 0 0 "[ . 1 . 2]" 2
1082 1 42 GLU H 1 44 GLU H 4.164 . 6.331 4.114 3.926 4.351 . 0 0 "[ . 1 . 2]" 2
1083 1 43 GLU HA 1 44 GLU H 3.126 . 4.347 3.466 3.313 3.528 . 0 0 "[ . 1 . 2]" 2
1084 1 43 GLU H 1 44 GLU H 2.950 . 4.038 2.592 2.455 2.761 . 0 0 "[ . 1 . 2]" 2
1085 1 44 GLU H 1 44 GLU HA 2.841 . 3.850 2.925 2.868 2.950 . 0 0 "[ . 1 . 2]" 2
1086 1 44 GLU H 1 44 GLU HB3 2.776 . 3.739 3.437 2.461 3.727 . 0 0 "[ . 1 . 2]" 2
1087 1 44 GLU H 1 44 GLU HB2 2.656 . 3.538 2.568 2.395 2.967 . 0 0 "[ . 1 . 2]" 2
1088 1 44 GLU H 1 45 HIS H 2.395 . 3.112 2.192 1.921 2.448 . 0 0 "[ . 1 . 2]" 2
1089 1 21 ALA MB 1 45 HIS H 4.036 . 6.072 4.447 3.926 4.936 . 0 0 "[ . 1 . 2]" 2
1090 1 41 ALA MB 1 45 HIS H 3.595 . 5.211 3.997 3.815 4.225 . 0 0 "[ . 1 . 2]" 2
1091 1 43 GLU HA 1 45 HIS H 3.785 . 5.576 3.894 3.702 4.120 . 0 0 "[ . 1 . 2]" 2
1092 1 43 GLU H 1 45 HIS H 4.012 . 6.024 3.737 3.522 3.972 . 0 0 "[ . 1 . 2]" 2
1093 1 44 GLU HA 1 45 HIS H 3.213 . 4.503 3.286 3.209 3.369 . 0 0 "[ . 1 . 2]" 2
1094 1 44 GLU HB3 1 45 HIS H 3.489 . 5.011 4.049 3.295 4.328 . 0 0 "[ . 1 . 2]" 2
1095 1 44 GLU HB2 1 45 HIS H 3.341 . 4.736 3.571 3.221 4.249 . 0 0 "[ . 1 . 2]" 2
1096 1 45 HIS H 1 45 HIS HA 2.320 . 2.993 2.267 2.257 2.277 . 0 0 "[ . 1 . 2]" 2
1097 1 45 HIS H 1 45 HIS HB3 3.112 . 4.322 3.679 3.598 3.814 . 0 0 "[ . 1 . 2]" 2
1098 1 45 HIS H 1 45 HIS HB2 3.072 . 4.251 3.007 2.962 3.067 . 0 0 "[ . 1 . 2]" 2
1099 1 15 ILE MD 1 46 SER H 3.377 . 4.802 2.915 2.763 3.115 . 0 0 "[ . 1 . 2]" 2
1100 1 41 ALA MB 1 46 SER H 2.863 . 3.887 2.805 2.479 3.110 . 0 0 "[ . 1 . 2]" 2
1101 1 41 ALA H 1 46 SER H 3.331 . 4.718 3.549 3.415 3.754 . 0 0 "[ . 1 . 2]" 2
1102 1 44 GLU HB3 1 46 SER H 3.338 . 4.731 3.685 2.691 4.119 . 0 0 "[ . 1 . 2]" 2
1103 1 44 GLU HB2 1 46 SER H 3.123 . 4.342 3.116 2.612 4.442 0.100 2 0 "[ . 1 . 2]" 2
1104 1 44 GLU H 1 46 SER H 3.301 . 4.663 3.488 3.227 3.763 . 0 0 "[ . 1 . 2]" 2
1105 1 45 HIS HA 1 46 SER H 2.466 . 3.226 2.730 2.687 2.806 . 0 0 "[ . 1 . 2]" 2
1106 1 45 HIS HB3 1 46 SER H 3.527 . 5.082 4.244 4.202 4.277 . 0 0 "[ . 1 . 2]" 2
1107 1 45 HIS HB2 1 46 SER H 3.548 . 5.121 4.571 4.530 4.601 . 0 0 "[ . 1 . 2]" 2
1108 1 45 HIS H 1 46 SER H 2.687 . 3.589 2.734 2.615 2.809 . 0 0 "[ . 1 . 2]" 2
1109 1 46 SER H 1 46 SER HA 2.859 . 3.881 2.925 2.912 2.937 . 0 0 "[ . 1 . 2]" 2
1110 1 46 SER H 1 46 SER QB 2.689 . 3.593 2.714 2.600 2.815 . 0 0 "[ . 1 . 2]" 2
1111 1 46 SER H 1 47 ALA H 3.707 . 5.425 4.400 4.382 4.432 . 0 0 "[ . 1 . 2]" 2
1112 1 12 ARG HA 1 47 ALA H 3.983 . 5.966 4.070 3.818 4.285 . 0 0 "[ . 1 . 2]" 2
1113 1 12 ARG HG3 1 47 ALA H 3.731 . 5.471 4.382 3.718 4.695 . 0 0 "[ . 1 . 2]" 2
1114 1 13 ILE HA 1 47 ALA H 3.258 . 4.584 4.438 4.336 4.580 . 0 0 "[ . 1 . 2]" 2
1115 1 13 ILE HB 1 47 ALA H 3.313 . 4.685 2.922 2.669 3.194 . 0 0 "[ . 1 . 2]" 2
1116 1 15 ILE MD 1 47 ALA H 3.441 . 4.921 3.578 2.974 4.233 . 0 0 "[ . 1 . 2]" 2
