NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
441869 |
2kbq   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kbq
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 918
_Distance_constraint_stats_list.Viol_count 635
_Distance_constraint_stats_list.Viol_total 405.859
_Distance_constraint_stats_list.Viol_max 0.221
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0320
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.090 0.055 4 0 "[ . 1 . 2]"
1 6 ALA 0.719 0.043 9 0 "[ . 1 . 2]"
1 7 ARG 1.593 0.048 14 0 "[ . 1 . 2]"
1 8 GLU 0.875 0.048 14 0 "[ . 1 . 2]"
1 9 PHE 0.003 0.003 4 0 "[ . 1 . 2]"
1 10 ARG 0.028 0.011 4 0 "[ . 1 . 2]"
1 11 HIS 0.001 0.001 4 0 "[ . 1 . 2]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 1.617 0.178 7 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 PHE 0.023 0.011 18 0 "[ . 1 . 2]"
1 16 LEU 1.373 0.221 3 0 "[ . 1 . 2]"
1 17 ILE 2.312 0.128 20 0 "[ . 1 . 2]"
1 18 GLU 1.007 0.053 7 0 "[ . 1 . 2]"
1 19 ASN 0.468 0.077 9 0 "[ . 1 . 2]"
1 20 ASP 0.368 0.056 15 0 "[ . 1 . 2]"
1 21 ALA 1.119 0.056 15 0 "[ . 1 . 2]"
1 22 GLU 1.321 0.079 20 0 "[ . 1 . 2]"
1 23 LYS 0.462 0.046 14 0 "[ . 1 . 2]"
1 24 ASP 0.222 0.016 13 0 "[ . 1 . 2]"
1 25 TYR 0.010 0.010 20 0 "[ . 1 . 2]"
1 26 LEU 0.603 0.137 14 0 "[ . 1 . 2]"
1 27 TYR 0.643 0.035 12 0 "[ . 1 . 2]"
1 28 ASP 0.223 0.028 5 0 "[ . 1 . 2]"
1 29 VAL 1.089 0.150 10 0 "[ . 1 . 2]"
1 30 LEU 0.500 0.115 9 0 "[ . 1 . 2]"
1 31 ARG 0.435 0.050 17 0 "[ . 1 . 2]"
1 32 MET 0.481 0.050 17 0 "[ . 1 . 2]"
1 33 TYR 0.129 0.018 2 0 "[ . 1 . 2]"
1 34 HIS 0.079 0.015 2 0 "[ . 1 . 2]"
1 35 GLN 0.651 0.050 9 0 "[ . 1 . 2]"
1 36 THR 0.696 0.050 9 0 "[ . 1 . 2]"
1 37 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASP 0.067 0.038 7 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.374 0.038 7 0 "[ . 1 . 2]"
1 42 LEU 0.641 0.087 14 0 "[ . 1 . 2]"
1 43 VAL 0.252 0.175 8 0 "[ . 1 . 2]"
1 44 GLY 0.051 0.051 17 0 "[ . 1 . 2]"
1 45 ASP 0.971 0.150 10 0 "[ . 1 . 2]"
1 46 LEU 0.528 0.128 4 0 "[ . 1 . 2]"
1 47 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.204 0.046 4 0 "[ . 1 . 2]"
1 49 VAL 1.665 0.137 14 0 "[ . 1 . 2]"
1 50 ILE 2.600 0.128 4 0 "[ . 1 . 2]"
1 51 ASN 0.108 0.022 8 0 "[ . 1 . 2]"
1 52 GLU 0.022 0.022 8 0 "[ . 1 . 2]"
1 53 PRO 0.004 0.004 17 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.672 0.118 19 0 "[ . 1 . 2]"
1 56 LEU 0.011 0.007 9 0 "[ . 1 . 2]"
1 57 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 1.855 0.221 3 0 "[ . 1 . 2]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.805 0.048 1 0 "[ . 1 . 2]"
1 61 ALA 0.805 0.048 1 0 "[ . 1 . 2]"
1 62 ILE 0.416 0.125 9 0 "[ . 1 . 2]"
1 63 ARG 0.002 0.002 10 0 "[ . 1 . 2]"
1 64 PRO 0.090 0.055 4 0 "[ . 1 . 2]"
1 65 LEU 0.507 0.115 9 0 "[ . 1 . 2]"
1 66 ILE 0.659 0.095 6 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.096 0.019 17 0 "[ . 1 . 2]"
1 69 LYS 0.090 0.015 1 0 "[ . 1 . 2]"
1 70 HIS 0.400 0.095 6 0 "[ . 1 . 2]"
1 71 GLN 0.880 0.046 13 0 "[ . 1 . 2]"
1 72 VAL 0.751 0.046 13 0 "[ . 1 . 2]"
1 73 GLU 1.127 0.063 13 0 "[ . 1 . 2]"
1 74 TYR 0.288 0.022 8 0 "[ . 1 . 2]"
1 75 ASP 0.288 0.022 8 0 "[ . 1 . 2]"
1 76 GLN 1.134 0.063 13 0 "[ . 1 . 2]"
1 77 LEU 0.659 0.053 14 0 "[ . 1 . 2]"
1 78 THR 0.709 0.175 8 0 "[ . 1 . 2]"
1 79 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LYS HA 1 4 LYS QG 3.300 . 4.300 2.683 2.042 3.402 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS HA 1 7 ARG QB 3.300 . 4.300 3.726 3.199 3.915 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS QB 1 4 LYS QD 2.700 . 4.700 2.128 1.961 2.333 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS QE 1 4 LYS QG 3.300 . 5.300 2.149 1.960 2.611 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS QE 1 5 VAL QG 3.300 . 6.700 3.352 2.272 4.122 . 0 0 "[ . 1 . 2]" 1
6 1 5 VAL HA 1 5 VAL QG 2.700 . 4.400 2.056 2.000 2.134 . 0 0 "[ . 1 . 2]" 1
7 1 5 VAL HA 1 8 GLU QB 3.300 . 4.300 2.742 2.473 3.016 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL HB 1 64 PRO QD 5.000 . 6.000 5.337 5.282 5.383 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL QG 1 64 PRO QG 3.300 . 6.700 1.930 1.745 2.373 0.055 4 0 "[ . 1 . 2]" 1
10 1 5 VAL QG 1 65 LEU QD 2.700 . 7.500 3.371 2.530 3.817 . 0 0 "[ . 1 . 2]" 1
11 1 6 ALA HA 1 9 PHE QB 5.000 . 6.000 2.446 2.247 2.604 . 0 0 "[ . 1 . 2]" 1
12 1 7 ARG HA 1 10 ARG QB 3.300 . 4.300 3.253 2.865 3.544 . 0 0 "[ . 1 . 2]" 1
13 1 7 ARG QB 1 7 ARG QD 3.300 . 5.300 2.133 1.946 2.360 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLU HA 1 11 HIS QB 3.300 . 4.300 2.577 2.323 3.591 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLU HA 1 8 GLU QG 3.300 . 4.300 2.244 2.005 2.543 . 0 0 "[ . 1 . 2]" 1
16 1 9 PHE HA 1 12 LYS QD 5.000 . 6.000 3.387 1.994 5.254 . 0 0 "[ . 1 . 2]" 1
17 1 9 PHE HA 1 12 LYS QG 5.900 . 6.900 3.119 1.935 4.642 . 0 0 "[ . 1 . 2]" 1
18 1 10 ARG HA 1 10 ARG QD 3.300 . 4.300 3.431 1.995 3.912 . 0 0 "[ . 1 . 2]" 1
19 1 10 ARG HA 1 13 VAL HB 3.300 . 3.300 2.993 2.590 3.311 0.011 4 0 "[ . 1 . 2]" 1
20 1 10 ARG HA 1 13 VAL QG 5.000 . 7.400 2.956 2.213 3.495 . 0 0 "[ . 1 . 2]" 1
21 1 11 HIS HA 1 14 ASP QB 5.000 . 6.000 3.097 2.643 4.314 . 0 0 "[ . 1 . 2]" 1
22 1 12 LYS HA 1 12 LYS QG 3.300 . 4.300 2.759 2.019 3.436 . 0 0 "[ . 1 . 2]" 1
23 1 12 LYS HA 1 15 PHE QB 3.300 . 4.300 2.570 2.168 3.006 . 0 0 "[ . 1 . 2]" 1
24 1 12 LYS QE 1 12 LYS QG 2.700 . 4.700 2.214 2.021 2.623 . 0 0 "[ . 1 . 2]" 1
25 1 12 LYS QG 1 16 LEU QD 5.000 . 8.400 2.892 2.068 3.761 . 0 0 "[ . 1 . 2]" 1
26 1 13 VAL HA 1 13 VAL QG 2.700 . 4.400 2.117 1.998 2.158 . 0 0 "[ . 1 . 2]" 1
27 1 13 VAL HA 1 16 LEU QB 5.000 . 6.000 3.504 2.496 4.642 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL HA 1 17 ILE MD 5.000 . 6.500 3.516 2.772 4.095 . 0 0 "[ . 1 . 2]" 1
29 1 13 VAL HA 1 58 LEU QD 3.300 . 5.700 2.257 1.857 3.002 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL QG 1 14 ASP HA 3.300 . 5.700 3.415 3.070 3.652 . 0 0 "[ . 1 . 2]" 1
31 1 13 VAL QG 1 17 ILE HB 5.000 . 7.400 2.657 2.230 3.057 . 0 0 "[ . 1 . 2]" 1
32 1 13 VAL QG 1 17 ILE MD 2.700 . 6.600 2.094 1.672 3.417 0.128 20 0 "[ . 1 . 2]" 1
33 1 13 VAL QG 1 17 ILE MG 2.700 . 6.600 3.428 3.164 3.541 . 0 0 "[ . 1 . 2]" 1
34 1 13 VAL QG 1 23 LYS QD 3.300 . 6.700 2.619 1.963 3.543 . 0 0 "[ . 1 . 2]" 1
35 1 13 VAL QG 1 23 LYS QE 5.000 . 8.400 3.236 2.391 3.917 . 0 0 "[ . 1 . 2]" 1
36 1 13 VAL QG 1 23 LYS QG 5.000 . 8.400 2.062 1.756 3.802 0.044 3 0 "[ . 1 . 2]" 1
37 1 13 VAL QG 1 26 LEU QD 2.700 . 7.500 2.074 1.714 3.002 0.086 16 0 "[ . 1 . 2]" 1
38 1 13 VAL QG 1 58 LEU HA 5.000 . 7.400 4.334 3.701 5.093 . 0 0 "[ . 1 . 2]" 1
39 1 13 VAL QG 1 58 LEU QD 2.700 . 7.500 1.910 1.622 2.419 0.178 7 0 "[ . 1 . 2]" 1
40 1 13 VAL QG 1 61 ALA MB 5.000 . 8.900 3.461 3.116 4.112 . 0 0 "[ . 1 . 2]" 1
41 1 14 ASP HA 1 23 LYS QE 2.700 . 3.700 2.629 1.997 3.374 . 0 0 "[ . 1 . 2]" 1
42 1 15 PHE QB 1 16 LEU QD 5.000 . 8.400 3.355 2.634 3.936 . 0 0 "[ . 1 . 2]" 1
43 1 15 PHE QB 1 16 LEU HG 5.000 . 6.000 3.351 2.737 4.614 . 0 0 "[ . 1 . 2]" 1
44 1 16 LEU HA 1 16 LEU QD 2.700 . 4.400 2.888 2.174 3.425 . 0 0 "[ . 1 . 2]" 1
45 1 16 LEU QD 1 54 SER QB 5.000 . 8.400 4.538 3.946 5.143 . 0 0 "[ . 1 . 2]" 1
46 1 16 LEU QD 1 55 ARG HA 5.000 . 7.400 2.954 1.910 4.271 . 0 0 "[ . 1 . 2]" 1
47 1 16 LEU QD 1 58 LEU QD 2.700 . 7.500 1.951 1.579 2.469 0.221 3 0 "[ . 1 . 2]" 1
48 1 16 LEU QD 1 58 LEU HG 3.300 . 5.700 2.821 1.878 3.988 . 0 0 "[ . 1 . 2]" 1
49 1 16 LEU QD 1 61 ALA MB 3.300 . 7.200 4.128 3.895 4.362 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU HG 1 58 LEU QD 5.000 . 7.400 3.883 2.890 4.610 . 0 0 "[ . 1 . 2]" 1
51 1 17 ILE HA 1 17 ILE MD 3.300 . 4.800 3.473 1.957 3.867 . 0 0 "[ . 1 . 2]" 1
52 1 17 ILE HA 1 17 ILE MG 2.700 . 4.200 2.293 2.182 2.358 . 0 0 "[ . 1 . 2]" 1
53 1 17 ILE HB 1 17 ILE MD 3.300 . 4.800 2.583 2.364 3.221 . 0 0 "[ . 1 . 2]" 1
54 1 17 ILE HB 1 23 LYS QE 5.900 . 6.900 3.642 3.091 4.195 . 0 0 "[ . 1 . 2]" 1
55 1 17 ILE MD 1 17 ILE MG 2.700 . 5.700 2.000 1.729 2.115 0.071 4 0 "[ . 1 . 2]" 1
56 1 17 ILE MD 1 22 GLU QB 5.000 . 7.500 2.696 2.305 3.462 . 0 0 "[ . 1 . 2]" 1
57 1 17 ILE MD 1 23 LYS HA 5.900 . 7.400 3.652 3.007 4.199 . 0 0 "[ . 1 . 2]" 1
58 1 17 ILE MD 1 26 LEU QD 2.700 . 6.600 2.312 1.800 2.753 . 1 0 "[ . 1 . 2]" 1
59 1 17 ILE MD 1 26 LEU HG 5.000 . 6.500 4.488 3.509 5.083 . 0 0 "[ . 1 . 2]" 1
60 1 17 ILE MD 1 49 VAL QG 2.700 . 6.600 3.635 3.419 3.970 . 0 0 "[ . 1 . 2]" 1
61 1 17 ILE MD 1 55 ARG HA 5.000 . 6.500 4.897 3.932 5.345 . 0 0 "[ . 1 . 2]" 1
62 1 17 ILE MD 1 55 ARG QD 5.900 . 8.400 3.676 3.114 4.672 . 0 0 "[ . 1 . 2]" 1
63 1 17 ILE MD 1 55 ARG QG 5.000 . 7.500 3.554 2.547 4.232 . 0 0 "[ . 1 . 2]" 1
64 1 17 ILE MD 1 58 LEU QD 2.700 . 6.600 1.979 1.807 2.494 . 0 0 "[ . 1 . 2]" 1
65 1 17 ILE MG 1 18 GLU HA 5.000 . 6.500 4.387 4.063 4.683 . 0 0 "[ . 1 . 2]" 1
66 1 17 ILE MG 1 19 ASN QB 5.000 . 7.500 2.048 1.860 2.392 . 0 0 "[ . 1 . 2]" 1
67 1 17 ILE MG 1 22 GLU QB 3.300 . 5.800 1.903 1.721 2.123 0.079 20 0 "[ . 1 . 2]" 1
68 1 17 ILE MG 1 22 GLU QG 5.000 . 7.500 2.765 1.948 3.498 . 0 0 "[ . 1 . 2]" 1
69 1 17 ILE MG 1 23 LYS QE 3.300 . 5.800 3.613 3.010 4.010 . 0 0 "[ . 1 . 2]" 1
70 1 17 ILE MG 1 23 LYS QG 3.300 . 5.800 3.079 1.940 4.017 . 0 0 "[ . 1 . 2]" 1
71 1 17 ILE MG 1 26 LEU QD 5.000 . 8.900 3.702 2.887 4.231 . 0 0 "[ . 1 . 2]" 1
72 1 17 ILE MG 1 49 VAL QG 3.300 . 7.200 4.229 4.143 4.359 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLU HA 1 18 GLU QG 2.700 . 3.700 2.206 2.076 2.331 . 0 0 "[ . 1 . 2]" 1
74 1 19 ASN QB 1 22 GLU QB 5.000 . 7.000 2.196 1.922 2.599 . 0 0 "[ . 1 . 2]" 1
75 1 19 ASN QB 1 22 GLU QG 5.000 . 7.000 2.636 1.723 3.808 0.077 9 0 "[ . 1 . 2]" 1
76 1 20 ASP HA 1 23 LYS QB 3.300 . 4.300 2.715 2.330 3.851 . 0 0 "[ . 1 . 2]" 1
77 1 20 ASP HA 1 23 LYS QE 2.700 . 3.700 2.789 1.974 3.346 . 0 0 "[ . 1 . 2]" 1
78 1 21 ALA HA 1 24 ASP QB 3.300 . 4.300 2.756 2.490 2.976 . 0 0 "[ . 1 . 2]" 1
79 1 21 ALA MB 1 24 ASP QB 5.000 . 7.500 4.048 3.882 4.163 . 0 0 "[ . 1 . 2]" 1
80 1 22 GLU HA 1 25 TYR QB 3.300 . 4.300 2.663 2.499 2.803 . 0 0 "[ . 1 . 2]" 1
81 1 22 GLU HA 1 49 VAL QG 5.000 . 7.400 3.014 2.320 3.838 . 0 0 "[ . 1 . 2]" 1
82 1 22 GLU QB 1 49 VAL QG 3.300 . 6.700 3.110 2.392 3.561 . 0 0 "[ . 1 . 2]" 1
83 1 22 GLU QG 1 49 VAL QG 5.000 . 8.400 3.163 2.006 4.067 . 0 0 "[ . 1 . 2]" 1
84 1 23 LYS HA 1 26 LEU QB 3.300 . 4.300 3.705 3.516 3.926 . 0 0 "[ . 1 . 2]" 1
85 1 23 LYS HA 1 26 LEU QD 5.000 . 7.400 2.037 1.852 2.800 . 0 0 "[ . 1 . 2]" 1
86 1 24 ASP HA 1 27 TYR QB 5.000 . 6.000 2.476 2.285 2.671 . 0 0 "[ . 1 . 2]" 1
87 1 25 TYR HA 1 28 ASP QB 3.300 . 4.300 2.823 2.464 3.112 . 0 0 "[ . 1 . 2]" 1
88 1 25 TYR QB 1 49 VAL QG 5.000 . 8.400 2.349 1.790 3.554 0.010 20 0 "[ . 1 . 2]" 1
89 1 26 LEU HA 1 26 LEU QD 2.700 . 4.400 3.101 2.093 3.411 . 0 0 "[ . 1 . 2]" 1
