NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441945 |
2kbr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbr
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 1128
_Distance_constraint_stats_list.Viol_count 1307
_Distance_constraint_stats_list.Viol_total 1164.520
_Distance_constraint_stats_list.Viol_max 0.299
_Distance_constraint_stats_list.Viol_rms 0.0158
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0445
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASP 0.017 0.006 20 0 "[ . 1 . 2]"
1 3 ARG 0.270 0.039 5 0 "[ . 1 . 2]"
1 4 LYS 1.014 0.071 1 0 "[ . 1 . 2]"
1 5 VAL 0.141 0.085 14 0 "[ . 1 . 2]"
1 6 ALA 0.534 0.042 1 0 "[ . 1 . 2]"
1 7 ARG 2.523 0.071 1 0 "[ . 1 . 2]"
1 8 GLU 0.993 0.041 18 0 "[ . 1 . 2]"
1 9 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 HIS 1.872 0.066 1 0 "[ . 1 . 2]"
1 12 LYS 0.027 0.027 6 0 "[ . 1 . 2]"
1 13 VAL 2.530 0.197 17 0 "[ . 1 . 2]"
1 14 ASP 1.137 0.061 6 0 "[ . 1 . 2]"
1 15 PHE 1.612 0.096 7 0 "[ . 1 . 2]"
1 16 LEU 3.245 0.197 18 0 "[ . 1 . 2]"
1 17 ILE 5.252 0.167 16 0 "[ . 1 . 2]"
1 18 GLU 5.579 0.245 3 0 "[ . 1 . 2]"
1 19 ASN 8.491 0.245 3 0 "[ . 1 . 2]"
1 20 ASP 0.701 0.039 9 0 "[ . 1 . 2]"
1 21 ALA 0.763 0.050 4 0 "[ . 1 . 2]"
1 22 GLU 0.930 0.050 4 0 "[ . 1 . 2]"
1 23 LYS 1.498 0.082 18 0 "[ . 1 . 2]"
1 24 ASP 0.149 0.024 16 0 "[ . 1 . 2]"
1 25 TYR 2.807 0.131 18 0 "[ . 1 . 2]"
1 26 LEU 6.159 0.299 1 0 "[ . 1 . 2]"
1 27 TYR 1.336 0.082 18 0 "[ . 1 . 2]"
1 28 ASP 2.370 0.131 18 0 "[ . 1 . 2]"
1 29 VAL 5.342 0.216 11 0 "[ . 1 . 2]"
1 30 LEU 0.375 0.038 13 0 "[ . 1 . 2]"
1 31 ARG 0.326 0.035 19 0 "[ . 1 . 2]"
1 32 MET 0.360 0.028 17 0 "[ . 1 . 2]"
1 33 TYR 0.007 0.005 20 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLN 1.088 0.060 4 0 "[ . 1 . 2]"
1 36 THR 1.108 0.060 4 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.995 0.103 10 0 "[ . 1 . 2]"
1 39 VAL 0.275 0.060 14 0 "[ . 1 . 2]"
1 40 ALA 1.918 0.121 1 0 "[ . 1 . 2]"
1 41 VAL 2.442 0.121 1 0 "[ . 1 . 2]"
1 42 LEU 0.342 0.095 3 0 "[ . 1 . 2]"
1 43 VAL 0.078 0.077 4 0 "[ . 1 . 2]"
1 44 GLY 0.255 0.032 20 0 "[ . 1 . 2]"
1 45 ASP 3.362 0.216 11 0 "[ . 1 . 2]"
1 46 LEU 4.914 0.284 6 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.384 0.091 17 0 "[ . 1 . 2]"
1 50 ILE 4.127 0.197 3 0 "[ . 1 . 2]"
1 51 ASN 1.453 0.097 17 0 "[ . 1 . 2]"
1 52 GLU 0.018 0.004 3 0 "[ . 1 . 2]"
1 53 PRO 0.007 0.005 17 0 "[ . 1 . 2]"
1 54 SER 0.025 0.005 17 0 "[ . 1 . 2]"
1 55 ARG 0.038 0.029 2 0 "[ . 1 . 2]"
1 56 LEU 0.051 0.024 7 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 4.936 0.299 1 0 "[ . 1 . 2]"
1 59 PHE 0.027 0.013 20 0 "[ . 1 . 2]"
1 60 ASP 0.003 0.003 20 0 "[ . 1 . 2]"
1 61 ALA 0.004 0.004 7 0 "[ . 1 . 2]"
1 62 ILE 4.523 0.284 6 0 "[ . 1 . 2]"
1 63 ARG 0.359 0.027 16 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 LEU 0.450 0.180 4 0 "[ . 1 . 2]"
1 66 ILE 0.737 0.138 14 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 2.124 0.222 10 0 "[ . 1 . 2]"
1 69 LYS 0.160 0.019 15 0 "[ . 1 . 2]"
1 70 HIS 0.207 0.034 3 0 "[ . 1 . 2]"
1 71 GLN 0.333 0.054 3 0 "[ . 1 . 2]"
1 72 VAL 1.275 0.077 3 0 "[ . 1 . 2]"
1 73 GLU 1.191 0.071 13 0 "[ . 1 . 2]"
1 74 TYR 0.085 0.012 10 0 "[ . 1 . 2]"
1 75 ASP 1.298 0.077 3 0 "[ . 1 . 2]"
1 76 GLN 1.226 0.071 13 0 "[ . 1 . 2]"
1 77 LEU 0.489 0.041 13 0 "[ . 1 . 2]"
1 78 THR 0.391 0.077 4 0 "[ . 1 . 2]"
1 79 PRO 0.028 0.028 13 0 "[ . 1 . 2]"
2 1 ASP 0.012 0.006 19 0 "[ . 1 . 2]"
2 2 ASP 0.180 0.088 13 0 "[ . 1 . 2]"
2 3 ASP 0.171 0.088 13 0 "[ . 1 . 2]"
2 4 ARG 0.002 0.002 7 0 "[ . 1 . 2]"
2 5 TYR 0.119 0.085 14 0 "[ . 1 . 2]"
2 6 LEU 0.664 0.180 4 0 "[ . 1 . 2]"
2 7 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLU 0.006 0.004 14 0 "[ . 1 . 2]"
2 9 ALA 0.051 0.010 15 0 "[ . 1 . 2]"
2 10 ILE 0.253 0.111 12 0 "[ . 1 . 2]"
2 11 GLN 1.196 0.059 2 0 "[ . 1 . 2]"
2 12 GLU 1.249 0.036 8 0 "[ . 1 . 2]"
2 13 TYR 1.472 0.050 18 0 "[ . 1 . 2]"
2 14 ASP 1.109 0.059 2 0 "[ . 1 . 2]"
2 15 ASN 0.862 0.036 8 0 "[ . 1 . 2]"
2 16 ILE 1.618 0.050 17 0 "[ . 1 . 2]"
2 17 ALA 0.625 0.050 17 0 "[ . 1 . 2]"
2 18 LYS 0.167 0.038 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASP HA 1 5 VAL HB 5.000 . 5.000 4.380 3.664 4.879 . 0 0 "[ . 1 . 2]" 1
2 1 3 ARG HA 1 3 ARG QG 2.700 . 3.700 2.530 2.019 3.346 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG HA 1 6 ALA MB 3.300 . 4.800 3.476 3.280 3.580 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG QB 1 3 ARG QD 3.300 . 5.300 2.072 1.933 2.497 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HA 1 4 LYS QG 3.300 . 4.300 2.464 2.011 3.342 . 0 0 "[ . 1 . 2]" 1
6 1 4 LYS HA 1 7 ARG QB 3.300 . 4.300 2.364 2.151 2.743 . 0 0 "[ . 1 . 2]" 1
7 1 4 LYS QE 1 4 LYS QG 2.700 . 4.700 2.181 1.964 2.460 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL HA 1 5 VAL QG 2.700 . 4.400 2.125 2.040 2.166 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL HA 1 8 GLU QB 3.300 . 4.300 2.942 2.690 3.872 . 0 0 "[ . 1 . 2]" 1
10 1 5 VAL QG 2 5 TYR QB 5.000 . 8.400 2.919 2.296 4.192 . 0 0 "[ . 1 . 2]" 1
11 1 5 VAL QG 1 64 PRO QB 5.000 . 8.400 4.757 3.561 5.305 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL QG 1 65 LEU QD 2.700 . 7.500 3.513 3.280 3.657 . 0 0 "[ . 1 . 2]" 1
13 1 6 ALA HA 2 9 ALA HA 3.300 . 3.300 3.246 2.999 3.310 0.010 15 0 "[ . 1 . 2]" 1
14 1 6 ALA HA 2 9 ALA MB 3.300 . 4.800 2.402 2.002 2.806 . 0 0 "[ . 1 . 2]" 1
15 1 6 ALA HA 1 9 PHE QB 5.000 . 6.000 2.757 2.480 2.895 . 0 0 "[ . 1 . 2]" 1
16 1 6 ALA MB 2 9 ALA HA 2.700 . 4.200 2.233 1.933 2.703 . 0 0 "[ . 1 . 2]" 1
17 1 6 ALA MB 2 12 GLU QB 3.300 . 5.800 2.542 2.230 2.841 . 0 0 "[ . 1 . 2]" 1
18 1 6 ALA MB 2 12 GLU QG 3.300 . 5.800 2.335 1.864 3.023 . 0 0 "[ . 1 . 2]" 1
19 1 7 ARG HA 1 10 ARG QB 3.300 . 4.300 2.848 2.434 3.838 . 0 0 "[ . 1 . 2]" 1
20 1 7 ARG HA 1 7 ARG QG 3.300 . 4.300 2.215 2.017 2.527 . 0 0 "[ . 1 . 2]" 1
21 1 7 ARG QB 1 7 ARG QD 2.700 . 4.700 2.102 1.939 2.489 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU HA 1 11 HIS QB 3.300 . 4.300 2.643 2.496 2.835 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU HA 1 8 GLU QG 3.300 . 4.300 2.543 2.009 3.395 . 0 0 "[ . 1 . 2]" 1
24 1 9 PHE HA 1 12 LYS QB 5.000 . 6.000 2.758 2.491 2.971 . 0 0 "[ . 1 . 2]" 1
25 1 9 PHE HA 1 12 LYS QG 5.000 . 6.000 3.874 3.325 4.576 . 0 0 "[ . 1 . 2]" 1
26 1 10 ARG HA 1 10 ARG QG 3.300 . 4.300 2.472 2.094 3.432 . 0 0 "[ . 1 . 2]" 1
27 1 10 ARG HA 1 13 VAL HB 5.000 . 5.000 3.042 2.836 3.254 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 13 VAL QG 3.300 . 5.700 2.905 2.382 3.360 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG QB 1 10 ARG QD 3.300 . 5.300 2.163 1.913 2.734 . 0 0 "[ . 1 . 2]" 1
30 1 11 HIS HA 1 14 ASP QB 5.000 . 6.000 2.777 2.368 4.005 . 0 0 "[ . 1 . 2]" 1
31 1 12 LYS HA 1 12 LYS QD 2.700 . 3.700 2.658 2.200 3.201 . 0 0 "[ . 1 . 2]" 1
32 1 12 LYS HA 1 12 LYS QG 3.300 . 4.300 2.363 2.080 3.287 . 0 0 "[ . 1 . 2]" 1
33 1 12 LYS HA 1 15 PHE QB 3.300 . 4.300 2.438 2.011 2.684 . 0 0 "[ . 1 . 2]" 1
34 1 12 LYS QB 1 12 LYS QD 3.300 . 5.300 2.157 1.954 2.474 . 0 0 "[ . 1 . 2]" 1
35 1 12 LYS QE 1 12 LYS QG 2.700 . 4.700 2.209 1.987 2.472 . 0 0 "[ . 1 . 2]" 1
36 1 13 VAL HA 1 13 VAL QG 2.700 . 4.400 2.145 2.097 2.170 . 0 0 "[ . 1 . 2]" 1
37 1 13 VAL HA 1 16 LEU QB 5.000 . 6.000 3.599 3.265 4.458 . 0 0 "[ . 1 . 2]" 1
38 1 13 VAL HA 1 58 LEU QD 3.300 . 5.700 3.400 2.558 3.943 . 0 0 "[ . 1 . 2]" 1
39 1 13 VAL QG 1 14 ASP HA 5.000 . 7.400 3.531 3.345 3.677 . 0 0 "[ . 1 . 2]" 1
40 1 13 VAL QG 1 17 ILE HB 5.000 . 7.400 3.048 2.587 3.602 . 0 0 "[ . 1 . 2]" 1
41 1 13 VAL QG 1 17 ILE MD 2.700 . 6.600 2.310 1.663 3.309 0.137 18 0 "[ . 1 . 2]" 1
42 1 13 VAL QG 1 23 LYS HA 3.300 . 5.700 3.292 2.687 3.602 . 0 0 "[ . 1 . 2]" 1
43 1 13 VAL QG 1 23 LYS QE 3.300 . 6.700 3.334 2.100 3.964 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL QG 1 23 LYS QG 3.300 . 6.700 2.396 1.775 3.985 0.025 6 0 "[ . 1 . 2]" 1
45 1 13 VAL QG 1 26 LEU QD 2.700 . 7.500 1.734 1.603 2.113 0.197 17 0 "[ . 1 . 2]" 1
46 1 13 VAL QG 1 58 LEU QD 2.700 . 7.500 2.244 1.910 2.716 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL QG 1 61 ALA MB 5.000 . 8.900 3.468 2.953 3.942 . 0 0 "[ . 1 . 2]" 1
48 1 14 ASP HA 1 23 LYS QE 3.300 . 4.300 2.685 2.049 3.630 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU HA 1 16 LEU QD 2.700 . 4.400 2.670 2.365 3.351 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU HA 1 16 LEU HG 3.300 . 3.300 3.232 3.060 3.497 0.197 18 0 "[ . 1 . 2]" 1
51 1 16 LEU QB 1 16 LEU QD 2.700 . 6.100 1.820 1.731 1.911 0.069 3 0 "[ . 1 . 2]" 1
52 1 16 LEU QB 1 58 LEU QD 3.300 . 6.700 3.752 2.702 4.393 . 0 0 "[ . 1 . 2]" 1
53 1 16 LEU QD 1 55 ARG HA 3.300 . 5.700 3.365 2.041 3.940 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU QD 1 58 LEU HA 3.300 . 5.700 2.943 2.354 3.461 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU QD 1 58 LEU QD 2.700 . 7.500 2.697 1.676 3.347 0.124 7 0 "[ . 1 . 2]" 1
56 1 16 LEU QD 1 58 LEU HG 3.300 . 5.700 2.700 1.853 3.886 . 0 0 "[ . 1 . 2]" 1
57 1 17 ILE HA 1 17 ILE MD 3.300 . 4.800 2.808 1.992 3.903 . 0 0 "[ . 1 . 2]" 1
58 1 17 ILE HA 1 17 ILE QG 3.300 . 4.300 2.551 2.158 3.125 . 0 0 "[ . 1 . 2]" 1
59 1 17 ILE HA 1 17 ILE MG 2.700 . 4.200 2.385 2.143 2.588 . 0 0 "[ . 1 . 2]" 1
60 1 17 ILE HB 1 17 ILE MD 3.300 . 4.800 2.603 2.115 3.229 . 0 0 "[ . 1 . 2]" 1
61 1 17 ILE MD 1 17 ILE MG 2.700 . 5.700 2.652 1.827 3.244 . 0 0 "[ . 1 . 2]" 1
62 1 17 ILE MD 1 23 LYS HA 5.000 . 6.500 4.353 2.749 5.113 . 0 0 "[ . 1 . 2]" 1
63 1 17 ILE MD 1 23 LYS QG 5.000 . 7.500 4.247 2.355 5.243 . 0 0 "[ . 1 . 2]" 1
64 1 17 ILE MD 1 49 VAL QG 2.700 . 6.600 3.147 2.630 3.478 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE MD 1 55 ARG QD 5.000 . 7.500 4.008 3.118 4.992 . 0 0 "[ . 1 . 2]" 1
66 1 17 ILE MD 1 58 LEU QD 2.700 . 6.600 2.380 1.786 3.033 0.014 3 0 "[ . 1 . 2]" 1
67 1 17 ILE QG 1 17 ILE MG 2.700 . 5.200 2.100 1.922 2.362 . 0 0 "[ . 1 . 2]" 1
68 1 17 ILE MG 1 19 ASN QB 5.000 . 7.500 1.896 1.709 2.123 0.091 14 0 "[ . 1 . 2]" 1
69 1 17 ILE MG 1 22 GLU QG 5.000 . 7.500 3.026 2.415 3.508 . 0 0 "[ . 1 . 2]" 1
70 1 17 ILE MG 1 23 LYS HA 5.000 . 6.500 3.737 2.992 4.534 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE MG 1 23 LYS QE 3.300 . 5.800 3.580 2.414 4.222 . 0 0 "[ . 1 . 2]" 1
72 1 17 ILE MG 1 23 LYS QG 3.300 . 5.800 3.708 2.959 4.044 . 0 0 "[ . 1 . 2]" 1
73 1 17 ILE MG 1 49 VAL QG 3.300 . 7.200 3.821 3.497 4.126 . 0 0 "[ . 1 . 2]" 1
74 1 17 ILE MG 1 55 ARG QD 5.000 . 7.500 4.978 4.393 5.501 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLU HA 1 18 GLU QG 2.700 . 3.700 2.537 2.367 3.150 . 0 0 "[ . 1 . 2]" 1
76 1 19 ASN HA 1 22 GLU QB 5.000 . 6.000 4.893 4.472 5.145 . 0 0 "[ . 1 . 2]" 1
77 1 19 ASN QB 1 22 GLU QB 5.000 . 7.000 2.217 1.929 2.450 . 0 0 "[ . 1 . 2]" 1
78 1 19 ASN QB 1 22 GLU QG 5.000 . 7.000 3.310 2.130 4.022 . 0 0 "[ . 1 . 2]" 1
79 1 20 ASP HA 1 23 LYS QB 3.300 . 4.300 2.842 2.574 3.858 . 0 0 "[ . 1 . 2]" 1
80 1 20 ASP HA 1 23 LYS QD 5.000 . 6.000 4.056 2.749 4.514 . 0 0 "[ . 1 . 2]" 1
81 1 20 ASP HA 1 23 LYS QE 5.000 . 6.000 3.706 2.118 5.165 . 0 0 "[ . 1 . 2]" 1
82 1 21 ALA HA 1 24 ASP QB 3.300 . 4.300 2.521 2.386 2.682 . 0 0 "[ . 1 . 2]" 1
83 1 21 ALA MB 1 24 ASP QB 5.000 . 7.500 3.838 3.745 3.896 . 0 0 "[ . 1 . 2]" 1
84 1 22 GLU HA 1 22 GLU QG 3.300 . 4.300 2.280 2.110 2.616 . 0 0 "[ . 1 . 2]" 1
85 1 22 GLU HA 1 25 TYR QB 3.300 . 4.300 3.137 3.002 3.909 . 0 0 "[ . 1 . 2]" 1
86 1 22 GLU HA 1 49 VAL QG 5.000 . 7.400 3.316 3.134 4.179 . 0 0 "[ . 1 . 2]" 1
87 1 22 GLU QB 1 49 VAL QG 3.300 . 6.700 2.850 2.480 3.505 . 0 0 "[ . 1 . 2]" 1
88 1 23 LYS HA 1 26 LEU QB 5.000 . 6.000 2.421 2.242 2.621 . 0 0 "[ . 1 . 2]" 1
89 1 23 LYS HA 1 26 LEU QD 5.000 . 7.400 3.178 2.806 3.488 . 0 0 "[ . 1 . 2]" 1
90 1 24 ASP HA 1 27 TYR QB 5.000 . 6.000 2.559 2.438 2.734 . 0 0 "[ . 1 . 2]" 1
91 1 25 TYR HA 1 28 ASP QB 3.300 . 4.300 2.147 1.966 2.339 . 0 0 "[ . 1 . 2]" 1
92 1 25 TYR HA 1 29 VAL QG 5.000 . 7.400 4.018 3.829 4.128 . 0 0 "[ . 1 . 2]" 1
93 1 25 TYR QB 1 49 VAL QG 5.000 . 8.400 3.026 2.785 3.218 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU HA 1 26 LEU QD 2.700 . 4.400 2.489 2.070 3.052 . 0 0 "[ . 1 . 2]" 1
95 1 26 LEU HA 1 26 LEU HG 3.300 . 3.300 2.763 2.317 3.309 0.009 8 0 "[ . 1 . 2]" 1
96 1 26 LEU HA 1 29 VAL HB 5.000 . 5.000 2.721 2.582 2.950 . 0 0 "[ . 1 . 2]" 1
97 1 26 LEU HA 1 29 VAL QG 3.300 . 5.700 1.956 1.902 2.263 . 0 0 "[ . 1 . 2]" 1
98 1 26 LEU QD 1 30 LEU QD 2.700 . 7.500 2.265 1.762 3.018 0.038 13 0 "[ . 1 . 2]" 1
99 1 26 LEU QD 1 49 VAL QG 2.700 . 7.500 3.020 2.654 3.517 . 0 0 "[ . 1 . 2]" 1
100 1 26 LEU QD 1 58 LEU QD 2.700 . 7.500 1.676 1.501 1.935 0.299 1 0 "[ . 1 . 2]" 1
101 1 26 LEU QD 1 62 ILE MD 2.700 . 6.600 2.564 2.249 3.137 . 0 0 "[ . 1 . 2]" 1
102 1 26 LEU QD 1 62 ILE MG 3.300 . 7.200 4.187 4.072 4.277 . 0 0 "[ . 1 . 2]" 1
103 1 27 TYR HA 1 30 LEU QB 5.000 . 6.000 3.212 2.880 3.411 . 0 0 "[ . 1 . 2]" 1
104 1 27 TYR HA 1 30 LEU QD 3.300 . 5.700 2.530 1.969 3.440 . 0 0 "[ . 1 . 2]" 1
105 1 28 ASP HA 1 31 ARG QB 5.000 . 6.000 2.397 2.096 2.592 . 0 0 "[ . 1 . 2]" 1
106 1 29 VAL HA 1 29 VAL QG 2.700 . 4.400 2.099 2.048 2.175 . 0 0 "[ . 1 . 2]" 1
107 1 29 VAL HA 1 32 MET QB 3.300 . 4.300 2.992 2.603 3.815 . 0 0 "[ . 1 . 2]" 1
108 1 29 VAL HA 1 32 MET QG 5.000 . 6.000 3.777 1.837 4.753 . 0 0 "[ . 1 . 2]" 1