1117 1 15 ILE HG13 1 47 ALA H 3.151 . 4.392 3.009 2.686 3.513 . 0 0 "[ . 1 . 2]" 2
1118 1 15 ILE H 1 47 ALA H 3.593 . 5.207 4.116 3.895 4.328 . 0 0 "[ . 1 . 2]" 2
1119 1 46 SER HA 1 47 ALA H 2.356 . 3.050 2.400 2.320 2.538 . 0 0 "[ . 1 . 2]" 2
1120 1 46 SER QB 1 47 ALA H 2.672 . 3.565 2.546 2.266 3.323 . 0 0 "[ . 1 . 2]" 2
1121 1 47 ALA H 1 47 ALA MB 2.664 . 3.551 2.461 2.389 2.635 . 0 0 "[ . 1 . 2]" 2
1122 1 39 LEU QB 1 48 TYR H 3.737 . 5.483 2.715 2.379 3.072 . 0 0 "[ . 1 . 2]" 2
1123 1 39 LEU MD2 1 48 TYR H 3.349 . 4.751 3.939 2.951 4.530 . 0 0 "[ . 1 . 2]" 2
1124 1 40 ILE HA 1 48 TYR H 3.488 . 5.009 3.662 3.537 3.787 . 0 0 "[ . 1 . 2]" 2
1125 1 41 ALA H 1 48 TYR H 3.893 . 5.787 4.027 3.548 4.399 . 0 0 "[ . 1 . 2]" 2
1126 1 47 ALA HA 1 48 TYR H 2.424 . 3.159 2.227 2.135 2.317 . 0 0 "[ . 1 . 2]" 2
1127 1 47 ALA MB 1 48 TYR H 3.032 . 6.000 2.943 2.591 3.237 . 0 0 "[ . 1 . 2]" 2
1128 1 48 TYR H 1 48 TYR HB2 2.963 . 4.060 2.466 2.333 2.614 . 0 0 "[ . 1 . 2]" 2
1129 1 48 TYR H 1 48 TYR QD 3.191 . 4.464 2.686 2.173 3.053 . 0 0 "[ . 1 . 2]" 2
1130 1 11 LEU HB2 1 49 VAL H 3.809 . 5.622 2.927 2.753 3.074 . 0 0 "[ . 1 . 2]" 2
1131 1 12 ARG HA 1 49 VAL H 3.864 . 5.731 3.893 3.691 4.111 . 0 0 "[ . 1 . 2]" 2
1132 1 48 TYR HA 1 49 VAL H 2.579 . 3.410 2.106 2.081 2.131 . 0 0 "[ . 1 . 2]" 2
1133 1 48 TYR HB3 1 49 VAL H 3.908 . 5.817 3.747 3.715 3.784 . 0 0 "[ . 1 . 2]" 2
1134 1 49 VAL H 1 49 VAL HB 3.095 . 4.293 2.573 2.521 2.657 . 0 0 "[ . 1 . 2]" 2
1135 1 49 VAL H 1 49 VAL MG1 3.693 . 5.398 3.812 3.789 3.841 . 0 0 "[ . 1 . 2]" 2
1136 1 49 VAL H 1 49 VAL MG2 3.044 . 4.202 2.354 2.173 2.454 . 0 0 "[ . 1 . 2]" 2
1137 1 37 GLU HA 1 50 LYS H 3.983 . 5.966 4.835 4.700 4.965 . 0 0 "[ . 1 . 2]" 2
1138 1 37 GLU HB3 1 50 LYS H 3.528 . 5.084 3.650 3.094 3.986 . 0 0 "[ . 1 . 2]" 2
1139 1 38 VAL HA 1 50 LYS H 3.471 . 4.977 3.225 2.930 3.420 . 0 0 "[ . 1 . 2]" 2
1140 1 49 VAL HA 1 50 LYS H 2.276 . 2.924 2.122 2.043 2.143 . 0 0 "[ . 1 . 2]" 2
1141 1 49 VAL HB 1 50 LYS H 3.112 . 4.323 4.286 4.144 4.329 0.006 7 0 "[ . 1 . 2]" 2
1142 1 49 VAL MG1 1 50 LYS H 2.833 . 3.836 2.985 2.637 3.108 . 0 0 "[ . 1 . 2]" 2
1143 1 50 LYS H 1 50 LYS QB 2.618 . 3.475 2.368 2.111 2.483 . 0 0 "[ . 1 . 2]" 2
1144 1 50 LYS H 1 50 LYS HD2 3.169 . 4.425 4.363 4.096 5.028 0.603 4 2 "[ +. 1- . 2]" 2
1145 1 50 LYS H 1 50 LYS HG2 3.574 . 5.170 3.542 2.583 4.522 . 0 0 "[ . 1 . 2]" 2
1146 1 9 SER H 1 51 ILE H 3.827 . 5.658 2.354 2.135 2.985 . 0 0 "[ . 1 . 2]" 2
1147 1 50 LYS HA 1 51 ILE H 2.539 . 3.345 2.132 2.099 2.217 . 0 0 "[ . 1 . 2]" 2
1148 1 50 LYS H 1 51 ILE H 3.853 . 5.709 4.417 4.337 4.477 . 0 0 "[ . 1 . 2]" 2
1149 1 51 ILE H 1 51 ILE HB 3.156 . 4.401 3.726 3.705 3.766 . 0 0 "[ . 1 . 2]" 2
1150 1 51 ILE H 1 51 ILE MD 3.586 . 5.193 3.853 3.746 3.976 . 0 0 "[ . 1 . 2]" 2
1151 1 51 ILE H 1 51 ILE HG13 3.227 . 4.529 2.936 2.466 3.447 . 0 0 "[ . 1 . 2]" 2
1152 1 51 ILE H 1 51 ILE HG12 2.976 . 4.083 2.307 2.079 2.758 . 0 0 "[ . 1 . 2]" 2
