NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
509490 |
2yur   |
11159 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yur
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 28
_Distance_constraint_stats_list.Viol_count 264
_Distance_constraint_stats_list.Viol_total 46.566
_Distance_constraint_stats_list.Viol_max 0.052
_Distance_constraint_stats_list.Viol_rms 0.0076
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0088
_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 18 CYS 0.312 0.017 16 0 "[ . 1 . 2]"
1 21 CYS 0.377 0.018 4 0 "[ . 1 . 2]"
1 33 CYS 0.736 0.052 8 0 "[ . 1 . 2]"
1 34 CYS 0.956 0.052 8 0 "[ . 1 . 2]"
1 39 CYS 0.143 0.011 9 0 "[ . 1 . 2]"
1 42 CYS 0.504 0.017 5 0 "[ . 1 . 2]"
1 55 CYS 0.429 0.027 16 0 "[ . 1 . 2]"
1 58 CYS 0.146 0.015 19 0 "[ . 1 . 2]"
2 1 ZN 0.626 0.018 4 0 "[ . 1 . 2]"
3 1 ZN 0.428 0.027 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.216 2.186 2.269 0.004 11 0 "[ . 1 . 2]" 1
2 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.483 3.374 3.520 0.010 11 0 "[ . 1 . 2]" 1
3 1 21 CYS SG 2 1 ZN ZN . 2.190 2.390 2.301 2.217 2.391 0.001 8 0 "[ . 1 . 2]" 1
4 1 21 CYS CB 2 1 ZN ZN . 3.250 3.510 3.518 3.510 3.528 0.018 4 0 "[ . 1 . 2]" 1
5 1 39 CYS SG 2 1 ZN ZN . 2.190 2.390 2.374 2.317 2.401 0.011 10 0 "[ . 1 . 2]" 1
6 1 39 CYS CB 2 1 ZN ZN . 3.250 3.510 3.458 3.287 3.516 0.006 11 0 "[ . 1 . 2]" 1
7 1 42 CYS SG 2 1 ZN ZN . 2.190 2.390 2.183 2.175 2.191 0.015 5 0 "[ . 1 . 2]" 1
8 1 42 CYS CB 2 1 ZN ZN . 3.250 3.510 3.520 3.511 3.527 0.017 5 0 "[ . 1 . 2]" 1
9 1 18 CYS SG 1 21 CYS SG . 3.560 3.960 3.563 3.543 3.613 0.017 16 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 39 CYS SG . 3.560 3.960 3.565 3.549 3.698 0.011 9 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 42 CYS SG . 3.560 3.960 3.953 3.795 3.967 0.007 3 0 "[ . 1 . 2]" 1
12 1 21 CYS SG 1 39 CYS SG . 3.560 3.960 3.837 3.606 3.963 0.003 12 0 "[ . 1 . 2]" 1
13 1 21 CYS SG 1 42 CYS SG . 3.560 3.960 3.557 3.547 3.596 0.013 16 0 "[ . 1 . 2]" 1
14 1 39 CYS SG 1 42 CYS SG . 3.560 3.960 3.655 3.558 3.811 0.002 12 0 "[ . 1 . 2]" 1
15 1 33 CYS SG 3 1 ZN ZN . 2.190 2.390 2.289 2.176 2.396 0.014 12 0 "[ . 1 . 2]" 1
16 1 33 CYS CB 3 1 ZN ZN . 3.250 3.510 3.383 3.247 3.517 0.007 12 0 "[ . 1 . 2]" 1
17 1 34 CYS SG 3 1 ZN ZN . 2.190 2.390 2.259 2.177 2.392 0.013 6 0 "[ . 1 . 2]" 1
18 1 34 CYS CB 3 1 ZN ZN . 3.250 3.510 3.286 3.225 3.493 0.025 16 0 "[ . 1 . 2]" 1
19 1 55 CYS SG 3 1 ZN ZN . 2.190 2.390 2.356 2.273 2.405 0.015 6 0 "[ . 1 . 2]" 1
20 1 55 CYS CB 3 1 ZN ZN . 3.250 3.510 3.258 3.223 3.339 0.027 16 0 "[ . 1 . 2]" 1
21 1 58 CYS SG 3 1 ZN ZN . 2.190 2.390 2.261 2.186 2.391 0.004 7 0 "[ . 1 . 2]" 1
22 1 58 CYS CB 3 1 ZN ZN . 3.250 3.510 3.500 3.319 3.520 0.010 16 0 "[ . 1 . 2]" 1
23 1 33 CYS SG 1 34 CYS SG . 3.560 3.960 3.527 3.508 3.541 0.052 8 0 "[ . 1 . 2]" 1
24 1 33 CYS SG 1 55 CYS SG . 3.560 3.960 3.614 3.547 3.847 0.013 19 0 "[ . 1 . 2]" 1
25 1 33 CYS SG 1 58 CYS SG . 3.560 3.960 3.749 3.561 3.964 0.004 17 0 "[ . 1 . 2]" 1
26 1 34 CYS SG 1 55 CYS SG . 3.560 3.960 3.959 3.924 3.986 0.026 8 0 "[ . 1 . 2]" 1
27 1 34 CYS SG 1 58 CYS SG . 3.560 3.960 3.740 3.545 3.965 0.015 19 0 "[ . 1 . 2]" 1
28 1 55 CYS SG 1 58 CYS SG . 3.560 3.960 3.768 3.550 3.969 0.010 17 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 935
_Distance_constraint_stats_list.Viol_count 407
_Distance_constraint_stats_list.Viol_total 176.868
_Distance_constraint_stats_list.Viol_max 0.204
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0217
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.048 0.030 19 0 "[ . 1 . 2]"
1 9 ASP 0.073 0.039 7 0 "[ . 1 . 2]"
1 10 ASP 0.023 0.023 17 0 "[ . 1 . 2]"
1 11 PRO 0.032 0.023 17 0 "[ . 1 . 2]"
1 12 ILE 0.578 0.140 16 0 "[ . 1 . 2]"
1 13 PRO 0.306 0.121 19 0 "[ . 1 . 2]"
1 14 ASP 0.115 0.041 18 0 "[ . 1 . 2]"
1 15 GLU 0.352 0.143 18 0 "[ . 1 . 2]"
1 16 LEU 0.681 0.171 15 0 "[ . 1 . 2]"
1 17 LEU 0.390 0.074 1 0 "[ . 1 . 2]"
1 18 CYS 0.412 0.047 10 0 "[ . 1 . 2]"
1 19 LEU 0.316 0.033 7 0 "[ . 1 . 2]"
1 20 ILE 0.334 0.041 16 0 "[ . 1 . 2]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.200 0.071 15 0 "[ . 1 . 2]"
1 23 ASP 0.910 0.133 10 0 "[ . 1 . 2]"
1 24 ILE 0.053 0.016 12 0 "[ . 1 . 2]"
1 25 MET 0.161 0.031 14 0 "[ . 1 . 2]"
1 26 THR 0.055 0.015 11 0 "[ . 1 . 2]"
1 27 ASP 0.060 0.015 11 0 "[ . 1 . 2]"
1 28 ALA 0.186 0.056 12 0 "[ . 1 . 2]"
1 29 VAL 0.159 0.056 12 0 "[ . 1 . 2]"
1 30 VAL 0.178 0.067 19 0 "[ . 1 . 2]"
1 31 ILE 0.770 0.095 19 0 "[ . 1 . 2]"
1 32 PRO 0.027 0.014 14 0 "[ . 1 . 2]"
1 33 CYS 0.191 0.051 16 0 "[ . 1 . 2]"
1 34 CYS 0.091 0.043 19 0 "[ . 1 . 2]"
1 35 GLY 0.018 0.018 15 0 "[ . 1 . 2]"
1 36 ASN 0.278 0.082 8 0 "[ . 1 . 2]"
1 37 SER 0.314 0.079 4 0 "[ . 1 . 2]"
1 38 TYR 0.764 0.095 19 0 "[ . 1 . 2]"
1 39 CYS 0.005 0.005 11 0 "[ . 1 . 2]"
1 40 ASP 0.069 0.013 15 0 "[ . 1 . 2]"
1 41 GLU 0.015 0.013 20 0 "[ . 1 . 2]"
1 42 CYS 0.086 0.026 16 0 "[ . 1 . 2]"
1 43 ILE 0.522 0.071 4 0 "[ . 1 . 2]"
1 44 ARG 0.201 0.071 4 0 "[ . 1 . 2]"
1 45 THR 0.150 0.059 2 0 "[ . 1 . 2]"
1 46 ALA 0.191 0.059 2 0 "[ . 1 . 2]"
1 47 LEU 0.498 0.069 16 0 "[ . 1 . 2]"
1 48 LEU 0.233 0.044 19 0 "[ . 1 . 2]"
1 49 GLU 0.128 0.042 3 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASP 0.098 0.073 3 0 "[ . 1 . 2]"
1 52 GLU 0.237 0.073 3 0 "[ . 1 . 2]"
1 53 HIS 0.039 0.014 19 0 "[ . 1 . 2]"
1 54 THR 0.063 0.019 18 0 "[ . 1 . 2]"
1 55 CYS 0.115 0.034 12 0 "[ . 1 . 2]"
1 56 PRO 0.098 0.025 19 0 "[ . 1 . 2]"
1 57 THR 0.069 0.031 12 0 "[ . 1 . 2]"
1 58 CYS 0.077 0.043 19 0 "[ . 1 . 2]"
1 59 HIS 0.067 0.029 10 0 "[ . 1 . 2]"
1 60 GLN 1.023 0.144 18 0 "[ . 1 . 2]"
1 61 ASN 1.766 0.204 17 0 "[ . 1 . 2]"
1 62 ASP 0.859 0.204 17 0 "[ . 1 . 2]"
1 63 VAL 0.493 0.083 16 0 "[ . 1 . 2]"
1 64 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.060 0.018 12 0 "[ . 1 . 2]"
1 66 ASP 0.026 0.026 7 0 "[ . 1 . 2]"
1 67 ALA 0.055 0.026 7 0 "[ . 1 . 2]"
1 68 LEU 0.150 0.047 14 0 "[ . 1 . 2]"
1 69 SER 0.057 0.047 14 0 "[ . 1 . 2]"
1 70 GLY 0.014 0.007 12 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLY 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 17 LEU MD2 1 25 MET H . . 4.400 3.938 3.527 4.216 . 0 0 "[ . 1 . 2]" 2
2 1 24 ILE H 1 25 MET H . . 5.500 4.527 4.437 4.569 . 0 0 "[ . 1 . 2]" 2
3 1 17 LEU HA 1 25 MET H . . 4.150 3.706 3.305 3.988 . 0 0 "[ . 1 . 2]" 2
4 1 25 MET H 1 25 MET HG2 . . 3.990 3.832 3.411 4.006 0.016 3 0 "[ . 1 . 2]" 2
5 1 24 ILE HA 1 25 MET H . . 2.930 2.153 2.141 2.173 . 0 0 "[ . 1 . 2]" 2
6 1 25 MET H 1 25 MET HG3 . . 3.510 2.910 2.125 3.299 . 0 0 "[ . 1 . 2]" 2
7 1 25 MET H 1 25 MET HB2 . . 3.820 2.578 2.533 2.705 . 0 0 "[ . 1 . 2]" 2
8 1 25 MET H 1 25 MET HB3 . . 3.820 3.651 3.610 3.693 . 0 0 "[ . 1 . 2]" 2
9 1 24 ILE MG 1 25 MET H . . 3.490 2.549 2.167 2.746 . 0 0 "[ . 1 . 2]" 2
10 1 44 ARG H 1 44 ARG HG3 . . 5.090 4.420 3.929 4.604 . 0 0 "[ . 1 . 2]" 2
11 1 27 ASP H 1 40 ASP H . . 4.860 3.190 2.870 3.722 . 0 0 "[ . 1 . 2]" 2
12 1 39 CYS HA 1 40 ASP H . . 3.330 2.180 2.161 2.200 . 0 0 "[ . 1 . 2]" 2
13 1 39 CYS HB2 1 40 ASP H . . 4.460 4.023 3.936 4.123 . 0 0 "[ . 1 . 2]" 2
14 1 40 ASP H 1 40 ASP HB2 . . 3.630 2.998 2.706 3.525 . 0 0 "[ . 1 . 2]" 2
15 1 40 ASP H 1 40 ASP HB3 . . 3.660 2.307 2.180 2.466 . 0 0 "[ . 1 . 2]" 2
16 1 29 VAL MG1 1 40 ASP H . . 5.180 4.149 3.810 4.459 . 0 0 "[ . 1 . 2]" 2
17 1 58 CYS H 1 59 HIS H . . 4.550 4.237 2.031 4.579 0.029 10 0 "[ . 1 . 2]" 2
18 1 57 THR HB 1 58 CYS H . . 4.250 2.716 1.942 4.063 . 0 0 "[ . 1 . 2]" 2
19 1 11 PRO HA 1 12 ILE H . . 2.560 2.410 2.307 2.569 0.009 17 0 "[ . 1 . 2]" 2
20 1 12 ILE H 1 12 ILE HG12 . . 3.750 3.136 1.900 3.890 0.140 16 0 "[ . 1 . 2]" 2
21 1 12 ILE H 1 12 ILE HG13 . . 3.750 2.658 1.949 3.792 0.042 10 0 "[ . 1 . 2]" 2
22 1 12 ILE H 1 12 ILE MD . . 4.110 3.225 1.877 3.664 . 0 0 "[ . 1 . 2]" 2
23 1 11 PRO QG 1 12 ILE H . . 4.340 4.151 3.877 4.330 . 0 0 "[ . 1 . 2]" 2
24 1 59 HIS H 1 60 GLN H . . 4.420 3.937 2.939 4.387 . 0 0 "[ . 1 . 2]" 2
25 1 60 GLN H 1 60 GLN HB3 . . 3.770 2.891 2.713 3.118 . 0 0 "[ . 1 . 2]" 2
26 1 31 ILE MG 1 33 CYS H . . 4.290 3.211 3.133 3.292 . 0 0 "[ . 1 . 2]" 2
27 1 60 GLN H 1 60 GLN HB2 . . 3.770 2.591 2.143 2.889 . 0 0 "[ . 1 . 2]" 2
28 1 33 CYS H 1 35 GLY H . . 5.060 4.936 4.742 5.078 0.018 15 0 "[ . 1 . 2]" 2
29 1 32 PRO QD 1 33 CYS H . . 4.410 2.697 2.632 2.736 . 0 0 "[ . 1 . 2]" 2
30 1 18 CYS HB3 1 39 CYS H . . 4.460 2.876 2.613 3.165 . 0 0 "[ . 1 . 2]" 2
31 1 18 CYS HB2 1 39 CYS H . . 4.270 2.990 2.792 3.163 . 0 0 "[ . 1 . 2]" 2
32 1 38 TYR HB2 1 39 CYS H . . 4.430 3.836 3.488 4.212 . 0 0 "[ . 1 . 2]" 2
33 1 45 THR MG 1 46 ALA H . . 4.260 3.284 2.057 3.775 . 0 0 "[ . 1 . 2]" 2
34 1 46 ALA H 1 47 LEU H . . 3.960 3.037 2.747 3.263 . 0 0 "[ . 1 . 2]" 2
35 1 45 THR H 1 46 ALA H . . 3.750 2.692 2.367 2.913 . 0 0 "[ . 1 . 2]" 2
36 1 45 THR HB 1 46 ALA H . . 3.680 2.566 2.164 3.739 0.059 2 0 "[ . 1 . 2]" 2
37 1 43 ILE HA 1 46 ALA H . . 4.070 3.674 3.347 3.935 . 0 0 "[ . 1 . 2]" 2
38 1 46 ALA H 1 46 ALA MB . . 3.330 2.172 2.024 2.259 . 0 0 "[ . 1 . 2]" 2
39 1 9 ASP HA 1 10 ASP H . . 2.780 2.316 2.140 2.508 . 0 0 "[ . 1 . 2]" 2
40 1 15 GLU HA 1 16 LEU H . . 3.500 3.451 3.365 3.486 . 0 0 "[ . 1 . 2]" 2
41 1 16 LEU H 1 16 LEU QB . . 3.060 2.292 2.155 2.426 . 0 0 "[ . 1 . 2]" 2
42 1 16 LEU H 1 16 LEU MD1 . . 4.170 3.813 3.571 4.058 . 0 0 "[ . 1 . 2]" 2
43 1 16 LEU H 1 16 LEU MD2 . . 4.170 3.899 2.232 4.155 . 0 0 "[ . 1 . 2]" 2
44 1 60 GLN HG2 1 61 ASN H . . 4.290 3.306 1.875 3.754 . 0 0 "[ . 1 . 2]" 2
45 1 60 GLN HB2 1 61 ASN H . . 4.390 3.920 3.677 4.298 . 0 0 "[ . 1 . 2]" 2
46 1 60 GLN HB3 1 61 ASN H . . 4.390 3.138 2.575 3.715 . 0 0 "[ . 1 . 2]" 2
47 1 14 ASP HA 1 16 LEU H . . 3.690 3.620 3.484 3.702 0.012 12 0 "[ . 1 . 2]" 2
48 1 15 GLU H 1 16 LEU H . . 3.850 2.815 2.495 2.931 . 0 0 "[ . 1 . 2]" 2
49 1 13 PRO HB2 1 16 LEU H . . 4.020 3.395 3.001 3.659 . 0 0 "[ . 1 . 2]" 2
50 1 67 ALA H 1 68 LEU H . . 3.560 2.791 1.909 3.350 . 0 0 "[ . 1 . 2]" 2