109 1 29 VAL QG 1 45 ASP QB 3.300 . 6.700 1.633 1.584 1.697 0.216 11 0 "[ . 1 . 2]" 1
110 1 30 LEU HA 2 6 LEU QD 3.300 . 5.700 3.690 3.413 4.136 . 0 0 "[ . 1 . 2]" 1
111 1 30 LEU HA 1 30 LEU QD 2.700 . 4.400 2.390 1.950 2.942 . 0 0 "[ . 1 . 2]" 1
112 1 30 LEU HA 1 33 TYR QB 5.000 . 6.000 2.400 2.174 2.868 . 0 0 "[ . 1 . 2]" 1
113 1 30 LEU HA 1 42 LEU QD 3.300 . 5.700 3.777 2.596 4.265 . 0 0 "[ . 1 . 2]" 1
114 1 30 LEU QD 2 6 LEU QD 2.700 . 7.500 2.563 1.932 3.311 . 0 0 "[ . 1 . 2]" 1
115 1 30 LEU QD 1 65 LEU QD 5.000 . 9.800 2.712 2.266 3.118 . 0 0 "[ . 1 . 2]" 1
116 1 31 ARG HA 2 10 ILE MD 2.700 . 4.200 3.209 2.662 3.350 . 0 0 "[ . 1 . 2]" 1
117 1 31 ARG HA 2 10 ILE MG 3.300 . 4.800 2.991 2.299 3.482 . 0 0 "[ . 1 . 2]" 1
118 1 31 ARG HA 1 33 TYR QB 5.900 . 6.900 5.102 4.869 5.458 . 0 0 "[ . 1 . 2]" 1
119 1 31 ARG HA 1 34 HIS QB 5.000 . 6.000 3.004 2.718 3.247 . 0 0 "[ . 1 . 2]" 1
120 1 32 MET HA 1 32 MET ME 3.300 . 4.800 3.557 1.949 4.059 . 0 0 "[ . 1 . 2]" 1
121 1 32 MET HA 1 32 MET QG 2.700 . 3.700 2.511 2.000 3.348 . 0 0 "[ . 1 . 2]" 1
122 1 32 MET HA 1 35 GLN QB 2.700 . 3.700 2.802 2.272 3.297 . 0 0 "[ . 1 . 2]" 1
123 1 32 MET HA 1 35 GLN QG 5.000 . 6.000 4.540 3.260 5.374 . 0 0 "[ . 1 . 2]" 1
124 1 32 MET ME 1 32 MET QG 2.700 . 5.200 2.237 1.996 2.540 . 0 0 "[ . 1 . 2]" 1
125 1 32 MET ME 1 36 THR MG 2.700 . 5.700 2.504 1.780 3.579 0.020 2 0 "[ . 1 . 2]" 1
126 1 32 MET QG 1 36 THR MG 2.700 . 5.200 3.157 1.952 3.654 . 0 0 "[ . 1 . 2]" 1
127 1 32 MET QG 1 41 VAL QG 5.000 . 8.400 3.420 2.390 4.384 . 0 0 "[ . 1 . 2]" 1
128 1 33 TYR QB 1 42 LEU QD 3.300 . 6.700 2.656 1.860 3.197 . 0 0 "[ . 1 . 2]" 1
129 1 34 HIS QB 2 10 ILE MD 5.000 . 7.500 1.900 1.808 2.206 . 0 0 "[ . 1 . 2]" 1
130 1 34 HIS QB 2 10 ILE MG 5.000 . 7.500 3.005 2.562 3.525 . 0 0 "[ . 1 . 2]" 1
131 1 35 GLN HA 1 35 GLN QG 3.300 . 4.300 2.223 2.009 2.639 . 0 0 "[ . 1 . 2]" 1
132 1 35 GLN QB 1 36 THR MG 3.300 . 5.800 3.586 3.210 3.884 . 0 0 "[ . 1 . 2]" 1
133 1 36 THR HA 1 36 THR HB 2.700 . 2.700 2.413 2.354 2.471 . 0 0 "[ . 1 . 2]" 1
134 1 36 THR HA 1 36 THR MG 2.700 . 4.200 3.213 3.207 3.225 . 0 0 "[ . 1 . 2]" 1
135 1 36 THR HB 1 38 ASP QB 5.000 . 6.000 4.338 4.039 4.765 . 0 0 "[ . 1 . 2]" 1
136 1 36 THR MG 1 38 ASP QB 5.900 . 8.400 2.268 1.940 3.123 . 0 0 "[ . 1 . 2]" 1
137 1 37 MET HA 1 37 MET ME 2.700 . 4.200 2.951 2.295 3.515 . 0 0 "[ . 1 . 2]" 1
138 1 37 MET ME 1 37 MET QG 3.300 . 5.800 2.101 1.965 2.201 . 0 0 "[ . 1 . 2]" 1
139 1 38 ASP HA 1 41 VAL HB 5.000 . 5.000 4.999 4.863 5.025 0.025 11 0 "[ . 1 . 2]" 1
140 1 38 ASP HA 1 41 VAL QG 5.000 . 7.400 4.128 3.985 4.267 . 0 0 "[ . 1 . 2]" 1
141 1 38 ASP QB 1 41 VAL HB 3.300 . 4.300 2.581 2.134 2.908 . 0 0 "[ . 1 . 2]" 1
142 1 38 ASP QB 1 41 VAL QG 3.300 . 6.700 1.814 1.697 1.931 0.103 10 0 "[ . 1 . 2]" 1
143 1 39 VAL HA 1 39 VAL QG 2.700 . 4.400 2.094 1.962 2.169 . 0 0 "[ . 1 . 2]" 1
144 1 39 VAL HA 1 42 LEU QB 3.300 . 4.300 3.166 2.499 3.592 . 0 0 "[ . 1 . 2]" 1
145 1 39 VAL HA 1 42 LEU QD 3.300 . 5.700 2.347 1.838 3.742 . 0 0 "[ . 1 . 2]" 1
146 1 39 VAL QG 1 40 ALA HA 5.000 . 7.400 3.801 3.679 3.908 . 0 0 "[ . 1 . 2]" 1
147 1 39 VAL QG 1 40 ALA MB 3.300 . 7.200 4.020 3.152 4.216 . 0 0 "[ . 1 . 2]" 1
148 1 39 VAL QG 1 42 LEU QD 2.700 . 7.500 2.373 1.841 3.664 . 0 0 "[ . 1 . 2]" 1
149 1 39 VAL QG 1 66 ILE MD 3.300 . 7.200 3.269 2.119 4.100 . 0 0 "[ . 1 . 2]" 1
150 1 39 VAL QG 1 70 HIS HA 5.000 . 7.400 3.148 2.784 3.509 . 0 0 "[ . 1 . 2]" 1
151 1 39 VAL QG 1 70 HIS QB 3.300 . 6.700 2.317 1.777 3.010 0.023 8 0 "[ . 1 . 2]" 1
152 1 39 VAL QG 1 73 GLU QB 2.700 . 6.100 3.129 2.532 3.777 . 0 0 "[ . 1 . 2]" 1
153 1 39 VAL QG 1 73 GLU QG 3.300 . 6.700 3.851 3.412 4.314 . 0 0 "[ . 1 . 2]" 1
154 1 39 VAL QG 1 74 TYR HA 3.300 . 5.700 2.932 2.247 3.773 . 0 0 "[ . 1 . 2]" 1
155 1 39 VAL QG 1 74 TYR QB 5.000 . 8.400 2.877 2.286 3.195 . 0 0 "[ . 1 . 2]" 1
156 1 40 ALA HA 1 43 VAL HB 3.300 . 3.300 2.994 2.866 3.301 0.001 14 0 "[ . 1 . 2]" 1
157 1 40 ALA HA 1 43 VAL QG 3.300 . 5.700 2.850 2.539 3.079 . 0 0 "[ . 1 . 2]" 1
158 1 40 ALA HA 1 77 LEU QD 2.700 . 5.100 2.526 1.839 3.406 . 0 0 "[ . 1 . 2]" 1
159 1 40 ALA MB 1 41 VAL QG 2.700 . 6.600 3.057 2.915 3.216 . 0 0 "[ . 1 . 2]" 1
160 1 40 ALA MB 1 77 LEU QD 2.700 . 6.600 2.597 1.796 3.384 0.004 6 0 "[ . 1 . 2]" 1
161 1 41 VAL HA 1 41 VAL QG 2.700 . 4.400 2.123 2.070 2.172 . 0 0 "[ . 1 . 2]" 1
162 1 42 LEU HA 1 42 LEU QD 2.700 . 4.400 2.906 2.026 3.294 . 0 0 "[ . 1 . 2]" 1
163 1 42 LEU HA 1 45 ASP QB 5.000 . 6.000 3.155 2.944 3.414 . 0 0 "[ . 1 . 2]" 1
164 1 42 LEU QB 1 46 LEU QB 5.000 . 7.000 4.733 4.099 5.035 . 0 0 "[ . 1 . 2]" 1
165 1 42 LEU QD 2 6 LEU QD 3.300 . 8.100 3.474 2.735 3.938 . 0 0 "[ . 1 . 2]" 1
166 1 42 LEU QD 1 46 LEU QD 3.300 . 8.100 2.025 1.705 2.629 0.095 3 0 "[ . 1 . 2]" 1
167 1 42 LEU QD 1 46 LEU HG 3.300 . 5.700 2.718 1.959 3.475 . 0 0 "[ . 1 . 2]" 1
168 1 42 LEU QD 1 62 ILE MG 3.300 . 7.200 2.799 2.440 3.326 . 0 0 "[ . 1 . 2]" 1
169 1 42 LEU QD 1 66 ILE MD 2.700 . 6.600 2.238 1.789 2.719 0.011 18 0 "[ . 1 . 2]" 1
170 1 42 LEU QD 1 66 ILE MG 5.000 . 8.900 3.855 3.363 4.950 . 0 0 "[ . 1 . 2]" 1
171 1 43 VAL HA 1 43 VAL QG 2.700 . 4.400 2.129 2.047 2.167 . 0 0 "[ . 1 . 2]" 1
172 1 43 VAL HA 1 46 LEU QB 3.300 . 4.300 2.449 2.276 3.762 . 0 0 "[ . 1 . 2]" 1
173 1 43 VAL HA 1 46 LEU QD 3.300 . 5.700 2.607 1.918 3.088 . 0 0 "[ . 1 . 2]" 1
174 1 43 VAL QG 1 47 LYS QE 2.700 . 6.100 2.851 1.952 3.327 . 0 0 "[ . 1 . 2]" 1
175 1 43 VAL QG 1 77 LEU QB 3.300 . 6.700 2.489 1.969 3.503 . 0 0 "[ . 1 . 2]" 1
176 1 43 VAL QG 1 78 THR HA 3.300 . 5.700 3.444 2.382 4.050 . 0 0 "[ . 1 . 2]" 1
177 1 43 VAL QG 1 78 THR MG 2.700 . 6.600 2.673 1.723 3.632 0.077 4 0 "[ . 1 . 2]" 1
178 1 44 GLY QA 1 47 LYS QB 5.000 . 7.000 2.992 2.357 3.283 . 0 0 "[ . 1 . 2]" 1
179 1 44 GLY QA 1 47 LYS QD 5.000 . 7.000 3.324 2.179 5.306 . 0 0 "[ . 1 . 2]" 1
180 1 45 ASP HA 1 48 LEU QD 3.300 . 5.700 2.273 1.938 2.833 . 0 0 "[ . 1 . 2]" 1
181 1 45 ASP HA 1 48 LEU HG 5.000 . 5.000 3.858 2.937 4.331 . 0 0 "[ . 1 . 2]" 1
182 1 46 LEU HA 1 46 LEU QD 2.700 . 4.400 1.932 1.818 3.276 . 0 0 "[ . 1 . 2]" 1
183 1 46 LEU HA 1 49 VAL QG 3.300 . 5.700 3.228 2.280 3.424 . 0 0 "[ . 1 . 2]" 1
184 1 46 LEU QB 1 50 ILE MD 5.000 . 7.500 1.952 1.843 2.326 . 0 0 "[ . 1 . 2]" 1
185 1 46 LEU QD 1 49 VAL QG 2.700 . 7.500 3.582 3.072 4.067 . 0 0 "[ . 1 . 2]" 1
186 1 46 LEU QD 1 50 ILE MD 3.300 . 7.200 1.732 1.603 1.777 0.197 3 0 "[ . 1 . 2]" 1
187 1 46 LEU QD 1 58 LEU HA 3.300 . 5.700 4.124 4.047 4.211 . 0 0 "[ . 1 . 2]" 1
188 1 46 LEU QD 1 62 ILE MD 2.700 . 6.600 1.683 1.516 2.546 0.284 6 0 "[ . 1 . 2]" 1
189 1 46 LEU QD 1 62 ILE MG 2.700 . 6.600 3.176 2.747 3.711 . 0 0 "[ . 1 . 2]" 1
190 1 47 LYS HA 1 47 LYS QD 3.300 . 4.300 3.224 1.858 3.911 . 0 0 "[ . 1 . 2]" 1
191 1 47 LYS HA 1 47 LYS QG 3.300 . 4.300 2.417 2.069 2.977 . 0 0 "[ . 1 . 2]" 1
192 1 47 LYS HA 1 50 ILE HB 5.000 . 5.000 2.531 2.339 3.011 . 0 0 "[ . 1 . 2]" 1
193 1 47 LYS QB 1 47 LYS QD 3.300 . 5.300 2.114 1.915 2.475 . 0 0 "[ . 1 . 2]" 1
194 1 47 LYS QE 1 47 LYS QG 3.300 . 5.300 2.155 1.934 2.424 . 0 0 "[ . 1 . 2]" 1
195 1 48 LEU HA 1 48 LEU QD 2.700 . 4.400 2.317 1.954 2.825 . 0 0 "[ . 1 . 2]" 1
196 1 48 LEU HA 1 48 LEU HG 3.300 . 3.300 2.667 2.322 3.061 . 0 0 "[ . 1 . 2]" 1
197 1 48 LEU QB 1 48 LEU QD 2.700 . 6.100 1.869 1.806 1.940 . 0 0 "[ . 1 . 2]" 1
198 1 48 LEU QD 1 49 VAL QG 3.300 . 8.100 3.904 3.793 4.058 . 0 0 "[ . 1 . 2]" 1
199 1 49 VAL HA 1 49 VAL QG 2.700 . 4.400 2.108 2.043 2.173 . 0 0 "[ . 1 . 2]" 1
200 1 49 VAL QG 1 50 ILE MD 5.000 . 8.900 3.805 2.730 4.042 . 0 0 "[ . 1 . 2]" 1
201 1 50 ILE HA 1 50 ILE MG 2.700 . 4.200 2.292 2.233 2.499 . 0 0 "[ . 1 . 2]" 1
202 1 50 ILE HA 1 55 ARG HA 5.000 . 5.000 4.825 4.531 5.029 0.029 2 0 "[ . 1 . 2]" 1
203 1 50 ILE HA 1 55 ARG QB 3.300 . 4.300 1.949 1.846 2.155 . 0 0 "[ . 1 . 2]" 1
204 1 50 ILE HA 1 55 ARG QD 5.000 . 6.000 2.307 2.002 2.669 . 0 0 "[ . 1 . 2]" 1
205 1 50 ILE HA 1 55 ARG QG 5.900 . 6.900 3.562 3.322 3.777 . 0 0 "[ . 1 . 2]" 1
206 1 50 ILE HB 1 50 ILE MD 3.300 . 4.800 2.213 2.053 2.319 . 0 0 "[ . 1 . 2]" 1
207 1 50 ILE MD 1 50 ILE MG 2.700 . 5.700 2.304 2.031 3.033 . 0 0 "[ . 1 . 2]" 1
208 1 50 ILE MD 1 58 LEU QB 3.300 . 5.800 1.791 1.709 2.366 0.091 3 0 "[ . 1 . 2]" 1
209 1 50 ILE MD 1 58 LEU QD 3.300 . 7.200 1.983 1.646 2.617 0.154 3 0 "[ . 1 . 2]" 1
210 1 50 ILE MD 1 58 LEU HG 5.900 . 7.400 3.504 1.915 3.996 . 0 0 "[ . 1 . 2]" 1
211 1 50 ILE MD 1 59 PHE HA 5.000 . 6.500 4.031 3.700 5.008 . 0 0 "[ . 1 . 2]" 1
212 1 50 ILE MD 1 62 ILE MD 3.300 . 6.300 3.373 3.004 4.180 . 0 0 "[ . 1 . 2]" 1
213 1 50 ILE MG 1 55 ARG QB 5.000 . 7.500 1.934 1.837 2.324 . 0 0 "[ . 1 . 2]" 1
214 1 50 ILE MG 1 56 LEU HA 2.700 . 4.200 2.299 1.921 2.646 . 0 0 "[ . 1 . 2]" 1
215 1 50 ILE MG 1 56 LEU QD 2.700 . 6.600 3.159 2.745 3.596 . 0 0 "[ . 1 . 2]" 1
216 1 50 ILE MG 1 58 LEU QB 5.000 . 7.500 3.015 2.818 3.259 . 0 0 "[ . 1 . 2]" 1
217 1 50 ILE MG 1 58 LEU QD 3.300 . 7.200 3.682 3.437 4.175 . 0 0 "[ . 1 . 2]" 1
218 1 52 GLU HA 1 52 GLU QG 3.300 . 4.300 2.475 2.096 3.096 . 0 0 "[ . 1 . 2]" 1
219 1 52 GLU HA 1 53 PRO QD 2.700 . 3.700 1.997 1.889 2.160 . 0 0 "[ . 1 . 2]" 1
220 1 52 GLU QB 1 55 ARG QD 3.300 . 5.300 2.988 2.274 3.418 . 0 0 "[ . 1 . 2]" 1
221 1 52 GLU QG 1 53 PRO QD 3.300 . 5.300 3.459 2.727 3.921 . 0 0 "[ . 1 . 2]" 1
222 1 52 GLU QG 1 55 ARG QD 5.000 . 7.000 4.063 3.479 4.989 . 0 0 "[ . 1 . 2]" 1
223 1 53 PRO HA 1 53 PRO QG 2.700 . 3.700 3.155 2.918 3.481 . 0 0 "[ . 1 . 2]" 1
224 1 53 PRO HA 1 56 LEU QD 2.700 . 5.100 2.234 1.917 2.850 . 0 0 "[ . 1 . 2]" 1
225 1 53 PRO HA 1 56 LEU HG 3.300 . 3.300 1.986 1.960 2.002 . 0 0 "[ . 1 . 2]" 1
226 1 53 PRO QB 1 53 PRO QD 3.300 . 5.300 2.751 2.746 2.756 . 0 0 "[ . 1 . 2]" 1
227 1 53 PRO QB 1 56 LEU QD 3.300 . 6.700 2.111 1.914 2.578 . 0 0 "[ . 1 . 2]" 1
228 1 55 ARG HA 1 55 ARG QG 3.300 . 4.300 2.302 2.198 2.492 . 0 0 "[ . 1 . 2]" 1
229 1 55 ARG HA 1 58 LEU QD 5.000 . 7.400 4.297 3.984 4.535 . 0 0 "[ . 1 . 2]" 1
230 1 56 LEU HA 1 56 LEU QD 2.700 . 4.400 2.275 1.967 2.459 . 0 0 "[ . 1 . 2]" 1
231 1 56 LEU HA 1 56 LEU HG 3.300 . 3.300 2.549 2.456 2.728 . 0 0 "[ . 1 . 2]" 1
232 1 56 LEU QB 1 56 LEU QD 2.700 . 6.100 1.858 1.776 1.948 0.024 7 0 "[ . 1 . 2]" 1
233 1 58 LEU HA 1 58 LEU QD 2.700 . 4.400 2.069 1.829 2.747 . 0 0 "[ . 1 . 2]" 1
234 1 58 LEU HA 1 61 ALA MB 3.300 . 4.800 2.125 1.966 2.300 . 0 0 "[ . 1 . 2]" 1
235 1 58 LEU QB 1 58 LEU QD 2.700 . 6.100 1.945 1.758 2.037 0.042 3 0 "[ . 1 . 2]" 1
236 1 58 LEU QB 1 61 ALA MB 5.000 . 7.500 3.998 3.851 4.154 . 0 0 "[ . 1 . 2]" 1
237 1 58 LEU QD 1 61 ALA MB 2.700 . 6.600 2.837 2.453 3.594 . 0 0 "[ . 1 . 2]" 1
238 1 58 LEU QD 1 62 ILE MD 2.700 . 6.600 1.776 1.687 1.897 0.113 8 0 "[ . 1 . 2]" 1
239 1 58 LEU QD 1 62 ILE MG 3.300 . 7.200 4.002 3.916 4.087 . 0 0 "[ . 1 . 2]" 1
240 1 59 PHE HA 1 62 ILE HB 5.000 . 5.000 3.805 3.611 3.995 . 0 0 "[ . 1 . 2]" 1
241 1 59 PHE HA 1 62 ILE MD 3.300 . 4.800 3.310 2.501 3.979 . 0 0 "[ . 1 . 2]" 1
242 1 59 PHE HA 1 62 ILE MG 5.000 . 6.500 5.113 4.812 5.313 . 0 0 "[ . 1 . 2]" 1
243 1 62 ILE HA 1 62 ILE MD 3.300 . 4.800 3.839 2.212 3.951 . 0 0 "[ . 1 . 2]" 1
244 1 62 ILE HA 1 62 ILE QG 3.300 . 4.300 2.585 2.485 3.297 . 0 0 "[ . 1 . 2]" 1
245 1 62 ILE HA 1 62 ILE MG 2.700 . 4.200 2.272 2.131 2.378 . 0 0 "[ . 1 . 2]" 1
246 1 62 ILE HA 1 65 LEU QD 3.300 . 5.700 1.936 1.807 2.798 . 0 0 "[ . 1 . 2]" 1
247 1 62 ILE HA 1 65 LEU HG 5.000 . 5.000 3.074 2.395 3.434 . 0 0 "[ . 1 . 2]" 1
248 1 62 ILE HB 1 62 ILE MD 3.300 . 4.800 2.312 2.072 3.213 . 0 0 "[ . 1 . 2]" 1
249 1 62 ILE MD 1 62 ILE MG 2.700 . 5.700 2.278 1.811 2.635 . 0 0 "[ . 1 . 2]" 1
250 1 62 ILE MG 1 65 LEU QD 5.000 . 8.900 2.133 1.830 2.451 . 0 0 "[ . 1 . 2]" 1
251 1 62 ILE MG 1 66 ILE MD 2.700 . 5.700 2.100 1.857 2.789 . 0 0 "[ . 1 . 2]" 1
252 1 63 ARG HA 1 66 ILE MD 3.300 . 4.800 2.741 1.990 3.799 . 0 0 "[ . 1 . 2]" 1
253 1 63 ARG HA 1 66 ILE QG 5.000 . 6.000 3.666 3.026 4.930 . 0 0 "[ . 1 . 2]" 1
254 1 64 PRO HA 1 64 PRO QG 3.300 . 4.300 3.072 2.823 3.486 . 0 0 "[ . 1 . 2]" 1
255 1 65 LEU HA 2 5 TYR QB 3.300 . 4.300 2.684 2.080 3.413 . 0 0 "[ . 1 . 2]" 1
256 1 65 LEU HA 1 65 LEU QD 2.700 . 4.400 3.363 3.214 3.433 . 0 0 "[ . 1 . 2]" 1
257 1 65 LEU QB 2 6 LEU HA 5.000 . 6.000 3.707 2.297 5.161 . 0 0 "[ . 1 . 2]" 1
258 1 65 LEU QD 2 5 TYR QB 3.300 . 6.700 3.048 2.070 3.707 . 0 0 "[ . 1 . 2]" 1
259 1 65 LEU QD 2 6 LEU HA 3.300 . 5.700 2.557 1.950 3.550 . 0 0 "[ . 1 . 2]" 1
260 1 65 LEU QD 2 6 LEU QD 3.300 . 8.100 1.973 1.620 2.735 0.180 4 0 "[ . 1 . 2]" 1
261 1 65 LEU QD 2 9 ALA MB 2.700 . 6.600 3.245 2.760 3.732 . 0 0 "[ . 1 . 2]" 1
262 1 66 ILE HA 1 66 ILE MD 3.300 . 4.800 3.681 3.360 3.826 . 0 0 "[ . 1 . 2]" 1
263 1 66 ILE HA 1 66 ILE QG 3.300 . 4.300 2.203 1.972 2.363 . 0 0 "[ . 1 . 2]" 1
264 1 66 ILE HA 1 66 ILE MG 3.300 . 4.800 2.715 2.447 3.147 . 0 0 "[ . 1 . 2]" 1
265 1 66 ILE HA 1 67 PRO QD 3.300 . 4.300 1.961 1.868 2.068 . 0 0 "[ . 1 . 2]" 1
266 1 66 ILE HB 1 66 ILE MD 3.300 . 4.800 2.365 2.063 2.516 . 0 0 "[ . 1 . 2]" 1
267 1 66 ILE MD 1 66 ILE MG 2.700 . 5.700 1.991 1.662 2.565 0.138 14 0 "[ . 1 . 2]" 1
268 1 66 ILE MD 1 67 PRO QD 5.000 . 7.500 3.951 3.354 4.401 . 0 0 "[ . 1 . 2]" 1
269 1 66 ILE MD 1 71 GLN HA 5.000 . 6.500 4.085 3.530 4.721 . 0 0 "[ . 1 . 2]" 1
270 1 66 ILE MD 1 74 TYR HA 5.000 . 6.500 5.306 5.192 5.352 . 0 0 "[ . 1 . 2]" 1
271 1 66 ILE MG 1 67 PRO QD 5.000 . 7.500 2.285 1.867 3.131 . 0 0 "[ . 1 . 2]" 1