1153 1 51 ILE H 1 51 ILE MG 3.229 . 4.532 2.505 2.170 2.777 . 0 0 "[ . 1 . 2]" 2
1154 1 34 GLY HA2 1 52 ASP H 3.724 . 5.458 3.671 3.392 3.874 . 0 0 "[ . 1 . 2]" 2
1155 1 35 VAL HA 1 52 ASP H 3.375 . 4.799 3.796 3.509 4.083 . 0 0 "[ . 1 . 2]" 2
1156 1 36 LYS HG2 1 52 ASP H 3.287 . 4.637 3.094 2.815 3.462 . 0 0 "[ . 1 . 2]" 2
1157 1 36 LYS H 1 52 ASP H 3.916 . 5.833 4.291 3.914 4.707 . 0 0 "[ . 1 . 2]" 2
1158 1 51 ILE HA 1 52 ASP H 2.508 . 3.294 2.276 2.186 2.385 . 0 0 "[ . 1 . 2]" 2
1159 1 51 ILE HB 1 52 ASP H 2.766 . 3.723 2.464 2.134 2.883 . 0 0 "[ . 1 . 2]" 2
1160 1 51 ILE MD 1 52 ASP H 3.607 . 5.233 4.033 3.520 4.419 . 0 0 "[ . 1 . 2]" 2
1161 1 51 ILE HG12 1 52 ASP H 3.427 . 4.895 4.681 4.494 5.098 0.203 9 0 "[ . 1 . 2]" 2
1162 1 51 ILE MG 1 52 ASP H 3.272 . 4.610 3.708 3.475 4.048 . 0 0 "[ . 1 . 2]" 2
1163 1 52 ASP H 1 52 ASP HB3 2.770 . 3.729 2.505 2.445 2.568 . 0 0 "[ . 1 . 2]" 2
1164 1 52 ASP H 1 52 ASP HB2 2.831 . 3.833 2.741 2.648 2.864 . 0 0 "[ . 1 . 2]" 2
1165 1 52 ASP H 1 56 THR MG 3.361 . 4.773 2.852 2.540 3.385 . 0 0 "[ . 1 . 2]" 2
1166 1 7 TYR HB3 1 53 SER H 3.789 . 5.583 3.109 2.320 3.744 . 0 0 "[ . 1 . 2]" 2
1167 1 8 VAL QG 1 53 SER H 3.635 . 5.287 4.556 4.453 4.677 . 0 0 "[ . 1 . 2]" 2
1168 1 51 ILE HG13 1 53 SER H 3.599 . 5.218 3.460 2.957 3.783 . 0 0 "[ . 1 . 2]" 2
1169 1 52 ASP HA 1 53 SER H 2.416 . 3.146 2.164 2.100 2.230 . 0 0 "[ . 1 . 2]" 2
1170 1 52 ASP HB3 1 53 SER H 3.767 . 5.541 4.384 4.336 4.425 . 0 0 "[ . 1 . 2]" 2
1171 1 52 ASP HB2 1 53 SER H 3.673 . 5.359 4.470 4.318 4.575 . 0 0 "[ . 1 . 2]" 2
1172 1 53 SER H 1 53 SER HA 2.806 . 3.790 2.830 2.811 2.850 . 0 0 "[ . 1 . 2]" 2
1173 1 53 SER H 1 53 SER HB3 3.043 . 4.200 3.164 2.534 3.587 . 0 0 "[ . 1 . 2]" 2
1174 1 53 SER H 1 53 SER HB2 2.911 . 3.971 2.862 2.424 3.598 . 0 0 "[ . 1 . 2]" 2
1175 1 53 SER H 1 55 VAL H 3.948 . 5.897 4.573 4.350 4.752 . 0 0 "[ . 1 . 2]" 2
1176 1 7 TYR HB3 1 54 LYS H 3.801 . 5.607 3.706 3.253 4.552 . 0 0 "[ . 1 . 2]" 2
1177 1 52 ASP HA 1 54 LYS H 3.361 . 4.773 3.465 3.330 3.548 . 0 0 "[ . 1 . 2]" 2
1178 1 52 ASP HB3 1 54 LYS H 3.914 . 5.829 3.851 3.732 3.976 . 0 0 "[ . 1 . 2]" 2
1179 1 53 SER HA 1 54 LYS H 3.158 . 4.405 3.300 3.235 3.373 . 0 0 "[ . 1 . 2]" 2
1180 1 53 SER HB3 1 54 LYS H 3.396 . 4.837 4.241 3.319 4.463 . 0 0 "[ . 1 . 2]" 2
1181 1 53 SER HB2 1 54 LYS H 3.860 . 5.723 3.848 3.374 4.339 . 0 0 "[ . 1 . 2]" 2
1182 1 54 LYS H 1 54 LYS HA 2.806 . 3.790 2.901 2.872 2.909 . 0 0 "[ . 1 . 2]" 2
1183 1 54 LYS H 1 54 LYS HB2 2.623 . 3.483 2.456 2.382 2.535 . 0 0 "[ . 1 . 2]" 2
1184 1 54 LYS H 1 54 LYS HB3 2.941 . 4.022 3.625 3.590 3.656 . 0 0 "[ . 1 . 2]" 2
1185 1 54 LYS H 1 54 LYS HD3 3.664 . 5.342 4.655 4.264 5.002 . 0 0 "[ . 1 . 2]" 2
1186 1 54 LYS H 1 54 LYS HG3 2.917 . 3.981 3.788 3.602 3.999 0.018 3 0 "[ . 1 . 2]" 2
1187 1 54 LYS H 1 55 VAL MG1 3.358 . 4.767 3.686 3.529 3.790 . 0 0 "[ . 1 . 2]" 2