51 1 66 ASP HB2 1 67 ALA H . . 4.490 3.623 2.509 4.516 0.026 7 0 "[ . 1 . 2]" 2
52 1 66 ASP HB3 1 67 ALA H . . 4.490 3.443 2.401 4.410 . 0 0 "[ . 1 . 2]" 2
53 1 67 ALA H 1 67 ALA MB . . 3.210 2.234 2.072 2.597 . 0 0 "[ . 1 . 2]" 2
54 1 60 GLN HA 1 61 ASN H . . 2.880 2.455 2.199 2.672 . 0 0 "[ . 1 . 2]" 2
55 1 61 ASN H 1 61 ASN HB3 . . 4.010 3.595 2.369 3.953 . 0 0 "[ . 1 . 2]" 2
56 1 27 ASP H 1 28 ALA H . . 3.890 3.300 2.722 3.719 . 0 0 "[ . 1 . 2]" 2
57 1 27 ASP HA 1 28 ALA H . . 3.130 2.467 2.272 2.789 . 0 0 "[ . 1 . 2]" 2
58 1 27 ASP QB 1 28 ALA H . . 4.030 3.906 3.795 4.029 . 0 0 "[ . 1 . 2]" 2
59 1 28 ALA H 1 28 ALA MB . . 2.930 2.123 2.041 2.254 . 0 0 "[ . 1 . 2]" 2
60 1 13 PRO HA 1 14 ASP H . . 2.560 2.378 2.257 2.554 . 0 0 "[ . 1 . 2]" 2
61 1 14 ASP H 1 14 ASP HB2 . . 3.550 2.908 2.205 3.591 0.041 18 0 "[ . 1 . 2]" 2
62 1 14 ASP H 1 14 ASP HB3 . . 3.550 2.625 2.221 3.564 0.014 15 0 "[ . 1 . 2]" 2
63 1 13 PRO HB3 1 14 ASP H . . 3.920 3.489 3.279 3.675 . 0 0 "[ . 1 . 2]" 2
64 1 13 PRO HB2 1 14 ASP H . . 3.930 2.677 2.248 3.018 . 0 0 "[ . 1 . 2]" 2
65 1 20 ILE H 1 38 TYR QD . . 4.080 3.663 2.731 3.985 . 0 0 "[ . 1 . 2]" 2
66 1 20 ILE H 1 20 ILE MD . . 4.420 4.043 3.591 4.226 . 0 0 "[ . 1 . 2]" 2
67 1 19 LEU H 1 20 ILE H . . 4.450 2.827 2.051 3.065 . 0 0 "[ . 1 . 2]" 2
68 1 20 ILE H 1 20 ILE HB . . 3.690 2.614 2.350 2.690 . 0 0 "[ . 1 . 2]" 2
69 1 29 VAL HA 1 30 VAL H . . 3.340 2.148 2.140 2.173 . 0 0 "[ . 1 . 2]" 2
70 1 29 VAL HB 1 30 VAL H . . 3.580 3.354 3.109 3.493 . 0 0 "[ . 1 . 2]" 2
71 1 30 VAL H 1 30 VAL HB . . 3.600 2.555 2.448 3.050 . 0 0 "[ . 1 . 2]" 2
72 1 29 VAL MG2 1 30 VAL H . . 4.820 4.102 3.947 4.158 . 0 0 "[ . 1 . 2]" 2
73 1 9 ASP H 1 9 ASP HB3 . . 3.930 3.196 2.440 3.725 . 0 0 "[ . 1 . 2]" 2
74 1 8 GLU HB3 1 9 ASP H . . 4.520 3.719 2.281 4.222 . 0 0 "[ . 1 . 2]" 2
75 1 8 GLU HB2 1 9 ASP H . . 4.520 3.777 2.455 4.550 0.030 19 0 "[ . 1 . 2]" 2
76 1 18 CYS H 1 23 ASP H . . 3.780 2.863 2.581 3.198 . 0 0 "[ . 1 . 2]" 2
77 1 8 GLU HA 1 9 ASP H . . 3.040 2.268 2.138 2.770 . 0 0 "[ . 1 . 2]" 2
78 1 9 ASP H 1 9 ASP HB2 . . 3.930 3.175 2.409 3.837 . 0 0 "[ . 1 . 2]" 2
79 1 21 CYS HB2 1 23 ASP H . . 5.440 4.749 4.509 4.888 . 0 0 "[ . 1 . 2]" 2
80 1 23 ASP H 1 23 ASP HB3 . . 3.630 3.032 2.630 3.763 0.133 10 0 "[ . 1 . 2]" 2
81 1 23 ASP H 1 23 ASP HB2 . . 3.630 2.962 2.618 3.374 . 0 0 "[ . 1 . 2]" 2
82 1 16 LEU H 1 17 LEU H . . 3.340 2.619 2.149 3.052 . 0 0 "[ . 1 . 2]" 2
83 1 17 LEU H 1 17 LEU HB2 . . 2.970 2.657 2.422 2.894 . 0 0 "[ . 1 . 2]" 2
84 1 17 LEU H 1 17 LEU HB3 . . 3.900 3.768 3.606 3.909 0.009 15 0 "[ . 1 . 2]" 2
85 1 17 LEU H 1 17 LEU MD1 . . 4.200 3.978 3.450 4.203 0.003 16 0 "[ . 1 . 2]" 2
86 1 17 LEU H 1 17 LEU MD2 . . 3.990 3.819 3.404 3.991 0.001 6 0 "[ . 1 . 2]" 2
87 1 8 GLU H 1 8 GLU QG . . 4.070 2.975 1.895 4.079 0.009 12 0 "[ . 1 . 2]" 2
88 1 7 GLY QA 1 8 GLU H . . 3.370 2.295 2.116 2.637 . 0 0 "[ . 1 . 2]" 2
89 1 23 ASP HA 1 24 ILE H . . 3.230 2.234 2.208 2.271 . 0 0 "[ . 1 . 2]" 2
90 1 23 ASP HB3 1 24 ILE H . . 4.230 3.622 2.801 4.072 . 0 0 "[ . 1 . 2]" 2
91 1 23 ASP HB2 1 24 ILE H . . 4.230 4.088 3.827 4.215 . 0 0 "[ . 1 . 2]" 2
92 1 24 ILE H 1 24 ILE HB . . 3.270 2.669 2.630 2.743 . 0 0 "[ . 1 . 2]" 2
93 1 24 ILE H 1 24 ILE HG13 . . 3.700 2.205 1.895 3.437 . 0 0 "[ . 1 . 2]" 2
94 1 24 ILE H 1 24 ILE MD . . 3.780 2.993 1.830 3.407 . 0 0 "[ . 1 . 2]" 2
95 1 20 ILE H 1 21 CYS H . . 3.570 2.612 2.479 2.988 . 0 0 "[ . 1 . 2]" 2
96 1 21 CYS H 1 23 ASP H . . 4.340 3.922 3.729 4.051 . 0 0 "[ . 1 . 2]" 2
97 1 21 CYS H 1 22 LYS HA . . 4.720 4.403 4.321 4.484 . 0 0 "[ . 1 . 2]" 2
98 1 21 CYS H 1 21 CYS HB2 . . 3.900 3.698 3.678 3.724 . 0 0 "[ . 1 . 2]" 2
99 1 20 ILE HB 1 21 CYS H . . 3.580 2.059 1.980 2.144 . 0 0 "[ . 1 . 2]" 2
100 1 26 THR H 1 27 ASP H . . 4.150 2.885 2.701 3.060 . 0 0 "[ . 1 . 2]" 2
101 1 26 THR H 1 26 THR HB . . 3.810 2.547 2.497 2.684 . 0 0 "[ . 1 . 2]" 2
102 1 21 CYS H 1 21 CYS HB3 . . 3.990 2.749 2.664 2.848 . 0 0 "[ . 1 . 2]" 2
103 1 18 CYS HB3 1 21 CYS H . . 4.940 4.788 4.715 4.847 . 0 0 "[ . 1 . 2]" 2
104 1 14 ASP HB2 1 15 GLU H . . 4.260 3.645 2.442 4.152 . 0 0 "[ . 1 . 2]" 2
105 1 14 ASP HB3 1 15 GLU H . . 4.260 3.147 2.222 3.742 . 0 0 "[ . 1 . 2]" 2
106 1 15 GLU H 1 15 GLU HG3 . . 4.400 3.638 2.815 4.211 . 0 0 "[ . 1 . 2]" 2
107 1 13 PRO HB2 1 15 GLU H . . 3.810 2.753 2.265 3.326 . 0 0 "[ . 1 . 2]" 2
108 1 15 GLU H 1 15 GLU HB3 . . 3.950 2.405 2.152 2.565 . 0 0 "[ . 1 . 2]" 2
109 1 63 VAL MG1 1 64 SER H . . 4.340 2.588 1.873 4.107 . 0 0 "[ . 1 . 2]" 2
110 1 63 VAL HA 1 64 SER H . . 3.080 2.201 2.139 2.357 . 0 0 "[ . 1 . 2]" 2
111 1 64 SER H 1 64 SER HB2 . . 3.740 2.656 2.242 3.664 . 0 0 "[ . 1 . 2]" 2
112 1 63 VAL MG2 1 64 SER H . . 4.340 3.744 2.600 4.162 . 0 0 "[ . 1 . 2]" 2
113 1 29 VAL H 1 38 TYR H . . 3.740 2.748 2.447 3.054 . 0 0 "[ . 1 . 2]" 2
114 1 37 SER H 1 38 TYR H . . 4.720 4.464 4.390 4.558 . 0 0 "[ . 1 . 2]" 2
115 1 38 TYR H 1 38 TYR QD . . 3.810 3.632 3.016 3.784 . 0 0 "[ . 1 . 2]" 2
116 1 37 SER HA 1 38 TYR H . . 3.140 2.168 2.140 2.325 . 0 0 "[ . 1 . 2]" 2
117 1 37 SER QB 1 38 TYR H . . 3.480 3.287 3.134 3.559 0.079 4 0 "[ . 1 . 2]" 2
118 1 38 TYR H 1 38 TYR HB2 . . 4.080 2.849 2.820 2.934 . 0 0 "[ . 1 . 2]" 2
119 1 29 VAL MG2 1 38 TYR H . . 4.060 2.568 1.961 3.366 . 0 0 "[ . 1 . 2]" 2
120 1 28 ALA HA 1 38 TYR H . . 4.580 3.915 3.405 4.138 . 0 0 "[ . 1 . 2]" 2
121 1 36 ASN H 1 36 ASN HB2 . . 3.990 2.867 2.754 3.090 . 0 0 "[ . 1 . 2]" 2
122 1 31 ILE H 1 36 ASN H . . 4.500 2.400 2.042 4.582 0.082 8 0 "[ . 1 . 2]" 2
123 1 36 ASN H 1 36 ASN HB3 . . 3.990 3.825 3.548 3.915 . 0 0 "[ . 1 . 2]" 2
124 1 31 ILE MG 1 36 ASN H . . 3.750 2.233 1.866 3.013 . 0 0 "[ . 1 . 2]" 2
125 1 28 ALA HA 1 29 VAL H . . 3.300 2.169 2.142 2.221 . 0 0 "[ . 1 . 2]" 2
126 1 49 GLU H 1 49 GLU HB3 . . 3.620 3.379 2.447 3.633 0.013 16 0 "[ . 1 . 2]" 2
127 1 48 LEU HB3 1 49 GLU H . . 4.250 3.204 2.765 3.526 . 0 0 "[ . 1 . 2]" 2
128 1 48 LEU HB2 1 49 GLU H . . 4.250 2.352 2.019 2.718 . 0 0 "[ . 1 . 2]" 2
129 1 49 GLU H 1 49 GLU HG3 . . 4.270 3.271 2.073 4.312 0.042 3 0 "[ . 1 . 2]" 2
130 1 49 GLU H 1 49 GLU HG2 . . 4.270 2.923 1.977 4.032 . 0 0 "[ . 1 . 2]" 2
131 1 43 ILE H 1 44 ARG H . . 3.720 2.630 2.395 2.893 . 0 0 "[ . 1 . 2]" 2
132 1 42 CYS H 1 43 ILE H . . 4.170 3.121 2.887 3.340 . 0 0 "[ . 1 . 2]" 2
133 1 38 TYR HB3 1 43 ILE H . . 4.370 2.771 2.381 3.226 . 0 0 "[ . 1 . 2]" 2
134 1 42 CYS HB2 1 43 ILE H . . 3.750 2.534 2.323 2.800 . 0 0 "[ . 1 . 2]" 2
135 1 43 ILE H 1 43 ILE HB . . 4.030 2.548 2.429 2.660 . 0 0 "[ . 1 . 2]" 2
136 1 43 ILE H 1 43 ILE MG . . 3.260 2.176 1.951 2.449 . 0 0 "[ . 1 . 2]" 2
137 1 42 CYS HB3 1 43 ILE H . . 4.060 2.820 2.445 3.357 . 0 0 "[ . 1 . 2]" 2
138 1 48 LEU H 1 48 LEU MD1 . . 4.400 3.055 1.920 3.890 . 0 0 "[ . 1 . 2]" 2
139 1 47 LEU H 1 48 LEU H . . 3.650 2.748 2.534 2.989 . 0 0 "[ . 1 . 2]" 2
140 1 48 LEU H 1 48 LEU HB3 . . 3.600 3.550 3.482 3.602 0.002 1 0 "[ . 1 . 2]" 2
141 1 48 LEU H 1 48 LEU HG . . 4.090 3.051 1.957 3.984 . 0 0 "[ . 1 . 2]" 2
142 1 48 LEU H 1 48 LEU HB2 . . 3.600 2.395 2.165 2.662 . 0 0 "[ . 1 . 2]" 2
143 1 47 LEU HB3 1 48 LEU H . . 4.190 3.543 3.274 3.814 . 0 0 "[ . 1 . 2]" 2
144 1 47 LEU H 1 47 LEU HB2 . . 3.730 2.469 2.306 2.629 . 0 0 "[ . 1 . 2]" 2
145 1 47 LEU H 1 47 LEU HG . . 3.700 2.296 2.008 2.593 . 0 0 "[ . 1 . 2]" 2
146 1 47 LEU H 1 47 LEU HB3 . . 4.090 3.583 3.551 3.599 . 0 0 "[ . 1 . 2]" 2
147 1 47 LEU H 1 47 LEU MD1 . . 4.240 3.516 3.252 3.725 . 0 0 "[ . 1 . 2]" 2
148 1 61 ASN HB3 1 62 ASP H . . 4.260 3.892 3.510 4.297 0.037 12 0 "[ . 1 . 2]" 2
149 1 34 CYS H 1 35 GLY HA3 . . 4.690 4.534 4.491 4.648 . 0 0 "[ . 1 . 2]" 2
150 1 20 ILE H 1 22 LYS H . . 4.190 2.584 2.445 3.288 . 0 0 "[ . 1 . 2]" 2
151 1 21 CYS H 1 22 LYS H . . 3.250 2.213 2.085 2.476 . 0 0 "[ . 1 . 2]" 2
152 1 22 LYS H 1 23 ASP H . . 3.440 2.846 2.744 3.128 . 0 0 "[ . 1 . 2]" 2
153 1 22 LYS H 1 22 LYS HA . . 2.780 2.279 2.273 2.310 . 0 0 "[ . 1 . 2]" 2
154 1 21 CYS HB2 1 22 LYS H . . 5.190 4.331 4.239 4.497 . 0 0 "[ . 1 . 2]" 2
155 1 22 LYS H 1 22 LYS HB2 . . 4.100 3.505 3.051 3.664 . 0 0 "[ . 1 . 2]" 2
156 1 22 LYS H 1 22 LYS HB3 . . 4.180 4.037 3.974 4.087 . 0 0 "[ . 1 . 2]" 2
157 1 22 LYS H 1 22 LYS HD2 . . 4.270 3.307 2.053 4.161 . 0 0 "[ . 1 . 2]" 2
158 1 22 LYS H 1 22 LYS HD3 . . 4.270 3.589 1.939 4.179 . 0 0 "[ . 1 . 2]" 2
159 1 22 LYS H 1 22 LYS HG3 . . 4.480 4.094 3.285 4.392 . 0 0 "[ . 1 . 2]" 2
160 1 20 ILE MG 1 22 LYS H . . 4.280 4.200 4.109 4.277 . 0 0 "[ . 1 . 2]" 2
161 1 31 ILE MG 1 34 CYS H . . 3.910 1.860 1.825 1.935 . 0 0 "[ . 1 . 2]" 2
162 1 68 LEU MD2 1 69 SER H . . 3.930 3.470 2.898 3.710 . 0 0 "[ . 1 . 2]" 2
163 1 30 VAL H 1 69 SER H . . 3.650 2.652 1.815 3.347 . 0 0 "[ . 1 . 2]" 2
164 1 68 LEU HA 1 69 SER H . . 2.840 2.268 2.139 2.407 . 0 0 "[ . 1 . 2]" 2
165 1 69 SER H 1 69 SER QB . . 3.400 2.313 2.145 2.715 . 0 0 "[ . 1 . 2]" 2
166 1 29 VAL HB 1 69 SER H . . 4.010 3.319 2.613 3.889 . 0 0 "[ . 1 . 2]" 2
167 1 68 LEU HB3 1 69 SER H . . 4.210 2.803 2.396 3.443 . 0 0 "[ . 1 . 2]" 2
168 1 29 VAL MG1 1 69 SER H . . 4.170 3.656 2.891 4.115 . 0 0 "[ . 1 . 2]" 2
169 1 51 ASP HB3 1 52 GLU H . . 4.710 3.281 2.449 3.890 . 0 0 "[ . 1 . 2]" 2
170 1 52 GLU H 1 52 GLU HB2 . . 3.880 2.840 2.287 3.793 . 0 0 "[ . 1 . 2]" 2
171 1 52 GLU H 1 52 GLU HB3 . . 3.880 3.492 2.556 3.848 . 0 0 "[ . 1 . 2]" 2
172 1 52 GLU H 1 53 HIS HA . . 5.250 4.978 4.502 5.256 0.006 16 0 "[ . 1 . 2]" 2
173 1 66 ASP H 1 66 ASP HB2 . . 4.200 2.753 2.187 3.718 . 0 0 "[ . 1 . 2]" 2
174 1 66 ASP H 1 66 ASP HB3 . . 4.200 2.997 2.332 3.686 . 0 0 "[ . 1 . 2]" 2
175 1 30 VAL H 1 31 ILE H . . 4.780 4.406 4.289 4.562 . 0 0 "[ . 1 . 2]" 2
176 1 31 ILE H 1 38 TYR QE . . 4.940 4.862 4.323 4.971 0.031 15 0 "[ . 1 . 2]" 2
177 1 31 ILE H 1 31 ILE HB . . 3.640 2.393 2.307 2.573 . 0 0 "[ . 1 . 2]" 2
178 1 31 ILE H 1 31 ILE MG . . 3.450 2.460 2.376 2.544 . 0 0 "[ . 1 . 2]" 2
179 1 30 VAL MG1 1 31 ILE H . . 4.460 2.889 2.173 4.168 . 0 0 "[ . 1 . 2]" 2
