NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376978 |
1fyj   |
4634 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fyj
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 675
_Distance_constraint_stats_list.Viol_count 1186
_Distance_constraint_stats_list.Viol_total 2407.090
_Distance_constraint_stats_list.Viol_max 0.435
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.1015
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 0.632 0.168 14 0 "[ . 1 . 2]"
1 3 LEU 4.470 0.252 10 0 "[ . 1 . 2]"
1 4 VAL 5.262 0.312 6 0 "[ . 1 . 2]"
1 5 LEU 2.041 0.312 6 0 "[ . 1 . 2]"
1 6 TYR 2.240 0.153 5 0 "[ . 1 . 2]"
1 7 ASN 2.337 0.154 2 0 "[ . 1 . 2]"
1 8 ARG 0.489 0.082 1 0 "[ . 1 . 2]"
1 9 VAL 7.280 0.240 9 0 "[ . 1 . 2]"
1 10 ALA 0.855 0.069 3 0 "[ . 1 . 2]"
1 11 VAL 3.706 0.320 4 0 "[ . 1 . 2]"
1 12 GLN 0.759 0.194 9 0 "[ . 1 . 2]"
1 13 GLY 0.042 0.034 4 0 "[ . 1 . 2]"
1 14 ASP 1.899 0.237 3 0 "[ . 1 . 2]"
1 15 VAL 0.227 0.054 12 0 "[ . 1 . 2]"
1 16 VAL 2.841 0.362 14 0 "[ . 1 . 2]"
1 17 ARG 0.913 0.237 3 0 "[ . 1 . 2]"
1 18 GLU 4.906 0.305 13 0 "[ . 1 . 2]"
1 19 LEU 9.117 0.310 15 0 "[ . 1 . 2]"
1 20 LYS 17.459 0.422 18 0 "[ . 1 . 2]"
1 21 ALA 0.710 0.048 10 0 "[ . 1 . 2]"
1 22 LYS 6.892 0.422 18 0 "[ . 1 . 2]"
1 23 LYS 9.741 0.430 13 0 "[ . 1 . 2]"
1 24 ALA 8.362 0.430 13 0 "[ . 1 . 2]"
1 25 PRO 2.280 0.294 11 0 "[ . 1 . 2]"
1 26 LYS 2.286 0.186 5 0 "[ . 1 . 2]"
1 27 GLU 2.823 0.294 11 0 "[ . 1 . 2]"
1 28 ASP 4.455 0.228 20 0 "[ . 1 . 2]"
1 29 VAL 0.961 0.203 5 0 "[ . 1 . 2]"
1 30 ASP 1.291 0.203 5 0 "[ . 1 . 2]"
1 31 ALA 4.407 0.184 10 0 "[ . 1 . 2]"
1 32 ALA 5.988 0.258 5 0 "[ . 1 . 2]"
1 33 VAL 12.596 0.378 6 0 "[ . 1 . 2]"
1 34 LYS 9.524 0.283 5 0 "[ . 1 . 2]"
1 35 GLN 5.583 0.258 5 0 "[ . 1 . 2]"
1 36 LEU 9.557 0.378 6 0 "[ . 1 . 2]"
1 37 LEU 8.870 0.309 10 0 "[ . 1 . 2]"
1 38 SER 2.662 0.119 1 0 "[ . 1 . 2]"
1 39 LEU 7.817 0.253 17 0 "[ . 1 . 2]"
1 40 LYS 6.243 0.352 5 0 "[ . 1 . 2]"
1 41 ALA 1.752 0.352 5 0 "[ . 1 . 2]"
1 42 GLU 3.430 0.208 20 0 "[ . 1 . 2]"
1 43 TYR 2.273 0.236 16 0 "[ . 1 . 2]"
1 44 LYS 0.483 0.228 7 0 "[ . 1 . 2]"
1 45 GLU 0.898 0.087 3 0 "[ . 1 . 2]"
1 46 LYS 0.664 0.051 9 0 "[ . 1 . 2]"
1 47 THR 0.361 0.116 9 0 "[ . 1 . 2]"
1 48 GLY 0.297 0.164 7 0 "[ . 1 . 2]"
1 49 GLN 2.309 0.400 9 0 "[ . 1 . 2]"
1 50 GLU 5.833 0.435 7 0 "[ . 1 . 2]"
1 51 TYR 1.033 0.195 3 0 "[ . 1 . 2]"
1 52 LYS 0.011 0.011 12 0 "[ . 1 . 2]"
1 53 PRO 3.880 0.360 13 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASN 1.677 0.360 13 0 "[ . 1 . 2]"
1 56 PRO 0.224 0.195 3 0 "[ . 1 . 2]"
1 57 PRO 2.848 0.160 3 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 1 ASP H1 1 1 ASP HA 4.000 . 5.000 2.676 2.346 2.976 . 0 0 "[ . 1 . 2]" 1
2 1 1 ASP H1 1 1 ASP QB 4.000 . 6.000 2.609 2.027 3.273 . 0 0 "[ . 1 . 2]" 1
3 1 1 ASP HA 1 3 LEU QD 4.000 . 8.300 5.611 4.668 6.642 . 0 0 "[ . 1 . 2]" 1
4 1 1 ASP QB 1 2 SER H 4.000 . 6.000 3.416 2.096 4.081 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 2 SER HB2 4.000 . 5.000 2.662 2.173 3.541 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 2 SER HB3 4.000 . 5.000 3.088 2.311 3.542 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER H 1 3 LEU H 3.000 . 3.500 2.873 2.604 3.668 0.168 14 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 3 LEU H 4.000 . 5.000 3.344 2.622 3.583 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 43 TYR QE 4.000 . 7.200 5.555 3.732 7.132 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HB3 1 3 LEU H 4.000 . 5.000 3.816 2.391 4.424 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 3 LEU HA 3.000 . 3.500 2.856 2.837 2.874 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 3 LEU HB2 3.000 . 3.500 2.296 2.078 2.451 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU HB3 3.000 . 3.500 2.591 2.433 2.863 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU H 1 4 VAL H 3.000 . 3.500 2.752 2.601 2.950 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU HB3 3.000 . 3.500 3.025 2.987 3.041 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU QD 4.000 . 8.300 2.290 1.854 3.030 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 6 TYR H 4.000 . 5.000 3.548 3.315 3.851 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 6 TYR QB 3.000 . 4.500 2.673 2.177 3.027 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HB2 1 3 LEU MD1 3.000 . 5.000 2.338 2.065 3.210 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HB2 1 3 LEU MD2 3.000 . 5.000 2.614 2.235 3.149 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HB2 1 4 VAL H 3.000 . 3.500 3.659 3.546 3.752 0.252 10 0 "[ . 1 . 2]" 1
22 1 3 LEU HB3 1 3 LEU MD1 3.000 . 5.000 2.913 2.283 3.196 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU HB3 1 3 LEU MD2 2.500 . 4.200 2.351 2.015 3.204 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU HB3 1 4 VAL H 4.000 . 5.000 2.411 2.169 2.709 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU HB3 1 57 PRO QD 4.000 . 6.000 5.993 5.699 6.160 0.160 3 0 "[ . 1 . 2]" 1
26 1 3 LEU QD 1 6 TYR QD 4.000 . 10.500 4.000 2.288 5.236 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU QD 1 57 PRO QD 4.000 . 9.300 2.768 2.179 4.306 . 0 0 "[ . 1 . 2]" 1
28 1 4 VAL H 1 4 VAL HA 3.000 . 3.500 2.842 2.825 2.862 . 0 0 "[ . 1 . 2]" 1
29 1 4 VAL H 1 4 VAL HB 3.000 . 3.500 2.475 2.194 3.560 0.060 9 0 "[ . 1 . 2]" 1
30 1 4 VAL H 1 4 VAL MG1 3.000 . 5.000 3.014 1.977 3.727 . 0 0 "[ . 1 . 2]" 1
31 1 4 VAL HA 1 5 LEU H 4.000 . 5.000 3.572 3.526 3.601 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL HB 1 5 LEU H 3.000 . 3.500 3.026 2.337 3.812 0.312 6 0 "[ . 1 . 2]" 1
33 1 4 VAL MG1 1 5 LEU H 3.000 . 5.000 2.832 1.844 3.863 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL MG1 1 7 ASN HB2 4.000 . 6.500 4.308 3.414 5.160 . 0 0 "[ . 1 . 2]" 1
35 1 4 VAL MG1 1 8 ARG H 4.000 . 6.500 4.846 4.151 6.176 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU H 1 5 LEU QB 3.000 . 4.500 2.199 1.958 2.330 . 0 0 "[ . 1 . 2]" 1
37 1 5 LEU H 1 6 TYR H 4.000 . 5.000 2.736 2.636 2.848 . 0 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 5 LEU QD 3.000 . 6.800 2.110 1.800 3.057 0.000 15 0 "[ . 1 . 2]" 1
39 1 5 LEU HA 1 8 ARG H 4.000 . 5.000 3.528 3.377 3.759 . 0 0 "[ . 1 . 2]" 1
40 1 5 LEU HA 1 8 ARG HB2 4.000 . 5.000 3.241 3.000 3.536 . 0 0 "[ . 1 . 2]" 1
41 1 5 LEU HA 1 43 TYR QD 4.000 . 7.200 6.152 4.510 7.268 0.068 16 0 "[ . 1 . 2]" 1
42 1 5 LEU QB 1 6 TYR H 4.000 . 6.000 2.511 2.350 2.698 . 0 0 "[ . 1 . 2]" 1
43 1 5 LEU QB 1 43 TYR QD 3.000 . 6.700 4.273 2.591 5.532 . 0 0 "[ . 1 . 2]" 1
44 1 5 LEU QD 1 8 ARG QD 4.000 . 9.300 3.924 2.276 5.831 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QD 1 42 GLU QG 4.000 . 9.300 5.826 4.672 7.076 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU QD 1 43 TYR HA 3.000 . 6.800 4.685 3.196 6.219 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU QD 1 43 TYR HB2 4.000 . 8.300 5.180 3.518 7.160 . 0 0 "[ . 1 . 2]" 1
48 1 5 LEU QD 1 43 TYR HB3 4.000 . 8.300 5.989 4.720 7.181 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QD 1 43 TYR QD 4.000 . 10.500 3.842 2.112 5.381 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 43 TYR QE 4.000 . 10.500 3.266 1.855 6.152 . 0 0 "[ . 1 . 2]" 1
51 1 6 TYR H 1 6 TYR QB 3.000 . 4.500 2.084 1.970 2.224 . 0 0 "[ . 1 . 2]" 1
52 1 6 TYR H 1 6 TYR QD 5.000 2.500 8.200 3.265 2.383 4.148 0.117 2 0 "[ . 1 . 2]" 1