1188 1 54 LYS H 1 55 VAL H 2.448 . 3.197 2.326 2.259 2.438 . 0 0 "[ . 1 . 2]" 2
1189 1 54 LYS H 1 56 THR H 3.440 . 4.919 3.627 3.465 3.805 . 0 0 "[ . 1 . 2]" 2
1190 1 52 ASP HB3 1 55 VAL H 3.523 . 5.074 3.219 3.102 3.339 . 0 0 "[ . 1 . 2]" 2
1191 1 52 ASP HB2 1 55 VAL H 3.949 . 5.899 4.606 4.479 4.798 . 0 0 "[ . 1 . 2]" 2
1192 1 53 SER HA 1 55 VAL H 3.442 . 4.923 4.235 3.746 4.650 . 0 0 "[ . 1 . 2]" 2
1193 1 54 LYS HA 1 55 VAL H 3.159 . 4.406 3.522 3.416 3.567 . 0 0 "[ . 1 . 2]" 2
1194 1 54 LYS HB2 1 55 VAL H 3.160 . 4.408 2.732 2.479 3.213 . 0 0 "[ . 1 . 2]" 2
1195 1 55 VAL H 1 55 VAL HA 2.798 . 3.777 2.921 2.895 2.948 . 0 0 "[ . 1 . 2]" 2
1196 1 55 VAL H 1 55 VAL HB 2.587 . 3.423 2.755 2.583 2.988 . 0 0 "[ . 1 . 2]" 2
1197 1 55 VAL H 1 55 VAL MG1 2.585 . 3.420 2.074 1.966 2.164 . 0 0 "[ . 1 . 2]" 2
1198 1 55 VAL H 1 56 THR MG 3.612 . 5.243 3.817 3.590 4.022 . 0 0 "[ . 1 . 2]" 2
1199 1 52 ASP HB3 1 56 THR H 4.066 . 6.133 3.846 3.675 4.062 . 0 0 "[ . 1 . 2]" 2
1200 1 55 VAL HA 1 56 THR H 2.699 . 3.609 3.502 3.475 3.546 . 0 0 "[ . 1 . 2]" 2
1201 1 55 VAL HB 1 56 THR H 2.973 . 4.078 4.060 3.980 4.111 0.033 17 0 "[ . 1 . 2]" 2
1202 1 55 VAL MG1 1 56 THR H 3.074 . 4.256 2.375 2.228 2.462 . 0 0 "[ . 1 . 2]" 2
1203 1 55 VAL H 1 56 THR H 2.431 . 3.170 2.258 2.007 2.444 . 0 0 "[ . 1 . 2]" 2
1204 1 56 THR H 1 56 THR HA 2.825 . 3.823 2.928 2.894 2.946 . 0 0 "[ . 1 . 2]" 2
1205 1 56 THR H 1 56 THR MG 2.720 . 3.645 2.400 2.288 2.538 . 0 0 "[ . 1 . 2]" 2
1206 1 56 THR H 1 57 ASN H 3.290 . 4.643 4.399 4.348 4.448 . 0 0 "[ . 1 . 2]" 2
1207 1 57 ASN HA 1 57 ASN HD22 4.089 . 6.179 4.661 3.999 5.194 . 0 0 "[ . 1 . 2]" 2
1208 1 57 ASN HD22 1 60 GLU HB2 4.149 . 6.301 5.715 3.288 6.858 0.557 7 1 "[ . + 1 . 2]" 2
1209 1 57 ASN HD22 1 60 GLU QG 3.828 . 5.659 4.207 1.904 5.228 0.093 15 0 "[ . 1 . 2]" 2
1210 1 57 ASN HA 1 57 ASN HD21 4.231 . 6.469 4.241 2.949 4.515 . 0 0 "[ . 1 . 2]" 2
1211 1 57 ASN QB 1 57 ASN HD21 3.118 . 4.334 2.162 2.136 2.213 . 0 0 "[ . 1 . 2]" 2
1212 1 57 ASN HD21 1 60 GLU HB2 3.987 . 5.974 4.453 2.784 5.859 . 0 0 "[ . 1 . 2]" 2
1213 1 57 ASN HD21 1 60 GLU QG 3.739 . 5.487 3.035 2.282 4.850 . 0 0 "[ . 1 . 2]" 2
1214 1 51 ILE MD 1 57 ASN H 3.841 . 5.685 4.021 3.650 4.528 . 0 0 "[ . 1 . 2]" 2
1215 1 56 THR HA 1 57 ASN H 2.786 . 3.756 2.504 2.344 2.626 . 0 0 "[ . 1 . 2]" 2
1216 1 56 THR HB 1 57 ASN H 3.503 . 5.037 3.712 3.483 3.979 . 0 0 "[ . 1 . 2]" 2
1217 1 56 THR MG 1 57 ASN H 3.050 . 4.213 3.033 2.716 3.572 . 0 0 "[ . 1 . 2]" 2
1218 1 57 ASN H 1 57 ASN HA 2.941 . 4.022 2.943 2.925 2.954 . 0 0 "[ . 1 . 2]" 2
1219 1 57 ASN H 1 57 ASN QB 3.266 . 4.599 2.597 2.412 2.722 . 0 0 "[ . 1 . 2]" 2
1220 1 57 ASN H 1 60 GLU HB2 3.033 . 4.183 3.098 2.504 4.654 0.471 8 0 "[ . 1 . 2]" 2
1221 1 57 ASN H 1 60 GLU H 3.597 . 5.214 4.169 3.879 4.468 . 0 0 "[ . 1 . 2]" 2
1222 1 51 ILE MD 1 58 ARG H 3.603 . 5.226 2.709 2.509 2.932 . 0 0 "[ . 1 . 2]" 2