90 1 26 LEU HA 1 29 VAL HB 5.000 . 5.000 3.085 2.885 3.356 . 0 0 "[ . 1 . 2]" 1
91 1 26 LEU HA 1 29 VAL QG 3.300 . 5.700 2.416 1.978 3.040 . 0 0 "[ . 1 . 2]" 1
92 1 26 LEU HA 1 49 VAL QG 5.000 . 7.400 3.483 2.782 4.047 . 0 0 "[ . 1 . 2]" 1
93 1 26 LEU QB 1 49 VAL QG 3.300 . 6.700 2.996 2.236 4.016 . 0 0 "[ . 1 . 2]" 1
94 1 26 LEU QD 1 49 VAL QG 2.700 . 7.500 3.144 1.663 3.877 0.137 14 0 "[ . 1 . 2]" 1
95 1 26 LEU QD 1 50 ILE MD 3.300 . 7.200 3.742 2.575 4.265 . 0 0 "[ . 1 . 2]" 1
96 1 26 LEU QD 1 62 ILE MD 2.700 . 6.600 3.420 3.043 3.905 . 0 0 "[ . 1 . 2]" 1
97 1 27 TYR HA 1 30 LEU QB 5.900 . 6.900 2.812 2.503 3.178 . 0 0 "[ . 1 . 2]" 1
98 1 27 TYR HA 1 30 LEU QD 5.000 . 7.400 2.810 2.312 3.127 . 0 0 "[ . 1 . 2]" 1
99 1 27 TYR HA 1 30 LEU HG 5.900 . 5.900 4.615 4.110 5.026 . 0 0 "[ . 1 . 2]" 1
100 1 29 VAL HA 1 29 VAL QG 2.700 . 4.400 2.127 2.043 2.172 . 0 0 "[ . 1 . 2]" 1
101 1 29 VAL HA 1 32 MET QB 5.000 . 6.000 3.030 2.766 4.173 . 0 0 "[ . 1 . 2]" 1
102 1 29 VAL HA 1 32 MET QG 5.000 . 6.000 4.255 2.156 5.234 . 0 0 "[ . 1 . 2]" 1
103 1 29 VAL HA 1 42 LEU QD 5.000 . 7.400 4.168 3.874 4.639 . 0 0 "[ . 1 . 2]" 1
104 1 29 VAL HB 1 42 LEU QD 5.000 . 7.400 3.168 2.769 3.604 . 0 0 "[ . 1 . 2]" 1
105 1 29 VAL QG 1 42 LEU HA 5.000 . 7.400 2.307 1.941 2.836 . 0 0 "[ . 1 . 2]" 1
106 1 29 VAL QG 1 42 LEU QD 2.700 . 7.500 1.887 1.713 2.165 0.087 14 0 "[ . 1 . 2]" 1
107 1 29 VAL QG 1 45 ASP HA 5.000 . 7.400 3.979 3.594 4.773 . 0 0 "[ . 1 . 2]" 1
108 1 29 VAL QG 1 45 ASP QB 3.300 . 6.700 1.866 1.650 2.561 0.150 10 0 "[ . 1 . 2]" 1
109 1 29 VAL QG 1 46 LEU HA 5.000 . 7.400 3.638 2.677 4.384 . 0 0 "[ . 1 . 2]" 1
110 1 29 VAL QG 1 46 LEU QD 2.700 . 7.500 2.816 1.968 3.556 . 0 0 "[ . 1 . 2]" 1
111 1 29 VAL QG 1 46 LEU HG 5.000 . 7.400 2.734 2.061 3.955 . 0 0 "[ . 1 . 2]" 1
112 1 30 LEU HA 1 30 LEU QD 2.700 . 4.400 2.338 2.073 2.543 . 0 0 "[ . 1 . 2]" 1
113 1 30 LEU HA 1 30 LEU HG 3.300 . 3.300 2.594 2.448 2.841 . 0 0 "[ . 1 . 2]" 1
114 1 30 LEU HA 1 33 TYR QB 5.000 . 6.000 2.137 1.959 2.335 . 0 0 "[ . 1 . 2]" 1
115 1 30 LEU QD 1 42 LEU QD 3.300 . 8.100 2.395 1.921 2.938 . 0 0 "[ . 1 . 2]" 1
116 1 30 LEU QD 1 62 ILE HB 5.900 . 8.300 4.869 4.126 5.207 . 0 0 "[ . 1 . 2]" 1
117 1 30 LEU QD 1 62 ILE MG 2.700 . 6.600 2.541 1.845 2.854 . 0 0 "[ . 1 . 2]" 1
118 1 30 LEU QD 1 65 LEU QD 5.000 . 9.800 2.082 1.685 3.025 0.115 9 0 "[ . 1 . 2]" 1
119 1 30 LEU HG 1 62 ILE MG 3.300 . 4.800 3.920 3.853 3.989 . 0 0 "[ . 1 . 2]" 1
120 1 32 MET HA 1 32 MET ME 3.300 . 4.800 3.380 2.306 3.989 . 0 0 "[ . 1 . 2]" 1
121 1 32 MET HA 1 32 MET QG 3.300 . 4.300 2.305 2.068 3.340 . 0 0 "[ . 1 . 2]" 1
122 1 32 MET HA 1 35 GLN QB 5.000 . 6.000 3.047 2.546 4.516 . 0 0 "[ . 1 . 2]" 1
123 1 32 MET HA 1 36 THR MG 5.000 . 6.500 3.297 2.959 3.914 . 0 0 "[ . 1 . 2]" 1
124 1 32 MET QB 1 32 MET ME 2.700 . 5.200 2.623 1.917 3.689 . 0 0 "[ . 1 . 2]" 1
125 1 32 MET ME 1 32 MET QG 2.700 . 5.200 2.251 1.968 2.421 . 0 0 "[ . 1 . 2]" 1
126 1 32 MET ME 1 36 THR MG 2.700 . 5.700 2.530 1.756 3.879 0.044 6 0 "[ . 1 . 2]" 1
127 1 32 MET QG 1 36 THR MG 3.300 . 5.800 3.635 2.967 4.152 . 0 0 "[ . 1 . 2]" 1
128 1 33 TYR HA 1 42 LEU QD 5.900 . 8.300 3.839 3.578 4.132 . 0 0 "[ . 1 . 2]" 1
129 1 33 TYR QB 1 42 LEU QD 3.300 . 6.700 1.903 1.782 2.084 0.018 2 0 "[ . 1 . 2]" 1
130 1 34 HIS HA 1 37 MET ME 2.700 . 4.200 2.666 1.974 3.269 . 0 0 "[ . 1 . 2]" 1
131 1 35 GLN HA 1 35 GLN QG 3.300 . 4.300 2.411 2.053 3.327 . 0 0 "[ . 1 . 2]" 1
132 1 35 GLN QB 1 36 THR MG 3.300 . 5.800 3.083 2.800 3.743 . 0 0 "[ . 1 . 2]" 1
133 1 35 GLN QG 1 36 THR MG 5.000 . 7.500 4.505 2.120 4.954 . 0 0 "[ . 1 . 2]" 1
134 1 36 THR HA 1 36 THR HB 2.700 . 2.700 2.431 2.392 2.480 . 0 0 "[ . 1 . 2]" 1
135 1 36 THR HA 1 36 THR MG 2.700 . 4.200 2.488 2.323 3.212 . 0 0 "[ . 1 . 2]" 1
136 1 37 MET HA 1 37 MET ME 5.000 . 6.500 3.188 2.043 4.066 . 0 0 "[ . 1 . 2]" 1
137 1 37 MET HA 1 37 MET QG 3.300 . 4.300 2.297 1.999 2.648 . 0 0 "[ . 1 . 2]" 1
138 1 37 MET ME 1 37 MET QG 3.300 . 5.800 2.134 2.012 2.295 . 0 0 "[ . 1 . 2]" 1
139 1 38 ASP QB 1 41 VAL HB 5.000 . 6.000 2.467 2.046 2.928 . 0 0 "[ . 1 . 2]" 1
140 1 38 ASP QB 1 41 VAL QG 3.300 . 6.700 1.988 1.762 2.307 0.038 7 0 "[ . 1 . 2]" 1
141 1 39 VAL HA 1 39 VAL QG 2.700 . 4.400 2.090 2.040 2.158 . 0 0 "[ . 1 . 2]" 1
142 1 39 VAL HA 1 42 LEU QB 5.000 . 6.000 2.462 2.237 2.622 . 0 0 "[ . 1 . 2]" 1
143 1 39 VAL HA 1 42 LEU QD 3.300 . 5.700 3.053 2.724 3.296 . 0 0 "[ . 1 . 2]" 1
144 1 39 VAL QG 1 40 ALA HA 5.000 . 7.400 3.703 3.566 3.825 . 0 0 "[ . 1 . 2]" 1
145 1 39 VAL QG 1 40 ALA MB 5.000 . 8.900 4.116 4.002 4.199 . 0 0 "[ . 1 . 2]" 1
146 1 39 VAL QG 1 42 LEU QD 2.700 . 7.500 2.886 2.572 3.163 . 0 0 "[ . 1 . 2]" 1
147 1 39 VAL QG 1 43 VAL QG 3.300 . 8.100 2.297 1.886 3.475 . 0 0 "[ . 1 . 2]" 1
148 1 39 VAL QG 1 66 ILE MD 3.300 . 7.200 3.852 2.750 4.300 . 0 0 "[ . 1 . 2]" 1
149 1 39 VAL QG 1 66 ILE MG 3.300 . 7.200 4.088 3.558 4.364 . 0 0 "[ . 1 . 2]" 1
150 1 39 VAL QG 1 70 HIS HA 5.000 . 7.400 3.209 2.785 3.882 . 0 0 "[ . 1 . 2]" 1
151 1 39 VAL QG 1 70 HIS QB 3.300 . 6.700 3.100 2.411 3.587 . 0 0 "[ . 1 . 2]" 1
152 1 39 VAL QG 1 73 GLU QB 3.300 . 6.700 2.835 2.362 3.596 . 0 0 "[ . 1 . 2]" 1
153 1 39 VAL QG 1 73 GLU QG 2.700 . 6.100 3.195 2.286 3.864 . 0 0 "[ . 1 . 2]" 1
154 1 39 VAL QG 1 78 THR MG 5.000 . 8.900 4.496 3.940 4.813 . 0 0 "[ . 1 . 2]" 1
155 1 40 ALA HA 1 43 VAL HB 5.000 . 5.000 3.469 3.200 3.749 . 0 0 "[ . 1 . 2]" 1
156 1 40 ALA HA 1 43 VAL QG 5.000 . 7.400 2.970 2.657 3.509 . 0 0 "[ . 1 . 2]" 1
157 1 40 ALA HA 1 77 LEU QD 2.700 . 5.100 2.961 2.135 3.576 . 0 0 "[ . 1 . 2]" 1
158 1 40 ALA MB 1 41 VAL QG 2.700 . 6.600 2.841 2.694 3.006 . 0 0 "[ . 1 . 2]" 1
159 1 40 ALA MB 1 77 LEU QD 2.700 . 6.600 3.411 2.747 3.907 . 0 0 "[ . 1 . 2]" 1
160 1 41 VAL HA 1 41 VAL QG 2.700 . 4.400 2.119 2.035 2.177 . 0 0 "[ . 1 . 2]" 1
161 1 42 LEU HA 1 42 LEU QD 2.700 . 4.400 2.377 2.137 2.639 . 0 0 "[ . 1 . 2]" 1
162 1 42 LEU HA 1 45 ASP QB 5.000 . 6.000 3.339 2.875 3.641 . 0 0 "[ . 1 . 2]" 1
163 1 42 LEU HA 1 46 LEU QD 5.000 . 7.400 3.789 3.137 4.104 . 0 0 "[ . 1 . 2]" 1
164 1 42 LEU QD 1 46 LEU QD 3.300 . 8.100 2.041 1.816 2.544 . 0 0 "[ . 1 . 2]" 1
165 1 42 LEU QD 1 46 LEU HG 5.000 . 7.400 3.067 2.429 3.967 . 0 0 "[ . 1 . 2]" 1
166 1 42 LEU QD 1 62 ILE MG 3.300 . 7.200 2.875 2.373 3.138 . 0 0 "[ . 1 . 2]" 1
167 1 42 LEU QD 1 66 ILE MD 2.700 . 6.600 1.899 1.718 2.161 0.082 9 0 "[ . 1 . 2]" 1
168 1 42 LEU QD 1 66 ILE MG 5.000 . 8.900 4.093 3.650 4.636 . 0 0 "[ . 1 . 2]" 1
169 1 42 LEU HG 1 46 LEU QD 3.300 . 5.700 1.908 1.830 2.230 . 0 0 "[ . 1 . 2]" 1
170 1 42 LEU HG 1 46 LEU HG 5.000 . 5.000 3.138 2.054 4.575 . 0 0 "[ . 1 . 2]" 1
171 1 43 VAL HA 1 43 VAL QG 2.700 . 4.400 2.111 2.044 2.162 . 0 0 "[ . 1 . 2]" 1
172 1 43 VAL HA 1 46 LEU QB 5.000 . 6.000 2.540 2.219 2.804 . 0 0 "[ . 1 . 2]" 1
173 1 43 VAL HA 1 46 LEU QD 3.300 . 5.700 2.902 2.216 3.463 . 0 0 "[ . 1 . 2]" 1
174 1 43 VAL HA 1 46 LEU HG 5.900 . 5.900 4.570 4.034 5.681 . 0 0 "[ . 1 . 2]" 1
175 1 43 VAL HA 1 78 THR MG 5.900 . 7.400 4.016 3.577 4.589 . 0 0 "[ . 1 . 2]" 1
176 1 43 VAL HB 1 77 LEU QD 3.300 . 5.700 3.713 3.042 4.204 . 0 0 "[ . 1 . 2]" 1
177 1 43 VAL QG 1 47 LYS QE 3.300 . 6.700 2.914 1.864 3.833 . 0 0 "[ . 1 . 2]" 1
178 1 43 VAL QG 1 77 LEU HA 5.000 . 7.400 4.420 3.826 4.783 . 0 0 "[ . 1 . 2]" 1
179 1 43 VAL QG 1 77 LEU QB 3.300 . 6.700 2.357 1.846 2.678 . 0 0 "[ . 1 . 2]" 1
180 1 43 VAL QG 1 77 LEU QD 2.700 . 7.500 2.202 1.774 2.627 0.026 10 0 "[ . 1 . 2]" 1
181 1 43 VAL QG 1 78 THR HA 3.300 . 5.700 3.419 2.678 4.053 . 0 0 "[ . 1 . 2]" 1
182 1 43 VAL QG 1 78 THR MG 2.700 . 6.600 2.121 1.625 2.766 0.175 8 0 "[ . 1 . 2]" 1
183 1 44 GLY QA 1 47 LYS QB 5.900 . 7.900 2.884 2.615 3.444 . 0 0 "[ . 1 . 2]" 1
184 1 45 ASP HA 1 48 LEU QD 3.300 . 5.700 1.976 1.870 2.554 . 0 0 "[ . 1 . 2]" 1
185 1 45 ASP HA 1 48 LEU HG 5.000 . 5.000 3.468 2.364 4.387 . 0 0 "[ . 1 . 2]" 1
186 1 46 LEU HA 1 46 LEU QD 2.700 . 4.400 2.136 1.925 2.942 . 0 0 "[ . 1 . 2]" 1
187 1 46 LEU HA 1 49 VAL HB 5.000 . 5.000 4.063 3.816 4.456 . 0 0 "[ . 1 . 2]" 1
188 1 46 LEU HA 1 49 VAL QG 3.300 . 5.700 2.307 2.013 2.813 . 0 0 "[ . 1 . 2]" 1
189 1 46 LEU QB 1 50 ILE MD 5.000 . 7.500 2.685 2.108 4.966 . 0 0 "[ . 1 . 2]" 1
190 1 46 LEU QD 1 49 VAL QG 3.300 . 8.100 2.867 2.613 3.527 . 0 0 "[ . 1 . 2]" 1
191 1 46 LEU QD 1 50 ILE MD 3.300 . 7.200 2.084 1.672 3.818 0.128 4 0 "[ . 1 . 2]" 1
192 1 46 LEU QD 1 50 ILE MG 5.000 . 8.900 4.267 3.728 4.976 . 0 0 "[ . 1 . 2]" 1
193 1 46 LEU QD 1 62 ILE MD 2.700 . 6.600 2.276 1.675 3.065 0.125 9 0 "[ . 1 . 2]" 1
194 1 46 LEU QD 1 62 ILE MG 3.300 . 7.200 2.192 1.732 2.599 0.068 15 0 "[ . 1 . 2]" 1
195 1 47 LYS HA 1 50 ILE HB 5.000 . 5.000 2.956 2.350 3.366 . 0 0 "[ . 1 . 2]" 1
196 1 47 LYS QB 1 47 LYS QD 2.700 . 4.700 2.100 1.957 2.297 . 0 0 "[ . 1 . 2]" 1
197 1 48 LEU HA 1 48 LEU QD 2.700 . 4.400 2.460 1.933 2.883 . 0 0 "[ . 1 . 2]" 1
198 1 48 LEU HA 1 48 LEU HG 3.300 . 3.300 2.855 2.516 3.315 0.015 9 0 "[ . 1 . 2]" 1
199 1 48 LEU QB 1 48 LEU QD 2.700 . 6.100 1.822 1.754 1.937 0.046 4 0 "[ . 1 . 2]" 1
200 1 49 VAL HA 1 49 VAL HB 2.700 . 2.700 2.614 2.591 2.662 . 0 0 "[ . 1 . 2]" 1
201 1 49 VAL HA 1 49 VAL QG 2.700 . 4.400 2.108 1.990 2.211 . 0 0 "[ . 1 . 2]" 1
202 1 49 VAL QG 1 50 ILE MD 5.000 . 8.900 2.974 2.561 3.269 . 0 0 "[ . 1 . 2]" 1
203 1 50 ILE HA 1 50 ILE MG 2.700 . 4.200 2.304 2.185 2.520 . 0 0 "[ . 1 . 2]" 1
204 1 50 ILE HA 1 55 ARG QB 5.000 . 6.000 2.671 2.201 3.459 . 0 0 "[ . 1 . 2]" 1
205 1 50 ILE HA 1 55 ARG QD 5.000 . 6.000 2.093 1.682 2.552 0.118 19 0 "[ . 1 . 2]" 1
206 1 50 ILE HB 1 50 ILE MD 3.300 . 4.800 2.498 2.154 3.229 . 0 0 "[ . 1 . 2]" 1
207 1 50 ILE MD 1 50 ILE MG 2.700 . 5.700 1.941 1.707 2.405 0.093 5 0 "[ . 1 . 2]" 1
208 1 50 ILE MD 1 58 LEU QB 3.300 . 5.800 2.606 1.967 3.336 . 0 0 "[ . 1 . 2]" 1
209 1 50 ILE MD 1 58 LEU QD 3.300 . 7.200 2.440 1.862 3.149 . 0 0 "[ . 1 . 2]" 1
210 1 50 ILE MD 1 59 PHE HA 5.000 . 6.500 3.926 3.118 5.268 . 0 0 "[ . 1 . 2]" 1
211 1 50 ILE MD 1 62 ILE MD 2.700 . 5.700 2.866 1.931 3.524 . 0 0 "[ . 1 . 2]" 1
212 1 50 ILE MG 1 55 ARG HA 5.000 . 6.500 3.779 3.460 4.253 . 0 0 "[ . 1 . 2]" 1
213 1 50 ILE MG 1 55 ARG QB 5.000 . 7.500 1.831 1.683 2.489 0.117 2 0 "[ . 1 . 2]" 1
214 1 50 ILE MG 1 56 LEU HA 2.700 . 4.200 2.736 1.897 3.434 . 0 0 "[ . 1 . 2]" 1
215 1 50 ILE MG 1 56 LEU QD 2.700 . 6.600 3.238 2.619 3.689 . 0 0 "[ . 1 . 2]" 1
216 1 50 ILE MG 1 58 LEU QD 3.300 . 7.200 3.394 2.457 4.311 . 0 0 "[ . 1 . 2]" 1
217 1 52 GLU HA 1 53 PRO QD 2.700 . 3.700 1.947 1.907 1.964 . 0 0 "[ . 1 . 2]" 1
218 1 52 GLU QG 1 53 PRO QD 5.000 . 7.000 3.600 2.788 4.275 . 0 0 "[ . 1 . 2]" 1
219 1 52 GLU QG 1 55 ARG QD 5.000 . 7.000 3.044 1.979 3.984 . 0 0 "[ . 1 . 2]" 1
220 1 53 PRO HA 1 53 PRO QG 2.700 . 3.700 2.854 2.834 2.913 . 0 0 "[ . 1 . 2]" 1