53 1 6 TYR H 1 6 TYR QE 5.000 2.500 8.200 5.363 4.431 6.185 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR H 1 7 ASN H 3.000 . 3.500 2.755 2.693 2.812 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR HA 1 6 TYR QD 3.000 . 5.700 2.729 2.007 3.040 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HA 1 6 TYR QE 4.000 . 7.200 4.393 4.176 4.628 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR HA 1 7 ASN H 4.000 . 5.000 3.563 3.548 3.573 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR HA 1 9 VAL H 4.000 . 5.000 3.746 3.597 4.129 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR HA 1 9 VAL HB 4.000 . 5.000 4.957 4.386 5.106 0.106 20 0 "[ . 1 . 2]" 1
60 1 6 TYR HA 1 9 VAL MG1 4.000 . 6.500 3.391 2.112 3.781 . 0 0 "[ . 1 . 2]" 1
61 1 6 TYR HA 1 43 TYR QD 4.000 . 7.200 5.140 3.530 6.366 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR HA 1 43 TYR QE 3.000 . 5.700 3.935 2.006 5.700 0.000 14 0 "[ . 1 . 2]" 1
63 1 6 TYR HA 1 51 TYR QD 4.000 . 7.200 4.595 3.294 6.720 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR HA 1 51 TYR QE 4.000 . 7.200 5.508 3.644 6.969 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR QB 1 7 ASN H 3.000 . 4.500 2.538 2.287 2.694 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR QB 1 43 TYR QD 4.000 . 8.200 6.347 4.997 7.575 . 0 0 "[ . 1 . 2]" 1
67 1 6 TYR QB 1 43 TYR QE 3.000 . 6.700 4.822 3.245 6.104 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR QD 1 7 ASN H 4.000 . 7.200 4.137 3.269 4.596 . 0 0 "[ . 1 . 2]" 1
69 1 6 TYR QD 1 7 ASN HA 4.000 . 7.200 4.678 2.932 5.850 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR QD 1 7 ASN HB3 4.000 . 7.200 6.568 4.997 7.330 0.130 16 0 "[ . 1 . 2]" 1
71 1 6 TYR QD 1 10 ALA MB 4.000 . 8.700 3.662 2.431 4.787 . 0 0 "[ . 1 . 2]" 1
72 1 6 TYR QD 1 43 TYR QE 4.000 . 9.400 4.010 2.136 5.507 . 0 0 "[ . 1 . 2]" 1
73 1 6 TYR QD 1 51 TYR QD 4.000 . 9.400 4.057 2.415 5.582 . 0 0 "[ . 1 . 2]" 1
74 1 6 TYR QD 1 51 TYR QE 4.000 . 9.400 4.763 1.956 6.666 . 0 0 "[ . 1 . 2]" 1
75 1 6 TYR QD 1 56 PRO QG 4.000 . 8.200 4.438 2.707 5.927 . 0 0 "[ . 1 . 2]" 1
76 1 6 TYR QD 1 57 PRO HA 4.000 . 7.200 6.089 2.290 7.264 0.064 20 0 "[ . 1 . 2]" 1
77 1 6 TYR QD 1 57 PRO HD2 4.000 . 7.200 4.319 3.245 6.329 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR QD 1 57 PRO HD3 3.000 . 5.700 4.135 2.272 5.376 . 0 0 "[ . 1 . 2]" 1
79 1 6 TYR QE 1 10 ALA MB 4.000 . 8.700 4.699 2.530 6.623 . 0 0 "[ . 1 . 2]" 1
80 1 6 TYR QE 1 51 TYR HA 4.000 . 7.200 3.702 1.955 5.526 . 0 0 "[ . 1 . 2]" 1
81 1 6 TYR QE 1 51 TYR QD 4.000 . 9.400 3.994 2.987 4.798 . 0 0 "[ . 1 . 2]" 1
82 1 6 TYR QE 1 51 TYR QE 4.000 . 9.400 4.760 2.457 6.461 . 0 0 "[ . 1 . 2]" 1
83 1 6 TYR QE 1 53 PRO HA 4.000 . 7.200 6.164 4.267 7.234 0.034 5 0 "[ . 1 . 2]" 1
84 1 6 TYR QE 1 55 ASN H 4.000 . 7.200 4.994 3.453 7.207 0.007 15 0 "[ . 1 . 2]" 1
85 1 6 TYR QE 1 56 PRO QG 4.000 . 8.200 4.868 2.288 6.943 . 0 0 "[ . 1 . 2]" 1
86 1 6 TYR QE 1 57 PRO HD2 4.000 . 7.200 4.987 3.514 6.117 . 0 0 "[ . 1 . 2]" 1
87 1 6 TYR QE 1 57 PRO HD3 3.000 . 5.700 4.447 2.231 5.853 0.153 5 0 "[ . 1 . 2]" 1
88 1 7 ASN H 1 7 ASN HB2 3.000 . 3.500 2.334 2.253 2.485 . 0 0 "[ . 1 . 2]" 1
89 1 7 ASN H 1 7 ASN HB3 4.000 . 5.000 3.531 3.513 3.546 . 0 0 "[ . 1 . 2]" 1
90 1 7 ASN H 1 8 ARG H 3.000 . 3.500 2.768 2.727 2.827 . 0 0 "[ . 1 . 2]" 1
91 1 7 ASN HA 1 7 ASN HB3 3.000 . 3.500 2.539 2.474 2.576 . 0 0 "[ . 1 . 2]" 1
92 1 7 ASN HA 1 8 ARG H 4.000 . 5.000 3.573 3.553 3.591 . 0 0 "[ . 1 . 2]" 1
93 1 7 ASN HA 1 10 ALA H 4.000 . 5.000 3.610 3.486 3.836 . 0 0 "[ . 1 . 2]" 1
94 1 7 ASN HA 1 10 ALA MB 3.000 . 5.000 2.246 1.998 2.753 . 0 0 "[ . 1 . 2]" 1
95 1 7 ASN HB2 1 8 ARG H 4.000 . 5.000 2.582 2.456 2.654 . 0 0 "[ . 1 . 2]" 1
96 1 7 ASN HB2 1 11 VAL MG1 4.000 . 6.500 6.213 4.050 6.654 0.154 2 0 "[ . 1 . 2]" 1
97 1 7 ASN HB3 1 8 ARG H 4.000 . 5.000 3.537 3.441 3.608 . 0 0 "[ . 1 . 2]" 1
98 1 7 ASN HB3 1 11 VAL MG1 4.000 . 6.500 5.171 2.810 5.917 . 0 0 "[ . 1 . 2]" 1
99 1 8 ARG H 1 8 ARG HB2 3.000 . 3.500 2.355 2.312 2.435 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG H 1 8 ARG HB3 3.000 . 3.500 3.123 2.459 3.542 0.042 3 0 "[ . 1 . 2]" 1
101 1 8 ARG H 1 8 ARG QD 4.000 . 6.000 3.894 3.463 4.564 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG H 1 8 ARG QG 4.000 . 6.000 2.839 1.960 4.014 . 0 0 "[ . 1 . 2]" 1
103 1 8 ARG H 1 9 VAL H 3.000 . 3.500 2.898 2.867 2.971 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG H 1 9 VAL MG1 5.000 2.500 7.500 4.287 3.779 4.499 . 0 0 "[ . 1 . 2]" 1
105 1 8 ARG H 1 9 VAL MG2 4.000 . 6.500 4.172 3.776 6.130 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG HA 1 8 ARG HB2 3.000 . 3.500 2.815 2.470 3.037 . 0 0 "[ . 1 . 2]" 1
107 1 8 ARG HA 1 8 ARG QD 4.000 . 6.000 3.146 1.912 4.185 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG HA 1 8 ARG QG 3.000 . 4.500 2.510 2.260 2.867 . 0 0 "[ . 1 . 2]" 1
109 1 8 ARG HA 1 9 VAL H 4.000 . 5.000 3.605 3.584 3.623 . 0 0 "[ . 1 . 2]" 1
110 1 8 ARG HA 1 9 VAL MG2 4.000 . 6.500 5.146 4.920 6.159 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG HA 1 11 VAL H 4.000 . 5.000 3.748 3.597 4.017 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG HA 1 11 VAL MG1 4.000 . 6.500 4.053 3.451 4.529 . 0 0 "[ . 1 . 2]" 1
113 1 8 ARG HA 1 39 LEU MD1 4.000 . 6.500 4.436 3.544 5.266 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG HA 1 39 LEU MD2 4.000 . 6.500 4.983 4.475 5.651 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG QB 1 9 VAL H 4.000 . 6.000 2.322 2.186 2.442 . 0 0 "[ . 1 . 2]" 1
116 1 8 ARG HB3 1 11 VAL MG1 4.000 . 6.500 6.013 5.620 6.582 0.082 1 0 "[ . 1 . 2]" 1
117 1 9 VAL H 1 9 VAL HA 3.000 . 3.500 2.886 2.868 2.897 . 0 0 "[ . 1 . 2]" 1
118 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 3.412 2.512 3.580 0.080 5 0 "[ . 1 . 2]" 1
119 1 9 VAL H 1 9 VAL MG1 3.000 . 5.000 2.133 1.879 2.343 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL H 1 9 VAL MG2 4.000 . 6.500 2.201 1.887 3.740 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL H 1 10 ALA H 3.000 . 3.500 2.590 2.485 2.741 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL HA 1 9 VAL MG1 3.000 . 5.000 2.464 2.196 3.226 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL HA 1 9 VAL MG2 3.000 . 5.000 3.105 2.315 3.238 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL HA 1 10 ALA H 3.000 . 3.500 3.543 3.518 3.569 0.069 3 0 "[ . 1 . 2]" 1
125 1 9 VAL HA 1 12 GLN H 4.000 . 5.000 3.774 3.603 4.084 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL HA 1 36 LEU QD 4.000 . 8.300 3.485 2.582 4.580 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL HA 1 39 LEU HA 4.000 . 5.000 5.099 4.865 5.240 0.240 9 0 "[ . 1 . 2]" 1
128 1 9 VAL HA 1 39 LEU HB3 4.000 . 5.000 2.779 2.446 2.970 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL HA 1 39 LEU MD2 3.000 . 5.000 3.545 2.948 4.085 . 0 0 "[ . 1 . 2]" 1
130 1 9 VAL HB 1 36 LEU QD 4.000 . 8.300 3.664 2.788 5.189 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL HB 1 51 TYR QD 4.000 . 7.200 3.356 2.262 4.598 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL HB 1 51 TYR QE 4.000 . 7.200 3.951 2.302 5.179 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL MG1 1 36 LEU HA 4.000 . 6.000 5.321 4.587 6.106 0.106 8 0 "[ . 1 . 2]" 1
134 1 9 VAL MG1 1 36 LEU QB 4.000 . 7.500 6.132 5.325 6.804 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL MG1 1 36 LEU QD 4.000 . 9.300 4.059 3.290 5.335 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL MG1 1 39 LEU HA 4.000 . 6.500 3.788 3.216 5.790 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL MG1 1 39 LEU HB2 3.000 . 5.000 3.231 2.447 4.664 . 0 0 "[ . 1 . 2]" 1