1223 1 51 ILE HG12 1 58 ARG H 3.931 . 5.862 5.186 4.454 5.592 . 0 0 "[ . 1 . 2]" 2
1224 1 51 ILE MG 1 58 ARG H 3.702 . 6.000 4.883 4.354 5.395 . 0 0 "[ . 1 . 2]" 2
1225 1 57 ASN HA 1 58 ARG H 2.707 . 3.623 2.324 2.220 2.416 . 0 0 "[ . 1 . 2]" 2
1226 1 57 ASN QB 1 58 ARG H 2.906 . 3.962 3.050 2.359 3.628 . 0 0 "[ . 1 . 2]" 2
1227 1 58 ARG H 1 58 ARG HB2 2.841 . 3.850 2.654 2.567 2.803 . 0 0 "[ . 1 . 2]" 2
1228 1 58 ARG H 1 58 ARG HB3 2.880 . 3.917 2.429 2.313 2.535 . 0 0 "[ . 1 . 2]" 2
1229 1 58 ARG H 1 58 ARG HG3 3.597 . 5.214 4.503 4.466 4.556 . 0 0 "[ . 1 . 2]" 2
1230 1 58 ARG H 1 58 ARG HG2 3.624 . 5.266 4.385 4.283 4.469 . 0 0 "[ . 1 . 2]" 2
1231 1 57 ASN HA 1 59 PHE H 3.429 . 4.898 4.667 4.549 4.762 . 0 0 "[ . 1 . 2]" 2
1232 1 57 ASN QB 1 59 PHE H 3.076 . 4.259 3.569 2.988 4.084 . 0 0 "[ . 1 . 2]" 2
1233 1 57 ASN HD21 1 59 PHE H 3.669 . 5.352 4.723 3.707 5.510 0.158 16 0 "[ . 1 . 2]" 2
1234 1 58 ARG HA 1 59 PHE H 3.010 . 4.142 3.594 3.576 3.608 . 0 0 "[ . 1 . 2]" 2
1235 1 58 ARG HB2 1 59 PHE H 3.026 . 4.171 3.961 3.872 4.046 . 0 0 "[ . 1 . 2]" 2
1236 1 58 ARG HB3 1 59 PHE H 2.712 . 3.631 2.584 2.453 2.691 . 0 0 "[ . 1 . 2]" 2
1237 1 58 ARG HG3 1 59 PHE H 3.321 . 4.699 4.276 3.918 4.503 . 0 0 "[ . 1 . 2]" 2
1238 1 58 ARG HG2 1 59 PHE H 3.437 . 4.913 3.098 2.782 3.331 . 0 0 "[ . 1 . 2]" 2
1239 1 58 ARG H 1 59 PHE H 2.832 . 3.835 3.096 3.029 3.160 . 0 0 "[ . 1 . 2]" 2
1240 1 59 PHE H 1 59 PHE HA 2.557 . 3.375 2.841 2.804 2.885 . 0 0 "[ . 1 . 2]" 2
1241 1 59 PHE H 1 59 PHE HB3 2.203 . 2.810 2.792 2.705 2.870 0.060 2 0 "[ . 1 . 2]" 2
1242 1 59 PHE H 1 59 PHE HD1 3.131 . 6.000 4.857 4.768 4.950 . 0 0 "[ . 1 . 2]" 2
1243 1 60 GLU H 1 60 GLU HA 2.691 . 3.596 2.818 2.784 2.843 . 0 0 "[ . 1 . 2]" 2
1244 1 60 GLU H 1 60 GLU HB2 2.509 . 3.296 2.656 2.359 3.602 0.306 9 0 "[ . 1 . 2]" 2
1245 1 60 GLU H 1 60 GLU QG 2.775 . 3.738 2.154 1.976 2.440 . 0 0 "[ . 1 . 2]" 2
1246 1 60 GLU H 1 61 VAL H 2.639 . 3.510 2.709 2.608 2.792 . 0 0 "[ . 1 . 2]" 2
1247 1 57 ASN H 1 61 VAL H 3.643 . 5.302 3.529 3.228 4.132 . 0 0 "[ . 1 . 2]" 2
1248 1 59 PHE HA 1 61 VAL H 4.099 . 6.200 4.735 4.537 4.863 . 0 0 "[ . 1 . 2]" 2
1249 1 60 GLU HA 1 61 VAL H 3.208 . 4.494 3.547 3.524 3.567 . 0 0 "[ . 1 . 2]" 2
1250 1 60 GLU HB2 1 61 VAL H 2.785 . 3.755 2.573 2.257 3.717 . 0 0 "[ . 1 . 2]" 2
1251 1 61 VAL H 1 61 VAL HA 2.549 . 3.361 2.841 2.830 2.858 . 0 0 "[ . 1 . 2]" 2
1252 1 61 VAL H 1 61 VAL HB 2.339 . 3.023 2.529 2.493 2.573 . 0 0 "[ . 1 . 2]" 2
1253 1 61 VAL H 1 61 VAL MG1 2.491 . 3.267 2.052 1.987 2.176 . 0 0 "[ . 1 . 2]" 2
1254 1 61 VAL H 1 61 VAL MG2 2.988 . 6.000 3.756 3.734 3.770 . 0 0 "[ . 1 . 2]" 2
1255 1 61 VAL H 1 63 GLN H 3.559 . 5.142 4.135 4.007 4.288 . 0 0 "[ . 1 . 2]" 2
1256 1 59 PHE HA 1 62 GLU H 3.278 . 4.622 3.664 3.380 3.824 . 0 0 "[ . 1 . 2]" 2
1257 1 60 GLU H 1 62 GLU H 3.148 . 4.387 3.951 3.826 4.040 . 0 0 "[ . 1 . 2]" 2