180 1 30 VAL MG2 1 31 ILE H . . 4.460 3.906 2.590 4.118 . 0 0 "[ . 1 . 2]" 2
181 1 31 ILE H 1 31 ILE HG12 . . 4.870 4.614 4.584 4.661 . 0 0 "[ . 1 . 2]" 2
182 1 53 HIS HA 1 54 THR H . . 3.380 2.516 2.166 2.807 . 0 0 "[ . 1 . 2]" 2
183 1 47 LEU HA 1 54 THR H . . 4.520 3.885 2.568 4.532 0.012 14 0 "[ . 1 . 2]" 2
184 1 50 SER HB3 1 54 THR H . . 4.710 3.351 1.905 4.512 . 0 0 "[ . 1 . 2]" 2
185 1 54 THR H 1 54 THR HB . . 3.310 2.681 2.496 3.019 . 0 0 "[ . 1 . 2]" 2
186 1 54 THR H 1 54 THR MG . . 4.150 3.845 3.767 3.978 . 0 0 "[ . 1 . 2]" 2
187 1 55 CYS H 1 55 CYS HB2 . . 3.620 2.405 2.146 2.704 . 0 0 "[ . 1 . 2]" 2
188 1 55 CYS H 1 55 CYS HB3 . . 3.620 2.737 2.411 3.152 . 0 0 "[ . 1 . 2]" 2
189 1 40 ASP HB2 1 41 GLU H . . 4.320 4.170 4.006 4.283 . 0 0 "[ . 1 . 2]" 2
190 1 40 ASP HB3 1 41 GLU H . . 3.820 3.176 2.827 3.799 . 0 0 "[ . 1 . 2]" 2
191 1 41 GLU H 1 41 GLU QG . . 4.300 2.615 1.887 4.118 . 0 0 "[ . 1 . 2]" 2
192 1 41 GLU H 1 41 GLU HB2 . . 3.700 3.328 2.422 3.667 . 0 0 "[ . 1 . 2]" 2
193 1 36 ASN HA 1 37 SER H . . 2.940 2.344 2.218 2.461 . 0 0 "[ . 1 . 2]" 2
194 1 37 SER H 1 37 SER QB . . 3.280 2.530 2.249 2.826 . 0 0 "[ . 1 . 2]" 2
195 1 36 ASN HB2 1 37 SER H . . 3.930 3.826 3.565 3.948 0.018 13 0 "[ . 1 . 2]" 2
196 1 36 ASN HB3 1 37 SER H . . 3.930 2.626 2.301 3.028 . 0 0 "[ . 1 . 2]" 2
197 1 19 LEU MD1 1 37 SER H . . 3.920 3.400 2.582 3.924 0.004 10 0 "[ . 1 . 2]" 2
198 1 49 GLU H 1 50 SER H . . 3.420 3.076 2.683 3.293 . 0 0 "[ . 1 . 2]" 2
199 1 50 SER H 1 50 SER HB2 . . 3.830 2.841 2.220 3.721 . 0 0 "[ . 1 . 2]" 2
200 1 50 SER H 1 50 SER HB3 . . 3.830 2.982 2.322 3.652 . 0 0 "[ . 1 . 2]" 2
201 1 45 THR H 1 45 THR HB . . 3.360 2.547 2.245 2.702 . 0 0 "[ . 1 . 2]" 2
202 1 44 ARG HB2 1 45 THR H . . 4.090 3.688 3.446 4.107 0.017 12 0 "[ . 1 . 2]" 2
203 1 44 ARG HB3 1 45 THR H . . 4.090 2.363 2.032 3.562 . 0 0 "[ . 1 . 2]" 2
204 1 45 THR H 1 45 THR MG . . 3.890 3.663 2.675 3.800 . 0 0 "[ . 1 . 2]" 2
205 1 41 GLU HA 1 45 THR H . . 4.230 3.733 3.333 4.097 . 0 0 "[ . 1 . 2]" 2
206 1 34 CYS H 1 35 GLY H . . 3.300 2.184 2.085 2.342 . 0 0 "[ . 1 . 2]" 2
207 1 35 GLY H 1 36 ASN H . . 3.880 3.112 2.298 3.399 . 0 0 "[ . 1 . 2]" 2
208 1 31 ILE MG 1 35 GLY H . . 4.080 1.794 1.739 1.987 . 0 0 "[ . 1 . 2]" 2
209 1 44 ARG H 1 45 THR H . . 3.900 2.830 2.544 3.100 . 0 0 "[ . 1 . 2]" 2
210 1 18 CYS H 1 25 MET H . . 4.920 4.639 4.417 4.905 . 0 0 "[ . 1 . 2]" 2
211 1 17 LEU HA 1 18 CYS H . . 2.960 2.328 2.219 2.516 . 0 0 "[ . 1 . 2]" 2
212 1 18 CYS H 1 24 ILE HA . . 4.700 4.587 4.477 4.710 0.010 14 0 "[ . 1 . 2]" 2
213 1 18 CYS H 1 18 CYS HB3 . . 3.230 2.543 2.412 2.735 . 0 0 "[ . 1 . 2]" 2
214 1 18 CYS H 1 25 MET HG2 . . 4.220 4.059 3.632 4.242 0.022 11 0 "[ . 1 . 2]" 2
215 1 18 CYS H 1 25 MET HG3 . . 4.050 3.372 3.029 3.609 . 0 0 "[ . 1 . 2]" 2
216 1 17 LEU HB2 1 18 CYS H . . 4.050 3.736 3.367 4.001 . 0 0 "[ . 1 . 2]" 2
217 1 17 LEU HB3 1 18 CYS H . . 3.700 2.611 2.183 2.925 . 0 0 "[ . 1 . 2]" 2
218 1 17 LEU MD2 1 18 CYS H . . 3.800 3.411 3.137 3.723 . 0 0 "[ . 1 . 2]" 2
219 1 53 HIS H 1 53 HIS HD2 . . 4.390 3.067 2.080 4.196 . 0 0 "[ . 1 . 2]" 2
220 1 31 ILE H 1 37 SER HA . . 5.030 4.601 3.191 5.048 0.018 3 0 "[ . 1 . 2]" 2
221 1 31 ILE H 1 38 TYR QD . . 4.760 4.414 4.154 4.657 . 0 0 "[ . 1 . 2]" 2
222 1 34 CYS H 1 36 ASN H . . 5.250 5.003 4.352 5.274 0.024 15 0 "[ . 1 . 2]" 2
223 1 32 PRO HA 1 35 GLY H . . 5.270 5.021 4.723 5.249 . 0 0 "[ . 1 . 2]" 2
224 1 36 ASN H 1 37 SER H . . 4.650 4.397 4.338 4.626 . 0 0 "[ . 1 . 2]" 2
225 1 39 CYS H 1 42 CYS HB2 . . 4.590 2.056 1.866 2.301 . 0 0 "[ . 1 . 2]" 2
226 1 40 ASP H 1 41 GLU H . . 4.550 2.956 2.880 3.006 . 0 0 "[ . 1 . 2]" 2
227 1 39 CYS HB2 1 41 GLU H . . 4.580 3.112 3.019 3.266 . 0 0 "[ . 1 . 2]" 2
228 1 39 CYS HA 1 41 GLU H . . 5.170 3.905 3.767 4.039 . 0 0 "[ . 1 . 2]" 2
229 1 38 TYR HB2 1 43 ILE H . . 4.420 3.397 2.797 4.027 . 0 0 "[ . 1 . 2]" 2
230 1 20 ILE MD 1 43 ILE H . . 4.610 3.713 3.376 4.130 . 0 0 "[ . 1 . 2]" 2
231 1 44 ARG H 1 44 ARG HG2 . . 5.090 4.402 2.993 4.585 . 0 0 "[ . 1 . 2]" 2
232 1 44 ARG H 1 46 ALA MB . . 5.480 4.545 4.256 4.887 . 0 0 "[ . 1 . 2]" 2
233 1 46 ALA H 1 48 LEU H . . 4.500 4.336 4.059 4.508 0.008 14 0 "[ . 1 . 2]" 2
234 1 49 GLU H 1 49 GLU HB2 . . 3.620 2.610 2.166 3.613 . 0 0 "[ . 1 . 2]" 2
235 1 54 THR H 1 55 CYS H . . 4.610 4.271 3.913 4.601 . 0 0 "[ . 1 . 2]" 2
236 1 47 LEU MD2 1 55 CYS H . . 4.720 4.231 3.084 4.754 0.034 12 0 "[ . 1 . 2]" 2
237 1 55 CYS H 1 60 GLN H . . 4.700 2.876 2.094 3.488 . 0 0 "[ . 1 . 2]" 2
238 1 56 PRO HG2 1 57 THR H . . 4.670 3.195 1.933 3.560 . 0 0 "[ . 1 . 2]" 2
239 1 61 ASN H 1 62 ASP H . . 4.690 3.409 1.893 4.460 . 0 0 "[ . 1 . 2]" 2
240 1 53 HIS HB3 1 63 VAL H . . 4.690 2.860 2.060 3.956 . 0 0 "[ . 1 . 2]" 2
241 1 67 ALA H 1 68 LEU HG . . 4.600 3.809 2.656 4.281 . 0 0 "[ . 1 . 2]" 2
242 1 68 LEU H 1 69 SER H . . 4.810 4.572 4.213 4.645 . 0 0 "[ . 1 . 2]" 2
243 1 14 ASP H 1 15 GLU H . . 3.490 2.606 2.160 2.753 . 0 0 "[ . 1 . 2]" 2
244 1 17 LEU H 1 18 CYS H . . 4.630 4.470 4.374 4.607 . 0 0 "[ . 1 . 2]" 2
245 1 18 CYS H 1 22 LYS H . . 4.390 4.092 3.763 4.341 . 0 0 "[ . 1 . 2]" 2
246 1 20 ILE MD 1 21 CYS H . . 4.730 4.054 3.918 4.139 . 0 0 "[ . 1 . 2]" 2
247 1 15 GLU H 1 15 GLU HB2 . . 3.950 3.559 3.061 3.612 . 0 0 "[ . 1 . 2]" 2
248 1 17 LEU H 1 17 LEU HG . . 3.210 2.930 2.359 3.219 0.009 5 0 "[ . 1 . 2]" 2
249 1 17 LEU MD2 1 23 ASP H . . 4.650 3.587 3.244 4.105 . 0 0 "[ . 1 . 2]" 2
250 1 28 ALA H 1 29 VAL H . . 4.790 4.505 4.310 4.602 . 0 0 "[ . 1 . 2]" 2
251 1 33 CYS H 1 34 CYS H . . 3.840 3.149 3.058 3.193 . 0 0 "[ . 1 . 2]" 2
252 1 36 ASN QD 1 38 TYR HH . . 3.510 2.813 1.887 3.491 . 0 0 "[ . 1 . 2]" 2
253 1 27 ASP QB 1 40 ASP H . . 4.200 3.473 3.015 3.798 . 0 0 "[ . 1 . 2]" 2
254 1 41 GLU H 1 42 CYS H . . 4.670 2.344 2.229 2.403 . 0 0 "[ . 1 . 2]" 2
255 1 45 THR MG 1 49 GLU H . . 4.660 3.139 2.434 4.475 . 0 0 "[ . 1 . 2]" 2
256 1 47 LEU H 1 49 GLU H . . 4.720 4.495 4.208 4.722 0.002 17 0 "[ . 1 . 2]" 2
257 1 51 ASP H 1 52 GLU H . . 4.690 2.895 2.197 3.227 . 0 0 "[ . 1 . 2]" 2
258 1 65 PRO HG2 1 66 ASP H . . 4.630 2.976 2.111 3.567 . 0 0 "[ . 1 . 2]" 2
259 1 54 THR HA 1 55 CYS H . . 3.290 2.171 2.142 2.229 . 0 0 "[ . 1 . 2]" 2
260 1 60 GLN HG3 1 61 ASN H . . 4.290 2.588 1.850 4.155 . 0 0 "[ . 1 . 2]" 2
261 1 68 LEU HB2 1 69 SER H . . 4.210 3.827 3.623 4.257 0.047 14 0 "[ . 1 . 2]" 2
262 1 50 SER HB2 1 54 THR H . . 4.710 3.373 1.881 4.660 . 0 0 "[ . 1 . 2]" 2
263 1 60 GLN H 1 61 ASN H . . 4.870 4.506 4.428 4.608 . 0 0 "[ . 1 . 2]" 2
264 1 53 HIS HB2 1 62 ASP H . . 5.500 3.721 2.471 5.488 . 0 0 "[ . 1 . 2]" 2
265 1 31 ILE MD 1 38 TYR QD . . 4.700 4.054 3.493 4.400 . 0 0 "[ . 1 . 2]" 2
266 1 34 CYS H 1 35 GLY HA2 . . 4.690 4.026 4.005 4.053 . 0 0 "[ . 1 . 2]" 2
267 1 31 ILE MD 1 38 TYR QE . . 4.430 3.849 3.365 4.163 . 0 0 "[ . 1 . 2]" 2
268 1 31 ILE MD 1 55 CYS HA . . 4.350 3.796 3.345 4.065 . 0 0 "[ . 1 . 2]" 2
269 1 31 ILE MD 1 55 CYS HB3 . . 4.620 4.320 3.770 4.640 0.020 6 0 "[ . 1 . 2]" 2
270 1 31 ILE HB 1 31 ILE MD . . 3.640 2.351 2.186 2.430 . 0 0 "[ . 1 . 2]" 2
271 1 31 ILE MD 1 31 ILE MG . . 3.280 2.005 1.891 2.280 . 0 0 "[ . 1 . 2]" 2
272 1 31 ILE MD 1 43 ILE MD . . 3.550 2.051 1.802 2.676 . 0 0 "[ . 1 . 2]" 2
273 1 31 ILE H 1 31 ILE MD . . 4.740 4.339 4.241 4.463 . 0 0 "[ . 1 . 2]" 2
274 1 31 ILE HA 1 31 ILE MD . . 4.240 3.660 3.609 3.689 . 0 0 "[ . 1 . 2]" 2
275 1 31 ILE MD 1 32 PRO QD . . 4.190 3.394 3.353 3.480 . 0 0 "[ . 1 . 2]" 2
276 1 31 ILE MD 1 63 VAL HB . . 4.240 3.522 2.782 4.079 . 0 0 "[ . 1 . 2]" 2
277 1 20 ILE MD 1 38 TYR QD . . 3.670 2.104 1.935 2.844 . 0 0 "[ . 1 . 2]" 2
278 1 20 ILE MD 1 38 TYR QE . . 4.190 3.149 2.780 3.522 . 0 0 "[ . 1 . 2]" 2
279 1 20 ILE HA 1 20 ILE MD . . 4.000 3.816 3.771 3.835 . 0 0 "[ . 1 . 2]" 2
280 1 20 ILE MD 1 43 ILE HA . . 3.570 3.365 3.071 3.578 0.008 15 0 "[ . 1 . 2]" 2
281 1 20 ILE HB 1 20 ILE MD . . 3.650 2.371 2.211 2.425 . 0 0 "[ . 1 . 2]" 2
282 1 20 ILE MD 1 56 PRO HG3 . . 3.910 3.247 2.622 3.874 . 0 0 "[ . 1 . 2]" 2
283 1 20 ILE MD 1 38 TYR HB3 . . 4.510 2.516 2.243 3.144 . 0 0 "[ . 1 . 2]" 2
284 1 43 ILE H 1 43 ILE MD . . 4.780 4.057 3.920 4.191 . 0 0 "[ . 1 . 2]" 2
285 1 31 ILE HG13 1 43 ILE MD . . 4.330 3.734 3.389 4.256 . 0 0 "[ . 1 . 2]" 2
286 1 20 ILE MD 1 43 ILE MD . . 3.680 3.678 3.594 3.721 0.041 16 0 "[ . 1 . 2]" 2
287 1 43 ILE HA 1 43 ILE MD . . 3.370 2.126 1.963 2.327 . 0 0 "[ . 1 . 2]" 2
288 1 43 ILE MD 1 56 PRO HD2 . . 4.100 3.489 3.237 3.844 . 0 0 "[ . 1 . 2]" 2
289 1 43 ILE MD 1 55 CYS HA . . 4.420 4.161 3.570 4.431 0.011 12 0 "[ . 1 . 2]" 2
290 1 43 ILE MD 1 47 LEU HG . . 3.790 3.046 2.278 3.691 . 0 0 "[ . 1 . 2]" 2
291 1 43 ILE MD 1 47 LEU MD1 . . 3.840 3.353 2.791 3.830 . 0 0 "[ . 1 . 2]" 2
292 1 38 TYR HB3 1 43 ILE HG12 . . 5.500 5.183 4.890 5.553 0.053 10 0 "[ . 1 . 2]" 2
293 1 38 TYR HB3 1 39 CYS H . . 4.220 2.730 2.447 3.319 . 0 0 "[ . 1 . 2]" 2
294 1 38 TYR HB3 1 42 CYS HB2 . . 4.470 2.831 2.663 3.020 . 0 0 "[ . 1 . 2]" 2
295 1 38 TYR HB3 1 43 ILE HB . . 4.160 2.715 2.400 3.113 . 0 0 "[ . 1 . 2]" 2
296 1 38 TYR HB3 1 43 ILE MG . . 3.740 3.654 3.493 3.753 0.013 12 0 "[ . 1 . 2]" 2
297 1 38 TYR HB2 1 43 ILE HB . . 4.190 2.019 1.967 2.309 . 0 0 "[ . 1 . 2]" 2
298 1 29 VAL MG2 1 38 TYR HB2 . . 3.950 2.875 2.159 3.438 . 0 0 "[ . 1 . 2]" 2
299 1 38 TYR HB2 1 43 ILE MG . . 4.180 3.110 2.658 3.503 . 0 0 "[ . 1 . 2]" 2
300 1 38 TYR HB2 1 43 ILE HG12 . . 4.700 4.039 3.940 4.164 . 0 0 "[ . 1 . 2]" 2
301 1 24 ILE HA 1 24 ILE MD . . 4.040 3.592 1.966 3.888 . 0 0 "[ . 1 . 2]" 2
302 1 24 ILE HB 1 24 ILE MD . . 3.370 2.326 2.085 3.227 . 0 0 "[ . 1 . 2]" 2
303 1 12 ILE HA 1 12 ILE MD . . 3.980 3.255 1.990 3.878 . 0 0 "[ . 1 . 2]" 2
304 1 12 ILE MD 1 13 PRO HD2 . . 4.620 4.033 2.487 4.741 0.121 19 0 "[ . 1 . 2]" 2
305 1 12 ILE HB 1 12 ILE MD . . 3.380 2.569 2.149 3.224 . 0 0 "[ . 1 . 2]" 2
306 1 17 LEU HB3 1 17 LEU MD1 . . 3.560 2.438 2.312 2.587 . 0 0 "[ . 1 . 2]" 2