138 1 9 VAL MG1 1 39 LEU HB3 3.000 . 5.000 2.209 1.810 4.044 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL MG1 1 40 LYS HA 4.000 . 6.500 3.728 2.940 4.804 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL MG1 1 40 LYS QB 4.000 . 7.000 4.600 3.645 5.377 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL MG1 1 40 LYS QG 4.000 . 7.500 4.728 3.287 5.713 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL MG1 1 43 TYR H 4.000 . 6.500 4.726 3.947 5.949 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL MG1 1 43 TYR HA 4.000 . 6.000 5.666 4.673 6.140 0.140 12 0 "[ . 1 . 2]" 1
144 1 9 VAL MG1 1 43 TYR HB2 4.000 . 6.500 3.877 3.233 4.733 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL MG1 1 43 TYR HB3 4.000 . 6.500 4.911 4.264 5.619 . 0 0 "[ . 1 . 2]" 1
146 1 9 VAL MG1 1 43 TYR QD 4.000 . 8.700 3.156 2.064 4.517 . 0 0 "[ . 1 . 2]" 1
147 1 9 VAL MG1 1 43 TYR QE 4.000 . 8.700 3.715 1.911 5.462 . 0 0 "[ . 1 . 2]" 1
148 1 9 VAL MG1 1 51 TYR QB 4.000 . 7.500 3.593 2.078 4.630 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG1 1 51 TYR QD 4.000 . 8.700 3.435 1.970 4.115 . 0 0 "[ . 1 . 2]" 1
150 1 9 VAL MG1 1 51 TYR QE 4.000 . 8.700 4.238 2.275 5.394 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL MG2 1 10 ALA H 4.000 . 6.500 2.157 1.898 3.526 . 0 0 "[ . 1 . 2]" 1
152 1 9 VAL MG2 1 10 ALA HA 4.000 . 6.500 3.305 3.096 3.702 . 0 0 "[ . 1 . 2]" 1
153 1 9 VAL MG2 1 36 LEU QB 4.000 . 7.500 6.385 3.037 7.502 0.002 13 0 "[ . 1 . 2]" 1
154 1 9 VAL MG2 1 36 LEU MD1 4.000 . 8.000 4.666 2.508 6.770 . 0 0 "[ . 1 . 2]" 1
155 1 9 VAL MG2 1 36 LEU MD2 3.000 . 6.500 5.186 1.936 6.520 0.020 5 0 "[ . 1 . 2]" 1
156 1 9 VAL MG2 1 39 LEU HB2 4.000 . 6.500 4.634 2.404 5.288 . 0 0 "[ . 1 . 2]" 1
157 1 9 VAL MG2 1 40 LYS QG 4.000 . 7.500 5.293 3.442 7.060 . 0 0 "[ . 1 . 2]" 1
158 1 9 VAL MG2 1 43 TYR QD 4.000 . 8.700 4.163 3.138 5.291 . 0 0 "[ . 1 . 2]" 1
159 1 9 VAL MG2 1 51 TYR QB 4.000 . 7.500 2.697 2.072 3.806 . 0 0 "[ . 1 . 2]" 1
160 1 9 VAL MG2 1 51 TYR QD 4.000 . 8.700 2.265 1.815 3.302 . 0 0 "[ . 1 . 2]" 1
161 1 9 VAL MG2 1 51 TYR QE 4.000 . 8.700 3.009 2.242 3.905 . 0 0 "[ . 1 . 2]" 1
162 1 9 VAL MG2 1 52 LYS QB 4.000 . 7.000 5.748 4.115 7.011 0.011 12 0 "[ . 1 . 2]" 1
163 1 9 VAL MG2 1 53 PRO QB 4.000 . 7.500 7.585 7.259 7.727 0.227 9 0 "[ . 1 . 2]" 1
164 1 10 ALA H 1 10 ALA HA 3.000 . 3.500 2.851 2.837 2.868 . 0 0 "[ . 1 . 2]" 1
165 1 10 ALA H 1 10 ALA MB 2.500 . 4.200 2.101 1.955 2.159 . 0 0 "[ . 1 . 2]" 1
166 1 10 ALA H 1 11 VAL H 3.000 . 3.500 2.780 2.692 2.943 . 0 0 "[ . 1 . 2]" 1
167 1 10 ALA MB 1 11 VAL H 3.000 . 5.000 2.470 2.279 2.682 . 0 0 "[ . 1 . 2]" 1
168 1 11 VAL H 1 11 VAL HA 3.000 . 3.500 2.843 2.830 2.851 . 0 0 "[ . 1 . 2]" 1
169 1 11 VAL H 1 11 VAL HB 3.000 . 3.500 2.496 2.247 3.565 0.065 14 0 "[ . 1 . 2]" 1
170 1 11 VAL H 1 11 VAL MG1 3.000 . 5.000 3.447 1.950 3.715 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL H 1 11 VAL MG2 3.000 . 5.000 2.177 1.927 2.360 . 0 0 "[ . 1 . 2]" 1
172 1 11 VAL H 1 12 GLN H 3.000 . 3.500 2.901 2.838 2.982 . 0 0 "[ . 1 . 2]" 1
173 1 11 VAL HA 1 11 VAL MG1 3.000 . 5.000 2.450 2.362 2.558 . 0 0 "[ . 1 . 2]" 1
174 1 11 VAL HA 1 11 VAL MG2 3.000 . 5.000 2.437 2.239 3.214 . 0 0 "[ . 1 . 2]" 1
175 1 11 VAL HA 1 12 GLN H 4.000 . 5.000 3.612 3.589 3.630 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL HA 1 14 ASP H 4.000 . 5.000 3.977 3.744 4.146 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL HA 1 14 ASP HB2 3.000 . 3.500 3.367 3.008 3.501 0.001 6 0 "[ . 1 . 2]" 1
178 1 11 VAL HA 1 14 ASP HB3 4.000 . 5.000 4.942 4.484 5.085 0.085 9 0 "[ . 1 . 2]" 1
179 1 11 VAL HB 1 12 GLN H 3.000 . 3.500 2.642 2.397 3.615 0.115 10 0 "[ . 1 . 2]" 1
180 1 11 VAL MG1 1 12 GLN H 4.000 . 6.500 3.206 2.897 3.884 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL MG1 1 14 ASP HB3 4.000 . 6.500 5.721 5.310 6.441 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL MG1 1 36 LEU QB 4.000 . 7.500 7.270 6.331 7.820 0.320 4 0 "[ . 1 . 2]" 1
183 1 11 VAL MG2 1 12 GLN H 4.000 . 6.500 3.611 1.863 3.969 . 0 0 "[ . 1 . 2]" 1
184 1 12 GLN H 1 12 GLN HA 3.000 . 3.500 2.864 2.851 2.872 . 0 0 "[ . 1 . 2]" 1
185 1 12 GLN H 1 12 GLN QB 3.000 . 4.500 2.200 1.985 2.343 . 0 0 "[ . 1 . 2]" 1
186 1 12 GLN H 1 13 GLY H 3.000 . 3.500 2.810 2.693 2.881 . 0 0 "[ . 1 . 2]" 1
187 1 12 GLN H 1 36 LEU QD 4.000 . 8.300 4.278 3.445 5.515 . 0 0 "[ . 1 . 2]" 1
188 1 12 GLN HA 1 12 GLN QG 3.000 . 4.500 2.623 1.995 2.935 . 0 0 "[ . 1 . 2]" 1
189 1 12 GLN HA 1 15 VAL H 3.000 . 3.500 3.344 3.206 3.526 0.026 8 0 "[ . 1 . 2]" 1
190 1 12 GLN HA 1 15 VAL HB 2.500 . 2.700 2.586 2.346 2.751 0.051 20 0 "[ . 1 . 2]" 1
191 1 12 GLN HA 1 15 VAL MG1 3.000 . 5.000 3.703 2.771 3.935 . 0 0 "[ . 1 . 2]" 1
192 1 12 GLN HA 1 16 VAL H 4.000 . 5.000 4.388 4.096 4.678 . 0 0 "[ . 1 . 2]" 1
193 1 12 GLN HA 1 36 LEU QB 4.000 . 6.000 5.011 4.221 6.194 0.194 9 0 "[ . 1 . 2]" 1
194 1 12 GLN QB 1 13 GLY QA 4.000 . 7.000 3.645 3.556 3.744 . 0 0 "[ . 1 . 2]" 1
195 1 13 GLY H 1 14 ASP H 3.000 . 3.500 3.117 2.908 3.211 . 0 0 "[ . 1 . 2]" 1
196 1 13 GLY QA 1 14 ASP H 3.000 . 4.500 2.549 2.492 2.648 . 0 0 "[ . 1 . 2]" 1
197 1 13 GLY QA 1 16 VAL HB 4.000 . 6.000 3.364 3.113 3.480 . 0 0 "[ . 1 . 2]" 1
198 1 13 GLY QA 1 33 VAL MG2 3.000 . 6.000 4.821 4.376 5.300 . 0 0 "[ . 1 . 2]" 1
199 1 13 GLY QA 1 36 LEU QD 4.000 . 9.300 2.054 1.766 2.733 0.034 4 0 "[ . 1 . 2]" 1
200 1 14 ASP H 1 14 ASP HA 3.000 . 3.500 2.861 2.849 2.878 . 0 0 "[ . 1 . 2]" 1
201 1 14 ASP H 1 14 ASP HB2 4.000 . 5.000 2.278 2.235 2.305 . 0 0 "[ . 1 . 2]" 1
202 1 14 ASP H 1 14 ASP HB3 3.000 . 3.500 3.515 3.506 3.523 0.023 8 0 "[ . 1 . 2]" 1
203 1 14 ASP H 1 15 VAL H 3.000 . 3.500 2.730 2.664 2.774 . 0 0 "[ . 1 . 2]" 1
204 1 14 ASP H 1 16 VAL MG1 4.000 . 6.500 6.473 6.314 6.545 0.045 5 0 "[ . 1 . 2]" 1
205 1 14 ASP HA 1 14 ASP HB2 3.000 . 3.500 3.029 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
206 1 14 ASP HA 1 14 ASP HB3 3.000 . 3.500 2.555 2.543 2.583 . 0 0 "[ . 1 . 2]" 1
207 1 14 ASP HA 1 15 VAL H 4.000 . 5.000 3.571 3.558 3.582 . 0 0 "[ . 1 . 2]" 1
208 1 14 ASP HA 1 17 ARG H 3.000 . 3.500 3.461 3.320 3.549 0.049 5 0 "[ . 1 . 2]" 1
209 1 14 ASP HA 1 17 ARG HB2 3.000 . 3.500 3.363 2.228 3.570 0.070 11 0 "[ . 1 . 2]" 1
210 1 14 ASP HA 1 17 ARG HB3 3.000 . 3.500 2.931 2.740 3.737 0.237 3 0 "[ . 1 . 2]" 1
211 1 15 VAL H 1 15 VAL HA 3.000 . 3.500 2.849 2.843 2.855 . 0 0 "[ . 1 . 2]" 1
212 1 15 VAL H 1 15 VAL HB 3.000 . 3.500 2.381 2.058 2.470 . 0 0 "[ . 1 . 2]" 1
213 1 15 VAL H 1 15 VAL MG1 3.000 . 5.000 3.676 2.858 3.724 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL H 1 15 VAL MG2 3.000 . 5.000 2.126 1.962 3.519 . 0 0 "[ . 1 . 2]" 1
215 1 15 VAL HA 1 15 VAL MG1 3.000 . 5.000 2.445 2.336 3.177 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL HA 1 15 VAL MG2 3.000 . 5.000 2.346 2.154 2.401 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL HA 1 16 VAL H 4.000 . 5.000 3.576 3.557 3.599 . 0 0 "[ . 1 . 2]" 1
218 1 15 VAL HA 1 17 ARG H 4.000 . 5.000 4.601 4.444 4.666 . 0 0 "[ . 1 . 2]" 1
219 1 15 VAL HA 1 18 GLU H 4.000 . 5.000 3.430 3.301 3.588 . 0 0 "[ . 1 . 2]" 1
220 1 15 VAL HA 1 18 GLU HB2 4.000 . 5.000 2.786 2.329 3.327 . 0 0 "[ . 1 . 2]" 1
221 1 15 VAL HA 1 18 GLU HB3 4.000 . 5.000 3.324 2.353 4.319 . 0 0 "[ . 1 . 2]" 1
222 1 15 VAL HA 1 19 LEU H 4.000 . 5.000 4.065 3.757 4.594 . 0 0 "[ . 1 . 2]" 1
223 1 15 VAL HB 1 16 VAL H 3.000 . 3.500 2.618 2.491 3.554 0.054 12 0 "[ . 1 . 2]" 1
224 1 15 VAL MG2 1 19 LEU MD1 3.000 . 6.500 4.562 3.134 6.344 . 0 0 "[ . 1 . 2]" 1
225 1 16 VAL H 1 16 VAL HA 3.000 . 3.500 2.865 2.857 2.877 . 0 0 "[ . 1 . 2]" 1
226 1 16 VAL H 1 16 VAL HB 3.000 . 3.500 2.316 2.285 2.376 . 0 0 "[ . 1 . 2]" 1