1258 1 61 VAL MG1 1 62 GLU H 3.383 . 4.814 2.107 1.975 2.195 . 0 0 "[ . 1 . 2]" 2
1259 1 61 VAL MG2 1 62 GLU H 2.910 . 3.969 3.717 3.690 3.730 . 0 0 "[ . 1 . 2]" 2
1260 1 61 VAL H 1 62 GLU H 2.595 . 3.436 2.546 2.450 2.599 . 0 0 "[ . 1 . 2]" 2
1261 1 62 GLU H 1 62 GLU HA 2.503 . 3.286 2.781 2.769 2.794 . 0 0 "[ . 1 . 2]" 2
1262 1 62 GLU H 1 62 GLU HB3 2.385 . 3.096 2.734 2.452 2.909 . 0 0 "[ . 1 . 2]" 2
1263 1 62 GLU H 1 62 GLU HB2 2.336 . 3.018 2.231 2.078 2.479 . 0 0 "[ . 1 . 2]" 2
1264 1 62 GLU H 1 62 GLU QG 2.747 . 6.000 3.863 3.715 3.981 . 0 0 "[ . 1 . 2]" 2
1265 1 62 GLU HA 1 63 GLN H 2.927 . 3.998 3.544 3.531 3.556 . 0 0 "[ . 1 . 2]" 2
1266 1 62 GLU QG 1 63 GLN H 3.366 . 4.783 4.229 3.730 4.336 . 0 0 "[ . 1 . 2]" 2
1267 1 62 GLU H 1 63 GLN H 2.567 . 3.391 2.775 2.718 2.824 . 0 0 "[ . 1 . 2]" 2
1268 1 63 GLN H 1 63 GLN HA 2.330 . 3.009 2.782 2.767 2.813 . 0 0 "[ . 1 . 2]" 2
1269 1 63 GLN H 1 63 GLN HB3 2.115 . 2.674 2.569 2.481 2.743 0.069 5 0 "[ . 1 . 2]" 2
1270 1 63 GLN H 1 63 GLN QG 2.270 . 6.000 3.964 3.928 4.027 . 0 0 "[ . 1 . 2]" 2
1271 1 61 VAL HA 1 64 ALA H 2.706 . 3.621 3.176 3.084 3.254 . 0 0 "[ . 1 . 2]" 2
1272 1 62 GLU H 1 64 ALA H 3.586 . 5.193 4.190 4.080 4.311 . 0 0 "[ . 1 . 2]" 2
1273 1 63 GLN HA 1 64 ALA H 2.904 . 3.958 3.550 3.535 3.563 . 0 0 "[ . 1 . 2]" 2
1274 1 63 GLN HB3 1 64 ALA H 2.418 . 3.149 2.485 2.353 2.670 . 0 0 "[ . 1 . 2]" 2
1275 1 63 GLN QG 1 64 ALA H 3.002 . 4.128 3.561 3.350 3.835 . 0 0 "[ . 1 . 2]" 2
1276 1 63 GLN H 1 64 ALA H 2.438 . 3.181 2.781 2.655 2.841 . 0 0 "[ . 1 . 2]" 2
1277 1 64 ALA H 1 64 ALA HA 2.484 . 3.256 2.824 2.800 2.839 . 0 0 "[ . 1 . 2]" 2
1278 1 64 ALA H 1 64 ALA MB 2.108 . 2.663 2.238 2.232 2.246 . 0 0 "[ . 1 . 2]" 2
1279 1 64 ALA H 1 65 ILE H 2.571 . 3.397 2.662 2.611 2.735 . 0 0 "[ . 1 . 2]" 2
1280 1 62 GLU HA 1 65 ILE H 3.059 . 4.228 3.290 3.219 3.391 . 0 0 "[ . 1 . 2]" 2
1281 1 64 ALA HA 1 65 ILE H 3.416 . 4.874 3.537 3.524 3.551 . 0 0 "[ . 1 . 2]" 2
1282 1 64 ALA MB 1 65 ILE H 2.752 . 3.699 2.601 2.525 2.693 . 0 0 "[ . 1 . 2]" 2
1283 1 65 ILE H 1 65 ILE HA 2.841 . 3.850 2.806 2.791 2.825 . 0 0 "[ . 1 . 2]" 2
1284 1 65 ILE H 1 65 ILE HB 2.449 . 3.199 2.230 2.207 2.254 . 0 0 "[ . 1 . 2]" 2
1285 1 65 ILE H 1 65 ILE MD 3.009 . 4.141 2.606 2.542 2.679 . 0 0 "[ . 1 . 2]" 2
1286 1 65 ILE H 1 65 ILE HG12 2.953 . 6.000 4.299 4.264 4.330 . 0 0 "[ . 1 . 2]" 2
1287 1 65 ILE H 1 65 ILE HG13 2.656 . 3.538 3.375 3.309 3.439 . 0 0 "[ . 1 . 2]" 2
1288 1 65 ILE H 1 65 ILE MG 2.957 . 4.050 3.626 3.607 3.639 . 0 0 "[ . 1 . 2]" 2
1289 1 62 GLU HA 1 66 ARG H 3.575 . 5.173 4.028 3.866 4.313 . 0 0 "[ . 1 . 2]" 2
1290 1 64 ALA HA 1 66 ARG H 3.884 . 5.770 4.594 4.351 4.696 . 0 0 "[ . 1 . 2]" 2
1291 1 65 ILE HA 1 66 ARG H 3.314 . 4.686 3.585 3.545 3.607 . 0 0 "[ . 1 . 2]" 2
1292 1 65 ILE MD 1 66 ARG H 3.365 . 6.000 4.433 4.343 4.514 . 0 0 "[ . 1 . 2]" 2
1293 1 65 ILE HG12 1 66 ARG H 3.871 . 5.744 5.192 5.143 5.236 . 0 0 "[ . 1 . 2]" 2
