Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
477925 | 2kny RC | 16483 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kny
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 6
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 1837.054
_Distance_constraint_stats_list.Viol_max 2.466
_Distance_constraint_stats_list.Viol_rms 0.8393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7654
_Distance_constraint_stats_list.Viol_average_violations_only 0.7654
_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 27 TRP 4.137 0.246 7 0 "[ . 1 . 2]"
1 30 ASP 14.050 2.169 3 7 "[ + * -1* .** *]"
1 32 ASP 4.096 0.263 8 0 "[ . 1 . 2]"
1 34 ASP 25.678 2.466 6 12 "[- **+ ******.** 2]"
1 40 ASP 36.417 2.456 9 16 "[ * ***- +1**********]"
1 41 GLU 7.474 1.736 18 2 "[- . 1 . + 2]"
2 1 CA 91.853 2.466 6 19 "[*****+* -***********]"
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 27 TRP O 2 1 CA CA 1.800 . 2.500 2.707 2.654 2.746 0.246 7 0 "[ . 1 . 2]" 1
2 1 30 ASP OD2 2 1 CA CA 1.800 . 2.500 3.203 2.725 4.669 2.169 3 7 "[ + * -1* .** *]" 1
3 1 32 ASP O 2 1 CA CA 1.800 . 2.500 2.705 2.619 2.763 0.263 8 0 "[ . 1 . 2]" 1
4 1 34 ASP OD1 2 1 CA CA 1.800 . 2.500 3.784 2.755 4.966 2.466 6 12 "[- **+ ******.** 2]" 1
5 1 40 ASP OD1 2 1 CA CA 1.800 . 2.500 4.321 2.721 4.956 2.456 9 16 "[ * ***- +1**********]" 1
6 1 41 GLU OE2 2 1 CA CA 1.800 . 2.500 2.874 2.692 4.236 1.736 18 2 "[- . 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 2007
_Distance_constraint_stats_list.Viol_count 4471
_Distance_constraint_stats_list.Viol_total 9761.714
_Distance_constraint_stats_list.Viol_max 0.930
_Distance_constraint_stats_list.Viol_rms 0.0493
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0122
_Distance_constraint_stats_list.Viol_average_violations_only 0.1092
_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 1 GLY 0.943 0.203 11 0 "[ . 1 . 2]"
1 2 SER 3.939 0.703 10 2 "[ . +- . 2]"
1 5 GLU 12.786 0.455 19 0 "[ . 1 . 2]"
1 6 GLY 6.037 0.535 16 1 "[ . 1 .+ 2]"
1 7 LYS 23.684 0.921 10 10 "[ ** .* + *.**-**]"
1 8 THR 9.746 0.724 10 2 "[ - . + . 2]"
1 9 CYS 13.816 0.371 5 0 "[ . 1 . 2]"
1 10 GLY 0.055 0.030 1 0 "[ . 1 . 2]"
1 11 PRO 12.775 0.499 17 0 "[ . 1 . 2]"
1 12 SER 10.239 0.810 20 5 "[ .* 1 * .-* +]"
1 13 SER 12.517 0.352 10 0 "[ . 1 . 2]"
1 14 PHE 24.372 0.485 8 0 "[ . 1 . 2]"
1 15 SER 13.178 0.389 10 0 "[ . 1 . 2]"
1 16 CYS 26.844 0.485 8 0 "[ . 1 . 2]"
1 17 PRO 22.781 0.485 8 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 THR 11.808 0.343 12 0 "[ . 1 . 2]"
1 20 HIS 8.172 0.232 8 0 "[ . 1 . 2]"
1 21 VAL 24.204 0.526 5 1 "[ + 1 . 2]"
1 22 CYS 10.077 0.368 8 0 "[ . 1 . 2]"
1 23 VAL 33.568 0.629 3 1 "[ + . 1 . 2]"
1 24 PRO 18.747 0.384 15 0 "[ . 1 . 2]"
1 25 GLU 18.809 0.810 20 5 "[ .* 1 * .-* +]"
1 26 ARG 27.113 0.879 1 1 "[+ . 1 . 2]"
1 27 TRP 29.521 0.703 10 2 "[ . +- . 2]"
1 28 LEU 41.202 0.639 2 3 "[ + * -1 . 2]"
1 29 CYS 21.050 0.915 2 3 "[ + * -1 . 2]"
1 30 ASP 14.877 0.700 10 2 "[ . - + . 2]"
1 31 GLY 4.947 0.236 17 0 "[ . 1 . 2]"
1 32 ASP 14.072 0.703 10 3 "[ . * +- . 2]"
1 33 LYS 33.433 0.485 8 0 "[ . 1 . 2]"
1 34 ASP 11.933 0.552 10 1 "[ . + . 2]"
1 35 CYS 17.038 0.552 10 1 "[ . + . 2]"
1 36 ALA 9.664 0.225 3 0 "[ . 1 . 2]"
1 37 ASP 4.915 0.284 14 0 "[ . 1 . 2]"
1 38 GLY 13.549 0.603 1 2 "[+ - 1 . 2]"
1 39 ALA 13.612 0.468 7 0 "[ . 1 . 2]"
1 40 ASP 15.653 0.915 2 4 "[ +* - *1 . 2]"
1 41 GLU 41.698 0.603 1 2 "[+ - 1 . 2]"
1 42 SER 29.491 0.444 7 0 "[ . 1 . 2]"
1 43 ILE 38.876 0.410 16 0 "[ . 1 . 2]"
1 44 ALA 13.792 0.248 12 0 "[ . 1 . 2]"
1 45 ALA 20.288 0.443 12 0 "[ . 1 . 2]"
1 46 GLY 6.649 0.258 16 0 "[ . 1 . 2]"
1 47 CYS 21.074 0.398 12 0 "[ . 1 . 2]"
1 48 LEU 12.480 0.299 2 0 "[ . 1 . 2]"
1 49 TYR 27.416 0.724 10 2 "[ - . + . 2]"
1 50 ASN 20.566 0.444 7 0 "[ . 1 . 2]"
1 51 SER 8.833 0.467 8 0 "[ . 1 . 2]"
1 52 THR 6.852 0.724 10 2 "[ - . + . 2]"
1 53 GLY 1.168 0.184 6 0 "[ . 1 . 2]"
1 54 SER 7.606 0.703 10 2 "[ . +- . 2]"
1 55 GLY 2.350 0.358 20 0 "[ . 1 . 2]"
1 56 SER 10.665 0.703 10 2 "[ . +- . 2]"
1 57 GLY 5.600 0.358 20 0 "[ . 1 . 2]"
1 58 SER 4.009 0.264 5 0 "[ . 1 . 2]"
1 59 GLY 5.582 0.358 20 0 "[ . 1 . 2]"
1 60 SER 4.928 0.241 5 0 "[ . 1 . 2]"
1 61 THR 9.449 0.257 5 0 "[ . 1 . 2]"
1 62 GLU 13.052 0.411 6 0 "[ . 1 . 2]"
1 63 GLU 10.142 0.384 6 0 "[ . 1 . 2]"
1 64 LEU 18.411 0.366 13 0 "[ . 1 . 2]"
1 65 ARG 18.239 0.384 6 0 "[ . 1 . 2]"
1 66 VAL 31.750 0.700 10 2 "[ - + . 2]"
1 67 ARG 16.490 0.384 6 0 "[ . 1 . 2]"
1 68 LEU 12.446 0.499 17 0 "[ . 1 . 2]"
1 69 ALA 20.153 0.435 12 0 "[ . 1 . 2]"
1 70 SER 13.288 0.879 1 2 "[+ . * . 2]"
1 71 HIS 16.691 0.439 16 0 "[ . 1 . 2]"
1 72 LEU 14.133 0.358 13 0 "[ . 1 . 2]"
1 73 ARG 18.910 0.768 17 3 "[ - 1 . + *]"
1 74 LYS 20.324 0.930 5 1 "[ + 1 . 2]"
1 75 LEU 8.806 0.414 13 0 "[ . 1 . 2]"
1 76 ARG 14.226 0.678 8 5 "[ * . + * * - 2]"
1 77 LYS 11.140 0.535 16 1 "[ . 1 .+ 2]"
1 78 ARG 4.835 0.499 17 0 "[ . 1 . 2]"
1 79 LEU 3.426 0.499 17 0 "[ . 1 . 2]"
1 80 LEU 5.271 0.357 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 LEU QB 1 49 TYR QD 3.358 . 4.767 2.629 2.403 2.857 . 0 0 "[ . 1 . 2]" 2
2 1 49 TYR QE 1 62 GLU HA 3.223 . 4.522 4.194 3.763 4.615 0.093 12 0 "[ . 1 . 2]" 2
3 1 41 GLU HB2 1 49 TYR QE 3.000 . 5.675 5.033 4.172 5.807 0.132 9 0 "[ . 1 . 2]" 2
4 1 48 LEU QB 1 49 TYR QE 3.123 . 4.342 3.880 3.269 4.286 . 0 0 "[ . 1 . 2]" 2
5 1 48 LEU MD2 1 49 TYR QE 2.658 . 3.541 3.603 3.092 3.815 0.274 15 0 "[ . 1 . 2]" 2
6 1 22 CYS HA 1 22 CYS HB3 2.803 . 3.785 2.375 2.241 2.732 . 0 0 "[ . 1 . 2]" 2
7 1 22 CYS HA 1 22 CYS HB2 2.819 . 3.812 2.609 2.400 2.932 . 0 0 "[ . 1 . 2]" 2
8 1 27 TRP HA 1 27 TRP HD1 2.558 . 3.376 2.755 2.489 2.961 . 0 0 "[ . 1 . 2]" 2
9 1 27 TRP HA 1 27 TRP HB2 2.817 . 3.809 3.022 3.014 3.027 . 0 0 "[ . 1 . 2]" 2
10 1 27 TRP HA 1 27 TRP HB3 2.886 . 3.927 2.478 2.428 2.600 . 0 0 "[ . 1 . 2]" 2
11 1 35 CYS HA 1 35 CYS HB3 2.506 . 3.291 2.659 2.552 2.949 . 0 0 "[ . 1 . 2]" 2
12 1 35 CYS HA 1 35 CYS HB2 2.572 . 3.399 2.967 2.728 3.016 . 0 0 "[ . 1 . 2]" 2
13 1 13 SER HA 1 24 PRO HA 2.482 . 3.252 1.901 1.728 2.191 . 0 0 "[ . 1 . 2]" 2
14 1 30 ASP HA 1 66 VAL MG1 3.003 . 4.130 2.816 2.398 3.324 . 0 0 "[ . 1 . 2]" 2
15 1 14 PHE QE 1 16 CYS HA 3.060 . 4.231 3.243 2.851 3.537 . 0 0 "[ . 1 . 2]" 2
16 1 36 ALA HA 1 37 ASP HA 3.370 . 4.790 4.535 4.528 4.551 . 0 0 "[ . 1 . 2]" 2
17 1 37 ASP HA 1 37 ASP HB2 2.266 . 6.000 2.919 2.704 3.026 . 0 0 "[ . 1 . 2]" 2
18 1 37 ASP HA 1 37 ASP HB3 2.272 . 2.917 2.696 2.417 2.957 0.040 15 0 "[ . 1 . 2]" 2
19 1 34 ASP HA 1 34 ASP HB3 2.526 . 3.324 2.640 2.458 2.859 . 0 0 "[ . 1 . 2]" 2
20 1 34 ASP HA 1 34 ASP HB2 2.607 . 3.456 2.875 2.373 3.025 . 0 0 "[ . 1 . 2]" 2
21 1 49 TYR HA 1 49 TYR QD 2.345 . 6.000 3.721 3.694 3.743 . 0 0 "[ . 1 . 2]" 2
22 1 49 TYR HA 1 49 TYR QE 2.927 . 6.000 5.645 5.628 5.659 . 0 0 "[ . 1 . 2]" 2
23 1 48 LEU HA 1 49 TYR HA 3.252 . 4.574 4.422 4.306 4.568 . 0 0 "[ . 1 . 2]" 2
24 1 49 TYR HA 1 49 TYR HB3 2.217 . 2.831 2.450 2.352 2.507 . 0 0 "[ . 1 . 2]" 2
25 1 49 TYR HA 1 49 TYR HB2 2.292 . 2.949 2.457 2.407 2.547 . 0 0 "[ . 1 . 2]" 2
26 1 43 ILE MD 1 49 TYR HA 2.845 . 3.857 2.936 2.495 3.407 . 0 0 "[ . 1 . 2]" 2
27 1 29 CYS HA 1 49 TYR QE 3.094 . 4.291 4.366 4.087 4.641 0.350 6 0 "[ . 1 . 2]" 2
28 1 29 CYS HA 1 41 GLU HA 2.622 . 3.481 3.165 3.009 3.477 . 0 0 "[ . 1 . 2]" 2
29 1 29 CYS HA 1 29 CYS HB3 2.541 . 3.348 2.363 2.288 2.642 . 0 0 "[ . 1 . 2]" 2
30 1 49 TYR QE 1 56 SER HA 3.060 . 4.231 3.295 2.077 4.178 . 0 0 "[ . 1 . 2]" 2
31 1 50 ASN HB3 1 51 SER HA 2.665 . 6.000 4.764 3.808 6.004 0.004 1 0 "[ . 1 . 2]" 2
32 1 50 ASN HB2 1 51 SER HA 3.138 . 6.000 5.725 4.935 6.320 0.320 1 0 "[ . 1 . 2]" 2
33 1 56 SER HA 1 62 GLU QG 3.233 . 4.539 2.837 1.917 3.681 0.010 15 0 "[ . 1 . 2]" 2
34 1 56 SER HA 1 62 GLU QB 2.847 . 3.860 3.595 2.463 4.058 0.198 20 0 "[ . 1 . 2]" 2
35 1 51 SER HA 1 52 THR MG 2.897 . 6.000 4.482 3.361 5.356 . 0 0 "[ . 1 . 2]" 2
36 1 10 GLY QA 1 11 PRO HA 3.094 . 4.291 4.063 4.032 4.117 . 0 0 "[ . 1 . 2]" 2
37 1 11 PRO HA 1 11 PRO QD 2.758 . 3.709 3.383 3.045 3.522 . 0 0 "[ . 1 . 2]" 2
38 1 11 PRO HA 1 11 PRO HB3 2.261 . 2.900 2.285 2.263 2.322 . 0 0 "[ . 1 . 2]" 2
39 1 7 LYS HA 1 7 LYS QB 2.227 . 2.847 2.360 2.164 2.541 . 0 0 "[ . 1 . 2]" 2
40 1 7 LYS HA 1 7 LYS HG3 2.298 . 3.358 3.447 2.363 4.237 0.879 6 4 "[ .+ 1 -. * *]" 2
41 1 79 LEU HA 1 79 LEU QB 1.943 . 2.415 2.406 2.301 2.538 0.123 20 0 "[ . 1 . 2]" 2
42 1 79 LEU HA 1 79 LEU MD1 2.000 . 2.500 2.187 1.937 2.528 0.028 20 0 "[ . 1 . 2]" 2
43 1 51 SER HB3 1 52 THR HA 3.080 . 4.266 4.115 3.676 4.655 0.389 6 0 "[ . 1 . 2]" 2
44 1 52 THR HA 1 52 THR MG 2.052 . 2.578 2.426 2.119 2.619 0.041 12 0 "[ . 1 . 2]" 2
45 1 42 SER HA 1 42 SER HB3 2.154 . 2.734 2.496 2.328 2.721 . 0 0 "[ . 1 . 2]" 2
46 1 42 SER HB3 1 44 ALA MB 3.247 . 4.565 3.162 2.735 3.598 . 0 0 "[ . 1 . 2]" 2
47 1 42 SER HB3 1 43 ILE MG 3.667 . 5.348 3.346 3.217 3.636 . 0 0 "[ . 1 . 2]" 2
48 1 19 THR HA 1 19 THR HB 2.156 . 2.737 2.547 2.512 2.630 . 0 0 "[ . 1 . 2]" 2
49 1 19 THR HB 1 21 VAL HB 3.322 . 4.701 3.492 3.347 3.587 . 0 0 "[ . 1 . 2]" 2
50 1 61 THR HB 1 62 GLU QB 3.098 . 4.297 4.273 4.115 4.554 0.257 5 0 "[ . 1 . 2]" 2
51 1 61 THR HB 1 61 THR MG 1.789 . 2.189 2.090 2.075 2.102 . 0 0 "[ . 1 . 2]" 2
52 1 24 PRO HA 1 24 PRO HD2 3.501 . 5.033 3.928 3.915 3.987 . 0 0 "[ . 1 . 2]" 2
53 1 5 GLU HA 1 6 GLY QA 3.209 . 4.497 4.032 3.889 4.338 . 0 0 "[ . 1 . 2]" 2
54 1 5 GLU HA 1 5 GLU QG 2.271 . 3.166 3.223 2.585 3.394 0.228 1 0 "[ . 1 . 2]" 2
55 1 5 GLU HA 1 5 GLU HB2 2.045 . 2.568 2.586 2.364 3.023 0.455 19 0 "[ . 1 . 2]" 2
56 1 76 ARG HA 1 76 ARG QD 2.291 . 2.947 2.411 1.907 3.087 0.140 1 0 "[ . 1 . 2]" 2
57 1 14 PHE QE 1 45 ALA HA 2.909 . 3.966 2.861 2.673 3.079 . 0 0 "[ . 1 . 2]" 2
58 1 44 ALA MB 1 45 ALA HA 2.959 . 4.054 3.916 3.864 3.968 . 0 0 "[ . 1 . 2]" 2
59 1 28 LEU MD1 1 45 ALA HA 3.219 . 4.514 4.350 3.896 4.547 0.033 3 0 "[ . 1 . 2]" 2
60 1 14 PHE QD 1 45 ALA HA 3.138 . 4.369 2.999 2.594 3.392 . 0 0 "[ . 1 . 2]" 2
61 1 61 THR HA 1 61 THR MG 2.066 . 2.599 2.130 2.044 2.251 . 0 0 "[ . 1 . 2]" 2
62 1 68 LEU MD1 1 69 ALA HA 2.362 . 3.059 2.631 2.195 3.162 0.103 17 0 "[ . 1 . 2]" 2
63 1 17 PRO HA 1 17 PRO HB3 2.244 . 2.873 2.292 2.272 2.311 . 0 0 "[ . 1 . 2]" 2
64 1 16 CYS HA 1 17 PRO HA 3.370 . 4.790 4.496 4.455 4.527 . 0 0 "[ . 1 . 2]" 2
65 1 26 ARG QD 1 70 SER HA 2.743 . 3.683 2.880 1.968 3.967 0.284 6 0 "[ . 1 . 2]" 2
66 1 26 ARG HB2 1 70 SER HA 2.374 . 3.579 3.213 2.433 4.140 0.561 1 1 "[+ . 1 . 2]" 2
67 1 26 ARG QG 1 70 SER HA 2.826 . 3.825 2.194 1.722 3.392 0.105 6 0 "[ . 1 . 2]" 2
68 1 67 ARG HA 1 67 ARG QG 2.295 . 2.953 2.301 1.999 2.554 . 0 0 "[ . 1 . 2]" 2
69 1 62 GLU HA 1 62 GLU QB 1.973 . 2.460 2.404 2.289 2.524 0.064 19 0 "[ . 1 . 2]" 2
70 1 61 THR MG 1 62 GLU HA 3.228 . 4.530 4.326 3.919 4.579 0.049 2 0 "[ . 1 . 2]" 2
71 1 14 PHE QE 1 17 PRO HD2 3.051 . 4.214 2.873 2.526 3.399 . 0 0 "[ . 1 . 2]" 2
72 1 16 CYS HA 1 17 PRO HD2 2.684 . 3.584 2.413 2.175 2.655 . 0 0 "[ . 1 . 2]" 2
73 1 16 CYS HB3 1 17 PRO HD2 3.175 . 4.435 3.922 3.391 4.434 . 0 0 "[ . 1 . 2]" 2
74 1 8 THR HB 1 13 SER QB 3.446 . 6.290 6.196 5.052 6.537 0.247 3 0 "[ . 1 . 2]" 2
75 1 8 THR HA 1 8 THR HB 2.018 . 2.527 2.340 2.238 2.437 . 0 0 "[ . 1 . 2]" 2
76 1 73 ARG HA 1 73 ARG QD 2.399 . 3.118 2.019 1.820 2.472 . 0 0 "[ . 1 . 2]" 2
77 1 72 LEU MD2 1 73 ARG HA 2.330 . 3.009 3.121 3.043 3.174 0.165 4 0 "[ . 1 . 2]" 2
78 1 43 ILE HA 1 47 CYS HB3 3.510 . 5.050 3.606 3.039 4.236 . 0 0 "[ . 1 . 2]" 2
79 1 43 ILE HA 1 43 ILE HG13 2.577 . 6.000 2.579 2.460 2.772 . 0 0 "[ . 1 . 2]" 2
80 1 43 ILE HA 1 46 GLY HA2 3.769 . 5.545 3.629 3.474 3.801 . 0 0 "[ . 1 . 2]" 2
81 1 33 LYS HB3 1 38 GLY HA2 2.859 . 3.881 1.918 1.803 2.006 0.034 7 0 "[ . 1 . 2]" 2
82 1 67 ARG QG 1 70 SER HB3 3.175 . 4.435 4.067 3.008 4.605 0.170 14 0 "[ . 1 . 2]" 2
83 1 12 SER HA 1 12 SER QB 1.930 . 2.396 2.310 2.164 2.517 0.121 4 0 "[ . 1 . 2]" 2
84 1 11 PRO QD 1 12 SER QB 3.252 . 6.000 5.615 5.047 6.073 0.073 1 0 "[ . 1 . 2]" 2
85 1 12 SER QB 1 25 GLU QG 2.823 . 3.819 3.717 3.314 3.939 0.120 14 0 "[ . 1 . 2]" 2
86 1 39 ALA MB 1 42 SER HB2 2.937 . 4.015 3.537 3.409 3.721 . 0 0 "[ . 1 . 2]" 2
87 1 42 SER HB2 1 44 ALA MB 3.257 . 4.583 2.881 2.566 3.389 . 0 0 "[ . 1 . 2]" 2
88 1 42 SER HB2 1 43 ILE MG 3.783 . 5.572 4.500 4.174 4.956 . 0 0 "[ . 1 . 2]" 2
89 1 66 VAL MG1 1 70 SER HB2 3.008 . 4.139 3.873 3.068 4.320 0.181 4 0 "[ . 1 . 2]" 2
90 1 70 SER HA 1 70 SER HB2 1.842 . 2.266 2.303 2.230 2.466 0.200 19 0 "[ . 1 . 2]" 2
91 1 26 ARG QD 1 70 SER HB2 3.011 . 4.144 2.205 1.792 3.337 0.086 3 0 "[ . 1 . 2]" 2
92 1 26 ARG HB2 1 70 SER HB2 2.798 . 4.476 3.838 3.192 5.355 0.879 1 1 "[+ . 1 . 2]" 2
93 1 65 ARG HG3 1 66 VAL HA 2.576 . 3.406 3.422 3.217 3.625 0.219 3 0 "[ . 1 . 2]" 2
94 1 51 SER HB2 1 52 THR MG 3.080 . 4.266 3.908 2.365 4.343 0.077 10 0 "[ . 1 . 2]" 2
95 1 27 TRP HB2 1 27 TRP HE3 3.294 . 4.650 3.264 2.993 3.397 . 0 0 "[ . 1 . 2]" 2
96 1 27 TRP HB2 1 27 TRP HD1 3.545 . 5.116 3.414 3.312 3.591 . 0 0 "[ . 1 . 2]" 2
97 1 23 VAL HB 1 27 TRP HB2 3.417 . 4.877 4.461 4.313 4.731 . 0 0 "[ . 1 . 2]" 2
98 1 14 PHE QE 1 17 PRO HD3 3.134 . 4.362 2.321 2.015 2.576 . 0 0 "[ . 1 . 2]" 2
99 1 16 CYS HA 1 17 PRO HD3 2.658 . 3.541 2.009 1.836 2.259 . 0 0 "[ . 1 . 2]" 2
100 1 14 PHE HB3 1 25 GLU HA 3.358 . 4.767 3.873 3.310 4.156 . 0 0 "[ . 1 . 2]" 2
101 1 25 GLU HA 1 25 GLU QG 2.582 . 3.416 2.183 2.016 2.250 . 0 0 "[ . 1 . 2]" 2
102 1 25 GLU HA 1 25 GLU HB3 2.454 . 3.207 2.933 2.913 2.962 . 0 0 "[ . 1 . 2]" 2
103 1 25 GLU HA 1 28 LEU HB2 2.428 . 4.485 3.079 2.595 3.511 . 0 0 "[ . 1 . 2]" 2
104 1 14 PHE QE 1 40 ASP HA 3.134 . 4.362 2.880 2.356 3.458 . 0 0 "[ . 1 . 2]" 2
105 1 14 PHE QD 1 40 ASP HA 3.283 . 4.630 2.551 2.117 2.832 . 0 0 "[ . 1 . 2]" 2
106 1 28 LEU HA 1 40 ASP HA 3.067 . 4.243 3.193 2.707 3.531 . 0 0 "[ . 1 . 2]" 2
107 1 40 ASP HA 1 40 ASP HB2 2.562 . 3.383 2.469 2.321 2.795 . 0 0 "[ . 1 . 2]" 2