227 1 16 VAL H 1 16 VAL MG1 2.500 . 4.200 3.707 3.693 3.731 . 0 0 "[ . 1 . 2]" 1
228 1 16 VAL H 1 16 VAL MG2 3.000 . 5.000 2.149 1.996 2.350 . 0 0 "[ . 1 . 2]" 1
229 1 16 VAL H 1 17 ARG H 3.000 . 3.500 2.756 2.645 2.809 . 0 0 "[ . 1 . 2]" 1
230 1 16 VAL HA 1 16 VAL MG1 3.000 . 5.000 2.478 2.413 2.532 . 0 0 "[ . 1 . 2]" 1
231 1 16 VAL HA 1 16 VAL MG2 3.000 . 5.000 2.312 2.158 2.372 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL HA 1 17 ARG H 4.000 . 5.000 3.577 3.549 3.597 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL HA 1 18 GLU H 4.000 . 5.000 4.551 4.446 4.691 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL HA 1 19 LEU HB2 4.000 . 5.000 3.044 2.837 3.286 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL HA 1 19 LEU HB3 4.000 . 5.000 4.549 4.363 4.840 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL HA 1 19 LEU MD1 4.000 . 6.500 2.529 2.004 5.320 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL HA 1 32 ALA MB 4.000 . 6.500 2.587 2.307 2.979 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL HA 1 33 VAL HB 4.000 . 5.000 5.043 4.854 5.362 0.362 14 0 "[ . 1 . 2]" 1
239 1 16 VAL HB 1 17 ARG H 3.000 . 3.500 2.393 2.291 2.497 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL MG1 1 17 ARG H 4.000 . 6.500 3.125 3.010 3.219 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL MG1 1 32 ALA MB 3.000 . 6.500 3.200 2.615 3.598 . 0 0 "[ . 1 . 2]" 1
242 1 16 VAL MG1 1 33 VAL HA 3.000 . 5.000 3.395 2.330 4.109 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL MG2 1 17 ARG H 4.000 . 6.500 3.829 3.745 3.878 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL MG2 1 20 LYS H 4.000 . 6.500 5.996 5.721 6.221 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL MG2 1 20 LYS QE 4.000 . 7.500 6.906 5.392 7.633 0.133 2 0 "[ . 1 . 2]" 1
246 1 16 VAL MG2 1 28 ASP HB3 4.000 . 6.500 6.503 6.295 6.595 0.095 19 0 "[ . 1 . 2]" 1
247 1 16 VAL MG2 1 32 ALA MB 3.000 . 6.500 1.818 1.737 1.931 0.063 5 0 "[ . 1 . 2]" 1
248 1 17 ARG H 1 17 ARG HB2 3.000 . 3.500 2.372 2.174 2.469 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG H 1 18 GLU H 3.000 . 3.500 2.751 2.656 2.802 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG HA 1 17 ARG QB 2.500 . 3.700 2.396 2.367 2.473 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG HA 1 17 ARG QG 3.000 . 4.500 2.423 2.167 2.920 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG HA 1 18 GLU H 4.000 . 5.000 3.569 3.545 3.585 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG HA 1 20 LYS QB 3.000 . 4.500 2.971 2.683 3.229 . 0 0 "[ . 1 . 2]" 1
254 1 17 ARG QB 1 20 LYS QB 3.000 . 5.500 4.680 4.271 4.944 . 0 0 "[ . 1 . 2]" 1
255 1 17 ARG HB3 1 18 GLU H 3.000 . 3.500 2.559 2.374 3.508 0.008 19 0 "[ . 1 . 2]" 1
256 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.848 2.834 2.860 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLU H 1 18 GLU HB2 2.500 . 2.700 2.296 2.241 2.385 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLU H 1 18 GLU HB3 3.000 . 3.500 3.047 2.479 3.532 0.032 13 0 "[ . 1 . 2]" 1
259 1 18 GLU HA 1 18 GLU HB2 2.500 . 2.700 2.763 2.484 3.005 0.305 13 0 "[ . 1 . 2]" 1
260 1 18 GLU HA 1 18 GLU HB3 3.000 . 3.500 2.788 2.518 3.035 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLU HA 1 19 LEU H 4.000 . 5.000 3.566 3.544 3.585 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLU HB2 1 19 LEU H 3.000 . 3.500 3.121 2.514 3.695 0.195 5 0 "[ . 1 . 2]" 1
263 1 18 GLU HB3 1 19 LEU MD2 4.000 . 6.500 4.316 3.182 5.925 . 0 0 "[ . 1 . 2]" 1
264 1 19 LEU H 1 19 LEU HA 3.000 . 3.500 2.845 2.838 2.857 . 0 0 "[ . 1 . 2]" 1
265 1 19 LEU H 1 19 LEU HB2 4.000 . 5.000 2.287 2.062 2.342 . 0 0 "[ . 1 . 2]" 1
266 1 19 LEU H 1 19 LEU HB3 3.000 . 3.500 3.523 3.439 3.539 0.039 15 0 "[ . 1 . 2]" 1
267 1 19 LEU H 1 19 LEU MD1 4.000 . 6.500 3.306 1.965 3.896 . 0 0 "[ . 1 . 2]" 1
268 1 19 LEU H 1 19 LEU MD2 4.000 . 6.500 3.438 1.968 3.976 . 0 0 "[ . 1 . 2]" 1
269 1 19 LEU H 1 20 LYS H 3.000 . 3.500 2.759 2.723 2.814 . 0 0 "[ . 1 . 2]" 1
270 1 19 LEU HA 1 19 LEU HB2 2.500 . 2.700 3.002 2.959 3.010 0.310 15 0 "[ . 1 . 2]" 1
271 1 19 LEU HA 1 19 LEU HB3 3.000 . 3.500 2.550 2.515 2.689 . 0 0 "[ . 1 . 2]" 1
272 1 19 LEU HA 1 19 LEU MD1 3.000 . 5.000 3.667 1.980 3.809 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU HA 1 19 LEU MD2 4.000 . 6.500 2.124 1.931 3.490 . 0 0 "[ . 1 . 2]" 1
274 1 19 LEU HA 1 22 LYS H 4.000 . 5.000 3.408 3.229 3.531 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU HA 1 22 LYS QD 3.000 . 4.500 2.656 2.000 4.629 0.129 10 0 "[ . 1 . 2]" 1
276 1 19 LEU HA 1 22 LYS QG 3.000 . 4.500 3.124 1.923 3.778 . 0 0 "[ . 1 . 2]" 1
277 1 19 LEU HA 1 24 ALA MB 4.000 . 6.500 3.047 2.555 3.465 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HB2 1 19 LEU MD1 3.000 . 5.000 2.288 2.086 3.179 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU HB2 1 19 LEU MD2 3.000 . 5.000 3.111 2.402 3.191 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HB2 1 24 ALA MB 3.000 . 5.000 3.879 3.447 4.375 . 0 0 "[ . 1 . 2]" 1
281 1 19 LEU HB3 1 19 LEU MD2 3.000 . 5.000 2.270 2.150 3.220 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU HB3 1 20 LYS H 4.000 . 5.000 3.456 3.183 3.543 . 0 0 "[ . 1 . 2]" 1
283 1 19 LEU HB3 1 29 VAL HA 4.000 . 5.000 3.905 3.689 4.070 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU HB3 1 29 VAL MG1 3.000 . 5.000 4.914 4.567 5.131 0.131 11 0 "[ . 1 . 2]" 1
285 1 19 LEU MD1 1 20 LYS QE 4.000 . 7.500 6.737 5.246 7.625 0.125 4 0 "[ . 1 . 2]" 1
286 1 19 LEU MD1 1 22 LYS QD 4.000 . 7.500 4.988 2.704 6.903 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU MD1 1 28 ASP HB2 4.000 . 6.500 3.845 3.317 5.687 . 0 0 "[ . 1 . 2]" 1
288 1 19 LEU MD1 1 29 VAL HA 3.000 . 5.000 3.089 2.395 5.026 0.026 3 0 "[ . 1 . 2]" 1
289 1 19 LEU MD1 1 32 ALA MB 3.000 . 6.500 2.347 1.869 4.426 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU MD2 1 22 LYS QG 4.000 . 7.500 4.119 3.101 5.637 . 0 0 "[ . 1 . 2]" 1
291 1 19 LEU MD2 1 24 ALA MB 3.000 . 6.500 2.768 2.180 4.329 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU MD2 1 28 ASP HB3 4.000 . 6.500 2.500 1.879 4.409 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU MD2 1 32 ALA H 4.000 . 6.500 5.791 4.555 6.352 . 0 0 "[ . 1 . 2]" 1
294 1 20 LYS H 1 20 LYS HA 2.500 . 2.700 2.861 2.843 2.881 0.181 20 0 "[ . 1 . 2]" 1
295 1 20 LYS H 1 20 LYS HB2 3.000 . 3.500 2.215 1.982 2.351 . 0 0 "[ . 1 . 2]" 1
296 1 20 LYS H 1 20 LYS HB3 3.000 . 3.500 2.997 2.663 3.534 0.034 10 0 "[ . 1 . 2]" 1
297 1 20 LYS H 1 20 LYS QG 4.000 . 6.000 3.463 2.128 4.020 . 0 0 "[ . 1 . 2]" 1
298 1 20 LYS H 1 21 ALA H 3.000 . 3.500 2.588 2.470 2.696 . 0 0 "[ . 1 . 2]" 1
299 1 20 LYS H 1 22 LYS H 3.000 . 3.500 3.838 3.758 3.922 0.422 18 0 "[ . 1 . 2]" 1
300 1 20 LYS HA 1 20 LYS HB2 3.000 . 3.500 2.760 2.589 3.038 . 0 0 "[ . 1 . 2]" 1
301 1 20 LYS HA 1 20 LYS HB3 3.000 . 3.500 2.864 2.533 3.024 . 0 0 "[ . 1 . 2]" 1
302 1 20 LYS HA 1 20 LYS QD 4.000 . 6.000 2.096 1.920 4.015 . 0 0 "[ . 1 . 2]" 1
303 1 20 LYS HA 1 20 LYS QG 3.000 . 4.500 2.617 2.318 2.869 . 0 0 "[ . 1 . 2]" 1
304 1 20 LYS HA 1 21 ALA H 3.000 . 3.500 3.536 3.522 3.548 0.048 10 0 "[ . 1 . 2]" 1
305 1 20 LYS HA 1 23 LYS H 3.000 . 3.500 3.605 3.554 3.640 0.140 16 0 "[ . 1 . 2]" 1
306 1 20 LYS HA 1 24 ALA H 3.000 . 3.500 3.498 3.244 3.609 0.109 6 0 "[ . 1 . 2]" 1
307 1 20 LYS HA 1 29 VAL MG1 3.000 . 5.000 4.666 4.054 5.044 0.044 18 0 "[ . 1 . 2]" 1
308 1 20 LYS QB 1 20 LYS QD 3.000 . 5.500 2.216 2.040 2.288 . 0 0 "[ . 1 . 2]" 1
309 1 20 LYS QD 1 28 ASP HB3 4.000 . 6.000 6.143 6.067 6.228 0.228 20 0 "[ . 1 . 2]" 1