1294 1 65 ILE MG 1 66 ARG H 2.959 . 4.053 2.672 2.572 2.797 . 0 0 "[ . 1 . 2]" 2
1295 1 65 ILE H 1 66 ARG H 2.716 . 3.638 2.800 2.689 2.868 . 0 0 "[ . 1 . 2]" 2
1296 1 66 ARG H 1 66 ARG HA 2.521 . 3.315 2.814 2.776 2.838 . 0 0 "[ . 1 . 2]" 2
1297 1 66 ARG H 1 66 ARG HB2 2.321 . 6.000 3.463 2.535 3.639 . 0 0 "[ . 1 . 2]" 2
1298 1 66 ARG H 1 66 ARG QD 3.774 . 5.555 3.740 3.197 4.442 . 0 0 "[ . 1 . 2]" 2
1299 1 66 ARG H 1 66 ARG HG3 3.208 . 6.000 2.325 1.822 4.603 . 0 0 "[ . 1 . 2]" 2
1300 1 66 ARG HB2 1 67 GLN H 2.597 . 3.440 3.661 3.543 3.959 0.519 13 1 "[ . 1 + . 2]" 2
1301 1 67 GLN H 1 67 GLN HA 2.471 . 3.234 2.815 2.795 2.829 . 0 0 "[ . 1 . 2]" 2
1302 1 67 GLN H 1 67 GLN HB2 2.231 . 2.853 2.421 2.349 2.482 . 0 0 "[ . 1 . 2]" 2
1303 1 67 GLN H 1 67 GLN QG 2.862 . 3.886 2.239 2.064 2.385 . 0 0 "[ . 1 . 2]" 2
1304 1 65 ILE HA 1 68 ALA H 2.963 . 4.060 3.395 3.238 3.565 . 0 0 "[ . 1 . 2]" 2
1305 1 66 ARG HA 1 68 ALA H 3.471 . 4.977 4.108 3.916 4.256 . 0 0 "[ . 1 . 2]" 2
1306 1 67 GLN HB2 1 68 ALA H 2.589 . 3.427 2.788 2.624 2.889 . 0 0 "[ . 1 . 2]" 2
1307 1 67 GLN QG 1 68 ALA H 3.771 . 5.549 4.155 4.042 4.231 . 0 0 "[ . 1 . 2]" 2
1308 1 67 GLN H 1 68 ALA H 2.342 . 3.028 2.658 2.612 2.735 . 0 0 "[ . 1 . 2]" 2
1309 1 68 ALA H 1 68 ALA HA 2.478 . 3.246 2.836 2.802 2.855 . 0 0 "[ . 1 . 2]" 2
1310 1 68 ALA H 1 68 ALA MB 2.117 . 2.677 2.205 2.176 2.229 . 0 0 "[ . 1 . 2]" 2
1311 1 68 ALA MB 1 69 LEU H 2.442 . 3.188 2.856 2.595 2.914 . 0 0 "[ . 1 . 2]" 2
1312 1 69 LEU H 1 69 LEU HA 2.526 . 3.324 2.910 2.869 2.931 . 0 0 "[ . 1 . 2]" 2
1313 1 69 LEU H 1 69 LEU HB2 2.203 . 2.810 2.408 2.345 2.467 . 0 0 "[ . 1 . 2]" 2
1314 1 69 LEU H 1 69 LEU QD 2.823 . 3.819 3.102 2.285 3.304 . 0 0 "[ . 1 . 2]" 2
1315 1 69 LEU HB2 1 70 GLU H 2.852 . 3.868 2.814 2.544 3.158 . 0 0 "[ . 1 . 2]" 2
1316 1 69 LEU HB3 1 70 GLU H 3.093 . 4.289 3.762 3.556 3.942 . 0 0 "[ . 1 . 2]" 2
1317 1 69 LEU QD 1 70 GLU H 3.481 . 4.996 4.065 3.726 4.209 . 0 0 "[ . 1 . 2]" 2
1318 1 70 GLU H 1 70 GLU HA 2.378 . 3.085 2.881 2.807 2.915 . 0 0 "[ . 1 . 2]" 2
1319 1 70 GLU H 1 70 GLU HB2 2.300 . 2.962 2.399 2.193 2.625 . 0 0 "[ . 1 . 2]" 2
1320 1 70 GLU H 1 70 GLU HG3 3.258 . 4.585 3.974 3.673 4.465 . 0 0 "[ . 1 . 2]" 2
1321 1 70 GLU H 1 70 GLU HG2 3.084 . 4.273 3.064 2.431 4.611 0.338 14 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 22
_Distance_constraint_stats_list.Viol_count 205
_Distance_constraint_stats_list.Viol_total 184.291
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0342
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0209
_Distance_constraint_stats_list.Viol_average_violations_only 0.0449
_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 9 SER 1.082 0.116 19 0 "[ . 1 . 2]"
1 11 LEU 0.392 0.054 6 0 "[ . 1 . 2]"
1 13 ILE 0.548 0.072 12 0 "[ . 1 . 2]"
1 15 ILE 0.766 0.161 7 0 "[ . 1 . 2]"
1 23 GLU 0.242 0.066 3 0 "[ . 1 . 2]"