108 1 28 LEU HG 1 40 ASP HA 3.123 . 4.342 2.998 2.505 3.689 . 0 0 "[ . 1 . 2]" 2
109 1 35 CYS HB3 1 39 ALA MB 3.038 . 4.192 2.467 2.359 2.616 . 0 0 "[ . 1 . 2]" 2
110 1 10 GLY QA 1 11 PRO QD 2.063 . 2.595 2.103 1.906 2.301 . 0 0 "[ . 1 . 2]" 2
111 1 33 LYS HB3 1 38 GLY HA3 2.897 . 3.946 2.645 2.496 2.855 . 0 0 "[ . 1 . 2]" 2
112 1 33 LYS HG2 1 38 GLY HA3 3.008 . 4.139 1.971 1.897 2.133 . 0 0 "[ . 1 . 2]" 2
113 1 9 CYS HA 1 13 SER QB 2.828 . 3.828 2.081 1.837 2.595 . 0 0 "[ . 1 . 2]" 2
114 1 13 SER QB 1 24 PRO HA 2.915 . 3.978 2.695 2.168 3.307 . 0 0 "[ . 1 . 2]" 2
115 1 13 SER HA 1 13 SER QB 2.230 . 2.851 2.339 2.176 2.540 . 0 0 "[ . 1 . 2]" 2
116 1 13 SER QB 1 22 CYS HA 3.563 . 5.150 5.130 4.631 5.320 0.170 13 0 "[ . 1 . 2]" 2
117 1 15 SER HB2 1 22 CYS HA 3.278 . 4.621 4.244 3.516 4.789 0.168 17 0 "[ . 1 . 2]" 2
118 1 15 SER HA 1 15 SER HB2 2.288 . 2.943 2.567 2.236 2.948 0.005 17 0 "[ . 1 . 2]" 2
119 1 15 SER HB2 1 22 CYS HB2 3.583 . 5.187 4.715 4.056 5.357 0.170 9 0 "[ . 1 . 2]" 2
120 1 48 LEU MD2 1 65 ARG QD 1.914 . 2.372 1.802 1.720 1.916 . 0 0 "[ . 1 . 2]" 2
121 1 9 CYS HB3 1 13 SER QB 2.678 . 6.000 3.540 3.016 4.247 . 0 0 "[ . 1 . 2]" 2
122 1 27 TRP HA 1 30 ASP HB3 3.339 . 4.733 2.262 1.945 2.553 . 0 0 "[ . 1 . 2]" 2
123 1 20 HIS HB2 1 20 HIS HD2 3.510 . 5.050 3.746 2.789 3.921 . 0 0 "[ . 1 . 2]" 2
124 1 29 CYS HB2 1 47 CYS HA 3.283 . 4.630 4.746 4.289 4.855 0.225 2 0 "[ . 1 . 2]" 2
125 1 29 CYS HB2 1 66 VAL HB 3.219 . 4.514 4.121 3.645 4.664 0.150 9 0 "[ . 1 . 2]" 2
126 1 49 TYR HB3 1 49 TYR QD 2.384 . 3.095 2.340 2.291 2.434 . 0 0 "[ . 1 . 2]" 2
127 1 43 ILE MD 1 49 TYR HB3 3.094 . 4.441 4.407 4.110 4.851 0.410 16 0 "[ . 1 . 2]" 2
128 1 27 TRP HB3 1 27 TRP HE3 3.554 . 5.133 2.663 2.544 2.882 . 0 0 "[ . 1 . 2]" 2
129 1 23 VAL MG2 1 27 TRP HB3 2.997 . 4.120 2.305 2.012 2.546 . 0 0 "[ . 1 . 2]" 2
130 1 29 CYS HB3 1 47 CYS HB3 3.166 . 6.000 4.918 4.044 5.415 . 0 0 "[ . 1 . 2]" 2
131 1 14 PHE HB3 1 14 PHE QD 3.026 . 4.171 2.275 2.264 2.313 . 0 0 "[ . 1 . 2]" 2
132 1 14 PHE HA 1 14 PHE HB3 2.906 . 3.962 3.016 3.003 3.024 . 0 0 "[ . 1 . 2]" 2
133 1 14 PHE HB3 1 28 LEU MD2 3.223 . 4.522 3.124 2.881 3.693 . 0 0 "[ . 1 . 2]" 2
134 1 14 PHE HB3 1 23 VAL MG1 3.051 . 4.214 2.371 2.016 2.661 . 0 0 "[ . 1 . 2]" 2
135 1 14 PHE HB2 1 14 PHE QD 3.054 . 4.220 2.569 2.475 2.634 . 0 0 "[ . 1 . 2]" 2
136 1 14 PHE HB2 1 28 LEU MD2 3.257 . 4.583 2.688 2.515 2.989 . 0 0 "[ . 1 . 2]" 2
137 1 49 TYR HB2 1 49 TYR QD 2.382 . 3.091 2.478 2.359 2.580 . 0 0 "[ . 1 . 2]" 2
138 1 16 CYS HA 1 16 CYS HB2 2.972 . 4.076 2.889 2.553 2.988 . 0 0 "[ . 1 . 2]" 2
139 1 50 ASN HA 1 50 ASN HB3 2.246 . 2.877 2.983 2.431 3.024 0.147 5 0 "[ . 1 . 2]" 2
140 1 43 ILE MD 1 50 ASN HB3 3.273 . 4.812 4.671 3.812 4.966 0.154 4 0 "[ . 1 . 2]" 2
141 1 9 CYS HB2 1 13 SER QB 2.725 . 6.000 4.364 3.583 5.127 . 0 0 "[ . 1 . 2]" 2
142 1 23 VAL MG2 1 34 ASP HB3 3.029 . 4.176 2.740 1.974 3.974 . 0 0 "[ . 1 . 2]" 2
143 1 50 ASN HA 1 50 ASN HB2 2.243 . 6.000 2.498 2.367 3.027 . 0 0 "[ . 1 . 2]" 2
144 1 11 PRO HA 1 11 PRO HB2 2.128 . 2.694 2.834 2.665 2.972 0.278 1 0 "[ . 1 . 2]" 2
145 1 11 PRO HB2 1 11 PRO QD 2.556 . 3.373 3.240 2.835 3.554 0.181 14 0 "[ . 1 . 2]" 2
146 1 32 ASP HA 1 32 ASP HB3 2.640 . 3.511 2.613 2.390 2.891 . 0 0 "[ . 1 . 2]" 2
147 1 62 GLU HA 1 62 GLU QG 2.107 . 2.662 2.429 2.213 3.073 0.411 6 0 "[ . 1 . 2]" 2
148 1 48 LEU MD2 1 62 GLU QG 2.666 . 3.555 3.227 1.889 3.834 0.279 6 0 "[ . 1 . 2]" 2
149 1 23 VAL HB 1 27 TRP HE3 3.067 . 4.243 4.073 3.524 4.348 0.105 14 0 "[ . 1 . 2]" 2
150 1 14 PHE QD 1 23 VAL HB 3.108 . 6.000 4.593 4.298 4.857 . 0 0 "[ . 1 . 2]" 2
151 1 23 VAL HA 1 23 VAL HB 2.750 . 3.696 2.413 2.358 2.518 . 0 0 "[ . 1 . 2]" 2
152 1 23 VAL HB 1 24 PRO HD3 3.023 . 4.165 4.280 4.173 4.389 0.224 18 0 "[ . 1 . 2]" 2
153 1 23 VAL HB 1 24 PRO HD2 3.158 . 4.405 4.174 3.997 4.435 0.030 13 0 "[ . 1 . 2]" 2
154 1 16 CYS HA 1 17 PRO HG3 3.131 . 4.356 4.192 4.010 4.386 0.030 10 0 "[ . 1 . 2]" 2
155 1 17 PRO HD2 1 17 PRO HG3 2.476 . 3.242 2.986 2.963 2.997 . 0 0 "[ . 1 . 2]" 2
156 1 17 PRO HD3 1 17 PRO HG3 2.711 . 3.630 2.308 2.285 2.321 . 0 0 "[ . 1 . 2]" 2
157 1 63 GLU HA 1 66 VAL HB 2.445 . 3.193 2.400 2.056 2.781 . 0 0 "[ . 1 . 2]" 2
158 1 66 VAL HA 1 66 VAL HB 2.330 . 3.008 3.020 3.017 3.022 0.014 13 0 "[ . 1 . 2]" 2
159 1 65 ARG HG3 1 66 VAL HB 3.257 . 4.583 4.233 3.929 4.612 0.029 2 0 "[ . 1 . 2]" 2
160 1 63 GLU HA 1 63 GLU QB 1.908 . 2.363 2.262 2.222 2.293 . 0 0 "[ . 1 . 2]" 2
161 1 63 GLU QB 1 67 ARG QG 2.861 . 3.884 3.301 2.067 4.072 0.188 4 0 "[ . 1 . 2]" 2
162 1 63 GLU QB 1 67 ARG QD 3.158 . 4.405 2.573 1.863 3.868 0.048 20 0 "[ . 1 . 2]" 2
163 1 10 GLY QA 1 11 PRO QG 2.605 . 6.000 3.856 3.573 4.063 . 0 0 "[ . 1 . 2]" 2
164 1 11 PRO HB2 1 11 PRO QG 2.104 . 2.657 2.207 2.174 2.249 . 0 0 "[ . 1 . 2]" 2
165 1 17 PRO HB3 1 17 PRO HD3 2.930 . 4.003 4.039 4.000 4.057 0.054 1 0 "[ . 1 . 2]" 2
166 1 11 PRO HB3 1 11 PRO QD 2.477 . 6.000 3.208 2.877 3.532 . 0 0 "[ . 1 . 2]" 2
167 1 17 PRO HB3 1 44 ALA MB 3.592 . 5.205 4.385 4.083 4.647 . 0 0 "[ . 1 . 2]" 2
168 1 14 PHE QE 1 17 PRO HG2 3.493 . 5.018 3.303 2.922 3.617 . 0 0 "[ . 1 . 2]" 2
169 1 16 CYS HA 1 17 PRO HG2 3.138 . 4.369 4.370 4.337 4.401 0.032 11 0 "[ . 1 . 2]" 2
170 1 17 PRO HD2 1 17 PRO HG2 2.462 . 3.220 2.312 2.288 2.328 . 0 0 "[ . 1 . 2]" 2
171 1 17 PRO HD3 1 17 PRO HG2 2.815 . 3.806 2.697 2.671 2.743 . 0 0 "[ . 1 . 2]" 2
172 1 16 CYS HB3 1 21 VAL HB 3.057 . 6.000 5.130 4.555 5.521 . 0 0 "[ . 1 . 2]" 2
173 1 21 VAL HA 1 21 VAL HB 2.821 . 3.816 2.431 2.399 2.459 . 0 0 "[ . 1 . 2]" 2
174 1 16 CYS HB2 1 21 VAL HB 2.915 . 6.000 4.451 4.331 4.941 . 0 0 "[ . 1 . 2]" 2
175 1 26 ARG HB2 1 27 TRP HD1 3.603 . 5.225 3.927 3.288 4.509 . 0 0 "[ . 1 . 2]" 2
176 1 25 GLU HB3 1 25 GLU QG 2.098 . 2.648 2.312 2.138 2.485 . 0 0 "[ . 1 . 2]" 2
177 1 25 GLU HB3 1 28 LEU MD2 2.870 . 3.899 3.844 3.662 4.016 0.117 5 0 "[ . 1 . 2]" 2
178 1 26 ARG HB2 1 26 ARG QD 2.694 . 3.602 2.585 1.945 3.374 . 0 0 "[ . 1 . 2]" 2
179 1 43 ILE HA 1 43 ILE HB 2.144 . 2.719 2.504 2.464 2.530 . 0 0 "[ . 1 . 2]" 2
180 1 43 ILE HB 1 43 ILE HG13 2.247 . 2.878 2.977 2.936 3.001 0.123 1 0 "[ . 1 . 2]" 2
181 1 24 PRO HB2 1 73 ARG QB 2.740 . 3.678 2.751 2.061 3.628 . 0 0 "[ . 1 . 2]" 2
182 1 28 LEU HA 1 28 LEU HB2 2.840 . 3.848 2.928 2.834 2.964 . 0 0 "[ . 1 . 2]" 2
183 1 28 LEU HB2 1 45 ALA MB 3.219 . 4.514 4.208 4.132 4.302 . 0 0 "[ . 1 . 2]" 2
184 1 28 LEU HB2 1 28 LEU MD2 2.599 . 3.444 2.134 2.051 2.302 . 0 0 "[ . 1 . 2]" 2
185 1 28 LEU HB2 1 28 LEU MD1 2.801 . 3.782 2.552 2.468 2.654 . 0 0 "[ . 1 . 2]" 2
186 1 14 PHE QE 1 39 ALA MB 2.249 . 2.881 2.152 1.947 2.448 . 0 0 "[ . 1 . 2]" 2
187 1 14 PHE HZ 1 39 ALA MB 2.366 . 3.066 2.873 2.571 3.114 0.048 8 0 "[ . 1 . 2]" 2
188 1 35 CYS HA 1 39 ALA MB 3.527 . 5.082 4.587 4.474 4.760 . 0 0 "[ . 1 . 2]" 2
189 1 16 CYS HA 1 39 ALA MB 2.431 . 6.000 3.357 3.128 3.590 . 0 0 "[ . 1 . 2]" 2
190 1 39 ALA HA 1 39 ALA MB 1.932 . 2.398 2.107 2.097 2.124 . 0 0 "[ . 1 . 2]" 2
191 1 17 PRO HD3 1 39 ALA MB 2.237 . 2.862 2.640 2.197 2.874 0.012 10 0 "[ . 1 . 2]" 2
192 1 35 CYS HB2 1 39 ALA MB 2.630 . 3.494 2.650 2.495 2.989 . 0 0 "[ . 1 . 2]" 2
193 1 39 ALA MB 1 44 ALA MB 2.492 . 3.269 3.165 2.910 3.435 0.166 10 0 "[ . 1 . 2]" 2
194 1 28 LEU MD1 1 39 ALA MB 3.634 . 5.285 5.089 4.745 5.311 0.026 17 0 "[ . 1 . 2]" 2
195 1 26 ARG HB3 1 26 ARG QD 2.732 . 3.665 2.907 2.032 3.307 . 0 0 "[ . 1 . 2]" 2
196 1 26 ARG HB3 1 26 ARG QG 2.608 . 3.458 2.251 2.125 2.513 . 0 0 "[ . 1 . 2]" 2
197 1 26 ARG HB3 1 27 TRP HD1 3.573 . 5.169 2.544 2.008 4.506 . 0 0 "[ . 1 . 2]" 2
198 1 28 LEU HA 1 28 LEU HG 3.087 . 4.278 2.742 2.664 2.851 . 0 0 "[ . 1 . 2]" 2
199 1 25 GLU HA 1 28 LEU HG 2.574 . 6.000 4.322 4.098 4.655 . 0 0 "[ . 1 . 2]" 2
200 1 25 GLU QG 1 28 LEU HG 3.592 . 5.205 4.616 4.412 4.833 . 0 0 "[ . 1 . 2]" 2
201 1 28 LEU HB3 1 28 LEU HG 2.808 . 3.794 2.338 2.312 2.360 . 0 0 "[ . 1 . 2]" 2
202 1 77 LYS HA 1 77 LYS HB3 2.270 . 2.914 2.945 2.242 3.022 0.108 1 0 "[ . 1 . 2]" 2
203 1 76 ARG HA 1 76 ARG HG2 2.064 . 3.197 3.259 2.038 3.875 0.678 8 5 "[ * . + * * - 2]" 2
204 1 24 PRO HB2 1 73 ARG HG2 3.187 . 4.457 4.041 2.367 4.841 0.384 15 0 "[ . 1 . 2]" 2
205 1 77 LYS HB2 1 77 LYS QE 3.390 . 4.826 3.585 1.890 4.388 0.064 20 0 "[ . 1 . 2]" 2
206 1 33 LYS HA 1 41 GLU HB2 3.142 . 4.376 3.835 3.468 4.232 . 0 0 "[ . 1 . 2]" 2
207 1 41 GLU HB2 1 41 GLU HG2 2.244 . 2.873 2.585 2.266 2.963 0.090 15 0 "[ . 1 . 2]" 2
208 1 41 GLU HB2 1 41 GLU HG3 2.891 . 3.936 2.426 2.207 3.008 . 0 0 "[ . 1 . 2]" 2
209 1 33 LYS HG2 1 41 GLU HB2 3.410 . 4.864 2.847 2.212 3.391 . 0 0 "[ . 1 . 2]" 2
210 1 33 LYS HG3 1 38 GLY HA2 3.134 . 4.362 3.813 3.597 3.979 . 0 0 "[ . 1 . 2]" 2
211 1 33 LYS HG3 1 38 GLY HA3 3.170 . 4.426 3.548 3.486 3.730 . 0 0 "[ . 1 . 2]" 2
212 1 33 LYS QE 1 33 LYS HG3 2.975 . 4.081 2.851 2.512 3.134 . 0 0 "[ . 1 . 2]" 2
213 1 33 LYS HB2 1 33 LYS HG3 2.610 . 3.461 2.459 2.391 2.524 . 0 0 "[ . 1 . 2]" 2
214 1 33 LYS HA 1 33 LYS HG3 2.867 . 3.895 2.991 2.816 3.106 . 0 0 "[ . 1 . 2]" 2
215 1 80 LEU HA 1 80 LEU QB 2.077 . 2.616 2.286 2.149 2.528 . 0 0 "[ . 1 . 2]" 2
216 1 61 THR MG 1 64 LEU HB2 3.200 . 4.480 3.300 3.255 3.349 . 0 0 "[ . 1 . 2]" 2
217 1 14 PHE QE 1 44 ALA MB 2.636 . 6.000 3.450 3.071 3.762 . 0 0 "[ . 1 . 2]" 2
218 1 44 ALA HA 1 44 ALA MB 1.671 . 2.020 2.105 2.085 2.131 0.111 10 0 "[ . 1 . 2]" 2
219 1 44 ALA MB 1 45 ALA MB 2.571 . 6.000 3.587 3.518 3.691 . 0 0 "[ . 1 . 2]" 2
220 1 14 PHE HZ 1 44 ALA MB 2.541 . 3.348 2.622 2.273 3.017 . 0 0 "[ . 1 . 2]" 2
221 1 43 ILE MG 1 44 ALA MB 2.439 . 6.000 3.387 3.298 3.451 . 0 0 "[ . 1 . 2]" 2
222 1 26 ARG QG 1 27 TRP HD1 2.932 . 4.007 2.633 1.774 4.109 0.102 17 0 "[ . 1 . 2]" 2
223 1 28 LEU HB3 1 45 ALA MB 3.273 . 4.612 3.559 3.390 3.924 . 0 0 "[ . 1 . 2]" 2
224 1 35 CYS HA 1 36 ALA MB 3.108 . 4.316 4.196 4.152 4.258 . 0 0 "[ . 1 . 2]" 2
225 1 36 ALA MB 1 37 ASP HA 2.855 . 6.000 4.065 3.974 4.121 . 0 0 "[ . 1 . 2]" 2
226 1 36 ALA HA 1 36 ALA MB 1.686 . 2.041 2.108 2.094 2.125 0.084 2 0 "[ . 1 . 2]" 2
227 1 36 ALA MB 1 37 ASP HB2 3.200 . 4.480 3.590 3.078 4.128 . 0 0 "[ . 1 . 2]" 2
228 1 36 ALA MB 1 37 ASP HB3 3.219 . 6.000 4.789 4.307 4.977 . 0 0 "[ . 1 . 2]" 2
229 1 19 THR MG 1 36 ALA MB 2.289 . 2.944 2.269 2.014 2.475 . 0 0 "[ . 1 . 2]" 2
230 1 69 ALA MB 1 71 HIS HE1 2.843 . 5.304 4.881 3.472 5.695 0.391 11 0 "[ . 1 . 2]" 2
231 1 69 ALA HA 1 69 ALA MB 1.666 . 2.013 2.103 2.087 2.123 0.110 19 0 "[ . 1 . 2]" 2
232 1 66 VAL HA 1 69 ALA MB 2.022 . 3.233 3.166 2.853 3.508 0.275 13 0 "[ . 1 . 2]" 2
233 1 26 ARG QD 1 69 ALA MB 2.711 . 3.830 3.733 3.337 4.113 0.283 2 0 "[ . 1 . 2]" 2
234 1 68 LEU MD1 1 69 ALA MB 2.017 . 6.000 3.099 2.697 3.531 . 0 0 "[ . 1 . 2]" 2
235 1 77 LYS QE 1 77 LYS HG3 2.986 . 3.800 2.679 1.942 3.313 . 0 0 "[ . 1 . 2]" 2
236 1 7 LYS HE3 1 7 LYS HG2 2.722 . 3.648 3.259 2.289 4.160 0.512 18 1 "[ . 1 . + 2]" 2
237 1 7 LYS HE3 1 7 LYS HG3 2.786 . 3.756 3.405 2.202 4.174 0.418 8 0 "[ . 1 . 2]" 2
238 1 43 ILE HG12 1 48 LEU HA 3.142 . 6.000 4.807 4.352 5.381 . 0 0 "[ . 1 . 2]" 2
239 1 43 ILE HA 1 43 ILE HG12 2.599 . 3.544 3.670 3.635 3.718 0.174 1 0 "[ . 1 . 2]" 2
240 1 43 ILE HB 1 43 ILE HG12 2.350 . 3.040 2.645 2.579 2.734 . 0 0 "[ . 1 . 2]" 2
241 1 61 THR MG 1 65 ARG QD 2.630 . 6.000 3.780 3.167 4.913 . 0 0 "[ . 1 . 2]" 2
242 1 61 THR MG 1 62 GLU QB 2.851 . 6.000 5.082 4.790 5.370 . 0 0 "[ . 1 . 2]" 2
243 1 61 THR MG 1 64 LEU MD2 2.020 . 2.630 2.749 2.642 2.873 0.243 5 0 "[ . 1 . 2]" 2
244 1 23 VAL HA 1 24 PRO HB2 3.518 . 5.065 5.030 4.885 5.442 0.377 4 0 "[ . 1 . 2]" 2
245 1 24 PRO HA 1 24 PRO HB2 2.596 . 3.439 2.958 2.775 2.985 . 0 0 "[ . 1 . 2]" 2
246 1 24 PRO HB2 1 24 PRO HD3 3.262 . 4.592 3.884 3.854 4.069 . 0 0 "[ . 1 . 2]" 2
247 1 24 PRO HB2 1 24 PRO HD2 3.377 . 4.802 2.989 2.917 3.623 . 0 0 "[ . 1 . 2]" 2
248 1 24 PRO HB2 1 24 PRO HG3 2.815 . 3.806 2.982 2.809 3.000 . 0 0 "[ . 1 . 2]" 2
249 1 51 SER HB3 1 52 THR MG 2.631 . 3.496 3.110 2.452 3.857 0.361 17 0 "[ . 1 . 2]" 2
250 1 8 THR HB 1 8 THR MG 1.726 . 2.098 2.102 2.071 2.118 0.020 9 0 "[ . 1 . 2]" 2
251 1 8 THR MG 1 13 SER QB 3.192 . 4.465 4.031 3.065 4.592 0.127 16 0 "[ . 1 . 2]" 2
252 1 8 THR MG 1 73 ARG QD 3.209 . 4.497 2.610 1.953 3.550 . 0 0 "[ . 1 . 2]" 2
253 1 42 SER HB2 1 45 ALA MB 3.223 . 4.522 4.221 4.024 4.476 . 0 0 "[ . 1 . 2]" 2
254 1 40 ASP HA 1 45 ALA MB 2.207 . 2.816 2.369 1.883 2.661 . 0 0 "[ . 1 . 2]" 2
255 1 45 ALA MB 1 65 ARG QD 3.461 . 6.000 5.875 5.202 6.117 0.117 16 0 "[ . 1 . 2]" 2
256 1 14 PHE QE 1 45 ALA MB 2.543 . 3.351 2.547 2.285 2.836 . 0 0 "[ . 1 . 2]" 2
257 1 14 PHE HZ 1 45 ALA MB 2.568 . 3.392 3.320 3.106 3.463 0.071 20 0 "[ . 1 . 2]" 2
258 1 28 LEU HA 1 45 ALA MB 2.654 . 6.000 3.803 3.692 3.936 . 0 0 "[ . 1 . 2]" 2
259 1 45 ALA HA 1 45 ALA MB 1.924 . 2.387 2.123 2.115 2.129 . 0 0 "[ . 1 . 2]" 2
260 1 40 ASP HB2 1 45 ALA MB 2.719 . 6.000 4.161 3.534 4.678 . 0 0 "[ . 1 . 2]" 2
261 1 28 LEU HG 1 45 ALA MB 2.366 . 3.065 1.808 1.754 1.891 . 0 0 "[ . 1 . 2]" 2
262 1 23 VAL HA 1 24 PRO HG2 3.158 . 4.405 4.393 4.351 4.476 0.071 4 0 "[ . 1 . 2]" 2
263 1 24 PRO HB3 1 24 PRO HG2 2.626 . 3.488 2.673 2.649 2.869 . 0 0 "[ . 1 . 2]" 2
264 1 24 PRO HA 1 24 PRO HG2 3.057 . 4.225 3.935 3.876 4.015 . 0 0 "[ . 1 . 2]" 2
265 1 24 PRO HD3 1 24 PRO HG2 2.934 . 4.010 2.696 2.671 2.829 . 0 0 "[ . 1 . 2]" 2
266 1 33 LYS HG2 1 38 GLY HA2 3.044 . 4.203 2.346 2.097 2.509 . 0 0 "[ . 1 . 2]" 2
267 1 23 VAL MG2 1 27 TRP HE3 2.402 . 3.123 2.296 1.881 2.751 . 0 0 "[ . 1 . 2]" 2
268 1 23 VAL MG2 1 27 TRP HD1 3.518 . 5.065 4.579 4.353 4.815 . 0 0 "[ . 1 . 2]" 2
269 1 23 VAL MG2 1 27 TRP HA 3.131 . 4.356 4.003 3.778 4.171 . 0 0 "[ . 1 . 2]" 2
270 1 23 VAL MG2 1 35 CYS HA 3.501 . 5.033 4.751 4.491 5.086 0.053 1 0 "[ . 1 . 2]" 2
271 1 23 VAL HA 1 23 VAL MG2 2.200 . 2.805 2.362 2.155 2.473 . 0 0 "[ . 1 . 2]" 2