310 1 20 LYS QE 1 26 LYS QD 4.000 . 7.000 5.740 3.118 7.102 0.102 20 0 "[ . 1 . 2]" 1
311 1 20 LYS QE 1 29 VAL HB 4.000 . 6.000 4.081 2.755 4.999 . 0 0 "[ . 1 . 2]" 1
312 1 20 LYS QE 1 29 VAL MG2 4.000 . 7.500 2.784 1.939 3.495 . 0 0 "[ . 1 . 2]" 1
313 1 20 LYS QG 1 29 VAL MG1 4.000 . 7.500 3.572 2.563 4.712 . 0 0 "[ . 1 . 2]" 1
314 1 21 ALA H 1 21 ALA HA 3.000 . 3.500 2.868 2.853 2.893 . 0 0 "[ . 1 . 2]" 1
315 1 21 ALA H 1 21 ALA MB 2.500 . 4.200 2.085 1.961 2.175 . 0 0 "[ . 1 . 2]" 1
316 1 21 ALA H 1 22 LYS H 3.000 . 3.500 2.587 2.491 2.642 . 0 0 "[ . 1 . 2]" 1
317 1 21 ALA H 1 22 LYS QG 3.000 . 4.500 4.114 3.821 4.333 . 0 0 "[ . 1 . 2]" 1
318 1 21 ALA HA 1 22 LYS H 4.000 . 5.000 3.516 3.497 3.546 . 0 0 "[ . 1 . 2]" 1
319 1 22 LYS H 1 22 LYS HA 3.000 . 3.500 2.959 2.946 2.984 . 0 0 "[ . 1 . 2]" 1
320 1 22 LYS H 1 22 LYS QB 3.000 . 4.500 2.324 2.212 2.696 . 0 0 "[ . 1 . 2]" 1
321 1 22 LYS H 1 22 LYS QD 3.000 . 4.500 3.826 3.580 4.423 . 0 0 "[ . 1 . 2]" 1
322 1 22 LYS H 1 22 LYS QG 3.000 . 4.500 2.338 1.921 2.532 . 0 0 "[ . 1 . 2]" 1
323 1 22 LYS HA 1 22 LYS QD 3.000 . 4.500 3.988 2.016 4.407 . 0 0 "[ . 1 . 2]" 1
324 1 22 LYS HA 1 22 LYS QG 3.000 . 3.500 2.533 2.248 3.334 . 0 0 "[ . 1 . 2]" 1
325 1 22 LYS HA 1 23 LYS H 3.000 . 3.500 3.238 3.094 3.290 . 0 0 "[ . 1 . 2]" 1
326 1 22 LYS QB 1 22 LYS QD 3.000 . 5.500 2.181 2.064 2.275 . 0 0 "[ . 1 . 2]" 1
327 1 22 LYS QB 1 23 LYS H 3.000 . 4.500 3.608 3.467 4.041 . 0 0 "[ . 1 . 2]" 1
328 1 22 LYS QB 1 23 LYS QE 4.000 . 7.000 6.014 4.623 7.004 0.004 4 0 "[ . 1 . 2]" 1
329 1 22 LYS QG 1 23 LYS H 4.000 . 6.000 4.208 3.331 4.454 . 0 0 "[ . 1 . 2]" 1
330 1 23 LYS H 1 23 LYS HA 2.500 . 2.700 2.351 2.343 2.359 . 0 0 "[ . 1 . 2]" 1
331 1 23 LYS H 1 23 LYS HB2 3.000 . 3.500 3.476 3.374 3.518 0.018 18 0 "[ . 1 . 2]" 1
332 1 23 LYS H 1 23 LYS QG 3.000 . 4.500 2.610 2.533 2.691 . 0 0 "[ . 1 . 2]" 1
333 1 23 LYS HA 1 23 LYS QB 2.500 . 3.700 2.384 2.368 2.413 . 0 0 "[ . 1 . 2]" 1
334 1 23 LYS HA 1 23 LYS QG 3.000 . 4.500 2.423 2.301 2.859 . 0 0 "[ . 1 . 2]" 1
335 1 23 LYS HA 1 24 ALA H 3.000 . 3.500 3.077 3.012 3.106 . 0 0 "[ . 1 . 2]" 1
336 1 23 LYS HB2 1 24 ALA H 3.000 . 3.500 3.878 3.833 3.930 0.430 13 0 "[ . 1 . 2]" 1
337 1 23 LYS QD 1 24 ALA H 4.000 . 6.000 5.638 4.644 5.971 . 0 0 "[ . 1 . 2]" 1
338 1 24 ALA H 1 24 ALA MB 3.000 . 5.000 2.086 1.959 2.167 . 0 0 "[ . 1 . 2]" 1
339 1 24 ALA HA 1 25 PRO HD2 3.000 . 3.500 2.581 2.324 2.743 . 0 0 "[ . 1 . 2]" 1
340 1 24 ALA HA 1 25 PRO HD3 3.000 . 3.500 2.385 2.255 2.466 . 0 0 "[ . 1 . 2]" 1
341 1 24 ALA MB 1 25 PRO HD2 3.000 . 5.000 2.089 1.960 2.371 . 0 0 "[ . 1 . 2]" 1
342 1 24 ALA MB 1 25 PRO HD3 4.000 . 6.500 3.241 3.034 3.521 . 0 0 "[ . 1 . 2]" 1
343 1 24 ALA MB 1 28 ASP HB2 4.000 . 6.500 2.223 2.033 2.548 . 0 0 "[ . 1 . 2]" 1
344 1 24 ALA MB 1 28 ASP HB3 4.000 . 6.500 2.747 2.422 3.052 . 0 0 "[ . 1 . 2]" 1
345 1 25 PRO HA 1 25 PRO QD 4.000 . 6.000 3.394 3.339 3.460 . 0 0 "[ . 1 . 2]" 1
346 1 25 PRO HA 1 26 LYS H 2.500 . 2.700 2.405 2.362 2.456 . 0 0 "[ . 1 . 2]" 1
347 1 25 PRO HA 1 26 LYS QB 3.000 . 4.500 4.543 4.499 4.594 0.094 10 0 "[ . 1 . 2]" 1
348 1 25 PRO QB 1 26 LYS H 4.000 . 6.000 2.680 2.496 2.894 . 0 0 "[ . 1 . 2]" 1
349 1 25 PRO QD 1 28 ASP H 2.500 . 3.700 3.640 3.409 3.769 0.069 2 0 "[ . 1 . 2]" 1
350 1 25 PRO QD 1 28 ASP HB2 4.000 . 6.000 2.899 2.545 3.226 . 0 0 "[ . 1 . 2]" 1
351 1 25 PRO QD 1 28 ASP HB3 4.000 . 6.000 4.040 3.663 4.416 . 0 0 "[ . 1 . 2]" 1
352 1 25 PRO QG 1 27 GLU HG2 4.000 . 6.000 4.927 4.035 5.455 . 0 0 "[ . 1 . 2]" 1
353 1 25 PRO QG 1 27 GLU HG3 3.000 . 4.500 4.480 4.206 4.794 0.294 11 0 "[ . 1 . 2]" 1
354 1 25 PRO QG 1 28 ASP H 4.000 . 6.000 2.635 2.368 2.828 . 0 0 "[ . 1 . 2]" 1
355 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.831 2.819 2.840 . 0 0 "[ . 1 . 2]" 1
356 1 26 LYS H 1 26 LYS HB2 3.000 . 3.500 2.343 2.306 2.419 . 0 0 "[ . 1 . 2]" 1
357 1 26 LYS H 1 26 LYS HB3 3.000 . 3.500 3.530 3.515 3.550 0.050 4 0 "[ . 1 . 2]" 1
358 1 26 LYS H 1 26 LYS QD 3.000 . 4.500 3.664 3.432 4.067 . 0 0 "[ . 1 . 2]" 1
359 1 26 LYS H 1 27 GLU H 4.000 . 5.000 2.747 2.698 2.799 . 0 0 "[ . 1 . 2]" 1
360 1 26 LYS HA 1 27 GLU H 4.000 . 5.000 3.514 3.483 3.538 . 0 0 "[ . 1 . 2]" 1
361 1 26 LYS HA 1 28 ASP HB2 4.000 . 5.000 5.011 4.891 5.091 0.091 18 0 "[ . 1 . 2]" 1
362 1 26 LYS HA 1 29 VAL H 3.000 . 3.500 3.369 3.205 3.462 . 0 0 "[ . 1 . 2]" 1
363 1 26 LYS HA 1 29 VAL HB 3.000 . 3.500 2.665 2.298 3.686 0.186 5 0 "[ . 1 . 2]" 1
364 1 26 LYS HA 1 29 VAL MG1 3.000 . 5.000 3.873 1.882 4.174 . 0 0 "[ . 1 . 2]" 1
365 1 26 LYS HA 1 30 ASP H 4.000 . 5.000 3.590 3.380 3.873 . 0 0 "[ . 1 . 2]" 1
366 1 26 LYS QB 1 26 LYS QE 4.000 . 7.000 3.308 1.931 3.646 . 0 0 "[ . 1 . 2]" 1
367 1 26 LYS QB 1 27 GLU H 3.000 . 4.500 2.768 2.600 2.875 . 0 0 "[ . 1 . 2]" 1
368 1 26 LYS QB 1 29 VAL MG1 3.000 . 6.000 4.879 3.215 5.289 . 0 0 "[ . 1 . 2]" 1
369 1 26 LYS QB 1 29 VAL MG2 3.000 . 6.000 4.847 4.329 5.482 . 0 0 "[ . 1 . 2]" 1
370 1 26 LYS QE 1 26 LYS QG 3.000 . 5.500 2.181 2.122 2.557 . 0 0 "[ . 1 . 2]" 1
371 1 26 LYS QE 1 29 VAL MG1 4.000 . 7.500 5.885 4.101 7.012 . 0 0 "[ . 1 . 2]" 1
372 1 26 LYS QG 1 27 GLU H 5.000 2.500 7.000 4.161 4.061 4.249 . 0 0 "[ . 1 . 2]" 1
373 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.840 2.821 2.852 . 0 0 "[ . 1 . 2]" 1
374 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.241 2.128 2.315 . 0 0 "[ . 1 . 2]" 1
375 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 2.769 2.051 3.979 . 0 0 "[ . 1 . 2]" 1
376 1 27 GLU H 1 28 ASP H 3.000 . 3.500 2.791 2.739 2.857 . 0 0 "[ . 1 . 2]" 1
377 1 27 GLU HA 1 27 GLU QB 2.500 . 2.700 2.408 2.369 2.435 . 0 0 "[ . 1 . 2]" 1
378 1 27 GLU HA 1 27 GLU HG3 2.500 . 2.700 2.762 2.522 2.918 0.218 8 0 "[ . 1 . 2]" 1
379 1 27 GLU HA 1 30 ASP H 5.000 2.500 6.000 3.970 3.730 4.238 . 0 0 "[ . 1 . 2]" 1
380 1 27 GLU HA 1 30 ASP HB2 3.000 . 3.500 2.918 2.595 3.251 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLU HA 1 30 ASP HB3 4.000 . 5.000 4.434 4.054 4.792 . 0 0 "[ . 1 . 2]" 1
382 1 28 ASP H 1 28 ASP HB2 4.000 . 5.000 2.152 2.111 2.255 . 0 0 "[ . 1 . 2]" 1
383 1 28 ASP H 1 28 ASP HB3 3.000 . 3.500 3.488 3.468 3.522 0.022 9 0 "[ . 1 . 2]" 1
384 1 28 ASP H 1 29 VAL H 3.000 . 3.500 2.639 2.498 2.754 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASP H 1 30 ASP H 4.000 . 5.000 4.256 4.012 4.409 . 0 0 "[ . 1 . 2]" 1
386 1 28 ASP HA 1 28 ASP HB2 3.000 . 3.500 3.012 3.002 3.028 . 0 0 "[ . 1 . 2]" 1
387 1 28 ASP HA 1 28 ASP HB3 3.000 . 3.500 2.622 2.556 2.643 . 0 0 "[ . 1 . 2]" 1
388 1 28 ASP HA 1 29 VAL H 4.000 . 5.000 3.571 3.530 3.598 . 0 0 "[ . 1 . 2]" 1
389 1 28 ASP HA 1 31 ALA H 4.000 . 5.000 3.922 3.735 4.177 . 0 0 "[ . 1 . 2]" 1
390 1 28 ASP HA 1 31 ALA MB 3.000 . 5.000 2.918 2.637 3.256 . 0 0 "[ . 1 . 2]" 1
391 1 28 ASP HB2 1 29 VAL H 4.000 . 5.000 2.556 2.495 2.606 . 0 0 "[ . 1 . 2]" 1
392 1 28 ASP HB2 1 29 VAL MG1 4.000 . 6.500 5.472 4.260 5.599 . 0 0 "[ . 1 . 2]" 1
393 1 28 ASP HB2 1 32 ALA MB 4.000 . 6.500 5.566 5.222 5.893 . 0 0 "[ . 1 . 2]" 1
394 1 28 ASP HB3 1 29 VAL H 4.000 . 5.000 3.278 3.101 3.481 . 0 0 "[ . 1 . 2]" 1
395 1 28 ASP HB3 1 29 VAL MG1 4.000 . 6.500 5.613 4.929 5.752 . 0 0 "[ . 1 . 2]" 1
396 1 29 VAL H 1 29 VAL HA 3.000 . 3.500 2.881 2.864 2.891 . 0 0 "[ . 1 . 2]" 1
397 1 29 VAL H 1 29 VAL HB 3.000 . 3.500 2.374 2.297 2.454 . 0 0 "[ . 1 . 2]" 1
398 1 29 VAL H 1 29 VAL MG1 3.000 . 5.000 3.636 2.204 3.722 . 0 0 "[ . 1 . 2]" 1
399 1 29 VAL H 1 29 VAL MG2 3.000 . 5.000 2.136 1.956 3.697 . 0 0 "[ . 1 . 2]" 1
400 1 29 VAL H 1 30 ASP H 3.000 . 3.500 2.732 2.642 2.795 . 0 0 "[ . 1 . 2]" 1