307 1 19 LEU H 1 19 LEU HB2 . . 4.090 2.638 2.524 2.692 . 0 0 "[ . 1 . 2]" 2
308 1 19 LEU HB3 1 38 TYR QD . . 5.500 5.445 5.262 5.533 0.033 7 0 "[ . 1 . 2]" 2
309 1 19 LEU HB3 1 38 TYR QE . . 3.930 3.677 3.532 3.845 . 0 0 "[ . 1 . 2]" 2
310 1 29 VAL MG2 1 40 ASP HB2 . . 4.770 4.281 3.726 4.779 0.009 20 0 "[ . 1 . 2]" 2
311 1 19 LEU HA 1 22 LYS QE . . 4.590 3.921 2.580 4.592 0.002 13 0 "[ . 1 . 2]" 2
312 1 27 ASP H 1 40 ASP HB3 . . 4.230 3.622 2.638 4.192 . 0 0 "[ . 1 . 2]" 2
313 1 47 LEU HB2 1 48 LEU H . . 4.400 2.559 2.347 2.783 . 0 0 "[ . 1 . 2]" 2
314 1 44 ARG HA 1 47 LEU HB2 . . 4.390 3.798 3.280 4.233 . 0 0 "[ . 1 . 2]" 2
315 1 47 LEU HB2 1 47 LEU MD1 . . 3.620 2.212 2.085 2.357 . 0 0 "[ . 1 . 2]" 2
316 1 27 ASP H 1 40 ASP HB2 . . 5.000 4.188 3.440 5.005 0.005 11 0 "[ . 1 . 2]" 2
317 1 16 LEU QB 1 17 LEU H . . 4.090 3.407 2.636 3.823 . 0 0 "[ . 1 . 2]" 2
318 1 13 PRO HD3 1 16 LEU QB . . 4.640 4.525 4.315 4.641 0.001 5 0 "[ . 1 . 2]" 2
319 1 45 THR HA 1 48 LEU HB2 . . 4.480 2.625 2.120 2.939 . 0 0 "[ . 1 . 2]" 2
320 1 36 ASN HB2 1 38 TYR HH . . 4.770 2.975 2.484 4.335 . 0 0 "[ . 1 . 2]" 2
321 1 36 ASN HB3 1 38 TYR HH . . 4.770 2.758 2.106 3.615 . 0 0 "[ . 1 . 2]" 2
322 1 51 ASP HB2 1 52 GLU H . . 4.710 2.853 2.102 3.886 . 0 0 "[ . 1 . 2]" 2
323 1 61 ASN HB2 1 62 ASP H . . 4.260 3.358 2.049 4.285 0.025 20 0 "[ . 1 . 2]" 2
324 1 61 ASN H 1 61 ASN HB2 . . 4.010 3.186 2.497 3.989 . 0 0 "[ . 1 . 2]" 2
325 1 20 ILE HB 1 21 CYS HB3 . . 4.980 4.015 3.912 4.137 . 0 0 "[ . 1 . 2]" 2
326 1 54 THR HB 1 55 CYS H . . 4.800 4.238 3.922 4.457 . 0 0 "[ . 1 . 2]" 2
327 1 12 ILE H 1 12 ILE HB . . 3.230 2.560 2.476 2.684 . 0 0 "[ . 1 . 2]" 2
328 1 12 ILE HB 1 13 PRO HD3 . . 5.260 5.001 4.930 5.053 . 0 0 "[ . 1 . 2]" 2
329 1 12 ILE HB 1 13 PRO HD2 . . 4.410 4.185 4.036 4.321 . 0 0 "[ . 1 . 2]" 2
330 1 24 ILE HB 1 25 MET H . . 4.320 4.190 4.108 4.308 . 0 0 "[ . 1 . 2]" 2
331 1 23 ASP HA 1 24 ILE HB . . 5.160 4.826 4.783 4.902 . 0 0 "[ . 1 . 2]" 2
332 1 26 THR HB 1 27 ASP H . . 4.500 3.949 3.849 4.083 . 0 0 "[ . 1 . 2]" 2
333 1 57 THR H 1 57 THR HB . . 3.810 2.840 2.570 3.365 . 0 0 "[ . 1 . 2]" 2
334 1 52 GLU H 1 52 GLU QG . . 4.070 3.104 1.870 4.066 . 0 0 "[ . 1 . 2]" 2
335 1 52 GLU HA 1 52 GLU QG . . 3.380 2.667 2.171 3.434 0.054 18 0 "[ . 1 . 2]" 2
336 1 41 GLU QG 1 42 CYS HA . . 4.550 3.546 3.070 4.344 . 0 0 "[ . 1 . 2]" 2
337 1 15 GLU H 1 15 GLU HG2 . . 4.400 2.574 2.230 4.434 0.034 20 0 "[ . 1 . 2]" 2
338 1 15 GLU HG2 1 16 LEU HG . . 4.670 3.533 2.486 4.670 . 12 0 "[ . 1 . 2]" 2
339 1 25 MET HB2 1 28 ALA HA . . 4.820 3.052 2.547 3.613 . 0 0 "[ . 1 . 2]" 2
340 1 25 MET HB3 1 28 ALA HA . . 4.820 2.538 2.019 2.958 . 0 0 "[ . 1 . 2]" 2
341 1 25 MET HB3 1 28 ALA MB . . 4.220 3.395 2.109 4.126 . 0 0 "[ . 1 . 2]" 2
342 1 45 THR HA 1 48 LEU H . . 4.390 3.304 2.987 3.723 . 0 0 "[ . 1 . 2]" 2
343 1 45 THR HA 1 48 LEU HB3 . . 4.480 4.182 3.656 4.448 . 0 0 "[ . 1 . 2]" 2
344 1 19 LEU MD1 1 37 SER QB . . 5.490 4.723 4.087 5.358 . 0 0 "[ . 1 . 2]" 2
345 1 60 GLN H 1 60 GLN HG3 . . 4.980 4.649 4.066 4.930 . 0 0 "[ . 1 . 2]" 2
346 1 33 CYS HB3 1 60 GLN HG3 . . 4.930 3.187 1.993 4.154 . 0 0 "[ . 1 . 2]" 2
347 1 60 GLN HA 1 60 GLN HG3 . . 4.200 3.145 2.782 3.642 . 0 0 "[ . 1 . 2]" 2
348 1 33 CYS HB2 1 60 GLN HG3 . . 4.930 3.521 1.994 4.530 . 0 0 "[ . 1 . 2]" 2
349 1 18 CYS HB3 1 25 MET HG2 . . 4.310 2.552 2.082 2.872 . 0 0 "[ . 1 . 2]" 2
350 1 18 CYS HB3 1 23 ASP H . . 4.050 3.967 3.733 4.058 0.008 13 0 "[ . 1 . 2]" 2
351 1 18 CYS HB3 1 22 LYS H . . 4.910 4.726 4.638 4.865 . 0 0 "[ . 1 . 2]" 2
352 1 17 LEU HA 1 18 CYS HB3 . . 4.500 4.395 4.342 4.477 . 0 0 "[ . 1 . 2]" 2
353 1 18 CYS H 1 18 CYS HB2 . . 3.690 3.622 3.585 3.686 . 0 0 "[ . 1 . 2]" 2
354 1 18 CYS HB2 1 23 ASP H . . 4.840 4.831 4.581 4.887 0.047 10 0 "[ . 1 . 2]" 2
355 1 18 CYS HB2 1 22 LYS H . . 4.730 4.514 4.396 4.632 . 0 0 "[ . 1 . 2]" 2
356 1 18 CYS HB2 1 25 MET HG3 . . 4.740 4.086 3.804 4.737 . 0 0 "[ . 1 . 2]" 2
357 1 57 THR HA 1 57 THR MG . . 3.190 2.545 2.182 3.194 0.004 12 0 "[ . 1 . 2]" 2
358 1 50 SER HB2 1 52 GLU H . . 5.070 4.048 2.921 5.056 . 0 0 "[ . 1 . 2]" 2
359 1 50 SER HB3 1 52 GLU H . . 5.070 3.952 2.811 5.069 . 0 0 "[ . 1 . 2]" 2
360 1 30 VAL H 1 69 SER QB . . 4.160 2.300 1.864 3.216 . 0 0 "[ . 1 . 2]" 2
361 1 29 VAL HA 1 69 SER QB . . 3.770 2.599 1.873 3.760 . 0 0 "[ . 1 . 2]" 2
362 1 30 VAL HB 1 69 SER QB . . 4.060 3.399 2.578 4.064 0.004 12 0 "[ . 1 . 2]" 2
363 1 18 CYS HB2 1 25 MET HG2 . . 4.050 3.848 3.525 4.023 . 0 0 "[ . 1 . 2]" 2
364 1 25 MET HG3 1 28 ALA MB . . 5.500 4.895 3.925 5.440 . 0 0 "[ . 1 . 2]" 2
365 1 18 CYS HB3 1 25 MET HG3 . . 4.470 2.426 2.176 3.003 . 0 0 "[ . 1 . 2]" 2
366 1 17 LEU HA 1 25 MET HG3 . . 4.700 4.017 2.909 4.536 . 0 0 "[ . 1 . 2]" 2
367 1 18 CYS HA 1 25 MET HG3 . . 4.350 4.199 3.722 4.361 0.011 10 0 "[ . 1 . 2]" 2
368 1 24 ILE HA 1 25 MET HG3 . . 4.520 4.248 3.403 4.527 0.007 5 0 "[ . 1 . 2]" 2
369 1 20 ILE HA 1 20 ILE HG13 . . 3.500 2.757 2.590 2.867 . 0 0 "[ . 1 . 2]" 2
370 1 20 ILE HA 1 20 ILE HG12 . . 3.500 2.553 2.413 2.764 . 0 0 "[ . 1 . 2]" 2
371 1 64 SER H 1 64 SER HB3 . . 3.740 3.184 2.487 3.665 . 0 0 "[ . 1 . 2]" 2
372 1 31 ILE MD 1 55 CYS HB2 . . 4.620 3.146 2.415 3.786 . 0 0 "[ . 1 . 2]" 2
373 1 65 PRO HA 1 68 LEU MD1 . . 3.660 2.302 1.969 3.070 . 0 0 "[ . 1 . 2]" 2
374 1 47 LEU MD1 1 65 PRO HA . . 3.970 3.478 3.075 3.866 . 0 0 "[ . 1 . 2]" 2
375 1 65 PRO HA 1 68 LEU HG . . 3.550 2.799 2.150 3.550 0.000 7 0 "[ . 1 . 2]" 2
376 1 64 SER HB2 1 67 ALA MB . . 4.210 3.109 2.225 4.133 . 0 0 "[ . 1 . 2]" 2
377 1 73 SER QB 1 74 GLY H . . 4.780 2.990 2.234 3.868 . 0 0 "[ . 1 . 2]" 2
378 1 34 CYS HB2 1 36 ASN QD . . 4.810 3.566 3.142 4.469 . 0 0 "[ . 1 . 2]" 2
379 1 34 CYS HB3 1 36 ASN QD . . 4.810 4.378 4.138 4.815 0.005 16 0 "[ . 1 . 2]" 2
380 1 34 CYS HB3 1 58 CYS HB3 . . 3.950 2.665 2.143 3.078 . 0 0 "[ . 1 . 2]" 2
381 1 39 CYS HB3 1 41 GLU H . . 4.610 2.895 2.657 3.027 . 0 0 "[ . 1 . 2]" 2
382 1 39 CYS HB3 1 40 ASP H . . 4.540 3.121 3.038 3.226 . 0 0 "[ . 1 . 2]" 2
383 1 39 CYS HB3 1 42 CYS HB2 . . 4.280 3.633 3.586 3.671 . 0 0 "[ . 1 . 2]" 2
384 1 39 CYS HB3 1 42 CYS H . . 4.440 3.099 2.897 3.208 . 0 0 "[ . 1 . 2]" 2
385 1 39 CYS HB2 1 42 CYS H . . 4.050 1.958 1.883 2.033 . 0 0 "[ . 1 . 2]" 2
386 1 39 CYS HB2 1 42 CYS HB2 . . 3.840 1.998 1.969 2.046 . 0 0 "[ . 1 . 2]" 2
387 1 39 CYS HB2 1 42 CYS HB3 . . 4.220 3.612 3.560 3.664 . 0 0 "[ . 1 . 2]" 2
388 1 63 VAL H 1 63 VAL HB . . 3.900 2.649 2.454 3.860 . 0 0 "[ . 1 . 2]" 2
389 1 26 THR HA 1 27 ASP H . . 3.540 3.531 3.492 3.555 0.015 11 0 "[ . 1 . 2]" 2
390 1 26 THR HA 1 27 ASP QB . . 5.420 5.135 4.823 5.434 0.014 11 0 "[ . 1 . 2]" 2
391 1 26 THR HA 1 26 THR MG . . 3.320 3.200 3.170 3.207 . 0 0 "[ . 1 . 2]" 2
392 1 31 ILE HG12 1 32 PRO QD . . 4.600 2.056 1.958 2.231 . 0 0 "[ . 1 . 2]" 2
393 1 31 ILE HA 1 31 ILE HG13 . . 3.990 2.218 2.153 2.264 . 0 0 "[ . 1 . 2]" 2
394 1 43 ILE HG13 1 47 LEU HG . . 4.700 3.029 2.374 3.269 . 0 0 "[ . 1 . 2]" 2
395 1 43 ILE HG13 1 47 LEU MD1 . . 4.480 2.649 1.975 2.988 . 0 0 "[ . 1 . 2]" 2
396 1 17 LEU HA 1 24 ILE HA . . 3.830 3.225 2.768 3.508 . 0 0 "[ . 1 . 2]" 2
397 1 24 ILE HA 1 24 ILE HG13 . . 3.930 2.820 2.340 3.750 . 0 0 "[ . 1 . 2]" 2
398 1 24 ILE HA 1 24 ILE HG12 . . 3.930 2.880 2.615 3.518 . 0 0 "[ . 1 . 2]" 2
399 1 41 GLU H 1 41 GLU HB3 . . 3.700 2.773 2.542 2.988 . 0 0 "[ . 1 . 2]" 2
400 1 15 GLU HB3 1 16 LEU H . . 4.680 4.023 3.444 4.186 . 0 0 "[ . 1 . 2]" 2
401 1 15 GLU HB2 1 16 LEU H . . 4.680 4.054 3.879 4.433 . 0 0 "[ . 1 . 2]" 2
402 1 43 ILE HA 1 44 ARG HA . . 4.960 4.819 4.758 4.930 . 0 0 "[ . 1 . 2]" 2
403 1 44 ARG HA 1 68 LEU MD1 . . 4.700 4.531 4.066 4.710 0.010 1 0 "[ . 1 . 2]" 2
404 1 44 ARG HA 1 47 LEU MD1 . . 4.220 3.068 2.336 3.488 . 0 0 "[ . 1 . 2]" 2
405 1 43 ILE MG 1 44 ARG HA . . 4.440 3.156 2.975 3.367 . 0 0 "[ . 1 . 2]" 2
406 1 20 ILE HB 1 42 CYS HB2 . . 4.370 4.254 4.140 4.390 0.020 19 0 "[ . 1 . 2]" 2
407 1 20 ILE MG 1 42 CYS HB2 . . 4.820 4.386 4.252 4.577 . 0 0 "[ . 1 . 2]" 2
408 1 42 CYS HB2 1 43 ILE MG . . 5.100 4.090 3.726 4.325 . 0 0 "[ . 1 . 2]" 2
409 1 20 ILE MD 1 42 CYS HB2 . . 4.050 3.265 3.138 3.536 . 0 0 "[ . 1 . 2]" 2
410 1 21 CYS H 1 42 CYS HB3 . . 5.070 4.748 4.605 4.908 . 0 0 "[ . 1 . 2]" 2
411 1 20 ILE HB 1 42 CYS HB3 . . 3.830 3.200 3.039 3.376 . 0 0 "[ . 1 . 2]" 2
412 1 20 ILE MD 1 42 CYS HB3 . . 3.690 1.870 1.764 2.035 . 0 0 "[ . 1 . 2]" 2
413 1 33 CYS HB2 1 60 GLN HG2 . . 4.930 2.813 2.196 3.881 . 0 0 "[ . 1 . 2]" 2
414 1 33 CYS HB2 1 60 GLN HB2 . . 4.450 2.947 2.708 3.317 . 0 0 "[ . 1 . 2]" 2
415 1 33 CYS HB2 1 60 GLN HB3 . . 4.450 4.175 3.428 4.452 0.002 19 0 "[ . 1 . 2]" 2
416 1 33 CYS HB3 1 60 GLN HG2 . . 4.930 2.595 1.964 4.014 . 0 0 "[ . 1 . 2]" 2
417 1 33 CYS HB3 1 60 GLN HB2 . . 4.450 3.633 3.355 3.893 . 0 0 "[ . 1 . 2]" 2
418 1 33 CYS HB3 1 60 GLN HB3 . . 4.450 4.185 3.461 4.501 0.051 16 0 "[ . 1 . 2]" 2
419 1 20 ILE HG13 1 38 TYR QE . . 4.220 2.271 2.007 2.554 . 0 0 "[ . 1 . 2]" 2
420 1 22 LYS HA 1 22 LYS HD3 . . 4.250 3.417 2.569 4.262 0.012 2 0 "[ . 1 . 2]" 2
421 1 18 CYS HA 1 38 TYR HA . . 3.970 3.444 3.167 3.935 . 0 0 "[ . 1 . 2]" 2
422 1 18 CYS HA 1 19 LEU HG . . 4.680 3.429 3.357 3.662 . 0 0 "[ . 1 . 2]" 2
423 1 18 CYS HA 1 25 MET HG2 . . 4.410 3.883 3.573 4.296 . 0 0 "[ . 1 . 2]" 2
424 1 24 ILE H 1 24 ILE HG12 . . 3.700 3.281 1.892 3.691 . 0 0 "[ . 1 . 2]" 2
425 1 17 LEU MD2 1 24 ILE HG12 . . 4.050 3.143 2.559 3.967 . 0 0 "[ . 1 . 2]" 2
426 1 18 CYS HA 1 19 LEU HB2 . . 5.150 4.920 4.829 5.024 . 0 0 "[ . 1 . 2]" 2
427 1 41 GLU HA 1 44 ARG HB2 . . 4.070 2.857 2.291 3.890 . 0 0 "[ . 1 . 2]" 2
428 1 41 GLU HA 1 44 ARG H . . 4.810 3.291 2.974 3.712 . 0 0 "[ . 1 . 2]" 2
429 1 41 GLU HA 1 41 GLU QG . . 3.710 3.128 2.353 3.429 . 0 0 "[ . 1 . 2]" 2
430 1 41 GLU HA 1 44 ARG HB3 . . 4.070 2.266 1.995 2.616 . 0 0 "[ . 1 . 2]" 2
431 1 31 ILE HA 1 32 PRO HG2 . . 4.750 4.307 4.278 4.320 . 0 0 "[ . 1 . 2]" 2
432 1 19 LEU H 1 19 LEU HG . . 4.330 2.371 2.228 2.714 . 0 0 "[ . 1 . 2]" 2