272 1 66 ILE MG 1 70 HIS HA 5.000 . 6.500 4.160 3.941 4.376 . 0 0 "[ . 1 . 2]" 1
273 1 66 ILE MG 1 70 HIS QB 3.300 . 5.800 2.084 1.938 2.289 . 0 0 "[ . 1 . 2]" 1
274 1 66 ILE MG 1 71 GLN HA 3.300 . 4.800 2.527 1.980 2.833 . 0 0 "[ . 1 . 2]" 1
275 1 66 ILE MG 1 71 GLN QG 5.000 . 7.500 2.276 1.770 3.765 0.030 18 0 "[ . 1 . 2]" 1
276 1 66 ILE MG 1 74 TYR HA 5.000 . 6.500 5.252 5.072 5.318 . 0 0 "[ . 1 . 2]" 1
277 1 66 ILE MG 1 74 TYR QB 3.300 . 5.800 3.012 2.908 3.128 . 0 0 "[ . 1 . 2]" 1
278 1 67 PRO HA 1 68 LEU QB 3.300 . 4.300 3.828 3.816 3.839 . 0 0 "[ . 1 . 2]" 1
279 1 67 PRO HA 1 68 LEU QD 5.000 . 7.400 4.725 4.534 4.749 . 0 0 "[ . 1 . 2]" 1
280 1 68 LEU HA 1 68 LEU QD 2.700 . 4.400 2.036 1.934 3.229 . 0 0 "[ . 1 . 2]" 1
281 1 68 LEU HA 1 68 LEU HG 3.300 . 3.300 2.695 2.590 3.522 0.222 10 0 "[ . 1 . 2]" 1
282 1 68 LEU HA 1 71 GLN QB 3.300 . 4.300 2.652 2.140 3.482 . 0 0 "[ . 1 . 2]" 1
283 1 68 LEU HA 1 71 GLN QG 3.300 . 4.300 2.854 1.921 3.668 . 0 0 "[ . 1 . 2]" 1
284 1 68 LEU QB 1 68 LEU QD 2.700 . 6.100 1.940 1.862 1.965 . 0 0 "[ . 1 . 2]" 1
285 1 69 LYS QB 1 69 LYS QD 3.300 . 5.300 2.089 1.954 2.194 . 0 0 "[ . 1 . 2]" 1
286 1 69 LYS QE 1 69 LYS QG 3.300 . 5.300 2.200 1.941 2.745 . 0 0 "[ . 1 . 2]" 1
287 1 70 HIS HA 1 73 GLU QB 5.000 . 6.000 2.616 2.337 2.841 . 0 0 "[ . 1 . 2]" 1
288 1 71 GLN HA 1 71 GLN QG 3.300 . 4.300 2.409 2.137 3.348 . 0 0 "[ . 1 . 2]" 1
289 1 71 GLN HA 1 74 TYR QB 5.000 . 6.000 2.353 2.095 2.529 . 0 0 "[ . 1 . 2]" 1
290 1 72 VAL HA 1 72 VAL QG 2.700 . 4.400 2.081 2.017 2.143 . 0 0 "[ . 1 . 2]" 1
291 1 72 VAL HA 1 75 ASP QB 3.300 . 4.300 2.718 2.493 3.084 . 0 0 "[ . 1 . 2]" 1
292 1 72 VAL QG 1 73 GLU HA 3.300 . 5.700 3.738 3.633 3.845 . 0 0 "[ . 1 . 2]" 1
293 1 72 VAL QG 1 75 ASP QB 5.000 . 8.400 3.272 3.115 3.539 . 0 0 "[ . 1 . 2]" 1
294 1 72 VAL QG 1 76 GLN QG 3.300 . 6.700 3.068 2.754 3.581 . 0 0 "[ . 1 . 2]" 1
295 1 73 GLU HA 1 73 GLU QG 3.300 . 4.300 2.334 2.103 2.526 . 0 0 "[ . 1 . 2]" 1
296 1 73 GLU HA 1 76 GLN QB 3.300 . 4.300 2.498 2.275 2.714 . 0 0 "[ . 1 . 2]" 1
297 1 73 GLU HA 1 76 GLN QG 3.300 . 4.300 2.585 1.983 3.679 . 0 0 "[ . 1 . 2]" 1
298 1 74 TYR HA 1 77 LEU QB 5.000 . 6.000 2.966 2.566 3.585 . 0 0 "[ . 1 . 2]" 1
299 1 74 TYR HA 1 78 THR MG 5.000 . 6.500 4.526 3.733 5.467 . 0 0 "[ . 1 . 2]" 1
300 1 75 ASP HA 1 78 THR MG 5.000 . 6.500 3.658 2.928 5.103 . 0 0 "[ . 1 . 2]" 1
301 1 76 GLN HA 1 76 GLN QG 2.700 . 3.700 2.550 2.251 3.038 . 0 0 "[ . 1 . 2]" 1
302 1 77 LEU HA 1 77 LEU QD 2.700 . 4.400 2.328 1.964 2.681 . 0 0 "[ . 1 . 2]" 1
303 1 77 LEU HA 1 77 LEU HG 3.300 . 3.300 2.779 2.559 3.144 . 0 0 "[ . 1 . 2]" 1
304 1 77 LEU QB 1 77 LEU QD 2.700 . 6.100 1.857 1.761 1.940 0.039 20 0 "[ . 1 . 2]" 1
305 1 78 THR HA 1 78 THR MG 2.700 . 4.200 2.196 1.982 2.649 . 0 0 "[ . 1 . 2]" 1
306 1 78 THR HA 1 79 PRO QD 2.700 . 3.700 2.535 1.908 3.518 . 0 0 "[ . 1 . 2]" 1
307 1 78 THR HA 1 79 PRO QG 5.000 . 6.000 4.394 3.820 5.291 . 0 0 "[ . 1 . 2]" 1
308 1 78 THR HB 1 79 PRO QD 3.300 . 4.300 2.515 1.772 3.687 0.028 13 0 "[ . 1 . 2]" 1
309 1 78 THR HB 1 79 PRO QG 5.000 . 6.000 4.193 3.255 5.290 . 0 0 "[ . 1 . 2]" 1
310 1 78 THR MG 1 79 PRO QD 3.300 . 5.800 3.087 1.873 3.712 . 0 0 "[ . 1 . 2]" 1
311 1 79 PRO HA 1 79 PRO QG 3.300 . 4.300 3.385 2.898 3.514 . 0 0 "[ . 1 . 2]" 1
312 2 1 ASP HA 2 4 ARG QB 5.000 . 6.000 4.457 2.755 5.395 . 0 0 "[ . 1 . 2]" 1
313 2 3 ASP HA 2 6 LEU QB 5.000 . 6.000 3.440 2.799 4.145 . 0 0 "[ . 1 . 2]" 1
314 2 4 ARG HA 2 4 ARG QG 3.300 . 4.300 2.435 2.107 3.342 . 0 0 "[ . 1 . 2]" 1
315 2 4 ARG HA 2 7 ARG QB 5.000 . 6.000 3.235 2.605 4.281 . 0 0 "[ . 1 . 2]" 1
316 2 4 ARG QB 2 4 ARG QD 3.300 . 5.300 2.086 1.940 2.401 . 0 0 "[ . 1 . 2]" 1
317 2 4 ARG QG 2 5 TYR HA 5.000 . 6.000 4.088 3.147 5.392 . 0 0 "[ . 1 . 2]" 1
318 2 5 TYR HA 2 8 GLU QB 5.000 . 6.000 2.378 2.191 2.655 . 0 0 "[ . 1 . 2]" 1
319 2 6 LEU HA 2 6 LEU QD 2.700 . 4.400 2.305 1.830 2.903 . 0 0 "[ . 1 . 2]" 1
320 2 6 LEU HA 2 9 ALA MB 3.300 . 4.800 3.556 3.346 3.807 . 0 0 "[ . 1 . 2]" 1
321 2 6 LEU QD 2 10 ILE MD 2.000 . 5.900 1.996 1.689 2.585 0.111 12 0 "[ . 1 . 2]" 1
322 2 7 ARG HA 2 10 ILE HB 5.000 . 5.000 2.166 2.065 2.377 . 0 0 "[ . 1 . 2]" 1
323 2 7 ARG HA 2 10 ILE MD 3.300 . 4.800 2.942 2.258 3.339 . 0 0 "[ . 1 . 2]" 1
324 2 7 ARG HA 2 10 ILE MG 3.300 . 4.800 3.326 3.149 3.500 . 0 0 "[ . 1 . 2]" 1
325 2 7 ARG QB 2 7 ARG QD 3.300 . 5.300 2.147 1.925 2.576 . 0 0 "[ . 1 . 2]" 1
326 2 8 GLU HA 2 8 GLU QG 3.300 . 4.300 2.393 2.037 2.967 . 0 0 "[ . 1 . 2]" 1
327 2 9 ALA HA 2 12 GLU QB 5.000 . 6.000 2.288 2.112 2.420 . 0 0 "[ . 1 . 2]" 1
328 2 10 ILE HA 2 10 ILE MG 2.700 . 4.200 2.514 2.444 2.617 . 0 0 "[ . 1 . 2]" 1
329 2 10 ILE HA 2 13 TYR QB 5.000 . 6.000 3.366 3.273 3.539 . 0 0 "[ . 1 . 2]" 1
330 2 10 ILE HB 2 10 ILE MD 2.700 . 4.200 2.370 2.208 2.450 . 0 0 "[ . 1 . 2]" 1
331 2 10 ILE MD 2 10 ILE QG 2.000 . 4.500 1.864 1.848 1.887 . 0 0 "[ . 1 . 2]" 1
332 2 10 ILE MD 2 10 ILE MG 2.000 . 5.000 1.937 1.767 2.214 0.033 12 0 "[ . 1 . 2]" 1
333 2 10 ILE QG 2 10 ILE MG 2.000 . 4.500 2.303 2.248 2.371 . 0 0 "[ . 1 . 2]" 1
334 2 10 ILE MG 2 11 GLN HA 5.000 . 6.500 3.083 2.943 3.196 . 0 0 "[ . 1 . 2]" 1
335 2 11 GLN HA 2 14 ASP QB 3.300 . 4.300 2.069 1.963 2.227 . 0 0 "[ . 1 . 2]" 1
336 2 12 GLU HA 2 12 GLU QG 3.300 . 4.300 2.385 2.115 2.794 . 0 0 "[ . 1 . 2]" 1
337 2 12 GLU HA 2 15 ASN QB 3.300 . 4.300 3.003 2.823 3.175 . 0 0 "[ . 1 . 2]" 1
338 2 13 TYR HA 2 16 ILE MD 3.300 . 4.800 2.050 1.875 3.789 . 0 0 "[ . 1 . 2]" 1
339 2 13 TYR HA 2 16 ILE QG 5.000 . 6.000 3.099 2.065 3.436 . 0 0 "[ . 1 . 2]" 1
340 2 16 ILE HA 2 16 ILE MD 3.300 . 4.800 3.794 1.963 3.933 . 0 0 "[ . 1 . 2]" 1
341 2 16 ILE HA 2 16 ILE QG 3.300 . 4.300 2.497 2.412 3.014 . 0 0 "[ . 1 . 2]" 1
342 2 16 ILE HA 2 16 ILE MG 2.700 . 4.200 2.352 2.192 2.420 . 0 0 "[ . 1 . 2]" 1
343 2 16 ILE HA 2 17 ALA MB 5.000 . 6.500 4.594 4.072 4.994 . 0 0 "[ . 1 . 2]" 1
344 2 16 ILE HB 2 16 ILE MD 2.700 . 4.200 2.233 2.083 3.216 . 0 0 "[ . 1 . 2]" 1
345 2 16 ILE MD 2 16 ILE QG 2.000 . 4.500 1.859 1.847 1.887 . 0 0 "[ . 1 . 2]" 1
346 2 16 ILE QG 2 16 ILE MG 2.000 . 4.500 2.151 2.007 2.292 . 0 0 "[ . 1 . 2]" 1
347 2 18 LYS HA 2 18 LYS QD 3.300 . 4.300 3.213 2.071 3.908 . 0 0 "[ . 1 . 2]" 1
348 2 18 LYS HA 2 18 LYS QG 3.300 . 4.300 2.495 2.017 3.458 . 0 0 "[ . 1 . 2]" 1
349 1 2 ASP HA 1 3 ARG H 2.900 . 2.900 2.559 2.141 2.906 0.006 20 0 "[ . 1 . 2]" 1
350 1 2 ASP HA 1 4 LYS H 5.000 . 5.000 4.186 3.439 4.937 . 0 0 "[ . 1 . 2]" 1
351 1 2 ASP H 1 2 ASP QB 3.500 . 4.100 2.636 2.067 3.208 . 0 0 "[ . 1 . 2]" 1
352 1 2 ASP QB 1 3 ARG H 5.000 . 6.000 3.748 2.682 4.043 . 0 0 "[ . 1 . 2]" 1
353 1 3 ARG H 1 3 ARG HA 2.900 . 2.900 2.859 2.271 2.939 0.039 5 0 "[ . 1 . 2]" 1
354 1 3 ARG H 1 3 ARG QB 3.500 . 4.100 2.783 2.341 3.431 . 0 0 "[ . 1 . 2]" 1
355 1 3 ARG QB 1 4 LYS H 2.900 . 3.900 2.794 2.347 3.538 . 0 0 "[ . 1 . 2]" 1
356 1 3 ARG H 1 3 ARG QG 3.500 . 4.500 3.380 2.033 4.095 . 0 0 "[ . 1 . 2]" 1
357 1 3 ARG H 1 4 LYS H 5.000 . 5.000 2.132 1.941 3.647 . 0 0 "[ . 1 . 2]" 1
358 1 4 LYS H 1 4 LYS HA 2.900 . 2.900 2.818 2.759 2.858 . 0 0 "[ . 1 . 2]" 1
359 1 4 LYS HA 1 5 VAL H 3.500 . 3.500 3.501 3.498 3.507 0.007 9 0 "[ . 1 . 2]" 1
360 1 4 LYS HA 1 7 ARG H 2.900 . 2.900 2.949 2.939 2.971 0.071 1 0 "[ . 1 . 2]" 1
361 1 4 LYS H 1 4 LYS QB 2.900 . 3.500 2.278 2.050 2.563 . 0 0 "[ . 1 . 2]" 1
362 1 4 LYS QB 1 5 VAL H 2.900 . 3.900 2.888 2.758 3.518 . 0 0 "[ . 1 . 2]" 1
363 1 4 LYS H 1 4 LYS QG 3.500 . 4.500 3.060 1.986 4.011 . 0 0 "[ . 1 . 2]" 1
364 1 5 VAL H 1 5 VAL HA 2.900 . 2.900 2.769 2.767 2.771 . 0 0 "[ . 1 . 2]" 1
365 1 5 VAL HA 1 6 ALA H 5.000 . 5.000 3.506 3.493 3.529 . 0 0 "[ . 1 . 2]" 1
366 1 5 VAL HA 1 8 GLU H 5.000 . 5.000 3.574 3.512 3.648 . 0 0 "[ . 1 . 2]" 1
367 1 5 VAL H 1 5 VAL HB 2.900 . 2.900 2.688 2.669 2.706 . 0 0 "[ . 1 . 2]" 1
368 1 5 VAL HB 1 6 ALA H 2.900 . 2.900 2.719 2.572 2.779 . 0 0 "[ . 1 . 2]" 1
369 1 5 VAL H 1 5 VAL QG 2.900 . 4.600 1.993 1.925 2.112 . 0 0 "[ . 1 . 2]" 1
370 1 5 VAL QG 1 6 ALA H 3.500 . 5.900 3.323 3.263 3.358 . 0 0 "[ . 1 . 2]" 1
371 1 5 VAL H 1 6 ALA H 3.500 . 3.500 2.736 2.719 2.769 . 0 0 "[ . 1 . 2]" 1
372 1 6 ALA H 1 6 ALA HA 2.900 . 2.900 2.854 2.844 2.856 . 0 0 "[ . 1 . 2]" 1
373 1 6 ALA HA 1 7 ARG H 3.500 . 3.500 3.524 3.507 3.542 0.042 1 0 "[ . 1 . 2]" 1
374 1 6 ALA MB 2 12 GLU H 5.000 . 6.500 4.424 4.162 4.704 . 0 0 "[ . 1 . 2]" 1
375 1 6 ALA H 1 6 ALA MB 2.900 . 4.000 2.202 2.096 2.254 . 0 0 "[ . 1 . 2]" 1
376 1 6 ALA MB 1 7 ARG H 2.900 . 4.400 2.631 2.535 2.774 . 0 0 "[ . 1 . 2]" 1
377 1 6 ALA H 1 7 ARG H 3.500 . 3.500 2.502 2.481 2.562 . 0 0 "[ . 1 . 2]" 1
378 1 7 ARG HA 1 10 ARG H 5.000 . 5.000 3.621 3.462 3.735 . 0 0 "[ . 1 . 2]" 1
379 1 7 ARG HA 1 11 HIS H 3.500 . 3.500 3.534 3.514 3.566 0.066 1 0 "[ . 1 . 2]" 1
380 1 7 ARG H 1 7 ARG HA 2.900 . 2.900 2.837 2.834 2.843 . 0 0 "[ . 1 . 2]" 1
381 1 7 ARG HA 1 8 GLU H 3.500 . 3.500 3.519 3.509 3.532 0.032 15 0 "[ . 1 . 2]" 1
382 1 7 ARG H 1 7 ARG QB 2.900 . 3.500 2.158 2.050 2.456 . 0 0 "[ . 1 . 2]" 1
383 1 7 ARG QB 1 8 GLU H 2.900 . 3.900 2.702 2.543 2.816 . 0 0 "[ . 1 . 2]" 1
384 1 7 ARG H 1 7 ARG QG 3.500 . 4.500 3.470 2.210 3.994 . 0 0 "[ . 1 . 2]" 1
385 1 7 ARG H 1 8 GLU H 2.900 . 2.900 2.593 2.569 2.631 . 0 0 "[ . 1 . 2]" 1
386 1 8 GLU HA 1 11 HIS H 3.500 . 3.500 3.531 3.522 3.541 0.041 18 0 "[ . 1 . 2]" 1
387 1 8 GLU H 1 8 GLU HA 2.900 . 2.900 2.850 2.843 2.855 . 0 0 "[ . 1 . 2]" 1
388 1 8 GLU HA 1 9 PHE H 5.000 . 5.000 3.544 3.486 3.562 . 0 0 "[ . 1 . 2]" 1
389 1 8 GLU H 1 8 GLU QB 2.900 . 3.500 2.306 2.067 2.612 . 0 0 "[ . 1 . 2]" 1
390 1 8 GLU QB 1 9 PHE H 3.500 . 4.500 2.607 2.365 3.538 . 0 0 "[ . 1 . 2]" 1
391 1 8 GLU H 1 8 GLU QG 2.900 . 3.900 2.648 1.954 3.502 . 0 0 "[ . 1 . 2]" 1
392 1 8 GLU H 1 10 ARG H 5.000 . 5.000 3.928 3.774 4.110 . 0 0 "[ . 1 . 2]" 1
393 1 8 GLU H 1 9 PHE H 3.500 . 3.500 2.589 2.488 2.648 . 0 0 "[ . 1 . 2]" 1
394 1 9 PHE HA 1 10 ARG H 5.000 . 5.000 3.526 3.503 3.544 . 0 0 "[ . 1 . 2]" 1
395 1 9 PHE HA 1 12 LYS H 5.000 . 5.000 3.759 3.671 3.827 . 0 0 "[ . 1 . 2]" 1
396 1 9 PHE H 1 9 PHE HA 2.900 . 2.900 2.826 2.801 2.872 . 0 0 "[ . 1 . 2]" 1
397 1 9 PHE QB 1 10 ARG H 3.500 . 4.500 2.583 2.466 2.719 . 0 0 "[ . 1 . 2]" 1
398 1 9 PHE H 1 9 PHE QB 2.900 . 3.500 2.258 2.242 2.286 . 0 0 "[ . 1 . 2]" 1
399 1 9 PHE QD 1 10 ARG H 3.500 . 5.500 3.906 3.462 4.242 . 0 0 "[ . 1 . 2]" 1
400 1 9 PHE QD 1 62 ILE H 5.000 . 7.000 5.186 4.748 5.603 . 0 0 "[ . 1 . 2]" 1
401 1 9 PHE H 1 9 PHE QD 3.500 . 5.500 4.174 4.124 4.194 . 0 0 "[ . 1 . 2]" 1
402 1 9 PHE H 1 10 ARG H 3.500 . 3.500 2.601 2.446 2.697 . 0 0 "[ . 1 . 2]" 1
403 1 10 ARG HA 1 11 HIS H 5.000 . 5.000 3.554 3.522 3.569 . 0 0 "[ . 1 . 2]" 1
404 1 10 ARG HA 1 13 VAL H 5.000 . 5.000 3.719 3.524 3.970 . 0 0 "[ . 1 . 2]" 1
405 1 10 ARG H 1 10 ARG QB 3.500 . 4.100 2.281 2.113 2.551 . 0 0 "[ . 1 . 2]" 1
406 1 10 ARG QB 1 11 HIS H 3.500 . 4.500 2.620 2.363 3.511 . 0 0 "[ . 1 . 2]" 1
407 1 10 ARG H 1 11 HIS H 2.900 . 2.900 2.571 2.483 2.647 . 0 0 "[ . 1 . 2]" 1
408 1 11 HIS H 1 11 HIS HA 2.900 . 2.900 2.817 2.797 2.854 . 0 0 "[ . 1 . 2]" 1
409 1 11 HIS HA 1 12 LYS H 5.000 . 5.000 3.540 3.500 3.559 . 0 0 "[ . 1 . 2]" 1
410 1 11 HIS HA 1 14 ASP H 3.500 . 3.500 3.527 3.513 3.559 0.059 6 0 "[ . 1 . 2]" 1
411 1 11 HIS H 1 11 HIS QB 2.900 . 3.500 2.250 2.172 2.320 . 0 0 "[ . 1 . 2]" 1
412 1 11 HIS QB 1 12 LYS H 3.500 . 4.500 2.550 2.431 2.719 . 0 0 "[ . 1 . 2]" 1
413 1 11 HIS H 1 11 HIS HD2 5.000 . 5.000 4.698 2.520 5.007 0.007 7 0 "[ . 1 . 2]" 1
414 1 11 HIS HD2 1 12 LYS H 5.000 . 5.000 4.672 4.550 5.027 0.027 6 0 "[ . 1 . 2]" 1
415 1 12 LYS H 1 12 LYS HA 2.900 . 2.900 2.804 2.798 2.834 . 0 0 "[ . 1 . 2]" 1
416 1 12 LYS HA 1 13 VAL H 5.000 . 5.000 3.564 3.547 3.570 . 0 0 "[ . 1 . 2]" 1
417 1 12 LYS HA 1 15 PHE H 3.500 . 3.500 3.269 3.211 3.356 . 0 0 "[ . 1 . 2]" 1
418 1 12 LYS H 1 12 LYS QB 2.900 . 3.500 2.147 2.039 2.282 . 0 0 "[ . 1 . 2]" 1
419 1 12 LYS QB 1 13 VAL H 3.500 . 4.500 2.449 2.299 2.702 . 0 0 "[ . 1 . 2]" 1
420 1 12 LYS H 1 12 LYS QG 2.900 . 3.900 3.063 2.631 3.609 . 0 0 "[ . 1 . 2]" 1
421 1 12 LYS H 1 13 VAL QG 5.000 . 7.400 4.112 3.965 4.240 . 0 0 "[ . 1 . 2]" 1
422 1 12 LYS H 1 13 VAL H 3.500 . 3.500 2.803 2.675 2.868 . 0 0 "[ . 1 . 2]" 1
423 1 13 VAL H 1 13 VAL HA 2.900 . 2.900 2.770 2.764 2.791 . 0 0 "[ . 1 . 2]" 1
424 1 13 VAL HA 1 14 ASP H 3.500 . 3.500 3.523 3.515 3.561 0.061 6 0 "[ . 1 . 2]" 1
425 1 13 VAL HA 1 17 ILE H 5.000 . 5.000 3.847 3.710 4.139 . 0 0 "[ . 1 . 2]" 1
426 1 13 VAL H 1 13 VAL HB 2.900 . 2.900 2.637 2.590 2.677 . 0 0 "[ . 1 . 2]" 1
427 1 13 VAL HB 1 14 ASP H 2.900 . 2.900 2.664 2.383 2.728 . 0 0 "[ . 1 . 2]" 1
428 1 13 VAL H 1 13 VAL QG 2.900 . 4.600 1.964 1.931 2.056 . 0 0 "[ . 1 . 2]" 1
429 1 13 VAL QG 1 14 ASP H 3.500 . 5.900 3.273 3.098 3.318 . 0 0 "[ . 1 . 2]" 1
430 1 13 VAL H 1 14 ASP H 2.900 . 2.900 2.765 2.709 2.878 . 0 0 "[ . 1 . 2]" 1
431 1 14 ASP H 1 14 ASP HA 2.900 . 2.900 2.851 2.835 2.858 . 0 0 "[ . 1 . 2]" 1
432 1 14 ASP HA 1 15 PHE H 3.500 . 3.500 3.477 3.414 3.497 . 0 0 "[ . 1 . 2]" 1
433 1 14 ASP HA 1 17 ILE H 3.500 . 3.500 3.478 3.230 3.524 0.024 18 0 "[ . 1 . 2]" 1
434 1 14 ASP H 1 14 ASP QB 2.900 . 3.500 2.282 2.095 2.551 . 0 0 "[ . 1 . 2]" 1
435 1 14 ASP QB 1 15 PHE H 3.500 . 4.500 2.958 2.822 3.745 . 0 0 "[ . 1 . 2]" 1
436 1 14 ASP H 1 15 PHE H 2.900 . 2.900 2.509 2.479 2.550 . 0 0 "[ . 1 . 2]" 1