401 1 29 VAL HA 1 29 VAL MG1 3.000 . 5.000 2.461 2.277 3.218 . 0 0 "[ . 1 . 2]" 1
402 1 29 VAL HA 1 29 VAL MG2 3.000 . 5.000 2.371 2.263 2.431 . 0 0 "[ . 1 . 2]" 1
403 1 29 VAL HA 1 30 ASP H 4.000 . 5.000 3.581 3.549 3.596 . 0 0 "[ . 1 . 2]" 1
404 1 29 VAL HA 1 32 ALA H 4.000 . 5.000 3.828 3.687 4.005 . 0 0 "[ . 1 . 2]" 1
405 1 29 VAL HA 1 32 ALA MB 3.000 . 5.000 2.935 2.667 3.309 . 0 0 "[ . 1 . 2]" 1
406 1 29 VAL HB 1 30 ASP H 3.000 . 3.500 2.429 2.225 3.703 0.203 5 0 "[ . 1 . 2]" 1
407 1 29 VAL MG2 1 30 ASP H 4.000 . 6.500 3.766 3.668 3.878 . 0 0 "[ . 1 . 2]" 1
408 1 29 VAL MG2 1 30 ASP HA 4.000 . 6.500 5.379 3.960 5.480 . 0 0 "[ . 1 . 2]" 1
409 1 30 ASP H 1 30 ASP HA 3.000 . 3.500 2.843 2.838 2.847 . 0 0 "[ . 1 . 2]" 1
410 1 30 ASP H 1 30 ASP HB2 3.000 . 3.500 2.306 2.266 2.320 . 0 0 "[ . 1 . 2]" 1
411 1 30 ASP H 1 30 ASP HB3 3.000 . 3.500 3.526 3.520 3.533 0.033 10 0 "[ . 1 . 2]" 1
412 1 30 ASP H 1 31 ALA H 3.000 . 3.500 2.836 2.771 2.921 . 0 0 "[ . 1 . 2]" 1
413 1 30 ASP HA 1 30 ASP HB2 3.000 . 3.500 3.028 3.022 3.033 . 0 0 "[ . 1 . 2]" 1
414 1 30 ASP HA 1 30 ASP HB3 3.000 . 3.500 2.554 2.544 2.581 . 0 0 "[ . 1 . 2]" 1
415 1 30 ASP HA 1 31 ALA H 4.000 . 5.000 3.583 3.566 3.603 . 0 0 "[ . 1 . 2]" 1
416 1 30 ASP HA 1 33 VAL H 4.000 . 5.000 3.688 3.558 3.778 . 0 0 "[ . 1 . 2]" 1
417 1 30 ASP HA 1 33 VAL HB 3.000 . 3.500 3.436 2.245 3.604 0.104 9 0 "[ . 1 . 2]" 1
418 1 30 ASP HA 1 33 VAL MG1 4.000 . 6.500 2.018 1.895 3.216 . 0 0 "[ . 1 . 2]" 1
419 1 30 ASP HB2 1 31 ALA H 4.000 . 5.000 2.490 2.393 2.619 . 0 0 "[ . 1 . 2]" 1
420 1 30 ASP HB3 1 31 ALA H 3.000 . 3.500 3.397 3.243 3.531 0.031 14 0 "[ . 1 . 2]" 1
421 1 31 ALA H 1 31 ALA HA 3.000 . 3.500 2.853 2.845 2.862 . 0 0 "[ . 1 . 2]" 1
422 1 31 ALA H 1 31 ALA MB 2.500 . 4.200 2.108 1.989 2.168 . 0 0 "[ . 1 . 2]" 1
423 1 31 ALA H 1 32 ALA H 2.500 . 2.700 2.798 2.761 2.838 0.138 14 0 "[ . 1 . 2]" 1
424 1 31 ALA HA 1 34 LYS H 3.000 . 3.500 3.620 3.564 3.684 0.184 10 0 "[ . 1 . 2]" 1
425 1 31 ALA MB 1 32 ALA H 2.500 . 4.200 2.348 2.236 2.449 . 0 0 "[ . 1 . 2]" 1
426 1 32 ALA H 1 32 ALA HA 3.000 . 3.500 2.876 2.865 2.887 . 0 0 "[ . 1 . 2]" 1
427 1 32 ALA H 1 32 ALA MB 2.500 . 4.200 2.126 2.012 2.171 . 0 0 "[ . 1 . 2]" 1
428 1 32 ALA H 1 33 VAL H 3.000 . 3.500 2.733 2.618 2.782 . 0 0 "[ . 1 . 2]" 1
429 1 32 ALA HA 1 33 VAL H 4.000 . 5.000 3.589 3.550 3.601 . 0 0 "[ . 1 . 2]" 1
430 1 32 ALA HA 1 35 GLN H 3.000 . 3.500 3.397 3.347 3.475 . 0 0 "[ . 1 . 2]" 1
431 1 32 ALA HA 1 35 GLN HB2 2.500 . 2.700 2.890 2.790 2.958 0.258 5 0 "[ . 1 . 2]" 1
432 1 32 ALA MB 1 33 VAL HA 4.000 . 6.500 3.863 3.797 3.910 . 0 0 "[ . 1 . 2]" 1
433 1 32 ALA MB 1 34 LYS H 4.000 . 6.500 4.424 4.309 4.593 . 0 0 "[ . 1 . 2]" 1
434 1 33 VAL H 1 33 VAL HA 3.000 . 3.500 2.888 2.876 2.901 . 0 0 "[ . 1 . 2]" 1
435 1 33 VAL H 1 33 VAL HB 3.000 . 3.500 2.141 2.086 2.177 . 0 0 "[ . 1 . 2]" 1
436 1 33 VAL H 1 33 VAL MG1 3.000 . 5.000 2.735 2.621 3.645 . 0 0 "[ . 1 . 2]" 1
437 1 33 VAL H 1 33 VAL MG2 4.000 . 6.500 3.547 2.478 3.636 . 0 0 "[ . 1 . 2]" 1
438 1 33 VAL H 1 34 LYS H 3.000 . 3.500 2.605 2.542 2.710 . 0 0 "[ . 1 . 2]" 1
439 1 33 VAL HA 1 33 VAL HB 3.000 . 3.500 2.697 2.646 3.025 . 0 0 "[ . 1 . 2]" 1
440 1 33 VAL HA 1 33 VAL MG1 3.000 . 5.000 3.168 2.611 3.211 . 0 0 "[ . 1 . 2]" 1
441 1 33 VAL HA 1 33 VAL MG2 3.000 . 5.000 2.120 1.994 2.209 . 0 0 "[ . 1 . 2]" 1
442 1 33 VAL HA 1 34 LYS H 5.000 2.500 6.000 3.563 3.528 3.614 . 0 0 "[ . 1 . 2]" 1
443 1 33 VAL HA 1 36 LEU H 3.000 . 3.500 3.207 3.016 3.426 . 0 0 "[ . 1 . 2]" 1
444 1 33 VAL HA 1 36 LEU QB 3.000 . 4.500 2.274 1.867 3.382 . 0 0 "[ . 1 . 2]" 1
445 1 33 VAL HA 1 36 LEU HG 3.000 . 3.500 3.626 2.199 3.878 0.378 6 0 "[ . 1 . 2]" 1
446 1 33 VAL HB 1 34 LYS H 3.000 . 3.500 3.574 2.642 3.663 0.163 10 0 "[ . 1 . 2]" 1
447 1 33 VAL MG1 1 34 LYS H 5.000 2.500 7.500 2.293 2.217 2.985 0.283 5 0 "[ . 1 . 2]" 1
448 1 33 VAL MG2 1 34 LYS H 4.000 . 6.500 4.070 4.024 4.133 . 0 0 "[ . 1 . 2]" 1
449 1 34 LYS H 1 34 LYS HA 3.000 . 3.500 2.873 2.864 2.884 . 0 0 "[ . 1 . 2]" 1
450 1 34 LYS H 1 34 LYS QB 2.500 . 3.700 2.216 2.174 2.299 . 0 0 "[ . 1 . 2]" 1
451 1 34 LYS H 1 34 LYS QG 4.000 . 6.000 3.439 2.198 4.003 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS H 1 35 GLN H 3.000 . 3.500 2.628 2.567 2.669 . 0 0 "[ . 1 . 2]" 1
453 1 34 LYS HA 1 34 LYS QB 2.500 . 3.700 2.402 2.379 2.441 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS HA 1 34 LYS QG 3.000 . 4.500 2.495 2.328 2.867 . 0 0 "[ . 1 . 2]" 1
455 1 34 LYS HA 1 35 GLN H 4.000 . 5.000 3.543 3.517 3.561 . 0 0 "[ . 1 . 2]" 1
456 1 34 LYS HA 1 37 LEU H 3.000 . 3.500 3.474 3.392 3.560 0.060 12 0 "[ . 1 . 2]" 1
457 1 34 LYS QB 1 35 GLN H 3.000 . 4.500 2.444 2.326 2.595 . 0 0 "[ . 1 . 2]" 1
458 1 35 GLN H 1 35 GLN HA 3.000 . 3.500 2.872 2.844 2.892 . 0 0 "[ . 1 . 2]" 1
459 1 35 GLN H 1 35 GLN HB2 3.000 . 3.500 2.208 2.082 2.279 . 0 0 "[ . 1 . 2]" 1
460 1 35 GLN H 1 35 GLN HB3 3.000 . 3.500 2.696 2.614 2.867 . 0 0 "[ . 1 . 2]" 1
461 1 35 GLN H 1 36 LEU H 3.000 . 3.500 2.634 2.527 2.833 . 0 0 "[ . 1 . 2]" 1
462 1 35 GLN HA 1 35 GLN HB2 3.000 . 3.500 2.626 2.569 2.725 . 0 0 "[ . 1 . 2]" 1
463 1 35 GLN HA 1 35 GLN HB3 3.000 . 3.500 3.023 2.993 3.034 . 0 0 "[ . 1 . 2]" 1
464 1 35 GLN HA 1 36 LEU H 4.000 . 5.000 3.543 3.519 3.589 . 0 0 "[ . 1 . 2]" 1
465 1 35 GLN HA 1 38 SER H 3.000 . 3.500 3.552 3.459 3.619 0.119 1 0 "[ . 1 . 2]" 1
466 1 35 GLN HB2 1 36 LEU H 3.000 . 3.500 3.507 3.260 3.632 0.132 4 0 "[ . 1 . 2]" 1
467 1 35 GLN HB3 1 36 LEU H 4.000 . 5.000 2.362 2.166 2.501 . 0 0 "[ . 1 . 2]" 1
468 1 36 LEU H 1 36 LEU HA 3.000 . 3.500 2.848 2.827 2.856 . 0 0 "[ . 1 . 2]" 1
469 1 36 LEU H 1 36 LEU HB2 3.000 . 3.500 2.583 1.945 3.467 . 0 0 "[ . 1 . 2]" 1
470 1 36 LEU H 1 36 LEU HB3 3.000 . 3.500 2.454 1.954 3.568 0.068 4 0 "[ . 1 . 2]" 1
471 1 36 LEU H 1 36 LEU MD1 4.000 . 6.500 4.052 3.402 4.221 . 0 0 "[ . 1 . 2]" 1
472 1 36 LEU H 1 36 LEU MD2 5.000 2.500 7.500 3.902 2.776 4.154 . 0 0 "[ . 1 . 2]" 1
473 1 36 LEU H 1 37 LEU H 3.000 . 3.500 2.766 2.721 2.852 . 0 0 "[ . 1 . 2]" 1
474 1 36 LEU HA 1 36 LEU HB2 3.000 . 3.500 2.496 2.255 3.032 . 0 0 "[ . 1 . 2]" 1
475 1 36 LEU HA 1 36 LEU HB3 3.000 . 3.500 2.920 2.405 3.039 . 0 0 "[ . 1 . 2]" 1
476 1 36 LEU HA 1 36 LEU QD 3.000 . 6.800 2.199 1.934 3.226 . 0 0 "[ . 1 . 2]" 1
477 1 36 LEU HA 1 39 LEU H 3.000 . 3.500 3.366 3.200 3.480 . 0 0 "[ . 1 . 2]" 1
478 1 36 LEU QB 1 36 LEU HG 2.500 . 3.700 2.316 2.171 2.479 . 0 0 "[ . 1 . 2]" 1
479 1 36 LEU QB 1 37 LEU H 3.000 . 4.500 2.660 2.422 3.473 . 0 0 "[ . 1 . 2]" 1
480 1 36 LEU QB 1 39 LEU HG 3.000 . 4.500 4.655 4.563 4.753 0.253 17 0 "[ . 1 . 2]" 1
481 1 36 LEU QB 1 51 TYR QD 4.000 . 8.200 6.777 5.339 8.096 . 0 0 "[ . 1 . 2]" 1
482 1 36 LEU HB2 1 36 LEU MD1 3.000 . 5.000 2.526 2.064 3.197 . 0 0 "[ . 1 . 2]" 1
483 1 36 LEU HB3 1 36 LEU MD1 3.000 . 5.000 2.808 2.130 3.213 . 0 0 "[ . 1 . 2]" 1
484 1 36 LEU HB3 1 36 LEU MD2 3.000 . 5.000 2.534 2.092 3.212 . 0 0 "[ . 1 . 2]" 1
485 1 36 LEU QD 1 37 LEU H 4.000 . 8.300 3.515 2.841 4.050 . 0 0 "[ . 1 . 2]" 1
486 1 36 LEU QD 1 37 LEU HA 3.000 . 6.800 3.628 2.521 5.199 . 0 0 "[ . 1 . 2]" 1
487 1 36 LEU QD 1 39 LEU HB2 3.000 . 6.800 2.895 2.335 4.367 . 0 0 "[ . 1 . 2]" 1
488 1 36 LEU QD 1 40 LYS QB 4.000 . 9.300 3.538 2.425 5.532 . 0 0 "[ . 1 . 2]" 1
489 1 36 LEU QD 1 51 TYR QD 4.000 . 10.500 4.099 2.271 5.967 . 0 0 "[ . 1 . 2]" 1
490 1 36 LEU QD 1 51 TYR QE 4.000 . 10.500 3.690 2.038 4.929 . 0 0 "[ . 1 . 2]" 1
491 1 36 LEU HG 1 37 LEU H 4.000 . 5.000 3.673 2.019 5.002 0.002 16 0 "[ . 1 . 2]" 1
492 1 37 LEU H 1 37 LEU HA 3.000 . 3.500 2.843 2.831 2.852 . 0 0 "[ . 1 . 2]" 1