433 1 19 LEU HG 1 38 TYR QE . . 4.580 3.741 3.556 4.024 . 0 0 "[ . 1 . 2]" 2
434 1 12 ILE HA 1 12 ILE HG12 . . 3.880 2.820 2.524 3.432 . 0 0 "[ . 1 . 2]" 2
435 1 12 ILE HA 1 12 ILE HG13 . . 3.880 3.048 2.190 3.767 . 0 0 "[ . 1 . 2]" 2
436 1 29 VAL MG1 1 40 ASP HA . . 3.410 2.747 2.192 3.092 . 0 0 "[ . 1 . 2]" 2
437 1 68 LEU H 1 68 LEU HG . . 4.100 2.220 1.896 3.040 . 0 0 "[ . 1 . 2]" 2
438 1 16 LEU H 1 16 LEU HG . . 3.920 3.202 2.854 4.091 0.171 15 0 "[ . 1 . 2]" 2
439 1 16 LEU HA 1 16 LEU HG . . 3.990 2.884 2.722 3.719 . 0 0 "[ . 1 . 2]" 2
440 1 13 PRO HD2 1 16 LEU HG . . 5.500 4.133 3.198 4.625 . 0 0 "[ . 1 . 2]" 2
441 1 53 HIS HB3 1 62 ASP HA . . 4.540 3.046 1.995 4.453 . 0 0 "[ . 1 . 2]" 2
442 1 53 HIS HB3 1 62 ASP H . . 5.500 4.483 3.308 5.456 . 0 0 "[ . 1 . 2]" 2
443 1 53 HIS HB2 1 63 VAL H . . 4.690 3.208 1.975 4.304 . 0 0 "[ . 1 . 2]" 2
444 1 38 TYR QE 1 56 PRO HG2 . . 5.070 3.920 3.578 4.347 . 0 0 "[ . 1 . 2]" 2
445 1 20 ILE MD 1 56 PRO HG2 . . 4.340 3.847 3.375 4.317 . 0 0 "[ . 1 . 2]" 2
446 1 43 ILE MD 1 56 PRO HG3 . . 4.480 3.948 3.415 4.481 0.001 9 0 "[ . 1 . 2]" 2
447 1 12 ILE MG 1 17 LEU HG . . 3.970 2.640 2.004 3.362 . 0 0 "[ . 1 . 2]" 2
448 1 33 CYS HB2 1 60 GLN HA . . 5.500 4.644 3.956 4.995 . 0 0 "[ . 1 . 2]" 2
449 1 49 GLU HA 1 49 GLU HG3 . . 4.190 3.455 2.669 3.783 . 0 0 "[ . 1 . 2]" 2
450 1 49 GLU HA 1 49 GLU HG2 . . 4.190 2.909 2.166 4.203 0.013 12 0 "[ . 1 . 2]" 2
451 1 19 LEU HA 1 19 LEU HG . . 3.880 3.178 3.113 3.236 . 0 0 "[ . 1 . 2]" 2
452 1 19 LEU HA 1 19 LEU MD2 . . 3.170 2.345 2.173 2.479 . 0 0 "[ . 1 . 2]" 2
453 1 47 LEU HA 1 53 HIS HA . . 4.620 2.798 2.107 3.562 . 0 0 "[ . 1 . 2]" 2
454 1 47 LEU HA 1 48 LEU HA . . 5.080 4.774 4.718 4.858 . 0 0 "[ . 1 . 2]" 2
455 1 47 LEU HA 1 47 LEU HG . . 3.990 2.989 2.721 3.143 . 0 0 "[ . 1 . 2]" 2
456 1 46 ALA MB 1 47 LEU HA . . 4.560 3.732 3.569 3.830 . 0 0 "[ . 1 . 2]" 2
457 1 33 CYS HB3 1 60 GLN HA . . 5.500 5.303 4.908 5.526 0.026 19 0 "[ . 1 . 2]" 2
458 1 47 LEU HA 1 47 LEU MD1 . . 4.380 3.888 3.834 3.937 . 0 0 "[ . 1 . 2]" 2
459 1 47 LEU HB3 1 47 LEU MD1 . . 3.560 2.458 2.301 2.623 . 0 0 "[ . 1 . 2]" 2
460 1 15 GLU HA 1 17 LEU H . . 4.730 3.976 3.388 4.689 . 0 0 "[ . 1 . 2]" 2
461 1 18 CYS H 1 22 LYS HA . . 4.430 3.124 2.608 3.384 . 0 0 "[ . 1 . 2]" 2
462 1 22 LYS HA 1 22 LYS HD2 . . 4.250 2.504 1.997 3.710 . 0 0 "[ . 1 . 2]" 2
463 1 17 LEU HB2 1 22 LYS HA . . 4.360 3.825 3.094 4.191 . 0 0 "[ . 1 . 2]" 2
464 1 22 LYS HA 1 22 LYS HG3 . . 4.110 3.366 2.263 3.837 . 0 0 "[ . 1 . 2]" 2
465 1 17 LEU HB3 1 22 LYS HA . . 3.840 2.562 2.335 2.727 . 0 0 "[ . 1 . 2]" 2
466 1 17 LEU MD1 1 22 LYS HA . . 4.490 3.689 3.232 4.082 . 0 0 "[ . 1 . 2]" 2
467 1 17 LEU HA 1 17 LEU MD1 . . 4.440 3.898 3.844 3.955 . 0 0 "[ . 1 . 2]" 2
468 1 14 ASP HA 1 17 LEU MD1 . . 3.990 2.442 1.911 3.385 . 0 0 "[ . 1 . 2]" 2
469 1 17 LEU MD1 1 22 LYS HB3 . . 4.150 2.961 2.530 3.360 . 0 0 "[ . 1 . 2]" 2
470 1 12 ILE HB 1 17 LEU MD1 . . 4.430 3.595 2.345 4.438 0.008 15 0 "[ . 1 . 2]" 2
471 1 17 LEU HB2 1 17 LEU MD1 . . 3.150 2.231 2.045 2.346 . 0 0 "[ . 1 . 2]" 2
472 1 19 LEU MD1 1 36 ASN HB2 . . 4.280 4.071 3.388 4.287 0.007 15 0 "[ . 1 . 2]" 2
473 1 19 LEU HA 1 19 LEU MD1 . . 4.020 3.955 3.861 3.982 . 0 0 "[ . 1 . 2]" 2
474 1 19 LEU MD1 1 36 ASN HB3 . . 4.280 2.739 2.255 3.067 . 0 0 "[ . 1 . 2]" 2
475 1 8 GLU HA 1 9 ASP HA . . 4.460 4.388 4.309 4.458 . 0 0 "[ . 1 . 2]" 2
476 1 8 GLU HA 1 8 GLU QG . . 3.900 2.812 2.165 3.500 . 0 0 "[ . 1 . 2]" 2
477 1 48 LEU HA 1 53 HIS HD2 . . 4.570 3.908 2.794 4.574 0.004 14 0 "[ . 1 . 2]" 2
478 1 48 LEU HA 1 48 LEU HG . . 3.730 3.023 2.255 3.732 0.002 16 0 "[ . 1 . 2]" 2
479 1 22 LYS H 1 22 LYS HG2 . . 4.480 3.285 2.635 4.551 0.071 15 0 "[ . 1 . 2]" 2
480 1 22 LYS HA 1 22 LYS HG2 . . 4.110 3.211 2.953 3.622 . 0 0 "[ . 1 . 2]" 2
481 1 14 ASP HA 1 17 LEU HG . . 4.300 3.151 2.520 4.076 . 0 0 "[ . 1 . 2]" 2
482 1 19 LEU MD2 1 22 LYS QE . . 4.610 4.162 3.284 4.639 0.029 3 0 "[ . 1 . 2]" 2
483 1 68 LEU HA 1 68 LEU HG . . 4.030 3.140 2.908 3.280 . 0 0 "[ . 1 . 2]" 2
484 1 68 LEU HA 1 68 LEU MD2 . . 3.280 2.177 1.968 2.404 . 0 0 "[ . 1 . 2]" 2
485 1 61 ASN H 1 62 ASP HA . . 5.500 5.269 4.481 5.704 0.204 17 0 "[ . 1 . 2]" 2
486 1 18 CYS H 1 19 LEU MD2 . . 5.500 5.463 5.410 5.518 0.018 3 0 "[ . 1 . 2]" 2
487 1 29 VAL HA 1 68 LEU HA . . 5.500 5.054 4.454 5.501 0.001 11 0 "[ . 1 . 2]" 2
488 1 53 HIS HA 1 62 ASP HA . . 5.500 4.932 4.214 5.513 0.013 6 0 "[ . 1 . 2]" 2
489 1 53 HIS HB2 1 62 ASP HA . . 4.540 2.344 2.001 2.936 . 0 0 "[ . 1 . 2]" 2
490 1 46 ALA HA 1 49 GLU H . . 4.390 3.828 3.375 4.385 . 0 0 "[ . 1 . 2]" 2
491 1 16 LEU MD2 1 17 LEU H . . 5.470 4.660 4.193 4.881 . 0 0 "[ . 1 . 2]" 2
492 1 45 THR MG 1 46 ALA HA . . 4.380 3.528 2.735 3.852 . 0 0 "[ . 1 . 2]" 2
493 1 48 LEU H 1 48 LEU MD2 . . 4.400 3.200 1.811 4.163 . 0 0 "[ . 1 . 2]" 2
494 1 48 LEU HA 1 48 LEU MD2 . . 3.970 2.825 2.175 3.789 . 0 0 "[ . 1 . 2]" 2
495 1 31 ILE H 1 68 LEU MD2 . . 4.660 3.778 3.479 4.357 . 0 0 "[ . 1 . 2]" 2
496 1 67 ALA H 1 68 LEU MD2 . . 5.020 4.765 3.727 5.022 0.002 13 0 "[ . 1 . 2]" 2
497 1 31 ILE HA 1 68 LEU MD2 . . 3.530 2.141 1.851 2.679 . 0 0 "[ . 1 . 2]" 2
498 1 16 LEU HA 1 16 LEU MD2 . . 3.930 2.156 1.962 2.448 . 0 0 "[ . 1 . 2]" 2
499 1 15 GLU HG2 1 16 LEU MD2 . . 6.290 4.487 1.992 5.440 . 0 0 "[ . 1 . 2]" 2
500 1 31 ILE HG12 1 68 LEU MD2 . . 4.750 3.497 3.192 3.943 . 0 0 "[ . 1 . 2]" 2
501 1 26 THR MG 1 27 ASP HA . . 4.640 3.831 3.723 4.138 . 0 0 "[ . 1 . 2]" 2
502 1 27 ASP HA 1 28 ALA MB . . 5.150 4.099 3.973 4.285 . 0 0 "[ . 1 . 2]" 2
503 1 16 LEU HA 1 16 LEU MD1 . . 3.930 3.686 2.120 3.903 . 0 0 "[ . 1 . 2]" 2
504 1 12 ILE HB 1 17 LEU MD2 . . 4.520 3.582 2.959 4.528 0.008 15 0 "[ . 1 . 2]" 2
505 1 57 THR H 1 57 THR MG . . 4.070 3.297 1.863 3.914 . 0 0 "[ . 1 . 2]" 2
506 1 38 TYR HH 1 57 THR MG . . 4.380 3.208 2.091 4.102 . 0 0 "[ . 1 . 2]" 2
507 1 36 ASN QD 1 57 THR MG . . 3.760 1.920 1.726 2.836 . 0 0 "[ . 1 . 2]" 2
508 1 36 ASN HB2 1 57 THR MG . . 4.860 3.996 2.813 4.748 . 0 0 "[ . 1 . 2]" 2
509 1 57 THR MG 1 58 CYS HB2 . . 5.280 4.577 4.115 5.006 . 0 0 "[ . 1 . 2]" 2
510 1 36 ASN HB3 1 57 THR MG . . 4.860 4.375 3.612 4.861 0.001 2 0 "[ . 1 . 2]" 2
511 1 17 LEU MD2 1 22 LYS HA . . 4.500 3.798 3.464 4.090 . 0 0 "[ . 1 . 2]" 2
512 1 17 LEU MD2 1 24 ILE H . . 3.840 2.699 2.251 3.135 . 0 0 "[ . 1 . 2]" 2
513 1 17 LEU MD2 1 23 ASP HA . . 3.910 2.556 1.967 3.104 . 0 0 "[ . 1 . 2]" 2
514 1 17 LEU HA 1 17 LEU MD2 . . 3.260 2.157 1.977 2.311 . 0 0 "[ . 1 . 2]" 2
515 1 17 LEU MD2 1 24 ILE HA . . 3.600 2.439 2.027 2.689 . 0 0 "[ . 1 . 2]" 2
516 1 17 LEU MD2 1 22 LYS HB3 . . 4.620 4.104 3.789 4.432 . 0 0 "[ . 1 . 2]" 2
517 1 29 VAL H 1 29 VAL MG1 . . 4.250 3.084 2.817 3.267 . 0 0 "[ . 1 . 2]" 2
518 1 29 VAL MG1 1 30 VAL H . . 4.240 3.906 3.716 4.078 . 0 0 "[ . 1 . 2]" 2
519 1 29 VAL MG1 1 70 GLY H . . 5.030 4.022 1.983 5.037 0.007 12 0 "[ . 1 . 2]" 2
520 1 29 VAL HA 1 29 VAL MG1 . . 3.480 2.246 2.119 2.343 . 0 0 "[ . 1 . 2]" 2
521 1 28 ALA HA 1 29 VAL MG1 . . 4.110 3.974 3.786 4.166 0.056 12 0 "[ . 1 . 2]" 2
522 1 29 VAL MG1 1 40 ASP HB2 . . 3.930 3.459 2.939 3.918 . 0 0 "[ . 1 . 2]" 2
523 1 29 VAL MG1 1 40 ASP HB3 . . 4.760 4.485 3.806 4.773 0.013 15 0 "[ . 1 . 2]" 2
524 1 42 CYS HA 1 45 THR MG . . 5.230 4.701 2.299 5.225 . 0 0 "[ . 1 . 2]" 2
525 1 45 THR HA 1 45 THR MG . . 3.340 2.417 2.214 3.171 . 0 0 "[ . 1 . 2]" 2
526 1 45 THR MG 1 49 GLU HG2 . . 4.280 2.668 1.931 3.975 . 0 0 "[ . 1 . 2]" 2
527 1 45 THR MG 1 49 GLU HG3 . . 4.280 2.957 1.926 4.108 . 0 0 "[ . 1 . 2]" 2
528 1 54 THR MG 1 55 CYS H . . 3.860 2.742 2.141 3.357 . 0 0 "[ . 1 . 2]" 2
529 1 54 THR MG 1 59 HIS H . . 5.370 4.967 3.782 5.389 0.019 18 0 "[ . 1 . 2]" 2
530 1 54 THR MG 1 59 HIS HA . . 3.320 2.772 1.988 3.099 . 0 0 "[ . 1 . 2]" 2
531 1 28 ALA MB 1 29 VAL H . . 3.800 3.150 2.925 3.454 . 0 0 "[ . 1 . 2]" 2
532 1 25 MET HB2 1 28 ALA MB . . 4.220 2.809 1.963 3.396 . 0 0 "[ . 1 . 2]" 2
533 1 26 THR MG 1 27 ASP H . . 4.090 1.939 1.868 2.024 . 0 0 "[ . 1 . 2]" 2
534 1 26 THR H 1 26 THR MG . . 3.940 2.164 1.998 2.282 . 0 0 "[ . 1 . 2]" 2
535 1 26 THR MG 1 27 ASP QB . . 3.940 2.600 2.286 2.968 . 0 0 "[ . 1 . 2]" 2
536 1 47 LEU MD2 1 63 VAL H . . 5.500 3.519 2.736 4.138 . 0 0 "[ . 1 . 2]" 2
537 1 47 LEU H 1 47 LEU MD2 . . 4.360 3.484 3.186 3.797 . 0 0 "[ . 1 . 2]" 2
538 1 47 LEU MD2 1 54 THR H . . 4.570 3.760 2.700 4.577 0.007 14 0 "[ . 1 . 2]" 2
539 1 47 LEU MD2 1 48 LEU H . . 5.170 4.689 4.615 4.824 . 0 0 "[ . 1 . 2]" 2
540 1 47 LEU MD2 1 53 HIS H . . 5.500 4.723 4.045 5.415 . 0 0 "[ . 1 . 2]" 2
541 1 47 LEU MD2 1 55 CYS HA . . 4.060 3.517 2.489 3.951 . 0 0 "[ . 1 . 2]" 2
542 1 47 LEU HA 1 47 LEU MD2 . . 3.170 2.138 1.961 2.493 . 0 0 "[ . 1 . 2]" 2
543 1 47 LEU MD2 1 63 VAL HB . . 3.540 2.551 1.919 3.589 0.049 8 0 "[ . 1 . 2]" 2
544 1 47 LEU HB3 1 47 LEU MD2 . . 3.380 2.276 2.074 2.365 . 0 0 "[ . 1 . 2]" 2
545 1 43 ILE MD 1 47 LEU MD2 . . 3.940 3.111 2.210 3.649 . 0 0 "[ . 1 . 2]" 2
546 1 47 LEU MD2 1 53 HIS HA . . 4.470 2.677 1.980 3.301 . 0 0 "[ . 1 . 2]" 2
547 1 47 LEU MD2 1 53 HIS HB3 . . 4.680 2.446 1.793 3.143 . 0 0 "[ . 1 . 2]" 2
548 1 28 ALA MB 1 37 SER QB . . 3.950 3.425 2.736 3.910 . 0 0 "[ . 1 . 2]" 2
549 1 63 VAL H 1 63 VAL MG2 . . 4.730 2.565 1.871 3.773 . 0 0 "[ . 1 . 2]" 2
550 1 30 VAL H 1 30 VAL MG1 . . 4.340 3.611 2.015 3.827 . 0 0 "[ . 1 . 2]" 2
551 1 63 VAL HA 1 63 VAL MG2 . . 3.370 2.375 2.162 3.187 . 0 0 "[ . 1 . 2]" 2
552 1 31 ILE HG12 1 63 VAL MG2 . . 4.680 3.456 2.119 4.137 . 0 0 "[ . 1 . 2]" 2
553 1 30 VAL MG1 1 37 SER HA . . 5.230 4.863 3.963 5.236 0.006 19 0 "[ . 1 . 2]" 2
554 1 30 VAL H 1 30 VAL MG2 . . 4.340 2.648 2.407 3.781 . 0 0 "[ . 1 . 2]" 2
555 1 29 VAL MG2 1 40 ASP H . . 4.330 3.799 3.549 4.338 0.008 20 0 "[ . 1 . 2]" 2
556 1 29 VAL H 1 29 VAL MG2 . . 3.470 2.040 1.913 2.273 . 0 0 "[ . 1 . 2]" 2
557 1 28 ALA HA 1 29 VAL MG2 . . 4.000 3.626 3.505 3.779 . 0 0 "[ . 1 . 2]" 2