221 1 53 PRO HA 1 56 LEU QB 5.000 . 6.000 3.149 2.666 3.668 . 0 0 "[ . 1 . 2]" 1
222 1 53 PRO HA 1 56 LEU QD 2.700 . 5.100 1.960 1.914 2.092 . 0 0 "[ . 1 . 2]" 1
223 1 53 PRO HA 1 56 LEU HG 2.700 . 2.700 2.143 1.956 2.704 0.004 17 0 "[ . 1 . 2]" 1
224 1 53 PRO QB 1 53 PRO QD 2.700 . 4.700 2.813 2.759 2.876 . 0 0 "[ . 1 . 2]" 1
225 1 53 PRO QB 1 56 LEU QD 3.300 . 6.700 2.584 2.317 3.159 . 0 0 "[ . 1 . 2]" 1
226 1 56 LEU HA 1 56 LEU QD 2.700 . 4.400 2.033 1.947 2.394 . 0 0 "[ . 1 . 2]" 1
227 1 58 LEU HA 1 58 LEU QD 2.700 . 4.400 2.551 1.886 3.027 . 0 0 "[ . 1 . 2]" 1
228 1 58 LEU HA 1 61 ALA MB 5.000 . 6.500 3.506 2.935 3.781 . 0 0 "[ . 1 . 2]" 1
229 1 58 LEU QB 1 58 LEU QD 2.700 . 6.100 1.865 1.729 2.052 0.071 7 0 "[ . 1 . 2]" 1
230 1 58 LEU QB 1 61 ALA MB 5.900 . 8.400 4.747 4.165 5.166 . 0 0 "[ . 1 . 2]" 1
231 1 58 LEU QD 1 61 ALA MB 2.700 . 6.600 3.144 2.192 3.956 . 0 0 "[ . 1 . 2]" 1
232 1 59 PHE HA 1 62 ILE HB 5.000 . 5.000 2.545 2.263 2.705 . 0 0 "[ . 1 . 2]" 1
233 1 59 PHE HA 1 62 ILE MD 3.300 . 4.800 2.821 1.844 3.805 . 0 0 "[ . 1 . 2]" 1
234 1 59 PHE HA 1 62 ILE MG 5.900 . 7.400 3.750 3.596 3.954 . 0 0 "[ . 1 . 2]" 1
235 1 61 ALA HA 1 64 PRO QB 3.300 . 4.300 3.796 3.737 3.857 . 0 0 "[ . 1 . 2]" 1
236 1 61 ALA HA 1 64 PRO QG 5.900 . 6.900 2.254 2.158 2.446 . 0 0 "[ . 1 . 2]" 1
237 1 62 ILE HA 1 62 ILE MD 3.300 . 4.800 2.944 1.963 3.873 . 0 0 "[ . 1 . 2]" 1
238 1 62 ILE HA 1 62 ILE MG 3.300 . 4.800 2.335 2.264 2.438 . 0 0 "[ . 1 . 2]" 1
239 1 62 ILE HA 1 65 LEU QD 5.000 . 7.400 2.250 1.781 3.233 0.019 19 0 "[ . 1 . 2]" 1
240 1 62 ILE HB 1 62 ILE MD 3.300 . 4.800 2.795 2.125 3.228 . 0 0 "[ . 1 . 2]" 1
241 1 62 ILE MD 1 62 ILE MG 2.700 . 5.700 1.978 1.747 2.411 0.053 9 0 "[ . 1 . 2]" 1
242 1 62 ILE MD 1 65 LEU QD 3.300 . 7.200 3.613 2.227 4.352 . 0 0 "[ . 1 . 2]" 1
243 1 62 ILE MG 1 65 LEU QD 5.000 . 8.900 2.915 2.091 4.017 . 0 0 "[ . 1 . 2]" 1
244 1 62 ILE MG 1 66 ILE MD 2.700 . 5.700 2.165 1.745 2.763 0.055 5 0 "[ . 1 . 2]" 1
245 1 62 ILE MG 1 66 ILE QG 5.000 . 7.500 3.712 2.611 4.607 . 0 0 "[ . 1 . 2]" 1
246 1 62 ILE MG 1 66 ILE MG 5.000 . 8.000 4.385 4.116 4.687 . 0 0 "[ . 1 . 2]" 1
247 1 63 ARG HA 1 64 PRO QD 3.300 . 4.300 3.518 3.505 3.531 . 0 0 "[ . 1 . 2]" 1
248 1 63 ARG HA 1 66 ILE MD 3.300 . 4.800 3.133 2.506 3.817 . 0 0 "[ . 1 . 2]" 1
249 1 63 ARG HA 1 66 ILE MG 5.900 . 7.400 2.880 2.551 3.255 . 0 0 "[ . 1 . 2]" 1
250 1 64 PRO HA 1 64 PRO QG 3.300 . 4.300 2.805 2.762 2.827 . 0 0 "[ . 1 . 2]" 1
251 1 64 PRO QB 1 65 LEU QD 5.000 . 8.400 3.363 2.666 4.056 . 0 0 "[ . 1 . 2]" 1
252 1 65 LEU HA 1 65 LEU QD 2.700 . 4.400 2.962 1.963 3.461 . 0 0 "[ . 1 . 2]" 1
253 1 66 ILE HA 1 66 ILE MD 3.300 . 4.800 3.365 2.906 3.740 . 0 0 "[ . 1 . 2]" 1
254 1 66 ILE HA 1 66 ILE MG 3.300 . 4.800 2.908 2.674 3.090 . 0 0 "[ . 1 . 2]" 1
255 1 66 ILE HA 1 67 PRO QD 3.300 . 4.300 1.950 1.850 1.999 . 0 0 "[ . 1 . 2]" 1
256 1 66 ILE HB 1 66 ILE MD 3.300 . 4.800 2.140 1.985 2.321 . 0 0 "[ . 1 . 2]" 1
257 1 66 ILE MD 1 66 ILE MG 2.700 . 5.700 2.590 2.013 2.974 . 0 0 "[ . 1 . 2]" 1
258 1 66 ILE MD 1 71 GLN HA 5.000 . 6.500 4.494 3.298 5.326 . 0 0 "[ . 1 . 2]" 1
259 1 66 ILE MD 1 71 GLN QG 5.000 . 7.500 4.460 3.723 5.497 . 0 0 "[ . 1 . 2]" 1
260 1 66 ILE MG 1 67 PRO QD 5.000 . 7.500 2.360 1.918 2.822 . 0 0 "[ . 1 . 2]" 1
261 1 66 ILE MG 1 70 HIS HA 5.900 . 7.400 3.893 3.696 4.186 . 0 0 "[ . 1 . 2]" 1
262 1 66 ILE MG 1 70 HIS QB 5.000 . 7.500 1.867 1.705 2.175 0.095 6 0 "[ . 1 . 2]" 1
263 1 66 ILE MG 1 71 GLN HA 3.300 . 4.800 2.225 1.891 2.600 . 0 0 "[ . 1 . 2]" 1
264 1 66 ILE MG 1 71 GLN QG 5.000 . 7.500 1.892 1.770 3.094 0.030 8 0 "[ . 1 . 2]" 1
265 1 66 ILE MG 1 74 TYR QB 5.000 . 7.500 2.810 2.601 3.019 . 0 0 "[ . 1 . 2]" 1
266 1 67 PRO HA 1 67 PRO QG 3.300 . 4.300 3.039 2.819 3.464 . 0 0 "[ . 1 . 2]" 1
267 1 67 PRO HA 1 68 LEU QD 5.900 . 8.300 3.420 3.322 3.472 . 0 0 "[ . 1 . 2]" 1
268 1 67 PRO HA 1 68 LEU HG 5.000 . 5.000 3.753 3.706 3.783 . 0 0 "[ . 1 . 2]" 1
269 1 68 LEU HA 1 68 LEU QD 2.700 . 4.400 3.321 3.301 3.341 . 0 0 "[ . 1 . 2]" 1
270 1 68 LEU HA 1 68 LEU HG 3.300 . 3.300 3.230 3.054 3.314 0.014 12 0 "[ . 1 . 2]" 1
271 1 68 LEU HA 1 71 GLN QB 5.000 . 6.000 2.835 2.184 3.885 . 0 0 "[ . 1 . 2]" 1
272 1 68 LEU HA 1 71 GLN QG 3.300 . 4.300 3.279 2.123 3.698 . 0 0 "[ . 1 . 2]" 1
273 1 68 LEU QB 1 68 LEU QD 2.700 . 6.100 1.888 1.781 1.938 0.019 17 0 "[ . 1 . 2]" 1
274 1 69 LYS QB 1 69 LYS QD 3.300 . 5.300 2.117 1.918 2.384 . 0 0 "[ . 1 . 2]" 1
275 1 70 HIS HA 1 73 GLU QB 5.000 . 6.000 2.856 2.564 3.098 . 0 0 "[ . 1 . 2]" 1
276 1 71 GLN HA 1 71 GLN QG 3.300 . 4.300 2.276 2.024 3.344 . 0 0 "[ . 1 . 2]" 1
277 1 71 GLN HA 1 74 TYR QB 3.300 . 4.300 2.520 2.303 2.721 . 0 0 "[ . 1 . 2]" 1
278 1 72 VAL HA 1 72 VAL QG 2.700 . 4.400 2.112 2.053 2.157 . 0 0 "[ . 1 . 2]" 1
279 1 72 VAL HA 1 75 ASP QB 3.300 . 4.300 3.119 2.953 3.462 . 0 0 "[ . 1 . 2]" 1
280 1 72 VAL QG 1 75 ASP QB 5.000 . 8.400 3.699 3.469 3.943 . 0 0 "[ . 1 . 2]" 1
281 1 72 VAL QG 1 76 GLN QG 3.300 . 6.700 2.962 2.543 3.636 . 0 0 "[ . 1 . 2]" 1
282 1 73 GLU HA 1 73 GLU QG 2.700 . 3.700 2.333 2.047 3.015 . 0 0 "[ . 1 . 2]" 1
283 1 73 GLU HA 1 76 GLN QB 3.300 . 4.300 2.061 1.968 2.234 . 0 0 "[ . 1 . 2]" 1
284 1 73 GLU HA 1 76 GLN QG 3.300 . 4.300 2.777 1.998 3.475 . 0 0 "[ . 1 . 2]" 1
285 1 73 GLU QG 1 77 LEU QD 5.000 . 8.400 2.829 2.069 4.521 . 0 0 "[ . 1 . 2]" 1
286 1 76 GLN HA 1 76 GLN QG 3.300 . 4.300 2.253 2.019 2.838 . 0 0 "[ . 1 . 2]" 1
287 1 76 GLN QB 1 77 LEU QD 5.000 . 8.400 3.540 3.143 3.850 . 0 0 "[ . 1 . 2]" 1
288 1 76 GLN QB 1 77 LEU HG 5.000 . 6.000 3.175 2.930 3.477 . 0 0 "[ . 1 . 2]" 1
289 1 77 LEU HA 1 77 LEU QD 2.700 . 4.400 2.326 1.966 2.630 . 0 0 "[ . 1 . 2]" 1
290 1 77 LEU HA 1 77 LEU HG 3.300 . 3.300 2.869 2.657 3.068 . 0 0 "[ . 1 . 2]" 1
291 1 77 LEU QB 1 77 LEU QD 2.700 . 6.100 1.857 1.747 1.940 0.053 14 0 "[ . 1 . 2]" 1
292 1 78 THR HA 1 78 THR HB 2.700 . 2.700 2.473 2.374 2.575 . 0 0 "[ . 1 . 2]" 1
293 1 78 THR HA 1 78 THR MG 2.700 . 4.200 2.404 2.202 2.540 . 0 0 "[ . 1 . 2]" 1
294 1 78 THR HA 1 79 PRO QD 2.700 . 3.700 2.006 1.914 2.183 . 0 0 "[ . 1 . 2]" 1
295 1 78 THR HA 1 79 PRO QG 5.000 . 6.000 3.909 3.824 4.082 . 0 0 "[ . 1 . 2]" 1
296 1 78 THR HB 1 79 PRO QD 3.300 . 4.300 2.954 1.941 3.742 . 0 0 "[ . 1 . 2]" 1
297 1 78 THR MG 1 79 PRO QD 3.300 . 5.800 3.427 2.756 3.855 . 0 0 "[ . 1 . 2]" 1
298 1 79 PRO HA 1 79 PRO QG 3.300 . 4.300 3.318 2.856 3.507 . 0 0 "[ . 1 . 2]" 1
299 1 4 LYS HA 1 5 VAL H 5.000 . 5.000 3.560 3.498 3.579 . 0 0 "[ . 1 . 2]" 1
300 1 4 LYS HA 1 7 ARG H 5.000 . 5.000 3.929 3.522 4.132 . 0 0 "[ . 1 . 2]" 1
301 1 4 LYS H 1 4 LYS QB 2.900 . 3.500 2.773 2.130 3.202 . 0 0 "[ . 1 . 2]" 1
302 1 4 LYS QB 1 5 VAL H 3.500 . 4.500 2.669 2.167 3.489 . 0 0 "[ . 1 . 2]" 1
303 1 4 LYS H 1 5 VAL H 5.000 . 5.000 2.453 1.961 3.615 . 0 0 "[ . 1 . 2]" 1
304 1 5 VAL HA 1 6 ALA H 5.000 . 5.000 3.473 3.467 3.489 . 0 0 "[ . 1 . 2]" 1
305 1 5 VAL HA 1 8 GLU H 5.000 . 5.000 3.412 3.242 3.537 . 0 0 "[ . 1 . 2]" 1
306 1 5 VAL HA 1 9 PHE H 5.000 . 5.000 3.900 3.706 4.146 . 0 0 "[ . 1 . 2]" 1
307 1 5 VAL H 1 5 VAL HB 2.900 . 2.900 2.706 2.621 2.791 . 0 0 "[ . 1 . 2]" 1
308 1 5 VAL HB 1 6 ALA H 3.500 . 3.500 2.975 2.889 3.016 . 0 0 "[ . 1 . 2]" 1
309 1 5 VAL H 1 5 VAL QG 2.900 . 4.600 2.042 1.935 2.130 . 0 0 "[ . 1 . 2]" 1
310 1 5 VAL QG 1 6 ALA H 3.500 . 5.900 3.436 3.393 3.452 . 0 0 "[ . 1 . 2]" 1
311 1 5 VAL H 1 6 ALA H 3.500 . 3.500 2.563 2.461 2.755 . 0 0 "[ . 1 . 2]" 1
312 1 6 ALA HA 1 7 ARG H 3.500 . 3.500 3.536 3.524 3.543 0.043 9 0 "[ . 1 . 2]" 1
313 1 6 ALA HA 1 9 PHE H 5.000 . 5.000 3.538 3.440 3.683 . 0 0 "[ . 1 . 2]" 1
314 1 6 ALA H 1 6 ALA MB 2.900 . 4.000 2.130 2.062 2.232 . 0 0 "[ . 1 . 2]" 1
315 1 6 ALA MB 1 7 ARG H 2.900 . 4.400 2.527 2.397 2.639 . 0 0 "[ . 1 . 2]" 1
316 1 6 ALA H 1 7 ARG H 2.900 . 2.900 2.779 2.704 2.851 . 0 0 "[ . 1 . 2]" 1
317 1 7 ARG HA 1 10 ARG H 5.000 . 5.000 3.683 3.512 3.851 . 0 0 "[ . 1 . 2]" 1
318 1 7 ARG H 1 7 ARG HA 2.900 . 2.900 2.814 2.797 2.833 . 0 0 "[ . 1 . 2]" 1
319 1 7 ARG HA 1 8 GLU H 3.500 . 3.500 3.544 3.533 3.548 0.048 14 0 "[ . 1 . 2]" 1
320 1 7 ARG H 1 7 ARG QB 2.900 . 3.500 2.167 2.046 2.257 . 0 0 "[ . 1 . 2]" 1
321 1 7 ARG QB 1 8 GLU H 3.500 . 4.500 2.345 2.223 2.539 . 0 0 "[ . 1 . 2]" 1
322 1 7 ARG H 1 7 ARG QG 3.500 . 4.500 3.770 3.008 4.035 . 0 0 "[ . 1 . 2]" 1
323 1 7 ARG H 1 8 GLU H 3.500 . 3.500 2.742 2.622 2.825 . 0 0 "[ . 1 . 2]" 1
324 1 8 GLU HA 1 11 HIS H 5.000 . 5.000 3.480 3.381 3.589 . 0 0 "[ . 1 . 2]" 1
325 1 8 GLU H 1 8 GLU HA 2.900 . 2.900 2.811 2.791 2.835 . 0 0 "[ . 1 . 2]" 1
326 1 8 GLU HA 1 9 PHE H 5.000 . 5.000 3.494 3.482 3.524 . 0 0 "[ . 1 . 2]" 1
327 1 8 GLU H 1 8 GLU QB 2.900 . 3.500 2.187 2.044 2.536 . 0 0 "[ . 1 . 2]" 1
328 1 8 GLU QB 1 9 PHE H 3.500 . 4.500 2.799 2.599 2.902 . 0 0 "[ . 1 . 2]" 1
329 1 8 GLU H 1 8 GLU QG 3.500 . 4.500 3.339 1.982 3.979 . 0 0 "[ . 1 . 2]" 1
330 1 8 GLU H 1 9 PHE H 3.500 . 3.500 2.617 2.555 2.679 . 0 0 "[ . 1 . 2]" 1
331 1 9 PHE HA 1 10 ARG H 5.000 . 5.000 3.559 3.497 3.569 . 0 0 "[ . 1 . 2]" 1
332 1 9 PHE HA 1 12 LYS H 5.000 . 5.000 3.641 3.354 3.916 . 0 0 "[ . 1 . 2]" 1
333 1 9 PHE HA 1 13 VAL H 5.000 . 5.000 3.817 3.569 4.208 . 0 0 "[ . 1 . 2]" 1
334 1 9 PHE H 1 9 PHE HA 2.900 . 2.900 2.807 2.799 2.825 . 0 0 "[ . 1 . 2]" 1
335 1 9 PHE QB 1 10 ARG H 3.500 . 4.500 2.374 2.286 2.747 . 0 0 "[ . 1 . 2]" 1
336 1 9 PHE H 1 9 PHE QB 2.900 . 3.500 2.246 2.215 2.258 . 0 0 "[ . 1 . 2]" 1
337 1 9 PHE QD 1 10 ARG H 5.000 . 7.000 3.402 2.765 3.919 . 0 0 "[ . 1 . 2]" 1
338 1 9 PHE H 1 9 PHE QD 3.500 . 5.500 4.174 4.107 4.185 . 0 0 "[ . 1 . 2]" 1
339 1 9 PHE H 1 10 ARG H 2.900 . 2.900 2.765 2.646 2.827 . 0 0 "[ . 1 . 2]" 1
340 1 10 ARG H 1 10 ARG HA 2.900 . 2.900 2.800 2.772 2.841 . 0 0 "[ . 1 . 2]" 1
341 1 10 ARG HA 1 11 HIS H 5.000 . 5.000 3.541 3.518 3.575 . 0 0 "[ . 1 . 2]" 1
342 1 10 ARG HA 1 13 VAL H 5.000 . 5.000 3.813 3.495 4.115 . 0 0 "[ . 1 . 2]" 1
343 1 10 ARG HA 1 14 ASP H 5.000 . 5.000 4.079 3.837 4.285 . 0 0 "[ . 1 . 2]" 1
344 1 10 ARG H 1 10 ARG QB 2.900 . 3.500 2.199 2.059 2.551 . 0 0 "[ . 1 . 2]" 1
345 1 10 ARG QB 1 11 HIS H 2.900 . 3.900 2.572 2.414 2.680 . 0 0 "[ . 1 . 2]" 1
346 1 10 ARG H 1 11 HIS H 3.500 . 3.500 2.723 2.614 2.796 . 0 0 "[ . 1 . 2]" 1
347 1 10 ARG H 1 12 LYS H 5.000 . 5.000 4.290 4.051 4.532 . 0 0 "[ . 1 . 2]" 1
348 1 11 HIS H 1 11 HIS HA 2.900 . 2.900 2.824 2.790 2.852 . 0 0 "[ . 1 . 2]" 1
349 1 11 HIS HA 1 12 LYS H 5.000 . 5.000 3.552 3.515 3.576 . 0 0 "[ . 1 . 2]" 1
350 1 11 HIS HA 1 14 ASP H 5.000 . 5.000 3.812 3.674 3.974 . 0 0 "[ . 1 . 2]" 1
351 1 11 HIS H 1 11 HIS QB 2.900 . 3.500 2.173 2.056 2.361 . 0 0 "[ . 1 . 2]" 1
352 1 11 HIS QB 1 12 LYS H 3.500 . 4.500 2.611 2.356 3.335 . 0 0 "[ . 1 . 2]" 1
353 1 11 HIS H 1 11 HIS HD2 5.000 . 5.000 3.697 2.498 4.752 . 0 0 "[ . 1 . 2]" 1
354 1 11 HIS H 1 12 LYS H 2.900 . 2.900 2.701 2.525 2.853 . 0 0 "[ . 1 . 2]" 1