437 1 15 PHE H 1 15 PHE HA 2.900 . 2.900 2.844 2.842 2.846 . 0 0 "[ . 1 . 2]" 1
438 1 15 PHE HA 1 16 LEU H 5.000 . 5.000 3.484 3.467 3.540 . 0 0 "[ . 1 . 2]" 1
439 1 15 PHE HA 1 18 GLU H 5.000 . 5.000 4.793 4.457 5.013 0.013 9 0 "[ . 1 . 2]" 1
440 1 15 PHE H 1 15 PHE QB 2.900 . 3.500 2.140 2.057 2.267 . 0 0 "[ . 1 . 2]" 1
441 1 15 PHE QB 1 16 LEU H 2.900 . 3.900 2.783 2.422 2.908 . 0 0 "[ . 1 . 2]" 1
442 1 15 PHE H 1 15 PHE QD 5.000 . 7.000 3.828 2.997 4.189 . 0 0 "[ . 1 . 2]" 1
443 1 15 PHE QD 1 16 LEU H 5.000 . 7.000 4.420 4.045 4.713 . 0 0 "[ . 1 . 2]" 1
444 1 15 PHE H 1 16 LEU QB 5.000 . 6.000 4.914 4.852 5.097 . 0 0 "[ . 1 . 2]" 1
445 1 15 PHE H 1 16 LEU QD 5.000 . 7.400 4.071 3.678 4.145 . 0 0 "[ . 1 . 2]" 1
446 1 15 PHE H 1 16 LEU HG 3.500 . 3.500 3.578 3.556 3.596 0.096 7 0 "[ . 1 . 2]" 1
447 1 15 PHE H 1 16 LEU H 2.900 . 2.900 2.498 2.471 2.650 . 0 0 "[ . 1 . 2]" 1
448 1 15 PHE H 1 17 ILE H 5.000 . 5.000 4.132 3.887 4.291 . 0 0 "[ . 1 . 2]" 1
449 1 16 LEU H 1 16 LEU HA 2.900 . 2.900 2.900 2.802 2.914 0.014 12 0 "[ . 1 . 2]" 1
450 1 16 LEU HA 1 17 ILE H 3.500 . 3.500 3.538 3.503 3.551 0.051 2 0 "[ . 1 . 2]" 1
451 1 16 LEU H 1 16 LEU QB 2.900 . 3.500 2.750 2.708 2.801 . 0 0 "[ . 1 . 2]" 1
452 1 16 LEU QB 1 17 ILE H 3.500 . 4.500 2.458 2.303 3.244 . 0 0 "[ . 1 . 2]" 1
453 1 16 LEU H 1 16 LEU QD 3.500 . 5.200 2.864 2.379 2.941 . 0 0 "[ . 1 . 2]" 1
454 1 16 LEU QD 1 59 PHE H 5.000 . 7.400 4.900 4.535 5.332 . 0 0 "[ . 1 . 2]" 1
455 1 16 LEU H 1 16 LEU HG 2.900 . 2.900 1.856 1.790 1.903 0.010 18 0 "[ . 1 . 2]" 1
456 1 16 LEU H 1 17 ILE H 2.900 . 2.900 2.407 2.236 2.686 . 0 0 "[ . 1 . 2]" 1
457 1 17 ILE HA 1 18 GLU H 3.500 . 3.500 3.542 3.534 3.552 0.052 17 0 "[ . 1 . 2]" 1
458 1 17 ILE HA 1 19 ASN H 3.500 . 3.500 3.588 3.561 3.610 0.110 14 0 "[ . 1 . 2]" 1
459 1 17 ILE H 1 17 ILE HB 2.900 . 2.900 2.510 2.259 2.762 . 0 0 "[ . 1 . 2]" 1
460 1 17 ILE HB 1 18 GLU H 2.900 . 2.900 2.244 2.011 2.616 . 0 0 "[ . 1 . 2]" 1
461 1 17 ILE H 1 17 ILE MD 5.000 . 6.500 2.531 1.922 3.630 . 0 0 "[ . 1 . 2]" 1
462 1 17 ILE MD 1 18 GLU H 5.000 . 6.500 4.051 3.523 4.502 . 0 0 "[ . 1 . 2]" 1
463 1 17 ILE H 1 17 ILE QG 2.900 . 3.900 2.720 1.942 3.490 . 0 0 "[ . 1 . 2]" 1
464 1 17 ILE QG 1 19 ASN H 3.500 . 4.500 4.171 4.134 4.218 . 0 0 "[ . 1 . 2]" 1
465 1 17 ILE H 1 17 ILE MG 2.900 . 4.400 3.753 3.672 3.795 . 0 0 "[ . 1 . 2]" 1
466 1 17 ILE MG 1 18 GLU H 2.900 . 4.400 3.105 2.591 3.488 . 0 0 "[ . 1 . 2]" 1
467 1 17 ILE MG 1 19 ASN H 2.900 . 4.400 1.819 1.633 2.210 0.167 16 0 "[ . 1 . 2]" 1
468 1 17 ILE MG 1 22 GLU H 5.000 . 6.500 3.479 3.309 3.661 . 0 0 "[ . 1 . 2]" 1
469 1 17 ILE MG 1 23 LYS H 3.500 . 5.000 2.712 2.397 3.115 . 0 0 "[ . 1 . 2]" 1
470 1 17 ILE MG 1 24 ASP H 5.000 . 6.500 4.907 4.573 5.296 . 0 0 "[ . 1 . 2]" 1
471 1 18 GLU H 1 18 GLU HA 2.900 . 2.900 2.238 2.232 2.259 . 0 0 "[ . 1 . 2]" 1
472 1 18 GLU HA 1 19 ASN H 2.900 . 2.900 3.135 3.124 3.145 0.245 3 0 "[ . 1 . 2]" 1
473 1 18 GLU H 1 18 GLU QB 2.900 . 3.500 3.135 2.938 3.386 . 0 0 "[ . 1 . 2]" 1
474 1 18 GLU QB 1 19 ASN H 2.900 . 3.900 3.474 3.446 3.667 . 0 0 "[ . 1 . 2]" 1
475 1 18 GLU H 1 18 GLU QG 3.500 . 4.500 3.511 2.331 4.171 . 0 0 "[ . 1 . 2]" 1
476 1 18 GLU QG 1 19 ASN H 3.500 . 4.500 4.029 3.272 4.142 . 0 0 "[ . 1 . 2]" 1
477 1 18 GLU H 1 19 ASN H 2.900 . 2.900 2.623 2.499 2.787 . 0 0 "[ . 1 . 2]" 1
478 1 19 ASN H 1 19 ASN HA 2.900 . 2.900 2.931 2.910 2.941 0.041 15 0 "[ . 1 . 2]" 1
479 1 19 ASN HA 1 20 ASP H 2.900 . 2.900 2.499 2.153 2.784 . 0 0 "[ . 1 . 2]" 1
480 1 19 ASN HA 1 21 ALA H 5.000 . 5.000 4.604 4.100 4.953 . 0 0 "[ . 1 . 2]" 1
481 1 19 ASN H 1 19 ASN QB 2.900 . 3.500 2.358 2.216 2.575 . 0 0 "[ . 1 . 2]" 1
482 1 19 ASN QB 1 20 ASP H 2.900 . 3.900 2.659 2.082 3.418 . 0 0 "[ . 1 . 2]" 1
483 1 19 ASN H 1 20 ASP H 5.000 . 5.000 4.470 4.336 4.556 . 0 0 "[ . 1 . 2]" 1
484 1 20 ASP H 1 20 ASP HA 2.900 . 2.900 2.914 2.792 2.939 0.039 9 0 "[ . 1 . 2]" 1
485 1 20 ASP HA 1 23 LYS H 3.500 . 3.500 3.510 3.505 3.526 0.026 14 0 "[ . 1 . 2]" 1
486 1 20 ASP HA 1 24 ASP H 5.000 . 5.000 4.037 3.838 4.265 . 0 0 "[ . 1 . 2]" 1
487 1 20 ASP H 1 20 ASP QB 2.900 . 3.500 2.367 2.116 2.675 . 0 0 "[ . 1 . 2]" 1
488 1 20 ASP QB 1 21 ALA H 3.500 . 4.500 2.521 2.376 3.147 . 0 0 "[ . 1 . 2]" 1
489 1 20 ASP H 1 21 ALA H 3.500 . 3.500 2.293 2.057 2.773 . 0 0 "[ . 1 . 2]" 1
490 1 21 ALA H 1 21 ALA HA 2.900 . 2.900 2.785 2.763 2.798 . 0 0 "[ . 1 . 2]" 1
491 1 21 ALA HA 1 22 GLU H 3.500 . 3.500 3.531 3.512 3.550 0.050 4 0 "[ . 1 . 2]" 1
492 1 21 ALA HA 1 24 ASP H 3.500 . 3.500 3.503 3.455 3.524 0.024 16 0 "[ . 1 . 2]" 1
493 1 21 ALA H 1 21 ALA MB 2.900 . 4.000 2.172 2.078 2.236 . 0 0 "[ . 1 . 2]" 1
494 1 21 ALA MB 1 22 GLU H 2.900 . 4.400 2.537 2.383 2.693 . 0 0 "[ . 1 . 2]" 1
495 1 21 ALA H 1 22 GLU H 2.900 . 2.900 2.760 2.695 2.866 . 0 0 "[ . 1 . 2]" 1
496 1 22 GLU HA 1 23 LYS H 5.000 . 5.000 3.554 3.543 3.565 . 0 0 "[ . 1 . 2]" 1
497 1 22 GLU HA 1 25 TYR H 3.500 . 3.500 3.497 3.126 3.531 0.031 14 0 "[ . 1 . 2]" 1
498 1 22 GLU HA 1 26 LEU H 5.000 . 5.000 3.981 3.892 4.084 . 0 0 "[ . 1 . 2]" 1
499 1 22 GLU H 1 22 GLU QB 2.900 . 3.500 2.216 2.097 2.456 . 0 0 "[ . 1 . 2]" 1
500 1 22 GLU QB 1 23 LYS H 3.500 . 4.500 2.563 2.463 2.627 . 0 0 "[ . 1 . 2]" 1
501 1 22 GLU H 1 22 GLU QG 2.900 . 3.900 2.991 2.215 3.527 . 0 0 "[ . 1 . 2]" 1
502 1 22 GLU QG 1 23 LYS H 5.000 . 6.000 4.321 4.014 4.484 . 0 0 "[ . 1 . 2]" 1
503 1 22 GLU H 1 23 LYS H 2.900 . 2.900 2.666 2.607 2.733 . 0 0 "[ . 1 . 2]" 1
504 1 23 LYS HA 1 24 ASP H 5.000 . 5.000 3.491 3.461 3.502 . 0 0 "[ . 1 . 2]" 1
505 1 23 LYS HA 1 26 LEU H 3.500 . 3.500 3.399 3.340 3.453 . 0 0 "[ . 1 . 2]" 1
506 1 23 LYS HA 1 27 TYR H 3.500 . 3.500 3.564 3.545 3.582 0.082 18 0 "[ . 1 . 2]" 1
507 1 23 LYS H 1 23 LYS QB 2.900 . 3.500 2.148 2.045 2.585 . 0 0 "[ . 1 . 2]" 1
508 1 23 LYS QB 1 24 ASP H 3.500 . 4.500 2.844 2.748 3.546 . 0 0 "[ . 1 . 2]" 1
509 1 23 LYS H 1 23 LYS QG 3.500 . 4.500 3.658 2.134 3.964 . 0 0 "[ . 1 . 2]" 1
510 1 23 LYS QG 1 24 ASP H 5.000 . 6.000 4.243 2.201 4.493 . 0 0 "[ . 1 . 2]" 1
511 1 23 LYS H 1 24 ASP H 2.900 . 2.900 2.583 2.521 2.619 . 0 0 "[ . 1 . 2]" 1
512 1 24 ASP H 1 24 ASP HA 2.900 . 2.900 2.815 2.810 2.829 . 0 0 "[ . 1 . 2]" 1
513 1 24 ASP HA 1 25 TYR H 5.000 . 5.000 3.560 3.547 3.598 . 0 0 "[ . 1 . 2]" 1
514 1 24 ASP HA 1 27 TYR H 5.000 . 5.000 3.681 3.601 3.722 . 0 0 "[ . 1 . 2]" 1
515 1 24 ASP H 1 24 ASP QB 2.900 . 3.500 2.139 2.052 2.249 . 0 0 "[ . 1 . 2]" 1
516 1 24 ASP QB 1 25 TYR H 2.900 . 3.900 2.443 2.298 2.589 . 0 0 "[ . 1 . 2]" 1
517 1 24 ASP H 1 25 TYR H 2.900 . 2.900 2.710 2.662 2.756 . 0 0 "[ . 1 . 2]" 1
518 1 25 TYR H 1 25 TYR HA 2.900 . 2.900 2.835 2.831 2.840 . 0 0 "[ . 1 . 2]" 1
519 1 25 TYR HA 1 26 LEU H 5.000 . 5.000 3.560 3.484 3.575 . 0 0 "[ . 1 . 2]" 1
520 1 25 TYR HA 1 28 ASP H 2.900 . 2.900 3.018 3.012 3.031 0.131 18 0 "[ . 1 . 2]" 1
521 1 25 TYR H 1 25 TYR QB 2.900 . 3.500 2.286 2.264 2.635 . 0 0 "[ . 1 . 2]" 1
522 1 25 TYR QB 1 26 LEU H 2.900 . 3.900 2.554 2.439 3.600 . 0 0 "[ . 1 . 2]" 1
523 1 25 TYR H 1 25 TYR QD 5.000 . 7.000 4.157 3.236 4.212 . 0 0 "[ . 1 . 2]" 1
524 1 25 TYR QD 1 26 LEU H 3.500 . 5.500 3.517 2.199 4.078 . 0 0 "[ . 1 . 2]" 1
525 1 25 TYR QE 1 26 LEU H 5.000 . 7.000 5.534 3.770 5.880 . 0 0 "[ . 1 . 2]" 1
526 1 25 TYR QE 1 49 VAL H 5.000 . 7.000 4.492 4.141 5.404 . 0 0 "[ . 1 . 2]" 1
527 1 25 TYR H 1 26 LEU H 2.900 . 2.900 2.671 2.619 2.707 . 0 0 "[ . 1 . 2]" 1
528 1 26 LEU H 1 26 LEU HA 2.900 . 2.900 2.806 2.800 2.858 . 0 0 "[ . 1 . 2]" 1
529 1 26 LEU HA 1 27 TYR H 5.000 . 5.000 3.523 3.509 3.540 . 0 0 "[ . 1 . 2]" 1
530 1 26 LEU HA 1 29 VAL H 2.900 . 2.900 2.984 2.968 3.012 0.112 17 0 "[ . 1 . 2]" 1
531 1 26 LEU H 1 26 LEU QB 2.900 . 3.500 2.230 2.152 2.267 . 0 0 "[ . 1 . 2]" 1
532 1 26 LEU QB 1 27 TYR H 2.900 . 3.900 2.535 2.405 2.623 . 0 0 "[ . 1 . 2]" 1
533 1 26 LEU H 1 26 LEU QD 3.500 . 5.200 3.730 3.632 3.778 . 0 0 "[ . 1 . 2]" 1
534 1 26 LEU QD 1 27 TYR H 3.500 . 5.900 3.589 3.083 3.894 . 0 0 "[ . 1 . 2]" 1
535 1 26 LEU HG 1 27 TYR H 5.000 . 5.000 4.312 3.627 5.020 0.020 12 0 "[ . 1 . 2]" 1
536 1 26 LEU H 1 27 TYR H 3.500 . 3.500 2.644 2.523 2.688 . 0 0 "[ . 1 . 2]" 1
537 1 26 LEU H 1 28 ASP H 5.000 . 5.000 3.795 3.535 3.858 . 0 0 "[ . 1 . 2]" 1
538 1 26 LEU H 1 49 VAL QG 5.000 . 7.400 3.610 3.315 3.854 . 0 0 "[ . 1 . 2]" 1
539 1 27 TYR HA 1 28 ASP H 5.000 . 5.000 3.508 3.490 3.518 . 0 0 "[ . 1 . 2]" 1
540 1 27 TYR HA 1 30 LEU H 5.000 . 5.000 3.636 3.526 3.732 . 0 0 "[ . 1 . 2]" 1
541 1 27 TYR H 1 27 TYR QB 2.900 . 3.500 2.135 2.093 2.175 . 0 0 "[ . 1 . 2]" 1
542 1 27 TYR QB 1 28 ASP H 3.500 . 4.500 2.838 2.796 2.920 . 0 0 "[ . 1 . 2]" 1
543 1 27 TYR H 1 27 TYR QD 2.900 . 4.900 3.445 3.330 3.600 . 0 0 "[ . 1 . 2]" 1
544 1 27 TYR QD 1 28 ASP H 5.000 . 7.000 4.696 4.659 4.741 . 0 0 "[ . 1 . 2]" 1
545 1 27 TYR H 1 28 ASP H 3.500 . 3.500 2.549 2.532 2.567 . 0 0 "[ . 1 . 2]" 1
546 1 28 ASP H 1 28 ASP HA 2.900 . 2.900 2.857 2.852 2.861 . 0 0 "[ . 1 . 2]" 1
547 1 28 ASP HA 1 29 VAL H 5.000 . 5.000 3.520 3.505 3.533 . 0 0 "[ . 1 . 2]" 1
548 1 28 ASP HA 1 31 ARG H 5.000 . 5.000 3.457 3.320 3.604 . 0 0 "[ . 1 . 2]" 1
549 1 28 ASP HA 1 32 MET H 5.000 . 5.000 4.036 3.848 4.346 . 0 0 "[ . 1 . 2]" 1
550 1 28 ASP H 1 28 ASP QB 2.900 . 3.500 2.163 2.071 2.260 . 0 0 "[ . 1 . 2]" 1
551 1 28 ASP QB 1 29 VAL H 3.500 . 4.500 2.803 2.734 2.914 . 0 0 "[ . 1 . 2]" 1
552 1 28 ASP H 1 29 VAL H 2.900 . 2.900 2.481 2.469 2.496 . 0 0 "[ . 1 . 2]" 1
553 1 28 ASP H 1 31 ARG H 5.000 . 5.000 4.707 4.628 4.800 . 0 0 "[ . 1 . 2]" 1
554 1 29 VAL H 1 29 VAL HA 2.900 . 2.900 2.826 2.816 2.848 . 0 0 "[ . 1 . 2]" 1
555 1 29 VAL HA 1 30 LEU H 5.000 . 5.000 3.563 3.551 3.571 . 0 0 "[ . 1 . 2]" 1
556 1 29 VAL HA 1 32 MET H 3.500 . 3.500 3.516 3.489 3.528 0.028 17 0 "[ . 1 . 2]" 1
557 1 29 VAL H 1 29 VAL HB 2.900 . 2.900 2.570 2.508 2.643 . 0 0 "[ . 1 . 2]" 1
558 1 29 VAL HB 1 30 LEU H 3.500 . 3.500 2.376 2.294 2.492 . 0 0 "[ . 1 . 2]" 1
559 1 29 VAL H 1 29 VAL QG 2.900 . 4.600 2.141 1.950 2.255 . 0 0 "[ . 1 . 2]" 1
560 1 29 VAL QG 1 30 LEU H 2.900 . 5.300 3.088 3.015 3.215 . 0 0 "[ . 1 . 2]" 1
561 1 29 VAL QG 1 45 ASP H 3.500 . 5.900 3.482 3.346 3.620 . 0 0 "[ . 1 . 2]" 1
562 1 29 VAL QG 1 46 LEU H 3.500 . 5.900 2.925 2.438 3.332 . 0 0 "[ . 1 . 2]" 1
563 1 29 VAL H 1 30 LEU H 2.900 . 2.900 2.735 2.617 2.789 . 0 0 "[ . 1 . 2]" 1
564 1 30 LEU HA 1 31 ARG H 3.500 . 3.500 3.516 3.497 3.535 0.035 19 0 "[ . 1 . 2]" 1
565 1 30 LEU HA 1 33 TYR H 3.500 . 3.500 3.358 3.226 3.505 0.005 20 0 "[ . 1 . 2]" 1
566 1 30 LEU H 1 30 LEU QB 3.500 . 4.100 2.475 2.296 2.594 . 0 0 "[ . 1 . 2]" 1
567 1 30 LEU QB 1 31 ARG H 5.000 . 6.000 2.601 2.438 2.725 . 0 0 "[ . 1 . 2]" 1
568 1 30 LEU H 1 30 LEU QD 2.900 . 4.600 2.928 2.468 3.262 . 0 0 "[ . 1 . 2]" 1
569 1 30 LEU QD 1 31 ARG H 5.000 . 7.400 3.961 3.722 4.150 . 0 0 "[ . 1 . 2]" 1
570 1 30 LEU H 1 30 LEU HG 2.900 . 2.900 2.245 1.998 2.819 . 0 0 "[ . 1 . 2]" 1
571 1 30 LEU H 1 31 ARG H 5.000 . 5.000 2.635 2.583 2.675 . 0 0 "[ . 1 . 2]" 1
572 1 31 ARG HA 1 32 MET H 5.000 . 5.000 3.534 3.494 3.556 . 0 0 "[ . 1 . 2]" 1
573 1 31 ARG HA 1 34 HIS H 5.000 . 5.000 3.633 3.459 3.756 . 0 0 "[ . 1 . 2]" 1
574 1 31 ARG H 1 31 ARG QB 2.900 . 3.500 2.127 2.040 2.254 . 0 0 "[ . 1 . 2]" 1
575 1 31 ARG QB 1 32 MET H 3.500 . 4.500 2.650 2.483 2.807 . 0 0 "[ . 1 . 2]" 1
576 1 31 ARG H 2 10 ILE MD 5.000 . 6.500 4.543 4.109 5.063 . 0 0 "[ . 1 . 2]" 1
577 1 31 ARG H 1 32 MET H 3.500 . 3.500 2.664 2.557 2.738 . 0 0 "[ . 1 . 2]" 1
578 1 32 MET H 1 32 MET HA 2.900 . 2.900 2.851 2.825 2.873 . 0 0 "[ . 1 . 2]" 1
579 1 32 MET HA 1 33 TYR H 5.000 . 5.000 3.524 3.473 3.563 . 0 0 "[ . 1 . 2]" 1
580 1 32 MET HA 1 35 GLN H 3.500 . 3.500 3.298 3.156 3.441 . 0 0 "[ . 1 . 2]" 1
581 1 32 MET H 1 32 MET QB 2.900 . 3.500 2.137 2.054 2.499 . 0 0 "[ . 1 . 2]" 1
582 1 32 MET QB 1 33 TYR H 2.900 . 3.900 2.844 2.482 3.567 . 0 0 "[ . 1 . 2]" 1
583 1 32 MET H 1 32 MET QG 2.900 . 3.900 3.250 2.296 3.589 . 0 0 "[ . 1 . 2]" 1
584 1 32 MET H 1 33 TYR H 2.900 . 2.900 2.535 2.393 2.688 . 0 0 "[ . 1 . 2]" 1
585 1 32 MET H 1 35 GLN H 5.000 . 5.000 4.836 4.574 5.008 0.008 13 0 "[ . 1 . 2]" 1
586 1 33 TYR HA 1 36 THR H 5.000 . 5.000 4.056 3.637 4.413 . 0 0 "[ . 1 . 2]" 1
587 1 33 TYR HA 1 37 MET H 5.000 . 5.000 3.162 2.584 3.546 . 0 0 "[ . 1 . 2]" 1
588 1 33 TYR HA 1 38 ASP H 5.000 . 5.000 2.796 2.302 3.359 . 0 0 "[ . 1 . 2]" 1
589 1 33 TYR H 1 33 TYR QB 2.900 . 3.500 2.227 2.176 2.247 . 0 0 "[ . 1 . 2]" 1
590 1 33 TYR QB 1 34 HIS H 5.000 . 6.000 2.834 2.622 3.090 . 0 0 "[ . 1 . 2]" 1
591 1 33 TYR H 1 33 TYR QD 3.500 . 5.500 4.170 3.997 4.193 . 0 0 "[ . 1 . 2]" 1
592 1 33 TYR QD 1 36 THR H 5.000 . 7.000 5.572 4.869 6.290 . 0 0 "[ . 1 . 2]" 1
593 1 33 TYR QD 1 37 MET H 5.000 . 7.000 3.875 3.309 4.976 . 0 0 "[ . 1 . 2]" 1
594 1 33 TYR QD 1 38 ASP H 2.900 . 4.900 2.505 1.990 3.524 . 0 0 "[ . 1 . 2]" 1
595 1 33 TYR QD 1 39 VAL H 5.000 . 7.000 4.203 3.778 4.547 . 0 0 "[ . 1 . 2]" 1
596 1 33 TYR QD 1 42 LEU H 5.000 . 7.000 3.993 2.652 5.256 . 0 0 "[ . 1 . 2]" 1
597 1 33 TYR QE 1 37 MET H 5.000 . 7.000 5.178 4.497 5.992 . 0 0 "[ . 1 . 2]" 1
598 1 33 TYR QE 1 38 ASP H 5.000 . 7.000 3.815 2.730 4.739 . 0 0 "[ . 1 . 2]" 1
599 1 33 TYR QE 1 39 VAL H 5.000 . 7.000 3.168 2.572 4.540 . 0 0 "[ . 1 . 2]" 1
600 1 33 TYR H 1 34 HIS H 3.500 . 3.500 2.660 2.560 2.772 . 0 0 "[ . 1 . 2]" 1