272 1 23 VAL MG2 1 27 TRP HB2 2.534 . 3.337 1.817 1.740 1.982 . 0 0 "[ . 1 . 2]" 2
273 1 16 CYS HB3 1 23 VAL MG2 3.127 . 6.150 6.156 5.905 6.495 0.345 2 0 "[ . 1 . 2]" 2
274 1 23 VAL HB 1 23 VAL MG2 2.172 . 2.761 2.116 2.081 2.127 . 0 0 "[ . 1 . 2]" 2
275 1 23 VAL MG2 1 24 PRO HG3 3.228 . 4.530 4.637 4.363 4.837 0.307 17 0 "[ . 1 . 2]" 2
276 1 23 VAL MG2 1 28 LEU MD1 2.436 . 3.178 2.589 2.155 3.070 . 0 0 "[ . 1 . 2]" 2
277 1 14 PHE QE 1 23 VAL MG1 2.587 . 3.424 3.293 3.091 3.475 0.051 3 0 "[ . 1 . 2]" 2
278 1 14 PHE QD 1 23 VAL MG1 2.245 . 2.875 1.950 1.851 2.100 . 0 0 "[ . 1 . 2]" 2
279 1 22 CYS HA 1 23 VAL MG1 3.431 . 4.903 3.634 3.380 3.974 . 0 0 "[ . 1 . 2]" 2
280 1 23 VAL MG1 1 35 CYS HA 3.545 . 5.116 4.358 4.144 4.578 . 0 0 "[ . 1 . 2]" 2
281 1 23 VAL MG1 1 40 ASP HB2 2.361 . 3.058 2.652 1.763 3.687 0.629 3 1 "[ + . 1 . 2]" 2
282 1 23 VAL HB 1 23 VAL MG1 2.210 . 2.820 2.116 2.086 2.127 . 0 0 "[ . 1 . 2]" 2
283 1 23 VAL MG1 1 28 LEU MD1 2.370 . 3.072 2.373 2.024 2.638 . 0 0 "[ . 1 . 2]" 2
284 1 21 VAL MG2 1 22 CYS HA 3.044 . 4.203 3.609 3.429 3.770 . 0 0 "[ . 1 . 2]" 2
285 1 21 VAL MG2 1 35 CYS HA 2.939 . 6.000 4.737 4.228 5.170 . 0 0 "[ . 1 . 2]" 2
286 1 66 VAL HA 1 66 VAL MG2 1.791 . 2.192 2.345 2.238 2.455 0.263 13 0 "[ . 1 . 2]" 2
287 1 16 CYS HB3 1 21 VAL MG2 2.834 . 4.128 4.261 3.959 4.416 0.288 13 0 "[ . 1 . 2]" 2
288 1 66 VAL HB 1 66 VAL MG2 1.790 . 2.191 2.103 2.084 2.128 . 0 0 "[ . 1 . 2]" 2
289 1 21 VAL HB 1 21 VAL MG2 1.829 . 2.247 2.118 2.086 2.129 . 0 0 "[ . 1 . 2]" 2
290 1 65 ARG HG3 1 66 VAL MG2 2.304 . 2.968 2.105 1.905 2.363 . 0 0 "[ . 1 . 2]" 2
291 1 42 SER HA 1 43 ILE MG 2.947 . 4.132 4.247 4.156 4.334 0.202 13 0 "[ . 1 . 2]" 2
292 1 43 ILE HA 1 43 ILE MG 1.930 . 6.000 3.197 3.193 3.201 . 0 0 "[ . 1 . 2]" 2
293 1 43 ILE HB 1 43 ILE MG 1.722 . 2.093 2.122 2.118 2.125 0.032 5 0 "[ . 1 . 2]" 2
294 1 43 ILE HG13 1 43 ILE MG 1.863 . 2.497 2.637 2.556 2.765 0.268 10 0 "[ . 1 . 2]" 2
295 1 43 ILE HG12 1 43 ILE MG 1.944 . 6.000 2.224 2.173 2.263 . 0 0 "[ . 1 . 2]" 2
296 1 66 VAL MG1 1 67 ARG HA 2.248 . 6.000 3.639 3.152 3.939 . 0 0 "[ . 1 . 2]" 2
297 1 66 VAL HA 1 66 VAL MG1 1.853 . 6.000 2.392 2.269 2.488 . 0 0 "[ . 1 . 2]" 2
298 1 66 VAL HB 1 66 VAL MG1 1.706 . 2.070 2.116 2.086 2.129 0.059 18 0 "[ . 1 . 2]" 2
299 1 72 LEU MD2 1 73 ARG QD 2.403 . 3.125 2.478 1.837 3.090 . 0 0 "[ . 1 . 2]" 2
300 1 68 LEU MD2 1 71 HIS HD2 2.586 . 3.622 3.558 2.716 3.910 0.288 11 0 "[ . 1 . 2]" 2
301 1 43 ILE MD 1 49 TYR QD 3.138 . 6.000 4.579 4.348 4.725 . 0 0 "[ . 1 . 2]" 2
302 1 43 ILE MD 1 48 LEU HA 2.440 . 3.184 2.150 1.864 2.670 . 0 0 "[ . 1 . 2]" 2
303 1 43 ILE HA 1 43 ILE MD 2.130 . 2.697 2.451 2.175 2.629 . 0 0 "[ . 1 . 2]" 2
304 1 43 ILE MD 1 46 GLY HA2 3.273 . 4.612 3.236 2.864 3.648 . 0 0 "[ . 1 . 2]" 2
305 1 43 ILE MD 1 65 ARG QD 3.038 . 6.000 5.916 5.594 6.092 0.092 20 0 "[ . 1 . 2]" 2
306 1 43 ILE HB 1 43 ILE MD 2.010 . 2.515 2.128 2.043 2.276 . 0 0 "[ . 1 . 2]" 2
307 1 43 ILE MD 1 43 ILE HG13 1.794 . 2.196 2.084 2.073 2.114 . 0 0 "[ . 1 . 2]" 2
308 1 43 ILE MD 1 43 ILE HG12 1.725 . 2.097 2.082 2.072 2.112 0.015 10 0 "[ . 1 . 2]" 2
309 1 71 HIS HA 1 75 LEU MD1 2.794 . 3.770 2.434 1.821 3.783 0.013 2 0 "[ . 1 . 2]" 2
310 1 68 LEU MD1 1 71 HIS HE1 2.889 . 3.932 3.718 3.004 4.371 0.439 16 0 "[ . 1 . 2]" 2
311 1 14 PHE QD 1 28 LEU MD2 2.435 . 6.000 3.804 3.577 4.050 . 0 0 "[ . 1 . 2]" 2
312 1 28 LEU HA 1 28 LEU MD2 2.426 . 6.000 3.776 3.731 3.808 . 0 0 "[ . 1 . 2]" 2
313 1 25 GLU HA 1 28 LEU MD2 2.127 . 2.693 2.079 1.883 2.292 . 0 0 "[ . 1 . 2]" 2
314 1 25 GLU QG 1 28 LEU MD2 2.352 . 3.044 1.985 1.827 2.172 . 0 0 "[ . 1 . 2]" 2
315 1 28 LEU MD2 1 45 ALA MB 2.195 . 2.797 2.192 1.997 2.454 . 0 0 "[ . 1 . 2]" 2
316 1 24 PRO HA 1 24 PRO HG3 3.150 . 4.390 3.037 2.891 3.750 . 0 0 "[ . 1 . 2]" 2
317 1 24 PRO HD3 1 24 PRO HG3 2.937 . 4.015 2.305 2.252 2.316 . 0 0 "[ . 1 . 2]" 2
318 1 24 PRO HG3 1 73 ARG HG3 3.703 . 5.417 3.638 2.394 4.199 . 0 0 "[ . 1 . 2]" 2
319 1 23 VAL HA 1 24 PRO HG3 3.064 . 4.237 4.134 4.044 4.235 . 0 0 "[ . 1 . 2]" 2
320 1 14 PHE QE 1 28 LEU MD1 2.694 . 6.000 3.971 3.421 4.344 . 0 0 "[ . 1 . 2]" 2
321 1 14 PHE QD 1 28 LEU MD1 2.315 . 2.985 2.323 2.000 2.718 . 0 0 "[ . 1 . 2]" 2
322 1 28 LEU HA 1 28 LEU MD1 2.028 . 2.542 2.080 1.886 2.206 . 0 0 "[ . 1 . 2]" 2
323 1 25 GLU HA 1 28 LEU MD1 2.482 . 3.252 2.306 1.934 2.783 . 0 0 "[ . 1 . 2]" 2
324 1 28 LEU MD1 1 40 ASP HA 2.267 . 2.910 2.276 1.826 2.633 . 0 0 "[ . 1 . 2]" 2
325 1 14 PHE HB3 1 28 LEU MD1 2.215 . 2.828 1.942 1.845 2.131 . 0 0 "[ . 1 . 2]" 2
326 1 28 LEU MD1 1 40 ASP HB2 2.200 . 3.405 2.562 1.940 3.508 0.103 9 0 "[ . 1 . 2]" 2
327 1 25 GLU QG 1 28 LEU MD1 2.580 . 3.412 3.445 3.105 3.626 0.214 5 0 "[ . 1 . 2]" 2
328 1 28 LEU HB3 1 28 LEU MD1 2.254 . 6.000 3.171 3.162 3.179 . 0 0 "[ . 1 . 2]" 2
329 1 28 LEU MD1 1 45 ALA MB 1.960 . 2.440 2.288 1.858 2.471 0.031 18 0 "[ . 1 . 2]" 2
330 1 28 LEU MD1 1 28 LEU MD2 1.869 . 2.305 1.981 1.890 2.083 . 0 0 "[ . 1 . 2]" 2
331 1 47 CYS HB2 1 49 TYR QD 4.010 . 6.020 5.038 4.431 5.410 . 0 0 "[ . 1 . 2]" 2
332 1 49 TYR QD 1 50 ASN HA 3.828 . 5.660 2.763 2.453 3.692 . 0 0 "[ . 1 . 2]" 2
333 1 42 SER HB3 1 45 ALA MB 3.812 . 5.629 5.273 4.630 5.607 . 0 0 "[ . 1 . 2]" 2
334 1 16 CYS HB3 1 19 THR HB 4.055 . 6.111 3.941 3.427 4.114 . 0 0 "[ . 1 . 2]" 2
335 1 19 THR HB 1 20 HIS HB2 4.079 . 6.159 5.869 5.648 6.008 . 0 0 "[ . 1 . 2]" 2
336 1 16 CYS HB2 1 19 THR HB 4.010 . 6.020 4.367 3.902 5.026 . 0 0 "[ . 1 . 2]" 2
337 1 19 THR HB 1 36 ALA MB 4.279 . 6.568 4.609 4.297 4.822 . 0 0 "[ . 1 . 2]" 2
338 1 14 PHE HZ 1 17 PRO HA 3.949 . 5.898 4.951 4.772 5.079 . 0 0 "[ . 1 . 2]" 2
339 1 15 SER HB3 1 17 PRO HA 3.783 . 5.572 5.222 4.665 5.955 0.383 10 0 "[ . 1 . 2]" 2
340 1 16 CYS HB2 1 17 PRO HA 3.755 . 5.968 5.903 5.686 6.201 0.233 2 0 "[ . 1 . 2]" 2
341 1 17 PRO HA 1 44 ALA MB 3.894 . 6.000 5.839 5.570 6.057 0.057 3 0 "[ . 1 . 2]" 2
342 1 8 THR HB 1 9 CYS HA 3.518 . 6.000 5.732 5.510 6.068 0.068 11 0 "[ . 1 . 2]" 2
343 1 42 SER HA 1 43 ILE HA 3.691 . 5.394 4.288 4.277 4.309 . 0 0 "[ . 1 . 2]" 2
344 1 20 HIS HD2 1 21 VAL HA 4.246 . 6.500 5.766 2.805 6.528 0.028 8 0 "[ . 1 . 2]" 2
345 1 21 VAL HA 1 22 CYS HA 4.391 . 6.801 4.418 4.394 4.436 . 0 0 "[ . 1 . 2]" 2
346 1 42 SER HB2 1 47 CYS HB2 4.079 . 6.159 5.571 5.305 5.871 . 0 0 "[ . 1 . 2]" 2
347 1 70 SER HB2 1 74 LYS HE3 3.989 . 5.978 5.616 4.745 6.050 0.072 9 0 "[ . 1 . 2]" 2
348 1 27 TRP HB2 1 28 LEU HA 3.783 . 5.572 4.474 4.252 4.669 . 0 0 "[ . 1 . 2]" 2
349 1 14 PHE QD 1 25 GLU HA 3.828 . 5.660 5.317 4.783 5.543 . 0 0 "[ . 1 . 2]" 2
350 1 25 GLU HA 1 28 LEU HA 3.742 . 5.492 4.851 4.702 5.045 . 0 0 "[ . 1 . 2]" 2
351 1 12 SER QB 1 13 SER QB 3.844 . 5.691 5.064 4.628 5.523 . 0 0 "[ . 1 . 2]" 2
352 1 9 CYS HB3 1 15 SER HB2 3.828 . 5.660 4.835 4.005 5.747 0.087 4 0 "[ . 1 . 2]" 2
353 1 20 HIS HB3 1 20 HIS HD2 3.729 . 5.467 2.987 2.804 3.926 . 0 0 "[ . 1 . 2]" 2
354 1 20 HIS HB2 1 21 VAL HA 4.215 . 6.436 4.608 4.472 4.814 . 0 0 "[ . 1 . 2]" 2
355 1 23 VAL HB 1 27 TRP HB3 4.010 . 6.020 4.827 4.591 5.062 . 0 0 "[ . 1 . 2]" 2
356 1 27 TRP HB3 1 27 TRP HD1 3.783 . 5.572 3.777 3.649 3.829 . 0 0 "[ . 1 . 2]" 2
357 1 14 PHE QE 1 17 PRO HG3 3.989 . 5.978 3.231 3.076 3.426 . 0 0 "[ . 1 . 2]" 2
358 1 14 PHE HZ 1 17 PRO HG3 4.391 . 6.801 2.078 1.962 2.252 0.019 8 0 "[ . 1 . 2]" 2
359 1 17 PRO HG3 1 23 VAL MG1 4.391 . 6.801 5.715 5.416 6.148 . 0 0 "[ . 1 . 2]" 2
360 1 14 PHE QE 1 17 PRO HB3 4.433 . 6.889 5.049 4.841 5.259 . 0 0 "[ . 1 . 2]" 2
361 1 14 PHE HZ 1 17 PRO HB3 4.433 . 6.889 4.263 4.058 4.506 . 0 0 "[ . 1 . 2]" 2
362 1 14 PHE HZ 1 17 PRO HG2 4.391 . 6.801 2.553 2.216 3.153 . 0 0 "[ . 1 . 2]" 2
363 1 17 PRO HG2 1 45 ALA MB 4.351 . 6.718 4.863 4.515 5.329 . 0 0 "[ . 1 . 2]" 2
364 1 26 ARG HB2 1 27 TRP HA 4.391 . 6.801 5.600 5.100 5.702 . 0 0 "[ . 1 . 2]" 2
365 1 13 SER HA 1 25 GLU HB3 3.716 . 5.442 4.789 4.551 5.287 . 0 0 "[ . 1 . 2]" 2
366 1 25 GLU HB3 1 28 LEU MD1 3.877 . 5.755 4.791 4.494 5.276 . 0 0 "[ . 1 . 2]" 2
367 1 27 TRP HD1 1 73 ARG QB 3.623 . 5.264 3.193 2.804 3.861 . 0 0 "[ . 1 . 2]" 2
368 1 14 PHE QD 1 28 LEU HG 4.351 . 6.718 3.921 3.612 4.413 . 0 0 "[ . 1 . 2]" 2
369 1 28 LEU HG 1 45 ALA HA 4.055 . 6.111 4.407 4.148 4.696 . 0 0 "[ . 1 . 2]" 2
370 1 11 PRO QD 1 73 ARG HG2 4.478 . 6.984 6.582 5.269 7.403 0.419 20 0 "[ . 1 . 2]" 2
371 1 33 LYS HG3 1 41 GLU HB3 4.314 . 6.641 4.766 3.925 5.135 . 0 0 "[ . 1 . 2]" 2
372 1 27 TRP HZ2 1 77 LYS QD 4.215 . 6.436 3.507 1.999 6.022 . 0 0 "[ . 1 . 2]" 2
373 1 17 PRO HG3 1 44 ALA MB 3.645 . 5.306 3.437 3.102 3.812 . 0 0 "[ . 1 . 2]" 2
374 1 26 ARG QG 1 27 TRP HA 4.391 . 6.801 3.909 3.196 5.456 . 0 0 "[ . 1 . 2]" 2
375 1 47 CYS HA 1 48 LEU HG 3.691 . 5.394 5.370 5.295 5.535 0.141 1 0 "[ . 1 . 2]" 2
376 1 66 VAL HB 1 69 ALA MB 3.755 . 5.518 5.599 5.407 5.699 0.181 9 0 "[ . 1 . 2]" 2
377 1 69 ALA MB 1 71 HIS HD2 3.949 . 6.490 5.575 3.623 6.817 0.327 10 0 "[ . 1 . 2]" 2
378 1 6 GLY QA 1 7 LYS HG3 3.989 . 5.978 5.307 3.603 6.268 0.290 1 0 "[ . 1 . 2]" 2
379 1 24 PRO HB2 1 27 TRP HD1 3.860 . 5.722 2.907 2.457 3.995 . 0 0 "[ . 1 . 2]" 2
380 1 13 SER HA 1 24 PRO HB2 4.104 . 6.209 4.526 4.127 5.015 . 0 0 "[ . 1 . 2]" 2
381 1 13 SER QB 1 24 PRO HB2 4.351 . 6.718 5.274 4.713 5.846 . 0 0 "[ . 1 . 2]" 2
382 1 8 THR MG 1 27 TRP HZ2 4.032 . 6.264 6.310 6.111 6.679 0.415 4 0 "[ . 1 . 2]" 2
383 1 19 THR MG 1 20 HIS HD2 4.279 . 6.568 4.768 4.026 6.726 0.158 16 0 "[ . 1 . 2]" 2
384 1 24 PRO HG2 1 27 TRP HE3 3.783 . 5.572 4.371 3.807 4.824 . 0 0 "[ . 1 . 2]" 2
385 1 13 SER QB 1 24 PRO HG2 3.989 . 5.978 5.638 5.061 6.266 0.288 1 0 "[ . 1 . 2]" 2
386 1 24 PRO HG2 1 27 TRP HD1 4.055 . 6.111 3.840 3.072 4.289 . 0 0 "[ . 1 . 2]" 2
387 1 33 LYS HG2 1 41 GLU HB3 3.949 . 5.898 4.178 3.689 4.486 . 0 0 "[ . 1 . 2]" 2
388 1 33 LYS HG2 1 41 GLU HG3 3.667 . 5.348 2.895 2.137 4.140 . 0 0 "[ . 1 . 2]" 2
389 1 20 HIS HE1 1 21 VAL MG2 3.877 . 5.755 5.507 5.182 5.949 0.194 6 0 "[ . 1 . 2]" 2
390 1 43 ILE MG 1 46 GLY HA2 3.545 . 5.116 5.137 5.040 5.245 0.129 1 0 "[ . 1 . 2]" 2
391 1 43 ILE MG 1 50 ASN HB2 4.130 . 6.262 3.450 2.532 4.467 . 0 0 "[ . 1 . 2]" 2
392 1 43 ILE MD 1 49 TYR QE 3.742 . 6.000 5.802 5.501 6.042 0.042 17 0 "[ . 1 . 2]" 2
393 1 27 TRP HA 1 28 LEU MD2 4.279 . 6.568 6.382 6.179 6.645 0.077 5 0 "[ . 1 . 2]" 2
394 1 24 PRO HG3 1 27 TRP HD1 4.279 . 6.568 5.315 4.777 5.869 . 0 0 "[ . 1 . 2]" 2
395 1 7 LYS QB 1 24 PRO HG3 4.104 . 6.209 3.024 1.916 4.407 0.083 2 0 "[ . 1 . 2]" 2
396 1 27 TRP HA 1 28 LEU MD1 3.912 . 5.825 4.722 4.444 5.387 . 0 0 "[ . 1 . 2]" 2
397 1 69 ALA HA 1 71 HIS HE1 3.989 . 5.978 3.918 2.394 5.123 . 0 0 "[ . 1 . 2]" 2
398 1 60 SER HA 1 63 GLU HG3 3.112 . 4.323 3.015 2.574 3.560 . 0 0 "[ . 1 . 2]" 2
399 1 49 TYR HB2 1 58 SER HA 3.397 . 6.000 5.941 5.499 6.159 0.159 1 0 "[ . 1 . 2]" 2
400 1 49 TYR QD 1 58 SER HB2 3.894 . 5.789 2.657 1.982 4.010 0.017 5 0 "[ . 1 . 2]" 2
401 1 49 TYR QE 1 56 SER HB2 3.634 . 5.285 4.841 3.493 5.432 0.147 15 0 "[ . 1 . 2]" 2
402 1 14 PHE QE 1 39 ALA HA 3.769 . 5.545 4.207 3.984 4.533 . 0 0 "[ . 1 . 2]" 2
403 1 14 PHE HZ 1 39 ALA HA 3.667 . 5.348 4.969 4.577 5.229 . 0 0 "[ . 1 . 2]" 2
404 1 48 LEU HA 1 48 LEU QB 2.111 . 2.668 2.299 2.282 2.314 . 0 0 "[ . 1 . 2]" 2
405 1 27 TRP HZ2 1 73 ARG QD 3.613 . 5.445 5.302 4.354 5.830 0.385 14 0 "[ . 1 . 2]" 2
406 1 33 LYS QD 1 33 LYS QE 2.198 . 2.802 2.041 2.011 2.086 . 0 0 "[ . 1 . 2]" 2
407 1 35 CYS HA 1 36 ALA HA 3.603 . 5.225 4.315 4.293 4.344 . 0 0 "[ . 1 . 2]" 2
408 1 32 ASP HA 1 32 ASP HB2 2.249 . 2.881 2.955 2.526 3.028 0.147 3 0 "[ . 1 . 2]" 2
409 1 32 ASP HA 1 33 LYS HG3 3.510 . 5.050 3.868 3.623 4.113 . 0 0 "[ . 1 . 2]" 2
410 1 32 ASP HA 1 33 LYS HG2 4.185 . 6.374 5.176 4.930 5.561 . 0 0 "[ . 1 . 2]" 2
411 1 32 ASP HA 1 33 LYS HA 3.912 . 5.825 4.359 4.316 4.419 . 0 0 "[ . 1 . 2]" 2
412 1 31 GLY HA3 1 32 ASP HA 4.279 . 6.568 4.706 4.523 4.822 . 0 0 "[ . 1 . 2]" 2
413 1 22 CYS HA 1 23 VAL HB 4.635 . 7.321 4.614 4.430 4.745 . 0 0 "[ . 1 . 2]" 2
414 1 9 CYS HB3 1 22 CYS HA 3.755 . 5.518 4.481 4.186 5.797 0.279 10 0 "[ . 1 . 2]" 2
415 1 27 TRP HA 1 27 TRP HE3 3.656 . 5.327 4.889 4.732 5.103 . 0 0 "[ . 1 . 2]" 2
416 1 27 TRP HA 1 30 ASP HB2 3.209 . 4.497 3.429 2.713 4.007 . 0 0 "[ . 1 . 2]" 2
417 1 26 ARG HA 1 27 TRP HA 4.279 . 6.568 4.666 4.617 4.790 . 0 0 "[ . 1 . 2]" 2
418 1 18 GLY HA3 1 19 THR HA 3.623 . 5.264 4.446 4.370 4.598 . 0 0 "[ . 1 . 2]" 2
419 1 19 THR HA 1 20 HIS HD2 4.526 . 7.087 4.073 3.484 6.702 . 0 0 "[ . 1 . 2]" 2
420 1 19 THR HA 1 21 VAL MG1 2.989 . 4.105 4.011 3.825 4.281 0.176 3 0 "[ . 1 . 2]" 2
421 1 16 CYS HB2 1 19 THR HA 4.104 . 6.309 5.979 5.434 6.609 0.300 2 0 "[ . 1 . 2]" 2
422 1 19 THR HA 1 21 VAL HB 3.798 . 5.601 5.755 5.642 5.944 0.343 12 0 "[ . 1 . 2]" 2
423 1 18 GLY HA2 1 19 THR HA 3.877 . 5.755 4.543 4.456 4.607 . 0 0 "[ . 1 . 2]" 2
424 1 8 THR HA 1 11 PRO QD 3.912 . 5.825 5.082 4.341 5.805 . 0 0 "[ . 1 . 2]" 2
425 1 8 THR HA 1 9 CYS HB2 4.055 . 6.111 5.049 4.323 5.471 . 0 0 "[ . 1 . 2]" 2
426 1 15 SER HA 1 15 SER HB3 2.320 . 2.993 2.935 2.717 3.027 0.034 14 0 "[ . 1 . 2]" 2
427 1 15 SER HB3 1 22 CYS HA 3.501 . 5.033 4.650 4.225 4.933 . 0 0 "[ . 1 . 2]" 2
428 1 9 CYS HB3 1 15 SER HB3 3.969 . 6.038 6.111 5.558 6.408 0.370 9 0 "[ . 1 . 2]" 2
429 1 15 SER HB3 1 22 CYS HB2 3.877 . 5.755 5.719 5.337 6.038 0.283 13 0 "[ . 1 . 2]" 2
430 1 12 SER QB 1 25 GLU HB2 2.696 . 3.604 2.309 1.961 2.834 . 0 0 "[ . 1 . 2]" 2
431 1 12 SER HA 1 25 GLU QG 3.247 . 4.565 4.354 4.015 4.701 0.136 5 0 "[ . 1 . 2]" 2
432 1 12 SER HA 1 13 SER HA 4.314 . 6.641 4.366 4.343 4.401 . 0 0 "[ . 1 . 2]" 2
433 1 23 VAL HA 1 24 PRO HB3 3.930 . 5.861 5.446 5.053 5.495 . 0 0 "[ . 1 . 2]" 2
434 1 23 VAL HA 1 24 PRO HD3 2.810 . 3.797 1.939 1.869 2.034 . 0 0 "[ . 1 . 2]" 2
435 1 23 VAL HA 1 24 PRO HD2 3.026 . 4.171 2.512 2.341 2.633 . 0 0 "[ . 1 . 2]" 2
436 1 13 SER HA 1 25 GLU QG 3.196 . 4.473 4.296 4.003 4.598 0.125 4 0 "[ . 1 . 2]" 2