355 1 12 LYS H 1 12 LYS HA 2.900 . 2.900 2.811 2.781 2.838 . 0 0 "[ . 1 . 2]" 1
356 1 12 LYS HA 1 13 VAL H 5.000 . 5.000 3.555 3.503 3.573 . 0 0 "[ . 1 . 2]" 1
357 1 12 LYS HA 1 15 PHE H 5.000 . 5.000 3.423 3.165 3.627 . 0 0 "[ . 1 . 2]" 1
358 1 12 LYS H 1 12 LYS QB 2.900 . 3.500 2.282 2.041 2.554 . 0 0 "[ . 1 . 2]" 1
359 1 12 LYS QB 1 13 VAL H 2.900 . 3.900 2.856 2.242 3.543 . 0 0 "[ . 1 . 2]" 1
360 1 12 LYS QD 1 13 VAL H 3.500 . 4.500 3.823 2.359 4.096 . 0 0 "[ . 1 . 2]" 1
361 1 12 LYS H 1 12 LYS QG 2.900 . 3.900 2.819 2.050 3.576 . 0 0 "[ . 1 . 2]" 1
362 1 12 LYS H 1 13 VAL QG 5.000 . 7.400 4.140 3.940 4.501 . 0 0 "[ . 1 . 2]" 1
363 1 12 LYS H 1 13 VAL H 3.500 . 3.500 2.771 2.602 2.926 . 0 0 "[ . 1 . 2]" 1
364 1 13 VAL HA 1 14 ASP H 5.000 . 5.000 3.557 3.541 3.569 . 0 0 "[ . 1 . 2]" 1
365 1 13 VAL HA 1 16 LEU H 5.000 . 5.000 3.600 3.373 3.808 . 0 0 "[ . 1 . 2]" 1
366 1 13 VAL HA 1 17 ILE H 5.000 . 5.000 3.334 3.041 3.802 . 0 0 "[ . 1 . 2]" 1
367 1 13 VAL H 1 13 VAL HB 2.900 . 2.900 2.590 2.331 2.717 . 0 0 "[ . 1 . 2]" 1
368 1 13 VAL HB 1 14 ASP H 3.500 . 3.500 2.494 2.384 2.741 . 0 0 "[ . 1 . 2]" 1
369 1 13 VAL HB 1 15 PHE H 5.000 . 5.000 4.874 4.686 5.011 0.011 18 0 "[ . 1 . 2]" 1
370 1 13 VAL H 1 13 VAL QG 2.900 . 4.600 2.101 1.929 2.591 . 0 0 "[ . 1 . 2]" 1
371 1 13 VAL QG 1 14 ASP H 5.000 . 7.400 3.130 2.921 3.264 . 0 0 "[ . 1 . 2]" 1
372 1 13 VAL H 1 14 ASP H 3.500 . 3.500 2.844 2.700 2.908 . 0 0 "[ . 1 . 2]" 1
373 1 14 ASP HA 1 15 PHE H 5.000 . 5.000 3.514 3.481 3.543 . 0 0 "[ . 1 . 2]" 1
374 1 14 ASP HA 1 17 ILE H 5.000 . 5.000 4.070 3.466 4.445 . 0 0 "[ . 1 . 2]" 1
375 1 14 ASP H 1 14 ASP QB 2.900 . 3.500 2.211 2.055 2.519 . 0 0 "[ . 1 . 2]" 1
376 1 14 ASP QB 1 15 PHE H 3.500 . 4.500 2.741 2.483 3.546 . 0 0 "[ . 1 . 2]" 1
377 1 14 ASP H 1 15 PHE H 3.500 . 3.500 2.631 2.494 2.752 . 0 0 "[ . 1 . 2]" 1
378 1 15 PHE H 1 15 PHE HA 2.900 . 2.900 2.837 2.836 2.840 . 0 0 "[ . 1 . 2]" 1
379 1 15 PHE HA 1 16 LEU H 5.000 . 5.000 3.547 3.507 3.570 . 0 0 "[ . 1 . 2]" 1
380 1 15 PHE H 1 15 PHE QB 2.900 . 3.500 2.168 2.050 2.260 . 0 0 "[ . 1 . 2]" 1
381 1 15 PHE QB 1 16 LEU H 5.000 . 6.000 2.534 2.346 2.724 . 0 0 "[ . 1 . 2]" 1
382 1 15 PHE H 1 15 PHE QD 5.000 . 7.000 3.872 2.883 4.187 . 0 0 "[ . 1 . 2]" 1
383 1 15 PHE H 1 16 LEU QD 5.000 . 7.400 4.175 3.718 4.604 . 0 0 "[ . 1 . 2]" 1
384 1 16 LEU H 1 16 LEU HA 2.900 . 2.900 2.870 2.818 2.893 . 0 0 "[ . 1 . 2]" 1
385 1 16 LEU HA 1 17 ILE H 3.500 . 3.500 3.536 3.452 3.556 0.056 5 0 "[ . 1 . 2]" 1
386 1 16 LEU H 1 16 LEU QB 3.500 . 4.100 2.618 2.220 2.847 . 0 0 "[ . 1 . 2]" 1
387 1 16 LEU QB 1 17 ILE H 3.500 . 4.500 2.505 1.929 3.668 . 0 0 "[ . 1 . 2]" 1
388 1 16 LEU H 1 16 LEU QD 3.500 . 5.200 2.757 2.197 3.170 . 0 0 "[ . 1 . 2]" 1
389 1 16 LEU QD 1 17 ILE H 3.500 . 5.900 3.228 2.574 3.605 . 0 0 "[ . 1 . 2]" 1
390 1 16 LEU H 1 16 LEU HG 3.500 . 3.500 2.137 1.880 3.179 . 0 0 "[ . 1 . 2]" 1
391 1 16 LEU H 1 17 ILE H 2.900 . 2.900 2.657 2.382 2.901 0.001 17 0 "[ . 1 . 2]" 1
392 1 17 ILE HA 1 18 GLU H 3.500 . 3.500 3.549 3.538 3.553 0.053 7 0 "[ . 1 . 2]" 1
393 1 17 ILE HA 1 19 ASN H 5.000 . 5.000 3.764 3.601 3.875 . 0 0 "[ . 1 . 2]" 1
394 1 17 ILE H 1 17 ILE HB 2.900 . 2.900 2.648 2.607 2.765 . 0 0 "[ . 1 . 2]" 1
395 1 17 ILE HB 1 18 GLU H 2.900 . 2.900 1.953 1.797 2.157 0.003 15 0 "[ . 1 . 2]" 1
396 1 17 ILE H 1 17 ILE MD 5.000 . 6.500 3.569 2.730 4.004 . 0 0 "[ . 1 . 2]" 1
397 1 17 ILE MD 1 18 GLU H 5.000 . 6.500 4.131 3.924 4.464 . 0 0 "[ . 1 . 2]" 1
398 1 17 ILE H 1 17 ILE QG 3.500 . 4.500 2.073 1.875 2.531 . 0 0 "[ . 1 . 2]" 1
399 1 17 ILE MG 1 18 GLU H 3.500 . 5.000 3.093 2.738 3.395 . 0 0 "[ . 1 . 2]" 1
400 1 17 ILE MG 1 22 GLU H 5.000 . 6.500 3.773 3.561 4.000 . 0 0 "[ . 1 . 2]" 1
401 1 17 ILE MG 1 23 LYS H 5.000 . 6.500 3.339 2.512 3.986 . 0 0 "[ . 1 . 2]" 1
402 1 17 ILE H 1 18 GLU H 2.900 . 2.900 2.828 2.571 2.912 0.012 1 0 "[ . 1 . 2]" 1
403 1 18 GLU H 1 18 GLU HA 2.900 . 2.900 2.282 2.277 2.286 . 0 0 "[ . 1 . 2]" 1
404 1 18 GLU HA 1 19 ASN H 3.500 . 3.500 3.267 3.261 3.316 . 0 0 "[ . 1 . 2]" 1
405 1 18 GLU H 1 18 GLU QB 2.900 . 3.500 3.047 3.015 3.070 . 0 0 "[ . 1 . 2]" 1
406 1 18 GLU QB 1 19 ASN H 2.900 . 3.900 3.440 3.366 3.458 . 0 0 "[ . 1 . 2]" 1
407 1 18 GLU H 1 18 GLU QG 3.500 . 4.500 3.958 3.688 4.080 . 0 0 "[ . 1 . 2]" 1
408 1 18 GLU QG 1 19 ASN H 5.000 . 6.000 4.615 4.482 4.842 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLU H 1 19 ASN H 2.900 . 2.900 2.654 2.620 2.697 . 0 0 "[ . 1 . 2]" 1
410 1 18 GLU H 1 23 LYS QE 5.000 . 6.000 3.299 2.638 4.317 . 0 0 "[ . 1 . 2]" 1
411 1 19 ASN H 1 19 ASN HA 2.900 . 2.900 2.914 2.845 2.936 0.036 10 0 "[ . 1 . 2]" 1
412 1 19 ASN HA 1 20 ASP H 3.500 . 3.500 2.376 2.140 3.432 . 0 0 "[ . 1 . 2]" 1
413 1 19 ASN H 1 19 ASN QB 2.900 . 3.500 2.291 2.130 2.455 . 0 0 "[ . 1 . 2]" 1
414 1 19 ASN QB 1 20 ASP H 3.500 . 4.500 3.145 2.371 3.824 . 0 0 "[ . 1 . 2]" 1
415 1 19 ASN QB 1 22 GLU H 3.500 . 4.500 2.342 2.022 2.672 . 0 0 "[ . 1 . 2]" 1
416 1 19 ASN H 1 20 ASP H 5.000 . 5.000 4.271 2.533 4.564 . 0 0 "[ . 1 . 2]" 1
417 1 20 ASP HA 1 21 ALA H 3.500 . 3.500 3.518 3.500 3.556 0.056 15 0 "[ . 1 . 2]" 1
418 1 20 ASP HA 1 23 LYS H 5.000 . 5.000 3.572 3.420 3.741 . 0 0 "[ . 1 . 2]" 1
419 1 20 ASP H 1 20 ASP QB 3.500 . 4.100 2.358 2.072 3.078 . 0 0 "[ . 1 . 2]" 1
420 1 20 ASP QB 1 21 ALA H 3.500 . 4.500 2.713 2.138 3.480 . 0 0 "[ . 1 . 2]" 1
421 1 20 ASP H 1 21 ALA H 5.000 . 5.000 2.579 1.989 3.651 . 0 0 "[ . 1 . 2]" 1
422 1 20 ASP H 1 22 GLU H 5.000 . 5.000 4.089 3.555 4.647 . 0 0 "[ . 1 . 2]" 1
423 1 21 ALA H 1 21 ALA HA 2.900 . 2.900 2.823 2.776 2.830 . 0 0 "[ . 1 . 2]" 1
424 1 21 ALA HA 1 22 GLU H 3.500 . 3.500 3.535 3.514 3.551 0.051 8 0 "[ . 1 . 2]" 1
425 1 21 ALA HA 1 24 ASP H 3.500 . 3.500 3.481 3.435 3.512 0.012 8 0 "[ . 1 . 2]" 1
426 1 21 ALA H 1 21 ALA MB 2.900 . 4.000 2.128 2.056 2.240 . 0 0 "[ . 1 . 2]" 1
427 1 21 ALA MB 1 22 GLU H 3.500 . 5.000 2.511 2.181 2.738 . 0 0 "[ . 1 . 2]" 1
428 1 21 ALA H 1 22 GLU H 2.900 . 2.900 2.670 2.589 2.810 . 0 0 "[ . 1 . 2]" 1
429 1 22 GLU HA 1 23 LYS H 3.500 . 3.500 3.518 3.502 3.546 0.046 14 0 "[ . 1 . 2]" 1
430 1 22 GLU HA 1 25 TYR H 5.000 . 5.000 3.391 3.313 3.532 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLU HA 1 26 LEU H 5.000 . 5.000 4.215 3.981 4.472 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLU H 1 22 GLU QB 3.500 . 4.100 2.338 2.055 2.581 . 0 0 "[ . 1 . 2]" 1
433 1 22 GLU QB 1 23 LYS H 5.000 . 6.000 2.647 2.368 2.813 . 0 0 "[ . 1 . 2]" 1
434 1 22 GLU H 1 22 GLU QG 2.900 . 3.900 2.670 1.973 3.563 . 0 0 "[ . 1 . 2]" 1
435 1 22 GLU H 1 23 LYS H 2.900 . 2.900 2.646 2.573 2.737 . 0 0 "[ . 1 . 2]" 1
436 1 23 LYS HA 1 24 ASP H 5.000 . 5.000 3.516 3.491 3.551 . 0 0 "[ . 1 . 2]" 1
437 1 23 LYS HA 1 26 LEU H 5.000 . 5.000 3.559 3.460 3.655 . 0 0 "[ . 1 . 2]" 1
438 1 23 LYS H 1 23 LYS QB 2.900 . 3.500 2.236 2.040 2.529 . 0 0 "[ . 1 . 2]" 1
439 1 23 LYS QB 1 24 ASP H 3.500 . 4.500 2.768 2.551 3.501 . 0 0 "[ . 1 . 2]" 1
440 1 23 LYS H 1 23 LYS QG 3.500 . 4.500 2.823 2.046 3.774 . 0 0 "[ . 1 . 2]" 1
441 1 23 LYS QG 1 24 ASP H 5.000 . 6.000 4.199 2.098 4.495 . 0 0 "[ . 1 . 2]" 1
442 1 23 LYS H 1 24 ASP H 2.900 . 2.900 2.597 2.521 2.729 . 0 0 "[ . 1 . 2]" 1
443 1 24 ASP HA 1 25 TYR H 5.000 . 5.000 3.496 3.482 3.516 . 0 0 "[ . 1 . 2]" 1
444 1 24 ASP HA 1 27 TYR H 3.500 . 3.500 3.509 3.502 3.516 0.016 13 0 "[ . 1 . 2]" 1
445 1 24 ASP H 1 24 ASP QB 2.900 . 3.500 2.172 2.073 2.382 . 0 0 "[ . 1 . 2]" 1
446 1 24 ASP QB 1 25 TYR H 2.900 . 3.900 2.797 2.670 2.889 . 0 0 "[ . 1 . 2]" 1
447 1 24 ASP H 1 25 TYR QB 5.000 . 6.000 4.223 4.140 4.331 . 0 0 "[ . 1 . 2]" 1
448 1 24 ASP H 1 25 TYR H 2.900 . 2.900 2.514 2.457 2.650 . 0 0 "[ . 1 . 2]" 1
449 1 25 TYR H 1 25 TYR HA 2.900 . 2.900 2.835 2.810 2.852 . 0 0 "[ . 1 . 2]" 1
450 1 25 TYR HA 1 26 LEU H 5.000 . 5.000 3.557 3.534 3.567 . 0 0 "[ . 1 . 2]" 1
451 1 25 TYR HA 1 28 ASP H 5.000 . 5.000 3.525 3.425 3.626 . 0 0 "[ . 1 . 2]" 1
452 1 25 TYR H 1 25 TYR QB 2.900 . 3.500 2.130 2.060 2.257 . 0 0 "[ . 1 . 2]" 1
453 1 25 TYR QB 1 26 LEU H 3.500 . 4.500 2.447 2.238 2.621 . 0 0 "[ . 1 . 2]" 1
454 1 25 TYR H 1 25 TYR QD 5.000 . 7.000 3.859 3.452 4.201 . 0 0 "[ . 1 . 2]" 1
455 1 25 TYR QD 1 26 LEU H 5.000 . 7.000 4.189 3.471 4.513 . 0 0 "[ . 1 . 2]" 1
456 1 25 TYR H 1 25 TYR QE 5.000 . 7.000 5.959 5.652 6.228 . 0 0 "[ . 1 . 2]" 1
457 1 25 TYR QE 1 26 LEU H 5.000 . 7.000 6.258 5.513 6.522 . 0 0 "[ . 1 . 2]" 1
458 1 25 TYR H 1 26 LEU H 3.500 . 3.500 2.661 2.588 2.769 . 0 0 "[ . 1 . 2]" 1
459 1 26 LEU H 1 26 LEU HA 2.900 . 2.900 2.821 2.797 2.839 . 0 0 "[ . 1 . 2]" 1
460 1 26 LEU HA 1 27 TYR H 3.500 . 3.500 3.507 3.480 3.535 0.035 12 0 "[ . 1 . 2]" 1
461 1 26 LEU H 1 26 LEU QB 2.900 . 3.500 2.457 2.258 2.802 . 0 0 "[ . 1 . 2]" 1
462 1 26 LEU QB 1 27 TYR H 3.500 . 4.500 3.300 2.438 3.544 . 0 0 "[ . 1 . 2]" 1
463 1 26 LEU QD 1 27 TYR H 3.500 . 5.900 2.863 2.179 3.796 . 0 0 "[ . 1 . 2]" 1
464 1 26 LEU H 1 26 LEU HG 2.900 . 2.900 2.382 1.922 2.804 . 0 0 "[ . 1 . 2]" 1
465 1 26 LEU HG 1 27 TYR H 3.500 . 3.500 2.468 1.980 3.521 0.021 12 0 "[ . 1 . 2]" 1
466 1 26 LEU H 1 27 TYR H 3.500 . 3.500 2.616 2.545 2.712 . 0 0 "[ . 1 . 2]" 1
467 1 26 LEU H 1 28 ASP H 5.000 . 5.000 4.115 3.904 4.296 . 0 0 "[ . 1 . 2]" 1
468 1 26 LEU H 1 49 VAL QG 5.000 . 7.400 3.521 2.801 4.273 . 0 0 "[ . 1 . 2]" 1
469 1 27 TYR HA 1 28 ASP H 3.500 . 3.500 3.511 3.499 3.528 0.028 5 0 "[ . 1 . 2]" 1
470 1 27 TYR HA 1 29 VAL H 5.000 . 5.000 4.433 4.337 4.593 . 0 0 "[ . 1 . 2]" 1
471 1 27 TYR HA 1 30 LEU H 5.000 . 5.000 3.590 3.472 3.697 . 0 0 "[ . 1 . 2]" 1
472 1 27 TYR H 1 27 TYR QB 2.900 . 3.500 2.111 2.061 2.268 . 0 0 "[ . 1 . 2]" 1
473 1 27 TYR QB 1 28 ASP H 3.500 . 4.500 2.773 2.648 2.839 . 0 0 "[ . 1 . 2]" 1
474 1 27 TYR H 1 27 TYR QD 3.500 . 5.500 2.963 1.987 3.722 . 0 0 "[ . 1 . 2]" 1
475 1 27 TYR H 1 27 TYR QE 5.000 . 7.000 5.203 4.344 5.753 . 0 0 "[ . 1 . 2]" 1
476 1 27 TYR H 1 28 ASP H 2.900 . 2.900 2.573 2.501 2.702 . 0 0 "[ . 1 . 2]" 1
477 1 28 ASP H 1 28 ASP HA 2.900 . 2.900 2.832 2.820 2.845 . 0 0 "[ . 1 . 2]" 1
478 1 28 ASP HA 1 29 VAL H 5.000 . 5.000 3.535 3.515 3.552 . 0 0 "[ . 1 . 2]" 1
479 1 28 ASP HA 1 31 ARG H 5.000 . 5.000 3.559 3.431 3.704 . 0 0 "[ . 1 . 2]" 1
480 1 28 ASP H 1 28 ASP QB 2.900 . 3.500 2.150 2.069 2.264 . 0 0 "[ . 1 . 2]" 1
481 1 28 ASP QB 1 29 VAL H 5.000 . 6.000 2.624 2.514 2.739 . 0 0 "[ . 1 . 2]" 1
482 1 28 ASP H 1 29 VAL H 2.900 . 2.900 2.609 2.536 2.673 . 0 0 "[ . 1 . 2]" 1
483 1 29 VAL HA 1 30 LEU H 5.000 . 5.000 3.550 3.526 3.567 . 0 0 "[ . 1 . 2]" 1
484 1 29 VAL HA 1 32 MET H 5.000 . 5.000 3.678 3.526 3.931 . 0 0 "[ . 1 . 2]" 1
485 1 29 VAL H 1 29 VAL HB 2.900 . 2.900 2.658 2.603 2.724 . 0 0 "[ . 1 . 2]" 1
486 1 29 VAL HB 1 30 LEU H 2.900 . 2.900 2.484 2.299 2.675 . 0 0 "[ . 1 . 2]" 1