601 1 33 TYR H 1 35 GLN H 5.000 . 5.000 4.189 3.928 4.540 . 0 0 "[ . 1 . 2]" 1
602 1 33 TYR H 1 42 LEU QB 5.000 . 6.000 4.570 3.885 5.281 . 0 0 "[ . 1 . 2]" 1
603 1 33 TYR H 1 42 LEU QD 5.000 . 7.400 4.704 3.620 5.319 . 0 0 "[ . 1 . 2]" 1
604 1 34 HIS H 1 34 HIS QB 3.500 . 4.100 2.243 2.071 2.300 . 0 0 "[ . 1 . 2]" 1
605 1 34 HIS QB 1 35 GLN H 3.500 . 4.500 2.692 2.404 2.899 . 0 0 "[ . 1 . 2]" 1
606 1 34 HIS H 2 10 ILE MD 5.000 . 6.500 3.578 3.202 3.776 . 0 0 "[ . 1 . 2]" 1
607 1 34 HIS H 2 10 ILE QG 5.000 . 6.000 5.200 4.953 5.362 . 0 0 "[ . 1 . 2]" 1
608 1 34 HIS H 1 35 GLN H 5.000 . 5.000 2.497 2.333 2.648 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLN H 1 35 GLN HA 2.900 . 2.900 2.868 2.851 2.871 . 0 0 "[ . 1 . 2]" 1
610 1 35 GLN HA 1 36 THR H 3.500 . 3.500 3.554 3.549 3.560 0.060 4 0 "[ . 1 . 2]" 1
611 1 35 GLN H 1 35 GLN QB 2.900 . 3.500 2.147 2.078 2.281 . 0 0 "[ . 1 . 2]" 1
612 1 35 GLN QB 1 36 THR H 2.900 . 3.900 2.249 2.114 2.379 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLN H 1 35 GLN QG 3.500 . 4.500 3.560 2.641 4.030 . 0 0 "[ . 1 . 2]" 1
614 1 35 GLN QG 1 36 THR H 5.000 . 6.000 4.038 3.284 4.223 . 0 0 "[ . 1 . 2]" 1
615 1 35 GLN H 1 36 THR MG 5.000 . 6.500 3.813 3.676 3.977 . 0 0 "[ . 1 . 2]" 1
616 1 35 GLN H 1 36 THR H 2.900 . 2.900 2.699 2.593 2.756 . 0 0 "[ . 1 . 2]" 1
617 1 35 GLN H 1 37 MET H 5.000 . 5.000 3.593 3.470 3.748 . 0 0 "[ . 1 . 2]" 1
618 1 36 THR H 1 36 THR HA 2.900 . 2.900 2.853 2.819 2.871 . 0 0 "[ . 1 . 2]" 1
619 1 36 THR HA 1 37 MET H 5.000 . 5.000 3.484 3.445 3.531 . 0 0 "[ . 1 . 2]" 1
620 1 36 THR H 1 36 THR HB 2.900 . 2.900 2.687 2.514 2.840 . 0 0 "[ . 1 . 2]" 1
621 1 36 THR HB 1 38 ASP H 5.000 . 5.000 4.761 4.428 5.005 0.005 4 0 "[ . 1 . 2]" 1
622 1 36 THR H 1 36 THR MG 2.900 . 4.400 2.136 1.956 2.362 . 0 0 "[ . 1 . 2]" 1
623 1 36 THR MG 1 37 MET H 5.000 . 6.500 2.095 1.936 2.245 . 0 0 "[ . 1 . 2]" 1
624 1 36 THR MG 1 38 ASP H 5.000 . 6.500 2.159 1.931 2.413 . 0 0 "[ . 1 . 2]" 1
625 1 36 THR H 1 37 MET H 2.900 . 2.900 2.525 2.450 2.638 . 0 0 "[ . 1 . 2]" 1
626 1 36 THR H 1 38 ASP H 5.000 . 5.000 4.429 4.189 4.761 . 0 0 "[ . 1 . 2]" 1
627 1 37 MET H 1 37 MET HA 2.900 . 2.900 2.277 2.272 2.281 . 0 0 "[ . 1 . 2]" 1
628 1 37 MET HA 1 38 ASP H 3.500 . 3.500 2.771 2.632 2.912 . 0 0 "[ . 1 . 2]" 1
629 1 37 MET H 1 38 ASP H 3.500 . 3.500 2.674 2.578 2.803 . 0 0 "[ . 1 . 2]" 1
630 1 38 ASP HA 1 39 VAL H 2.900 . 2.900 2.144 2.135 2.173 . 0 0 "[ . 1 . 2]" 1
631 1 38 ASP HA 1 40 ALA H 3.500 . 3.500 3.512 3.474 3.525 0.025 14 0 "[ . 1 . 2]" 1
632 1 38 ASP H 1 38 ASP QB 2.900 . 3.500 2.472 2.214 2.939 . 0 0 "[ . 1 . 2]" 1
633 1 38 ASP QB 1 39 VAL H 3.500 . 4.500 3.685 3.444 3.957 . 0 0 "[ . 1 . 2]" 1
634 1 38 ASP QB 1 41 VAL H 5.000 . 6.000 2.495 2.306 2.981 . 0 0 "[ . 1 . 2]" 1
635 1 38 ASP H 1 39 VAL H 5.000 . 5.000 4.199 3.996 4.313 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL HA 1 40 ALA H 5.000 . 5.000 3.463 3.447 3.482 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL HA 1 42 LEU H 3.500 . 3.500 3.360 3.238 3.455 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL HA 1 43 VAL H 5.000 . 5.000 4.067 3.958 4.225 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL H 1 39 VAL HB 3.500 . 3.500 2.769 2.585 3.543 0.043 1 0 "[ . 1 . 2]" 1
640 1 39 VAL HB 1 40 ALA H 3.500 . 3.500 3.103 2.984 3.560 0.060 14 0 "[ . 1 . 2]" 1
641 1 39 VAL H 1 39 VAL QG 2.900 . 4.600 1.975 1.816 2.101 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL QG 1 40 ALA H 2.900 . 5.300 3.272 2.196 3.478 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL QG 1 73 GLU H 5.000 . 7.400 4.920 4.633 5.277 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL QG 1 74 TYR H 3.500 . 5.900 3.704 3.341 4.161 . 0 0 "[ . 1 . 2]" 1
645 1 39 VAL H 1 40 ALA H 2.900 . 2.900 2.562 2.392 2.708 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL H 1 41 VAL H 5.000 . 5.000 4.095 4.009 4.212 . 0 0 "[ . 1 . 2]" 1
647 1 40 ALA H 1 40 ALA HA 2.900 . 2.900 2.852 2.826 2.860 . 0 0 "[ . 1 . 2]" 1
648 1 40 ALA HA 1 41 VAL H 3.500 . 3.500 3.463 3.446 3.484 . 0 0 "[ . 1 . 2]" 1
649 1 40 ALA HA 1 43 VAL H 5.000 . 5.000 3.686 3.608 3.787 . 0 0 "[ . 1 . 2]" 1
650 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.164 2.094 2.250 . 0 0 "[ . 1 . 2]" 1
651 1 40 ALA MB 1 41 VAL H 2.900 . 4.400 2.874 2.777 2.950 . 0 0 "[ . 1 . 2]" 1
652 1 40 ALA H 1 41 VAL HA 5.000 . 5.000 5.075 5.059 5.121 0.121 1 0 "[ . 1 . 2]" 1
653 1 40 ALA H 1 41 VAL H 2.900 . 2.900 2.453 2.419 2.524 . 0 0 "[ . 1 . 2]" 1
654 1 40 ALA H 1 42 LEU H 5.000 . 5.000 4.218 4.014 4.467 . 0 0 "[ . 1 . 2]" 1
655 1 41 VAL H 1 41 VAL HA 2.900 . 2.900 2.863 2.852 2.868 . 0 0 "[ . 1 . 2]" 1
656 1 41 VAL HA 1 42 LEU H 5.000 . 5.000 3.548 3.521 3.571 . 0 0 "[ . 1 . 2]" 1
657 1 41 VAL HA 1 44 GLY H 3.500 . 3.500 3.506 3.431 3.532 0.032 20 0 "[ . 1 . 2]" 1
658 1 41 VAL HA 1 45 ASP H 5.000 . 5.000 4.163 3.819 4.388 . 0 0 "[ . 1 . 2]" 1
659 1 41 VAL H 1 41 VAL HB 2.900 . 2.900 2.500 2.409 2.556 . 0 0 "[ . 1 . 2]" 1
660 1 41 VAL HB 1 42 LEU H 3.500 . 3.500 2.540 2.330 2.718 . 0 0 "[ . 1 . 2]" 1
661 1 41 VAL H 1 41 VAL QG 2.900 . 4.600 2.221 2.111 2.375 . 0 0 "[ . 1 . 2]" 1
662 1 41 VAL QG 1 42 LEU H 2.900 . 5.300 3.174 2.975 3.280 . 0 0 "[ . 1 . 2]" 1
663 1 41 VAL QG 1 45 ASP H 3.500 . 5.900 3.897 3.670 4.022 . 0 0 "[ . 1 . 2]" 1
664 1 41 VAL H 1 42 LEU H 2.900 . 2.900 2.502 2.429 2.641 . 0 0 "[ . 1 . 2]" 1
665 1 42 LEU HA 1 43 VAL H 5.000 . 5.000 3.535 3.518 3.552 . 0 0 "[ . 1 . 2]" 1
666 1 42 LEU HA 1 45 ASP H 5.000 . 5.000 3.738 3.485 3.969 . 0 0 "[ . 1 . 2]" 1
667 1 42 LEU H 1 42 LEU QB 2.900 . 3.500 2.193 2.021 2.328 . 0 0 "[ . 1 . 2]" 1
668 1 42 LEU QB 1 43 VAL H 3.500 . 4.500 3.180 2.582 3.456 . 0 0 "[ . 1 . 2]" 1
669 1 42 LEU H 1 42 LEU QD 3.500 . 5.200 3.278 3.040 3.590 . 0 0 "[ . 1 . 2]" 1
670 1 42 LEU QD 1 43 VAL H 5.000 . 7.400 3.120 2.589 3.976 . 0 0 "[ . 1 . 2]" 1
671 1 42 LEU H 1 42 LEU HG 3.500 . 3.500 3.001 2.614 3.540 0.040 20 0 "[ . 1 . 2]" 1
672 1 42 LEU H 1 43 VAL H 3.500 . 3.500 2.678 2.585 2.790 . 0 0 "[ . 1 . 2]" 1
673 1 43 VAL HA 1 44 GLY H 5.000 . 5.000 3.552 3.536 3.568 . 0 0 "[ . 1 . 2]" 1
674 1 43 VAL HA 1 46 LEU H 5.000 . 5.000 3.631 3.515 3.869 . 0 0 "[ . 1 . 2]" 1
675 1 43 VAL HA 1 47 LYS H 5.000 . 5.000 4.239 3.887 4.414 . 0 0 "[ . 1 . 2]" 1
676 1 43 VAL H 1 43 VAL HB 2.900 . 2.900 2.585 2.526 2.685 . 0 0 "[ . 1 . 2]" 1
677 1 43 VAL HB 1 44 GLY H 2.900 . 2.900 2.546 2.391 2.644 . 0 0 "[ . 1 . 2]" 1
678 1 43 VAL H 1 43 VAL QG 2.900 . 4.600 2.071 1.960 2.194 . 0 0 "[ . 1 . 2]" 1
679 1 43 VAL QG 1 44 GLY H 3.500 . 5.900 3.220 3.149 3.279 . 0 0 "[ . 1 . 2]" 1
680 1 43 VAL QG 1 77 LEU H 5.000 . 7.400 4.507 4.084 5.363 . 0 0 "[ . 1 . 2]" 1
681 1 43 VAL QG 1 78 THR H 5.000 . 7.400 3.898 3.400 4.439 . 0 0 "[ . 1 . 2]" 1
682 1 43 VAL H 1 44 GLY H 2.900 . 2.900 2.676 2.590 2.782 . 0 0 "[ . 1 . 2]" 1
683 1 43 VAL H 1 45 ASP H 5.000 . 5.000 4.427 4.187 4.606 . 0 0 "[ . 1 . 2]" 1
684 1 44 GLY QA 1 45 ASP H 2.900 . 3.900 2.592 2.545 2.689 . 0 0 "[ . 1 . 2]" 1
685 1 44 GLY QA 1 47 LYS H 3.500 . 4.500 3.585 3.417 3.708 . 0 0 "[ . 1 . 2]" 1
686 1 44 GLY H 1 45 ASP H 2.900 . 2.900 2.868 2.782 2.911 0.011 14 0 "[ . 1 . 2]" 1
687 1 45 ASP H 1 45 ASP HA 2.900 . 2.900 2.808 2.800 2.829 . 0 0 "[ . 1 . 2]" 1
688 1 45 ASP HA 1 46 LEU H 5.000 . 5.000 3.551 3.537 3.582 . 0 0 "[ . 1 . 2]" 1
689 1 45 ASP HA 1 47 LYS H 5.000 . 5.000 4.163 3.957 4.340 . 0 0 "[ . 1 . 2]" 1
690 1 45 ASP HA 1 48 LEU H 5.000 . 5.000 3.328 3.255 3.511 . 0 0 "[ . 1 . 2]" 1
691 1 45 ASP H 1 45 ASP QB 2.900 . 3.500 2.503 2.208 2.625 . 0 0 "[ . 1 . 2]" 1
692 1 45 ASP QB 1 46 LEU H 5.000 . 6.000 2.480 2.190 2.573 . 0 0 "[ . 1 . 2]" 1
693 1 45 ASP H 1 46 LEU H 2.900 . 2.900 2.717 2.672 2.803 . 0 0 "[ . 1 . 2]" 1
694 1 46 LEU HA 1 47 LYS H 5.000 . 5.000 3.525 3.454 3.548 . 0 0 "[ . 1 . 2]" 1
695 1 46 LEU H 1 46 LEU QB 3.500 . 4.100 2.187 2.170 2.303 . 0 0 "[ . 1 . 2]" 1
696 1 46 LEU QB 1 47 LYS H 3.500 . 4.500 2.761 2.622 3.672 . 0 0 "[ . 1 . 2]" 1
697 1 46 LEU H 1 46 LEU QD 3.500 . 5.200 3.388 3.170 3.413 . 0 0 "[ . 1 . 2]" 1
698 1 46 LEU H 1 46 LEU HG 2.900 . 2.900 2.896 2.779 2.918 0.018 10 0 "[ . 1 . 2]" 1
699 1 46 LEU H 1 47 LYS H 3.500 . 3.500 2.800 2.675 2.867 . 0 0 "[ . 1 . 2]" 1
700 1 46 LEU H 1 48 LEU H 5.000 . 5.000 4.417 4.366 4.524 . 0 0 "[ . 1 . 2]" 1
701 1 47 LYS H 1 47 LYS HA 2.900 . 2.900 2.837 2.816 2.857 . 0 0 "[ . 1 . 2]" 1
702 1 47 LYS HA 1 48 LEU H 5.000 . 5.000 3.558 3.554 3.561 . 0 0 "[ . 1 . 2]" 1
703 1 47 LYS HA 1 49 VAL H 5.000 . 5.000 3.849 3.794 3.918 . 0 0 "[ . 1 . 2]" 1
704 1 47 LYS H 1 47 LYS QB 2.900 . 3.500 2.240 2.119 2.440 . 0 0 "[ . 1 . 2]" 1
705 1 47 LYS QB 1 48 LEU H 2.900 . 3.900 2.454 2.349 2.527 . 0 0 "[ . 1 . 2]" 1
706 1 47 LYS H 1 47 LYS QD 2.900 . 3.900 3.159 2.325 3.565 . 0 0 "[ . 1 . 2]" 1
707 1 47 LYS H 1 47 LYS QG 2.900 . 3.900 2.893 2.202 3.535 . 0 0 "[ . 1 . 2]" 1
708 1 47 LYS H 1 48 LEU H 2.900 . 2.900 2.662 2.583 2.736 . 0 0 "[ . 1 . 2]" 1
709 1 47 LYS H 1 49 VAL H 5.000 . 5.000 3.852 3.643 3.942 . 0 0 "[ . 1 . 2]" 1
710 1 48 LEU H 1 48 LEU HA 2.900 . 2.900 2.769 2.761 2.806 . 0 0 "[ . 1 . 2]" 1
711 1 48 LEU HA 1 49 VAL H 5.000 . 5.000 3.465 3.429 3.478 . 0 0 "[ . 1 . 2]" 1
712 1 48 LEU H 1 48 LEU QB 2.900 . 3.500 2.333 2.182 2.559 . 0 0 "[ . 1 . 2]" 1
713 1 48 LEU QB 1 49 VAL H 3.500 . 4.500 2.896 2.852 3.004 . 0 0 "[ . 1 . 2]" 1
714 1 48 LEU H 1 48 LEU QD 3.500 . 5.200 3.060 2.527 3.371 . 0 0 "[ . 1 . 2]" 1
715 1 48 LEU H 1 48 LEU HG 2.900 . 2.900 2.566 2.013 2.897 . 0 0 "[ . 1 . 2]" 1
716 1 48 LEU HG 1 49 VAL H 5.000 . 5.000 4.704 4.326 4.928 . 0 0 "[ . 1 . 2]" 1
717 1 48 LEU H 1 49 VAL H 2.900 . 2.900 2.726 2.587 2.761 . 0 0 "[ . 1 . 2]" 1
718 1 48 LEU H 1 50 ILE H 5.000 . 5.000 3.963 3.869 4.055 . 0 0 "[ . 1 . 2]" 1
719 1 49 VAL HA 1 50 ILE H 5.000 . 5.000 3.469 3.452 3.475 . 0 0 "[ . 1 . 2]" 1
720 1 49 VAL HA 1 51 ASN H 5.000 . 5.000 3.740 3.669 3.927 . 0 0 "[ . 1 . 2]" 1
721 1 49 VAL H 1 49 VAL HB 3.500 . 3.500 2.591 2.420 2.628 . 0 0 "[ . 1 . 2]" 1
722 1 49 VAL HB 1 50 ILE H 2.900 . 2.900 2.913 2.904 2.924 0.024 17 0 "[ . 1 . 2]" 1
723 1 49 VAL H 1 49 VAL QG 2.900 . 4.600 2.381 2.228 2.658 . 0 0 "[ . 1 . 2]" 1
724 1 49 VAL QG 1 50 ILE H 3.500 . 5.900 3.397 3.333 3.414 . 0 0 "[ . 1 . 2]" 1
725 1 49 VAL QG 1 51 ASN H 5.000 . 7.400 4.329 4.270 4.465 . 0 0 "[ . 1 . 2]" 1
726 1 49 VAL H 1 50 ILE MD 5.000 . 6.500 4.351 3.379 4.669 . 0 0 "[ . 1 . 2]" 1
727 1 49 VAL H 1 50 ILE MG 5.000 . 6.500 5.503 5.492 5.517 . 0 0 "[ . 1 . 2]" 1
728 1 49 VAL H 1 50 ILE H 2.900 . 2.900 2.088 2.069 2.218 . 0 0 "[ . 1 . 2]" 1
729 1 50 ILE HA 1 51 ASN H 2.900 . 2.900 2.973 2.944 2.997 0.097 17 0 "[ . 1 . 2]" 1
730 1 50 ILE HA 1 52 GLU H 3.500 . 3.500 3.167 3.081 3.194 . 0 0 "[ . 1 . 2]" 1
731 1 50 ILE H 1 50 ILE HB 2.900 . 2.900 2.573 2.451 2.620 . 0 0 "[ . 1 . 2]" 1
732 1 50 ILE HB 1 51 ASN H 5.000 . 5.000 4.002 3.955 4.071 . 0 0 "[ . 1 . 2]" 1
733 1 50 ILE H 1 50 ILE MD 5.000 . 6.500 3.370 2.572 3.609 . 0 0 "[ . 1 . 2]" 1
734 1 50 ILE MD 1 58 LEU H 5.000 . 6.500 3.802 3.416 4.739 . 0 0 "[ . 1 . 2]" 1
735 1 50 ILE MD 1 59 PHE H 5.000 . 6.500 3.241 2.684 4.708 . 0 0 "[ . 1 . 2]" 1
736 1 50 ILE H 1 50 ILE QG 3.500 . 4.500 2.586 2.451 3.303 . 0 0 "[ . 1 . 2]" 1
737 1 50 ILE H 1 50 ILE MG 3.500 . 5.000 3.817 3.735 3.837 . 0 0 "[ . 1 . 2]" 1
738 1 50 ILE MG 1 51 ASN H 3.500 . 5.000 4.131 4.058 4.147 . 0 0 "[ . 1 . 2]" 1
739 1 50 ILE MG 1 52 GLU H 5.000 . 6.500 3.709 3.532 3.787 . 0 0 "[ . 1 . 2]" 1
740 1 50 ILE MG 1 55 ARG H 5.000 . 6.500 3.098 2.971 3.365 . 0 0 "[ . 1 . 2]" 1
741 1 50 ILE MG 1 58 LEU H 5.000 . 6.500 3.737 3.558 3.890 . 0 0 "[ . 1 . 2]" 1
742 1 50 ILE MG 1 59 PHE H 5.000 . 6.500 3.844 3.550 4.273 . 0 0 "[ . 1 . 2]" 1
743 1 50 ILE H 1 51 ASN H 5.000 . 5.000 2.621 2.535 2.648 . 0 0 "[ . 1 . 2]" 1
744 1 51 ASN HA 1 52 GLU H 3.500 . 3.500 3.480 3.471 3.485 . 0 0 "[ . 1 . 2]" 1
745 1 51 ASN H 1 55 ARG QB 5.000 . 6.000 4.477 4.195 4.633 . 0 0 "[ . 1 . 2]" 1
746 1 51 ASN H 1 55 ARG QD 3.500 . 4.500 3.934 3.693 4.094 . 0 0 "[ . 1 . 2]" 1
747 1 52 GLU H 1 52 GLU QB 2.900 . 3.500 2.415 2.240 2.620 . 0 0 "[ . 1 . 2]" 1
748 1 52 GLU QB 1 55 ARG H 2.900 . 3.900 3.182 2.975 3.383 . 0 0 "[ . 1 . 2]" 1
749 1 52 GLU H 1 52 GLU QG 2.900 . 3.900 2.791 2.232 3.251 . 0 0 "[ . 1 . 2]" 1
750 1 52 GLU H 1 54 SER H 5.000 . 5.000 4.956 4.863 5.004 0.004 3 0 "[ . 1 . 2]" 1
751 1 52 GLU H 1 55 ARG QB 3.500 . 4.500 3.598 3.251 3.688 . 0 0 "[ . 1 . 2]" 1
752 1 52 GLU H 1 55 ARG QD 5.000 . 6.000 3.112 2.771 3.425 . 0 0 "[ . 1 . 2]" 1
753 1 52 GLU H 1 55 ARG H 5.000 . 5.000 4.252 4.078 4.379 . 0 0 "[ . 1 . 2]" 1
754 1 53 PRO HA 1 54 SER H 3.500 . 3.500 3.483 3.458 3.505 0.005 17 0 "[ . 1 . 2]" 1
755 1 53 PRO QB 1 54 SER H 5.000 . 6.000 3.114 2.846 3.425 . 0 0 "[ . 1 . 2]" 1
756 1 53 PRO QG 1 54 SER H 3.500 . 4.500 3.422 2.585 4.010 . 0 0 "[ . 1 . 2]" 1
757 1 54 SER HA 1 55 ARG H 5.000 . 5.000 3.523 3.502 3.531 . 0 0 "[ . 1 . 2]" 1
758 1 54 SER H 1 54 SER QB 2.900 . 3.500 2.309 2.110 2.847 . 0 0 "[ . 1 . 2]" 1
759 1 54 SER QB 1 55 ARG H 5.000 . 6.000 2.775 2.625 3.461 . 0 0 "[ . 1 . 2]" 1
760 1 54 SER H 1 55 ARG H 3.500 . 3.500 2.706 2.616 2.773 . 0 0 "[ . 1 . 2]" 1
761 1 55 ARG HA 1 56 LEU H 5.000 . 5.000 3.131 3.076 3.192 . 0 0 "[ . 1 . 2]" 1
762 1 55 ARG H 1 55 ARG QB 3.500 . 4.100 2.294 2.197 2.477 . 0 0 "[ . 1 . 2]" 1