558 1 29 VAL MG2 1 40 ASP HA . . 3.160 2.719 2.284 3.007 . 0 0 "[ . 1 . 2]" 2
559 1 29 VAL MG2 1 40 ASP HB3 . . 5.220 4.897 4.469 5.223 0.003 19 0 "[ . 1 . 2]" 2
560 1 43 ILE MG 1 44 ARG HB2 . . 4.190 3.154 2.931 3.982 . 0 0 "[ . 1 . 2]" 2
561 1 63 VAL H 1 63 VAL MG1 . . 4.730 3.533 2.196 3.849 . 0 0 "[ . 1 . 2]" 2
562 1 31 ILE HG12 1 63 VAL MG1 . . 4.680 2.913 2.443 3.789 . 0 0 "[ . 1 . 2]" 2
563 1 63 VAL HA 1 63 VAL MG1 . . 3.370 2.506 2.149 3.198 . 0 0 "[ . 1 . 2]" 2
564 1 43 ILE MD 1 43 ILE MG . . 3.880 3.233 3.202 3.254 . 0 0 "[ . 1 . 2]" 2
565 1 43 ILE MG 1 44 ARG H . . 3.810 1.965 1.816 2.261 . 0 0 "[ . 1 . 2]" 2
566 1 29 VAL MG2 1 38 TYR QD . . 4.670 3.800 3.244 4.323 . 0 0 "[ . 1 . 2]" 2
567 1 43 ILE MG 1 44 ARG HB3 . . 4.190 3.910 2.967 4.261 0.071 4 0 "[ . 1 . 2]" 2
568 1 31 ILE MG 1 32 PRO QD . . 4.610 3.391 3.310 3.482 . 0 0 "[ . 1 . 2]" 2
569 1 31 ILE MG 1 38 TYR QE . . 3.570 3.416 2.920 3.665 0.095 19 0 "[ . 1 . 2]" 2
570 1 31 ILE MG 1 63 VAL MG1 . . 4.620 4.251 3.821 4.680 0.060 8 0 "[ . 1 . 2]" 2
571 1 31 ILE MG 1 63 VAL MG2 . . 4.620 4.347 3.490 4.703 0.083 16 0 "[ . 1 . 2]" 2
572 1 31 ILE MG 1 68 LEU MD2 . . 4.870 4.030 3.787 4.320 . 0 0 "[ . 1 . 2]" 2
573 1 31 ILE MG 1 38 TYR QD . . 4.740 4.218 4.042 4.586 . 0 0 "[ . 1 . 2]" 2
574 1 12 ILE H 1 13 PRO HD3 . . 4.840 4.722 4.602 4.858 0.018 14 0 "[ . 1 . 2]" 2
575 1 12 ILE HA 1 13 PRO HD3 . . 2.810 2.277 2.257 2.318 . 0 0 "[ . 1 . 2]" 2
576 1 12 ILE MG 1 13 PRO HD3 . . 3.730 3.404 3.284 3.563 . 0 0 "[ . 1 . 2]" 2
577 1 31 ILE H 1 32 PRO QD . . 4.800 4.323 4.306 4.335 . 0 0 "[ . 1 . 2]" 2
578 1 31 ILE HA 1 32 PRO QD . . 3.150 1.955 1.937 1.962 . 0 0 "[ . 1 . 2]" 2
579 1 32 PRO QD 1 68 LEU HA . . 4.370 3.172 2.523 3.707 . 0 0 "[ . 1 . 2]" 2
580 1 31 ILE HB 1 32 PRO QD . . 4.290 3.747 3.711 3.779 . 0 0 "[ . 1 . 2]" 2
581 1 31 ILE HG13 1 32 PRO QD . . 3.620 2.032 1.970 2.135 . 0 0 "[ . 1 . 2]" 2
582 1 12 ILE HA 1 13 PRO HD2 . . 2.920 2.054 1.982 2.119 . 0 0 "[ . 1 . 2]" 2
583 1 13 PRO HD2 1 16 LEU QB . . 4.080 3.059 2.840 3.244 . 0 0 "[ . 1 . 2]" 2
584 1 12 ILE MG 1 13 PRO HD2 . . 3.310 2.009 1.948 2.276 . 0 0 "[ . 1 . 2]" 2
585 1 64 SER H 1 67 ALA MB . . 4.630 4.148 3.485 4.467 . 0 0 "[ . 1 . 2]" 2
586 1 67 ALA MB 1 68 LEU H . . 4.550 2.888 2.439 3.707 . 0 0 "[ . 1 . 2]" 2
587 1 64 SER HB3 1 67 ALA MB . . 4.210 3.111 2.017 4.058 . 0 0 "[ . 1 . 2]" 2
588 1 32 PRO QD 1 67 ALA MB . . 3.840 2.887 2.238 3.536 . 0 0 "[ . 1 . 2]" 2
589 1 67 ALA MB 1 68 LEU MD2 . . 5.100 3.731 3.470 4.333 . 0 0 "[ . 1 . 2]" 2
590 1 12 ILE H 1 13 PRO HD2 . . 4.950 4.751 4.667 4.834 . 0 0 "[ . 1 . 2]" 2
591 1 47 LEU MD2 1 56 PRO HD3 . . 4.740 3.973 3.385 4.465 . 0 0 "[ . 1 . 2]" 2
592 1 55 CYS HA 1 56 PRO HD3 . . 3.630 2.272 2.252 2.310 . 0 0 "[ . 1 . 2]" 2
593 1 43 ILE MD 1 56 PRO HD3 . . 4.100 3.879 3.189 4.102 0.002 9 0 "[ . 1 . 2]" 2
594 1 55 CYS HA 1 56 PRO HD2 . . 3.630 2.073 1.990 2.175 . 0 0 "[ . 1 . 2]" 2
595 1 47 LEU MD2 1 56 PRO HD2 . . 4.740 4.420 3.731 4.755 0.015 19 0 "[ . 1 . 2]" 2
596 1 10 ASP HB2 1 11 PRO HD3 . . 4.920 4.150 1.956 4.903 . 0 0 "[ . 1 . 2]" 2
597 1 10 ASP HB2 1 11 PRO HD2 . . 4.920 3.294 2.354 4.035 . 0 0 "[ . 1 . 2]" 2
598 1 10 ASP HB3 1 11 PRO HD2 . . 4.920 3.330 2.296 4.170 . 0 0 "[ . 1 . 2]" 2
599 1 64 SER HA 1 65 PRO HD3 . . 3.410 2.373 2.258 2.494 . 0 0 "[ . 1 . 2]" 2
600 1 64 SER HA 1 65 PRO HD2 . . 3.410 1.972 1.911 2.256 . 0 0 "[ . 1 . 2]" 2
601 1 46 ALA MB 1 47 LEU H . . 3.770 2.371 2.065 2.723 . 0 0 "[ . 1 . 2]" 2
602 1 43 ILE HA 1 46 ALA MB . . 3.410 2.446 2.139 2.821 . 0 0 "[ . 1 . 2]" 2
603 1 46 ALA MB 1 56 PRO HD2 . . 4.840 3.979 3.496 4.436 . 0 0 "[ . 1 . 2]" 2
604 1 46 ALA MB 1 47 LEU MD1 . . 5.030 4.408 4.099 4.617 . 0 0 "[ . 1 . 2]" 2
605 1 46 ALA MB 1 47 LEU MD2 . . 5.240 3.759 3.338 4.315 . 0 0 "[ . 1 . 2]" 2
606 1 20 ILE MD 1 46 ALA MB . . 3.320 2.838 2.378 3.223 . 0 0 "[ . 1 . 2]" 2
607 1 43 ILE MD 1 46 ALA MB . . 3.540 2.904 2.277 3.328 . 0 0 "[ . 1 . 2]" 2
608 1 24 ILE H 1 24 ILE MG . . 3.910 3.773 3.767 3.778 . 0 0 "[ . 1 . 2]" 2
609 1 24 ILE HA 1 24 ILE MG . . 3.300 2.373 2.300 2.466 . 0 0 "[ . 1 . 2]" 2
610 1 24 ILE HG12 1 24 ILE MG . . 3.280 2.308 2.033 3.200 . 0 0 "[ . 1 . 2]" 2
611 1 17 LEU HA 1 24 ILE MG . . 5.070 4.892 4.527 5.064 . 0 0 "[ . 1 . 2]" 2
612 1 12 ILE H 1 12 ILE MG . . 3.800 3.774 3.755 3.794 . 0 0 "[ . 1 . 2]" 2
613 1 12 ILE HA 1 12 ILE MG . . 3.140 2.409 2.274 2.493 . 0 0 "[ . 1 . 2]" 2
614 1 18 CYS H 1 25 MET ME . . 4.340 3.710 3.382 4.003 . 0 0 "[ . 1 . 2]" 2
615 1 25 MET ME 1 38 TYR H . . 4.430 4.167 3.895 4.443 0.013 14 0 "[ . 1 . 2]" 2
616 1 25 MET H 1 25 MET ME . . 3.910 3.328 2.688 3.829 . 0 0 "[ . 1 . 2]" 2
617 1 16 LEU H 1 25 MET ME . . 5.270 4.844 4.040 5.271 0.001 12 0 "[ . 1 . 2]" 2
618 1 17 LEU H 1 25 MET ME . . 4.190 3.421 2.831 4.170 . 0 0 "[ . 1 . 2]" 2
619 1 25 MET ME 1 38 TYR HA . . 4.700 4.347 3.328 4.731 0.031 14 0 "[ . 1 . 2]" 2
620 1 16 LEU HA 1 25 MET ME . . 3.630 3.047 2.441 3.579 . 0 0 "[ . 1 . 2]" 2
621 1 18 CYS HA 1 25 MET ME . . 3.920 3.080 2.406 3.634 . 0 0 "[ . 1 . 2]" 2
622 1 25 MET ME 1 37 SER QB . . 3.020 2.023 1.786 2.518 . 0 0 "[ . 1 . 2]" 2
623 1 18 CYS HB2 1 25 MET ME . . 4.860 4.478 3.755 4.866 0.006 6 0 "[ . 1 . 2]" 2
624 1 25 MET ME 1 25 MET HG2 . . 3.780 2.548 2.051 3.390 . 0 0 "[ . 1 . 2]" 2
625 1 25 MET ME 1 25 MET HG3 . . 3.520 3.092 2.254 3.369 . 0 0 "[ . 1 . 2]" 2
626 1 25 MET ME 1 28 ALA MB . . 3.040 2.636 2.079 3.017 . 0 0 "[ . 1 . 2]" 2
627 1 20 ILE H 1 20 ILE MG . . 4.100 3.784 3.712 3.811 . 0 0 "[ . 1 . 2]" 2
628 1 20 ILE MG 1 21 CYS H . . 3.720 2.419 2.246 2.542 . 0 0 "[ . 1 . 2]" 2
629 1 20 ILE MG 1 38 TYR QD . . 4.720 4.445 4.241 4.630 . 0 0 "[ . 1 . 2]" 2
630 1 20 ILE MG 1 42 CYS HA . . 4.160 3.593 3.289 3.930 . 0 0 "[ . 1 . 2]" 2
631 1 20 ILE MG 1 21 CYS HB2 . . 4.210 3.983 3.838 4.085 . 0 0 "[ . 1 . 2]" 2
632 1 20 ILE MG 1 21 CYS HB3 . . 3.650 2.540 2.384 2.652 . 0 0 "[ . 1 . 2]" 2
633 1 20 ILE HG13 1 20 ILE MG . . 3.670 3.192 3.148 3.204 . 0 0 "[ . 1 . 2]" 2
634 1 20 ILE MD 1 20 ILE MG . . 3.030 2.007 1.910 2.321 . 0 0 "[ . 1 . 2]" 2
635 1 20 ILE HA 1 20 ILE MG . . 3.190 2.503 2.466 2.557 . 0 0 "[ . 1 . 2]" 2
636 1 20 ILE MG 1 42 CYS HB3 . . 3.500 3.203 3.017 3.516 0.016 20 0 "[ . 1 . 2]" 2
637 1 20 ILE MG 1 46 ALA MB . . 4.440 4.154 3.897 4.455 0.015 11 0 "[ . 1 . 2]" 2
638 1 38 TYR QD 1 43 ILE MG . . 4.780 4.239 3.766 4.549 . 0 0 "[ . 1 . 2]" 2
639 1 38 TYR QD 1 43 ILE HG12 . . 4.310 3.973 3.514 4.315 0.005 10 0 "[ . 1 . 2]" 2
640 1 38 TYR QD 1 43 ILE MD . . 4.510 2.502 2.063 3.387 . 0 0 "[ . 1 . 2]" 2
641 1 37 SER HA 1 38 TYR QD . . 4.600 4.257 3.085 4.566 . 0 0 "[ . 1 . 2]" 2
642 1 59 HIS HA 1 59 HIS HD2 . . 4.730 3.150 2.580 4.717 . 0 0 "[ . 1 . 2]" 2
643 1 54 THR MG 1 59 HIS HD2 . . 4.680 3.796 2.996 4.690 0.010 19 0 "[ . 1 . 2]" 2
644 1 53 HIS HA 1 53 HIS HD2 . . 4.250 2.780 2.179 3.695 . 0 0 "[ . 1 . 2]" 2
645 1 38 TYR HA 1 38 TYR QD . . 4.340 2.460 2.257 3.030 . 0 0 "[ . 1 . 2]" 2
646 1 36 ASN HB2 1 38 TYR QE . . 4.400 2.035 1.982 2.190 . 0 0 "[ . 1 . 2]" 2
647 1 36 ASN HB3 1 38 TYR QE . . 4.400 2.830 2.581 3.349 . 0 0 "[ . 1 . 2]" 2
648 1 19 LEU HB2 1 38 TYR QE . . 3.170 2.021 1.984 2.199 . 0 0 "[ . 1 . 2]" 2
649 1 20 ILE HG12 1 38 TYR QE . . 4.220 3.712 3.469 3.948 . 0 0 "[ . 1 . 2]" 2
650 1 20 ILE MG 1 38 TYR QE . . 5.160 4.982 4.755 5.176 0.016 3 0 "[ . 1 . 2]" 2
651 1 19 LEU MD1 1 38 TYR QE . . 3.760 3.228 2.948 3.438 . 0 0 "[ . 1 . 2]" 2
652 1 38 TYR QE 1 43 ILE MD . . 4.590 3.460 3.049 3.861 . 0 0 "[ . 1 . 2]" 2
653 1 10 ASP HB3 1 11 PRO HD3 . . 4.920 4.094 2.268 4.892 . 0 0 "[ . 1 . 2]" 2
654 1 10 ASP H 1 11 PRO HD3 . . 4.910 4.456 2.996 4.877 . 0 0 "[ . 1 . 2]" 2
655 1 10 ASP H 1 11 PRO HD2 . . 4.910 4.355 1.870 4.841 . 0 0 "[ . 1 . 2]" 2
656 1 12 ILE HG12 1 12 ILE MG . . 3.280 2.544 1.983 3.200 . 0 0 "[ . 1 . 2]" 2
657 1 30 VAL MG1 1 69 SER QB . . 5.110 4.360 1.797 5.113 0.003 10 0 "[ . 1 . 2]" 2
658 1 30 VAL MG2 1 69 SER QB . . 5.110 3.486 2.606 4.562 . 0 0 "[ . 1 . 2]" 2
659 1 29 VAL HB 1 68 LEU HB3 . . 4.370 2.227 1.996 2.646 . 0 0 "[ . 1 . 2]" 2
660 1 31 ILE HB 1 38 TYR QE . . 4.720 3.954 3.363 4.233 . 0 0 "[ . 1 . 2]" 2
661 1 31 ILE MD 1 47 LEU MD1 . . 4.260 3.857 3.299 4.235 . 0 0 "[ . 1 . 2]" 2
662 1 31 ILE MD 1 47 LEU MD2 . . 4.530 3.283 2.837 3.835 . 0 0 "[ . 1 . 2]" 2
663 1 31 ILE HA 1 32 PRO HG3 . . 4.750 4.346 4.334 4.352 . 0 0 "[ . 1 . 2]" 2
664 1 38 TYR HB2 1 42 CYS HB2 . . 4.780 4.229 3.824 4.497 . 0 0 "[ . 1 . 2]" 2
665 1 20 ILE MD 1 38 TYR HB2 . . 5.080 3.806 3.518 4.369 . 0 0 "[ . 1 . 2]" 2
666 1 39 CYS HA 1 40 ASP HB3 . . 4.840 4.400 4.322 4.508 . 0 0 "[ . 1 . 2]" 2
667 1 29 VAL MG1 1 39 CYS HA . . 5.500 5.181 4.675 5.505 0.005 11 0 "[ . 1 . 2]" 2
668 1 29 VAL MG2 1 39 CYS HA . . 5.500 4.140 3.790 4.630 . 0 0 "[ . 1 . 2]" 2
669 1 20 ILE MD 1 42 CYS HA . . 4.680 3.402 2.946 3.690 . 0 0 "[ . 1 . 2]" 2
670 1 42 CYS HA 1 45 THR H . . 4.760 3.984 3.649 4.383 . 0 0 "[ . 1 . 2]" 2
671 1 39 CYS HB3 1 42 CYS HB3 . . 5.370 5.325 5.280 5.365 . 0 0 "[ . 1 . 2]" 2
672 1 39 CYS H 1 42 CYS HB3 . . 4.940 3.111 2.880 3.436 . 0 0 "[ . 1 . 2]" 2
673 1 38 TYR QD 1 43 ILE HB . . 4.890 3.086 2.725 3.392 . 0 0 "[ . 1 . 2]" 2
674 1 43 ILE MG 1 47 LEU MD1 . . 4.300 3.831 3.445 4.218 . 0 0 "[ . 1 . 2]" 2
675 1 46 ALA MB 1 48 LEU H . . 4.850 4.471 4.177 4.758 . 0 0 "[ . 1 . 2]" 2
676 1 47 LEU MD1 1 63 VAL HB . . 4.560 3.515 2.784 4.575 0.015 3 0 "[ . 1 . 2]" 2
677 1 47 LEU MD2 1 53 HIS HB2 . . 4.680 3.827 2.934 4.449 . 0 0 "[ . 1 . 2]" 2
678 1 48 LEU HA 1 48 LEU MD1 . . 3.970 3.120 1.935 3.931 . 0 0 "[ . 1 . 2]" 2
679 1 54 THR MG 1 56 PRO HA . . 4.790 4.367 4.003 4.645 . 0 0 "[ . 1 . 2]" 2
680 1 60 GLN H 1 60 GLN HG2 . . 4.980 4.643 4.154 4.950 . 0 0 "[ . 1 . 2]" 2
681 1 47 LEU MD1 1 65 PRO HB3 . . 4.660 2.940 2.604 3.199 . 0 0 "[ . 1 . 2]" 2
682 1 47 LEU MD1 1 65 PRO HB2 . . 4.660 4.309 3.949 4.635 . 0 0 "[ . 1 . 2]" 2
683 1 32 PRO HB3 1 67 ALA MB . . 4.540 3.305 2.314 4.044 . 0 0 "[ . 1 . 2]" 2