487 1 29 VAL H 1 29 VAL QG 2.900 . 4.600 2.008 1.941 2.123 . 0 0 "[ . 1 . 2]" 1
488 1 29 VAL QG 1 30 LEU H 3.500 . 5.900 3.212 3.102 3.305 . 0 0 "[ . 1 . 2]" 1
489 1 29 VAL QG 1 46 LEU H 3.500 . 5.900 3.172 2.235 3.849 . 0 0 "[ . 1 . 2]" 1
490 1 29 VAL H 1 30 LEU H 2.900 . 2.900 2.719 2.644 2.779 . 0 0 "[ . 1 . 2]" 1
491 1 30 LEU HA 1 31 ARG H 5.000 . 5.000 3.546 3.521 3.561 . 0 0 "[ . 1 . 2]" 1
492 1 30 LEU HA 1 33 TYR H 5.000 . 5.000 3.221 3.141 3.475 . 0 0 "[ . 1 . 2]" 1
493 1 30 LEU H 1 30 LEU QB 2.900 . 3.500 2.228 2.166 2.468 . 0 0 "[ . 1 . 2]" 1
494 1 30 LEU QB 1 31 ARG H 5.000 . 6.000 2.555 2.421 2.692 . 0 0 "[ . 1 . 2]" 1
495 1 30 LEU H 1 30 LEU QD 2.900 . 4.600 3.195 3.021 3.383 . 0 0 "[ . 1 . 2]" 1
496 1 30 LEU QD 1 31 ARG H 5.000 . 7.400 4.029 3.891 4.115 . 0 0 "[ . 1 . 2]" 1
497 1 30 LEU H 1 30 LEU HG 2.900 . 2.900 2.820 2.217 2.910 0.010 3 0 "[ . 1 . 2]" 1
498 1 30 LEU H 1 31 ARG H 2.900 . 2.900 2.674 2.540 2.744 . 0 0 "[ . 1 . 2]" 1
499 1 31 ARG HA 1 32 MET H 3.500 . 3.500 3.522 3.510 3.550 0.050 17 0 "[ . 1 . 2]" 1
500 1 31 ARG HA 1 34 HIS H 5.000 . 5.000 3.849 3.711 4.064 . 0 0 "[ . 1 . 2]" 1
501 1 31 ARG H 1 32 MET H 3.500 . 3.500 2.742 2.679 2.978 . 0 0 "[ . 1 . 2]" 1
502 1 32 MET H 1 32 MET HA 2.900 . 2.900 2.878 2.804 2.901 0.001 9 0 "[ . 1 . 2]" 1
503 1 32 MET HA 1 33 TYR H 5.000 . 5.000 3.488 3.475 3.512 . 0 0 "[ . 1 . 2]" 1
504 1 32 MET HA 1 35 GLN H 5.000 . 5.000 3.337 3.196 3.592 . 0 0 "[ . 1 . 2]" 1
505 1 32 MET H 1 32 MET QB 2.900 . 3.500 2.205 2.120 2.610 . 0 0 "[ . 1 . 2]" 1
506 1 32 MET QB 1 33 TYR H 3.500 . 4.500 2.881 2.739 3.567 . 0 0 "[ . 1 . 2]" 1
507 1 32 MET H 1 32 MET QG 2.900 . 3.900 2.963 2.239 3.485 . 0 0 "[ . 1 . 2]" 1
508 1 32 MET H 1 33 TYR H 3.500 . 3.500 2.383 2.281 2.633 . 0 0 "[ . 1 . 2]" 1
509 1 33 TYR HA 1 34 HIS H 3.500 . 3.500 3.500 3.472 3.515 0.015 2 0 "[ . 1 . 2]" 1
510 1 33 TYR HA 1 35 GLN H 5.000 . 5.000 4.591 4.362 4.744 . 0 0 "[ . 1 . 2]" 1
511 1 33 TYR H 1 33 TYR QB 3.500 . 4.100 2.236 2.211 2.247 . 0 0 "[ . 1 . 2]" 1
512 1 33 TYR QB 1 34 HIS H 3.500 . 4.500 2.782 2.691 2.928 . 0 0 "[ . 1 . 2]" 1
513 1 33 TYR H 1 33 TYR QD 5.000 . 7.000 4.188 4.161 4.196 . 0 0 "[ . 1 . 2]" 1
514 1 33 TYR QD 1 34 HIS H 5.000 . 7.000 4.036 3.829 4.274 . 0 0 "[ . 1 . 2]" 1
515 1 33 TYR QD 1 38 ASP H 3.500 . 5.500 2.357 1.994 2.650 . 0 0 "[ . 1 . 2]" 1
516 1 33 TYR QD 1 39 VAL H 5.000 . 7.000 4.459 4.242 4.678 . 0 0 "[ . 1 . 2]" 1
517 1 33 TYR QE 1 39 VAL H 5.000 . 7.000 2.749 2.614 2.846 . 0 0 "[ . 1 . 2]" 1
518 1 33 TYR H 1 34 HIS H 5.000 . 5.000 2.648 2.568 2.693 . 0 0 "[ . 1 . 2]" 1
519 1 33 TYR H 1 35 GLN H 5.000 . 5.000 4.360 4.147 4.592 . 0 0 "[ . 1 . 2]" 1
520 1 33 TYR H 1 42 LEU QD 5.000 . 7.400 3.827 3.540 4.166 . 0 0 "[ . 1 . 2]" 1
521 1 34 HIS HA 1 35 GLN H 5.000 . 5.000 3.549 3.523 3.569 . 0 0 "[ . 1 . 2]" 1
522 1 34 HIS H 1 34 HIS QB 3.500 . 4.100 2.187 2.047 2.456 . 0 0 "[ . 1 . 2]" 1
523 1 34 HIS QB 1 35 GLN H 3.500 . 4.500 2.519 2.293 2.740 . 0 0 "[ . 1 . 2]" 1
524 1 34 HIS H 1 35 GLN H 3.500 . 3.500 2.633 2.527 2.807 . 0 0 "[ . 1 . 2]" 1
525 1 35 GLN H 1 35 GLN HA 2.900 . 2.900 2.859 2.856 2.861 . 0 0 "[ . 1 . 2]" 1
526 1 35 GLN HA 1 36 THR H 3.500 . 3.500 3.533 3.516 3.550 0.050 9 0 "[ . 1 . 2]" 1
527 1 35 GLN H 1 35 GLN QB 2.900 . 3.500 2.291 2.078 2.715 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLN QB 1 36 THR H 3.500 . 4.500 2.632 2.257 3.408 . 0 0 "[ . 1 . 2]" 1
529 1 35 GLN H 1 35 GLN QG 2.900 . 3.900 2.767 1.948 3.278 . 0 0 "[ . 1 . 2]" 1
530 1 35 GLN H 1 36 THR MG 5.000 . 6.500 4.046 3.769 4.276 . 0 0 "[ . 1 . 2]" 1
531 1 35 GLN H 1 36 THR H 3.500 . 3.500 2.549 2.492 2.648 . 0 0 "[ . 1 . 2]" 1
532 1 36 THR HA 1 37 MET H 5.000 . 5.000 3.530 3.499 3.548 . 0 0 "[ . 1 . 2]" 1
533 1 36 THR HB 1 38 ASP H 5.000 . 5.000 3.857 3.202 4.615 . 0 0 "[ . 1 . 2]" 1
534 1 36 THR H 1 36 THR MG 2.900 . 4.400 2.221 1.954 2.528 . 0 0 "[ . 1 . 2]" 1
535 1 36 THR MG 1 38 ASP H 5.000 . 6.500 4.474 2.146 5.011 . 0 0 "[ . 1 . 2]" 1
536 1 36 THR H 1 37 MET HA 5.000 . 5.000 4.761 4.689 4.972 . 0 0 "[ . 1 . 2]" 1
537 1 36 THR H 1 37 MET H 3.500 . 3.500 2.521 2.445 2.745 . 0 0 "[ . 1 . 2]" 1
538 1 37 MET H 1 37 MET HA 2.900 . 2.900 2.273 2.272 2.275 . 0 0 "[ . 1 . 2]" 1
539 1 37 MET HA 1 38 ASP H 3.500 . 3.500 2.717 2.455 2.914 . 0 0 "[ . 1 . 2]" 1
540 1 37 MET H 1 38 ASP H 3.500 . 3.500 2.736 2.617 2.968 . 0 0 "[ . 1 . 2]" 1
541 1 38 ASP HA 1 39 VAL H 2.900 . 2.900 2.186 2.155 2.211 . 0 0 "[ . 1 . 2]" 1
542 1 38 ASP HA 1 40 ALA H 5.000 . 5.000 3.626 3.488 3.808 . 0 0 "[ . 1 . 2]" 1
543 1 38 ASP H 1 38 ASP QB 2.900 . 3.500 2.474 2.244 2.694 . 0 0 "[ . 1 . 2]" 1
544 1 38 ASP QB 1 39 VAL H 5.000 . 6.000 3.744 3.586 3.917 . 0 0 "[ . 1 . 2]" 1
545 1 38 ASP QB 1 41 VAL H 5.000 . 6.000 2.519 2.263 2.860 . 0 0 "[ . 1 . 2]" 1
546 1 38 ASP H 1 39 VAL H 5.000 . 5.000 4.019 3.828 4.145 . 0 0 "[ . 1 . 2]" 1
547 1 38 ASP H 1 41 VAL QG 5.000 . 7.400 4.433 4.083 4.867 . 0 0 "[ . 1 . 2]" 1
548 1 39 VAL HA 1 40 ALA H 5.000 . 5.000 3.517 3.489 3.552 . 0 0 "[ . 1 . 2]" 1
549 1 39 VAL HA 1 42 LEU H 5.000 . 5.000 3.339 3.236 3.447 . 0 0 "[ . 1 . 2]" 1
550 1 39 VAL HA 1 43 VAL H 5.000 . 5.000 3.949 3.727 4.209 . 0 0 "[ . 1 . 2]" 1
551 1 39 VAL H 1 39 VAL HB 2.900 . 2.900 2.668 2.627 2.721 . 0 0 "[ . 1 . 2]" 1
552 1 39 VAL HB 1 40 ALA H 3.500 . 3.500 2.720 2.491 2.875 . 0 0 "[ . 1 . 2]" 1
553 1 39 VAL H 1 39 VAL QG 3.500 . 5.200 2.064 1.950 2.154 . 0 0 "[ . 1 . 2]" 1
554 1 39 VAL QG 1 40 ALA H 2.900 . 5.300 3.322 3.210 3.400 . 0 0 "[ . 1 . 2]" 1
555 1 39 VAL QG 1 74 TYR H 3.500 . 5.900 3.623 3.160 4.109 . 0 0 "[ . 1 . 2]" 1
556 1 39 VAL H 1 40 ALA H 2.900 . 2.900 2.648 2.573 2.731 . 0 0 "[ . 1 . 2]" 1
557 1 40 ALA H 1 40 ALA HA 2.900 . 2.900 2.798 2.780 2.824 . 0 0 "[ . 1 . 2]" 1
558 1 40 ALA HA 1 41 VAL H 5.000 . 5.000 3.540 3.517 3.566 . 0 0 "[ . 1 . 2]" 1
559 1 40 ALA HA 1 43 VAL H 5.000 . 5.000 3.835 3.723 4.024 . 0 0 "[ . 1 . 2]" 1
560 1 40 ALA H 1 40 ALA MB 2.900 . 4.000 2.140 2.023 2.233 . 0 0 "[ . 1 . 2]" 1
561 1 40 ALA MB 1 41 VAL H 2.900 . 4.400 2.550 2.320 2.738 . 0 0 "[ . 1 . 2]" 1
562 1 40 ALA H 1 41 VAL H 2.900 . 2.900 2.736 2.642 2.850 . 0 0 "[ . 1 . 2]" 1
563 1 40 ALA H 1 42 LEU H 5.000 . 5.000 4.069 3.971 4.250 . 0 0 "[ . 1 . 2]" 1
564 1 41 VAL H 1 41 VAL HA 2.900 . 2.900 2.849 2.811 2.857 . 0 0 "[ . 1 . 2]" 1
565 1 41 VAL HA 1 42 LEU H 3.500 . 3.500 3.515 3.512 3.533 0.033 6 0 "[ . 1 . 2]" 1
566 1 41 VAL HA 1 44 GLY H 5.000 . 5.000 3.558 3.371 3.776 . 0 0 "[ . 1 . 2]" 1
567 1 41 VAL H 1 41 VAL HB 2.900 . 2.900 2.619 2.604 2.659 . 0 0 "[ . 1 . 2]" 1
568 1 41 VAL HB 1 42 LEU H 3.500 . 3.500 2.700 2.538 2.720 . 0 0 "[ . 1 . 2]" 1
569 1 41 VAL H 1 41 VAL QG 2.900 . 4.600 1.992 1.952 2.150 . 0 0 "[ . 1 . 2]" 1
570 1 41 VAL QG 1 42 LEU H 3.500 . 5.900 3.307 3.225 3.328 . 0 0 "[ . 1 . 2]" 1
571 1 41 VAL QG 1 45 ASP H 5.000 . 7.400 3.735 3.514 3.891 . 0 0 "[ . 1 . 2]" 1
572 1 41 VAL H 1 42 LEU H 2.900 . 2.900 2.532 2.502 2.651 . 0 0 "[ . 1 . 2]" 1
573 1 42 LEU HA 1 43 VAL H 5.000 . 5.000 3.555 3.535 3.566 . 0 0 "[ . 1 . 2]" 1
574 1 42 LEU HA 1 44 GLY H 5.000 . 5.000 4.504 4.320 4.798 . 0 0 "[ . 1 . 2]" 1
575 1 42 LEU HA 1 45 ASP H 5.000 . 5.000 3.915 3.629 4.078 . 0 0 "[ . 1 . 2]" 1
576 1 42 LEU H 1 42 LEU QB 3.500 . 4.100 2.231 2.204 2.240 . 0 0 "[ . 1 . 2]" 1
577 1 42 LEU QB 1 43 VAL H 5.000 . 6.000 2.416 2.318 2.568 . 0 0 "[ . 1 . 2]" 1
578 1 42 LEU H 1 42 LEU QD 3.500 . 5.200 3.672 3.569 3.717 . 0 0 "[ . 1 . 2]" 1
579 1 42 LEU QD 1 43 VAL H 5.000 . 7.400 3.614 3.366 3.965 . 0 0 "[ . 1 . 2]" 1
580 1 42 LEU HG 1 43 VAL H 5.000 . 5.000 3.731 3.429 4.038 . 0 0 "[ . 1 . 2]" 1
581 1 42 LEU H 1 43 VAL H 5.000 . 5.000 2.745 2.653 2.843 . 0 0 "[ . 1 . 2]" 1
582 1 43 VAL HA 1 44 GLY H 5.000 . 5.000 3.543 3.534 3.566 . 0 0 "[ . 1 . 2]" 1
583 1 43 VAL HA 1 46 LEU H 5.000 . 5.000 3.799 3.585 3.948 . 0 0 "[ . 1 . 2]" 1
584 1 43 VAL H 1 43 VAL HB 2.900 . 2.900 2.638 2.207 2.693 . 0 0 "[ . 1 . 2]" 1
585 1 43 VAL HB 1 44 GLY H 3.500 . 3.500 2.622 2.375 3.551 0.051 17 0 "[ . 1 . 2]" 1
586 1 43 VAL H 1 43 VAL QG 2.900 . 4.600 2.067 1.934 2.659 . 0 0 "[ . 1 . 2]" 1
587 1 43 VAL QG 1 44 GLY H 3.500 . 5.900 3.189 1.902 3.300 . 0 0 "[ . 1 . 2]" 1
588 1 43 VAL H 1 44 GLY H 3.500 . 3.500 2.717 2.629 2.801 . 0 0 "[ . 1 . 2]" 1
589 1 44 GLY QA 1 45 ASP H 3.500 . 4.500 2.547 2.508 2.654 . 0 0 "[ . 1 . 2]" 1
590 1 44 GLY H 1 45 ASP H 3.500 . 3.500 2.929 2.803 3.024 . 0 0 "[ . 1 . 2]" 1
591 1 45 ASP HA 1 46 LEU H 5.000 . 5.000 3.546 3.489 3.569 . 0 0 "[ . 1 . 2]" 1
592 1 45 ASP HA 1 48 LEU H 5.000 . 5.000 3.418 3.227 3.522 . 0 0 "[ . 1 . 2]" 1
593 1 45 ASP H 1 45 ASP QB 2.900 . 3.500 2.244 2.047 2.531 . 0 0 "[ . 1 . 2]" 1
594 1 45 ASP QB 1 46 LEU H 5.000 . 6.000 2.503 2.248 2.888 . 0 0 "[ . 1 . 2]" 1
595 1 45 ASP H 1 46 LEU H 3.500 . 3.500 2.758 2.619 2.878 . 0 0 "[ . 1 . 2]" 1
596 1 45 ASP H 1 48 LEU QD 3.500 . 5.900 3.673 3.465 4.174 . 0 0 "[ . 1 . 2]" 1
597 1 46 LEU HA 1 47 LYS H 5.000 . 5.000 3.498 3.472 3.563 . 0 0 "[ . 1 . 2]" 1
598 1 46 LEU HA 1 48 LEU H 5.000 . 5.000 4.674 4.449 4.853 . 0 0 "[ . 1 . 2]" 1
599 1 46 LEU H 1 46 LEU QB 3.500 . 4.100 2.208 2.084 2.348 . 0 0 "[ . 1 . 2]" 1
600 1 46 LEU QB 1 47 LYS H 5.000 . 6.000 2.819 2.511 2.952 . 0 0 "[ . 1 . 2]" 1
601 1 46 LEU H 1 46 LEU QD 3.500 . 5.200 3.235 2.430 3.380 . 0 0 "[ . 1 . 2]" 1
602 1 46 LEU QD 1 47 LYS H 5.000 . 7.400 4.208 4.018 4.262 . 0 0 "[ . 1 . 2]" 1
603 1 46 LEU H 1 46 LEU HG 3.500 . 3.500 2.859 2.454 3.511 0.011 15 0 "[ . 1 . 2]" 1
604 1 46 LEU H 1 47 LYS H 3.500 . 3.500 2.715 2.603 2.817 . 0 0 "[ . 1 . 2]" 1
605 1 46 LEU H 1 59 PHE QE 5.000 . 7.000 5.461 4.803 6.135 . 0 0 "[ . 1 . 2]" 1
606 1 47 LYS HA 1 48 LEU H 5.000 . 5.000 3.550 3.511 3.564 . 0 0 "[ . 1 . 2]" 1
607 1 47 LYS HA 1 49 VAL H 5.000 . 5.000 4.329 4.038 4.715 . 0 0 "[ . 1 . 2]" 1
608 1 47 LYS HA 1 50 ILE H 5.000 . 5.000 3.500 3.095 3.611 . 0 0 "[ . 1 . 2]" 1
609 1 47 LYS H 1 47 LYS QB 2.900 . 3.500 2.168 2.065 2.477 . 0 0 "[ . 1 . 2]" 1
610 1 47 LYS QB 1 48 LEU H 3.500 . 4.500 2.506 2.286 2.798 . 0 0 "[ . 1 . 2]" 1
611 1 47 LYS H 1 47 LYS QD 5.000 . 6.000 4.146 3.068 4.696 . 0 0 "[ . 1 . 2]" 1
612 1 47 LYS H 1 47 LYS QG 3.500 . 4.500 3.569 2.373 4.031 . 0 0 "[ . 1 . 2]" 1
613 1 47 LYS H 1 48 LEU H 3.500 . 3.500 2.591 2.522 2.633 . 0 0 "[ . 1 . 2]" 1
614 1 47 LYS H 1 49 VAL H 5.000 . 5.000 4.074 3.874 4.510 . 0 0 "[ . 1 . 2]" 1
615 1 47 LYS H 1 50 ILE H 5.000 . 5.000 4.504 4.278 4.858 . 0 0 "[ . 1 . 2]" 1
616 1 48 LEU H 1 48 LEU HA 2.900 . 2.900 2.775 2.749 2.797 . 0 0 "[ . 1 . 2]" 1
617 1 48 LEU HA 1 49 VAL H 5.000 . 5.000 3.530 3.488 3.571 . 0 0 "[ . 1 . 2]" 1
618 1 48 LEU H 1 48 LEU QB 2.900 . 3.500 2.528 2.352 2.645 . 0 0 "[ . 1 . 2]" 1
619 1 48 LEU QB 1 49 VAL H 5.000 . 6.000 2.574 2.292 2.749 . 0 0 "[ . 1 . 2]" 1
620 1 48 LEU QD 1 49 VAL H 2.900 . 5.300 3.932 3.782 4.074 . 0 0 "[ . 1 . 2]" 1