763 1 55 ARG H 1 56 LEU H 2.900 . 2.900 2.693 2.611 2.778 . 0 0 "[ . 1 . 2]" 1
764 1 56 LEU H 1 56 LEU QB 2.900 . 3.500 2.187 2.165 2.235 . 0 0 "[ . 1 . 2]" 1
765 1 56 LEU H 1 56 LEU QD 3.500 . 5.200 3.265 3.195 3.384 . 0 0 "[ . 1 . 2]" 1
766 1 56 LEU H 1 56 LEU HG 2.900 . 2.900 2.867 2.733 2.911 0.011 18 0 "[ . 1 . 2]" 1
767 1 56 LEU H 1 57 PRO QD 3.500 . 4.500 2.192 2.031 2.350 . 0 0 "[ . 1 . 2]" 1
768 1 57 PRO QD 1 58 LEU H 5.000 . 6.000 3.242 3.063 3.488 . 0 0 "[ . 1 . 2]" 1
769 1 58 LEU H 1 58 LEU HA 2.900 . 2.900 2.777 2.768 2.803 . 0 0 "[ . 1 . 2]" 1
770 1 58 LEU HA 1 59 PHE H 5.000 . 5.000 3.534 3.504 3.565 . 0 0 "[ . 1 . 2]" 1
771 1 58 LEU HA 1 60 ASP H 5.000 . 5.000 4.653 4.357 4.763 . 0 0 "[ . 1 . 2]" 1
772 1 58 LEU HA 1 61 ALA H 3.500 . 3.500 3.409 3.241 3.504 0.004 7 0 "[ . 1 . 2]" 1
773 1 58 LEU H 1 58 LEU QB 2.900 . 3.500 2.054 2.035 2.110 . 0 0 "[ . 1 . 2]" 1
774 1 58 LEU QB 1 59 PHE H 5.000 . 6.000 2.699 2.424 2.866 . 0 0 "[ . 1 . 2]" 1
775 1 58 LEU H 1 58 LEU QD 3.500 . 5.200 3.464 2.734 3.671 . 0 0 "[ . 1 . 2]" 1
776 1 58 LEU H 1 59 PHE H 2.900 . 2.900 2.808 2.712 2.913 0.013 20 0 "[ . 1 . 2]" 1
777 1 58 LEU H 1 60 ASP H 5.000 . 5.000 4.470 4.245 4.584 . 0 0 "[ . 1 . 2]" 1
778 1 59 PHE HA 1 60 ASP H 5.000 . 5.000 3.558 3.538 3.564 . 0 0 "[ . 1 . 2]" 1
779 1 59 PHE HA 1 62 ILE H 5.000 . 5.000 3.893 3.561 4.006 . 0 0 "[ . 1 . 2]" 1
780 1 59 PHE H 1 59 PHE QB 2.900 . 3.500 2.488 2.265 2.640 . 0 0 "[ . 1 . 2]" 1
781 1 59 PHE QB 1 60 ASP H 3.500 . 4.500 2.386 2.329 2.535 . 0 0 "[ . 1 . 2]" 1
782 1 59 PHE H 1 59 PHE QD 2.900 . 4.900 2.798 1.999 3.189 . 0 0 "[ . 1 . 2]" 1
783 1 59 PHE H 1 60 ASP H 2.900 . 2.900 2.768 2.596 2.903 0.003 20 0 "[ . 1 . 2]" 1
784 1 59 PHE H 1 61 ALA H 5.000 . 5.000 3.781 3.619 3.978 . 0 0 "[ . 1 . 2]" 1
785 1 60 ASP HA 1 61 ALA H 5.000 . 5.000 3.453 3.429 3.470 . 0 0 "[ . 1 . 2]" 1
786 1 60 ASP HA 1 63 ARG H 5.000 . 5.000 3.555 3.420 3.686 . 0 0 "[ . 1 . 2]" 1
787 1 60 ASP H 1 60 ASP QB 2.900 . 3.500 2.203 2.076 2.533 . 0 0 "[ . 1 . 2]" 1
788 1 60 ASP QB 1 61 ALA H 3.500 . 4.500 2.913 2.820 3.032 . 0 0 "[ . 1 . 2]" 1
789 1 60 ASP H 1 61 ALA MB 3.500 . 5.000 4.082 4.009 4.110 . 0 0 "[ . 1 . 2]" 1
790 1 60 ASP H 1 61 ALA H 2.900 . 2.900 2.433 2.415 2.450 . 0 0 "[ . 1 . 2]" 1
791 1 61 ALA H 1 61 ALA HA 2.900 . 2.900 2.828 2.825 2.830 . 0 0 "[ . 1 . 2]" 1
792 1 61 ALA HA 1 62 ILE H 5.000 . 5.000 3.554 3.536 3.560 . 0 0 "[ . 1 . 2]" 1
793 1 61 ALA H 1 61 ALA MB 2.900 . 4.000 2.186 2.067 2.219 . 0 0 "[ . 1 . 2]" 1
794 1 61 ALA MB 1 62 ILE H 3.500 . 5.000 2.402 2.314 2.551 . 0 0 "[ . 1 . 2]" 1
795 1 61 ALA H 1 62 ILE MD 5.000 . 6.500 4.738 3.568 5.249 . 0 0 "[ . 1 . 2]" 1
796 1 61 ALA H 1 62 ILE QG 5.000 . 6.000 4.072 3.825 4.153 . 0 0 "[ . 1 . 2]" 1
797 1 61 ALA H 1 62 ILE H 2.900 . 2.900 2.683 2.608 2.728 . 0 0 "[ . 1 . 2]" 1
798 1 62 ILE HA 1 63 ARG H 3.500 . 3.500 3.518 3.508 3.527 0.027 16 0 "[ . 1 . 2]" 1
799 1 62 ILE H 1 62 ILE HB 2.900 . 2.900 2.660 2.593 2.919 0.019 9 0 "[ . 1 . 2]" 1
800 1 62 ILE HB 1 63 ARG H 2.900 . 2.900 2.772 2.750 2.814 . 0 0 "[ . 1 . 2]" 1
801 1 62 ILE H 1 62 ILE MD 3.500 . 5.000 3.167 2.165 3.535 . 0 0 "[ . 1 . 2]" 1
802 1 62 ILE H 1 62 ILE MG 3.500 . 5.000 3.771 3.727 3.778 . 0 0 "[ . 1 . 2]" 1
803 1 62 ILE MG 1 63 ARG H 5.000 . 6.500 3.772 3.697 4.003 . 0 0 "[ . 1 . 2]" 1
804 1 62 ILE H 1 63 ARG H 2.900 . 2.900 2.551 2.515 2.578 . 0 0 "[ . 1 . 2]" 1
805 1 62 ILE H 1 64 PRO QD 5.000 . 6.000 3.496 3.420 3.550 . 0 0 "[ . 1 . 2]" 1
806 1 62 ILE H 1 74 TYR QE 5.000 . 7.000 5.847 5.347 6.159 . 0 0 "[ . 1 . 2]" 1
807 1 62 ILE H 1 74 TYR HH 5.000 . 5.000 4.948 4.543 5.012 0.012 10 0 "[ . 1 . 2]" 1
808 1 63 ARG H 1 63 ARG HA 2.900 . 2.900 2.704 2.696 2.724 . 0 0 "[ . 1 . 2]" 1
809 1 63 ARG HA 1 65 LEU H 5.000 . 5.000 4.769 4.651 4.969 . 0 0 "[ . 1 . 2]" 1
810 1 63 ARG HA 1 66 ILE H 5.000 . 5.000 3.491 3.302 3.818 . 0 0 "[ . 1 . 2]" 1
811 1 63 ARG H 1 64 PRO QD 2.900 . 3.900 2.401 2.308 2.484 . 0 0 "[ . 1 . 2]" 1
812 1 63 ARG H 1 66 ILE MG 5.000 . 6.500 5.195 4.520 5.421 . 0 0 "[ . 1 . 2]" 1
813 1 63 ARG H 1 74 TYR QE 5.000 . 7.000 4.874 4.236 5.344 . 0 0 "[ . 1 . 2]" 1
814 1 63 ARG H 1 74 TYR HH 5.000 . 5.000 4.730 4.116 4.924 . 0 0 "[ . 1 . 2]" 1
815 1 64 PRO HA 1 65 LEU H 5.000 . 5.000 3.587 3.578 3.594 . 0 0 "[ . 1 . 2]" 1
816 1 64 PRO HA 1 66 ILE H 5.000 . 5.000 4.160 3.883 4.510 . 0 0 "[ . 1 . 2]" 1
817 1 64 PRO HA 1 71 GLN QE 5.000 . 6.000 3.505 2.010 5.040 . 0 0 "[ . 1 . 2]" 1
818 1 64 PRO QD 1 65 LEU H 5.000 . 6.000 3.138 2.351 3.303 . 0 0 "[ . 1 . 2]" 1
819 1 64 PRO QG 1 65 LEU H 5.000 . 6.000 3.174 2.104 3.726 . 0 0 "[ . 1 . 2]" 1
820 1 65 LEU HA 1 66 ILE H 5.000 . 5.000 3.417 3.331 3.502 . 0 0 "[ . 1 . 2]" 1
821 1 65 LEU H 1 65 LEU QB 3.500 . 4.100 2.625 2.220 2.875 . 0 0 "[ . 1 . 2]" 1
822 1 65 LEU QB 1 66 ILE H 5.000 . 6.000 3.665 3.490 3.824 . 0 0 "[ . 1 . 2]" 1
823 1 65 LEU QD 2 6 LEU H 5.000 . 7.400 3.771 3.337 4.680 . 0 0 "[ . 1 . 2]" 1
824 1 65 LEU H 1 65 LEU QD 3.500 . 5.200 2.174 1.908 3.079 . 0 0 "[ . 1 . 2]" 1
825 1 65 LEU H 1 65 LEU HG 2.900 . 2.900 2.449 1.913 2.905 0.005 12 0 "[ . 1 . 2]" 1
826 1 65 LEU HG 1 66 ILE H 2.900 . 2.900 2.537 2.000 2.904 0.004 20 0 "[ . 1 . 2]" 1
827 1 65 LEU H 1 66 ILE H 2.900 . 2.900 2.553 2.456 2.718 . 0 0 "[ . 1 . 2]" 1
828 1 66 ILE H 1 66 ILE HB 2.900 . 2.900 2.320 2.187 2.445 . 0 0 "[ . 1 . 2]" 1
829 1 66 ILE H 1 66 ILE MD 3.500 . 5.000 3.861 3.485 4.118 . 0 0 "[ . 1 . 2]" 1
830 1 66 ILE H 1 66 ILE QG 3.500 . 4.500 2.928 2.201 3.948 . 0 0 "[ . 1 . 2]" 1
831 1 66 ILE MG 1 70 HIS H 3.500 . 5.000 3.858 3.584 4.038 . 0 0 "[ . 1 . 2]" 1
832 1 66 ILE MG 1 71 GLN QE 5.000 . 7.500 4.002 2.911 5.207 . 0 0 "[ . 1 . 2]" 1
833 1 66 ILE MG 1 71 GLN H 3.500 . 5.000 2.832 2.400 3.048 . 0 0 "[ . 1 . 2]" 1
834 1 67 PRO HA 1 68 LEU H 2.900 . 2.900 2.039 2.018 2.205 . 0 0 "[ . 1 . 2]" 1
835 1 67 PRO HA 1 69 LYS H 5.000 . 5.000 4.000 3.726 4.143 . 0 0 "[ . 1 . 2]" 1
836 1 67 PRO QB 1 68 LEU H 5.000 . 6.000 3.064 2.667 3.148 . 0 0 "[ . 1 . 2]" 1
837 1 67 PRO QB 1 69 LYS H 5.000 . 6.000 2.934 2.372 3.128 . 0 0 "[ . 1 . 2]" 1
838 1 67 PRO QB 1 70 HIS H 5.000 . 6.000 2.109 1.972 2.452 . 0 0 "[ . 1 . 2]" 1
839 1 68 LEU HA 1 69 LYS H 5.000 . 5.000 3.541 3.470 3.569 . 0 0 "[ . 1 . 2]" 1
840 1 68 LEU HA 1 71 GLN H 3.500 . 3.500 3.504 3.451 3.554 0.054 3 0 "[ . 1 . 2]" 1
841 1 68 LEU H 1 68 LEU QB 2.900 . 3.500 1.948 1.938 2.007 . 0 0 "[ . 1 . 2]" 1
842 1 68 LEU QB 1 69 LYS H 2.900 . 3.900 2.700 2.552 3.472 . 0 0 "[ . 1 . 2]" 1
843 1 68 LEU QD 1 69 LYS H 5.000 . 7.400 4.009 3.223 4.214 . 0 0 "[ . 1 . 2]" 1
844 1 68 LEU H 1 68 LEU HG 2.900 . 2.900 2.983 2.976 2.988 0.088 19 0 "[ . 1 . 2]" 1
845 1 68 LEU H 1 69 LYS H 2.900 . 2.900 2.853 2.597 2.909 0.009 17 0 "[ . 1 . 2]" 1
846 1 69 LYS H 1 69 LYS HA 2.900 . 2.900 2.858 2.815 2.909 0.009 11 0 "[ . 1 . 2]" 1
847 1 69 LYS HA 1 70 HIS H 5.000 . 5.000 3.526 3.478 3.561 . 0 0 "[ . 1 . 2]" 1
848 1 69 LYS HA 1 71 GLN H 5.000 . 5.000 4.069 3.956 4.333 . 0 0 "[ . 1 . 2]" 1
849 1 69 LYS H 1 69 LYS QB 3.500 . 4.100 2.618 2.065 2.797 . 0 0 "[ . 1 . 2]" 1
850 1 69 LYS QB 1 70 HIS H 3.500 . 4.500 3.077 2.322 3.486 . 0 0 "[ . 1 . 2]" 1
851 1 69 LYS H 1 69 LYS QD 5.000 . 6.000 3.450 1.987 4.137 . 0 0 "[ . 1 . 2]" 1
852 1 69 LYS H 1 69 LYS QE 5.000 . 6.000 3.890 2.271 4.846 . 0 0 "[ . 1 . 2]" 1
853 1 69 LYS H 1 69 LYS QG 2.900 . 3.900 2.087 1.932 3.381 . 0 0 "[ . 1 . 2]" 1
854 1 69 LYS QG 1 70 HIS H 5.000 . 6.000 2.483 1.864 4.249 . 0 0 "[ . 1 . 2]" 1
855 1 69 LYS H 1 70 HIS H 3.500 . 3.500 2.500 2.190 2.791 . 0 0 "[ . 1 . 2]" 1
856 1 69 LYS H 1 71 GLN H 5.000 . 5.000 3.753 3.571 3.868 . 0 0 "[ . 1 . 2]" 1
857 1 70 HIS HA 1 71 GLN H 3.500 . 3.500 3.482 3.453 3.534 0.034 3 0 "[ . 1 . 2]" 1
858 1 70 HIS HA 1 72 VAL H 5.000 . 5.000 4.395 4.173 4.558 . 0 0 "[ . 1 . 2]" 1
859 1 70 HIS HA 1 73 GLU H 5.000 . 5.000 3.434 3.368 3.490 . 0 0 "[ . 1 . 2]" 1
860 1 70 HIS H 1 70 HIS QB 3.500 . 4.100 2.370 2.249 2.565 . 0 0 "[ . 1 . 2]" 1
861 1 70 HIS QB 1 71 GLN H 5.000 . 6.000 2.867 2.713 2.962 . 0 0 "[ . 1 . 2]" 1
862 1 70 HIS H 1 70 HIS HD2 5.000 . 5.000 2.667 2.117 3.148 . 0 0 "[ . 1 . 2]" 1
863 1 70 HIS H 1 71 GLN H 2.900 . 2.900 2.551 2.476 2.617 . 0 0 "[ . 1 . 2]" 1
864 1 71 GLN H 1 71 GLN HA 2.900 . 2.900 2.810 2.796 2.834 . 0 0 "[ . 1 . 2]" 1
865 1 71 GLN HA 1 72 VAL H 5.000 . 5.000 3.547 3.511 3.562 . 0 0 "[ . 1 . 2]" 1
866 1 71 GLN H 1 71 GLN QB 2.900 . 3.500 2.253 2.064 2.488 . 0 0 "[ . 1 . 2]" 1
867 1 71 GLN QB 1 72 VAL H 2.900 . 3.900 2.629 2.337 3.457 . 0 0 "[ . 1 . 2]" 1
868 1 71 GLN H 1 71 GLN QG 2.900 . 3.900 2.672 2.280 3.205 . 0 0 "[ . 1 . 2]" 1
869 1 71 GLN QG 1 72 VAL H 5.000 . 6.000 3.902 1.959 4.335 . 0 0 "[ . 1 . 2]" 1
870 1 71 GLN H 1 72 VAL QG 5.000 . 7.400 3.843 3.691 3.929 . 0 0 "[ . 1 . 2]" 1
871 1 71 GLN H 1 72 VAL H 2.900 . 2.900 2.708 2.558 2.812 . 0 0 "[ . 1 . 2]" 1
872 1 72 VAL H 1 72 VAL HA 2.900 . 2.900 2.813 2.796 2.830 . 0 0 "[ . 1 . 2]" 1
873 1 72 VAL HA 1 73 GLU H 5.000 . 5.000 3.573 3.567 3.579 . 0 0 "[ . 1 . 2]" 1
874 1 72 VAL HA 1 75 ASP H 5.000 . 5.000 3.323 3.275 3.413 . 0 0 "[ . 1 . 2]" 1
875 1 72 VAL HA 1 76 GLN H 5.000 . 5.000 4.515 4.336 4.626 . 0 0 "[ . 1 . 2]" 1
876 1 72 VAL H 1 72 VAL HB 2.900 . 2.900 2.785 2.768 2.821 . 0 0 "[ . 1 . 2]" 1
877 1 72 VAL HB 1 73 GLU H 2.900 . 2.900 2.234 2.118 2.343 . 0 0 "[ . 1 . 2]" 1
878 1 72 VAL HB 1 75 ASP H 5.000 . 5.000 5.064 5.054 5.077 0.077 3 0 "[ . 1 . 2]" 1
879 1 72 VAL H 1 72 VAL QG 2.900 . 4.600 1.978 1.923 2.022 . 0 0 "[ . 1 . 2]" 1
880 1 72 VAL QG 1 73 GLU H 3.500 . 5.900 3.089 3.038 3.145 . 0 0 "[ . 1 . 2]" 1
881 1 72 VAL QG 1 75 ASP H 5.000 . 7.400 4.123 4.033 4.212 . 0 0 "[ . 1 . 2]" 1
882 1 72 VAL QG 1 76 GLN QE 3.500 . 6.900 2.998 1.957 3.888 . 0 0 "[ . 1 . 2]" 1
883 1 72 VAL QG 1 76 GLN H 5.000 . 7.400 4.153 3.943 4.378 . 0 0 "[ . 1 . 2]" 1
884 1 72 VAL H 1 73 GLU H 2.900 . 2.900 2.779 2.750 2.813 . 0 0 "[ . 1 . 2]" 1
885 1 72 VAL H 1 74 TYR H 5.000 . 5.000 3.817 3.689 3.906 . 0 0 "[ . 1 . 2]" 1
886 1 73 GLU H 1 73 GLU HA 2.900 . 2.900 2.803 2.797 2.810 . 0 0 "[ . 1 . 2]" 1
887 1 73 GLU HA 1 74 TYR H 5.000 . 5.000 3.495 3.488 3.505 . 0 0 "[ . 1 . 2]" 1
888 1 73 GLU HA 1 76 GLN H 2.900 . 2.900 2.960 2.943 2.971 0.071 13 0 "[ . 1 . 2]" 1
889 1 73 GLU H 1 73 GLU QB 2.900 . 3.500 2.238 2.073 2.596 . 0 0 "[ . 1 . 2]" 1
890 1 73 GLU QB 1 74 TYR H 3.500 . 4.500 2.722 2.665 2.814 . 0 0 "[ . 1 . 2]" 1
891 1 73 GLU H 1 73 GLU QG 3.500 . 4.500 3.608 2.133 4.022 . 0 0 "[ . 1 . 2]" 1
892 1 73 GLU H 1 74 TYR H 2.900 . 2.900 2.638 2.616 2.666 . 0 0 "[ . 1 . 2]" 1
893 1 74 TYR H 1 74 TYR HA 2.900 . 2.900 2.812 2.797 2.820 . 0 0 "[ . 1 . 2]" 1
894 1 74 TYR HA 1 75 ASP H 3.500 . 3.500 3.493 3.488 3.504 0.004 3 0 "[ . 1 . 2]" 1
895 1 74 TYR HA 1 77 LEU H 5.000 . 5.000 3.519 3.479 3.630 . 0 0 "[ . 1 . 2]" 1
896 1 74 TYR H 1 74 TYR QB 2.900 . 3.500 2.240 2.162 2.266 . 0 0 "[ . 1 . 2]" 1
897 1 74 TYR QB 1 75 ASP H 2.900 . 3.900 2.708 2.644 2.743 . 0 0 "[ . 1 . 2]" 1
898 1 74 TYR H 1 74 TYR QD 3.500 . 5.500 4.166 4.012 4.201 . 0 0 "[ . 1 . 2]" 1
899 1 74 TYR QD 1 75 ASP H 3.500 . 5.500 3.846 3.391 4.266 . 0 0 "[ . 1 . 2]" 1
900 1 75 ASP HA 1 76 GLN H 5.000 . 5.000 3.525 3.505 3.560 . 0 0 "[ . 1 . 2]" 1
901 1 75 ASP HA 1 78 THR H 3.500 . 3.500 3.319 3.216 3.519 0.019 13 0 "[ . 1 . 2]" 1
902 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.194 2.070 2.529 . 0 0 "[ . 1 . 2]" 1
903 1 75 ASP QB 1 76 GLN H 3.500 . 4.500 2.710 2.543 2.869 . 0 0 "[ . 1 . 2]" 1
904 1 75 ASP H 1 76 GLN H 2.900 . 2.900 2.482 2.458 2.567 . 0 0 "[ . 1 . 2]" 1
905 1 75 ASP H 1 77 LEU H 5.000 . 5.000 3.944 3.685 4.115 . 0 0 "[ . 1 . 2]" 1
906 1 76 GLN H 1 76 GLN HA 2.900 . 2.900 2.828 2.822 2.831 . 0 0 "[ . 1 . 2]" 1
907 1 76 GLN HA 1 77 LEU H 3.500 . 3.500 3.484 3.407 3.513 0.013 3 0 "[ . 1 . 2]" 1
908 1 76 GLN H 1 76 GLN QB 2.900 . 3.500 2.421 2.201 2.601 . 0 0 "[ . 1 . 2]" 1
909 1 76 GLN QB 1 77 LEU H 3.500 . 4.500 2.830 2.700 3.114 . 0 0 "[ . 1 . 2]" 1
910 1 76 GLN H 1 76 GLN QG 3.500 . 4.500 2.299 1.981 2.726 . 0 0 "[ . 1 . 2]" 1
911 1 76 GLN H 1 77 LEU QD 5.000 . 7.400 4.539 4.222 4.969 . 0 0 "[ . 1 . 2]" 1
912 1 76 GLN H 1 77 LEU HG 5.000 . 5.000 4.553 4.071 4.953 . 0 0 "[ . 1 . 2]" 1
913 1 76 GLN H 1 77 LEU H 2.900 . 2.900 2.597 2.574 2.645 . 0 0 "[ . 1 . 2]" 1
914 1 76 GLN H 1 78 THR H 5.000 . 5.000 4.104 3.911 4.382 . 0 0 "[ . 1 . 2]" 1
915 1 77 LEU H 1 77 LEU HA 2.900 . 2.900 2.892 2.865 2.922 0.022 3 0 "[ . 1 . 2]" 1
916 1 77 LEU HA 1 78 THR H 3.500 . 3.500 3.508 3.468 3.541 0.041 13 0 "[ . 1 . 2]" 1
917 1 77 LEU H 1 77 LEU QB 2.900 . 3.500 2.376 2.212 2.622 . 0 0 "[ . 1 . 2]" 1
918 1 77 LEU QB 1 78 THR H 3.500 . 4.500 2.709 2.525 2.954 . 0 0 "[ . 1 . 2]" 1
919 1 77 LEU H 1 77 LEU QD 2.900 . 4.600 3.153 2.918 3.414 . 0 0 "[ . 1 . 2]" 1
920 1 77 LEU QD 1 78 THR H 3.500 . 5.900 4.070 3.748 4.264 . 0 0 "[ . 1 . 2]" 1
921 1 77 LEU H 1 77 LEU HG 2.900 . 2.900 2.668 2.132 2.904 0.004 13 0 "[ . 1 . 2]" 1
922 1 77 LEU HG 1 78 THR H 5.000 . 5.000 4.501 4.013 4.693 . 0 0 "[ . 1 . 2]" 1
923 1 77 LEU H 1 78 THR MG 5.000 . 6.500 4.658 3.847 5.501 . 0 0 "[ . 1 . 2]" 1
924 1 77 LEU H 1 78 THR H 2.900 . 2.900 2.362 2.166 2.492 . 0 0 "[ . 1 . 2]" 1
925 1 78 THR H 1 78 THR MG 2.900 . 4.400 2.954 2.159 3.750 . 0 0 "[ . 1 . 2]" 1
926 1 78 THR H 1 79 PRO QD 5.000 . 6.000 3.563 1.985 4.406 . 0 0 "[ . 1 . 2]" 1