437 1 42 SER HA 1 49 TYR QE 4.185 . 6.374 5.400 4.030 6.097 . 0 0 "[ . 1 . 2]" 2
438 1 42 SER HA 1 47 CYS HB2 3.345 . 4.744 4.311 4.052 4.698 . 0 0 "[ . 1 . 2]" 2
439 1 42 SER HA 1 44 ALA MB 3.209 . 6.000 4.969 4.849 5.082 . 0 0 "[ . 1 . 2]" 2
440 1 42 SER HA 1 47 CYS HB3 3.623 . 5.264 4.414 3.710 4.939 . 0 0 "[ . 1 . 2]" 2
441 1 27 TRP HE3 1 34 ASP HA 3.370 . 5.190 5.212 4.573 5.531 0.341 8 0 "[ . 1 . 2]" 2
442 1 34 ASP HA 1 35 CYS HA 3.912 . 5.825 4.747 4.609 4.814 . 0 0 "[ . 1 . 2]" 2
443 1 14 PHE HA 1 14 PHE HB2 2.463 . 3.221 2.377 2.339 2.409 . 0 0 "[ . 1 . 2]" 2
444 1 14 PHE HA 1 23 VAL MG1 3.142 . 4.376 4.319 4.128 4.463 0.087 14 0 "[ . 1 . 2]" 2
445 1 14 PHE HA 1 28 LEU MD2 3.123 . 6.000 4.770 4.577 5.018 . 0 0 "[ . 1 . 2]" 2
446 1 14 PHE HA 1 28 LEU MD1 3.166 . 4.419 4.422 4.301 4.546 0.127 4 0 "[ . 1 . 2]" 2
447 1 14 PHE HA 1 14 PHE QD 2.546 . 3.356 2.583 2.362 2.806 . 0 0 "[ . 1 . 2]" 2
448 1 14 PHE HA 1 22 CYS HA 4.104 . 6.209 5.658 5.429 5.999 . 0 0 "[ . 1 . 2]" 2
449 1 15 SER HA 1 22 CYS HA 2.430 . 3.168 1.869 1.701 1.970 . 0 0 "[ . 1 . 2]" 2
450 1 15 SER HA 1 23 VAL MG1 3.461 . 4.959 3.890 3.675 4.237 . 0 0 "[ . 1 . 2]" 2
451 1 14 PHE QD 1 15 SER HA 3.703 . 5.417 4.963 4.749 5.089 . 0 0 "[ . 1 . 2]" 2
452 1 20 HIS HA 1 20 HIS HB3 2.410 . 3.136 2.413 2.383 2.496 . 0 0 "[ . 1 . 2]" 2
453 1 20 HIS HA 1 20 HIS HB2 2.458 . 3.213 2.505 2.420 2.533 . 0 0 "[ . 1 . 2]" 2
454 1 19 THR MG 1 20 HIS HA 3.912 . 5.825 5.648 5.426 5.737 . 0 0 "[ . 1 . 2]" 2
455 1 20 HIS HA 1 20 HIS HD2 2.944 . 6.000 4.376 4.325 4.467 . 0 0 "[ . 1 . 2]" 2
456 1 28 LEU HA 1 28 LEU HB3 2.756 . 3.706 2.731 2.660 2.844 . 0 0 "[ . 1 . 2]" 2
457 1 14 PHE QD 1 28 LEU HA 4.010 . 6.020 4.699 4.346 4.989 . 0 0 "[ . 1 . 2]" 2
458 1 28 LEU HA 1 40 ASP HB2 2.886 . 3.927 2.376 1.637 4.248 0.321 2 0 "[ . 1 . 2]" 2
459 1 29 CYS HA 1 49 TYR QD 3.844 . 6.340 6.253 5.985 6.592 0.252 6 0 "[ . 1 . 2]" 2
460 1 29 CYS HA 1 29 CYS HB2 2.512 . 3.301 3.003 2.973 3.021 . 0 0 "[ . 1 . 2]" 2
461 1 9 CYS HA 1 9 CYS HB3 2.499 . 3.279 2.313 2.236 3.013 . 0 0 "[ . 1 . 2]" 2
462 1 9 CYS HA 1 9 CYS HB2 2.435 . 3.176 2.920 2.494 3.004 . 0 0 "[ . 1 . 2]" 2
463 1 8 THR MG 1 9 CYS HA 3.352 . 4.756 4.047 3.230 5.043 0.287 2 0 "[ . 1 . 2]" 2
464 1 9 CYS HA 1 10 GLY QA 3.545 . 5.116 4.144 3.933 4.427 . 0 0 "[ . 1 . 2]" 2
465 1 9 CYS HA 1 22 CYS HA 3.783 . 5.572 5.575 5.197 5.826 0.254 9 0 "[ . 1 . 2]" 2
466 1 9 CYS HA 1 24 PRO HG3 4.079 . 6.959 5.321 4.794 5.694 . 0 0 "[ . 1 . 2]" 2
467 1 41 GLU HA 1 47 CYS HB3 3.214 . 4.505 4.150 3.862 4.704 0.199 1 0 "[ . 1 . 2]" 2
468 1 41 GLU HA 1 41 GLU HB3 2.634 . 3.501 2.412 2.245 2.482 . 0 0 "[ . 1 . 2]" 2
469 1 41 GLU HA 1 41 GLU HG2 2.817 . 3.809 3.082 2.547 3.869 0.060 2 0 "[ . 1 . 2]" 2
470 1 41 GLU HA 1 41 GLU HB2 2.586 . 3.422 3.011 2.905 3.025 . 0 0 "[ . 1 . 2]" 2
471 1 41 GLU HA 1 49 TYR QE 3.634 . 5.285 4.660 3.869 5.442 0.157 1 0 "[ . 1 . 2]" 2
472 1 27 TRP HA 1 30 ASP HA 3.364 . 4.779 4.622 4.166 4.940 0.161 12 0 "[ . 1 . 2]" 2
473 1 49 TYR QE 1 50 ASN HA 3.755 . 5.518 4.072 3.751 4.919 . 0 0 "[ . 1 . 2]" 2
474 1 30 ASP HA 1 30 ASP HB3 2.307 . 2.972 2.646 2.425 2.917 . 0 0 "[ . 1 . 2]" 2
475 1 30 ASP HA 1 30 ASP HB2 2.342 . 3.028 2.334 2.234 2.481 . 0 0 "[ . 1 . 2]" 2
476 1 47 CYS HA 1 47 CYS HB2 2.461 . 3.218 2.723 2.541 2.908 . 0 0 "[ . 1 . 2]" 2
477 1 47 CYS HA 1 48 LEU MD2 3.017 . 4.155 2.504 2.386 2.768 . 0 0 "[ . 1 . 2]" 2
478 1 47 CYS HA 1 47 CYS HB3 2.400 . 3.120 2.923 2.792 3.017 . 0 0 "[ . 1 . 2]" 2
479 1 47 CYS HA 1 49 TYR QE 3.844 . 5.691 4.549 3.516 5.108 . 0 0 "[ . 1 . 2]" 2
480 1 47 CYS HA 1 49 TYR QD 3.679 . 5.371 5.033 4.572 5.469 0.098 9 0 "[ . 1 . 2]" 2
481 1 14 PHE HZ 1 17 PRO HD3 3.446 . 4.930 2.615 2.372 2.943 . 0 0 "[ . 1 . 2]" 2
482 1 14 PHE HZ 1 17 PRO HD2 3.352 . 4.756 3.597 3.272 4.214 . 0 0 "[ . 1 . 2]" 2
483 1 14 PHE QE 1 44 ALA HA 4.246 . 6.500 5.003 4.545 5.397 . 0 0 "[ . 1 . 2]" 2
484 1 14 PHE HZ 1 44 ALA HA 4.478 . 6.984 4.957 4.662 5.175 . 0 0 "[ . 1 . 2]" 2
485 1 28 LEU MD2 1 40 ASP HA 3.345 . 4.744 4.282 3.981 4.562 . 0 0 "[ . 1 . 2]" 2
486 1 48 LEU HA 1 49 TYR QD 3.894 . 5.789 4.695 4.159 5.160 . 0 0 "[ . 1 . 2]" 2
487 1 48 LEU HA 1 65 ARG QD 3.828 . 5.660 5.713 5.586 5.837 0.177 15 0 "[ . 1 . 2]" 2
488 1 47 CYS HA 1 48 LEU HA 3.573 . 5.169 5.113 5.064 5.175 0.006 10 0 "[ . 1 . 2]" 2
489 1 19 THR MG 1 36 ALA HA 3.755 . 5.518 4.381 3.853 4.718 . 0 0 "[ . 1 . 2]" 2
490 1 68 LEU HA 1 71 HIS HD2 3.461 . 6.000 5.060 3.977 6.142 0.142 2 0 "[ . 1 . 2]" 2
491 1 39 ALA HA 1 42 SER HA 3.054 . 6.000 4.728 4.582 4.959 . 0 0 "[ . 1 . 2]" 2
492 1 39 ALA HA 1 45 ALA MB 3.477 . 4.988 4.548 4.241 4.928 . 0 0 "[ . 1 . 2]" 2
493 1 39 ALA HA 1 42 SER HB3 2.753 . 3.701 3.537 3.446 3.774 0.073 15 0 "[ . 1 . 2]" 2
494 1 71 HIS HD2 1 72 LEU HA 3.563 . 6.400 6.009 4.569 6.758 0.358 13 0 "[ . 1 . 2]" 2
495 1 72 LEU HA 1 72 LEU HB2 2.305 . 2.969 2.412 2.387 2.473 . 0 0 "[ . 1 . 2]" 2
496 1 75 LEU HA 1 75 LEU HG 2.055 . 2.583 2.468 2.239 2.680 0.097 6 0 "[ . 1 . 2]" 2
497 1 6 GLY QA 1 7 LYS HA 3.485 . 5.003 4.028 3.924 4.335 . 0 0 "[ . 1 . 2]" 2
498 1 7 LYS HA 1 7 LYS HE3 3.527 . 5.082 4.629 3.559 6.003 0.921 10 4 "[ * . + . *-2]" 2
499 1 78 ARG HA 1 78 ARG QD 2.595 . 3.637 3.401 1.911 4.090 0.453 7 0 "[ . 1 . 2]" 2
500 1 68 LEU HA 1 68 LEU QB 1.972 . 2.458 2.351 2.263 2.437 . 0 0 "[ . 1 . 2]" 2
501 1 33 LYS HA 1 33 LYS HG2 2.791 . 3.765 2.528 2.407 2.643 . 0 0 "[ . 1 . 2]" 2
502 1 33 LYS HA 1 41 GLU HG2 2.430 . 3.168 2.495 1.984 3.049 . 0 0 "[ . 1 . 2]" 2
503 1 33 LYS HA 1 38 GLY HA3 3.219 . 4.514 3.713 3.375 4.144 . 0 0 "[ . 1 . 2]" 2
504 1 33 LYS HA 1 41 GLU HB3 3.358 . 4.767 4.701 4.373 4.921 0.154 10 0 "[ . 1 . 2]" 2
505 1 33 LYS HA 1 41 GLU HG3 2.872 . 3.903 2.491 1.916 3.477 . 0 0 "[ . 1 . 2]" 2
506 1 26 ARG HA 1 26 ARG QD 2.707 . 3.823 2.853 2.039 3.780 . 0 0 "[ . 1 . 2]" 2
507 1 26 ARG HA 1 26 ARG HB2 2.286 . 2.939 2.401 2.284 2.767 . 0 0 "[ . 1 . 2]" 2
508 1 26 ARG HA 1 26 ARG QG 2.593 . 3.434 2.902 2.057 3.392 . 0 0 "[ . 1 . 2]" 2
509 1 26 ARG HA 1 66 VAL HA 3.583 . 5.187 2.224 1.830 2.861 0.149 8 0 "[ . 1 . 2]" 2
510 1 26 ARG HA 1 27 TRP HD1 3.812 . 5.629 4.210 3.995 5.058 . 0 0 "[ . 1 . 2]" 2
511 1 67 ARG HA 1 67 ARG QB 2.050 . 2.575 2.462 2.336 2.538 . 0 0 "[ . 1 . 2]" 2
512 1 67 ARG HA 1 70 SER HB3 2.543 . 3.351 2.696 2.381 3.073 . 0 0 "[ . 1 . 2]" 2
513 1 74 LYS HA 1 74 LYS HE2 3.383 . 4.814 4.459 4.112 4.917 0.103 1 0 "[ . 1 . 2]" 2
514 1 11 PRO QD 1 11 PRO QG 1.998 . 2.497 1.968 1.946 1.978 . 0 0 "[ . 1 . 2]" 2
515 1 8 THR MG 1 11 PRO QD 4.351 . 6.718 3.009 2.080 3.689 . 0 0 "[ . 1 . 2]" 2
516 1 38 GLY HA2 1 41 GLU HG3 4.032 . 6.064 4.035 2.714 5.204 . 0 0 "[ . 1 . 2]" 2
517 1 33 LYS HA 1 38 GLY HA2 3.200 . 4.480 2.585 2.266 2.975 . 0 0 "[ . 1 . 2]" 2
518 1 18 GLY HA3 1 19 THR MG 3.439 . 4.917 3.693 3.434 4.038 . 0 0 "[ . 1 . 2]" 2
519 1 18 GLY HA2 1 19 THR MG 3.518 . 5.065 4.586 4.191 4.938 . 0 0 "[ . 1 . 2]" 2
520 1 31 GLY HA3 1 66 VAL MG1 3.949 . 6.700 6.553 6.086 6.912 0.212 9 0 "[ . 1 . 2]" 2
521 1 13 SER QB 1 22 CYS HB2 3.196 . 4.473 3.417 2.969 4.651 0.178 10 0 "[ . 1 . 2]" 2
522 1 27 TRP HE3 1 34 ASP HB3 3.518 . 5.065 3.201 2.662 3.779 . 0 0 "[ . 1 . 2]" 2
523 1 27 TRP HD1 1 74 LYS HE3 4.079 . 6.159 3.383 2.414 4.323 . 0 0 "[ . 1 . 2]" 2
524 1 72 LEU HB2 1 72 LEU MD1 2.108 . 2.664 2.119 1.983 2.149 . 0 0 "[ . 1 . 2]" 2
525 1 23 VAL HB 1 28 LEU MD1 3.228 . 4.530 4.557 4.275 4.868 0.338 2 0 "[ . 1 . 2]" 2
526 1 43 ILE HA 1 47 CYS HB2 3.691 . 5.394 3.444 3.065 3.926 . 0 0 "[ . 1 . 2]" 2
527 1 29 CYS HB3 1 47 CYS HB2 3.573 . 6.000 5.336 5.093 6.124 0.124 9 0 "[ . 1 . 2]" 2
528 1 47 CYS HB3 1 49 TYR QE 3.656 . 5.327 3.722 2.704 4.420 . 0 0 "[ . 1 . 2]" 2
529 1 24 PRO HA 1 24 PRO HB3 2.498 . 3.278 2.283 2.238 2.303 . 0 0 "[ . 1 . 2]" 2
530 1 24 PRO HB3 1 73 ARG HG3 3.091 . 4.285 2.047 1.773 2.866 0.124 3 0 "[ . 1 . 2]" 2
531 1 24 PRO HB3 1 24 PRO HD3 3.192 . 4.465 4.024 3.627 4.060 . 0 0 "[ . 1 . 2]" 2
532 1 13 SER HA 1 24 PRO HB3 3.299 . 4.660 3.763 3.494 4.242 . 0 0 "[ . 1 . 2]" 2
533 1 17 PRO HB2 1 17 PRO HD3 3.070 . 4.248 3.877 3.856 3.898 . 0 0 "[ . 1 . 2]" 2
534 1 17 PRO HB2 1 18 GLY HA3 3.403 . 5.151 4.278 4.164 4.390 . 0 0 "[ . 1 . 2]" 2
535 1 16 CYS HA 1 17 PRO HB2 3.417 . 5.327 4.954 4.817 5.121 . 0 0 "[ . 1 . 2]" 2
536 1 17 PRO HB2 1 44 ALA MB 4.104 . 6.209 4.693 4.430 5.097 . 0 0 "[ . 1 . 2]" 2
537 1 16 CYS HB3 1 35 CYS HA 3.573 . 5.169 3.912 3.398 5.168 . 0 0 "[ . 1 . 2]" 2
538 1 16 CYS HB2 1 35 CYS HA 3.828 . 5.660 4.408 4.102 4.903 . 0 0 "[ . 1 . 2]" 2
539 1 41 GLU HA 1 41 GLU HG3 3.510 . 5.050 3.620 2.680 4.037 . 0 0 "[ . 1 . 2]" 2
540 1 33 LYS HG2 1 41 GLU HG2 3.679 . 5.371 3.344 2.177 4.202 . 0 0 "[ . 1 . 2]" 2
541 1 16 CYS HA 1 35 CYS HB3 4.079 . 6.159 4.250 3.854 5.196 . 0 0 "[ . 1 . 2]" 2
542 1 42 SER HA 1 43 ILE HB 3.679 . 5.371 4.486 4.444 4.565 . 0 0 "[ . 1 . 2]" 2
543 1 48 LEU HA 1 49 TYR HB3 3.798 . 5.601 4.826 4.725 5.567 . 0 0 "[ . 1 . 2]" 2
544 1 43 ILE MD 1 50 ASN HB2 3.431 . 4.903 4.228 3.435 4.643 . 0 0 "[ . 1 . 2]" 2
545 1 49 TYR QE 1 50 ASN HB2 3.783 . 6.000 5.512 3.330 6.111 0.111 9 0 "[ . 1 . 2]" 2
546 1 49 TYR QD 1 50 ASN HB2 4.130 . 6.262 4.177 2.225 5.009 . 0 0 "[ . 1 . 2]" 2
547 1 49 TYR QD 1 50 ASN HB3 3.812 . 5.629 4.651 3.638 4.996 . 0 0 "[ . 1 . 2]" 2
548 1 49 TYR QE 1 50 ASN HB3 3.949 . 6.390 6.297 4.937 6.721 0.331 3 0 "[ . 1 . 2]" 2
549 1 42 SER HB2 1 50 ASN HB3 3.860 . 5.922 5.817 5.061 6.333 0.411 10 0 "[ . 1 . 2]" 2
550 1 49 TYR HB3 1 50 ASN HB2 3.828 . 6.160 6.072 5.502 6.572 0.412 1 0 "[ . 1 . 2]" 2
551 1 5 GLU HB3 1 5 GLU QG 1.917 . 2.377 2.320 2.151 2.524 0.147 10 0 "[ . 1 . 2]" 2
552 1 5 GLU HB2 1 5 GLU QG 1.989 . 2.484 2.323 2.128 2.510 0.026 13 0 "[ . 1 . 2]" 2
553 1 33 LYS QD 1 38 GLY HA3 2.647 . 3.523 2.427 1.753 2.646 0.018 7 0 "[ . 1 . 2]" 2
554 1 33 LYS QD 1 38 GLY HA2 2.591 . 3.430 3.240 2.891 3.402 . 0 0 "[ . 1 . 2]" 2
555 1 33 LYS HA 1 33 LYS QD 2.647 . 6.000 4.047 3.951 4.197 . 0 0 "[ . 1 . 2]" 2
556 1 33 LYS QD 1 37 ASP HA 3.742 . 5.492 3.953 3.595 4.462 . 0 0 "[ . 1 . 2]" 2
557 1 32 ASP HA 1 33 LYS QD 3.742 . 5.492 5.374 5.056 5.750 0.258 7 0 "[ . 1 . 2]" 2
558 1 33 LYS HB2 1 33 LYS QD 2.199 . 2.803 2.478 2.326 2.981 0.178 7 0 "[ . 1 . 2]" 2
559 1 33 LYS QD 1 33 LYS HG2 2.263 . 2.903 2.456 2.151 2.509 . 0 0 "[ . 1 . 2]" 2
560 1 13 SER HA 1 25 GLU HB2 3.645 . 5.306 3.268 3.017 3.727 . 0 0 "[ . 1 . 2]" 2
561 1 25 GLU HB2 1 28 LEU MD2 3.014 . 4.150 3.927 3.754 4.106 . 0 0 "[ . 1 . 2]" 2
562 1 71 HIS HA 1 71 HIS HE1 4.579 . 7.199 6.151 5.377 6.680 . 0 0 "[ . 1 . 2]" 2
563 1 14 PHE HZ 1 16 CYS HA 4.478 . 6.984 4.470 4.196 4.856 . 0 0 "[ . 1 . 2]" 2
564 1 14 PHE HZ 1 28 LEU MD1 4.843 . 7.774 5.544 4.865 5.881 . 0 0 "[ . 1 . 2]" 2
565 1 47 CYS HB2 1 49 TYR QE 3.860 . 5.722 4.724 3.856 5.084 . 0 0 "[ . 1 . 2]" 2
566 1 12 SER QB 1 13 SER HA 3.634 . 5.285 4.381 4.207 4.848 . 0 0 "[ . 1 . 2]" 2
567 1 24 PRO HD2 1 27 TRP HB2 4.478 . 6.984 2.477 1.940 3.145 0.032 4 0 "[ . 1 . 2]" 2
568 1 47 CYS HB3 1 49 TYR QD 3.969 . 5.938 3.758 3.282 4.175 . 0 0 "[ . 1 . 2]" 2
569 1 16 CYS HB2 1 19 THR MG 2.756 . 6.000 4.769 4.353 5.139 . 0 0 "[ . 1 . 2]" 2
570 1 19 THR HB 1 19 THR MG 1.844 . 2.269 2.088 2.071 2.119 . 0 0 "[ . 1 . 2]" 2
571 1 19 THR HA 1 19 THR MG 1.961 . 2.441 2.311 2.187 2.383 . 0 0 "[ . 1 . 2]" 2
572 1 64 LEU HA 1 67 ARG QD 2.814 . 3.803 3.059 2.157 3.892 0.089 6 0 "[ . 1 . 2]" 2
573 1 27 TRP HZ2 1 77 LYS HA 3.592 . 5.205 4.889 3.553 5.420 0.215 6 0 "[ . 1 . 2]" 2
574 1 28 LEU MD2 1 65 ARG QD 2.801 . 6.000 3.868 3.021 4.519 . 0 0 "[ . 1 . 2]" 2
575 1 28 LEU HB3 1 28 LEU MD2 2.146 . 2.722 2.542 2.399 2.598 . 0 0 "[ . 1 . 2]" 2
576 1 23 VAL HA 1 27 TRP HE3 3.645 . 5.306 3.684 3.224 4.154 . 0 0 "[ . 1 . 2]" 2
577 1 23 VAL HA 1 27 TRP HZ3 3.563 . 5.150 4.693 4.061 5.262 0.112 19 0 "[ . 1 . 2]" 2
578 1 30 ASP HB3 1 32 ASP HB3 4.391 . 7.001 6.848 5.889 7.561 0.560 8 1 "[ . + 1 . 2]" 2
579 1 27 TRP HD1 1 30 ASP HB2 4.579 . 7.199 5.076 4.324 5.999 . 0 0 "[ . 1 . 2]" 2
580 1 33 LYS QE 1 33 LYS HG2 2.495 . 3.273 2.167 1.984 3.283 0.010 7 0 "[ . 1 . 2]" 2
581 1 33 LYS QE 1 38 GLY HA3 2.970 . 4.072 2.055 1.930 3.549 . 0 0 "[ . 1 . 2]" 2
582 1 33 LYS QE 1 38 GLY HA2 2.838 . 3.845 3.372 2.651 3.907 0.062 7 0 "[ . 1 . 2]" 2
583 1 23 VAL MG1 1 40 ASP HB3 3.094 . 6.000 2.334 1.844 3.410 . 0 0 "[ . 1 . 2]" 2
584 1 28 LEU MD1 1 40 ASP HB3 2.927 . 3.998 3.177 1.939 3.838 . 0 0 "[ . 1 . 2]" 2
585 1 9 CYS HB2 1 22 CYS HA 4.130 . 6.262 5.937 4.512 6.323 0.061 11 0 "[ . 1 . 2]" 2
586 1 8 THR MG 1 9 CYS HB2 4.314 . 6.641 5.618 4.792 6.228 . 0 0 "[ . 1 . 2]" 2
587 1 8 THR MG 1 9 CYS HB3 4.185 . 6.374 5.684 4.862 6.403 0.029 2 0 "[ . 1 . 2]" 2
588 1 48 LEU QB 1 49 TYR HB3 3.877 . 5.755 3.740 3.626 3.925 . 0 0 "[ . 1 . 2]" 2
589 1 48 LEU QB 1 49 TYR HB2 4.032 . 6.064 5.176 4.994 5.361 . 0 0 "[ . 1 . 2]" 2
590 1 19 THR HB 1 21 VAL MG1 2.124 . 2.688 2.065 1.908 2.197 . 0 0 "[ . 1 . 2]" 2
591 1 16 CYS HB3 1 21 VAL MG1 2.732 . 3.665 2.297 1.869 2.602 . 0 0 "[ . 1 . 2]" 2
592 1 16 CYS HB2 1 21 VAL MG1 2.576 . 3.406 1.849 1.774 2.142 . 0 0 "[ . 1 . 2]" 2
593 1 19 THR MG 1 20 HIS HB3 3.729 . 6.000 5.904 5.558 6.067 0.067 14 0 "[ . 1 . 2]" 2
594 1 19 THR MG 1 35 CYS HA 3.860 . 5.722 4.978 4.678 5.308 . 0 0 "[ . 1 . 2]" 2
595 1 7 LYS QB 1 27 TRP HZ2 4.130 . 6.262 4.755 2.278 5.922 . 0 0 "[ . 1 . 2]" 2
596 1 26 ARG QD 1 27 TRP HA 4.185 . 6.374 4.042 2.999 5.497 . 0 0 "[ . 1 . 2]" 2
597 1 49 TYR QD 1 57 GLY QA 4.579 . 7.199 3.814 2.646 5.477 . 0 0 "[ . 1 . 2]" 2
598 1 13 SER QB 1 14 PHE QD 4.526 . 7.087 5.816 5.582 6.093 . 0 0 "[ . 1 . 2]" 2
599 1 19 THR HA 1 36 ALA MB 4.246 . 6.500 5.273 4.820 5.613 . 0 0 "[ . 1 . 2]" 2
600 1 49 TYR QE 1 58 SER HB2 3.679 . 5.371 3.959 2.416 5.414 0.043 10 0 "[ . 1 . 2]" 2
601 1 7 LYS HE3 1 27 TRP HH2 4.766 . 7.606 3.954 1.923 6.312 0.003 15 0 "[ . 1 . 2]" 2