621 1 48 LEU H 1 48 LEU HG 2.900 . 2.900 2.118 1.922 2.479 . 0 0 "[ . 1 . 2]" 1
622 1 48 LEU H 1 49 VAL H 2.900 . 2.900 2.794 2.672 2.902 0.002 8 0 "[ . 1 . 2]" 1
623 1 48 LEU H 1 50 ILE H 5.000 . 5.000 4.250 3.972 4.376 . 0 0 "[ . 1 . 2]" 1
624 1 49 VAL HA 1 50 ILE H 5.000 . 5.000 3.536 3.497 3.548 . 0 0 "[ . 1 . 2]" 1
625 1 49 VAL HA 1 51 ASN QD 5.000 . 6.000 4.441 2.994 5.149 . 0 0 "[ . 1 . 2]" 1
626 1 49 VAL H 1 49 VAL HB 3.500 . 3.500 2.467 2.296 3.536 0.036 9 0 "[ . 1 . 2]" 1
627 1 49 VAL HB 1 50 ILE H 3.500 . 3.500 3.571 3.517 3.582 0.082 14 0 "[ . 1 . 2]" 1
628 1 49 VAL H 1 49 VAL QG 2.900 . 4.600 2.417 1.870 2.502 . 0 0 "[ . 1 . 2]" 1
629 1 49 VAL QG 1 50 ILE H 3.500 . 5.900 1.901 1.857 2.273 . 0 0 "[ . 1 . 2]" 1
630 1 49 VAL H 1 50 ILE H 2.900 . 2.900 2.446 2.201 2.688 . 0 0 "[ . 1 . 2]" 1
631 1 50 ILE HA 1 51 ASN H 3.500 . 3.500 3.204 2.996 3.520 0.020 18 0 "[ . 1 . 2]" 1
632 1 50 ILE H 1 50 ILE HB 3.500 . 3.500 2.588 2.355 2.731 . 0 0 "[ . 1 . 2]" 1
633 1 50 ILE HB 1 51 ASN H 5.000 . 5.000 3.342 1.863 4.029 . 0 0 "[ . 1 . 2]" 1
634 1 50 ILE H 1 50 ILE MD 5.000 . 6.500 3.670 3.332 3.845 . 0 0 "[ . 1 . 2]" 1
635 1 50 ILE MD 1 58 LEU H 5.000 . 6.500 4.731 4.220 5.185 . 0 0 "[ . 1 . 2]" 1
636 1 50 ILE MD 1 59 PHE H 5.000 . 6.500 3.883 3.152 4.660 . 0 0 "[ . 1 . 2]" 1
637 1 50 ILE MG 1 51 ASN H 5.000 . 6.500 3.586 2.104 4.232 . 0 0 "[ . 1 . 2]" 1
638 1 50 ILE MG 1 52 GLU H 5.000 . 6.500 3.608 1.808 4.560 . 0 0 "[ . 1 . 2]" 1
639 1 50 ILE MG 1 58 LEU H 5.000 . 6.500 4.101 3.150 5.212 . 0 0 "[ . 1 . 2]" 1
640 1 50 ILE H 1 51 ASN H 5.000 . 5.000 2.900 2.657 3.276 . 0 0 "[ . 1 . 2]" 1
641 1 51 ASN H 1 51 ASN QB 3.500 . 4.100 2.599 2.054 3.151 . 0 0 "[ . 1 . 2]" 1
642 1 51 ASN H 1 51 ASN QD 5.000 . 6.000 3.536 1.973 4.390 . 0 0 "[ . 1 . 2]" 1
643 1 51 ASN H 1 52 GLU H 2.900 . 2.900 2.759 2.560 2.922 0.022 8 0 "[ . 1 . 2]" 1
644 1 51 ASN H 1 55 ARG QB 5.000 . 6.000 4.620 4.370 4.938 . 0 0 "[ . 1 . 2]" 1
645 1 51 ASN H 1 55 ARG QD 3.500 . 4.500 4.017 3.722 4.157 . 0 0 "[ . 1 . 2]" 1
646 1 52 GLU H 1 52 GLU QB 3.500 . 4.100 2.459 2.037 2.915 . 0 0 "[ . 1 . 2]" 1
647 1 52 GLU QB 1 55 ARG H 3.500 . 4.500 2.727 2.429 3.122 . 0 0 "[ . 1 . 2]" 1
648 1 52 GLU H 1 52 GLU QG 2.900 . 3.900 2.852 1.944 3.548 . 0 0 "[ . 1 . 2]" 1
649 1 52 GLU H 1 53 PRO QD 3.500 . 4.500 4.065 3.962 4.138 . 0 0 "[ . 1 . 2]" 1
650 1 52 GLU H 1 55 ARG QB 3.500 . 4.500 3.631 3.297 3.708 . 0 0 "[ . 1 . 2]" 1
651 1 52 GLU H 1 55 ARG QD 5.000 . 6.000 2.960 2.695 3.395 . 0 0 "[ . 1 . 2]" 1
652 1 52 GLU H 1 55 ARG QG 5.000 . 6.000 4.433 3.635 5.209 . 0 0 "[ . 1 . 2]" 1
653 1 52 GLU H 1 55 ARG H 5.000 . 5.000 4.497 4.134 4.903 . 0 0 "[ . 1 . 2]" 1
654 1 52 GLU H 1 56 LEU QD 5.000 . 7.400 5.209 4.580 5.518 . 0 0 "[ . 1 . 2]" 1
655 1 53 PRO QB 1 54 SER H 5.000 . 6.000 2.711 2.185 2.904 . 0 0 "[ . 1 . 2]" 1
656 1 53 PRO QD 1 54 SER H 2.900 . 3.900 3.026 2.751 3.248 . 0 0 "[ . 1 . 2]" 1
657 1 53 PRO QG 1 54 SER H 3.500 . 4.500 3.934 3.686 4.004 . 0 0 "[ . 1 . 2]" 1
658 1 54 SER HA 1 55 ARG H 5.000 . 5.000 3.485 3.425 3.524 . 0 0 "[ . 1 . 2]" 1
659 1 54 SER H 1 54 SER QB 2.900 . 3.500 2.432 2.134 2.834 . 0 0 "[ . 1 . 2]" 1
660 1 54 SER QB 1 55 ARG H 5.000 . 6.000 3.043 2.634 3.642 . 0 0 "[ . 1 . 2]" 1
661 1 54 SER H 1 55 ARG H 3.500 . 3.500 2.582 2.556 2.665 . 0 0 "[ . 1 . 2]" 1
662 1 55 ARG HA 1 56 LEU H 5.000 . 5.000 3.353 3.258 3.439 . 0 0 "[ . 1 . 2]" 1
663 1 55 ARG H 1 55 ARG QB 3.500 . 4.100 2.493 2.173 2.753 . 0 0 "[ . 1 . 2]" 1
664 1 55 ARG QB 1 56 LEU H 5.000 . 6.000 3.266 3.063 3.467 . 0 0 "[ . 1 . 2]" 1
665 1 55 ARG H 1 56 LEU H 2.900 . 2.900 2.406 2.266 2.567 . 0 0 "[ . 1 . 2]" 1
666 1 56 LEU H 1 56 LEU QB 3.500 . 4.100 2.259 2.180 2.367 . 0 0 "[ . 1 . 2]" 1
667 1 56 LEU H 1 56 LEU QD 3.500 . 5.200 3.287 3.151 3.385 . 0 0 "[ . 1 . 2]" 1
668 1 56 LEU H 1 56 LEU HG 2.900 . 2.900 2.695 2.401 2.907 0.007 9 0 "[ . 1 . 2]" 1
669 1 56 LEU H 1 57 PRO QD 3.500 . 4.500 2.291 2.122 2.445 . 0 0 "[ . 1 . 2]" 1
670 1 57 PRO HA 1 58 LEU H 5.000 . 5.000 3.498 3.485 3.512 . 0 0 "[ . 1 . 2]" 1
671 1 57 PRO HA 1 59 PHE H 5.000 . 5.000 4.099 3.876 4.403 . 0 0 "[ . 1 . 2]" 1
672 1 57 PRO QD 1 58 LEU H 5.000 . 6.000 2.996 2.775 3.286 . 0 0 "[ . 1 . 2]" 1
673 1 58 LEU HA 1 59 PHE H 5.000 . 5.000 3.521 3.485 3.553 . 0 0 "[ . 1 . 2]" 1
674 1 58 LEU HA 1 60 ASP H 5.000 . 5.000 3.955 3.772 4.614 . 0 0 "[ . 1 . 2]" 1
675 1 58 LEU HA 1 61 ALA H 5.000 . 5.000 3.548 3.420 3.734 . 0 0 "[ . 1 . 2]" 1
676 1 58 LEU H 1 58 LEU QB 3.500 . 4.100 2.157 2.075 2.297 . 0 0 "[ . 1 . 2]" 1
677 1 58 LEU QB 1 59 PHE H 5.000 . 6.000 2.647 2.465 2.841 . 0 0 "[ . 1 . 2]" 1
678 1 58 LEU H 1 58 LEU QD 3.500 . 5.200 3.592 3.215 3.755 . 0 0 "[ . 1 . 2]" 1
679 1 58 LEU QD 1 61 ALA H 5.000 . 7.400 4.133 3.266 5.095 . 0 0 "[ . 1 . 2]" 1
680 1 58 LEU H 1 58 LEU HG 5.000 . 5.000 4.243 2.619 4.543 . 0 0 "[ . 1 . 2]" 1
681 1 58 LEU H 1 59 PHE H 2.900 . 2.900 2.738 2.619 2.817 . 0 0 "[ . 1 . 2]" 1
682 1 58 LEU H 1 60 ASP H 5.000 . 5.000 4.315 4.169 4.616 . 0 0 "[ . 1 . 2]" 1
683 1 59 PHE HA 1 62 ILE H 5.000 . 5.000 3.175 3.125 3.269 . 0 0 "[ . 1 . 2]" 1
684 1 59 PHE H 1 59 PHE QB 3.500 . 4.100 2.302 2.207 2.436 . 0 0 "[ . 1 . 2]" 1
685 1 59 PHE QB 1 60 ASP H 3.500 . 4.500 2.765 2.454 2.864 . 0 0 "[ . 1 . 2]" 1
686 1 59 PHE H 1 59 PHE QD 3.500 . 5.500 2.574 1.945 3.198 . 0 0 "[ . 1 . 2]" 1
687 1 59 PHE H 1 60 ASP H 2.900 . 2.900 2.804 2.771 2.837 . 0 0 "[ . 1 . 2]" 1
688 1 59 PHE H 1 61 ALA H 5.000 . 5.000 4.594 4.160 4.861 . 0 0 "[ . 1 . 2]" 1
689 1 60 ASP H 1 60 ASP HA 2.900 . 2.900 2.766 2.762 2.769 . 0 0 "[ . 1 . 2]" 1
690 1 60 ASP HA 1 61 ALA H 3.500 . 3.500 3.539 3.518 3.548 0.048 1 0 "[ . 1 . 2]" 1
691 1 60 ASP H 1 60 ASP QB 2.900 . 3.500 2.209 2.049 2.495 . 0 0 "[ . 1 . 2]" 1
692 1 60 ASP QB 1 61 ALA H 3.500 . 4.500 2.494 2.238 3.448 . 0 0 "[ . 1 . 2]" 1
693 1 60 ASP H 1 61 ALA MB 5.000 . 6.500 4.512 4.436 4.571 . 0 0 "[ . 1 . 2]" 1
694 1 60 ASP H 1 61 ALA H 2.900 . 2.900 2.844 2.792 2.931 0.031 10 0 "[ . 1 . 2]" 1
695 1 61 ALA H 1 61 ALA HA 2.900 . 2.900 2.853 2.850 2.862 . 0 0 "[ . 1 . 2]" 1
696 1 61 ALA HA 1 62 ILE H 5.000 . 5.000 3.458 3.428 3.488 . 0 0 "[ . 1 . 2]" 1
697 1 61 ALA H 1 61 ALA MB 2.900 . 4.000 2.190 2.057 2.255 . 0 0 "[ . 1 . 2]" 1
698 1 61 ALA MB 1 62 ILE H 5.000 . 6.500 2.945 2.810 3.085 . 0 0 "[ . 1 . 2]" 1
699 1 61 ALA H 1 62 ILE H 2.900 . 2.900 2.543 2.510 2.575 . 0 0 "[ . 1 . 2]" 1
700 1 62 ILE H 1 62 ILE HB 2.900 . 2.900 2.586 2.452 2.664 . 0 0 "[ . 1 . 2]" 1
701 1 62 ILE HB 1 63 ARG H 2.900 . 2.900 2.743 2.575 2.902 0.002 10 0 "[ . 1 . 2]" 1
702 1 62 ILE H 1 62 ILE MD 3.500 . 5.000 3.309 2.846 3.707 . 0 0 "[ . 1 . 2]" 1
703 1 62 ILE MD 1 63 ARG H 5.000 . 6.500 4.637 4.455 4.805 . 0 0 "[ . 1 . 2]" 1
704 1 62 ILE H 1 62 ILE QG 2.900 . 3.900 2.069 1.977 2.348 . 0 0 "[ . 1 . 2]" 1
705 1 62 ILE MG 1 63 ARG H 5.000 . 6.500 3.655 3.447 3.779 . 0 0 "[ . 1 . 2]" 1
706 1 62 ILE H 1 63 ARG H 2.900 . 2.900 2.586 2.512 2.652 . 0 0 "[ . 1 . 2]" 1
707 1 63 ARG H 1 64 PRO QD 3.500 . 4.500 2.219 2.123 2.334 . 0 0 "[ . 1 . 2]" 1
708 1 63 ARG H 1 74 TYR QE 5.000 . 7.000 4.528 3.666 6.040 . 0 0 "[ . 1 . 2]" 1
709 1 64 PRO HA 1 65 LEU H 5.000 . 5.000 3.580 3.569 3.597 . 0 0 "[ . 1 . 2]" 1
710 1 64 PRO QD 1 65 LEU H 5.000 . 6.000 3.210 3.038 3.369 . 0 0 "[ . 1 . 2]" 1
711 1 65 LEU HA 1 66 ILE H 5.000 . 5.000 3.468 3.397 3.512 . 0 0 "[ . 1 . 2]" 1
712 1 65 LEU H 1 65 LEU QB 3.500 . 4.100 2.523 2.279 2.783 . 0 0 "[ . 1 . 2]" 1
713 1 65 LEU QB 1 66 ILE H 3.500 . 4.500 3.172 2.559 3.728 . 0 0 "[ . 1 . 2]" 1
714 1 65 LEU H 1 65 LEU HG 2.900 . 2.900 2.330 1.895 2.907 0.007 20 0 "[ . 1 . 2]" 1
715 1 65 LEU H 1 66 ILE HB 5.000 . 5.000 4.423 4.342 4.498 . 0 0 "[ . 1 . 2]" 1
716 1 65 LEU H 1 66 ILE MD 5.000 . 6.500 5.119 4.513 5.298 . 0 0 "[ . 1 . 2]" 1
717 1 65 LEU H 1 66 ILE MG 5.000 . 6.500 5.231 4.875 5.501 . 0 0 "[ . 1 . 2]" 1
718 1 65 LEU H 1 66 ILE H 2.900 . 2.900 2.574 2.499 2.652 . 0 0 "[ . 1 . 2]" 1
719 1 66 ILE H 1 66 ILE HB 3.500 . 3.500 2.161 2.112 2.277 . 0 0 "[ . 1 . 2]" 1
720 1 66 ILE H 1 66 ILE MD 3.500 . 5.000 3.525 2.983 3.774 . 0 0 "[ . 1 . 2]" 1
721 1 66 ILE H 1 66 ILE QG 3.500 . 4.500 3.473 2.849 3.974 . 0 0 "[ . 1 . 2]" 1
722 1 66 ILE MG 1 70 HIS H 3.500 . 5.000 3.750 3.589 3.998 . 0 0 "[ . 1 . 2]" 1
723 1 66 ILE MG 1 71 GLN H 3.500 . 5.000 2.639 2.236 2.844 . 0 0 "[ . 1 . 2]" 1
724 1 67 PRO HA 1 68 LEU H 2.900 . 2.900 2.284 2.268 2.298 . 0 0 "[ . 1 . 2]" 1
725 1 67 PRO QB 1 68 LEU H 3.500 . 4.500 2.815 2.802 2.849 . 0 0 "[ . 1 . 2]" 1
726 1 67 PRO QB 1 69 LYS H 5.000 . 6.000 3.590 3.002 3.854 . 0 0 "[ . 1 . 2]" 1
727 1 68 LEU H 1 68 LEU HA 2.900 . 2.900 2.757 2.746 2.772 . 0 0 "[ . 1 . 2]" 1
728 1 68 LEU HA 1 69 LYS H 5.000 . 5.000 3.566 3.553 3.576 . 0 0 "[ . 1 . 2]" 1
729 1 68 LEU HA 1 70 HIS H 5.000 . 5.000 4.379 4.157 4.684 . 0 0 "[ . 1 . 2]" 1
730 1 68 LEU HA 1 71 GLN H 5.000 . 5.000 3.488 3.341 3.812 . 0 0 "[ . 1 . 2]" 1
731 1 68 LEU H 1 68 LEU QB 2.900 . 3.500 2.965 2.949 2.976 . 0 0 "[ . 1 . 2]" 1
732 1 68 LEU QB 1 69 LYS H 2.900 . 3.900 2.163 1.944 2.854 . 0 0 "[ . 1 . 2]" 1
733 1 68 LEU QD 1 69 LYS H 3.500 . 5.900 1.899 1.818 2.055 . 0 0 "[ . 1 . 2]" 1
734 1 68 LEU QD 1 70 HIS H 3.500 . 5.900 3.667 3.396 3.906 . 0 0 "[ . 1 . 2]" 1
735 1 69 LYS H 1 69 LYS HA 2.900 . 2.900 2.748 2.705 2.880 . 0 0 "[ . 1 . 2]" 1
736 1 69 LYS HA 1 70 HIS H 5.000 . 5.000 3.516 3.482 3.557 . 0 0 "[ . 1 . 2]" 1
737 1 69 LYS HA 1 72 VAL H 5.000 . 5.000 3.617 3.441 3.867 . 0 0 "[ . 1 . 2]" 1
738 1 69 LYS H 1 69 LYS QB 3.500 . 4.100 2.492 2.098 2.654 . 0 0 "[ . 1 . 2]" 1
739 1 69 LYS QB 1 70 HIS H 3.500 . 4.500 3.124 2.460 3.526 . 0 0 "[ . 1 . 2]" 1
740 1 69 LYS H 1 69 LYS QD 2.900 . 3.900 2.846 2.012 3.556 . 0 0 "[ . 1 . 2]" 1
741 1 69 LYS H 1 69 LYS QG 2.900 . 3.900 2.326 1.813 3.568 . 0 0 "[ . 1 . 2]" 1
742 1 69 LYS QG 1 70 HIS H 5.000 . 6.000 2.747 1.926 4.423 . 0 0 "[ . 1 . 2]" 1
743 1 69 LYS H 1 70 HIS H 3.500 . 3.500 2.824 2.386 3.018 . 0 0 "[ . 1 . 2]" 1
744 1 69 LYS H 1 71 GLN H 5.000 . 5.000 4.191 3.986 4.312 . 0 0 "[ . 1 . 2]" 1
745 1 70 HIS HA 1 71 GLN H 5.000 . 5.000 3.508 3.477 3.529 . 0 0 "[ . 1 . 2]" 1
746 1 70 HIS HA 1 73 GLU H 5.000 . 5.000 3.530 3.387 3.597 . 0 0 "[ . 1 . 2]" 1
747 1 70 HIS H 1 70 HIS QB 3.500 . 4.100 2.333 2.250 2.527 . 0 0 "[ . 1 . 2]" 1
748 1 70 HIS H 1 70 HIS HD2 5.000 . 5.000 2.515 1.972 2.994 . 0 0 "[ . 1 . 2]" 1
749 1 70 HIS H 1 71 GLN QB 5.000 . 6.000 4.446 4.215 4.868 . 0 0 "[ . 1 . 2]" 1
750 1 70 HIS H 1 71 GLN H 2.900 . 2.900 2.605 2.554 2.686 . 0 0 "[ . 1 . 2]" 1
751 1 71 GLN HA 1 72 VAL H 3.500 . 3.500 3.538 3.508 3.546 0.046 13 0 "[ . 1 . 2]" 1
752 1 71 GLN HA 1 74 TYR H 5.000 . 5.000 3.527 3.417 3.668 . 0 0 "[ . 1 . 2]" 1
753 1 71 GLN H 1 71 GLN QB 2.900 . 3.500 2.232 2.042 2.595 . 0 0 "[ . 1 . 2]" 1