684 1 32 PRO HG2 1 67 ALA MB . . 4.150 3.535 3.148 3.918 . 0 0 "[ . 1 . 2]" 2
685 1 32 PRO HB2 1 67 ALA MB . . 4.540 4.080 3.390 4.554 0.014 14 0 "[ . 1 . 2]" 2
686 1 47 LEU MD1 1 68 LEU MD1 . . 3.910 3.187 2.550 3.915 0.005 1 0 "[ . 1 . 2]" 2
687 1 13 PRO HB2 1 14 ASP HA . . 4.740 4.657 4.402 4.758 0.018 15 0 "[ . 1 . 2]" 2
688 1 15 GLU HG3 1 16 LEU MD1 . . 6.290 3.676 3.106 4.918 . 0 0 "[ . 1 . 2]" 2
689 1 15 GLU HA 1 15 GLU HG3 . . 3.970 3.763 3.416 4.113 0.143 18 0 "[ . 1 . 2]" 2
690 1 16 LEU MD1 1 17 LEU H . . 5.470 5.127 4.578 5.544 0.074 1 0 "[ . 1 . 2]" 2
691 1 17 LEU MD1 1 18 CYS H . . 5.190 4.618 4.422 4.846 . 0 0 "[ . 1 . 2]" 2
692 1 17 LEU MD1 1 24 ILE H . . 5.500 4.827 4.298 5.207 . 0 0 "[ . 1 . 2]" 2
693 1 19 LEU HB2 1 38 TYR QD . . 4.300 3.935 3.674 4.107 . 0 0 "[ . 1 . 2]" 2
694 1 19 LEU MD2 1 38 TYR QE . . 4.880 4.639 4.534 4.851 . 0 0 "[ . 1 . 2]" 2
695 1 17 LEU MD1 1 22 LYS HB2 . . 5.240 4.371 3.826 4.812 . 0 0 "[ . 1 . 2]" 2
696 1 13 PRO HD3 1 16 LEU HG . . 5.500 5.332 4.247 5.524 0.024 6 0 "[ . 1 . 2]" 2
697 1 15 GLU HG3 1 16 LEU HG . . 4.670 2.588 1.994 4.705 0.035 15 0 "[ . 1 . 2]" 2
698 1 12 ILE HG13 1 12 ILE MG . . 3.280 2.892 2.212 3.200 . 0 0 "[ . 1 . 2]" 2
699 1 13 PRO HB3 1 15 GLU H . . 5.050 4.397 3.973 4.810 . 0 0 "[ . 1 . 2]" 2
700 1 31 ILE HG13 1 68 LEU MD2 . . 3.170 2.125 1.824 2.555 . 0 0 "[ . 1 . 2]" 2
701 1 29 VAL HB 1 68 LEU MD2 . . 3.690 2.973 2.277 3.501 . 0 0 "[ . 1 . 2]" 2
702 1 19 LEU HB2 1 19 LEU MD2 . . 3.420 3.173 3.161 3.188 . 0 0 "[ . 1 . 2]" 2
703 1 12 ILE MG 1 17 LEU MD1 . . 3.560 2.966 2.090 3.533 . 0 0 "[ . 1 . 2]" 2
704 1 17 LEU MD2 1 24 ILE HG13 . . 4.050 2.756 2.257 4.051 0.001 15 0 "[ . 1 . 2]" 2
705 1 12 ILE MG 1 17 LEU MD2 . . 3.580 2.507 2.241 2.954 . 0 0 "[ . 1 . 2]" 2
706 1 18 CYS HB3 1 22 LYS HA . . 5.140 4.930 4.500 5.068 . 0 0 "[ . 1 . 2]" 2
707 1 19 LEU MD1 1 57 THR MG . . 4.120 4.050 3.608 4.151 0.031 12 0 "[ . 1 . 2]" 2
708 1 19 LEU HB2 1 19 LEU MD1 . . 3.070 2.217 2.085 2.403 . 0 0 "[ . 1 . 2]" 2
709 1 20 ILE HG12 1 20 ILE MG . . 3.670 2.307 2.226 2.401 . 0 0 "[ . 1 . 2]" 2
710 1 20 ILE MD 1 43 ILE HB . . 4.320 4.055 3.756 4.342 0.022 20 0 "[ . 1 . 2]" 2
711 1 24 ILE HG13 1 24 ILE MG . . 3.280 3.002 2.357 3.190 . 0 0 "[ . 1 . 2]" 2
712 1 17 LEU MD2 1 24 ILE MG . . 4.000 3.844 3.515 4.016 0.016 12 0 "[ . 1 . 2]" 2
713 1 26 THR HG1 1 27 ASP HA . . 4.490 4.164 4.004 4.447 . 0 0 "[ . 1 . 2]" 2
714 1 27 ASP QB 1 40 ASP HB2 . . 4.070 2.322 1.950 3.338 . 0 0 "[ . 1 . 2]" 2
715 1 27 ASP QB 1 40 ASP HB3 . . 3.570 2.723 1.945 3.263 . 0 0 "[ . 1 . 2]" 2
716 1 28 ALA MB 1 38 TYR H . . 4.650 4.392 3.270 4.662 0.012 7 0 "[ . 1 . 2]" 2
717 1 43 ILE HG12 1 43 ILE MG . . 2.920 2.222 2.097 2.361 . 0 0 "[ . 1 . 2]" 2
718 1 30 VAL HB 1 31 ILE H . . 4.930 4.263 4.011 4.357 . 0 0 "[ . 1 . 2]" 2
719 1 30 VAL MG2 1 37 SER HA . . 5.230 3.795 2.836 4.676 . 0 0 "[ . 1 . 2]" 2
720 1 31 ILE HG13 1 68 LEU HG . . 4.580 4.315 3.901 4.592 0.012 9 0 "[ . 1 . 2]" 2
721 1 31 ILE MD 1 63 VAL MG1 . . 3.480 2.178 1.878 2.813 . 0 0 "[ . 1 . 2]" 2
722 1 31 ILE MD 1 63 VAL MG2 . . 3.480 2.317 1.831 2.874 . 0 0 "[ . 1 . 2]" 2
723 1 32 PRO HG3 1 67 ALA MB . . 4.150 2.167 1.860 2.538 . 0 0 "[ . 1 . 2]" 2
724 1 32 PRO QD 1 68 LEU MD2 . . 3.540 2.331 1.913 2.833 . 0 0 "[ . 1 . 2]" 2
725 1 15 GLU HA 1 15 GLU HG2 . . 3.970 3.739 3.500 3.995 0.025 20 0 "[ . 1 . 2]" 2
726 1 33 CYS HB3 1 34 CYS H . . 4.780 3.822 3.759 3.985 . 0 0 "[ . 1 . 2]" 2
727 1 33 CYS HB2 1 34 CYS H . . 4.780 3.433 3.314 3.609 . 0 0 "[ . 1 . 2]" 2
728 1 34 CYS HB2 1 58 CYS HB3 . . 3.950 3.687 3.426 3.993 0.043 19 0 "[ . 1 . 2]" 2
729 1 28 ALA HA 1 39 CYS HA . . 4.890 4.173 3.201 4.715 . 0 0 "[ . 1 . 2]" 2
730 1 39 CYS HB2 1 41 GLU HB2 . . 5.500 5.041 4.674 5.254 . 0 0 "[ . 1 . 2]" 2
731 1 39 CYS HB2 1 41 GLU HB3 . . 5.500 4.672 3.574 5.253 . 0 0 "[ . 1 . 2]" 2
732 1 27 ASP QB 1 40 ASP HA . . 4.920 3.829 3.483 4.433 . 0 0 "[ . 1 . 2]" 2
733 1 40 ASP HA 1 41 GLU HA . . 4.650 4.632 4.616 4.663 0.013 20 0 "[ . 1 . 2]" 2
734 1 42 CYS HA 1 45 THR HB . . 3.970 3.692 3.149 3.996 0.026 16 0 "[ . 1 . 2]" 2
735 1 31 ILE MD 1 43 ILE HG12 . . 4.140 3.356 2.702 4.090 . 0 0 "[ . 1 . 2]" 2
736 1 31 ILE MD 1 43 ILE HG13 . . 4.540 3.839 3.498 4.444 . 0 0 "[ . 1 . 2]" 2
737 1 43 ILE MG 1 46 ALA MB . . 5.300 4.570 4.368 4.856 . 0 0 "[ . 1 . 2]" 2
738 1 46 ALA MB 1 47 LEU HG . . 3.940 3.265 3.077 3.446 . 0 0 "[ . 1 . 2]" 2
739 1 46 ALA MB 1 56 PRO HG2 . . 4.370 4.083 3.519 4.394 0.024 8 0 "[ . 1 . 2]" 2
740 1 43 ILE HG12 1 46 ALA MB . . 5.500 5.130 4.807 5.386 . 0 0 "[ . 1 . 2]" 2
741 1 31 ILE MD 1 46 ALA MB . . 5.500 5.109 4.604 5.450 . 0 0 "[ . 1 . 2]" 2
742 1 43 ILE HB 1 46 ALA MB . . 5.100 4.515 4.132 4.836 . 0 0 "[ . 1 . 2]" 2
743 1 45 THR MG 1 46 ALA MB . . 5.410 4.210 2.949 4.487 . 0 0 "[ . 1 . 2]" 2
744 1 46 ALA MB 1 56 PRO HG3 . . 3.780 2.658 2.078 2.925 . 0 0 "[ . 1 . 2]" 2
745 1 43 ILE HG12 1 47 LEU MD1 . . 3.990 3.723 2.884 3.990 . 0 0 "[ . 1 . 2]" 2
746 1 47 LEU MD2 1 63 VAL MG2 . . 3.910 2.963 1.798 3.919 0.009 8 0 "[ . 1 . 2]" 2
747 1 47 LEU MD2 1 63 VAL MG1 . . 3.910 2.898 1.670 3.979 0.069 16 0 "[ . 1 . 2]" 2
748 1 29 VAL HB 1 68 LEU HB2 . . 4.370 3.785 2.986 4.295 . 0 0 "[ . 1 . 2]" 2
749 1 46 ALA MB 1 56 PRO HB2 . . 4.770 4.588 3.911 4.795 0.025 19 0 "[ . 1 . 2]" 2
750 1 46 ALA MB 1 56 PRO HB3 . . 4.770 3.628 2.859 3.941 . 0 0 "[ . 1 . 2]" 2
751 1 60 GLN HA 1 60 GLN HG2 . . 4.200 3.150 2.142 3.693 . 0 0 "[ . 1 . 2]" 2
752 1 60 GLN HA 1 61 ASN HB2 . . 5.500 5.158 4.350 5.567 0.067 6 0 "[ . 1 . 2]" 2
753 1 60 GLN HA 1 61 ASN HB3 . . 5.500 5.210 4.011 5.644 0.144 18 0 "[ . 1 . 2]" 2
754 1 47 LEU MD1 1 65 PRO HG2 . . 5.330 5.195 4.915 5.348 0.018 12 0 "[ . 1 . 2]" 2
755 1 47 LEU MD1 1 65 PRO HG3 . . 4.410 4.184 3.896 4.422 0.012 17 0 "[ . 1 . 2]" 2
756 1 65 PRO HB2 1 68 LEU MD1 . . 4.920 3.709 2.991 4.450 . 0 0 "[ . 1 . 2]" 2
757 1 29 VAL HB 1 68 LEU MD1 . . 4.430 3.250 2.591 3.838 . 0 0 "[ . 1 . 2]" 2
758 1 65 PRO HB3 1 68 LEU MD1 . . 4.920 3.557 2.796 4.492 . 0 0 "[ . 1 . 2]" 2
759 1 31 ILE MD 1 68 LEU MD2 . . 3.900 3.062 2.604 3.571 . 0 0 "[ . 1 . 2]" 2
760 1 68 LEU H 1 68 LEU MD2 . . 4.870 3.209 2.748 4.008 . 0 0 "[ . 1 . 2]" 2
761 1 29 VAL MG1 1 68 LEU HB3 . . 4.210 2.796 2.268 3.323 . 0 0 "[ . 1 . 2]" 2
762 1 29 VAL MG1 1 68 LEU HB2 . . 4.210 3.490 2.969 3.985 . 0 0 "[ . 1 . 2]" 2
763 1 43 ILE HG12 1 47 LEU HG . . 4.890 4.592 3.770 4.912 0.022 16 0 "[ . 1 . 2]" 2
764 1 55 CYS HA 1 56 PRO HG3 . . 4.610 4.327 4.314 4.357 . 0 0 "[ . 1 . 2]" 2
765 1 55 CYS HA 1 56 PRO HG2 . . 4.880 4.251 4.185 4.330 . 0 0 "[ . 1 . 2]" 2
766 1 56 PRO HG2 1 57 THR HA . . 5.060 4.685 4.193 4.901 . 0 0 "[ . 1 . 2]" 2
767 1 46 ALA MB 1 56 PRO HD3 . . 4.840 2.969 2.392 3.578 . 0 0 "[ . 1 . 2]" 2
768 1 8 GLU H 1 8 GLU QB . . 3.450 2.466 2.163 2.915 . 0 0 "[ . 1 . 2]" 2
769 1 8 GLU QB 1 9 ASP H . . 3.900 3.160 2.256 3.887 . 0 0 "[ . 1 . 2]" 2
770 1 9 ASP H 1 9 ASP QB . . 3.150 2.702 2.376 3.189 0.039 7 0 "[ . 1 . 2]" 2
771 1 9 ASP QB 1 10 ASP H . . 4.000 2.965 2.350 3.828 . 0 0 "[ . 1 . 2]" 2
772 1 10 ASP H 1 10 ASP QB . . 2.930 2.628 2.134 2.921 . 0 0 "[ . 1 . 2]" 2
773 1 10 ASP QB 1 11 PRO QD . . 3.180 2.576 1.776 3.203 0.023 17 0 "[ . 1 . 2]" 2
774 1 11 PRO HA 1 12 ILE QG . . 4.690 3.848 3.477 4.683 . 0 0 "[ . 1 . 2]" 2
775 1 11 PRO QB 1 12 ILE H . . 3.020 2.525 2.187 2.759 . 0 0 "[ . 1 . 2]" 2
776 1 12 ILE H 1 12 ILE QG . . 3.150 2.188 1.891 2.896 . 0 0 "[ . 1 . 2]" 2
777 1 12 ILE HA 1 13 PRO QG . . 4.270 3.811 3.781 3.842 . 0 0 "[ . 1 . 2]" 2
778 1 12 ILE QG 1 13 PRO HD2 . . 5.190 3.675 3.232 4.380 . 0 0 "[ . 1 . 2]" 2
779 1 12 ILE QG 1 13 PRO HD3 . . 5.340 4.441 4.040 5.009 . 0 0 "[ . 1 . 2]" 2
780 1 13 PRO HA 1 14 ASP QB . . 4.470 4.249 4.109 4.469 . 0 0 "[ . 1 . 2]" 2
781 1 13 PRO QG 1 14 ASP H . . 4.730 4.204 3.898 4.417 . 0 0 "[ . 1 . 2]" 2
782 1 13 PRO QG 1 16 LEU QD . . 4.000 2.132 1.843 2.536 . 0 0 "[ . 1 . 2]" 2
783 1 13 PRO HD2 1 16 LEU QD . . 3.740 2.203 1.948 3.750 0.010 12 0 "[ . 1 . 2]" 2
784 1 13 PRO HD3 1 16 LEU QD . . 4.410 3.415 3.047 4.258 . 0 0 "[ . 1 . 2]" 2
785 1 14 ASP H 1 14 ASP QB . . 2.950 2.245 2.183 2.340 . 0 0 "[ . 1 . 2]" 2
786 1 15 GLU H 1 15 GLU QB . . 3.450 2.368 2.111 2.513 . 0 0 "[ . 1 . 2]" 2
787 1 15 GLU H 1 15 GLU QG . . 3.610 2.492 2.208 3.706 0.096 20 0 "[ . 1 . 2]" 2
788 1 15 GLU HA 1 15 GLU QG . . 3.470 3.329 3.233 3.340 . 0 0 "[ . 1 . 2]" 2
789 1 15 GLU QB 1 16 LEU H . . 4.090 3.585 3.332 3.697 . 0 0 "[ . 1 . 2]" 2
790 1 15 GLU QG 1 16 LEU H . . 4.700 2.448 2.190 3.509 . 0 0 "[ . 1 . 2]" 2
791 1 15 GLU QG 1 16 LEU HG . . 4.100 2.445 1.985 4.119 0.019 15 0 "[ . 1 . 2]" 2
792 1 15 GLU QG 1 16 LEU QD . . 3.940 2.897 1.715 3.388 . 0 0 "[ . 1 . 2]" 2
793 1 15 GLU HG2 1 16 LEU MD1 . . 6.290 4.127 3.432 5.678 . 0 0 "[ . 1 . 2]" 2
794 1 15 GLU HG3 1 16 LEU MD2 . . 6.290 3.481 1.821 4.339 . 0 0 "[ . 1 . 2]" 2
795 1 16 LEU HA 1 16 LEU QD . . 3.010 2.110 1.956 2.292 . 0 0 "[ . 1 . 2]" 2
796 1 16 LEU QB 1 16 LEU QD . . 2.760 1.895 1.824 2.044 . 0 0 "[ . 1 . 2]" 2
797 1 16 LEU QD 1 17 LEU H . . 4.550 4.310 3.881 4.524 . 0 0 "[ . 1 . 2]" 2
798 1 16 LEU QD 1 25 MET ME . . 4.210 3.735 3.229 4.217 0.007 13 0 "[ . 1 . 2]" 2
799 1 19 LEU HB2 1 36 ASN QB . . 4.660 4.409 4.179 4.660 0.000 7 0 "[ . 1 . 2]" 2
800 1 19 LEU MD1 1 36 ASN QB . . 3.500 2.698 2.224 3.002 . 0 0 "[ . 1 . 2]" 2
801 1 19 LEU MD2 1 36 ASN QB . . 5.280 5.019 4.418 5.265 . 0 0 "[ . 1 . 2]" 2
802 1 20 ILE H 1 20 ILE QG . . 3.630 3.052 2.455 3.242 . 0 0 "[ . 1 . 2]" 2
803 1 20 ILE QG 1 38 TYR QD . . 3.320 2.473 2.230 2.854 . 0 0 "[ . 1 . 2]" 2
804 1 20 ILE QG 1 42 CYS HB3 . . 4.660 3.841 3.631 4.024 . 0 0 "[ . 1 . 2]" 2
805 1 20 ILE QG 1 46 ALA MB . . 5.340 4.222 3.824 4.691 . 0 0 "[ . 1 . 2]" 2
806 1 22 LYS H 1 22 LYS QG . . 3.690 2.942 2.609 3.635 . 0 0 "[ . 1 . 2]" 2
807 1 22 LYS HA 1 22 LYS QG . . 3.590 2.744 2.239 2.988 . 0 0 "[ . 1 . 2]" 2
808 1 22 LYS HA 1 22 LYS QD . . 3.620 2.337 1.986 3.233 . 0 0 "[ . 1 . 2]" 2