602 1 14 PHE QD 1 40 ASP HB2 3.812 . 5.629 3.855 3.013 4.649 . 0 0 "[ . 1 . 2]" 2
603 1 28 LEU HB3 1 47 CYS HB2 3.812 . 5.629 3.774 3.175 4.310 . 0 0 "[ . 1 . 2]" 2
604 1 45 ALA MB 1 47 CYS HB2 3.828 . 5.660 3.588 3.394 3.825 . 0 0 "[ . 1 . 2]" 2
605 1 74 LYS HA 1 74 LYS QB 2.207 . 2.816 2.458 2.314 2.538 . 0 0 "[ . 1 . 2]" 2
606 1 8 THR HA 1 9 CYS HA 3.755 . 5.518 4.875 4.404 5.362 . 0 0 "[ . 1 . 2]" 2
607 1 24 PRO HA 1 27 TRP HD1 4.433 . 6.889 5.756 5.390 6.362 . 0 0 "[ . 1 . 2]" 2
608 1 43 ILE HA 1 47 CYS HA 3.645 . 5.306 4.780 4.605 4.976 . 0 0 "[ . 1 . 2]" 2
609 1 14 PHE QD 1 15 SER HB2 4.579 . 7.199 5.312 4.534 6.082 . 0 0 "[ . 1 . 2]" 2
610 1 14 PHE QD 1 15 SER HB3 4.843 . 7.774 4.978 4.492 5.712 . 0 0 "[ . 1 . 2]" 2
611 1 16 CYS HB3 1 36 ALA MB 4.391 . 6.801 4.505 3.570 5.468 . 0 0 "[ . 1 . 2]" 2
612 1 16 CYS HB3 1 17 PRO HD3 3.573 . 5.169 4.402 3.948 4.568 . 0 0 "[ . 1 . 2]" 2
613 1 16 CYS HB2 1 17 PRO HD3 3.603 . 5.225 4.771 4.357 4.988 . 0 0 "[ . 1 . 2]" 2
614 1 35 CYS HB3 1 36 ALA MB 4.314 . 6.641 3.674 3.486 4.077 . 0 0 "[ . 1 . 2]" 2
615 1 35 CYS HB2 1 36 ALA MB 4.391 . 6.801 4.927 4.743 5.268 . 0 0 "[ . 1 . 2]" 2
616 1 14 PHE QE 1 35 CYS HB3 4.579 . 7.199 5.058 4.586 5.450 . 0 0 "[ . 1 . 2]" 2
617 1 14 PHE HZ 1 35 CYS HB2 4.478 . 6.984 6.751 6.455 7.039 0.055 11 0 "[ . 1 . 2]" 2
618 1 38 GLY HA3 1 41 GLU HB3 4.391 . 6.801 5.276 4.818 5.799 . 0 0 "[ . 1 . 2]" 2
619 1 38 GLY HA2 1 41 GLU HB3 4.157 . 6.317 5.441 5.247 5.648 . 0 0 "[ . 1 . 2]" 2
620 1 5 GLU HB3 1 6 GLY QA 3.518 . 5.065 5.069 3.959 5.471 0.406 7 0 "[ . 1 . 2]" 2
621 1 5 GLU QG 1 6 GLY QA 3.860 . 5.722 4.201 2.988 5.275 . 0 0 "[ . 1 . 2]" 2
622 1 6 GLY QA 1 24 PRO HD3 4.185 . 7.174 6.977 5.732 7.501 0.327 3 0 "[ . 1 . 2]" 2
623 1 31 GLY HA2 1 32 ASP HA 3.894 . 5.789 4.403 4.333 4.500 . 0 0 "[ . 1 . 2]" 2
624 1 46 GLY HA2 1 65 ARG QD 4.279 . 6.568 5.476 4.982 5.874 . 0 0 "[ . 1 . 2]" 2
625 1 46 GLY HA3 1 65 ARG QD 4.079 . 6.159 4.802 4.112 5.295 . 0 0 "[ . 1 . 2]" 2
626 1 45 ALA MB 1 46 GLY HA2 4.279 . 6.568 4.614 4.566 4.694 . 0 0 "[ . 1 . 2]" 2
627 1 24 PRO HD2 1 27 TRP HE3 4.433 . 6.889 2.746 2.344 3.066 . 0 0 "[ . 1 . 2]" 2
628 1 23 VAL HB 1 35 CYS HA 4.928 . 7.964 4.320 3.978 4.792 . 0 0 "[ . 1 . 2]" 2
629 1 27 TRP HE3 1 35 CYS HA 4.698 . 7.457 6.733 6.136 7.204 . 0 0 "[ . 1 . 2]" 2
630 1 37 ASP HA 1 38 GLY HA3 3.729 . 5.467 4.353 4.337 4.364 . 0 0 "[ . 1 . 2]" 2
631 1 14 PHE QD 1 22 CYS HA 4.391 . 6.801 5.650 5.253 6.051 . 0 0 "[ . 1 . 2]" 2
632 1 28 LEU MD1 1 41 GLU HA 4.055 . 6.111 4.887 4.263 5.276 . 0 0 "[ . 1 . 2]" 2
633 1 29 CYS HB3 1 41 GLU HA 3.518 . 5.065 4.870 4.485 5.299 0.234 8 0 "[ . 1 . 2]" 2
634 1 38 GLY HA3 1 41 GLU HA 3.877 . 5.755 6.165 5.907 6.358 0.603 1 2 "[+ - 1 . 2]" 2
635 1 29 CYS HA 1 41 GLU HB2 3.545 . 5.216 5.320 4.837 5.582 0.366 8 0 "[ . 1 . 2]" 2
636 1 43 ILE HG12 1 44 ALA HA 3.812 . 5.629 5.288 5.070 5.388 . 0 0 "[ . 1 . 2]" 2
637 1 43 ILE HB 1 48 LEU HA 4.010 . 6.020 5.096 4.484 5.702 . 0 0 "[ . 1 . 2]" 2
638 1 74 LYS HG2 1 75 LEU HA 3.828 . 6.360 6.248 5.499 6.640 0.280 18 0 "[ . 1 . 2]" 2
639 1 20 HIS HA 1 21 VAL HB 3.798 . 5.701 5.737 5.272 5.881 0.180 15 0 "[ . 1 . 2]" 2
640 1 20 HIS HA 1 21 VAL HA 4.104 . 6.209 4.782 4.454 4.876 . 0 0 "[ . 1 . 2]" 2
641 1 7 LYS HA 1 8 THR MG 3.150 . 4.390 3.623 2.952 4.300 . 0 0 "[ . 1 . 2]" 2
642 1 7 LYS HA 1 27 TRP HZ2 4.314 . 6.641 5.792 4.522 6.822 0.181 15 0 "[ . 1 . 2]" 2
643 1 71 HIS HA 1 72 LEU HA 3.798 . 5.601 4.496 4.439 4.534 . 0 0 "[ . 1 . 2]" 2
644 1 33 LYS HA 1 41 GLU HA 3.679 . 5.371 5.284 4.947 5.460 0.089 10 0 "[ . 1 . 2]" 2
645 1 25 GLU QG 1 26 ARG HA 3.377 . 4.802 4.844 4.728 4.964 0.162 4 0 "[ . 1 . 2]" 2
646 1 17 PRO HB2 1 39 ALA HA 3.703 . 6.167 5.309 5.109 5.656 . 0 0 "[ . 1 . 2]" 2
647 1 77 LYS HA 1 77 LYS QE 3.545 . 5.116 3.932 1.979 4.763 . 0 0 "[ . 1 . 2]" 2
648 1 14 PHE HA 1 25 GLU HA 4.130 . 6.262 5.762 5.127 6.046 . 0 0 "[ . 1 . 2]" 2
649 1 64 LEU HA 1 67 ARG QB 2.340 . 3.025 2.934 2.473 3.327 0.302 11 0 "[ . 1 . 2]" 2
650 1 42 SER HA 1 50 ASN HB2 4.157 . 6.317 2.385 1.988 3.627 0.009 7 0 "[ . 1 . 2]" 2
651 1 13 SER HA 1 28 LEU MD2 3.894 . 5.789 4.905 4.529 5.426 . 0 0 "[ . 1 . 2]" 2
652 1 43 ILE HG12 1 49 TYR HA 3.894 . 5.789 5.285 4.882 5.906 0.117 10 0 "[ . 1 . 2]" 2
653 1 43 ILE HB 1 49 TYR HA 3.656 . 5.327 3.894 3.380 4.773 . 0 0 "[ . 1 . 2]" 2
654 1 49 TYR HA 1 50 ASN HB2 3.656 . 5.327 4.483 4.004 4.897 . 0 0 "[ . 1 . 2]" 2
655 1 22 CYS HA 1 23 VAL HA 4.526 . 7.087 4.381 4.365 4.409 . 0 0 "[ . 1 . 2]" 2
656 1 13 SER QB 1 23 VAL HA 3.949 . 5.898 5.059 4.491 5.650 . 0 0 "[ . 1 . 2]" 2
657 1 23 VAL HA 1 28 LEU MD1 4.391 . 6.801 4.987 4.658 5.385 . 0 0 "[ . 1 . 2]" 2
658 1 29 CYS HB2 1 63 GLU HA 4.104 . 6.209 5.018 4.244 6.210 0.001 6 0 "[ . 1 . 2]" 2
659 1 74 LYS HA 1 74 LYS HG2 2.591 . 3.430 3.256 2.142 3.722 0.292 2 0 "[ . 1 . 2]" 2
660 1 74 LYS HA 1 74 LYS HD2 2.280 . 2.930 2.786 1.965 3.860 0.930 5 1 "[ + 1 . 2]" 2
661 1 27 TRP HZ2 1 74 LYS HA 4.215 . 6.436 3.346 2.354 3.981 . 0 0 "[ . 1 . 2]" 2
662 1 27 TRP HH2 1 74 LYS HA 4.215 . 6.436 5.631 4.578 6.301 . 0 0 "[ . 1 . 2]" 2
663 1 11 PRO QD 1 12 SER HA 3.969 . 6.038 5.876 5.220 6.355 0.317 4 0 "[ . 1 . 2]" 2
664 1 43 ILE MG 1 44 ALA HA 2.344 . 3.031 3.091 3.031 3.153 0.122 10 0 "[ . 1 . 2]" 2
665 1 29 CYS HA 1 66 VAL MG1 3.485 . 5.003 4.925 4.690 5.151 0.148 3 0 "[ . 1 . 2]" 2
666 1 48 LEU HA 1 48 LEU MD1 1.787 . 2.186 2.038 1.955 2.116 . 0 0 "[ . 1 . 2]" 2
667 1 48 LEU MD1 1 65 ARG QD 2.942 . 4.024 3.174 2.946 3.478 . 0 0 "[ . 1 . 2]" 2
668 1 46 GLY HA2 1 48 LEU MD1 3.328 . 4.712 3.217 2.769 3.495 . 0 0 "[ . 1 . 2]" 2
669 1 48 LEU MD1 1 49 TYR QD 3.679 . 5.371 5.037 4.649 5.269 . 0 0 "[ . 1 . 2]" 2
670 1 72 LEU MD1 1 76 ARG HB2 2.288 . 2.943 2.697 2.144 3.133 0.190 1 0 "[ . 1 . 2]" 2
671 1 72 LEU HA 1 72 LEU MD1 1.783 . 2.730 2.822 2.757 2.946 0.216 16 0 "[ . 1 . 2]" 2
672 1 28 LEU MD2 1 40 ASP HB3 2.799 . 6.000 5.718 4.668 6.349 0.349 5 0 "[ . 1 . 2]" 2
673 1 14 PHE QE 1 28 LEU MD2 3.051 . 6.000 4.993 4.614 5.254 . 0 0 "[ . 1 . 2]" 2
674 1 61 THR HA 1 64 LEU MD2 1.938 . 2.407 2.099 1.841 2.404 . 0 0 "[ . 1 . 2]" 2
675 1 74 LYS HA 1 74 LYS HG3 2.776 . 3.739 3.078 2.284 3.847 0.108 3 0 "[ . 1 . 2]" 2
676 1 77 LYS QE 1 77 LYS HG2 2.724 . 3.651 2.543 1.957 3.508 . 0 0 "[ . 1 . 2]" 2
677 1 24 PRO HG2 1 73 ARG HG3 3.370 . 4.990 3.525 2.076 4.378 . 0 0 "[ . 1 . 2]" 2
678 1 28 LEU HG 1 40 ASP HB2 3.844 . 5.691 4.113 3.338 5.726 0.035 9 0 "[ . 1 . 2]" 2
679 1 8 THR MG 1 11 PRO QG 4.185 . 6.374 3.428 1.957 4.166 0.039 17 0 "[ . 1 . 2]" 2
680 1 43 ILE HG13 1 46 GLY HA2 4.433 . 6.889 3.293 3.052 3.520 . 0 0 "[ . 1 . 2]" 2
681 1 25 GLU HB2 1 28 LEU MD1 4.079 . 6.159 4.555 4.262 5.064 . 0 0 "[ . 1 . 2]" 2
682 1 25 GLU HB2 1 25 GLU QG 2.173 . 2.763 2.365 2.187 2.521 . 0 0 "[ . 1 . 2]" 2
683 1 25 GLU HA 1 25 GLU HB2 2.574 . 3.402 2.745 2.709 2.772 . 0 0 "[ . 1 . 2]" 2
684 1 13 SER QB 1 25 GLU HB2 4.246 . 6.500 4.995 4.585 5.223 . 0 0 "[ . 1 . 2]" 2
685 1 33 LYS QD 1 41 GLU HG3 3.844 . 5.691 4.795 3.811 5.920 0.229 8 0 "[ . 1 . 2]" 2
686 1 33 LYS QD 1 41 GLU HB3 3.969 . 5.938 5.841 4.533 6.255 0.317 1 0 "[ . 1 . 2]" 2
687 1 33 LYS HB2 1 33 LYS QE 3.257 . 4.583 3.831 1.906 4.209 0.025 7 0 "[ . 1 . 2]" 2
688 1 33 LYS HB3 1 33 LYS QE 3.403 . 4.851 3.421 1.926 3.679 0.029 3 0 "[ . 1 . 2]" 2
689 1 33 LYS HB3 1 33 LYS HG2 2.851 . 3.867 2.426 2.365 2.494 . 0 0 "[ . 1 . 2]" 2
690 1 41 GLU HB3 1 49 TYR QE 4.579 . 7.199 3.693 2.887 5.175 . 0 0 "[ . 1 . 2]" 2
691 1 10 GLY QA 1 11 PRO HB2 3.200 . 6.000 5.218 4.911 5.406 . 0 0 "[ . 1 . 2]" 2
692 1 14 PHE QE 1 17 PRO HB2 4.478 . 6.984 5.081 4.808 5.405 . 0 0 "[ . 1 . 2]" 2
693 1 14 PHE HZ 1 17 PRO HB2 4.246 . 6.500 4.643 4.444 4.988 . 0 0 "[ . 1 . 2]" 2
694 1 13 SER QB 1 24 PRO HB3 3.613 . 5.245 4.249 3.492 4.830 . 0 0 "[ . 1 . 2]" 2
695 1 24 PRO HB3 1 27 TRP HD1 3.877 . 5.755 4.469 3.980 5.460 . 0 0 "[ . 1 . 2]" 2
696 1 24 PRO HB3 1 24 PRO HD2 3.310 . 4.680 3.898 3.873 3.985 . 0 0 "[ . 1 . 2]" 2
697 1 16 CYS HB3 1 23 VAL HB 4.246 . 6.500 5.159 4.927 5.473 . 0 0 "[ . 1 . 2]" 2
698 1 45 ALA MB 1 47 CYS HB3 4.185 . 6.374 5.008 4.652 5.311 . 0 0 "[ . 1 . 2]" 2
699 1 29 CYS HB2 1 49 TYR QE 4.215 . 6.436 4.225 3.780 4.715 . 0 0 "[ . 1 . 2]" 2
700 1 29 CYS HB2 1 49 TYR QD 4.526 . 7.087 6.243 5.972 6.628 . 0 0 "[ . 1 . 2]" 2
701 1 14 PHE QE 1 16 CYS HB3 4.246 . 6.500 5.682 5.230 6.122 . 0 0 "[ . 1 . 2]" 2
702 1 43 ILE HB 1 50 ASN HB3 4.526 . 7.087 3.408 2.261 3.942 . 0 0 "[ . 1 . 2]" 2
703 1 41 GLU HB2 1 50 ASN HB3 4.635 . 7.321 7.254 6.537 7.689 0.368 3 0 "[ . 1 . 2]" 2
704 1 43 ILE HB 1 50 ASN HB2 4.351 . 6.718 3.000 1.971 3.813 0.013 16 0 "[ . 1 . 2]" 2
705 1 9 CYS HB3 1 10 GLY QA 4.579 . 7.199 4.861 4.127 5.244 . 0 0 "[ . 1 . 2]" 2
706 1 9 CYS HB2 1 10 GLY QA 4.478 . 6.984 4.202 3.738 5.311 . 0 0 "[ . 1 . 2]" 2
707 1 26 ARG HA 1 28 LEU HB2 4.157 . 6.317 4.412 3.908 4.569 . 0 0 "[ . 1 . 2]" 2
708 1 28 LEU HB3 1 40 ASP HB2 4.010 . 6.220 4.977 4.259 6.859 0.639 2 3 "[ + * -1 . 2]" 2
709 1 25 GLU QG 1 28 LEU HB2 4.157 . 6.317 3.569 3.292 3.828 . 0 0 "[ . 1 . 2]" 2
710 1 14 PHE QE 1 40 ASP HB3 3.894 . 5.789 4.385 3.791 5.102 . 0 0 "[ . 1 . 2]" 2
711 1 14 PHE QD 1 40 ASP HB3 4.079 . 6.159 3.783 2.934 4.926 . 0 0 "[ . 1 . 2]" 2
712 1 14 PHE QE 1 40 ASP HB2 4.010 . 6.020 4.803 3.765 5.567 . 0 0 "[ . 1 . 2]" 2
713 1 28 LEU MD2 1 40 ASP HB2 4.055 . 6.111 5.028 4.435 6.165 0.054 9 0 "[ . 1 . 2]" 2
714 1 6 GLY QA 1 77 LYS QE 3.912 . 5.825 4.852 3.340 5.670 . 0 0 "[ . 1 . 2]" 2
715 1 30 ASP HB3 1 74 LYS HE3 3.949 . 5.898 3.747 3.042 4.677 . 0 0 "[ . 1 . 2]" 2
716 1 33 LYS QE 1 41 GLU HB3 3.912 . 5.825 4.762 3.909 6.219 0.394 3 0 "[ . 1 . 2]" 2
717 1 27 TRP HD1 1 30 ASP HB3 4.478 . 6.984 4.492 3.982 5.311 . 0 0 "[ . 1 . 2]" 2
718 1 71 HIS HD2 1 72 LEU HB2 4.433 . 6.889 4.879 4.081 5.586 . 0 0 "[ . 1 . 2]" 2
719 1 61 THR MG 1 64 LEU HB3 3.328 . 4.712 3.753 3.579 3.872 . 0 0 "[ . 1 . 2]" 2
720 1 64 LEU HA 1 64 LEU HB2 2.199 . 2.803 2.926 2.902 2.944 0.141 19 0 "[ . 1 . 2]" 2
721 1 71 HIS HD2 1 72 LEU HB3 4.032 . 6.064 4.955 3.368 6.113 0.049 3 0 "[ . 1 . 2]" 2
722 1 48 LEU QB 1 58 SER HA 4.104 . 6.209 4.242 3.532 5.313 . 0 0 "[ . 1 . 2]" 2
723 1 27 TRP HE3 1 34 ASP HB2 3.592 . 5.205 3.779 3.057 4.697 . 0 0 "[ . 1 . 2]" 2
724 1 23 VAL MG2 1 34 ASP HB2 2.920 . 3.986 2.521 2.018 3.905 . 0 0 "[ . 1 . 2]" 2
725 1 14 PHE HB2 1 28 LEU MD1 3.573 . 5.169 2.706 2.295 3.004 . 0 0 "[ . 1 . 2]" 2
726 1 12 SER HA 1 25 GLU HB3 3.170 . 4.426 4.691 4.084 5.236 0.810 20 5 "[ .* 1 * .-* +]" 2
727 1 7 LYS HA 1 27 TRP HH2 4.526 . 7.087 5.429 4.257 6.649 . 0 0 "[ . 1 . 2]" 2
728 1 48 LEU QB 1 65 ARG QD 4.185 . 6.374 4.399 4.273 4.668 . 0 0 "[ . 1 . 2]" 2
729 1 71 HIS HA 1 71 HIS HD2 3.026 . 6.000 4.721 3.896 5.074 . 0 0 "[ . 1 . 2]" 2
730 1 24 PRO HG3 1 27 TRP HZ2 5.273 . 8.749 5.036 3.810 5.768 . 0 0 "[ . 1 . 2]" 2
731 1 49 TYR QE 1 61 THR MG 4.478 . 6.984 7.005 6.767 7.172 0.188 8 0 "[ . 1 . 2]" 2
732 1 49 TYR QD 1 61 THR MG 4.433 . 6.889 6.795 6.326 7.101 0.212 1 0 "[ . 1 . 2]" 2
733 1 19 THR MG 1 20 HIS HE1 4.055 . 6.111 6.088 5.111 6.270 0.159 8 0 "[ . 1 . 2]" 2
734 1 6 GLY QA 1 7 LYS QB 3.844 . 5.691 4.002 3.682 4.729 . 0 0 "[ . 1 . 2]" 2
735 1 77 LYS HA 1 77 LYS HG3 2.312 . 2.980 2.889 2.025 3.457 0.477 15 0 "[ . 1 . 2]" 2
736 1 14 PHE QE 1 43 ILE MG 4.433 . 6.889 6.704 6.483 6.933 0.044 3 0 "[ . 1 . 2]" 2
737 1 14 PHE HZ 1 42 SER HB3 4.433 . 6.889 6.579 5.536 6.997 0.108 18 0 "[ . 1 . 2]" 2
738 1 29 CYS H 1 30 ASP H 2.206 . 6.500 2.981 2.629 3.156 . 0 0 "[ . 1 . 2]" 2
739 1 30 ASP H 1 32 ASP H 2.271 . 6.500 3.750 3.546 4.153 . 0 0 "[ . 1 . 2]" 2
740 1 30 ASP H 1 31 GLY HA2 3.426 . 5.043 4.886 4.697 5.025 . 0 0 "[ . 1 . 2]" 2
741 1 30 ASP H 1 30 ASP HB3 2.640 . 3.511 2.354 2.058 2.691 . 0 0 "[ . 1 . 2]" 2
742 1 29 CYS H 1 31 GLY H 2.881 . 6.500 5.014 4.773 5.169 . 0 0 "[ . 1 . 2]" 2
743 1 29 CYS HA 1 31 GLY H 2.955 . 4.046 3.181 2.977 3.344 . 0 0 "[ . 1 . 2]" 2
744 1 31 GLY H 1 31 GLY HA2 2.665 . 3.553 2.445 2.384 2.457 . 0 0 "[ . 1 . 2]" 2
745 1 29 CYS H 1 29 CYS HB2 3.177 . 4.439 2.756 2.356 2.963 . 0 0 "[ . 1 . 2]" 2
746 1 28 LEU HB2 1 29 CYS H 2.938 . 4.017 2.529 2.378 2.826 . 0 0 "[ . 1 . 2]" 2
747 1 39 ALA H 1 40 ASP H 2.317 . 2.988 2.699 2.604 2.741 . 0 0 "[ . 1 . 2]" 2
748 1 38 GLY H 1 39 ALA H 2.184 . 2.780 2.687 2.609 2.791 0.011 3 0 "[ . 1 . 2]" 2
749 1 39 ALA H 1 41 GLU H 3.031 . 4.179 4.231 4.038 4.317 0.138 1 0 "[ . 1 . 2]" 2
750 1 39 ALA H 1 42 SER H 3.017 . 6.500 4.575 4.479 4.807 . 0 0 "[ . 1 . 2]" 2
751 1 35 CYS HB3 1 39 ALA H 2.535 . 3.339 2.640 1.985 2.929 . 0 0 "[ . 1 . 2]" 2
752 1 35 CYS HB2 1 39 ALA H 2.932 . 4.007 2.240 2.014 2.891 . 0 0 "[ . 1 . 2]" 2
753 1 22 CYS H 1 22 CYS HB3 3.285 . 4.634 3.341 2.932 3.833 . 0 0 "[ . 1 . 2]" 2
754 1 16 CYS H 1 16 CYS HB3 3.218 . 4.512 3.367 2.728 3.559 . 0 0 "[ . 1 . 2]" 2
755 1 16 CYS H 1 23 VAL H 3.337 . 4.729 2.653 2.416 2.982 . 0 0 "[ . 1 . 2]" 2
756 1 15 SER HB3 1 16 CYS H 3.031 . 4.179 4.114 3.593 4.568 0.389 10 0 "[ . 1 . 2]" 2
757 1 16 CYS H 1 16 CYS HB2 3.365 . 4.780 2.199 2.059 2.412 . 0 0 "[ . 1 . 2]" 2
758 1 34 ASP H 1 40 ASP H 3.310 . 4.680 4.441 3.877 4.619 . 0 0 "[ . 1 . 2]" 2
759 1 35 CYS H 1 40 ASP H 2.503 . 3.286 3.132 2.915 3.407 0.121 14 0 "[ . 1 . 2]" 2
760 1 40 ASP H 1 42 SER H 2.558 . 6.500 3.735 3.624 3.903 . 0 0 "[ . 1 . 2]" 2
761 1 14 PHE QD 1 40 ASP H 3.426 . 4.893 4.496 4.337 4.630 . 0 0 "[ . 1 . 2]" 2
762 1 35 CYS HB2 1 40 ASP H 2.998 . 4.121 2.077 1.868 2.319 0.007 2 0 "[ . 1 . 2]" 2
763 1 14 PHE H 1 14 PHE QD 2.862 . 6.500 4.235 4.027 4.381 . 0 0 "[ . 1 . 2]" 2
764 1 14 PHE H 1 15 SER H 3.285 . 4.634 4.166 3.907 4.392 . 0 0 "[ . 1 . 2]" 2
765 1 34 ASP HA 1 35 CYS H 3.132 . 4.358 3.515 3.404 3.554 . 0 0 "[ . 1 . 2]" 2
766 1 34 ASP H 1 35 CYS H 2.067 . 2.601 2.457 1.995 2.773 0.172 4 0 "[ . 1 . 2]" 2
767 1 35 CYS H 1 39 ALA H 2.685 . 6.500 4.122 3.844 4.390 . 0 0 "[ . 1 . 2]" 2