754 1 71 GLN QB 1 72 VAL H 3.500 . 4.500 2.517 2.354 3.447 . 0 0 "[ . 1 . 2]" 1
755 1 71 GLN H 1 71 GLN QG 3.500 . 4.500 2.774 2.172 3.486 . 0 0 "[ . 1 . 2]" 1
756 1 71 GLN H 1 72 VAL H 2.900 . 2.900 2.729 2.556 2.820 . 0 0 "[ . 1 . 2]" 1
757 1 72 VAL H 1 72 VAL HA 2.900 . 2.900 2.793 2.780 2.827 . 0 0 "[ . 1 . 2]" 1
758 1 72 VAL HA 1 73 GLU H 5.000 . 5.000 3.566 3.555 3.574 . 0 0 "[ . 1 . 2]" 1
759 1 72 VAL HA 1 75 ASP H 5.000 . 5.000 3.668 3.567 3.779 . 0 0 "[ . 1 . 2]" 1
760 1 72 VAL H 1 72 VAL HB 2.900 . 2.900 2.676 2.621 2.706 . 0 0 "[ . 1 . 2]" 1
761 1 72 VAL HB 1 73 GLU H 2.900 . 2.900 2.355 2.238 2.474 . 0 0 "[ . 1 . 2]" 1
762 1 72 VAL H 1 72 VAL QG 2.900 . 4.600 2.000 1.939 2.108 . 0 0 "[ . 1 . 2]" 1
763 1 72 VAL QG 1 73 GLU H 3.500 . 5.900 3.143 3.059 3.210 . 0 0 "[ . 1 . 2]" 1
764 1 72 VAL QG 1 76 GLN QE 5.000 . 8.400 3.781 2.511 4.892 . 0 0 "[ . 1 . 2]" 1
765 1 73 GLU H 1 73 GLU HA 2.900 . 2.900 2.825 2.812 2.841 . 0 0 "[ . 1 . 2]" 1
766 1 73 GLU HA 1 74 TYR H 5.000 . 5.000 3.521 3.493 3.541 . 0 0 "[ . 1 . 2]" 1
767 1 73 GLU HA 1 76 GLN H 2.900 . 2.900 2.956 2.951 2.963 0.063 13 0 "[ . 1 . 2]" 1
768 1 73 GLU H 1 73 GLU QB 2.900 . 3.500 2.187 2.052 2.471 . 0 0 "[ . 1 . 2]" 1
769 1 73 GLU QB 1 74 TYR H 5.000 . 6.000 2.693 2.571 2.868 . 0 0 "[ . 1 . 2]" 1
770 1 73 GLU H 1 73 GLU QG 3.500 . 4.500 3.852 2.198 4.038 . 0 0 "[ . 1 . 2]" 1
771 1 73 GLU H 1 74 TYR H 2.900 . 2.900 2.627 2.570 2.668 . 0 0 "[ . 1 . 2]" 1
772 1 74 TYR H 1 74 TYR HA 2.900 . 2.900 2.782 2.777 2.802 . 0 0 "[ . 1 . 2]" 1
773 1 74 TYR HA 1 75 ASP H 3.500 . 3.500 3.514 3.509 3.522 0.022 8 0 "[ . 1 . 2]" 1
774 1 74 TYR HA 1 77 LEU H 5.000 . 5.000 3.620 3.555 3.688 . 0 0 "[ . 1 . 2]" 1
775 1 74 TYR H 1 74 TYR QB 2.900 . 3.500 2.219 2.154 2.261 . 0 0 "[ . 1 . 2]" 1
776 1 74 TYR QB 1 75 ASP H 3.500 . 4.500 2.549 2.478 2.600 . 0 0 "[ . 1 . 2]" 1
777 1 74 TYR H 1 74 TYR QD 5.000 . 7.000 4.105 3.906 4.190 . 0 0 "[ . 1 . 2]" 1
778 1 74 TYR QD 1 75 ASP H 3.500 . 5.500 3.988 3.565 4.401 . 0 0 "[ . 1 . 2]" 1
779 1 74 TYR H 1 75 ASP H 3.500 . 3.500 2.702 2.631 2.737 . 0 0 "[ . 1 . 2]" 1
780 1 74 TYR H 1 76 GLN H 5.000 . 5.000 3.935 3.877 3.972 . 0 0 "[ . 1 . 2]" 1
781 1 75 ASP H 1 75 ASP HA 2.900 . 2.900 2.856 2.854 2.857 . 0 0 "[ . 1 . 2]" 1
782 1 75 ASP HA 1 76 GLN H 5.000 . 5.000 3.510 3.501 3.524 . 0 0 "[ . 1 . 2]" 1
783 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.225 2.071 2.459 . 0 0 "[ . 1 . 2]" 1
784 1 75 ASP QB 1 76 GLN H 3.500 . 4.500 2.796 2.681 2.897 . 0 0 "[ . 1 . 2]" 1
785 1 75 ASP H 1 76 GLN H 2.900 . 2.900 2.475 2.465 2.495 . 0 0 "[ . 1 . 2]" 1
786 1 75 ASP H 1 77 LEU H 5.000 . 5.000 4.038 3.973 4.084 . 0 0 "[ . 1 . 2]" 1
787 1 76 GLN H 1 76 GLN HA 2.900 . 2.900 2.825 2.811 2.829 . 0 0 "[ . 1 . 2]" 1
788 1 76 GLN HA 1 77 LEU H 3.500 . 3.500 3.492 3.479 3.505 0.005 4 0 "[ . 1 . 2]" 1
789 1 76 GLN HA 1 78 THR H 5.000 . 5.000 4.677 4.354 4.927 . 0 0 "[ . 1 . 2]" 1
790 1 76 GLN H 1 76 GLN QB 2.900 . 3.500 2.213 2.044 2.530 . 0 0 "[ . 1 . 2]" 1
791 1 76 GLN QB 1 77 LEU H 5.000 . 6.000 2.843 2.741 2.918 . 0 0 "[ . 1 . 2]" 1
792 1 76 GLN H 1 77 LEU H 2.900 . 2.900 2.599 2.576 2.634 . 0 0 "[ . 1 . 2]" 1
793 1 76 GLN H 1 78 THR H 5.000 . 5.000 4.087 3.941 4.297 . 0 0 "[ . 1 . 2]" 1
794 1 77 LEU H 1 77 LEU HA 2.900 . 2.900 2.903 2.879 2.915 0.015 13 0 "[ . 1 . 2]" 1
795 1 77 LEU HA 1 78 THR H 3.500 . 3.500 3.518 3.479 3.540 0.040 1 0 "[ . 1 . 2]" 1
796 1 77 LEU H 1 77 LEU QB 2.900 . 3.500 2.419 2.265 2.631 . 0 0 "[ . 1 . 2]" 1
797 1 77 LEU QB 1 78 THR H 5.000 . 6.000 2.605 2.432 2.845 . 0 0 "[ . 1 . 2]" 1
798 1 77 LEU H 1 77 LEU QD 2.900 . 4.600 3.175 2.985 3.371 . 0 0 "[ . 1 . 2]" 1
799 1 77 LEU QD 1 78 THR H 5.000 . 7.400 4.007 3.824 4.246 . 0 0 "[ . 1 . 2]" 1
800 1 77 LEU H 1 77 LEU HG 2.900 . 2.900 2.584 2.173 2.902 0.002 1 0 "[ . 1 . 2]" 1
801 1 77 LEU H 1 78 THR H 2.900 . 2.900 2.317 2.237 2.463 . 0 0 "[ . 1 . 2]" 1
802 1 78 THR H 1 78 THR HA 2.900 . 2.900 2.881 2.814 2.931 0.031 13 0 "[ . 1 . 2]" 1
803 1 78 THR H 1 78 THR MG 2.900 . 4.400 2.440 2.080 2.830 . 0 0 "[ . 1 . 2]" 1
804 1 7 ARG QB 1 11 HIS HD2 5.000 . 6.000 4.523 3.651 5.262 . 0 0 "[ . 1 . 2]" 1
805 1 7 ARG QG 1 11 HIS HD2 5.000 . 6.000 3.570 2.289 5.044 . 0 0 "[ . 1 . 2]" 1
806 1 8 GLU HA 1 11 HIS HD2 5.000 . 5.000 3.710 1.854 4.913 . 0 0 "[ . 1 . 2]" 1
807 1 9 PHE HA 1 9 PHE QD 3.500 . 5.500 2.644 2.066 3.183 . 0 0 "[ . 1 . 2]" 1
808 1 9 PHE HA 1 9 PHE QE 5.000 . 7.000 4.583 4.355 4.805 . 0 0 "[ . 1 . 2]" 1
809 1 9 PHE QB 1 9 PHE QD 2.900 . 5.900 2.150 2.123 2.208 . 0 0 "[ . 1 . 2]" 1
810 1 9 PHE QD 1 13 VAL QG 3.500 . 7.900 2.600 2.041 3.140 . 0 0 "[ . 1 . 2]" 1
811 1 9 PHE QD 1 61 ALA MB 2.900 . 6.400 1.899 1.826 1.991 . 0 0 "[ . 1 . 2]" 1
812 1 9 PHE QD 1 62 ILE HA 5.000 . 7.000 4.102 3.325 5.302 . 0 0 "[ . 1 . 2]" 1
813 1 9 PHE QD 1 62 ILE MD 5.000 . 8.500 4.546 3.573 5.391 . 0 0 "[ . 1 . 2]" 1
814 1 9 PHE QE 1 13 VAL QG 3.500 . 7.900 2.399 2.063 2.838 . 0 0 "[ . 1 . 2]" 1
815 1 9 PHE QE 1 61 ALA MB 3.500 . 7.000 2.807 2.351 3.182 . 0 0 "[ . 1 . 2]" 1
816 1 9 PHE QE 1 62 ILE HA 3.500 . 5.500 3.100 1.989 4.464 . 0 0 "[ . 1 . 2]" 1
817 1 9 PHE QE 1 62 ILE MD 3.500 . 7.000 2.818 1.932 3.752 . 0 0 "[ . 1 . 2]" 1
818 1 9 PHE QE 1 62 ILE QG 5.000 . 8.000 2.926 1.872 4.142 . 0 0 "[ . 1 . 2]" 1
819 1 9 PHE QE 1 62 ILE MG 3.500 . 7.000 4.061 3.220 5.109 . 0 0 "[ . 1 . 2]" 1
820 1 9 PHE HZ 1 13 VAL QG 3.500 . 5.900 3.067 2.741 3.380 . 0 0 "[ . 1 . 2]" 1
821 1 9 PHE HZ 1 62 ILE HA 5.000 . 5.000 4.328 3.884 5.003 0.003 4 0 "[ . 1 . 2]" 1
822 1 9 PHE HZ 1 62 ILE MD 3.500 . 5.000 3.097 2.027 4.033 . 0 0 "[ . 1 . 2]" 1
823 1 9 PHE HZ 1 62 ILE QG 5.000 . 6.000 3.677 2.350 5.301 . 0 0 "[ . 1 . 2]" 1
824 1 10 ARG HA 1 27 TYR QE 5.000 . 7.000 4.757 3.344 5.958 . 0 0 "[ . 1 . 2]" 1
825 1 11 HIS HA 1 11 HIS HD2 5.000 . 5.000 4.216 2.990 5.001 0.001 4 0 "[ . 1 . 2]" 1
826 1 12 LYS HA 1 15 PHE QD 5.000 . 7.000 4.094 3.343 4.863 . 0 0 "[ . 1 . 2]" 1
827 1 12 LYS QG 1 15 PHE QD 5.000 . 8.000 5.634 4.580 6.358 . 0 0 "[ . 1 . 2]" 1
828 1 13 VAL QG 1 27 TYR QD 5.000 . 9.400 4.331 3.263 4.911 . 0 0 "[ . 1 . 2]" 1
829 1 13 VAL QG 1 27 TYR QE 3.500 . 7.900 3.816 2.201 4.843 . 0 0 "[ . 1 . 2]" 1
830 1 15 PHE HA 1 15 PHE QD 3.500 . 5.500 2.425 2.060 3.082 . 0 0 "[ . 1 . 2]" 1
831 1 15 PHE QD 1 16 LEU QD 3.500 . 7.900 4.018 2.981 4.752 . 0 0 "[ . 1 . 2]" 1
832 1 15 PHE QD 1 16 LEU HG 5.000 . 7.000 4.707 2.711 5.773 . 0 0 "[ . 1 . 2]" 1
833 1 15 PHE QE 1 16 LEU QD 5.000 . 9.400 5.517 3.925 6.216 . 0 0 "[ . 1 . 2]" 1
834 1 17 ILE MD 1 27 TYR QD 5.000 . 8.500 6.217 5.923 6.311 . 0 0 "[ . 1 . 2]" 1
835 1 22 GLU HA 1 25 TYR QD 5.000 . 7.000 4.316 3.990 4.532 . 0 0 "[ . 1 . 2]" 1
836 1 22 GLU HA 1 25 TYR QE 5.000 . 7.000 6.206 6.062 6.244 . 0 0 "[ . 1 . 2]" 1
837 1 24 ASP HA 1 27 TYR QD 5.000 . 7.000 4.092 3.665 4.617 . 0 0 "[ . 1 . 2]" 1
838 1 25 TYR HA 1 25 TYR QD 3.500 . 5.500 2.512 1.988 2.982 . 0 0 "[ . 1 . 2]" 1
839 1 25 TYR QB 1 25 TYR QD 2.900 . 5.900 2.161 2.135 2.194 . 0 0 "[ . 1 . 2]" 1
840 1 25 TYR QD 1 28 ASP QB 3.500 . 6.500 4.083 3.615 4.658 . 0 0 "[ . 1 . 2]" 1
841 1 25 TYR QD 1 29 VAL QG 3.500 . 7.900 3.275 2.204 4.124 . 0 0 "[ . 1 . 2]" 1
842 1 25 TYR QD 1 49 VAL HB 3.500 . 5.500 3.117 2.169 4.049 . 0 0 "[ . 1 . 2]" 1
843 1 25 TYR QD 1 49 VAL QG 2.900 . 7.300 2.524 1.868 3.130 . 0 0 "[ . 1 . 2]" 1
844 1 25 TYR QE 1 29 VAL QG 3.500 . 7.900 3.845 2.636 4.926 . 0 0 "[ . 1 . 2]" 1
845 1 25 TYR QE 1 49 VAL HB 3.500 . 5.500 4.065 3.362 4.866 . 0 0 "[ . 1 . 2]" 1
846 1 25 TYR QE 1 49 VAL QG 2.900 . 7.300 3.737 2.009 4.322 . 0 0 "[ . 1 . 2]" 1
847 1 27 TYR HA 1 27 TYR QD 3.500 . 5.500 2.838 2.285 3.003 . 0 0 "[ . 1 . 2]" 1
848 1 27 TYR QD 1 30 LEU QD 3.500 . 7.900 4.006 3.528 4.379 . 0 0 "[ . 1 . 2]" 1
849 1 27 TYR QE 1 30 LEU QD 2.900 . 7.300 4.505 4.123 4.825 . 0 0 "[ . 1 . 2]" 1
850 1 30 LEU HA 1 33 TYR QD 5.000 . 7.000 3.304 2.830 3.734 . 0 0 "[ . 1 . 2]" 1
851 1 33 TYR QD 1 39 VAL HA 3.500 . 5.500 3.636 3.278 3.844 . 0 0 "[ . 1 . 2]" 1
852 1 33 TYR QD 1 39 VAL HB 5.000 . 7.000 6.157 5.848 6.240 . 0 0 "[ . 1 . 2]" 1
853 1 33 TYR QD 1 39 VAL QG 3.500 . 7.900 4.050 3.809 4.168 . 0 0 "[ . 1 . 2]" 1
854 1 33 TYR QD 1 42 LEU QB 5.000 . 8.000 2.573 2.163 3.022 . 0 0 "[ . 1 . 2]" 1
855 1 33 TYR QE 1 39 VAL HA 3.500 . 5.500 2.124 1.955 2.476 . 0 0 "[ . 1 . 2]" 1
856 1 33 TYR QE 1 39 VAL HB 3.500 . 5.500 4.236 3.961 4.390 . 0 0 "[ . 1 . 2]" 1
857 1 33 TYR QE 1 39 VAL QG 3.500 . 7.900 2.149 1.929 2.302 . 0 0 "[ . 1 . 2]" 1
858 1 33 TYR QE 1 42 LEU QB 5.000 . 8.000 3.227 2.967 3.495 . 0 0 "[ . 1 . 2]" 1
859 1 33 TYR QE 1 42 LEU QD 3.500 . 7.900 2.712 2.285 3.004 . 0 0 "[ . 1 . 2]" 1
860 1 33 TYR QE 1 66 ILE HB 5.000 . 7.000 4.630 4.332 4.996 . 0 0 "[ . 1 . 2]" 1
861 1 33 TYR QE 1 66 ILE MD 3.500 . 7.000 2.687 1.953 3.557 . 0 0 "[ . 1 . 2]" 1
862 1 33 TYR QE 1 66 ILE MG 3.500 . 7.000 3.698 2.718 4.544 . 0 0 "[ . 1 . 2]" 1
863 1 33 TYR QE 1 67 PRO QD 5.000 . 8.000 2.834 2.174 3.885 . 0 0 "[ . 1 . 2]" 1
864 1 34 HIS HA 1 34 HIS HD2 3.500 . 3.500 2.769 2.114 3.372 . 0 0 "[ . 1 . 2]" 1
865 1 34 HIS QB 1 34 HIS HD2 3.500 . 4.500 3.055 2.770 3.295 . 0 0 "[ . 1 . 2]" 1
866 1 34 HIS HD2 1 37 MET ME 5.000 . 6.500 3.349 1.963 4.785 . 0 0 "[ . 1 . 2]" 1
867 1 39 VAL QG 1 70 HIS HD2 3.500 . 5.900 4.215 3.792 4.384 . 0 0 "[ . 1 . 2]" 1
868 1 43 VAL HA 1 74 TYR QD 5.000 . 7.000 5.048 3.966 5.849 . 0 0 "[ . 1 . 2]" 1
869 1 43 VAL HA 1 74 TYR QE 3.500 . 5.500 3.327 2.055 4.613 . 0 0 "[ . 1 . 2]" 1
870 1 43 VAL QG 1 59 PHE HZ 5.000 . 7.400 4.174 3.677 4.874 . 0 0 "[ . 1 . 2]" 1
871 1 46 LEU QB 1 59 PHE QD 5.000 . 8.000 4.218 3.799 4.770 . 0 0 "[ . 1 . 2]" 1
872 1 46 LEU QB 1 59 PHE QE 3.500 . 6.500 2.577 1.943 3.429 . 0 0 "[ . 1 . 2]" 1
873 1 46 LEU QD 1 59 PHE QE 5.000 . 9.400 2.866 2.089 3.516 . 0 0 "[ . 1 . 2]" 1
874 1 46 LEU QD 1 74 TYR QE 2.900 . 7.300 2.642 1.924 3.071 . 0 0 "[ . 1 . 2]" 1
875 1 46 LEU HG 1 59 PHE QE 5.000 . 7.000 5.025 4.070 5.857 . 0 0 "[ . 1 . 2]" 1
876 1 47 LYS HA 1 59 PHE HZ 3.500 . 3.500 2.890 2.345 3.498 . 0 0 "[ . 1 . 2]" 1
877 1 47 LYS QG 1 59 PHE QE 5.000 . 8.000 4.100 3.600 4.722 . 0 0 "[ . 1 . 2]" 1
878 1 47 LYS QG 1 59 PHE HZ 3.500 . 4.500 3.442 2.700 4.010 . 0 0 "[ . 1 . 2]" 1
879 1 50 ILE MD 1 59 PHE QD 3.500 . 7.000 3.308 2.822 3.948 . 0 0 "[ . 1 . 2]" 1
880 1 50 ILE MD 1 59 PHE QE 3.500 . 7.000 2.705 1.930 3.126 . 0 0 "[ . 1 . 2]" 1
881 1 50 ILE MD 1 59 PHE HZ 5.000 . 6.500 3.244 1.941 4.399 . 0 0 "[ . 1 . 2]" 1
882 1 50 ILE MG 1 59 PHE QD 3.500 . 7.000 3.105 1.950 4.822 . 0 0 "[ . 1 . 2]" 1
883 1 50 ILE MG 1 59 PHE QE 3.500 . 7.000 2.287 1.933 3.658 . 0 0 "[ . 1 . 2]" 1
884 1 50 ILE MG 1 59 PHE HZ 5.000 . 6.500 3.664 3.012 4.215 . 0 0 "[ . 1 . 2]" 1
885 1 56 LEU HA 1 59 PHE QD 3.500 . 5.500 2.510 1.984 3.130 . 0 0 "[ . 1 . 2]" 1