927 2 1 ASP HA 2 2 ASP H 2.900 . 2.900 2.757 2.434 2.906 0.006 19 0 "[ . 1 . 2]" 1
928 2 1 ASP QB 2 2 ASP H 5.000 . 6.000 3.892 3.793 4.035 . 0 0 "[ . 1 . 2]" 1
929 2 2 ASP HA 2 3 ASP H 2.900 . 2.900 2.472 2.140 2.988 0.088 13 0 "[ . 1 . 2]" 1
930 2 2 ASP HA 2 4 ARG H 5.000 . 5.000 3.681 3.206 4.349 . 0 0 "[ . 1 . 2]" 1
931 2 2 ASP H 2 2 ASP QB 2.900 . 3.500 2.502 2.098 3.164 . 0 0 "[ . 1 . 2]" 1
932 2 2 ASP QB 2 3 ASP H 2.900 . 3.900 2.796 1.908 3.646 . 0 0 "[ . 1 . 2]" 1
933 2 3 ASP HA 2 4 ARG H 5.000 . 5.000 2.891 2.566 3.544 . 0 0 "[ . 1 . 2]" 1
934 2 3 ASP H 2 3 ASP QB 3.500 . 4.100 2.989 2.190 3.462 . 0 0 "[ . 1 . 2]" 1
935 2 3 ASP H 2 4 ARG H 2.900 . 2.900 2.692 2.244 2.902 0.002 7 0 "[ . 1 . 2]" 1
936 2 4 ARG HA 2 5 TYR H 5.000 . 5.000 3.532 3.503 3.558 . 0 0 "[ . 1 . 2]" 1
937 2 4 ARG HA 2 7 ARG H 5.000 . 5.000 3.714 3.340 4.201 . 0 0 "[ . 1 . 2]" 1
938 2 4 ARG H 2 4 ARG QB 3.500 . 4.100 2.484 2.212 2.916 . 0 0 "[ . 1 . 2]" 1
939 2 4 ARG QB 2 5 TYR H 2.900 . 3.900 2.612 2.393 3.313 . 0 0 "[ . 1 . 2]" 1
940 2 4 ARG H 2 4 ARG QD 5.000 . 6.000 4.503 3.675 4.998 . 0 0 "[ . 1 . 2]" 1
941 2 4 ARG QG 2 5 TYR H 3.500 . 4.500 3.765 1.931 4.079 . 0 0 "[ . 1 . 2]" 1
942 2 4 ARG H 2 5 TYR H 2.900 . 2.900 2.219 1.913 2.726 . 0 0 "[ . 1 . 2]" 1
943 2 5 TYR HA 2 6 LEU H 5.000 . 5.000 3.535 3.492 3.567 . 0 0 "[ . 1 . 2]" 1
944 2 5 TYR HA 2 8 GLU H 5.000 . 5.000 3.455 3.310 3.598 . 0 0 "[ . 1 . 2]" 1
945 2 5 TYR H 2 5 TYR QB 2.900 . 3.500 2.310 2.104 2.520 . 0 0 "[ . 1 . 2]" 1
946 2 5 TYR QB 2 6 LEU H 3.500 . 4.500 2.596 2.368 2.860 . 0 0 "[ . 1 . 2]" 1
947 2 5 TYR QD 2 6 LEU H 5.000 . 7.000 4.314 4.009 4.659 . 0 0 "[ . 1 . 2]" 1
948 2 5 TYR H 2 6 LEU H 2.900 . 2.900 2.705 2.491 2.904 0.004 3 0 "[ . 1 . 2]" 1
949 2 6 LEU HA 2 7 ARG H 5.000 . 5.000 3.562 3.558 3.567 . 0 0 "[ . 1 . 2]" 1
950 2 6 LEU HA 2 9 ALA H 5.000 . 5.000 3.839 3.697 4.072 . 0 0 "[ . 1 . 2]" 1
951 2 6 LEU H 2 6 LEU QB 3.500 . 4.100 2.099 2.034 2.236 . 0 0 "[ . 1 . 2]" 1
952 2 6 LEU QB 2 7 ARG H 3.500 . 4.500 2.454 2.307 2.502 . 0 0 "[ . 1 . 2]" 1
953 2 7 ARG HA 2 10 ILE H 5.000 . 5.000 3.609 3.496 3.807 . 0 0 "[ . 1 . 2]" 1
954 2 7 ARG H 2 7 ARG QB 2.900 . 3.500 2.237 2.058 2.566 . 0 0 "[ . 1 . 2]" 1
955 2 7 ARG QB 2 8 GLU H 3.500 . 4.500 2.896 2.687 3.521 . 0 0 "[ . 1 . 2]" 1
956 2 7 ARG QG 2 8 GLU H 5.000 . 6.000 3.981 1.991 4.514 . 0 0 "[ . 1 . 2]" 1
957 2 7 ARG H 2 8 GLU H 3.500 . 3.500 2.651 2.534 2.700 . 0 0 "[ . 1 . 2]" 1
958 2 7 ARG H 2 10 ILE MG 5.000 . 6.500 5.388 5.379 5.400 . 0 0 "[ . 1 . 2]" 1
959 2 8 GLU HA 2 9 ALA H 5.000 . 5.000 3.572 3.570 3.573 . 0 0 "[ . 1 . 2]" 1
960 2 8 GLU H 2 8 GLU QB 2.900 . 3.500 2.132 2.039 2.328 . 0 0 "[ . 1 . 2]" 1
961 2 8 GLU QB 2 9 ALA H 3.500 . 4.500 2.334 2.165 2.412 . 0 0 "[ . 1 . 2]" 1
962 2 8 GLU H 2 8 GLU QG 3.500 . 4.500 3.311 2.437 4.032 . 0 0 "[ . 1 . 2]" 1
963 2 8 GLU H 2 9 ALA H 2.900 . 2.900 2.887 2.853 2.904 0.004 14 0 "[ . 1 . 2]" 1
964 2 9 ALA HA 2 10 ILE H 5.000 . 5.000 3.533 3.512 3.547 . 0 0 "[ . 1 . 2]" 1
965 2 9 ALA HA 2 12 GLU H 5.000 . 5.000 3.476 3.384 3.542 . 0 0 "[ . 1 . 2]" 1
966 2 9 ALA H 2 9 ALA MB 2.900 . 4.000 2.144 2.090 2.228 . 0 0 "[ . 1 . 2]" 1
967 2 9 ALA MB 2 10 ILE H 2.900 . 4.400 2.596 2.519 2.668 . 0 0 "[ . 1 . 2]" 1
968 2 9 ALA H 2 10 ILE H 3.500 . 3.500 2.561 2.534 2.576 . 0 0 "[ . 1 . 2]" 1
969 2 9 ALA H 2 11 GLN H 5.000 . 5.000 4.400 4.268 4.482 . 0 0 "[ . 1 . 2]" 1
970 2 10 ILE HA 2 11 GLN H 5.000 . 5.000 3.574 3.568 3.578 . 0 0 "[ . 1 . 2]" 1
971 2 10 ILE HA 2 13 TYR H 5.000 . 5.000 3.746 3.679 3.828 . 0 0 "[ . 1 . 2]" 1
972 2 10 ILE H 2 10 ILE HB 2.900 . 2.900 2.394 2.292 2.446 . 0 0 "[ . 1 . 2]" 1
973 2 10 ILE HB 2 11 GLN H 2.900 . 2.900 2.409 2.365 2.518 . 0 0 "[ . 1 . 2]" 1
974 2 10 ILE H 2 10 ILE MD 3.500 . 5.000 3.542 3.390 3.781 . 0 0 "[ . 1 . 2]" 1
975 2 10 ILE MD 2 11 GLN H 5.000 . 6.500 4.398 4.314 4.505 . 0 0 "[ . 1 . 2]" 1
976 2 10 ILE H 2 10 ILE MG 2.900 . 4.400 3.735 3.691 3.748 . 0 0 "[ . 1 . 2]" 1
977 2 10 ILE MG 2 11 GLN H 3.500 . 5.000 2.878 2.648 3.021 . 0 0 "[ . 1 . 2]" 1
978 2 10 ILE H 2 11 GLN H 2.900 . 2.900 2.881 2.846 2.902 0.002 12 0 "[ . 1 . 2]" 1
979 2 10 ILE H 2 12 GLU H 5.000 . 5.000 3.958 3.895 4.021 . 0 0 "[ . 1 . 2]" 1
980 2 11 GLN H 2 11 GLN HA 2.900 . 2.900 2.820 2.812 2.832 . 0 0 "[ . 1 . 2]" 1
981 2 11 GLN HA 2 12 GLU H 3.500 . 3.500 3.511 3.504 3.523 0.023 4 0 "[ . 1 . 2]" 1
982 2 11 GLN HA 2 14 ASP H 2.900 . 2.900 2.948 2.939 2.959 0.059 2 0 "[ . 1 . 2]" 1
983 2 11 GLN H 2 11 GLN QB 2.900 . 3.500 2.194 2.073 2.272 . 0 0 "[ . 1 . 2]" 1
984 2 11 GLN QG 2 12 GLU H 5.000 . 6.000 4.260 3.889 4.541 . 0 0 "[ . 1 . 2]" 1
985 2 12 GLU H 2 12 GLU HA 2.900 . 2.900 2.779 2.768 2.790 . 0 0 "[ . 1 . 2]" 1
986 2 12 GLU HA 2 13 TYR H 3.500 . 3.500 3.522 3.515 3.533 0.033 18 0 "[ . 1 . 2]" 1
987 2 12 GLU HA 2 15 ASN H 3.500 . 3.500 3.529 3.522 3.536 0.036 8 0 "[ . 1 . 2]" 1
988 2 12 GLU H 2 12 GLU QB 2.900 . 3.500 2.158 2.053 2.260 . 0 0 "[ . 1 . 2]" 1
989 2 12 GLU QB 2 13 TYR H 3.500 . 4.500 2.583 2.482 2.727 . 0 0 "[ . 1 . 2]" 1
990 2 12 GLU H 2 12 GLU QG 3.500 . 4.500 3.697 2.896 4.054 . 0 0 "[ . 1 . 2]" 1
991 2 12 GLU H 2 13 TYR H 3.500 . 3.500 2.738 2.696 2.786 . 0 0 "[ . 1 . 2]" 1
992 2 13 TYR HA 2 14 ASP H 3.500 . 3.500 3.507 3.504 3.519 0.019 2 0 "[ . 1 . 2]" 1
993 2 13 TYR HA 2 16 ILE H 2.900 . 2.900 2.944 2.934 2.950 0.050 18 0 "[ . 1 . 2]" 1
994 2 13 TYR H 2 13 TYR QB 3.500 . 4.100 2.244 2.141 2.278 . 0 0 "[ . 1 . 2]" 1
995 2 13 TYR QB 2 14 ASP H 3.500 . 4.500 2.732 2.704 2.756 . 0 0 "[ . 1 . 2]" 1
996 2 13 TYR H 2 13 TYR QD 5.000 . 7.000 4.120 3.869 4.214 . 0 0 "[ . 1 . 2]" 1
997 2 13 TYR QD 2 14 ASP H 5.000 . 7.000 4.253 3.621 4.592 . 0 0 "[ . 1 . 2]" 1
998 2 13 TYR QD 2 16 ILE H 5.000 . 7.000 4.737 4.385 5.007 . 0 0 "[ . 1 . 2]" 1
999 2 13 TYR QD 2 17 ALA H 5.000 . 7.000 4.398 3.341 5.150 . 0 0 "[ . 1 . 2]" 1
1000 2 13 TYR H 2 14 ASP H 2.900 . 2.900 2.465 2.445 2.525 . 0 0 "[ . 1 . 2]" 1
1001 2 14 ASP H 2 14 ASP HA 2.900 . 2.900 2.809 2.803 2.813 . 0 0 "[ . 1 . 2]" 1
1002 2 14 ASP HA 2 15 ASN H 3.500 . 3.500 3.486 3.469 3.495 . 0 0 "[ . 1 . 2]" 1
1003 2 14 ASP HA 2 16 ILE H 5.000 . 5.000 4.410 4.363 4.464 . 0 0 "[ . 1 . 2]" 1
1004 2 14 ASP H 2 14 ASP QB 2.900 . 3.500 2.192 2.064 2.419 . 0 0 "[ . 1 . 2]" 1
1005 2 14 ASP QB 2 15 ASN H 3.500 . 4.500 2.818 2.744 2.892 . 0 0 "[ . 1 . 2]" 1
1006 2 14 ASP H 2 15 ASN H 3.500 . 3.500 2.600 2.582 2.621 . 0 0 "[ . 1 . 2]" 1
1007 2 15 ASN H 2 15 ASN HA 2.900 . 2.900 2.887 2.885 2.888 . 0 0 "[ . 1 . 2]" 1
1008 2 15 ASN HA 2 16 ILE H 3.500 . 3.500 3.514 3.508 3.528 0.028 2 0 "[ . 1 . 2]" 1
1009 2 15 ASN H 2 15 ASN QB 2.900 . 3.500 2.218 2.104 2.474 . 0 0 "[ . 1 . 2]" 1
1010 2 15 ASN QB 2 16 ILE H 5.000 . 6.000 2.777 2.683 2.855 . 0 0 "[ . 1 . 2]" 1
1011 2 15 ASN QD 2 16 ILE H 5.000 . 6.000 4.911 3.829 5.305 . 0 0 "[ . 1 . 2]" 1
1012 2 15 ASN H 2 16 ILE H 2.900 . 2.900 2.369 2.360 2.383 . 0 0 "[ . 1 . 2]" 1
1013 2 16 ILE H 2 16 ILE HA 2.900 . 2.900 2.845 2.789 2.887 . 0 0 "[ . 1 . 2]" 1
1014 2 16 ILE HA 2 17 ALA H 3.500 . 3.500 3.522 3.494 3.550 0.050 17 0 "[ . 1 . 2]" 1
1015 2 16 ILE H 2 16 ILE HB 2.900 . 2.900 2.539 2.486 2.627 . 0 0 "[ . 1 . 2]" 1
1016 2 16 ILE HB 2 17 ALA H 2.900 . 2.900 2.537 1.929 2.868 . 0 0 "[ . 1 . 2]" 1
1017 2 16 ILE H 2 16 ILE MD 2.900 . 4.400 3.176 2.945 3.439 . 0 0 "[ . 1 . 2]" 1
1018 2 16 ILE H 2 16 ILE QG 2.900 . 3.900 2.150 2.013 2.239 . 0 0 "[ . 1 . 2]" 1
1019 2 16 ILE QG 2 17 ALA H 5.000 . 6.000 4.013 3.808 4.128 . 0 0 "[ . 1 . 2]" 1
1020 2 16 ILE H 2 16 ILE MG 2.900 . 4.400 3.769 3.762 3.783 . 0 0 "[ . 1 . 2]" 1
1021 2 16 ILE MG 2 17 ALA H 2.900 . 4.400 3.416 2.771 3.647 . 0 0 "[ . 1 . 2]" 1
1022 2 16 ILE MG 2 18 LYS H 5.000 . 6.500 3.637 1.926 4.819 . 0 0 "[ . 1 . 2]" 1
1023 2 16 ILE H 2 17 ALA H 2.900 . 2.900 2.633 2.475 2.855 . 0 0 "[ . 1 . 2]" 1
1024 2 17 ALA H 2 17 ALA HA 2.900 . 2.900 2.628 2.275 2.935 0.035 15 0 "[ . 1 . 2]" 1
1025 2 17 ALA HA 2 18 LYS H 2.900 . 2.900 2.676 2.225 2.903 0.003 17 0 "[ . 1 . 2]" 1
1026 2 17 ALA H 2 17 ALA MB 2.900 . 4.000 2.521 2.148 2.887 . 0 0 "[ . 1 . 2]" 1
1027 2 17 ALA MB 2 18 LYS H 2.900 . 4.400 3.684 3.550 3.722 . 0 0 "[ . 1 . 2]" 1
1028 2 17 ALA H 2 18 LYS H 3.500 . 3.500 3.113 2.700 3.501 0.001 7 0 "[ . 1 . 2]" 1
1029 2 18 LYS H 2 18 LYS HA 2.900 . 2.900 2.884 2.807 2.938 0.038 19 0 "[ . 1 . 2]" 1
1030 2 18 LYS H 2 18 LYS QB 2.900 . 3.500 2.413 2.067 3.132 . 0 0 "[ . 1 . 2]" 1
1031 2 18 LYS H 2 18 LYS QG 2.900 . 3.900 2.923 1.978 3.566 . 0 0 "[ . 1 . 2]" 1
1032 1 5 VAL HB 2 5 TYR QD 3.500 . 5.500 3.664 2.574 4.745 . 0 0 "[ . 1 . 2]" 1
1033 1 5 VAL HB 2 5 TYR QE 3.500 . 5.500 4.493 3.240 4.904 . 0 0 "[ . 1 . 2]" 1
1034 1 5 VAL QG 2 5 TYR QD 3.500 . 7.900 1.946 1.715 2.479 0.085 14 0 "[ . 1 . 2]" 1
1035 1 5 VAL QG 2 5 TYR QE 3.500 . 7.900 2.177 1.787 2.514 0.013 16 0 "[ . 1 . 2]" 1
1036 1 9 PHE QB 1 9 PHE QD 2.900 . 5.900 2.148 2.125 2.193 . 0 0 "[ . 1 . 2]" 1
1037 1 9 PHE QD 2 9 ALA MB 2.900 . 6.400 2.371 1.890 3.700 . 0 0 "[ . 1 . 2]" 1
1038 1 9 PHE QD 1 13 VAL QG 2.900 . 7.300 3.226 2.763 3.521 . 0 0 "[ . 1 . 2]" 1
1039 1 9 PHE QD 1 27 TYR QE 3.500 . 7.500 4.694 3.986 5.522 . 0 0 "[ . 1 . 2]" 1
1040 1 9 PHE QD 1 65 LEU QD 3.500 . 7.900 2.463 1.919 2.924 . 0 0 "[ . 1 . 2]" 1
1041 1 9 PHE HZ 1 13 VAL QG 3.500 . 5.900 3.631 3.204 4.032 . 0 0 "[ . 1 . 2]" 1
1042 1 9 PHE HZ 1 65 LEU QD 5.000 . 7.400 3.030 2.524 3.698 . 0 0 "[ . 1 . 2]" 1
1043 1 11 HIS HA 1 11 HIS HD2 3.500 . 3.500 2.515 2.417 2.852 . 0 0 "[ . 1 . 2]" 1
1044 1 11 HIS QB 1 11 HIS HD2 3.500 . 4.500 3.276 3.167 3.299 . 0 0 "[ . 1 . 2]" 1
1045 1 13 VAL QG 1 27 TYR QE 3.500 . 7.900 4.438 3.900 4.822 . 0 0 "[ . 1 . 2]" 1
1046 1 15 PHE QB 1 15 PHE QD 2.900 . 5.900 2.140 2.124 2.177 . 0 0 "[ . 1 . 2]" 1
1047 1 23 LYS QB 2 13 TYR QE 5.000 . 8.000 5.039 4.127 5.474 . 0 0 "[ . 1 . 2]" 1
1048 1 23 LYS QD 2 13 TYR QD 5.000 . 8.000 5.149 4.340 5.775 . 0 0 "[ . 1 . 2]" 1
1049 1 23 LYS QD 2 13 TYR QE 3.500 . 6.500 4.093 3.658 4.581 . 0 0 "[ . 1 . 2]" 1
1050 1 23 LYS QD 1 27 TYR QE 3.500 . 6.500 2.116 1.862 2.795 . 0 0 "[ . 1 . 2]" 1
1051 1 23 LYS QE 2 13 TYR QE 5.000 . 8.000 5.936 5.402 6.350 . 0 0 "[ . 1 . 2]" 1
1052 1 23 LYS QG 2 13 TYR QE 3.500 . 6.500 5.018 3.743 5.168 . 0 0 "[ . 1 . 2]" 1
1053 1 24 ASP HA 2 13 TYR QD 5.000 . 7.000 5.939 5.186 6.244 . 0 0 "[ . 1 . 2]" 1
1054 1 24 ASP HA 2 13 TYR QE 3.500 . 5.500 4.137 3.100 4.630 . 0 0 "[ . 1 . 2]" 1
1055 1 24 ASP QB 2 13 TYR QE 5.000 . 8.000 5.600 4.848 6.056 . 0 0 "[ . 1 . 2]" 1
1056 1 25 TYR QB 1 25 TYR QD 2.900 . 5.900 2.143 2.135 2.197 . 0 0 "[ . 1 . 2]" 1
1057 1 25 TYR QD 1 29 VAL QG 3.500 . 7.900 2.964 2.483 3.354 . 0 0 "[ . 1 . 2]" 1
1058 1 25 TYR QD 1 49 VAL HB 2.900 . 4.900 4.369 4.268 4.435 . 0 0 "[ . 1 . 2]" 1
1059 1 25 TYR QD 1 49 VAL QG 2.900 . 7.300 1.888 1.769 1.990 0.031 20 0 "[ . 1 . 2]" 1
1060 1 25 TYR QE 1 29 VAL QG 2.900 . 7.300 2.880 2.454 4.689 . 0 0 "[ . 1 . 2]" 1
1061 1 25 TYR QE 1 49 VAL HB 3.500 . 5.500 4.785 3.969 4.904 . 0 0 "[ . 1 . 2]" 1
1062 1 25 TYR QE 1 49 VAL QG 2.900 . 7.300 2.400 1.709 2.557 0.091 17 0 "[ . 1 . 2]" 1
1063 1 27 TYR QB 2 13 TYR QD 5.000 . 8.000 3.340 2.547 4.257 . 0 0 "[ . 1 . 2]" 1
1064 1 27 TYR QB 2 13 TYR QE 3.500 . 6.500 2.937 2.213 3.763 . 0 0 "[ . 1 . 2]" 1
1065 1 27 TYR QD 2 10 ILE MG 3.500 . 7.000 5.078 4.783 5.197 . 0 0 "[ . 1 . 2]" 1
1066 1 27 TYR QD 2 13 TYR QB 5.000 . 8.000 3.317 2.939 3.737 . 0 0 "[ . 1 . 2]" 1
1067 1 27 TYR QD 2 13 TYR QD 3.500 . 7.500 3.333 2.882 3.750 . 0 0 "[ . 1 . 2]" 1
1068 1 27 TYR QD 2 13 TYR QE 5.000 . 9.000 3.194 2.780 3.457 . 0 0 "[ . 1 . 2]" 1
1069 1 27 TYR QE 2 10 ILE MG 5.000 . 8.500 5.712 5.127 6.087 . 0 0 "[ . 1 . 2]" 1
1070 1 27 TYR QE 2 13 TYR QB 3.500 . 6.500 2.426 2.032 2.778 . 0 0 "[ . 1 . 2]" 1
1071 1 27 TYR QE 2 13 TYR QD 3.500 . 7.500 3.184 2.855 3.485 . 0 0 "[ . 1 . 2]" 1
1072 1 27 TYR QE 2 13 TYR QE 3.500 . 7.500 2.987 2.515 3.563 . 0 0 "[ . 1 . 2]" 1
1073 1 27 TYR QE 1 30 LEU QD 3.500 . 7.900 3.897 3.459 4.331 . 0 0 "[ . 1 . 2]" 1
1074 1 33 TYR HA 1 33 TYR QD 3.500 . 5.500 2.289 2.082 3.063 . 0 0 "[ . 1 . 2]" 1
1075 1 33 TYR QB 1 33 TYR QD 2.900 . 5.900 2.193 2.137 2.241 . 0 0 "[ . 1 . 2]" 1
1076 1 33 TYR QD 1 37 MET HA 3.500 . 5.500 3.191 1.996 4.322 . 0 0 "[ . 1 . 2]" 1
1077 1 33 TYR QD 1 42 LEU QD 3.500 . 7.900 2.462 2.145 2.692 . 0 0 "[ . 1 . 2]" 1
1078 1 33 TYR QD 1 66 ILE MD 3.500 . 7.000 4.323 3.423 4.959 . 0 0 "[ . 1 . 2]" 1
1079 1 33 TYR QE 1 37 MET HA 3.500 . 5.500 3.516 2.888 4.608 . 0 0 "[ . 1 . 2]" 1
1080 1 33 TYR QE 1 38 ASP HA 5.000 . 7.000 3.959 3.077 5.074 . 0 0 "[ . 1 . 2]" 1
1081 1 33 TYR QE 1 42 LEU QD 3.500 . 7.900 2.720 2.440 3.338 . 0 0 "[ . 1 . 2]" 1
1082 1 33 TYR QE 1 66 ILE MD 2.900 . 6.400 3.409 1.959 4.508 . 0 0 "[ . 1 . 2]" 1
1083 1 33 TYR QE 1 67 PRO QD 3.500 . 6.500 3.282 2.315 3.885 . 0 0 "[ . 1 . 2]" 1
1084 1 34 HIS QB 1 34 HIS HD2 3.500 . 4.500 2.688 2.626 2.808 . 0 0 "[ . 1 . 2]" 1
1085 1 34 HIS HD2 2 10 ILE MD 5.000 . 6.500 2.567 1.866 3.724 . 0 0 "[ . 1 . 2]" 1
1086 1 34 HIS HD2 2 10 ILE MG 2.900 . 4.400 3.668 3.663 3.674 . 0 0 "[ . 1 . 2]" 1
1087 1 34 HIS HD2 1 37 MET ME 2.900 . 4.400 3.647 3.278 3.676 . 0 0 "[ . 1 . 2]" 1
1088 1 39 VAL QG 1 70 HIS HD2 3.500 . 5.900 3.857 3.255 4.353 . 0 0 "[ . 1 . 2]" 1
1089 1 42 LEU QD 1 74 TYR QD 3.500 . 7.900 3.305 2.543 4.675 . 0 0 "[ . 1 . 2]" 1
1090 1 42 LEU QD 1 74 TYR QE 3.500 . 7.900 2.473 1.809 4.241 . 0 0 "[ . 1 . 2]" 1