768 1 33 LYS HA 1 35 CYS H 3.059 . 4.229 3.605 3.165 3.733 . 0 0 "[ . 1 . 2]" 2
769 1 35 CYS H 1 35 CYS HB3 2.857 . 3.877 3.476 2.983 3.571 . 0 0 "[ . 1 . 2]" 2
770 1 35 CYS H 1 35 CYS HB2 2.571 . 3.397 2.253 2.109 2.344 . 0 0 "[ . 1 . 2]" 2
771 1 34 ASP HB2 1 35 CYS H 2.378 . 3.385 3.068 2.500 3.937 0.552 10 1 "[ . + . 2]" 2
772 1 24 PRO HB2 1 27 TRP H 2.862 . 3.886 2.545 2.010 2.988 . 0 0 "[ . 1 . 2]" 2
773 1 27 TRP H 1 27 TRP HE1 3.365 . 6.500 4.688 4.462 5.000 . 0 0 "[ . 1 . 2]" 2
774 1 27 TRP H 1 27 TRP HD1 3.132 . 4.358 2.379 2.138 2.710 . 0 0 "[ . 1 . 2]" 2
775 1 27 TRP H 1 27 TRP HB3 3.074 . 4.256 3.622 3.566 3.663 . 0 0 "[ . 1 . 2]" 2
776 1 24 PRO HB2 1 26 ARG H 3.460 . 4.956 2.868 2.318 3.187 . 0 0 "[ . 1 . 2]" 2
777 1 25 GLU QG 1 26 ARG H 2.703 . 6.500 4.371 4.228 4.471 . 0 0 "[ . 1 . 2]" 2
778 1 37 ASP H 1 40 ASP H 3.177 . 6.500 5.157 4.955 5.469 . 0 0 "[ . 1 . 2]" 2
779 1 37 ASP H 1 39 ALA H 2.633 . 3.499 2.862 2.813 2.955 . 0 0 "[ . 1 . 2]" 2
780 1 1 GLY QA 1 37 ASP H 3.098 . 6.500 6.318 5.339 6.703 0.203 11 0 "[ . 1 . 2]" 2
781 1 37 ASP H 1 37 ASP HB2 2.814 . 3.804 2.582 2.417 2.755 . 0 0 "[ . 1 . 2]" 2
782 1 37 ASP H 1 37 ASP HB3 3.052 . 4.216 3.513 3.067 3.829 . 0 0 "[ . 1 . 2]" 2
783 1 28 LEU H 1 29 CYS H 2.802 . 3.783 2.904 2.552 3.420 . 0 0 "[ . 1 . 2]" 2
784 1 28 LEU H 1 28 LEU HB2 2.391 . 3.305 2.140 2.058 2.238 . 0 0 "[ . 1 . 2]" 2
785 1 28 LEU H 1 30 ASP H 3.674 . 5.361 4.020 3.486 4.568 . 0 0 "[ . 1 . 2]" 2
786 1 27 TRP HB3 1 28 LEU H 3.864 . 5.730 4.242 3.811 4.485 . 0 0 "[ . 1 . 2]" 2
787 1 28 LEU H 1 28 LEU HB3 2.814 . 3.804 3.424 3.337 3.509 . 0 0 "[ . 1 . 2]" 2
788 1 79 LEU QB 1 80 LEU H 1.859 . 2.291 2.105 1.875 2.518 0.227 6 0 "[ . 1 . 2]" 2
789 1 13 SER H 1 14 PHE H 2.726 . 6.500 4.407 4.312 4.456 . 0 0 "[ . 1 . 2]" 2
790 1 13 SER H 1 25 GLU H 3.011 . 4.144 4.211 4.079 4.377 0.233 9 0 "[ . 1 . 2]" 2
791 1 12 SER HA 1 13 SER H 2.682 . 3.581 2.394 2.239 2.621 . 0 0 "[ . 1 . 2]" 2
792 1 12 SER QB 1 13 SER H 3.074 . 4.256 3.877 3.743 4.052 . 0 0 "[ . 1 . 2]" 2
793 1 34 ASP H 1 41 GLU H 3.106 . 4.312 4.299 3.914 4.625 0.313 8 0 "[ . 1 . 2]" 2
794 1 40 ASP H 1 41 GLU H 2.227 . 2.847 2.634 2.502 2.734 . 0 0 "[ . 1 . 2]" 2
795 1 38 GLY HA2 1 41 GLU H 3.149 . 4.389 3.271 3.126 3.387 . 0 0 "[ . 1 . 2]" 2
796 1 40 ASP HA 1 41 GLU H 3.460 . 4.956 3.517 3.463 3.546 . 0 0 "[ . 1 . 2]" 2
797 1 41 GLU H 1 41 GLU HB2 2.771 . 3.731 2.601 2.449 3.147 . 0 0 "[ . 1 . 2]" 2
798 1 42 SER H 1 43 ILE H 3.024 . 6.500 4.581 4.526 4.617 . 0 0 "[ . 1 . 2]" 2
799 1 41 GLU H 1 42 SER H 2.074 . 2.612 2.330 2.152 2.454 . 0 0 "[ . 1 . 2]" 2
800 1 42 SER H 1 42 SER HB3 2.835 . 3.840 3.583 3.429 3.683 . 0 0 "[ . 1 . 2]" 2
801 1 42 SER H 1 42 SER HB2 2.722 . 3.648 2.454 2.123 2.792 . 0 0 "[ . 1 . 2]" 2
802 1 42 SER H 1 45 ALA MB 2.967 . 4.067 3.972 3.486 4.130 0.063 2 0 "[ . 1 . 2]" 2
803 1 46 GLY H 1 47 CYS H 2.050 . 2.575 2.060 2.007 2.155 . 0 0 "[ . 1 . 2]" 2
804 1 46 GLY HA2 1 47 CYS H 2.756 . 3.706 2.862 2.771 2.894 . 0 0 "[ . 1 . 2]" 2
805 1 47 CYS H 1 47 CYS HB3 3.038 . 4.192 2.986 2.627 3.341 . 0 0 "[ . 1 . 2]" 2
806 1 47 CYS H 1 47 CYS HB2 2.943 . 4.026 2.268 2.104 2.475 . 0 0 "[ . 1 . 2]" 2
807 1 47 CYS H 1 48 LEU H 2.671 . 3.562 2.570 2.398 2.645 . 0 0 "[ . 1 . 2]" 2
808 1 44 ALA H 1 45 ALA H 2.596 . 3.438 2.754 2.710 2.786 . 0 0 "[ . 1 . 2]" 2
809 1 45 ALA H 1 46 GLY H 2.087 . 2.632 2.191 2.126 2.235 . 0 0 "[ . 1 . 2]" 2
810 1 43 ILE MD 1 45 ALA H 3.038 . 6.500 5.305 5.087 5.552 . 0 0 "[ . 1 . 2]" 2
811 1 32 ASP H 1 34 ASP H 3.477 . 6.500 4.991 4.441 5.740 . 0 0 "[ . 1 . 2]" 2
812 1 31 GLY H 1 32 ASP H 1.911 . 2.368 2.080 1.977 2.355 . 0 0 "[ . 1 . 2]" 2
813 1 31 GLY HA2 1 32 ASP H 2.719 . 3.643 3.098 2.799 3.413 . 0 0 "[ . 1 . 2]" 2
814 1 31 GLY HA3 1 32 ASP H 2.710 . 3.628 3.395 3.121 3.542 . 0 0 "[ . 1 . 2]" 2
815 1 32 ASP H 1 32 ASP HB3 2.136 . 3.907 3.812 3.270 3.970 0.063 8 0 "[ . 1 . 2]" 2
816 1 19 THR H 1 21 VAL H 3.535 . 5.097 4.705 4.288 4.909 . 0 0 "[ . 1 . 2]" 2
817 1 17 PRO HA 1 19 THR H 2.814 . 3.804 3.733 3.414 3.889 0.085 6 0 "[ . 1 . 2]" 2
818 1 19 THR H 1 35 CYS HB3 2.955 . 6.500 6.064 5.557 6.669 0.169 8 0 "[ . 1 . 2]" 2
819 1 17 PRO HG2 1 44 ALA H 3.337 . 6.500 6.019 5.744 6.358 . 0 0 "[ . 1 . 2]" 2
820 1 65 ARG H 1 66 VAL H 3.017 . 4.155 2.532 2.242 2.834 . 0 0 "[ . 1 . 2]" 2
821 1 76 ARG H 1 76 ARG HB2 3.337 . 4.729 2.653 2.109 3.597 . 0 0 "[ . 1 . 2]" 2
822 1 49 TYR H 1 49 TYR QD 2.967 . 4.067 3.453 2.179 3.682 . 0 0 "[ . 1 . 2]" 2
823 1 48 LEU QB 1 49 TYR H 3.149 . 4.389 3.591 2.324 3.862 . 0 0 "[ . 1 . 2]" 2
824 1 63 GLU H 1 63 GLU HG3 2.871 . 3.901 2.521 2.005 3.005 . 0 0 "[ . 1 . 2]" 2
825 1 63 GLU H 1 66 VAL HB 2.422 . 6.500 4.904 4.398 5.313 . 0 0 "[ . 1 . 2]" 2
826 1 21 VAL H 1 21 VAL HB 3.045 . 4.204 2.641 2.495 3.144 . 0 0 "[ . 1 . 2]" 2
827 1 75 LEU H 1 75 LEU HA 2.818 . 3.811 2.877 2.792 2.938 . 0 0 "[ . 1 . 2]" 2
828 1 75 LEU H 1 75 LEU HB3 2.526 . 3.323 3.408 3.148 3.572 0.249 20 0 "[ . 1 . 2]" 2
829 1 72 LEU MD2 1 75 LEU H 3.074 . 6.500 5.582 5.174 6.200 . 0 0 "[ . 1 . 2]" 2
830 1 15 SER H 1 16 CYS H 2.853 . 6.500 4.486 4.398 4.599 . 0 0 "[ . 1 . 2]" 2
831 1 14 PHE QD 1 15 SER H 2.589 . 3.427 3.262 2.969 3.450 0.023 4 0 "[ . 1 . 2]" 2
832 1 15 SER H 1 15 SER HB2 2.333 . 3.013 2.509 2.092 3.259 0.246 10 0 "[ . 1 . 2]" 2
833 1 14 PHE HB3 1 15 SER H 2.985 . 6.500 4.393 4.275 4.470 . 0 0 "[ . 1 . 2]" 2
834 1 63 GLU H 1 64 LEU H 3.038 . 4.192 2.482 2.225 2.693 . 0 0 "[ . 1 . 2]" 2
835 1 64 LEU H 1 66 VAL HB 2.746 . 6.500 5.081 4.572 5.833 . 0 0 "[ . 1 . 2]" 2
836 1 14 PHE H 1 25 GLU H 2.973 . 4.078 3.930 3.434 4.206 0.128 9 0 "[ . 1 . 2]" 2
837 1 24 PRO HB2 1 25 GLU H 3.059 . 4.229 3.349 2.784 3.663 . 0 0 "[ . 1 . 2]" 2
838 1 48 LEU H 1 49 TYR H 3.410 . 4.863 2.671 2.534 3.527 . 0 0 "[ . 1 . 2]" 2
839 1 79 LEU H 1 80 LEU H 3.228 . 4.531 3.173 2.149 4.404 . 0 0 "[ . 1 . 2]" 2
840 1 34 ASP H 1 38 GLY H 3.250 . 6.500 5.201 4.708 5.540 . 0 0 "[ . 1 . 2]" 2
841 1 38 GLY H 1 40 ASP H 2.798 . 6.500 4.417 4.281 4.780 . 0 0 "[ . 1 . 2]" 2
842 1 37 ASP H 1 38 GLY H 2.297 . 2.957 2.606 2.529 2.674 . 0 0 "[ . 1 . 2]" 2
843 1 38 GLY H 1 41 GLU H 3.903 . 5.807 5.289 5.175 5.378 . 0 0 "[ . 1 . 2]" 2
844 1 35 CYS HB3 1 38 GLY H 2.482 . 3.502 3.517 2.829 3.715 0.213 5 0 "[ . 1 . 2]" 2
845 1 35 CYS HB2 1 38 GLY H 2.938 . 4.017 3.210 2.926 4.066 0.049 3 0 "[ . 1 . 2]" 2
846 1 33 LYS HB3 1 38 GLY H 2.575 . 4.004 2.591 2.447 2.780 . 0 0 "[ . 1 . 2]" 2
847 1 44 ALA H 1 46 GLY H 3.031 . 4.179 3.998 3.940 4.041 . 0 0 "[ . 1 . 2]" 2
848 1 46 GLY H 1 46 GLY HA2 2.396 . 3.114 2.422 2.401 2.430 . 0 0 "[ . 1 . 2]" 2
849 1 44 ALA MB 1 46 GLY H 2.881 . 6.500 4.465 4.426 4.498 . 0 0 "[ . 1 . 2]" 2
850 1 66 VAL H 1 67 ARG H 3.285 . 4.634 2.528 2.320 2.902 . 0 0 "[ . 1 . 2]" 2
851 1 30 ASP H 1 30 ASP HB2 3.024 . 4.167 3.488 3.195 3.635 . 0 0 "[ . 1 . 2]" 2
852 1 23 VAL H 1 23 VAL MG1 2.943 . 4.026 1.995 1.863 2.199 . 0 0 "[ . 1 . 2]" 2
853 1 34 ASP H 1 41 GLU HG2 2.943 . 4.026 3.527 2.847 4.253 0.227 8 0 "[ . 1 . 2]" 2
854 1 34 ASP H 1 34 ASP HB2 2.610 . 3.462 2.467 2.070 3.690 0.228 8 0 "[ . 1 . 2]" 2
855 1 33 LYS HB3 1 34 ASP H 2.726 . 4.355 3.836 3.166 4.142 . 0 0 "[ . 1 . 2]" 2
856 1 27 TRP HE1 1 74 LYS HG3 2.943 . 4.026 3.910 2.633 4.289 0.263 6 0 "[ . 1 . 2]" 2
857 1 24 PRO HB2 1 27 TRP HE1 3.031 . 4.179 3.783 3.340 4.406 0.227 4 0 "[ . 1 . 2]" 2
858 1 28 LEU HB3 1 29 CYS H 2.906 . 3.961 2.505 2.127 2.753 . 0 0 "[ . 1 . 2]" 2
859 1 40 ASP H 1 40 ASP HB3 2.775 . 3.737 2.544 2.183 3.292 . 0 0 "[ . 1 . 2]" 2
860 1 43 ILE MG 1 44 ALA H 3.228 . 4.531 2.360 2.277 2.416 . 0 0 "[ . 1 . 2]" 2
861 1 65 ARG H 1 66 VAL MG2 3.106 . 4.312 4.014 3.612 4.302 . 0 0 "[ . 1 . 2]" 2
862 1 43 ILE MD 1 49 TYR H 3.262 . 4.592 2.092 1.873 3.129 0.059 2 0 "[ . 1 . 2]" 2
863 1 64 LEU H 1 64 LEU MD2 2.818 . 3.811 3.754 3.565 3.883 0.072 9 0 "[ . 1 . 2]" 2
864 1 43 ILE MD 1 48 LEU H 2.876 . 3.910 2.020 1.815 2.216 0.027 1 0 "[ . 1 . 2]" 2
865 1 33 LYS HG2 1 38 GLY H 3.273 . 4.912 4.107 4.035 4.180 . 0 0 "[ . 1 . 2]" 2
866 1 66 VAL MG1 1 67 ARG H 2.998 . 4.121 3.694 2.842 4.070 . 0 0 "[ . 1 . 2]" 2
867 1 27 TRP H 1 27 TRP HE3 3.864 . 5.730 5.428 5.208 5.586 . 0 0 "[ . 1 . 2]" 2
868 1 16 CYS H 1 21 VAL H 3.577 . 5.177 5.026 4.139 5.358 0.181 9 0 "[ . 1 . 2]" 2
869 1 21 VAL H 1 22 CYS H 3.496 . 5.024 4.602 4.471 4.638 . 0 0 "[ . 1 . 2]" 2
870 1 34 ASP H 1 39 ALA H 3.114 . 6.500 5.815 5.199 6.175 . 0 0 "[ . 1 . 2]" 2
871 1 22 CYS H 1 23 VAL H 3.761 . 5.529 4.281 4.149 4.431 . 0 0 "[ . 1 . 2]" 2
872 1 43 ILE H 1 47 CYS H 3.577 . 5.177 4.635 4.444 4.752 . 0 0 "[ . 1 . 2]" 2
873 1 27 TRP HE1 1 73 ARG QB 3.074 . 4.256 2.328 1.854 2.787 0.038 14 0 "[ . 1 . 2]" 2
874 1 16 CYS H 1 23 VAL MG1 3.535 . 5.097 3.138 2.768 4.105 . 0 0 "[ . 1 . 2]" 2
875 1 34 ASP H 1 42 SER H 4.041 . 6.590 6.588 6.131 6.744 0.154 8 0 "[ . 1 . 2]" 2
876 1 42 SER H 1 46 GLY H 4.095 . 6.191 5.912 5.503 6.229 0.038 9 0 "[ . 1 . 2]" 2
877 1 43 ILE HG12 1 47 CYS H 3.090 . 5.284 5.445 5.336 5.505 0.221 19 0 "[ . 1 . 2]" 2
878 1 35 CYS H 1 41 GLU H 3.600 . 5.220 4.436 4.229 4.706 . 0 0 "[ . 1 . 2]" 2
879 1 27 TRP H 1 30 ASP H 3.991 . 5.982 5.588 5.299 5.801 . 0 0 "[ . 1 . 2]" 2
880 1 27 TRP H 1 29 CYS H 3.903 . 5.807 5.142 4.801 5.329 . 0 0 "[ . 1 . 2]" 2
881 1 27 TRP H 1 28 LEU MD2 3.577 . 5.177 4.937 4.767 5.221 0.044 5 0 "[ . 1 . 2]" 2
882 1 29 CYS H 1 32 ASP H 3.556 . 6.500 6.483 6.141 6.654 0.154 1 0 "[ . 1 . 2]" 2
883 1 43 ILE H 1 45 ALA H 3.793 . 5.591 4.328 4.202 4.410 . 0 0 "[ . 1 . 2]" 2
884 1 17 PRO HG2 1 45 ALA H 3.515 . 6.500 5.741 5.451 6.243 . 0 0 "[ . 1 . 2]" 2
885 1 73 ARG H 1 73 ARG HG3 2.729 . 3.660 3.693 3.471 4.428 0.768 17 3 "[ - 1 . + *]" 2
886 1 70 SER HA 1 74 LYS H 2.938 . 4.017 2.787 2.255 3.545 . 0 0 "[ . 1 . 2]" 2
887 1 29 CYS H 1 40 ASP HB2 3.991 . 6.832 5.835 5.070 7.747 0.915 2 3 "[ + * -1 . 2]" 2
888 1 14 PHE QD 1 23 VAL H 3.945 . 5.891 4.185 3.800 4.564 . 0 0 "[ . 1 . 2]" 2
889 1 42 SER HB3 1 43 ILE H 3.623 . 5.264 2.462 2.154 2.859 . 0 0 "[ . 1 . 2]" 2
890 1 30 ASP H 1 31 GLY HA3 2.835 . 6.500 5.161 5.018 5.281 . 0 0 "[ . 1 . 2]" 2
891 1 30 ASP H 1 34 ASP H 3.761 . 6.500 6.114 5.655 6.540 0.040 14 0 "[ . 1 . 2]" 2
892 1 5 GLU H 1 5 GLU HB3 2.991 . 4.109 3.357 2.948 4.170 0.061 19 0 "[ . 1 . 2]" 2
893 1 14 PHE QE 1 15 SER H 3.285 . 4.634 4.532 4.246 4.815 0.181 9 0 "[ . 1 . 2]" 2
894 1 9 CYS HA 1 15 SER H 2.539 . 6.500 6.124 5.622 6.607 0.107 3 0 "[ . 1 . 2]" 2
895 1 79 LEU H 1 79 LEU QB 3.059 . 4.229 2.756 2.283 3.363 . 0 0 "[ . 1 . 2]" 2
896 1 28 LEU MD1 1 40 ASP H 3.991 . 5.982 4.547 4.307 4.800 . 0 0 "[ . 1 . 2]" 2
897 1 49 TYR H 1 49 TYR HB3 2.998 . 4.121 3.526 2.829 3.652 . 0 0 "[ . 1 . 2]" 2
898 1 50 ASN HB3 1 50 ASN HD22 2.979 . 4.088 3.834 3.438 4.094 0.006 8 0 "[ . 1 . 2]" 2
899 1 50 ASN HB3 1 50 ASN HD21 2.922 . 3.989 2.999 2.122 3.547 . 0 0 "[ . 1 . 2]" 2
900 1 43 ILE MG 1 50 ASN HD22 3.761 . 5.529 5.200 3.994 5.817 0.288 9 0 "[ . 1 . 2]" 2
901 1 43 ILE MG 1 50 ASN HD21 4.296 . 6.603 4.669 2.732 5.763 . 0 0 "[ . 1 . 2]" 2
902 1 30 ASP H 1 41 GLU QG 3.866 . 5.735 4.362 3.737 5.398 . 0 0 "[ . 1 . 2]" 2
903 1 29 CYS HA 1 30 ASP H 2.399 . 3.118 2.791 2.680 2.957 . 0 0 "[ . 1 . 2]" 2
904 1 30 ASP H 1 30 ASP HA 2.456 . 3.210 2.853 2.803 2.897 . 0 0 "[ . 1 . 2]" 2
905 1 30 ASP H 1 31 GLY QA 2.483 . 6.500 4.463 4.311 4.581 . 0 0 "[ . 1 . 2]" 2
906 1 30 ASP H 1 30 ASP QB 2.436 . 3.178 2.317 2.036 2.620 . 0 0 "[ . 1 . 2]" 2
907 1 29 CYS QB 1 30 ASP H 2.580 . 6.500 3.877 3.797 3.909 . 0 0 "[ . 1 . 2]" 2
908 1 30 ASP H 1 66 VAL MG2 3.508 . 5.046 4.100 3.404 4.725 . 0 0 "[ . 1 . 2]" 2
909 1 23 VAL H 1 23 VAL HB 3.986 . 5.972 2.960 2.645 3.268 . 0 0 "[ . 1 . 2]" 2
910 1 15 SER HA 1 23 VAL H 3.566 . 5.155 2.928 2.630 3.255 . 0 0 "[ . 1 . 2]" 2
911 1 22 CYS HA 1 23 VAL H 2.925 . 3.994 2.142 2.117 2.195 . 0 0 "[ . 1 . 2]" 2
912 1 34 ASP H 1 38 GLY QA 3.266 . 4.600 3.681 3.149 4.054 . 0 0 "[ . 1 . 2]" 2
913 1 23 VAL MG2 1 34 ASP H 3.399 . 4.843 4.123 3.902 4.463 . 0 0 "[ . 1 . 2]" 2
914 1 2 SER QB 1 34 ASP H 3.953 . 5.907 5.113 4.406 5.901 . 0 0 "[ . 1 . 2]" 2
915 1 33 LYS HA 1 34 ASP H 2.269 . 2.912 2.200 2.114 2.312 . 0 0 "[ . 1 . 2]" 2
916 1 34 ASP H 1 34 ASP QB 2.560 . 3.379 2.282 2.050 2.641 . 0 0 "[ . 1 . 2]" 2
917 1 34 ASP H 1 40 ASP QB 4.020 . 6.040 3.422 2.258 4.149 . 0 0 "[ . 1 . 2]" 2
918 1 34 ASP H 1 41 GLU QG 3.177 . 4.438 3.297 2.750 3.925 . 0 0 "[ . 1 . 2]" 2
919 1 33 LYS QB 1 34 ASP H 2.776 . 3.740 3.615 3.074 3.827 0.087 4 0 "[ . 1 . 2]" 2
920 1 33 LYS QD 1 34 ASP H 3.433 . 6.500 5.697 5.509 5.905 . 0 0 "[ . 1 . 2]" 2
921 1 34 ASP H 1 35 CYS QB 3.292 . 4.647 4.293 3.759 4.672 0.025 4 0 "[ . 1 . 2]" 2
922 1 33 LYS QG 1 34 ASP H 3.043 . 4.300 4.285 4.003 4.405 0.105 11 0 "[ . 1 . 2]" 2
923 1 27 TRP HA 1 27 TRP HE1 3.102 . 6.500 4.917 4.704 5.056 . 0 0 "[ . 1 . 2]" 2
924 1 27 TRP HE1 1 74 LYS QB 3.482 . 4.997 3.411 2.016 4.082 . 0 0 "[ . 1 . 2]" 2
925 1 27 TRP HE1 1 74 LYS QD 2.961 . 4.057 2.206 1.823 4.018 0.042 17 0 "[ . 1 . 2]" 2
926 1 24 PRO QG 1 27 TRP HE1 2.991 . 4.109 3.216 2.834 3.741 . 0 0 "[ . 1 . 2]" 2
927 1 27 TRP HE1 1 74 LYS QG 2.818 . 3.811 3.038 1.957 3.880 0.069 9 0 "[ . 1 . 2]" 2
928 1 29 CYS QB 1 31 GLY H 3.469 . 4.973 4.352 4.050 4.557 . 0 0 "[ . 1 . 2]" 2
929 1 30 ASP HA 1 31 GLY H 2.961 . 4.057 3.432 3.349 3.479 . 0 0 "[ . 1 . 2]" 2
930 1 31 GLY H 1 31 GLY QA 2.182 . 2.777 2.333 2.285 2.342 . 0 0 "[ . 1 . 2]" 2
931 1 29 CYS H 1 29 CYS HA 2.342 . 3.028 2.941 2.910 2.950 . 0 0 "[ . 1 . 2]" 2
932 1 29 CYS H 1 30 ASP QB 3.581 . 5.184 4.343 4.109 4.558 . 0 0 "[ . 1 . 2]" 2
933 1 28 LEU QB 1 29 CYS H 2.640 . 3.511 2.225 2.022 2.353 . 0 0 "[ . 1 . 2]" 2
934 1 29 CYS H 1 29 CYS QB 2.436 . 3.178 2.685 2.325 2.856 . 0 0 "[ . 1 . 2]" 2
935 1 28 LEU MD2 1 29 CYS H 2.937 . 4.115 4.151 4.029 4.267 0.152 10 0 "[ . 1 . 2]" 2