886 1 56 LEU HA 1 59 PHE QE 5.000 . 7.000 3.147 2.871 3.478 . 0 0 "[ . 1 . 2]" 1
887 1 56 LEU QB 1 59 PHE QD 5.000 . 8.000 3.914 3.586 4.403 . 0 0 "[ . 1 . 2]" 1
888 1 56 LEU QB 1 59 PHE QE 3.500 . 6.500 4.850 4.518 5.162 . 0 0 "[ . 1 . 2]" 1
889 1 56 LEU QD 1 59 PHE QD 3.500 . 7.900 2.799 2.022 3.614 . 0 0 "[ . 1 . 2]" 1
890 1 56 LEU QD 1 59 PHE QE 3.500 . 7.900 2.703 1.972 3.495 . 0 0 "[ . 1 . 2]" 1
891 1 56 LEU HG 1 59 PHE QD 5.000 . 7.000 4.855 4.322 5.303 . 0 0 "[ . 1 . 2]" 1
892 1 59 PHE HA 1 59 PHE QD 3.500 . 5.500 2.672 1.997 3.095 . 0 0 "[ . 1 . 2]" 1
893 1 59 PHE QD 1 62 ILE HB 5.000 . 7.000 3.665 3.000 4.313 . 0 0 "[ . 1 . 2]" 1
894 1 59 PHE QD 1 62 ILE MD 5.000 . 8.500 3.731 1.855 5.193 . 0 0 "[ . 1 . 2]" 1
895 1 59 PHE QD 1 62 ILE MG 5.000 . 8.500 3.908 3.211 4.561 . 0 0 "[ . 1 . 2]" 1
896 1 59 PHE QD 1 74 TYR QE 5.000 . 9.000 2.189 1.978 2.682 . 0 0 "[ . 1 . 2]" 1
897 1 59 PHE QD 1 78 THR HB 3.500 . 5.500 4.437 3.470 4.906 . 0 0 "[ . 1 . 2]" 1
898 1 59 PHE QD 1 78 THR MG 3.500 . 7.000 3.293 2.063 4.059 . 0 0 "[ . 1 . 2]" 1
899 1 59 PHE QE 1 62 ILE HB 5.000 . 7.000 5.412 5.017 5.835 . 0 0 "[ . 1 . 2]" 1
900 1 59 PHE QE 1 74 TYR QE 5.000 . 9.000 3.503 1.977 4.042 . 0 0 "[ . 1 . 2]" 1
901 1 59 PHE QE 1 78 THR HB 5.000 . 7.000 4.579 3.747 5.263 . 0 0 "[ . 1 . 2]" 1
902 1 59 PHE QE 1 78 THR MG 3.500 . 7.000 3.090 2.191 4.000 . 0 0 "[ . 1 . 2]" 1
903 1 59 PHE HZ 1 78 THR MG 5.000 . 6.500 4.252 3.711 4.790 . 0 0 "[ . 1 . 2]" 1
904 1 66 ILE HB 1 74 TYR QD 5.000 . 7.000 4.791 3.879 5.236 . 0 0 "[ . 1 . 2]" 1
905 1 66 ILE MD 1 74 TYR QD 3.500 . 7.000 3.124 2.210 3.929 . 0 0 "[ . 1 . 2]" 1
906 1 66 ILE MD 1 74 TYR QE 3.500 . 7.000 3.192 1.895 3.941 . 0 0 "[ . 1 . 2]" 1
907 1 66 ILE QG 1 74 TYR QE 5.000 . 8.000 4.873 3.151 5.699 . 0 0 "[ . 1 . 2]" 1
908 1 66 ILE MG 1 74 TYR QE 5.000 . 8.500 4.900 3.972 5.321 . 0 0 "[ . 1 . 2]" 1
909 1 69 LYS HA 1 70 HIS HD2 5.000 . 5.000 4.845 4.357 5.015 0.015 1 0 "[ . 1 . 2]" 1
910 1 69 LYS QB 1 70 HIS HD2 3.500 . 4.500 3.045 1.907 3.713 . 0 0 "[ . 1 . 2]" 1
911 1 69 LYS QD 1 70 HIS HD2 5.000 . 6.000 4.077 3.307 5.351 . 0 0 "[ . 1 . 2]" 1
912 1 69 LYS QG 1 70 HIS HD2 3.500 . 4.500 2.682 1.833 4.046 . 0 0 "[ . 1 . 2]" 1
913 1 70 HIS HA 1 70 HIS HD2 3.500 . 3.500 2.799 2.436 3.300 . 0 0 "[ . 1 . 2]" 1
914 1 70 HIS QB 1 70 HIS HD2 3.500 . 4.500 3.218 3.076 3.281 . 0 0 "[ . 1 . 2]" 1
915 1 74 TYR HA 1 74 TYR QD 2.900 . 4.900 2.547 2.001 3.139 . 0 0 "[ . 1 . 2]" 1
916 1 74 TYR QD 1 78 THR MG 3.500 . 7.000 3.068 1.955 3.582 . 0 0 "[ . 1 . 2]" 1
917 1 74 TYR QE 1 78 THR HB 5.000 . 7.000 4.878 3.773 5.626 . 0 0 "[ . 1 . 2]" 1
918 1 74 TYR QE 1 78 THR MG 3.500 . 7.000 2.887 1.920 3.494 . 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 70
_Distance_constraint_stats_list.Viol_count 386
_Distance_constraint_stats_list.Viol_total 85.766
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_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 5 VAL 0.077 0.013 19 0 "[ . 1 . 2]"
1 6 ALA 0.091 0.017 5 0 "[ . 1 . 2]"
1 7 ARG 0.351 0.026 18 0 "[ . 1 . 2]"
1 8 GLU 0.099 0.016 19 0 "[ . 1 . 2]"
1 9 PHE 0.098 0.013 19 0 "[ . 1 . 2]"
1 10 ARG 0.202 0.019 10 0 "[ . 1 . 2]"
1 11 HIS 0.424 0.026 18 0 "[ . 1 . 2]"
1 12 LYS 0.233 0.025 10 0 "[ . 1 . 2]"
1 13 VAL 0.034 0.010 4 0 "[ . 1 . 2]"
1 14 ASP 0.112 0.019 10 0 "[ . 1 . 2]"
1 15 PHE 0.073 0.013 14 0 "[ . 1 . 2]"
1 16 LEU 0.134 0.025 10 0 "[ . 1 . 2]"
1 17 ILE 0.013 0.006 6 0 "[ . 1 . 2]"
1 21 ALA 0.085 0.008 8 0 "[ . 1 . 2]"
1 22 GLU 0.076 0.019 12 0 "[ . 1 . 2]"
1 23 LYS 0.045 0.012 13 0 "[ . 1 . 2]"
1 24 ASP 0.035 0.008 15 0 "[ . 1 . 2]"
1 25 TYR 0.184 0.012 3 0 "[ . 1 . 2]"
1 26 LEU 0.173 0.019 12 0 "[ . 1 . 2]"
1 27 TYR 0.045 0.012 13 0 "[ . 1 . 2]"
1 28 ASP 0.048 0.008 15 0 "[ . 1 . 2]"
1 29 VAL 0.105 0.012 3 0 "[ . 1 . 2]"
1 30 LEU 0.236 0.014 18 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.013 0.006 14 0 "[ . 1 . 2]"
1 33 TYR 0.007 0.003 15 0 "[ . 1 . 2]"
1 34 HIS 0.139 0.014 18 0 "[ . 1 . 2]"
1 38 ASP 0.029 0.008 9 0 "[ . 1 . 2]"
1 39 VAL 0.006 0.006 3 0 "[ . 1 . 2]"
1 41 VAL 0.043 0.010 9 0 "[ . 1 . 2]"
1 42 LEU 0.039 0.008 17 0 "[ . 1 . 2]"
1 43 VAL 0.018 0.006 3 0 "[ . 1 . 2]"
1 44 GLY 0.004 0.002 18 0 "[ . 1 . 2]"
1 45 ASP 0.214 0.039 9 0 "[ . 1 . 2]"
1 46 LEU 0.093 0.013 20 0 "[ . 1 . 2]"
1 47 LYS 0.529 0.044 20 0 "[ . 1 . 2]"
1 48 LEU 0.004 0.002 18 0 "[ . 1 . 2]"
1 49 VAL 0.171 0.039 9 0 "[ . 1 . 2]"
1 50 ILE 0.083 0.013 20 0 "[ . 1 . 2]"
1 51 ASN 0.517 0.044 20 0 "[ . 1 . 2]"
1 59 PHE 0.682 0.054 8 0 "[ . 1 . 2]"
1 63 ARG 0.682 0.054 8 0 "[ . 1 . 2]"
1 69 LYS 0.532 0.048 3 0 "[ . 1 . 2]"
1 70 HIS 0.174 0.016 20 0 "[ . 1 . 2]"
1 71 GLN 0.306 0.028 3 0 "[ . 1 . 2]"
1 72 VAL 0.141 0.015 1 0 "[ . 1 . 2]"
1 73 GLU 0.536 0.048 3 0 "[ . 1 . 2]"
1 74 TYR 0.183 0.016 20 0 "[ . 1 . 2]"
1 75 ASP 0.306 0.028 3 0 "[ . 1 . 2]"
1 76 GLN 0.141 0.015 1 0 "[ . 1 . 2]"
1 77 LEU 0.003 0.002 2 0 "[ . 1 . 2]"
1 78 THR 0.009 0.009 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 VAL O 1 9 PHE N 3.300 2.200 3.300 2.644 2.583 2.734 . 0 0 "[ . 1 . 2]" 2
2 1 5 VAL O 1 9 PHE H 2.200 . 2.200 1.805 1.787 1.872 0.013 19 0 "[ . 1 . 2]" 2
3 1 6 ALA O 1 10 ARG N 3.300 2.200 3.300 3.092 2.911 3.175 . 0 0 "[ . 1 . 2]" 2
4 1 6 ALA O 1 10 ARG H 2.200 . 2.200 2.145 1.942 2.217 0.017 5 0 "[ . 1 . 2]" 2
5 1 7 ARG O 1 11 HIS N 3.300 2.200 3.300 3.170 3.137 3.188 . 0 0 "[ . 1 . 2]" 2
6 1 7 ARG O 1 11 HIS H 2.200 . 2.200 2.218 2.210 2.226 0.026 18 0 "[ . 1 . 2]" 2
7 1 8 GLU O 1 12 LYS N 3.300 2.200 3.300 2.793 2.664 3.079 . 0 0 "[ . 1 . 2]" 2
8 1 8 GLU O 1 12 LYS H 2.200 . 2.200 1.859 1.784 2.106 0.016 19 0 "[ . 1 . 2]" 2
9 1 9 PHE O 1 13 VAL N 3.300 2.200 3.300 2.864 2.732 3.129 . 0 0 "[ . 1 . 2]" 2
10 1 9 PHE O 1 13 VAL H 2.200 . 2.200 1.920 1.791 2.210 0.010 4 0 "[ . 1 . 2]" 2
11 1 10 ARG O 1 14 ASP N 3.300 2.200 3.300 3.142 3.092 3.180 . 0 0 "[ . 1 . 2]" 2
12 1 10 ARG O 1 14 ASP H 2.200 . 2.200 2.203 2.169 2.219 0.019 10 0 "[ . 1 . 2]" 2
13 1 11 HIS O 1 15 PHE N 3.300 2.200 3.300 2.996 2.703 3.175 . 0 0 "[ . 1 . 2]" 2
14 1 11 HIS O 1 15 PHE H 2.200 . 2.200 2.133 1.808 2.213 0.013 14 0 "[ . 1 . 2]" 2
15 1 12 LYS O 1 16 LEU N 3.300 2.200 3.300 2.781 2.626 2.996 . 0 0 "[ . 1 . 2]" 2
16 1 12 LYS O 1 16 LEU H 2.200 . 2.200 1.838 1.775 2.042 0.025 10 0 "[ . 1 . 2]" 2
17 1 13 VAL O 1 17 ILE N 3.300 2.200 3.300 2.652 2.572 2.837 . 0 0 "[ . 1 . 2]" 2
18 1 13 VAL O 1 17 ILE H 2.200 . 2.200 1.866 1.794 2.006 0.006 6 0 "[ . 1 . 2]" 2
19 1 21 ALA O 1 25 TYR N 3.300 2.200 3.300 3.044 2.943 3.089 . 0 0 "[ . 1 . 2]" 2
20 1 21 ALA O 1 25 TYR H 2.200 . 2.200 2.196 2.081 2.208 0.008 8 0 "[ . 1 . 2]" 2
21 1 22 GLU O 1 26 LEU N 3.300 2.200 3.300 3.092 2.923 3.178 . 0 0 "[ . 1 . 2]" 2
22 1 22 GLU O 1 26 LEU H 2.200 . 2.200 2.134 1.944 2.219 0.019 12 0 "[ . 1 . 2]" 2
23 1 23 LYS O 1 27 TYR N 3.300 2.200 3.300 3.012 2.753 3.168 . 0 0 "[ . 1 . 2]" 2
24 1 23 LYS O 1 27 TYR H 2.200 . 2.200 2.145 1.860 2.212 0.012 13 0 "[ . 1 . 2]" 2
25 1 24 ASP O 1 28 ASP N 3.300 2.200 3.300 3.013 2.876 3.106 . 0 0 "[ . 1 . 2]" 2
26 1 24 ASP O 1 28 ASP H 2.200 . 2.200 2.171 2.051 2.208 0.008 15 0 "[ . 1 . 2]" 2
27 1 25 TYR O 1 29 VAL N 3.300 2.200 3.300 3.121 2.999 3.168 . 0 0 "[ . 1 . 2]" 2
28 1 25 TYR O 1 29 VAL H 2.200 . 2.200 2.196 2.095 2.212 0.012 3 0 "[ . 1 . 2]" 2
29 1 26 LEU O 1 30 LEU N 3.300 2.200 3.300 3.144 3.058 3.180 . 0 0 "[ . 1 . 2]" 2
30 1 26 LEU O 1 30 LEU H 2.200 . 2.200 2.196 2.107 2.213 0.013 14 0 "[ . 1 . 2]" 2
31 1 27 TYR O 1 31 ARG N 3.300 2.200 3.300 2.964 2.796 3.108 . 0 0 "[ . 1 . 2]" 2
32 1 27 TYR O 1 31 ARG H 2.200 . 2.200 2.030 1.890 2.200 . 0 0 "[ . 1 . 2]" 2
33 1 28 ASP O 1 32 MET N 3.300 2.200 3.300 3.026 2.840 3.172 . 0 0 "[ . 1 . 2]" 2
34 1 28 ASP O 1 32 MET H 2.200 . 2.200 2.127 1.951 2.206 0.006 14 0 "[ . 1 . 2]" 2
35 1 29 VAL O 1 33 TYR N 3.300 2.200 3.300 2.699 2.578 2.933 . 0 0 "[ . 1 . 2]" 2
36 1 29 VAL O 1 33 TYR H 2.200 . 2.200 1.886 1.797 2.156 0.003 15 0 "[ . 1 . 2]" 2
37 1 30 LEU O 1 34 HIS N 3.300 2.200 3.300 3.051 2.991 3.096 . 0 0 "[ . 1 . 2]" 2
38 1 30 LEU O 1 34 HIS H 2.200 . 2.200 2.207 2.202 2.214 0.014 18 0 "[ . 1 . 2]" 2
39 1 38 ASP O 1 42 LEU N 3.300 2.200 3.300 3.076 2.908 3.136 . 0 0 "[ . 1 . 2]" 2
40 1 38 ASP O 1 42 LEU H 2.200 . 2.200 2.166 2.032 2.208 0.008 9 0 "[ . 1 . 2]" 2
41 1 39 VAL O 1 43 VAL N 3.300 2.200 3.300 2.969 2.830 3.160 . 0 0 "[ . 1 . 2]" 2
42 1 39 VAL O 1 43 VAL H 2.200 . 2.200 2.007 1.852 2.206 0.006 3 0 "[ . 1 . 2]" 2
43 1 41 VAL O 1 45 ASP N 3.300 2.200 3.300 3.131 2.929 3.183 . 0 0 "[ . 1 . 2]" 2
44 1 41 VAL O 1 45 ASP H 2.200 . 2.200 2.161 1.985 2.210 0.010 9 0 "[ . 1 . 2]" 2
45 1 42 LEU O 1 46 LEU N 3.300 2.200 3.300 2.916 2.724 3.134 . 0 0 "[ . 1 . 2]" 2
46 1 42 LEU O 1 46 LEU H 2.200 . 2.200 1.994 1.792 2.200 0.008 17 0 "[ . 1 . 2]" 2
47 1 43 VAL O 1 47 LYS N 3.300 2.200 3.300 2.916 2.724 3.145 . 0 0 "[ . 1 . 2]" 2
48 1 43 VAL O 1 47 LYS H 2.200 . 2.200 2.130 1.961 2.205 0.005 1 0 "[ . 1 . 2]" 2
49 1 44 GLY O 1 48 LEU N 3.300 2.200 3.300 3.082 2.922 3.166 . 0 0 "[ . 1 . 2]" 2
50 1 44 GLY O 1 48 LEU H 2.200 . 2.200 2.137 1.980 2.202 0.002 18 0 "[ . 1 . 2]" 2
51 1 45 ASP O 1 49 VAL N 3.300 2.200 3.300 3.127 3.017 3.181 . 0 0 "[ . 1 . 2]" 2
52 1 45 ASP O 1 49 VAL H 2.200 . 2.200 2.197 2.094 2.239 0.039 9 0 "[ . 1 . 2]" 2
53 1 46 LEU O 1 50 ILE N 3.300 2.200 3.300 2.758 2.579 3.135 . 0 0 "[ . 1 . 2]" 2
54 1 46 LEU O 1 50 ILE H 2.200 . 2.200 1.888 1.787 2.204 0.013 20 0 "[ . 1 . 2]" 2
55 1 47 LYS O 1 51 ASN N 3.300 2.200 3.300 2.568 2.482 2.804 . 0 0 "[ . 1 . 2]" 2
56 1 47 LYS O 1 51 ASN H 2.200 . 2.200 2.226 2.215 2.244 0.044 20 0 "[ . 1 . 2]" 2
57 1 59 PHE O 1 63 ARG N 3.300 2.200 3.300 3.103 3.038 3.157 . 0 0 "[ . 1 . 2]" 2
58 1 59 PHE O 1 63 ARG H 2.200 . 2.200 2.234 2.221 2.254 0.054 8 0 "[ . 1 . 2]" 2
59 1 69 LYS O 1 73 GLU N 3.300 2.200 3.300 3.202 3.188 3.223 . 0 0 "[ . 1 . 2]" 2
60 1 69 LYS O 1 73 GLU H 2.200 . 2.200 2.227 2.215 2.248 0.048 3 0 "[ . 1 . 2]" 2
61 1 70 HIS O 1 74 TYR N 3.300 2.200 3.300 2.660 2.588 2.711 . 0 0 "[ . 1 . 2]" 2
62 1 70 HIS O 1 74 TYR H 2.200 . 2.200 1.792 1.784 1.819 0.016 20 0 "[ . 1 . 2]" 2
63 1 71 GLN O 1 75 ASP N 3.300 2.200 3.300 3.095 3.070 3.127 . 0 0 "[ . 1 . 2]" 2
64 1 71 GLN O 1 75 ASP H 2.200 . 2.200 2.215 2.206 2.228 0.028 3 0 "[ . 1 . 2]" 2
65 1 72 VAL O 1 76 GLN N 3.300 2.200 3.300 3.043 2.992 3.102 . 0 0 "[ . 1 . 2]" 2
66 1 72 VAL O 1 76 GLN H 2.200 . 2.200 2.207 2.197 2.215 0.015 1 0 "[ . 1 . 2]" 2
67 1 73 GLU O 1 77 LEU N 3.300 2.200 3.300 2.922 2.719 3.016 . 0 0 "[ . 1 . 2]" 2
68 1 73 GLU O 1 77 LEU H 2.200 . 2.200 2.091 1.872 2.202 0.002 2 0 "[ . 1 . 2]" 2
69 1 74 TYR O 1 78 THR N 3.300 2.200 3.300 2.925 2.722 3.069 . 0 0 "[ . 1 . 2]" 2
70 1 74 TYR O 1 78 THR H 2.200 . 2.200 2.018 1.819 2.209 0.009 5 0 "[ . 1 . 2]" 2
stop_
save_
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