1091 1 50 ILE MD 1 59 PHE QD 3.500 . 7.000 3.106 2.233 4.423 . 0 0 "[ . 1 . 2]" 1
1092 1 50 ILE MD 1 59 PHE QE 3.500 . 7.000 2.415 1.917 3.968 . 0 0 "[ . 1 . 2]" 1
1093 1 50 ILE MD 1 59 PHE HZ 3.500 . 5.000 3.137 2.657 4.178 . 0 0 "[ . 1 . 2]" 1
1094 1 50 ILE QG 1 59 PHE HZ 5.000 . 6.000 4.495 3.994 5.351 . 0 0 "[ . 1 . 2]" 1
1095 1 50 ILE MG 1 59 PHE QD 3.500 . 7.000 3.403 2.545 3.932 . 0 0 "[ . 1 . 2]" 1
1096 1 50 ILE MG 1 59 PHE QE 3.500 . 7.000 2.301 1.893 2.828 . 0 0 "[ . 1 . 2]" 1
1097 1 56 LEU QD 1 59 PHE QD 2.900 . 7.300 2.415 1.935 3.819 . 0 0 "[ . 1 . 2]" 1
1098 1 56 LEU QD 1 59 PHE QE 2.900 . 7.300 2.416 1.826 4.323 . 0 0 "[ . 1 . 2]" 1
1099 1 56 LEU QD 1 59 PHE HZ 5.000 . 7.400 4.280 3.560 5.153 . 0 0 "[ . 1 . 2]" 1
1100 1 59 PHE QB 1 59 PHE QD 2.900 . 5.900 2.153 2.123 2.237 . 0 0 "[ . 1 . 2]" 1
1101 1 59 PHE QD 1 74 TYR QE 5.000 . 9.000 3.025 1.996 3.782 . 0 0 "[ . 1 . 2]" 1
1102 1 59 PHE QD 1 78 THR MG 2.900 . 6.400 3.309 1.935 4.198 . 0 0 "[ . 1 . 2]" 1
1103 1 59 PHE QE 1 74 TYR QE 5.000 . 9.000 4.589 3.416 5.312 . 0 0 "[ . 1 . 2]" 1
1104 1 59 PHE QE 1 78 THR MG 3.500 . 7.000 3.688 1.982 4.603 . 0 0 "[ . 1 . 2]" 1
1105 1 59 PHE HZ 1 78 THR MG 5.000 . 6.500 4.818 3.977 5.415 . 0 0 "[ . 1 . 2]" 1
1106 1 62 ILE MG 1 74 TYR QD 5.000 . 8.500 5.171 4.624 5.708 . 0 0 "[ . 1 . 2]" 1
1107 1 62 ILE MG 1 74 TYR QE 3.500 . 7.000 4.331 3.526 5.056 . 0 0 "[ . 1 . 2]" 1
1108 1 65 LEU QD 2 5 TYR QD 3.500 . 7.900 4.220 2.964 4.880 . 0 0 "[ . 1 . 2]" 1
1109 1 66 ILE MD 1 74 TYR QD 3.500 . 7.000 2.949 2.323 3.477 . 0 0 "[ . 1 . 2]" 1
1110 1 66 ILE MD 1 74 TYR QE 3.500 . 7.000 3.184 1.960 3.909 . 0 0 "[ . 1 . 2]" 1
1111 1 66 ILE QG 1 74 TYR QD 5.000 . 8.000 4.738 3.853 5.377 . 0 0 "[ . 1 . 2]" 1
1112 1 69 LYS HA 1 70 HIS HD2 5.000 . 5.000 4.852 4.429 5.019 0.019 15 0 "[ . 1 . 2]" 1
1113 1 69 LYS QB 1 70 HIS HD2 3.500 . 4.500 3.030 2.004 3.642 . 0 0 "[ . 1 . 2]" 1
1114 1 69 LYS QD 1 70 HIS HD2 5.000 . 6.000 3.786 2.683 4.774 . 0 0 "[ . 1 . 2]" 1
1115 1 69 LYS QE 1 70 HIS HD2 5.000 . 6.000 4.005 2.997 5.032 . 0 0 "[ . 1 . 2]" 1
1116 1 69 LYS QG 1 70 HIS HD2 3.500 . 4.500 2.595 1.908 4.016 . 0 0 "[ . 1 . 2]" 1
1117 1 70 HIS HA 1 70 HIS HD2 2.900 . 2.900 2.628 2.379 2.908 0.008 1 0 "[ . 1 . 2]" 1
1118 1 70 HIS QB 1 70 HIS HD2 3.500 . 4.500 3.269 3.150 3.299 . 0 0 "[ . 1 . 2]" 1
1119 1 74 TYR HA 1 74 TYR QD 2.900 . 4.900 2.894 2.274 3.189 . 0 0 "[ . 1 . 2]" 1
1120 1 74 TYR HA 1 74 TYR QE 5.000 . 7.000 4.631 4.385 4.808 . 0 0 "[ . 1 . 2]" 1
1121 1 74 TYR QB 1 74 TYR QD 2.900 . 5.900 2.138 2.133 2.154 . 0 0 "[ . 1 . 2]" 1
1122 2 5 TYR HA 2 5 TYR QD 2.900 . 4.900 2.637 1.995 3.128 . 0 0 "[ . 1 . 2]" 1
1123 2 5 TYR QB 2 5 TYR QD 2.900 . 5.900 2.151 2.135 2.198 . 0 0 "[ . 1 . 2]" 1
1124 2 13 TYR HA 2 13 TYR QD 2.900 . 4.900 2.386 1.973 3.008 . 0 0 "[ . 1 . 2]" 1
1125 2 13 TYR HA 2 13 TYR QE 3.500 . 5.500 4.380 4.121 4.709 . 0 0 "[ . 1 . 2]" 1
1126 2 13 TYR QB 2 13 TYR QD 2.900 . 5.900 2.157 2.135 2.194 . 0 0 "[ . 1 . 2]" 1
1127 2 13 TYR QD 2 16 ILE MD 5.000 . 8.500 2.487 1.938 4.074 . 0 0 "[ . 1 . 2]" 1
1128 2 13 TYR QE 2 16 ILE MD 3.000 . 6.500 3.927 3.100 4.823 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 88
_Distance_constraint_stats_list.Viol_count 506
_Distance_constraint_stats_list.Viol_total 178.272
_Distance_constraint_stats_list.Viol_max 0.095
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0176
_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 LYS 0.085 0.024 1 0 "[ . 1 . 2]"
1 5 VAL 0.003 0.003 15 0 "[ . 1 . 2]"
1 6 ALA 0.011 0.011 1 0 "[ . 1 . 2]"
1 7 ARG 0.162 0.021 18 0 "[ . 1 . 2]"
1 8 GLU 0.116 0.024 1 0 "[ . 1 . 2]"
1 9 PHE 0.155 0.016 15 0 "[ . 1 . 2]"
1 10 ARG 0.059 0.013 1 0 "[ . 1 . 2]"
1 11 HIS 0.178 0.021 18 0 "[ . 1 . 2]"
1 12 LYS 0.877 0.053 6 0 "[ . 1 . 2]"
1 13 VAL 0.239 0.023 19 0 "[ . 1 . 2]"
1 14 ASP 0.048 0.013 1 0 "[ . 1 . 2]"
1 15 PHE 0.015 0.010 1 0 "[ . 1 . 2]"
1 16 LEU 0.846 0.053 6 0 "[ . 1 . 2]"
1 17 ILE 0.087 0.023 19 0 "[ . 1 . 2]"
1 21 ALA 0.158 0.026 17 0 "[ . 1 . 2]"
1 22 GLU 0.039 0.016 9 0 "[ . 1 . 2]"
1 23 LYS 0.168 0.015 15 0 "[ . 1 . 2]"
1 24 ASP 0.002 0.002 4 0 "[ . 1 . 2]"
1 25 TYR 0.184 0.026 17 0 "[ . 1 . 2]"
1 26 LEU 0.042 0.016 9 0 "[ . 1 . 2]"
1 27 TYR 0.316 0.019 3 0 "[ . 1 . 2]"
1 28 ASP 0.038 0.019 14 0 "[ . 1 . 2]"
1 29 VAL 0.034 0.011 7 0 "[ . 1 . 2]"
1 30 LEU 0.227 0.029 19 0 "[ . 1 . 2]"
1 31 ARG 0.148 0.019 3 0 "[ . 1 . 2]"
1 32 MET 0.036 0.019 14 0 "[ . 1 . 2]"
1 33 TYR 0.008 0.004 8 0 "[ . 1 . 2]"
1 34 HIS 0.224 0.029 19 0 "[ . 1 . 2]"
1 39 VAL 0.463 0.033 6 0 "[ . 1 . 2]"
1 41 VAL 0.072 0.025 5 0 "[ . 1 . 2]"
1 42 LEU 0.011 0.011 1 0 "[ . 1 . 2]"
1 43 VAL 0.605 0.033 6 0 "[ . 1 . 2]"
1 44 GLY 0.210 0.033 17 0 "[ . 1 . 2]"
1 45 ASP 0.651 0.064 3 0 "[ . 1 . 2]"
1 46 LEU 0.137 0.034 2 0 "[ . 1 . 2]"
1 47 LYS 1.539 0.095 3 0 "[ . 1 . 2]"
1 48 LEU 0.210 0.033 17 0 "[ . 1 . 2]"
1 49 VAL 0.579 0.064 3 0 "[ . 1 . 2]"
1 50 ILE 0.126 0.034 2 0 "[ . 1 . 2]"
1 51 ASN 1.397 0.095 3 0 "[ . 1 . 2]"
1 59 PHE 0.593 0.054 10 0 "[ . 1 . 2]"
1 63 ARG 0.593 0.054 10 0 "[ . 1 . 2]"
1 69 LYS 1.121 0.065 1 0 "[ . 1 . 2]"
1 70 HIS 0.363 0.028 16 0 "[ . 1 . 2]"
1 71 GLN 0.311 0.028 15 0 "[ . 1 . 2]"
1 72 VAL 0.006 0.004 9 0 "[ . 1 . 2]"
1 73 GLU 1.172 0.065 1 0 "[ . 1 . 2]"
1 74 TYR 0.434 0.028 16 0 "[ . 1 . 2]"
1 75 ASP 0.311 0.028 15 0 "[ . 1 . 2]"
1 76 GLN 0.006 0.004 9 0 "[ . 1 . 2]"
1 77 LEU 0.051 0.024 4 0 "[ . 1 . 2]"
1 78 THR 0.071 0.015 10 0 "[ . 1 . 2]"
2 5 TYR 0.129 0.022 15 0 "[ . 1 . 2]"
2 6 LEU 0.159 0.023 11 0 "[ . 1 . 2]"
2 7 ARG 0.076 0.016 1 0 "[ . 1 . 2]"
2 8 GLU 0.045 0.013 9 0 "[ . 1 . 2]"
2 9 ALA 0.251 0.022 15 0 "[ . 1 . 2]"
2 10 ILE 0.541 0.028 8 0 "[ . 1 . 2]"
2 11 GLN 0.076 0.016 1 0 "[ . 1 . 2]"
2 12 GLU 0.258 0.022 2 0 "[ . 1 . 2]"
2 13 TYR 0.143 0.020 6 0 "[ . 1 . 2]"
2 14 ASP 0.383 0.028 8 0 "[ . 1 . 2]"
2 15 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 ILE 0.213 0.022 2 0 "[ . 1 . 2]"
2 17 ALA 0.020 0.005 2 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 4 LYS O 1 8 GLU N 3.300 2.200 3.300 2.767 2.726 2.875 . 0 0 "[ . 1 . 2]" 2
2 1 4 LYS O 1 8 GLU H 2.200 . 2.200 1.828 1.776 1.960 0.024 1 0 "[ . 1 . 2]" 2
3 1 5 VAL O 1 9 PHE N 3.300 2.200 3.300 3.010 2.853 3.127 . 0 0 "[ . 1 . 2]" 2
4 1 5 VAL O 1 9 PHE H 2.200 . 2.200 2.086 1.998 2.203 0.003 15 0 "[ . 1 . 2]" 2
5 1 6 ALA O 1 10 ARG N 3.300 2.200 3.300 2.785 2.687 2.916 . 0 0 "[ . 1 . 2]" 2
6 1 6 ALA O 1 10 ARG H 2.200 . 2.200 1.903 1.789 1.989 0.011 1 0 "[ . 1 . 2]" 2
7 1 7 ARG O 1 11 HIS N 3.300 2.200 3.300 2.684 2.651 2.717 . 0 0 "[ . 1 . 2]" 2
8 1 7 ARG O 1 11 HIS H 2.200 . 2.200 1.793 1.779 1.820 0.021 18 0 "[ . 1 . 2]" 2
9 1 8 GLU O 1 12 LYS N 3.300 2.200 3.300 2.805 2.656 3.037 . 0 0 "[ . 1 . 2]" 2
10 1 8 GLU O 1 12 LYS H 2.200 . 2.200 1.886 1.791 2.206 0.009 20 0 "[ . 1 . 2]" 2
11 1 9 PHE O 1 13 VAL N 3.300 2.200 3.300 3.156 3.048 3.181 . 0 0 "[ . 1 . 2]" 2
12 1 9 PHE O 1 13 VAL H 2.200 . 2.200 2.203 2.098 2.216 0.016 15 0 "[ . 1 . 2]" 2
13 1 10 ARG O 1 14 ASP N 3.300 2.200 3.300 3.010 2.829 3.177 . 0 0 "[ . 1 . 2]" 2
14 1 10 ARG O 1 14 ASP H 2.200 . 2.200 2.126 1.918 2.213 0.013 1 0 "[ . 1 . 2]" 2
15 1 11 HIS O 1 15 PHE N 3.300 2.200 3.300 2.840 2.707 2.951 . 0 0 "[ . 1 . 2]" 2
16 1 11 HIS O 1 15 PHE H 2.200 . 2.200 2.111 1.972 2.210 0.010 1 0 "[ . 1 . 2]" 2
17 1 12 LYS O 1 16 LEU N 3.300 2.200 3.300 3.092 3.057 3.173 . 0 0 "[ . 1 . 2]" 2
18 1 12 LYS O 1 16 LEU H 2.200 . 2.200 2.242 2.214 2.253 0.053 6 0 "[ . 1 . 2]" 2
19 1 13 VAL O 1 17 ILE N 3.300 2.200 3.300 2.804 2.707 3.078 . 0 0 "[ . 1 . 2]" 2
20 1 13 VAL O 1 17 ILE H 2.200 . 2.200 1.861 1.777 2.152 0.023 19 0 "[ . 1 . 2]" 2
21 1 21 ALA O 1 25 TYR N 3.300 2.200 3.300 3.148 3.100 3.166 . 0 0 "[ . 1 . 2]" 2
22 1 21 ALA O 1 25 TYR H 2.200 . 2.200 2.205 2.159 2.226 0.026 17 0 "[ . 1 . 2]" 2
23 1 22 GLU O 1 26 LEU N 3.300 2.200 3.300 2.813 2.752 2.901 . 0 0 "[ . 1 . 2]" 2
24 1 22 GLU O 1 26 LEU H 2.200 . 2.200 1.843 1.784 1.925 0.016 9 0 "[ . 1 . 2]" 2
25 1 23 LYS O 1 27 TYR N 3.300 2.200 3.300 2.681 2.637 2.714 . 0 0 "[ . 1 . 2]" 2
26 1 23 LYS O 1 27 TYR H 2.200 . 2.200 1.792 1.785 1.803 0.015 15 0 "[ . 1 . 2]" 2
27 1 24 ASP O 1 28 ASP N 3.300 2.200 3.300 2.870 2.692 2.947 . 0 0 "[ . 1 . 2]" 2
28 1 24 ASP O 1 28 ASP H 2.200 . 2.200 2.126 1.970 2.202 0.002 4 0 "[ . 1 . 2]" 2
29 1 25 TYR O 1 29 VAL N 3.300 2.200 3.300 2.645 2.590 2.787 . 0 0 "[ . 1 . 2]" 2
30 1 25 TYR O 1 29 VAL H 2.200 . 2.200 1.832 1.789 2.007 0.011 7 0 "[ . 1 . 2]" 2
31 1 26 LEU O 1 30 LEU N 3.300 2.200 3.300 3.024 2.857 3.154 . 0 0 "[ . 1 . 2]" 2
32 1 26 LEU O 1 30 LEU H 2.200 . 2.200 2.063 1.891 2.203 0.003 17 0 "[ . 1 . 2]" 2
33 1 27 TYR O 1 31 ARG N 3.300 2.200 3.300 3.082 3.001 3.161 . 0 0 "[ . 1 . 2]" 2
34 1 27 TYR O 1 31 ARG H 2.200 . 2.200 2.202 2.124 2.219 0.019 3 0 "[ . 1 . 2]" 2
35 1 28 ASP O 1 32 MET N 3.300 2.200 3.300 2.906 2.750 3.094 . 0 0 "[ . 1 . 2]" 2
36 1 28 ASP O 1 32 MET H 2.200 . 2.200 2.031 1.883 2.219 0.019 14 0 "[ . 1 . 2]" 2
37 1 29 VAL O 1 33 TYR N 3.300 2.200 3.300 2.842 2.658 3.167 . 0 0 "[ . 1 . 2]" 2
38 1 29 VAL O 1 33 TYR H 2.200 . 2.200 1.920 1.796 2.202 0.004 8 0 "[ . 1 . 2]" 2
39 1 30 LEU O 1 34 HIS N 3.300 2.200 3.300 3.013 2.880 3.112 . 0 0 "[ . 1 . 2]" 2
40 1 30 LEU O 1 34 HIS H 2.200 . 2.200 2.206 2.115 2.229 0.029 19 0 "[ . 1 . 2]" 2
41 1 39 VAL O 1 43 VAL N 3.300 2.200 3.300 3.148 3.123 3.179 . 0 0 "[ . 1 . 2]" 2
42 1 39 VAL O 1 43 VAL H 2.200 . 2.200 2.223 2.211 2.233 0.033 6 0 "[ . 1 . 2]" 2
43 1 41 VAL O 1 45 ASP N 3.300 2.200 3.300 3.113 2.870 3.200 . 0 0 "[ . 1 . 2]" 2
44 1 41 VAL O 1 45 ASP H 2.200 . 2.200 2.140 1.893 2.225 0.025 5 0 "[ . 1 . 2]" 2
45 1 42 LEU O 1 46 LEU N 3.300 2.200 3.300 2.900 2.722 3.065 . 0 0 "[ . 1 . 2]" 2
46 1 42 LEU O 1 46 LEU H 2.200 . 2.200 1.973 1.789 2.132 0.011 1 0 "[ . 1 . 2]" 2
47 1 43 VAL O 1 47 LYS N 3.300 2.200 3.300 3.038 2.610 3.117 . 0 0 "[ . 1 . 2]" 2
48 1 43 VAL O 1 47 LYS H 2.200 . 2.200 2.171 1.836 2.213 0.013 8 0 "[ . 1 . 2]" 2
49 1 44 GLY O 1 48 LEU N 3.300 2.200 3.300 3.165 3.075 3.198 . 0 0 "[ . 1 . 2]" 2
50 1 44 GLY O 1 48 LEU H 2.200 . 2.200 2.203 2.119 2.233 0.033 17 0 "[ . 1 . 2]" 2
51 1 45 ASP O 1 49 VAL N 3.300 2.200 3.300 3.018 2.928 3.088 . 0 0 "[ . 1 . 2]" 2
52 1 45 ASP O 1 49 VAL H 2.200 . 2.200 2.229 2.216 2.264 0.064 3 0 "[ . 1 . 2]" 2
53 1 46 LEU O 1 50 ILE N 3.300 2.200 3.300 2.540 2.482 2.568 . 0 0 "[ . 1 . 2]" 2
54 1 46 LEU O 1 50 ILE H 2.200 . 2.200 1.799 1.766 1.821 0.034 2 0 "[ . 1 . 2]" 2
55 1 47 LYS O 1 51 ASN N 3.300 2.200 3.300 2.502 2.443 2.524 . 0 0 "[ . 1 . 2]" 2
56 1 47 LYS O 1 51 ASN H 2.200 . 2.200 2.270 2.256 2.295 0.095 3 0 "[ . 1 . 2]" 2
57 1 59 PHE O 1 63 ARG N 3.300 2.200 3.300 3.125 3.087 3.176 . 0 0 "[ . 1 . 2]" 2
58 1 59 PHE O 1 63 ARG H 2.200 . 2.200 2.230 2.213 2.254 0.054 10 0 "[ . 1 . 2]" 2
59 1 69 LYS O 1 73 GLU N 3.300 2.200 3.300 3.238 3.222 3.249 . 0 0 "[ . 1 . 2]" 2
60 1 69 LYS O 1 73 GLU H 2.200 . 2.200 2.256 2.246 2.265 0.065 1 0 "[ . 1 . 2]" 2
61 1 70 HIS O 1 74 TYR N 3.300 2.200 3.300 2.588 2.561 2.617 . 0 0 "[ . 1 . 2]" 2
62 1 70 HIS O 1 74 TYR H 2.200 . 2.200 1.782 1.772 1.798 0.028 16 0 "[ . 1 . 2]" 2
63 1 71 GLN O 1 75 ASP N 3.300 2.200 3.300 2.967 2.929 2.995 . 0 0 "[ . 1 . 2]" 2
64 1 71 GLN O 1 75 ASP H 2.200 . 2.200 2.216 2.204 2.228 0.028 15 0 "[ . 1 . 2]" 2
65 1 72 VAL O 1 76 GLN N 3.300 2.200 3.300 2.970 2.887 3.045 . 0 0 "[ . 1 . 2]" 2
66 1 72 VAL O 1 76 GLN H 2.200 . 2.200 2.107 1.955 2.204 0.004 9 0 "[ . 1 . 2]" 2
67 1 73 GLU O 1 77 LEU N 3.300 2.200 3.300 2.962 2.666 3.067 . 0 0 "[ . 1 . 2]" 2
68 1 73 GLU O 1 77 LEU H 2.200 . 2.200 2.142 1.969 2.224 0.024 4 0 "[ . 1 . 2]" 2
69 1 74 TYR O 1 78 THR N 3.300 2.200 3.300 3.004 2.662 3.133 . 0 0 "[ . 1 . 2]" 2
70 1 74 TYR O 1 78 THR H 2.200 . 2.200 2.144 1.795 2.215 0.015 10 0 "[ . 1 . 2]" 2
71 2 5 TYR O 2 9 ALA N 3.300 2.200 3.300 3.171 3.144 3.183 . 0 0 "[ . 1 . 2]" 2
72 2 5 TYR O 2 9 ALA H 2.200 . 2.200 2.204 2.172 2.222 0.022 15 0 "[ . 1 . 2]" 2
73 2 6 LEU O 2 10 ILE N 3.300 2.200 3.300 2.735 2.678 2.931 . 0 0 "[ . 1 . 2]" 2
74 2 6 LEU O 2 10 ILE H 2.200 . 2.200 1.814 1.777 2.039 0.023 11 0 "[ . 1 . 2]" 2
75 2 7 ARG O 2 11 GLN N 3.300 2.200 3.300 2.723 2.661 2.823 . 0 0 "[ . 1 . 2]" 2
76 2 7 ARG O 2 11 GLN H 2.200 . 2.200 1.810 1.784 1.921 0.016 1 0 "[ . 1 . 2]" 2
77 2 8 GLU O 2 12 GLU N 3.300 2.200 3.300 2.997 2.878 3.078 . 0 0 "[ . 1 . 2]" 2
78 2 8 GLU O 2 12 GLU H 2.200 . 2.200 2.165 2.086 2.213 0.013 9 0 "[ . 1 . 2]" 2
79 2 9 ALA O 2 13 TYR N 3.300 2.200 3.300 3.085 3.015 3.132 . 0 0 "[ . 1 . 2]" 2
80 2 9 ALA O 2 13 TYR H 2.200 . 2.200 2.194 2.101 2.220 0.020 6 0 "[ . 1 . 2]" 2
81 2 10 ILE O 2 14 ASP N 3.300 2.200 3.300 3.083 3.058 3.103 . 0 0 "[ . 1 . 2]" 2
82 2 10 ILE O 2 14 ASP H 2.200 . 2.200 2.219 2.210 2.228 0.028 8 0 "[ . 1 . 2]" 2
83 2 11 GLN O 2 15 ASN N 3.300 2.200 3.300 2.890 2.785 2.968 . 0 0 "[ . 1 . 2]" 2
84 2 11 GLN O 2 15 ASN H 2.200 . 2.200 2.094 1.974 2.170 . 0 0 "[ . 1 . 2]" 2
85 2 12 GLU O 2 16 ILE N 3.300 2.200 3.300 3.060 3.020 3.092 . 0 0 "[ . 1 . 2]" 2
86 2 12 GLU O 2 16 ILE H 2.200 . 2.200 2.211 2.198 2.222 0.022 2 0 "[ . 1 . 2]" 2
87 2 13 TYR O 2 17 ALA N 3.300 2.200 3.300 2.809 2.575 3.137 . 0 0 "[ . 1 . 2]" 2
88 2 13 TYR O 2 17 ALA H 2.200 . 2.200 1.930 1.795 2.205 0.005 2 0 "[ . 1 . 2]" 2
stop_
save_
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