936 1 29 CYS H 1 66 VAL MG2 2.544 . 3.353 2.299 1.998 2.789 . 0 0 "[ . 1 . 2]" 2
937 1 29 CYS H 1 45 ALA MB 3.069 . 6.500 5.626 5.393 5.732 . 0 0 "[ . 1 . 2]" 2
938 1 27 TRP QB 1 29 CYS H 3.953 . 5.907 5.582 5.197 5.890 . 0 0 "[ . 1 . 2]" 2
939 1 42 SER QB 1 43 ILE H 3.069 . 4.246 2.420 2.125 2.750 . 0 0 "[ . 1 . 2]" 2
940 1 42 SER HA 1 43 ILE H 3.157 . 4.403 2.393 2.248 2.545 . 0 0 "[ . 1 . 2]" 2
941 1 43 ILE H 1 43 ILE HB 3.063 . 4.236 2.436 2.322 2.593 . 0 0 "[ . 1 . 2]" 2
942 1 43 ILE H 1 43 ILE QG 2.906 . 3.962 4.039 4.023 4.054 0.092 5 0 "[ . 1 . 2]" 2
943 1 43 ILE H 1 43 ILE MG 2.842 . 3.852 2.187 1.987 2.393 . 0 0 "[ . 1 . 2]" 2
944 1 43 ILE H 1 43 ILE MD 3.894 . 5.789 3.970 3.806 4.176 . 0 0 "[ . 1 . 2]" 2
945 1 17 PRO QD 1 39 ALA H 3.058 . 4.227 4.106 3.810 4.260 0.033 10 0 "[ . 1 . 2]" 2
946 1 17 PRO QG 1 39 ALA H 3.433 . 4.906 4.849 4.542 4.994 0.088 17 0 "[ . 1 . 2]" 2
947 1 39 ALA H 1 42 SER QB 3.388 . 4.823 4.572 4.356 4.906 0.083 18 0 "[ . 1 . 2]" 2
948 1 14 PHE QE 1 39 ALA H 3.522 . 5.073 4.953 4.731 5.123 0.050 15 0 "[ . 1 . 2]" 2
949 1 39 ALA H 1 39 ALA HA 2.332 . 3.012 2.784 2.770 2.816 . 0 0 "[ . 1 . 2]" 2
950 1 39 ALA H 1 40 ASP HA 4.643 . 7.338 5.295 5.219 5.328 . 0 0 "[ . 1 . 2]" 2
951 1 38 GLY QA 1 39 ALA H 2.531 . 3.332 2.841 2.745 2.877 . 0 0 "[ . 1 . 2]" 2
952 1 33 LYS QE 1 39 ALA H 3.791 . 5.588 4.842 4.454 6.056 0.468 7 0 "[ . 1 . 2]" 2
953 1 37 ASP QB 1 39 ALA H 3.079 . 4.264 3.576 3.422 3.748 . 0 0 "[ . 1 . 2]" 2
954 1 35 CYS QB 1 39 ALA H 2.380 . 3.088 2.061 1.942 2.224 . 0 0 "[ . 1 . 2]" 2
955 1 17 PRO QB 1 39 ALA H 3.866 . 5.735 5.366 4.952 5.707 . 0 0 "[ . 1 . 2]" 2
956 1 33 LYS QD 1 39 ALA H 3.597 . 5.214 5.179 4.852 5.330 0.116 2 0 "[ . 1 . 2]" 2
957 1 33 LYS QG 1 39 ALA H 4.871 . 7.837 4.917 4.744 5.004 . 0 0 "[ . 1 . 2]" 2
958 1 39 ALA H 1 39 ALA MB 1.950 . 2.425 2.147 2.088 2.227 . 0 0 "[ . 1 . 2]" 2
959 1 61 THR HB 1 62 GLU H 3.522 . 5.073 2.846 2.581 3.032 . 0 0 "[ . 1 . 2]" 2
960 1 61 THR HA 1 62 GLU H 3.597 . 5.214 3.497 3.472 3.536 . 0 0 "[ . 1 . 2]" 2
961 1 62 GLU H 1 62 GLU QB 2.885 . 3.925 2.209 2.073 2.280 . 0 0 "[ . 1 . 2]" 2
962 1 6 GLY H 1 6 GLY QA 4.282 . 6.574 2.315 2.196 2.494 . 0 0 "[ . 1 . 2]" 2
963 1 21 VAL HA 1 22 CYS H 3.150 . 4.391 2.299 2.235 2.371 . 0 0 "[ . 1 . 2]" 2
964 1 22 CYS H 1 22 CYS QB 3.725 . 5.460 3.025 2.347 3.191 . 0 0 "[ . 1 . 2]" 2
965 1 21 VAL MG2 1 22 CYS H 2.641 . 3.513 1.973 1.837 2.159 . 0 0 "[ . 1 . 2]" 2
966 1 21 VAL HB 1 22 CYS H 4.020 . 6.040 3.886 3.785 4.008 . 0 0 "[ . 1 . 2]" 2
967 1 15 SER QB 1 16 CYS H 2.986 . 4.101 3.703 3.441 3.876 . 0 0 "[ . 1 . 2]" 2
968 1 16 CYS H 1 22 CYS HA 3.378 . 4.804 1.972 1.873 2.111 0.079 13 0 "[ . 1 . 2]" 2
969 1 16 CYS H 1 17 PRO QD 3.746 . 5.500 4.070 3.955 4.248 . 0 0 "[ . 1 . 2]" 2
970 1 15 SER HA 1 16 CYS H 2.933 . 4.008 2.150 2.120 2.201 . 0 0 "[ . 1 . 2]" 2
971 1 16 CYS H 1 22 CYS QB 4.340 . 6.694 3.747 3.502 4.345 . 0 0 "[ . 1 . 2]" 2
972 1 16 CYS H 1 16 CYS QB 3.227 . 4.529 2.164 2.038 2.274 . 0 0 "[ . 1 . 2]" 2
973 1 16 CYS H 1 21 VAL HB 4.643 . 7.338 5.805 5.716 5.935 . 0 0 "[ . 1 . 2]" 2
974 1 14 PHE H 1 15 SER QB 4.181 . 6.366 5.556 5.270 5.892 . 0 0 "[ . 1 . 2]" 2
975 1 14 PHE H 1 24 PRO HA 3.242 . 4.556 2.903 2.563 3.278 . 0 0 "[ . 1 . 2]" 2
976 1 13 SER HA 1 14 PHE H 2.807 . 3.792 2.366 2.170 2.533 . 0 0 "[ . 1 . 2]" 2
977 1 14 PHE H 1 23 VAL MG1 3.079 . 4.264 3.280 3.112 3.388 . 0 0 "[ . 1 . 2]" 2
978 1 13 SER QB 1 14 PHE H 2.713 . 3.633 2.539 2.130 3.141 . 0 0 "[ . 1 . 2]" 2
979 1 14 PHE H 1 25 GLU QB 4.137 . 6.276 4.875 4.314 5.256 . 0 0 "[ . 1 . 2]" 2
980 1 33 LYS QB 1 35 CYS H 2.948 . 4.035 3.788 3.384 4.001 . 0 0 "[ . 1 . 2]" 2
981 1 33 LYS QG 1 35 CYS H 3.444 . 4.927 4.987 4.697 5.134 0.207 10 0 "[ . 1 . 2]" 2
982 1 35 CYS H 1 36 ALA MB 3.815 . 5.674 5.834 5.763 5.883 0.209 7 0 "[ . 1 . 2]" 2
983 1 35 CYS H 1 35 CYS HA 2.675 . 3.569 2.844 2.795 2.921 . 0 0 "[ . 1 . 2]" 2
984 1 35 CYS H 1 38 GLY QA 2.885 . 3.925 3.274 2.818 3.653 . 0 0 "[ . 1 . 2]" 2
985 1 34 ASP QB 1 35 CYS H 2.665 . 3.552 2.837 2.455 3.458 . 0 0 "[ . 1 . 2]" 2
986 1 35 CYS H 1 40 ASP QB 3.522 . 5.073 2.988 2.286 4.328 . 0 0 "[ . 1 . 2]" 2
987 1 35 CYS H 1 35 CYS QB 2.333 . 3.013 2.225 2.085 2.314 . 0 0 "[ . 1 . 2]" 2
988 1 35 CYS H 1 41 GLU QG 3.551 . 5.127 4.594 4.151 5.244 0.117 9 0 "[ . 1 . 2]" 2
989 1 33 LYS QD 1 35 CYS H 3.508 . 6.500 5.844 5.382 6.159 . 0 0 "[ . 1 . 2]" 2
990 1 23 VAL MG2 1 35 CYS H 3.191 . 4.463 3.939 3.537 4.286 . 0 0 "[ . 1 . 2]" 2
991 1 35 CYS H 1 39 ALA MB 3.113 . 6.500 4.580 4.455 4.784 . 0 0 "[ . 1 . 2]" 2
992 1 25 GLU HA 1 27 TRP H 3.508 . 5.046 3.900 3.696 4.208 . 0 0 "[ . 1 . 2]" 2
993 1 26 ARG HA 1 27 TRP H 3.212 . 4.502 3.452 3.415 3.496 . 0 0 "[ . 1 . 2]" 2
994 1 27 TRP H 1 27 TRP HA 2.795 . 3.772 2.893 2.833 2.922 . 0 0 "[ . 1 . 2]" 2
995 1 27 TRP H 1 28 LEU QB 3.212 . 4.502 4.190 3.987 4.351 . 0 0 "[ . 1 . 2]" 2
996 1 24 PRO QB 1 27 TRP H 3.191 . 4.463 2.521 1.998 2.951 . 0 0 "[ . 1 . 2]" 2
997 1 27 TRP H 1 27 TRP QB 2.557 . 3.374 2.423 2.285 2.526 . 0 0 "[ . 1 . 2]" 2
998 1 23 VAL MG1 1 27 TRP H 3.986 . 5.972 5.294 4.629 5.623 . 0 0 "[ . 1 . 2]" 2
999 1 25 GLU HA 1 26 ARG H 3.581 . 5.184 3.521 3.489 3.572 . 0 0 "[ . 1 . 2]" 2
1000 1 24 PRO QB 1 26 ARG H 3.132 . 4.358 2.730 2.302 3.041 . 0 0 "[ . 1 . 2]" 2
1001 1 26 ARG H 1 26 ARG QG 2.858 . 3.879 3.799 2.803 4.042 0.163 15 0 "[ . 1 . 2]" 2
1002 1 26 ARG H 1 26 ARG HA 2.649 . 3.526 2.829 2.778 2.857 . 0 0 "[ . 1 . 2]" 2
1003 1 26 ARG H 1 26 ARG QD 3.132 . 4.358 4.397 4.081 4.564 0.206 17 0 "[ . 1 . 2]" 2
1004 1 36 ALA HA 1 37 ASP H 2.776 . 3.740 3.525 3.491 3.557 . 0 0 "[ . 1 . 2]" 2
1005 1 37 ASP H 1 37 ASP HA 2.437 . 3.179 2.946 2.943 2.948 . 0 0 "[ . 1 . 2]" 2
1006 1 37 ASP H 1 38 GLY QA 2.885 . 6.500 4.229 4.161 4.297 . 0 0 "[ . 1 . 2]" 2
1007 1 37 ASP H 1 37 ASP QB 2.410 . 3.136 2.509 2.380 2.696 . 0 0 "[ . 1 . 2]" 2
1008 1 35 CYS QB 1 37 ASP H 2.784 . 3.753 2.565 2.316 2.807 . 0 0 "[ . 1 . 2]" 2
1009 1 19 THR MG 1 37 ASP H 3.566 . 5.155 5.209 5.028 5.319 0.164 14 0 "[ . 1 . 2]" 2
1010 1 37 ASP H 1 39 ALA MB 3.198 . 4.476 3.514 3.389 3.617 . 0 0 "[ . 1 . 2]" 2
1011 1 36 ALA MB 1 37 ASP H 2.338 . 3.021 2.651 2.493 2.776 . 0 0 "[ . 1 . 2]" 2
1012 1 33 LYS QD 1 37 ASP H 3.840 . 5.683 5.537 5.190 5.868 0.185 3 0 "[ . 1 . 2]" 2
1013 1 25 GLU HA 1 28 LEU H 2.727 . 3.656 3.520 3.076 3.847 0.191 6 0 "[ . 1 . 2]" 2
1014 1 26 ARG HA 1 28 LEU H 3.102 . 4.305 3.696 3.458 4.126 . 0 0 "[ . 1 . 2]" 2
1015 1 28 LEU H 1 28 LEU HA 2.917 . 3.981 2.818 2.688 2.896 . 0 0 "[ . 1 . 2]" 2
1016 1 27 TRP HA 1 28 LEU H 2.858 . 3.879 3.272 3.047 3.484 . 0 0 "[ . 1 . 2]" 2
1017 1 28 LEU H 1 28 LEU QB 2.313 . 2.982 2.119 2.040 2.214 . 0 0 "[ . 1 . 2]" 2
1018 1 25 GLU QG 1 28 LEU H 3.685 . 5.383 4.716 4.488 4.972 . 0 0 "[ . 1 . 2]" 2
1019 1 27 TRP QB 1 28 LEU H 3.058 . 4.227 3.349 2.831 3.719 . 0 0 "[ . 1 . 2]" 2
1020 1 28 LEU H 1 28 LEU MD2 2.428 . 6.500 3.656 3.473 3.795 . 0 0 "[ . 1 . 2]" 2
1021 1 28 LEU H 1 28 LEU MD1 2.534 . 3.336 2.461 2.209 2.749 . 0 0 "[ . 1 . 2]" 2
1022 1 28 LEU H 1 45 ALA MB 3.482 . 5.197 5.299 5.062 5.436 0.239 6 0 "[ . 1 . 2]" 2
1023 1 79 LEU HA 1 80 LEU H 1.974 . 6.500 3.460 2.340 3.572 . 0 0 "[ . 1 . 2]" 2
1024 1 80 LEU H 1 80 LEU QB 1.925 . 2.488 2.544 2.044 2.774 0.286 4 0 "[ . 1 . 2]" 2
1025 1 77 LYS QB 1 80 LEU H 3.746 . 5.500 4.638 3.027 5.725 0.225 6 0 "[ . 1 . 2]" 2
1026 1 78 ARG QB 1 80 LEU H 2.878 . 6.500 4.661 3.114 6.672 0.172 7 0 "[ . 1 . 2]" 2
1027 1 80 LEU H 1 80 LEU MD1 2.467 . 3.227 2.962 1.881 3.584 0.357 3 0 "[ . 1 . 2]" 2
1028 1 50 ASN HA 1 50 ASN HD21 3.866 . 5.735 3.006 1.953 4.511 0.044 17 0 "[ . 1 . 2]" 2
1029 1 50 ASN QB 1 50 ASN HD21 2.584 . 3.419 2.421 2.092 2.729 . 0 0 "[ . 1 . 2]" 2
1030 1 50 ASN QB 1 50 ASN HD22 2.591 . 3.430 3.337 3.210 3.459 0.029 4 0 "[ . 1 . 2]" 2
1031 1 13 SER H 1 13 SER QB 2.189 . 2.788 2.766 2.572 2.956 0.168 2 0 "[ . 1 . 2]" 2
1032 1 11 PRO HA 1 13 SER H 3.132 . 6.500 4.801 4.285 5.704 . 0 0 "[ . 1 . 2]" 2
1033 1 11 PRO QD 1 13 SER H 3.953 . 5.907 5.205 4.272 5.811 . 0 0 "[ . 1 . 2]" 2
1034 1 10 GLY QA 1 13 SER H 3.894 . 5.789 5.171 4.383 5.819 0.030 1 0 "[ . 1 . 2]" 2
1035 1 9 CYS QB 1 13 SER H 3.378 . 6.500 6.109 5.492 6.559 0.059 2 0 "[ . 1 . 2]" 2
1036 1 13 SER H 1 25 GLU QG 3.631 . 5.279 4.731 4.264 5.216 . 0 0 "[ . 1 . 2]" 2
1037 1 13 SER H 1 25 GLU QB 3.551 . 5.127 3.866 3.599 4.222 . 0 0 "[ . 1 . 2]" 2
1038 1 39 ALA HA 1 41 GLU H 3.014 . 4.249 4.207 3.925 4.340 0.091 7 0 "[ . 1 . 2]" 2
1039 1 38 GLY QA 1 41 GLU H 3.198 . 4.476 3.115 2.998 3.222 . 0 0 "[ . 1 . 2]" 2
1040 1 33 LYS QE 1 41 GLU H 4.056 . 6.113 4.853 4.563 6.116 0.003 7 0 "[ . 1 . 2]" 2
1041 1 40 ASP QB 1 41 GLU H 3.157 . 4.403 3.189 2.549 3.418 . 0 0 "[ . 1 . 2]" 2
1042 1 41 GLU H 1 47 CYS QB 3.666 . 5.346 5.150 4.837 5.409 0.063 5 0 "[ . 1 . 2]" 2
1043 1 33 LYS QG 1 41 GLU H 3.522 . 5.073 3.807 3.250 4.013 . 0 0 "[ . 1 . 2]" 2
1044 1 41 GLU H 1 42 SER QB 2.842 . 6.500 4.373 3.970 4.729 . 0 0 "[ . 1 . 2]" 2
1045 1 35 CYS QB 1 41 GLU H 3.457 . 4.950 4.179 3.962 4.319 . 0 0 "[ . 1 . 2]" 2
1046 1 41 GLU H 1 41 GLU QG 2.573 . 3.401 2.440 1.976 3.292 . 0 0 "[ . 1 . 2]" 2
1047 1 41 GLU H 1 41 GLU QB 2.349 . 3.039 2.543 2.411 2.955 . 0 0 "[ . 1 . 2]" 2
1048 1 42 SER H 1 42 SER QB 2.299 . 2.960 2.412 2.104 2.701 . 0 0 "[ . 1 . 2]" 2
1049 1 42 SER H 1 42 SER HA 2.572 . 3.399 2.858 2.811 2.933 . 0 0 "[ . 1 . 2]" 2
1050 1 39 ALA HA 1 42 SER H 2.892 . 3.938 3.085 2.956 3.218 . 0 0 "[ . 1 . 2]" 2
1051 1 38 GLY QA 1 42 SER H 3.666 . 5.346 4.092 3.844 4.397 . 0 0 "[ . 1 . 2]" 2
1052 1 35 CYS QB 1 42 SER H 3.614 . 5.246 5.246 5.119 5.342 0.096 13 0 "[ . 1 . 2]" 2
1053 1 41 GLU QG 1 42 SER H 3.108 . 4.315 4.137 3.470 4.518 0.203 14 0 "[ . 1 . 2]" 2
1054 1 42 SER H 1 47 CYS QB 3.235 . 4.543 4.183 3.763 4.510 . 0 0 "[ . 1 . 2]" 2
1055 1 41 GLU QB 1 42 SER H 2.743 . 3.684 3.063 2.813 3.577 . 0 0 "[ . 1 . 2]" 2
1056 1 28 LEU HG 1 42 SER H 3.705 . 5.421 5.284 4.624 5.487 0.066 14 0 "[ . 1 . 2]" 2
1057 1 42 SER H 1 44 ALA MB 3.338 . 4.730 4.739 4.520 4.878 0.148 10 0 "[ . 1 . 2]" 2
1058 1 42 SER H 1 43 ILE MG 3.923 . 5.846 5.912 5.823 5.962 0.116 17 0 "[ . 1 . 2]" 2
1059 1 46 GLY QA 1 47 CYS H 2.276 . 2.923 2.742 2.677 2.762 . 0 0 "[ . 1 . 2]" 2
1060 1 43 ILE HB 1 47 CYS H 3.347 . 4.747 4.619 4.440 4.722 . 0 0 "[ . 1 . 2]" 2
1061 1 47 CYS H 1 47 CYS QB 2.138 . 2.709 2.175 2.080 2.280 . 0 0 "[ . 1 . 2]" 2
1062 1 43 ILE QG 1 47 CYS H 3.283 . 4.630 3.896 3.762 4.075 . 0 0 "[ . 1 . 2]" 2
1063 1 28 LEU HG 1 47 CYS H 3.184 . 4.601 4.591 4.131 4.835 0.234 16 0 "[ . 1 . 2]" 2
1064 1 47 CYS H 1 48 LEU MD1 3.085 . 4.275 3.917 3.538 4.171 . 0 0 "[ . 1 . 2]" 2
1065 1 45 ALA MB 1 47 CYS H 2.421 . 3.354 3.470 3.395 3.585 0.231 20 0 "[ . 1 . 2]" 2
1066 1 44 ALA MB 1 47 CYS H 3.212 . 6.500 5.685 5.549 5.834 . 0 0 "[ . 1 . 2]" 2
1067 1 43 ILE MG 1 47 CYS H 3.009 . 6.500 4.929 4.839 5.005 . 0 0 "[ . 1 . 2]" 2
1068 1 43 ILE MD 1 47 CYS H 2.953 . 4.043 3.346 3.006 3.605 . 0 0 "[ . 1 . 2]" 2
1069 1 43 ILE HA 1 47 CYS H 2.265 . 2.906 2.205 2.079 2.293 . 0 0 "[ . 1 . 2]" 2
1070 1 47 CYS H 1 47 CYS HA 2.517 . 3.309 2.876 2.856 2.893 . 0 0 "[ . 1 . 2]" 2
1071 1 42 SER QB 1 45 ALA H 3.614 . 5.246 3.555 3.407 3.730 . 0 0 "[ . 1 . 2]" 2
1072 1 44 ALA HA 1 45 ALA H 2.614 . 3.468 3.469 3.464 3.475 0.007 7 0 "[ . 1 . 2]" 2
1073 1 45 ALA H 1 45 ALA HA 2.350 . 3.040 2.919 2.908 2.932 . 0 0 "[ . 1 . 2]" 2
1074 1 45 ALA H 1 46 GLY QA 2.640 . 6.500 4.202 4.158 4.239 . 0 0 "[ . 1 . 2]" 2
1075 1 45 ALA H 1 47 CYS QB 3.522 . 5.073 4.262 4.115 4.423 . 0 0 "[ . 1 . 2]" 2
1076 1 28 LEU MD1 1 45 ALA H 3.648 . 5.312 5.238 4.742 5.453 0.141 18 0 "[ . 1 . 2]" 2
1077 1 45 ALA H 1 45 ALA MB 1.989 . 2.484 2.312 2.292 2.340 . 0 0 "[ . 1 . 2]" 2
1078 1 44 ALA MB 1 45 ALA H 2.202 . 2.808 2.850 2.740 2.887 0.079 12 0 "[ . 1 . 2]" 2
1079 1 43 ILE HA 1 45 ALA H 2.732 . 3.665 3.573 3.550 3.614 . 0 0 "[ . 1 . 2]" 2
1080 1 43 ILE HB 1 45 ALA H 3.666 . 5.346 5.502 5.480 5.522 0.176 10 0 "[ . 1 . 2]" 2
1081 1 43 ILE QG 1 45 ALA H 3.953 . 5.907 4.679 4.630 4.735 . 0 0 "[ . 1 . 2]" 2
1082 1 28 LEU MD2 1 45 ALA H 3.319 . 4.696 4.665 4.466 4.836 0.140 1 0 "[ . 1 . 2]" 2
1083 1 29 CYS QB 1 32 ASP H 3.923 . 6.146 6.032 5.742 6.299 0.153 1 0 "[ . 1 . 2]" 2
1084 1 32 ASP H 1 33 LYS HA 4.056 . 6.113 4.571 4.330 4.880 . 0 0 "[ . 1 . 2]" 2
1085 1 32 ASP H 1 32 ASP HA 2.430 . 3.168 2.870 2.787 2.945 . 0 0 "[ . 1 . 2]" 2
1086 1 31 GLY QA 1 32 ASP H 2.224 . 2.842 2.851 2.699 2.925 0.083 2 0 "[ . 1 . 2]" 2
1087 1 32 ASP H 1 32 ASP QB 2.162 . 3.046 2.862 2.513 3.133 0.087 9 0 "[ . 1 . 2]" 2
1088 1 32 ASP H 1 41 GLU QG 3.768 . 5.543 3.393 2.986 4.043 . 0 0 "[ . 1 . 2]" 2
1089 1 19 THR H 1 19 THR HB 3.614 . 5.246 3.678 3.534 3.835 . 0 0 "[ . 1 . 2]" 2
1090 1 19 THR H 1 35 CYS QB 4.137 . 6.276 5.823 5.388 6.194 . 0 0 "[ . 1 . 2]" 2
1091 1 17 PRO QB 1 19 THR H 3.866 . 5.735 4.464 4.407 4.518 . 0 0 "[ . 1 . 2]" 2
1092 1 19 THR H 1 19 THR HA 2.675 . 3.569 2.933 2.918 2.947 . 0 0 "[ . 1 . 2]" 2
1093 1 16 CYS HA 1 19 THR H 4.020 . 6.040 5.054 4.896 5.233 . 0 0 "[ . 1 . 2]" 2
1094 1 18 GLY QA 1 19 THR H 2.545 . 3.355 2.794 2.704 2.931 . 0 0 "[ . 1 . 2]" 2
1095 1 16 CYS QB 1 19 THR H 3.469 . 4.973 3.422 3.320 3.710 . 0 0 "[ . 1 . 2]" 2
1096 1 17 PRO QG 1 19 THR H 3.840 . 5.683 5.568 5.484 5.645 . 0 0 "[ . 1 . 2]" 2
1097 1 19 THR H 1 19 THR MG 2.328 . 3.006 2.995 2.824 3.181 0.175 19 0 "[ . 1 . 2]" 2
1098 1 19 THR H 1 39 ALA MB 3.866 . 5.735 5.595 5.354 5.784 0.049 9 0 "[ . 1 . 2]" 2
1099 1 43 ILE MD 1 44 ALA H 4.020 . 6.040 4.940 4.821 5.055 . 0 0 "[ . 1 . 2]" 2
1100 1 43 ILE HA 1 44 ALA H 3.986 . 5.972 3.456 3.444 3.479 . 0 0 "[ . 1 . 2]" 2
1101 1 43 ILE HB 1 44 ALA H 3.791 . 5.588 4.008 3.964 4.067 . 0 0 "[ . 1 . 2]" 2
1102 1 70 SER QB 1 73 ARG H 4.340 . 6.694 5.866 5.398 6.375 . 0 0 "[ . 1 . 2]" 2
1103 1 69 ALA HA 1 72 LEU H 3.705 . 5.421 4.185 3.648 4.763 . 0 0 "[ . 1 . 2]" 2