809 1 23 ASP H 1 23 ASP QB . . 3.160 2.577 2.529 2.632 . 0 0 "[ . 1 . 2]" 2
810 1 23 ASP QB 1 24 ILE H . . 3.590 3.350 2.751 3.593 0.003 6 0 "[ . 1 . 2]" 2
811 1 24 ILE HB 1 24 ILE QG . . 2.560 2.424 2.186 2.504 . 0 0 "[ . 1 . 2]" 2
812 1 24 ILE QG 1 25 MET H . . 4.740 4.181 4.060 4.712 . 0 0 "[ . 1 . 2]" 2
813 1 25 MET H 1 25 MET QB . . 3.340 2.528 2.488 2.640 . 0 0 "[ . 1 . 2]" 2
814 1 25 MET QB 1 25 MET ME . . 3.130 2.327 1.973 2.744 . 0 0 "[ . 1 . 2]" 2
815 1 25 MET QB 1 26 THR H . . 4.370 3.699 3.403 3.841 . 0 0 "[ . 1 . 2]" 2
816 1 25 MET QB 1 28 ALA MB . . 3.550 2.675 1.811 3.199 . 0 0 "[ . 1 . 2]" 2
817 1 28 ALA MB 1 30 VAL QG . . 4.240 3.842 3.610 4.285 0.045 12 0 "[ . 1 . 2]" 2
818 1 29 VAL HA 1 30 VAL QG . . 4.220 3.654 3.504 3.827 . 0 0 "[ . 1 . 2]" 2
819 1 29 VAL HB 1 68 LEU QB . . 3.780 2.211 1.968 2.622 . 0 0 "[ . 1 . 2]" 2
820 1 29 VAL MG2 1 68 LEU QB . . 3.950 3.427 2.966 3.922 . 0 0 "[ . 1 . 2]" 2
821 1 30 VAL H 1 30 VAL QG . . 3.320 2.440 2.008 2.637 . 0 0 "[ . 1 . 2]" 2
822 1 30 VAL QG 1 31 ILE H . . 3.490 2.693 2.164 2.926 . 0 0 "[ . 1 . 2]" 2
823 1 30 VAL QG 1 32 PRO HA . . 4.140 3.936 3.805 4.017 . 0 0 "[ . 1 . 2]" 2
824 1 30 VAL QG 1 35 GLY H . . 4.530 4.267 3.902 4.446 . 0 0 "[ . 1 . 2]" 2
825 1 30 VAL QG 1 35 GLY QA . . 3.310 2.256 2.083 2.429 . 0 0 "[ . 1 . 2]" 2
826 1 30 VAL QG 1 37 SER HA . . 4.300 3.658 2.777 4.367 0.067 19 0 "[ . 1 . 2]" 2
827 1 30 VAL QG 1 37 SER QB . . 4.950 3.907 2.085 4.690 . 0 0 "[ . 1 . 2]" 2
828 1 30 VAL QG 1 69 SER QB . . 4.400 3.169 1.795 3.759 . 0 0 "[ . 1 . 2]" 2
829 1 31 ILE HA 1 63 VAL QG . . 4.660 4.209 3.827 4.634 . 0 0 "[ . 1 . 2]" 2
830 1 31 ILE MG 1 36 ASN QB . . 4.220 2.961 2.809 3.218 . 0 0 "[ . 1 . 2]" 2
831 1 31 ILE HG12 1 63 VAL QG . . 3.540 2.594 2.106 2.971 . 0 0 "[ . 1 . 2]" 2
832 1 31 ILE HG13 1 63 VAL QG . . 3.630 2.665 2.235 3.184 . 0 0 "[ . 1 . 2]" 2
833 1 31 ILE MD 1 55 CYS QB . . 3.970 3.068 2.389 3.626 . 0 0 "[ . 1 . 2]" 2
834 1 31 ILE MD 1 56 PRO QD . . 4.330 3.684 3.388 4.112 . 0 0 "[ . 1 . 2]" 2
835 1 31 ILE MD 1 63 VAL QG . . 2.900 1.949 1.727 2.421 . 0 0 "[ . 1 . 2]" 2
836 1 32 PRO QB 1 67 ALA MB . . 3.930 3.164 2.277 3.782 . 0 0 "[ . 1 . 2]" 2
837 1 32 PRO QG 1 33 CYS H . . 4.130 1.921 1.852 2.082 . 0 0 "[ . 1 . 2]" 2
838 1 32 PRO QG 1 63 VAL QG . . 3.900 2.917 2.376 3.640 . 0 0 "[ . 1 . 2]" 2
839 1 32 PRO QG 1 67 ALA MB . . 3.400 2.147 1.847 2.501 . 0 0 "[ . 1 . 2]" 2
840 1 32 PRO QG 1 68 LEU MD2 . . 5.350 3.765 3.267 4.302 . 0 0 "[ . 1 . 2]" 2
841 1 32 PRO QD 1 63 VAL QG . . 3.520 2.900 2.455 3.485 . 0 0 "[ . 1 . 2]" 2
842 1 33 CYS H 1 63 VAL QG . . 4.390 3.182 2.499 3.741 . 0 0 "[ . 1 . 2]" 2
843 1 33 CYS QB 1 34 CYS H . . 4.180 3.199 3.127 3.355 . 0 0 "[ . 1 . 2]" 2
844 1 33 CYS QB 1 60 GLN QB . . 3.460 2.738 2.492 2.989 . 0 0 "[ . 1 . 2]" 2
845 1 33 CYS QB 1 60 GLN QG . . 3.590 1.964 1.794 2.349 . 0 0 "[ . 1 . 2]" 2
846 1 33 CYS QB 1 63 VAL QG . . 3.460 2.379 1.926 2.859 . 0 0 "[ . 1 . 2]" 2
847 1 34 CYS H 1 35 GLY QA . . 4.080 3.767 3.744 3.814 . 0 0 "[ . 1 . 2]" 2
848 1 34 CYS QB 1 36 ASN QD . . 4.070 3.408 3.052 4.039 . 0 0 "[ . 1 . 2]" 2
849 1 34 CYS QB 1 57 THR MG . . 4.430 3.482 3.030 4.092 . 0 0 "[ . 1 . 2]" 2
850 1 34 CYS QB 1 58 CYS HB2 . . 3.810 3.480 3.070 3.769 . 0 0 "[ . 1 . 2]" 2
851 1 36 ASN H 1 36 ASN QB . . 3.400 2.789 2.689 2.981 . 0 0 "[ . 1 . 2]" 2
852 1 36 ASN QB 1 37 SER H . . 3.180 2.577 2.275 2.896 . 0 0 "[ . 1 . 2]" 2
853 1 36 ASN QB 1 38 TYR QE . . 3.840 1.986 1.922 2.134 . 0 0 "[ . 1 . 2]" 2
854 1 36 ASN QB 1 38 TYR HH . . 4.190 2.499 2.071 3.432 . 0 0 "[ . 1 . 2]" 2
855 1 36 ASN QB 1 57 THR MG . . 4.260 3.670 2.720 4.234 . 0 0 "[ . 1 . 2]" 2
856 1 41 GLU H 1 41 GLU QB . . 3.210 2.609 2.284 2.851 . 0 0 "[ . 1 . 2]" 2
857 1 41 GLU HA 1 44 ARG QG . . 4.430 3.759 2.041 4.356 . 0 0 "[ . 1 . 2]" 2
858 1 44 ARG H 1 44 ARG QB . . 3.650 2.229 2.136 2.269 . 0 0 "[ . 1 . 2]" 2
859 1 44 ARG H 1 44 ARG QG . . 4.220 3.917 2.906 4.044 . 0 0 "[ . 1 . 2]" 2
860 1 44 ARG H 1 44 ARG QD . . 4.880 4.436 3.791 4.717 . 0 0 "[ . 1 . 2]" 2
861 1 44 ARG QB 1 44 ARG QD . . 3.330 2.276 2.073 2.695 . 0 0 "[ . 1 . 2]" 2
862 1 44 ARG QB 1 45 THR H . . 3.570 2.329 2.021 3.358 . 0 0 "[ . 1 . 2]" 2
863 1 44 ARG QB 1 48 LEU QD . . 5.110 4.055 3.264 4.483 . 0 0 "[ . 1 . 2]" 2
864 1 44 ARG QB 1 68 LEU MD1 . . 4.990 4.829 4.350 5.010 0.020 14 0 "[ . 1 . 2]" 2
865 1 44 ARG QG 1 45 THR HA . . 5.020 3.778 2.919 4.857 . 0 0 "[ . 1 . 2]" 2
866 1 44 ARG QG 1 48 LEU QD . . 3.580 2.842 1.894 3.597 0.017 19 0 "[ . 1 . 2]" 2
867 1 44 ARG QD 1 48 LEU QD . . 4.390 3.389 2.138 4.412 0.022 8 0 "[ . 1 . 2]" 2
868 1 45 THR HA 1 48 LEU QB . . 3.770 2.599 2.107 2.898 . 0 0 "[ . 1 . 2]" 2
869 1 45 THR HA 1 48 LEU QD . . 4.160 2.481 1.976 3.204 . 0 0 "[ . 1 . 2]" 2
870 1 45 THR MG 1 48 LEU QD . . 4.220 3.593 3.069 4.244 0.024 16 0 "[ . 1 . 2]" 2
871 1 45 THR MG 1 49 GLU QG . . 3.750 2.345 1.777 3.418 . 0 0 "[ . 1 . 2]" 2
872 1 46 ALA HA 1 49 GLU QB . . 4.210 3.011 2.508 4.211 0.001 2 0 "[ . 1 . 2]" 2
873 1 46 ALA HA 1 49 GLU QG . . 4.630 3.163 2.016 4.368 . 0 0 "[ . 1 . 2]" 2
874 1 46 ALA MB 1 48 LEU QD . . 5.440 5.218 4.681 5.464 0.024 4 0 "[ . 1 . 2]" 2
875 1 46 ALA MB 1 56 PRO QB . . 4.060 3.495 2.792 3.768 . 0 0 "[ . 1 . 2]" 2
876 1 46 ALA MB 1 56 PRO QD . . 4.030 2.887 2.354 3.436 . 0 0 "[ . 1 . 2]" 2
877 1 47 LEU HA 1 48 LEU QD . . 4.980 4.715 4.249 5.024 0.044 19 0 "[ . 1 . 2]" 2
878 1 47 LEU HB2 1 48 LEU QD . . 4.270 3.018 2.385 3.704 . 0 0 "[ . 1 . 2]" 2
879 1 47 LEU HG 1 63 VAL QG . . 5.410 4.324 3.120 5.345 . 0 0 "[ . 1 . 2]" 2
880 1 47 LEU MD1 1 63 VAL QG . . 3.970 2.967 1.830 3.713 . 0 0 "[ . 1 . 2]" 2
881 1 47 LEU MD1 1 65 PRO QB . . 4.010 2.893 2.570 3.145 . 0 0 "[ . 1 . 2]" 2
882 1 47 LEU MD1 1 65 PRO QD . . 4.240 3.662 3.097 4.012 . 0 0 "[ . 1 . 2]" 2
883 1 47 LEU MD2 1 53 HIS QB . . 3.990 2.416 1.778 3.080 . 0 0 "[ . 1 . 2]" 2
884 1 47 LEU MD2 1 56 PRO QD . . 4.080 3.698 3.155 4.058 . 0 0 "[ . 1 . 2]" 2
885 1 47 LEU MD2 1 63 VAL QG . . 3.420 2.425 1.668 3.271 . 0 0 "[ . 1 . 2]" 2
886 1 48 LEU H 1 48 LEU QB . . 3.110 2.357 2.145 2.594 . 0 0 "[ . 1 . 2]" 2
887 1 48 LEU HA 1 48 LEU QD . . 2.960 2.323 1.889 2.830 . 0 0 "[ . 1 . 2]" 2
888 1 49 GLU H 1 49 GLU QB . . 3.090 2.403 2.125 2.632 . 0 0 "[ . 1 . 2]" 2
889 1 49 GLU H 1 49 GLU QG . . 3.750 2.518 1.967 3.702 . 0 0 "[ . 1 . 2]" 2
890 1 49 GLU HA 1 49 GLU QG . . 3.520 2.684 2.145 3.413 . 0 0 "[ . 1 . 2]" 2
891 1 49 GLU QB 1 50 SER H . . 4.160 2.453 2.054 3.567 . 0 0 "[ . 1 . 2]" 2
892 1 50 SER H 1 50 SER QB . . 3.250 2.421 2.188 2.809 . 0 0 "[ . 1 . 2]" 2
893 1 50 SER QB 1 52 GLU H . . 4.450 3.328 2.775 4.132 . 0 0 "[ . 1 . 2]" 2
894 1 51 ASP QB 1 52 GLU H . . 3.940 2.525 2.086 3.367 . 0 0 "[ . 1 . 2]" 2
895 1 51 ASP QB 1 52 GLU QG . . 4.540 3.549 2.493 4.613 0.073 3 0 "[ . 1 . 2]" 2
896 1 52 GLU QB 1 54 THR H . . 5.120 4.341 3.240 5.124 0.004 17 0 "[ . 1 . 2]" 2
897 1 53 HIS QB 1 62 ASP H . . 4.810 3.493 2.415 4.824 0.014 19 0 "[ . 1 . 2]" 2
898 1 53 HIS QB 1 62 ASP HA . . 3.730 2.216 1.780 2.736 . 0 0 "[ . 1 . 2]" 2
899 1 53 HIS QB 1 63 VAL H . . 4.020 2.557 1.950 3.581 . 0 0 "[ . 1 . 2]" 2
900 1 54 THR MG 1 55 CYS QB . . 4.370 3.700 3.383 4.034 . 0 0 "[ . 1 . 2]" 2
901 1 54 THR MG 1 56 PRO QD . . 5.350 4.809 4.285 5.113 . 0 0 "[ . 1 . 2]" 2
902 1 54 THR MG 1 59 HIS QB . . 4.540 3.952 2.730 4.542 0.002 2 0 "[ . 1 . 2]" 2
903 1 55 CYS H 1 63 VAL QG . . 4.430 3.299 2.458 4.130 . 0 0 "[ . 1 . 2]" 2
904 1 55 CYS HA 1 56 PRO QD . . 3.170 1.920 1.880 1.970 . 0 0 "[ . 1 . 2]" 2
905 1 55 CYS QB 1 58 CYS HB2 . . 5.340 4.507 3.987 5.015 . 0 0 "[ . 1 . 2]" 2
906 1 55 CYS QB 1 59 HIS H . . 5.060 4.555 1.933 5.042 . 0 0 "[ . 1 . 2]" 2
907 1 55 CYS QB 1 59 HIS HA . . 4.560 4.155 3.011 4.441 . 0 0 "[ . 1 . 2]" 2
908 1 55 CYS QB 1 60 GLN H . . 3.720 2.884 1.891 3.367 . 0 0 "[ . 1 . 2]" 2
909 1 55 CYS QB 1 60 GLN QB . . 4.510 2.218 1.873 2.593 . 0 0 "[ . 1 . 2]" 2
910 1 55 CYS QB 1 63 VAL QG . . 3.700 2.840 2.332 3.572 . 0 0 "[ . 1 . 2]" 2
911 1 56 PRO QD 1 57 THR H . . 4.020 2.905 2.612 3.091 . 0 0 "[ . 1 . 2]" 2
912 1 60 GLN H 1 60 GLN QG . . 4.380 4.131 3.722 4.309 . 0 0 "[ . 1 . 2]" 2
913 1 60 GLN HA 1 60 GLN QE . . 4.280 3.032 1.900 4.138 . 0 0 "[ . 1 . 2]" 2
914 1 60 GLN HA 1 61 ASN QB . . 4.770 4.529 3.919 4.741 . 0 0 "[ . 1 . 2]" 2
915 1 60 GLN QB 1 63 VAL QG . . 3.700 2.489 1.839 3.298 . 0 0 "[ . 1 . 2]" 2
916 1 60 GLN QG 1 61 ASN H . . 3.680 2.209 1.843 3.492 . 0 0 "[ . 1 . 2]" 2
917 1 60 GLN QG 1 61 ASN QB . . 5.180 4.520 3.983 5.082 . 0 0 "[ . 1 . 2]" 2
918 1 60 GLN QG 1 63 VAL QG . . 3.510 2.214 1.710 3.536 0.026 14 0 "[ . 1 . 2]" 2
919 1 60 GLN QE 1 61 ASN QD . . 3.310 2.837 1.811 3.358 0.048 9 0 "[ . 1 . 2]" 2
920 1 60 GLN QE 1 63 VAL QG . . 4.510 3.613 1.587 4.473 . 0 0 "[ . 1 . 2]" 2
921 1 61 ASN H 1 61 ASN QB . . 3.190 2.879 2.338 3.263 0.073 5 0 "[ . 1 . 2]" 2
922 1 61 ASN QB 1 61 ASN QD . . 3.070 2.280 2.063 2.575 . 0 0 "[ . 1 . 2]" 2
923 1 61 ASN QB 1 62 ASP H . . 3.720 3.056 2.036 3.678 . 0 0 "[ . 1 . 2]" 2
924 1 63 VAL H 1 63 VAL QG . . 3.500 2.306 1.866 2.830 . 0 0 "[ . 1 . 2]" 2
925 1 63 VAL QG 1 64 SER H . . 3.550 2.348 1.869 3.503 . 0 0 "[ . 1 . 2]" 2
926 1 63 VAL QG 1 67 ALA MB . . 4.750 3.986 3.260 4.478 . 0 0 "[ . 1 . 2]" 2
927 1 64 SER H 1 64 SER QB . . 3.190 2.391 2.219 2.726 . 0 0 "[ . 1 . 2]" 2
928 1 64 SER QB 1 66 ASP H . . 4.330 2.970 2.283 4.027 . 0 0 "[ . 1 . 2]" 2
929 1 64 SER QB 1 67 ALA H . . 3.920 2.935 2.282 3.910 . 0 0 "[ . 1 . 2]" 2
930 1 64 SER QB 1 67 ALA MB . . 3.550 2.618 1.948 3.317 . 0 0 "[ . 1 . 2]" 2
931 1 65 PRO QB 1 68 LEU MD1 . . 4.050 3.224 2.568 3.970 . 0 0 "[ . 1 . 2]" 2
932 1 65 PRO QD 1 66 ASP H . . 4.000 2.807 2.601 3.095 . 0 0 "[ . 1 . 2]" 2
933 1 66 ASP H 1 66 ASP QB . . 3.560 2.422 2.131 2.908 . 0 0 "[ . 1 . 2]" 2
934 1 66 ASP QB 1 67 ALA H . . 3.860 2.945 2.377 3.849 . 0 0 "[ . 1 . 2]" 2
935 1 68 LEU QB 1 69 SER H . . 3.630 2.734 2.367 3.304 . 0 0 "[ . 1 . 2]" 2
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