1 24 ALA 1.352 0.110 19 0 "[ . 1 . 2]"
1 25 LEU 0.169 0.033 17 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.242 0.066 3 0 "[ . 1 . 2]"
1 28 ARG 1.352 0.110 19 0 "[ . 1 . 2]"
1 29 LEU 0.169 0.033 17 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.803 0.102 5 0 "[ . 1 . 2]"
1 41 ALA 0.175 0.056 3 0 "[ . 1 . 2]"
1 45 HIS 0.766 0.161 7 0 "[ . 1 . 2]"
1 46 SER 0.175 0.056 3 0 "[ . 1 . 2]"
1 47 ALA 0.548 0.072 12 0 "[ . 1 . 2]"
1 48 TYR 0.803 0.102 5 0 "[ . 1 . 2]"
1 49 VAL 0.392 0.054 6 0 "[ . 1 . 2]"
1 51 ILE 1.082 0.116 19 0 "[ . 1 . 2]"
1 58 ARG 0.136 0.047 19 0 "[ . 1 . 2]"
1 59 PHE 0.001 0.001 18 0 "[ . 1 . 2]"
1 60 GLU 2.082 0.195 10 0 "[ . 1 . 2]"
1 61 VAL 0.005 0.005 12 0 "[ . 1 . 2]"
1 62 GLU 0.240 0.047 19 0 "[ . 1 . 2]"
1 63 GLN 0.375 0.078 10 0 "[ . 1 . 2]"
1 64 ALA 3.065 0.195 10 0 "[ . 1 . 2]"
1 65 ILE 0.005 0.005 12 0 "[ . 1 . 2]"
1 66 ARG 0.104 0.030 4 0 "[ . 1 . 2]"
1 67 GLN 0.374 0.078 10 0 "[ . 1 . 2]"
1 68 ALA 0.983 0.143 10 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 58 ARG O 1 62 GLU H 2.200 . 2.200 1.833 1.753 1.956 0.047 19 0 "[ . 1 . 2]" 3
2 1 59 PHE O 1 63 GLN H 2.200 . 2.200 1.996 1.823 2.201 0.001 18 0 "[ . 1 . 2]" 3
3 1 60 GLU O 1 64 ALA H 2.200 . 2.200 2.304 2.238 2.395 0.195 10 0 "[ . 1 . 2]" 3
4 1 61 VAL O 1 65 ILE H 2.200 . 2.200 1.853 1.795 1.919 0.005 12 0 "[ . 1 . 2]" 3
5 1 62 GLU O 1 66 ARG H 2.200 . 2.200 1.869 1.770 2.082 0.030 4 0 "[ . 1 . 2]" 3
6 1 63 GLN O 1 67 GLN H 2.200 . 2.200 2.177 2.022 2.278 0.078 10 0 "[ . 1 . 2]" 3
7 1 64 ALA O 1 68 ALA H 2.200 . 2.200 2.240 2.057 2.343 0.143 10 0 "[ . 1 . 2]" 3
8 1 23 GLU O 1 27 VAL H 2.200 . 2.200 1.799 1.734 1.871 0.066 3 0 "[ . 1 . 2]" 3
9 1 24 ALA O 1 28 ARG H 2.200 . 2.200 2.268 2.239 2.310 0.110 19 0 "[ . 1 . 2]" 3
10 1 25 LEU O 1 29 LEU H 2.200 . 2.200 2.194 2.084 2.233 0.033 17 0 "[ . 1 . 2]" 3
11 1 26 LYS O 1 30 LEU H 2.200 . 2.200 1.855 1.803 1.913 . 0 0 "[ . 1 . 2]" 3
12 1 9 SER H 1 51 ILE O 2.200 . 2.200 2.245 2.070 2.316 0.116 19 0 "[ . 1 . 2]" 3
13 1 11 LEU H 1 49 VAL O 2.200 . 2.200 1.790 1.746 1.848 0.054 6 0 "[ . 1 . 2]" 3
14 1 13 ILE H 1 47 ALA O 2.200 . 2.200 1.776 1.728 1.862 0.072 12 0 "[ . 1 . 2]" 3
15 1 15 ILE H 1 45 HIS O 2.200 . 2.200 2.227 2.081 2.361 0.161 7 0 "[ . 1 . 2]" 3
16 1 11 LEU O 1 49 VAL H 2.200 . 2.200 1.902 1.792 2.214 0.014 14 0 "[ . 1 . 2]" 3
17 1 13 ILE O 1 47 ALA H 2.200 . 2.200 1.935 1.834 2.097 . 0 0 "[ . 1 . 2]" 3
18 1 9 SER O 1 51 ILE H 2.200 . 2.200 1.977 1.787 2.099 0.013 3 0 "[ . 1 . 2]" 3
19 1 39 LEU H 1 48 TYR O 2.200 . 2.200 1.825 1.771 1.914 0.029 3 0 "[ . 1 . 2]" 3
20 1 39 LEU O 1 48 TYR H 2.200 . 2.200 1.805 1.698 1.937 0.102 5 0 "[ . 1 . 2]" 3
21 1 41 ALA H 1 46 SER O 2.200 . 2.200 1.819 1.744 1.996 0.056 3 0 "[ . 1 . 2]" 3
22 1 41 ALA O 1 46 SER H 2.200 . 2.200 2.008 1.863 2.209 0.009 2 0 "[ . 1 . 2]" 3
stop_
save_
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