493 1 37 LEU H 1 37 LEU HB2 4.000 . 5.000 2.203 2.079 2.317 . 0 0 "[ . 1 . 2]" 1
494 1 37 LEU H 1 37 LEU HB3 3.000 . 3.500 3.503 3.452 3.535 0.035 2 0 "[ . 1 . 2]" 1
495 1 37 LEU H 1 37 LEU MD2 4.000 . 6.500 3.700 2.168 4.076 . 0 0 "[ . 1 . 2]" 1
496 1 37 LEU H 1 38 SER H 3.000 . 3.500 2.726 2.692 2.781 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HA 1 37 LEU HB2 2.500 . 2.700 2.988 2.958 3.009 0.309 10 0 "[ . 1 . 2]" 1
498 1 37 LEU HA 1 37 LEU HB3 3.000 . 3.500 2.606 2.534 2.692 . 0 0 "[ . 1 . 2]" 1
499 1 37 LEU HA 1 37 LEU MD2 3.000 . 5.000 2.321 1.923 3.666 . 0 0 "[ . 1 . 2]" 1
500 1 37 LEU HA 1 38 SER H 3.000 . 3.500 3.547 3.532 3.562 0.062 6 0 "[ . 1 . 2]" 1
501 1 37 LEU HA 1 40 LYS H 3.000 . 3.500 3.470 3.252 3.627 0.127 5 0 "[ . 1 . 2]" 1
502 1 37 LEU HA 1 40 LYS QG 3.000 . 4.500 3.854 2.086 4.633 0.133 4 0 "[ . 1 . 2]" 1
503 1 37 LEU HB2 1 37 LEU MD2 3.000 . 5.000 3.042 2.465 3.190 . 0 0 "[ . 1 . 2]" 1
504 1 37 LEU HB2 1 38 SER H 4.000 . 5.000 2.683 2.534 2.837 . 0 0 "[ . 1 . 2]" 1
505 1 37 LEU HB3 1 37 LEU HG 3.000 . 3.500 2.932 2.481 3.033 . 0 0 "[ . 1 . 2]" 1
506 1 37 LEU HB3 1 38 SER H 3.000 . 3.500 3.432 3.270 3.551 0.051 2 0 "[ . 1 . 2]" 1
507 1 37 LEU HG 1 40 LYS QG 4.000 . 6.000 5.695 4.642 6.154 0.154 19 0 "[ . 1 . 2]" 1
508 1 38 SER H 1 38 SER HA 3.000 . 3.500 2.862 2.853 2.872 . 0 0 "[ . 1 . 2]" 1
509 1 38 SER H 1 38 SER QB 2.500 . 3.700 2.237 2.156 2.410 . 0 0 "[ . 1 . 2]" 1
510 1 38 SER H 1 39 LEU H 2.500 . 2.700 2.686 2.659 2.717 0.017 20 0 "[ . 1 . 2]" 1
511 1 38 SER HA 1 39 LEU H 4.000 . 5.000 3.556 3.528 3.575 . 0 0 "[ . 1 . 2]" 1
512 1 38 SER HA 1 41 ALA H 3.000 . 3.500 3.461 3.237 3.617 0.117 9 0 "[ . 1 . 2]" 1
513 1 38 SER HA 1 41 ALA MB 2.500 . 4.200 2.261 1.981 2.811 . 0 0 "[ . 1 . 2]" 1
514 1 39 LEU H 1 39 LEU HA 3.000 . 3.500 2.872 2.850 2.890 . 0 0 "[ . 1 . 2]" 1
515 1 39 LEU H 1 39 LEU HB2 2.500 . 2.700 2.481 2.428 2.558 . 0 0 "[ . 1 . 2]" 1
516 1 39 LEU H 1 39 LEU HB3 4.000 . 5.000 3.553 3.538 3.566 . 0 0 "[ . 1 . 2]" 1
517 1 39 LEU H 1 39 LEU MD1 4.000 . 6.500 3.496 3.423 3.595 . 0 0 "[ . 1 . 2]" 1
518 1 39 LEU H 1 39 LEU MD2 4.000 . 6.500 3.053 2.795 3.182 . 0 0 "[ . 1 . 2]" 1
519 1 39 LEU H 1 39 LEU HG 2.500 . 2.700 1.958 1.904 2.061 . 0 0 "[ . 1 . 2]" 1
520 1 39 LEU H 1 40 LYS H 3.000 . 3.500 2.753 2.604 2.947 . 0 0 "[ . 1 . 2]" 1
521 1 39 LEU HA 1 39 LEU HB2 3.000 . 3.500 3.042 3.036 3.047 . 0 0 "[ . 1 . 2]" 1
522 1 39 LEU HA 1 39 LEU HB3 3.000 . 3.500 2.472 2.432 2.492 . 0 0 "[ . 1 . 2]" 1
523 1 39 LEU HA 1 39 LEU MD1 3.000 . 5.000 3.821 3.765 3.866 . 0 0 "[ . 1 . 2]" 1
524 1 39 LEU HA 1 39 LEU HG 4.000 . 5.000 3.146 3.030 3.317 . 0 0 "[ . 1 . 2]" 1
525 1 39 LEU HA 1 40 LYS H 4.000 . 5.000 3.574 3.543 3.620 . 0 0 "[ . 1 . 2]" 1
526 1 39 LEU HA 1 42 GLU H 3.000 . 3.500 3.624 3.476 3.708 0.208 20 0 "[ . 1 . 2]" 1
527 1 39 LEU HA 1 42 GLU HB2 3.000 . 3.500 3.212 2.902 3.463 . 0 0 "[ . 1 . 2]" 1
528 1 39 LEU HB2 1 39 LEU MD1 3.000 . 5.000 2.330 2.243 2.469 . 0 0 "[ . 1 . 2]" 1
529 1 39 LEU HB2 1 39 LEU MD2 3.000 . 5.000 3.205 3.194 3.216 . 0 0 "[ . 1 . 2]" 1
530 1 39 LEU HB3 1 39 LEU MD1 3.000 . 5.000 2.357 2.205 2.436 . 0 0 "[ . 1 . 2]" 1
531 1 39 LEU HB3 1 39 LEU MD2 3.000 . 5.000 2.329 2.259 2.463 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU HB3 1 40 LYS H 4.000 . 5.000 3.443 3.284 3.662 . 0 0 "[ . 1 . 2]" 1
533 1 40 LYS H 1 40 LYS HA 3.000 . 3.500 2.863 2.850 2.888 . 0 0 "[ . 1 . 2]" 1
534 1 40 LYS H 1 40 LYS HB2 3.000 . 3.500 2.575 2.328 3.560 0.060 5 0 "[ . 1 . 2]" 1
535 1 40 LYS H 1 40 LYS HB3 3.000 . 3.500 2.765 2.322 3.538 0.038 19 0 "[ . 1 . 2]" 1
536 1 40 LYS H 1 40 LYS QG 3.000 . 4.500 3.099 1.958 3.936 . 0 0 "[ . 1 . 2]" 1
537 1 40 LYS H 1 41 ALA H 3.000 . 3.500 2.650 2.546 2.749 . 0 0 "[ . 1 . 2]" 1
538 1 40 LYS HA 1 40 LYS HB3 3.000 . 3.500 2.803 2.459 3.042 . 0 0 "[ . 1 . 2]" 1
539 1 40 LYS HA 1 40 LYS QG 3.000 . 4.500 2.520 2.289 3.341 . 0 0 "[ . 1 . 2]" 1
540 1 40 LYS HA 1 41 ALA H 4.000 . 5.000 3.536 3.493 3.569 . 0 0 "[ . 1 . 2]" 1
541 1 40 LYS HA 1 43 TYR H 4.000 . 5.000 3.542 3.287 3.801 . 0 0 "[ . 1 . 2]" 1
542 1 40 LYS HA 1 43 TYR HB2 3.000 . 3.500 2.890 2.245 3.440 . 0 0 "[ . 1 . 2]" 1
543 1 40 LYS HA 1 43 TYR HB3 3.000 . 3.500 3.382 2.785 3.736 0.236 16 0 "[ . 1 . 2]" 1
544 1 40 LYS QB 1 43 TYR H 4.000 . 6.000 5.058 4.824 5.285 . 0 0 "[ . 1 . 2]" 1
545 1 40 LYS HB2 1 41 ALA H 4.000 . 5.000 3.459 2.486 4.005 . 0 0 "[ . 1 . 2]" 1
546 1 40 LYS HB2 1 50 GLU HA 4.000 . 5.000 4.680 4.180 5.172 0.172 9 0 "[ . 1 . 2]" 1
547 1 40 LYS HB3 1 41 ALA H 3.000 . 3.500 3.059 2.450 3.852 0.352 5 0 "[ . 1 . 2]" 1
548 1 40 LYS HB3 1 50 GLU HA 4.000 . 5.000 4.663 3.560 5.177 0.177 11 0 "[ . 1 . 2]" 1
549 1 41 ALA H 1 41 ALA HA 3.000 . 3.500 2.846 2.838 2.864 . 0 0 "[ . 1 . 2]" 1
550 1 41 ALA H 1 41 ALA MB 3.000 . 5.000 2.071 1.944 2.155 . 0 0 "[ . 1 . 2]" 1
551 1 41 ALA H 1 42 GLU H 3.000 . 3.500 2.806 2.712 2.887 . 0 0 "[ . 1 . 2]" 1
552 1 41 ALA HA 1 42 GLU H 4.000 . 5.000 3.594 3.565 3.614 . 0 0 "[ . 1 . 2]" 1
553 1 41 ALA HA 1 43 TYR QB 4.000 . 6.000 5.080 4.813 5.367 . 0 0 "[ . 1 . 2]" 1
554 1 41 ALA HA 1 44 LYS H 4.000 . 5.000 3.503 3.194 4.016 . 0 0 "[ . 1 . 2]" 1
555 1 41 ALA MB 1 42 GLU H 3.000 . 5.000 2.471 2.241 2.635 . 0 0 "[ . 1 . 2]" 1
556 1 42 GLU H 1 42 GLU HA 3.000 . 3.500 2.872 2.856 2.897 . 0 0 "[ . 1 . 2]" 1
557 1 42 GLU H 1 42 GLU HB2 4.000 . 5.000 2.307 2.271 2.349 . 0 0 "[ . 1 . 2]" 1
558 1 42 GLU H 1 42 GLU HB3 3.000 . 3.500 3.531 3.515 3.543 0.043 16 0 "[ . 1 . 2]" 1
559 1 42 GLU H 1 43 TYR H 3.000 . 3.500 2.719 2.616 2.829 . 0 0 "[ . 1 . 2]" 1
560 1 42 GLU HA 1 42 GLU HB2 3.000 . 3.500 3.035 3.029 3.041 . 0 0 "[ . 1 . 2]" 1
561 1 42 GLU HA 1 42 GLU HB3 3.000 . 3.500 2.549 2.526 2.566 . 0 0 "[ . 1 . 2]" 1
562 1 42 GLU HA 1 42 GLU QG 2.500 . 3.700 2.382 2.281 2.754 . 0 0 "[ . 1 . 2]" 1
563 1 42 GLU HA 1 43 TYR H 4.000 . 5.000 3.565 3.542 3.586 . 0 0 "[ . 1 . 2]" 1
564 1 42 GLU HA 1 45 GLU HB2 3.000 . 3.500 3.366 3.077 3.587 0.087 3 0 "[ . 1 . 2]" 1
565 1 42 GLU HB2 1 43 TYR H 3.000 . 3.500 2.435 2.310 2.601 . 0 0 "[ . 1 . 2]" 1
566 1 43 TYR H 1 43 TYR HB2 3.000 . 3.500 2.039 1.967 2.387 . 0 0 "[ . 1 . 2]" 1
567 1 43 TYR H 1 43 TYR HB3 3.000 . 3.500 3.053 2.505 3.464 . 0 0 "[ . 1 . 2]" 1
568 1 43 TYR H 1 44 LYS H 3.000 . 3.500 2.702 2.595 2.889 . 0 0 "[ . 1 . 2]" 1
569 1 43 TYR HA 1 43 TYR HB2 3.000 . 3.500 2.781 2.483 3.008 . 0 0 "[ . 1 . 2]" 1
570 1 43 TYR HA 1 43 TYR HB3 3.000 . 3.500 2.917 2.662 3.033 . 0 0 "[ . 1 . 2]" 1
571 1 43 TYR HA 1 43 TYR QD 3.000 . 5.700 2.443 2.012 2.947 . 0 0 "[ . 1 . 2]" 1
572 1 43 TYR HA 1 44 LYS H 4.000 . 5.000 3.550 3.523 3.595 . 0 0 "[ . 1 . 2]" 1
573 1 43 TYR QB 1 51 TYR QB 4.000 . 7.000 4.747 3.571 5.543 . 0 0 "[ . 1 . 2]" 1
574 1 43 TYR HB2 1 43 TYR QD 3.000 . 5.700 2.443 2.288 2.731 . 0 0 "[ . 1 . 2]" 1
575 1 43 TYR HB2 1 44 LYS H 3.000 . 3.500 3.241 2.692 3.728 0.228 7 0 "[ . 1 . 2]" 1
576 1 43 TYR HB3 1 43 TYR QD 3.000 . 5.700 2.550 2.298 2.794 . 0 0 "[ . 1 . 2]" 1
577 1 43 TYR HB3 1 44 LYS H 4.000 . 5.000 2.725 2.343 3.365 . 0 0 "[ . 1 . 2]" 1
578 1 43 TYR QD 1 44 LYS H 4.000 . 7.200 4.280 3.066 4.548 . 0 0 "[ . 1 . 2]" 1
579 1 43 TYR QD 1 47 THR MG 4.000 . 8.700 6.279 4.575 7.213 . 0 0 "[ . 1 . 2]" 1
580 1 43 TYR QD 1 50 GLU HA 4.000 . 7.200 3.884 2.560 5.813 . 0 0 "[ . 1 . 2]" 1
581 1 43 TYR QD 1 51 TYR H 5.000 2.500 8.200 4.283 2.807 5.444 . 0 0 "[ . 1 . 2]" 1
582 1 43 TYR QD 1 51 TYR HB2 4.000 . 7.200 5.233 3.458 6.326 . 0 0 "[ . 1 . 2]" 1
583 1 43 TYR QD 1 51 TYR HB3 4.000 . 7.200 5.132 2.706 6.529 . 0 0 "[ . 1 . 2]" 1
584 1 43 TYR QE 1 47 THR MG 3.000 . 7.200 6.555 4.929 7.316 0.116 9 0 "[ . 1 . 2]" 1
585 1 43 TYR QE 1 49 GLN HB2 4.000 . 7.200 3.245 2.138 4.846 . 0 0 "[ . 1 . 2]" 1
586 1 43 TYR QE 1 49 GLN HB3 3.000 . 5.700 3.022 2.021 5.760 0.060 7 0 "[ . 1 . 2]" 1
587 1 43 TYR QE 1 50 GLU HA 4.000 . 7.200 5.541 4.074 7.038 . 0 0 "[ . 1 . 2]" 1
588 1 43 TYR QE 1 51 TYR H 4.000 . 7.200 5.387 3.277 6.713 . 0 0 "[ . 1 . 2]" 1
589 1 43 TYR QE 1 51 TYR HA 3.000 . 5.700 4.511 2.577 5.734 0.034 2 0 "[ . 1 . 2]" 1
590 1 43 TYR QE 1 51 TYR HB2 4.000 . 7.200 5.581 3.565 7.212 0.012 14 0 "[ . 1 . 2]" 1
591 1 43 TYR QE 1 51 TYR HB3 4.000 . 7.200 5.588 3.077 7.322 0.122 13 0 "[ . 1 . 2]" 1
592 1 43 TYR QE 1 51 TYR QD 4.000 . 9.400 5.147 3.861 6.725 . 0 0 "[ . 1 . 2]" 1
593 1 43 TYR QE 1 51 TYR QE 4.000 . 9.400 6.711 5.491 8.122 . 0 0 "[ . 1 . 2]" 1
594 1 44 LYS H 1 44 LYS HA 3.000 . 3.500 2.840 2.817 2.851 . 0 0 "[ . 1 . 2]" 1
595 1 44 LYS H 1 44 LYS QB 2.500 . 3.700 2.209 2.146 2.387 . 0 0 "[ . 1 . 2]" 1
596 1 44 LYS H 1 45 GLU H 3.000 . 3.500 2.777 2.733 2.866 . 0 0 "[ . 1 . 2]" 1
597 1 44 LYS HA 1 47 THR MG 4.000 . 6.500 5.846 4.699 6.489 . 0 0 "[ . 1 . 2]" 1
598 1 44 LYS HA 1 48 GLY H 4.000 . 5.000 2.590 2.253 4.049 . 0 0 "[ . 1 . 2]" 1
599 1 44 LYS HA 1 49 GLN H 3.000 . 3.500 2.724 1.973 3.671 0.171 7 0 "[ . 1 . 2]" 1
600 1 44 LYS QB 1 45 GLU H 3.000 . 4.500 2.777 2.487 3.676 . 0 0 "[ . 1 . 2]" 1
601 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.828 2.809 2.851 . 0 0 "[ . 1 . 2]" 1
602 1 45 GLU H 1 45 GLU HB3 3.000 . 3.500 3.530 3.501 3.544 0.044 8 0 "[ . 1 . 2]" 1
603 1 45 GLU HA 1 45 GLU HB2 3.000 . 3.500 3.025 2.999 3.034 . 0 0 "[ . 1 . 2]" 1
604 1 45 GLU HA 1 45 GLU HB3 3.000 . 3.500 2.560 2.535 2.639 . 0 0 "[ . 1 . 2]" 1
605 1 45 GLU HB2 1 46 LYS H 3.000 . 3.500 2.648 2.579 2.779 . 0 0 "[ . 1 . 2]" 1
606 1 46 LYS H 1 46 LYS HA 3.000 . 3.500 2.864 2.851 2.885 . 0 0 "[ . 1 . 2]" 1
607 1 46 LYS H 1 46 LYS HB2 3.000 . 3.500 2.334 2.283 2.423 . 0 0 "[ . 1 . 2]" 1
608 1 46 LYS H 1 46 LYS HB3 3.000 . 3.500 3.533 3.513 3.551 0.051 9 0 "[ . 1 . 2]" 1
609 1 46 LYS H 1 47 THR H 3.000 . 3.500 2.976 2.880 3.365 . 0 0 "[ . 1 . 2]" 1
610 1 47 THR H 1 47 THR HB 4.000 . 5.000 3.185 2.839 3.799 . 0 0 "[ . 1 . 2]" 1
611 1 47 THR H 1 47 THR MG 4.000 . 6.500 3.365 2.220 4.024 . 0 0 "[ . 1 . 2]" 1
612 1 47 THR H 1 48 GLY H 2.500 . 2.700 2.091 1.894 2.733 0.033 7 0 "[ . 1 . 2]" 1
613 1 47 THR HA 1 47 THR HB 3.000 . 3.500 2.796 2.435 3.036 . 0 0 "[ . 1 . 2]" 1
614 1 47 THR HA 1 47 THR MG 3.000 . 5.000 2.538 1.978 3.211 . 0 0 "[ . 1 . 2]" 1
615 1 47 THR HA 1 48 GLY H 3.000 . 3.500 3.103 2.760 3.600 0.100 7 0 "[ . 1 . 2]" 1
616 1 47 THR MG 1 48 GLY H 4.000 . 6.500 3.953 3.009 4.468 . 0 0 "[ . 1 . 2]" 1
617 1 48 GLY H 1 49 GLN H 3.000 . 3.500 2.766 2.558 3.664 0.164 7 0 "[ . 1 . 2]" 1
618 1 48 GLY QA 1 49 GLN H 4.000 . 6.000 2.630 2.114 2.843 . 0 0 "[ . 1 . 2]" 1
619 1 49 GLN H 1 49 GLN HA 3.000 . 3.500 2.944 2.907 2.976 . 0 0 "[ . 1 . 2]" 1
620 1 49 GLN H 1 49 GLN HB3 3.000 . 3.500 3.534 3.505 3.674 0.174 7 0 "[ . 1 . 2]" 1
621 1 49 GLN H 1 49 GLN QG 3.000 . 4.500 2.449 2.202 3.149 . 0 0 "[ . 1 . 2]" 1
622 1 49 GLN H 1 50 GLU H 2.500 . 2.700 2.439 1.939 2.824 0.124 9 0 "[ . 1 . 2]" 1
623 1 49 GLN HA 1 50 GLU H 3.000 . 3.500 3.454 3.017 3.577 0.077 2 0 "[ . 1 . 2]" 1
624 1 49 GLN HB2 1 50 GLU H 3.000 . 3.500 3.043 2.581 3.900 0.400 9 0 "[ . 1 . 2]" 1
625 1 50 GLU H 1 50 GLU HA 3.000 . 3.500 2.444 2.336 2.949 . 0 0 "[ . 1 . 2]" 1
626 1 50 GLU H 1 50 GLU HB2 4.000 . 5.000 3.868 3.548 3.937 . 0 0 "[ . 1 . 2]" 1
627 1 50 GLU H 1 50 GLU HB3 2.500 . 2.700 2.801 2.447 3.135 0.435 7 0 "[ . 1 . 2]" 1
628 1 50 GLU H 1 50 GLU QG 4.000 . 6.000 2.956 1.967 3.325 . 0 0 "[ . 1 . 2]" 1
629 1 50 GLU H 1 51 TYR H 4.000 . 5.000 4.328 3.703 4.728 . 0 0 "[ . 1 . 2]" 1
630 1 50 GLU HA 1 50 GLU HB3 3.000 . 3.500 2.449 2.379 2.500 . 0 0 "[ . 1 . 2]" 1
631 1 50 GLU HA 1 51 TYR H 3.000 . 3.500 2.475 2.136 2.886 . 0 0 "[ . 1 . 2]" 1
632 1 50 GLU HB2 1 51 TYR H 4.000 . 5.000 2.996 1.966 4.161 . 0 0 "[ . 1 . 2]" 1
633 1 50 GLU QG 1 52 LYS QB 4.000 . 7.000 5.682 3.819 6.639 . 0 0 "[ . 1 . 2]" 1
634 1 50 GLU QG 1 52 LYS QE 4.000 . 7.000 5.519 3.622 6.761 . 0 0 "[ . 1 . 2]" 1
635 1 51 TYR H 1 51 TYR HB2 3.000 . 3.500 2.992 2.425 3.549 0.049 4 0 "[ . 1 . 2]" 1
636 1 51 TYR H 1 51 TYR HB3 4.000 . 5.000 2.351 2.208 2.498 . 0 0 "[ . 1 . 2]" 1
637 1 51 TYR H 1 51 TYR QD 4.000 . 7.200 3.175 1.958 4.154 . 0 0 "[ . 1 . 2]" 1
638 1 51 TYR HA 1 51 TYR HB2 3.000 . 3.500 2.441 2.367 2.506 . 0 0 "[ . 1 . 2]" 1
639 1 51 TYR HA 1 51 TYR QD 3.000 . 5.700 3.011 2.116 3.739 . 0 0 "[ . 1 . 2]" 1
640 1 51 TYR HA 1 52 LYS H 3.000 . 3.500 2.257 2.199 2.553 . 0 0 "[ . 1 . 2]" 1
641 1 51 TYR QB 1 51 TYR QE 4.000 . 8.200 3.971 3.959 3.993 . 0 0 "[ . 1 . 2]" 1
642 1 51 TYR HB2 1 51 TYR QD 3.000 . 5.700 2.529 2.360 2.776 . 0 0 "[ . 1 . 2]" 1
643 1 51 TYR HB2 1 52 LYS H 4.000 . 5.000 3.828 2.870 4.708 . 0 0 "[ . 1 . 2]" 1
644 1 51 TYR HB3 1 51 TYR QD 3.000 . 5.700 2.380 2.293 2.485 . 0 0 "[ . 1 . 2]" 1
645 1 51 TYR HB3 1 52 LYS H 4.000 . 5.000 4.315 4.066 4.537 . 0 0 "[ . 1 . 2]" 1
646 1 51 TYR QD 1 52 LYS H 4.000 . 7.200 3.547 2.650 4.453 . 0 0 "[ . 1 . 2]" 1
647 1 51 TYR QD 1 52 LYS HA 4.000 . 7.200 4.736 4.147 5.170 . 0 0 "[ . 1 . 2]" 1
648 1 51 TYR QD 1 53 PRO QD 4.000 . 8.200 5.185 4.225 5.684 . 0 0 "[ . 1 . 2]" 1
649 1 51 TYR QD 1 53 PRO QG 4.000 . 8.200 6.212 5.177 6.803 . 0 0 "[ . 1 . 2]" 1
650 1 51 TYR QD 1 56 PRO QG 4.000 . 8.200 6.991 6.249 8.395 0.195 3 0 "[ . 1 . 2]" 1
651 1 51 TYR QE 1 52 LYS HA 4.000 . 7.200 5.828 5.522 6.165 . 0 0 "[ . 1 . 2]" 1
652 1 51 TYR QE 1 53 PRO QB 4.000 . 8.200 4.999 4.580 5.569 . 0 0 "[ . 1 . 2]" 1
653 1 51 TYR QE 1 53 PRO HD2 4.000 . 7.200 6.749 6.218 6.954 . 0 0 "[ . 1 . 2]" 1
654 1 51 TYR QE 1 53 PRO HD3 4.000 . 7.200 6.176 5.744 6.538 . 0 0 "[ . 1 . 2]" 1
655 1 51 TYR QE 1 53 PRO QG 4.000 . 8.200 6.331 5.897 6.666 . 0 0 "[ . 1 . 2]" 1
656 1 51 TYR QE 1 56 PRO QG 4.000 . 8.200 6.772 4.751 8.124 . 0 0 "[ . 1 . 2]" 1
657 1 52 LYS H 1 52 LYS HB3 4.000 . 5.000 3.510 3.454 3.541 . 0 0 "[ . 1 . 2]" 1
658 1 52 LYS HA 1 53 PRO HD2 3.000 . 3.500 2.587 2.328 2.742 . 0 0 "[ . 1 . 2]" 1
659 1 52 LYS HA 1 53 PRO HD3 3.000 . 3.500 2.256 1.952 2.596 . 0 0 "[ . 1 . 2]" 1
660 1 52 LYS QB 1 52 LYS QE 4.000 . 7.000 3.255 1.960 3.703 . 0 0 "[ . 1 . 2]" 1
661 1 52 LYS HB2 1 53 PRO QD 4.000 . 6.000 3.778 3.493 4.177 . 0 0 "[ . 1 . 2]" 1
662 1 52 LYS HB3 1 53 PRO QD 4.000 . 6.000 2.408 1.934 3.062 . 0 0 "[ . 1 . 2]" 1
663 1 52 LYS QE 1 52 LYS QG 3.000 . 5.500 2.143 1.961 2.374 . 0 0 "[ . 1 . 2]" 1
664 1 53 PRO HA 1 53 PRO HD2 4.000 . 5.000 4.073 3.993 4.096 . 0 0 "[ . 1 . 2]" 1
665 1 53 PRO HA 1 53 PRO HD3 4.000 . 5.000 3.699 3.483 3.935 . 0 0 "[ . 1 . 2]" 1
666 1 53 PRO HA 1 54 GLY H 4.000 . 5.000 3.244 2.531 3.598 . 0 0 "[ . 1 . 2]" 1
667 1 53 PRO HA 1 55 ASN H 3.000 . 3.500 3.478 3.093 3.860 0.360 13 0 "[ . 1 . 2]" 1
668 1 54 GLY H 1 55 ASN H 3.000 . 3.500 2.834 2.569 3.394 . 0 0 "[ . 1 . 2]" 1
669 1 55 ASN H 1 55 ASN QB 3.000 . 4.500 2.961 2.636 3.254 . 0 0 "[ . 1 . 2]" 1
670 1 55 ASN HA 1 55 ASN HB2 3.000 . 3.500 2.867 2.313 3.039 . 0 0 "[ . 1 . 2]" 1
671 1 55 ASN HA 1 55 ASN HB3 3.000 . 3.500 2.760 2.482 3.021 . 0 0 "[ . 1 . 2]" 1
672 1 55 ASN HA 1 56 PRO QB 4.000 . 6.000 4.820 4.690 5.117 . 0 0 "[ . 1 . 2]" 1
673 1 55 ASN HA 1 56 PRO HD2 3.000 . 3.500 2.728 1.989 2.977 . 0 0 "[ . 1 . 2]" 1
674 1 55 ASN HA 1 56 PRO HD3 3.000 . 3.500 2.720 2.434 3.396 . 0 0 "[ . 1 . 2]" 1
675 1 57 PRO HA 1 57 PRO HD3 3.000 . 3.500 3.590 3.524 3.657 0.157 10 0 "[ . 1 . 2]" 1
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