1104 1 64 LEU HA 1 65 ARG H 3.113 . 4.325 3.546 3.498 3.573 . 0 0 "[ . 1 . 2]" 2
1105 1 65 ARG H 1 65 ARG HA 2.677 . 3.573 2.844 2.745 2.922 . 0 0 "[ . 1 . 2]" 2
1106 1 65 ARG H 1 65 ARG QD 3.163 . 4.414 3.739 3.366 4.115 . 0 0 "[ . 1 . 2]" 2
1107 1 64 LEU QB 1 65 ARG H 2.855 . 3.874 2.456 2.095 2.875 . 0 0 "[ . 1 . 2]" 2
1108 1 65 ARG H 1 65 ARG QB 2.520 . 3.314 2.518 2.330 2.725 . 0 0 "[ . 1 . 2]" 2
1109 1 65 ARG H 1 65 ARG QG 2.709 . 3.626 2.162 1.936 2.447 . 0 0 "[ . 1 . 2]" 2
1110 1 64 LEU MD1 1 65 ARG H 3.566 . 5.155 4.283 4.200 4.431 . 0 0 "[ . 1 . 2]" 2
1111 1 76 ARG H 1 76 ARG QB 3.631 . 5.279 2.414 2.090 3.005 . 0 0 "[ . 1 . 2]" 2
1112 1 76 ARG H 1 76 ARG QG 3.705 . 5.421 3.917 3.190 4.338 . 0 0 "[ . 1 . 2]" 2
1113 1 48 LEU MD1 1 49 TYR H 3.495 . 5.022 4.145 4.061 4.246 . 0 0 "[ . 1 . 2]" 2
1114 1 48 LEU HA 1 49 TYR H 2.852 . 3.869 3.112 2.864 3.572 . 0 0 "[ . 1 . 2]" 2
1115 1 49 TYR H 1 49 TYR QB 2.691 . 3.596 3.318 2.737 3.410 . 0 0 "[ . 1 . 2]" 2
1116 1 47 CYS QB 1 49 TYR H 3.986 . 5.972 2.811 2.539 3.278 . 0 0 "[ . 1 . 2]" 2
1117 1 61 THR HB 1 63 GLU H 3.866 . 5.735 5.386 5.030 5.736 0.001 7 0 "[ . 1 . 2]" 2
1118 1 63 GLU H 1 63 GLU QG 2.411 . 3.138 2.012 1.891 2.210 . 0 0 "[ . 1 . 2]" 2
1119 1 63 GLU H 1 64 LEU QB 4.095 . 6.191 4.178 3.898 4.390 . 0 0 "[ . 1 . 2]" 2
1120 1 16 CYS QB 1 21 VAL H 3.791 . 5.588 3.673 2.986 3.954 . 0 0 "[ . 1 . 2]" 2
1121 1 19 THR HB 1 21 VAL H 3.495 . 5.022 2.466 2.297 2.872 . 0 0 "[ . 1 . 2]" 2
1122 1 21 VAL H 1 21 VAL MG1 2.299 . 2.960 2.082 1.873 2.207 . 0 0 "[ . 1 . 2]" 2
1123 1 75 LEU H 1 75 LEU QB 2.589 . 3.427 2.179 2.041 2.305 . 0 0 "[ . 1 . 2]" 2
1124 1 74 LYS QB 1 75 LEU H 3.170 . 4.426 2.994 2.527 3.429 . 0 0 "[ . 1 . 2]" 2
1125 1 75 LEU H 1 75 LEU MD1 3.004 . 4.132 3.415 2.196 4.130 . 0 0 "[ . 1 . 2]" 2
1126 1 15 SER H 1 15 SER QB 2.144 . 2.719 2.175 2.050 2.276 . 0 0 "[ . 1 . 2]" 2
1127 1 14 PHE HA 1 15 SER H 2.243 . 2.872 2.160 2.146 2.184 . 0 0 "[ . 1 . 2]" 2
1128 1 15 SER H 1 23 VAL MG1 3.666 . 5.346 4.561 4.375 4.708 . 0 0 "[ . 1 . 2]" 2
1129 1 15 SER H 1 22 CYS HA 3.705 . 5.421 4.524 4.269 4.706 . 0 0 "[ . 1 . 2]" 2
1130 1 14 PHE QB 1 15 SER H 2.875 . 3.908 3.834 3.729 3.960 0.052 9 0 "[ . 1 . 2]" 2
1131 1 9 CYS QB 1 15 SER H 3.666 . 5.346 5.168 4.501 5.562 0.216 10 0 "[ . 1 . 2]" 2
1132 1 61 THR HA 1 64 LEU H 4.137 . 6.276 3.342 3.084 3.546 . 0 0 "[ . 1 . 2]" 2
1133 1 64 LEU H 1 64 LEU QB 2.195 . 2.797 2.091 2.047 2.130 . 0 0 "[ . 1 . 2]" 2
1134 1 63 GLU QG 1 64 LEU H 3.043 . 4.200 3.741 3.542 3.852 . 0 0 "[ . 1 . 2]" 2
1135 1 63 GLU QB 1 64 LEU H 2.493 . 3.270 2.856 2.572 3.021 . 0 0 "[ . 1 . 2]" 2
1136 1 64 LEU H 1 64 LEU MD1 3.014 . 4.149 2.309 2.095 2.569 . 0 0 "[ . 1 . 2]" 2
1137 1 68 LEU H 1 68 LEU QB 2.693 . 3.600 2.209 2.147 2.255 . 0 0 "[ . 1 . 2]" 2
1138 1 5 GLU H 1 5 GLU QG 3.768 . 5.543 2.690 1.940 4.295 0.053 14 0 "[ . 1 . 2]" 2
1139 1 13 SER QB 1 25 GLU H 3.227 . 4.529 3.988 3.512 4.340 . 0 0 "[ . 1 . 2]" 2
1140 1 24 PRO HA 1 25 GLU H 2.376 . 3.082 2.302 2.209 2.385 . 0 0 "[ . 1 . 2]" 2
1141 1 25 GLU H 1 25 GLU HA 2.711 . 3.630 2.809 2.781 2.827 . 0 0 "[ . 1 . 2]" 2
1142 1 13 SER HA 1 25 GLU H 2.842 . 3.852 2.109 1.930 2.590 . 0 0 "[ . 1 . 2]" 2
1143 1 25 GLU H 1 25 GLU QG 2.524 . 6.500 3.688 3.577 3.837 . 0 0 "[ . 1 . 2]" 2
1144 1 24 PRO QB 1 25 GLU H 2.713 . 3.633 2.790 2.629 2.968 . 0 0 "[ . 1 . 2]" 2
1145 1 25 GLU H 1 25 GLU QB 2.276 . 2.924 2.074 2.040 2.099 . 0 0 "[ . 1 . 2]" 2
1146 1 25 GLU H 1 28 LEU MD2 3.433 . 4.906 4.459 4.191 4.693 . 0 0 "[ . 1 . 2]" 2
1147 1 25 GLU H 1 28 LEU MD1 3.894 . 5.789 4.106 3.824 4.693 . 0 0 "[ . 1 . 2]" 2
1148 1 47 CYS HA 1 48 LEU H 2.621 . 3.480 3.280 3.216 3.399 . 0 0 "[ . 1 . 2]" 2
1149 1 48 LEU H 1 48 LEU MD1 2.878 . 3.914 2.133 2.034 2.222 . 0 0 "[ . 1 . 2]" 2
1150 1 48 LEU H 1 49 TYR QD 4.230 . 6.466 4.922 4.163 5.213 . 0 0 "[ . 1 . 2]" 2
1151 1 43 ILE HA 1 48 LEU H 3.815 . 5.634 3.149 2.671 3.517 . 0 0 "[ . 1 . 2]" 2
1152 1 48 LEU H 1 48 LEU HA 2.763 . 3.718 2.270 2.261 2.273 . 0 0 "[ . 1 . 2]" 2
1153 1 48 LEU H 1 48 LEU QB 2.487 . 6.500 3.427 3.385 3.451 . 0 0 "[ . 1 . 2]" 2
1154 1 47 CYS QB 1 48 LEU H 2.558 . 3.376 3.398 3.143 3.510 0.134 9 0 "[ . 1 . 2]" 2
1155 1 48 LEU H 1 48 LEU HG 2.649 . 6.500 4.473 4.410 4.583 . 0 0 "[ . 1 . 2]" 2
1156 1 48 LEU H 1 48 LEU MD2 2.729 . 3.660 3.065 2.807 3.254 . 0 0 "[ . 1 . 2]" 2
1157 1 78 ARG HA 1 79 LEU H 2.978 . 4.086 3.113 2.204 3.568 . 0 0 "[ . 1 . 2]" 2
1158 1 37 ASP HA 1 38 GLY H 2.702 . 3.615 2.887 2.833 2.948 . 0 0 "[ . 1 . 2]" 2
1159 1 38 GLY H 1 38 GLY QA 2.131 . 2.699 2.201 2.189 2.208 . 0 0 "[ . 1 . 2]" 2
1160 1 33 LYS QE 1 38 GLY H 2.978 . 4.086 3.902 2.100 4.216 0.130 4 0 "[ . 1 . 2]" 2
1161 1 37 ASP QB 1 38 GLY H 2.995 . 4.116 3.823 3.781 3.870 . 0 0 "[ . 1 . 2]" 2
1162 1 35 CYS QB 1 38 GLY H 2.673 . 3.566 2.910 2.777 2.998 . 0 0 "[ . 1 . 2]" 2
1163 1 33 LYS QB 1 38 GLY H 2.736 . 3.672 2.567 2.428 2.745 . 0 0 "[ . 1 . 2]" 2
1164 1 33 LYS QD 1 38 GLY H 2.685 . 3.586 3.375 3.099 3.766 0.180 3 0 "[ . 1 . 2]" 2
1165 1 33 LYS QG 1 38 GLY H 2.896 . 3.944 3.972 3.899 4.038 0.094 1 0 "[ . 1 . 2]" 2
1166 1 38 GLY H 1 39 ALA MB 2.868 . 6.500 4.309 4.235 4.408 . 0 0 "[ . 1 . 2]" 2
1167 1 36 ALA MB 1 38 GLY H 3.074 . 4.405 4.495 4.361 4.563 0.158 3 0 "[ . 1 . 2]" 2
1168 1 43 ILE HB 1 46 GLY H 3.482 . 4.997 5.080 5.010 5.146 0.149 18 0 "[ . 1 . 2]" 2
1169 1 28 LEU MD2 1 46 GLY H 3.310 . 4.679 4.006 3.846 4.181 . 0 0 "[ . 1 . 2]" 2
1170 1 42 SER QB 1 46 GLY H 4.020 . 6.040 5.094 4.881 5.238 . 0 0 "[ . 1 . 2]" 2
1171 1 43 ILE HA 1 46 GLY H 2.467 . 3.227 2.729 2.648 2.805 . 0 0 "[ . 1 . 2]" 2
1172 1 45 ALA HA 1 46 GLY H 2.577 . 3.407 3.455 3.416 3.479 0.072 2 0 "[ . 1 . 2]" 2
1173 1 46 GLY H 1 46 GLY QA 2.002 . 2.503 2.316 2.300 2.323 . 0 0 "[ . 1 . 2]" 2
1174 1 46 GLY H 1 47 CYS QB 2.858 . 3.879 3.706 3.650 3.797 . 0 0 "[ . 1 . 2]" 2
1175 1 43 ILE QG 1 46 GLY H 3.347 . 4.747 3.600 3.495 3.723 . 0 0 "[ . 1 . 2]" 2
1176 1 46 GLY H 1 48 LEU MD1 3.258 . 6.500 4.854 4.457 5.068 . 0 0 "[ . 1 . 2]" 2
1177 1 45 ALA MB 1 46 GLY H 2.316 . 2.987 2.882 2.784 3.016 0.029 14 0 "[ . 1 . 2]" 2
1178 1 43 ILE MG 1 46 GLY H 3.091 . 6.500 4.486 4.432 4.535 . 0 0 "[ . 1 . 2]" 2
1179 1 43 ILE MD 1 46 GLY H 3.631 . 5.279 4.041 3.730 4.340 . 0 0 "[ . 1 . 2]" 2
1180 1 66 VAL H 1 66 VAL HA 2.440 . 3.184 2.868 2.820 2.908 . 0 0 "[ . 1 . 2]" 2
1181 1 66 VAL H 1 66 VAL HB 2.230 . 2.852 2.505 2.430 2.627 . 0 0 "[ . 1 . 2]" 2
1182 1 65 ARG QG 1 66 VAL H 2.611 . 3.463 2.178 1.910 2.496 . 0 0 "[ . 1 . 2]" 2
1183 1 66 VAL H 1 66 VAL MG2 2.067 . 2.601 2.301 2.033 2.546 . 0 0 "[ . 1 . 2]" 2
1184 1 64 LEU HA 1 67 ARG H 3.597 . 5.214 3.882 3.441 4.442 . 0 0 "[ . 1 . 2]" 2
1185 1 66 VAL HB 1 67 ARG H 3.242 . 4.556 2.982 2.041 3.413 . 0 0 "[ . 1 . 2]" 2
1186 1 67 ARG H 1 67 ARG QB 2.787 . 3.758 2.182 2.053 2.453 . 0 0 "[ . 1 . 2]" 2
1187 1 67 ARG H 1 67 ARG QG 2.827 . 3.826 3.371 2.204 4.011 0.185 18 0 "[ . 1 . 2]" 2
1188 1 68 LEU QB 1 69 ALA H 3.410 . 4.863 2.470 1.910 2.892 0.047 16 0 "[ . 1 . 2]" 2
1189 1 68 LEU MD1 1 69 ALA H 3.866 . 5.735 2.809 2.168 3.625 . 0 0 "[ . 1 . 2]" 2
1190 1 69 ALA H 1 69 ALA MB 3.033 . 4.183 2.170 2.088 2.231 . 0 0 "[ . 1 . 2]" 2
1191 1 74 LYS H 1 74 LYS QB 3.746 . 5.500 2.260 2.051 2.549 . 0 0 "[ . 1 . 2]" 2
1192 1 23 VAL H 1 24 PRO QD 4.137 . 6.276 4.213 4.095 4.307 . 0 0 "[ . 1 . 2]" 2
1193 1 13 SER QB 1 23 VAL H 4.137 . 6.276 4.676 4.010 5.194 . 0 0 "[ . 1 . 2]" 2
1194 1 42 SER H 1 43 ILE HA 4.056 . 6.113 5.611 5.416 5.748 . 0 0 "[ . 1 . 2]" 2
1195 1 24 PRO HA 1 27 TRP H 4.056 . 6.113 4.498 4.287 4.697 . 0 0 "[ . 1 . 2]" 2
1196 1 61 THR MG 1 62 GLU H 4.474 . 6.976 4.022 3.735 4.188 . 0 0 "[ . 1 . 2]" 2
1197 1 17 PRO QD 1 40 ASP H 4.871 . 7.837 4.145 3.904 4.382 . 0 0 "[ . 1 . 2]" 2
1198 1 31 GLY H 1 41 GLU QB 4.095 . 6.191 4.809 3.550 5.201 . 0 0 "[ . 1 . 2]" 2
1199 1 13 SER H 1 28 LEU MD2 4.020 . 6.040 5.938 5.498 6.341 0.301 3 0 "[ . 1 . 2]" 2
1200 1 42 SER QB 1 47 CYS H 4.748 . 7.566 5.411 5.243 5.562 . 0 0 "[ . 1 . 2]" 2
1201 1 45 ALA HA 1 47 CYS H 3.150 . 6.500 5.220 5.100 5.388 . 0 0 "[ . 1 . 2]" 2
1202 1 24 PRO QD 1 27 TRP H 4.056 . 6.113 3.925 3.379 4.296 . 0 0 "[ . 1 . 2]" 2
1203 1 39 ALA HA 1 45 ALA H 4.137 . 6.276 5.038 4.553 5.451 . 0 0 "[ . 1 . 2]" 2
1204 1 42 SER HA 1 45 ALA H 4.020 . 6.040 5.026 4.851 5.200 . 0 0 "[ . 1 . 2]" 2
1205 1 49 TYR H 1 49 TYR QE 4.553 . 7.144 4.757 3.842 4.913 . 0 0 "[ . 1 . 2]" 2
1206 1 43 ILE HA 1 49 TYR H 4.748 . 7.566 3.200 2.962 4.746 . 0 0 "[ . 1 . 2]" 2
1207 1 26 ARG HA 1 29 CYS H 4.643 . 7.338 4.503 4.078 4.818 . 0 0 "[ . 1 . 2]" 2
1208 1 23 VAL H 1 27 TRP QB 4.230 . 6.466 5.672 5.460 5.844 . 0 0 "[ . 1 . 2]" 2
1209 1 27 TRP QB 1 30 ASP H 4.181 . 6.366 4.894 4.595 5.151 . 0 0 "[ . 1 . 2]" 2
1210 1 30 ASP H 1 45 ALA MB 4.553 . 7.144 7.096 6.802 7.218 0.074 12 0 "[ . 1 . 2]" 2
1211 1 68 LEU H 1 69 ALA MB 4.181 . 6.366 4.476 4.302 4.604 . 0 0 "[ . 1 . 2]" 2
1212 1 46 GLY QA 1 48 LEU H 4.137 . 6.276 2.939 2.892 3.120 . 0 0 "[ . 1 . 2]" 2
1213 1 14 PHE HZ 1 39 ALA H 4.474 . 6.976 6.455 6.072 6.674 . 0 0 "[ . 1 . 2]" 2
1214 1 46 GLY H 1 47 CYS HA 3.536 . 5.099 4.645 4.611 4.695 . 0 0 "[ . 1 . 2]" 2
1215 1 28 LEU MD1 1 46 GLY H 3.923 . 5.846 5.576 5.069 5.786 . 0 0 "[ . 1 . 2]" 2
1216 1 19 THR HA 1 21 VAL H 3.791 . 5.588 3.824 3.717 4.189 . 0 0 "[ . 1 . 2]" 2
1217 1 34 ASP QB 1 40 ASP H 4.095 . 6.191 4.798 4.396 5.953 . 0 0 "[ . 1 . 2]" 2
1218 1 9 CYS QB 1 14 PHE H 3.746 . 5.500 5.251 4.495 5.586 0.086 4 0 "[ . 1 . 2]" 2
1219 1 14 PHE H 1 14 PHE QB 2.899 . 3.601 2.542 2.343 2.715 . 0 0 "[ . 1 . 2]" 2
1220 1 14 PHE H 1 22 CYS HA 4.643 . 7.338 4.980 4.531 5.442 . 0 0 "[ . 1 . 2]" 2
1221 1 14 PHE H 1 25 GLU HA 4.230 . 6.466 4.397 3.776 4.908 . 0 0 "[ . 1 . 2]" 2
1222 1 35 CYS QB 1 40 ASP H 2.564 . 3.386 2.061 1.857 2.290 . 0 0 "[ . 1 . 2]" 2
1223 1 40 ASP H 1 41 GLU QG 3.310 . 4.679 4.369 3.984 5.061 0.382 9 0 "[ . 1 . 2]" 2
1224 1 40 ASP H 1 40 ASP QB 2.685 . 3.586 2.437 2.114 2.975 . 0 0 "[ . 1 . 2]" 2
1225 1 40 ASP H 1 40 ASP HA 2.679 . 3.576 2.810 2.786 2.855 . 0 0 "[ . 1 . 2]" 2
1226 1 39 ALA HA 1 40 ASP H 3.163 . 4.414 3.505 3.464 3.535 . 0 0 "[ . 1 . 2]" 2
1227 1 14 PHE QE 1 40 ASP H 3.648 . 5.312 3.639 3.305 3.974 . 0 0 "[ . 1 . 2]" 2
1228 1 40 ASP H 1 42 SER QB 3.815 . 5.634 4.685 4.432 5.008 . 0 0 "[ . 1 . 2]" 2
1229 1 39 ALA MB 1 40 ASP H 2.364 . 3.063 2.733 2.609 2.843 . 0 0 "[ . 1 . 2]" 2
1230 1 38 GLY QA 1 40 ASP H 3.198 . 4.476 3.310 3.171 3.463 . 0 0 "[ . 1 . 2]" 2
1231 1 44 ALA H 1 44 ALA MB 2.532 . 3.334 2.114 2.011 2.226 . 0 0 "[ . 1 . 2]" 2
1232 1 39 ALA HA 1 44 ALA H 4.230 . 6.466 4.823 4.400 5.229 . 0 0 "[ . 1 . 2]" 2
1233 1 42 SER QB 1 44 ALA H 3.614 . 5.246 2.424 2.140 2.550 . 0 0 "[ . 1 . 2]" 2
1234 1 43 ILE QG 1 44 ALA H 3.840 . 5.683 4.078 4.000 4.169 . 0 0 "[ . 1 . 2]" 2
1235 1 44 ALA H 1 44 ALA HA 2.763 . 3.718 2.751 2.735 2.763 . 0 0 "[ . 1 . 2]" 2
1236 1 33 LYS QD 1 40 ASP H 4.282 . 6.574 6.295 5.757 6.504 . 0 0 "[ . 1 . 2]" 2
1237 1 31 GLY H 1 41 GLU QG 4.095 . 6.191 4.009 3.344 4.326 . 0 0 "[ . 1 . 2]" 2
1238 1 28 LEU H 1 30 ASP QB 3.597 . 5.214 4.218 3.672 4.589 . 0 0 "[ . 1 . 2]" 2
1239 1 16 CYS QB 1 37 ASP H 4.020 . 6.040 5.615 5.081 6.324 0.284 14 0 "[ . 1 . 2]" 2
1240 1 33 LYS QE 1 37 ASP H 4.181 . 6.366 5.689 4.419 6.201 . 0 0 "[ . 1 . 2]" 2
1241 1 33 LYS QG 1 37 ASP H 4.095 . 6.191 6.254 6.205 6.329 0.138 14 0 "[ . 1 . 2]" 2
1242 1 9 CYS HA 1 13 SER H 4.181 . 6.366 5.059 4.478 5.610 . 0 0 "[ . 1 . 2]" 2
1243 1 14 PHE QD 1 42 SER H 4.020 . 6.500 6.270 5.852 6.508 0.008 15 0 "[ . 1 . 2]" 2
1244 1 27 TRP QB 1 35 CYS H 4.181 . 6.366 5.636 5.290 6.009 . 0 0 "[ . 1 . 2]" 2
1245 1 25 GLU QG 1 27 TRP H 4.340 . 6.694 5.351 5.136 5.612 . 0 0 "[ . 1 . 2]" 2
1246 1 14 PHE QE 1 17 PRO HD2 3.252 . 4.574 2.532 2.374 2.796 . 0 0 "[ . 1 . 2]" 2
1247 1 14 PHE QB 1 14 PHE QD 2.772 . 3.733 2.130 2.124 2.143 . 0 0 "[ . 1 . 2]" 2
1248 1 48 LEU HA 1 49 TYR QD 3.345 . 4.744 4.367 4.027 4.617 . 0 0 "[ . 1 . 2]" 2
1249 1 49 TYR HA 1 49 TYR QD 2.624 . 3.485 3.467 3.220 3.604 0.119 20 0 "[ . 1 . 2]" 2
1250 1 43 ILE MD 1 49 TYR QD 2.906 . 3.962 3.460 3.185 3.795 . 0 0 "[ . 1 . 2]" 2
1251 1 68 LEU QD 1 71 HIS HD2 2.934 . 4.010 3.089 1.916 3.513 . 0 0 "[ . 1 . 2]" 2
1252 1 41 GLU HA 1 49 TYR QE 3.322 . 4.701 3.773 3.560 4.179 . 0 0 "[ . 1 . 2]" 2
1253 1 49 TYR QE 1 51 SER HB3 3.446 . 4.930 4.181 2.735 5.076 0.146 19 0 "[ . 1 . 2]" 2
1254 1 47 CYS HB3 1 49 TYR QE 2.740 . 3.678 3.491 2.682 3.932 0.254 14 0 "[ . 1 . 2]" 2
1255 1 41 GLU HG3 1 49 TYR QE 3.339 . 4.733 4.517 3.791 4.887 0.154 18 0 "[ . 1 . 2]" 2
1256 1 28 LEU HB2 1 49 TYR QE 3.294 . 6.000 5.473 4.963 5.968 . 0 0 "[ . 1 . 2]" 2
1257 1 15 SER QB 1 22 CYS HA 2.920 . 3.986 3.881 3.395 4.078 0.092 1 0 "[ . 1 . 2]" 2
1258 1 21 VAL MG2 1 35 CYS HA 3.223 . 4.522 4.021 3.728 4.252 . 0 0 "[ . 1 . 2]" 2
1259 1 13 SER HA 1 24 PRO HB3 3.084 . 4.273 3.069 2.918 3.430 . 0 0 "[ . 1 . 2]" 2
1260 1 14 PHE QD 1 16 CYS HA 3.112 . 4.323 2.692 2.430 3.350 . 0 0 "[ . 1 . 2]" 2
1261 1 16 CYS HA 1 40 ASP HB2 2.250 . 6.000 4.788 3.940 5.673 . 0 0 "[ . 1 . 2]" 2
1262 1 16 CYS HA 1 36 ALA MB 3.328 . 4.712 4.542 3.879 4.937 0.225 3 0 "[ . 1 . 2]" 2
1263 1 16 CYS HA 1 17 PRO HG2 2.740 . 3.678 3.206 2.983 3.367 . 0 0 "[ . 1 . 2]" 2
1264 1 23 VAL QG 1 34 ASP HA 2.847 . 6.000 4.596 4.158 5.182 . 0 0 "[ . 1 . 2]" 2
1265 1 43 ILE HG13 1 49 TYR HA 3.162 . 4.412 4.439 3.909 4.507 0.095 5 0 "[ . 1 . 2]" 2
1266 1 54 SER HA 1 54 SER QB 1.571 . 1.880 1.990 1.936 2.092 0.212 8 0 "[ . 1 . 2]" 2
1267 1 71 HIS HA 1 75 LEU QD 2.460 . 3.216 2.318 1.819 3.320 0.104 2 0 "[ . 1 . 2]" 2
1268 1 7 LYS HA 1 7 LYS QB 2.329 . 3.007 2.140 1.794 2.480 . 0 0 "[ . 1 . 2]" 2
1269 1 39 ALA MB 1 42 SER HB3 3.044 . 4.203 4.241 4.135 4.392 0.189 18 0 "[ . 1 . 2]" 2
1270 1 61 THR HB 1 64 LEU HB2 3.044 . 6.000 4.611 4.516 4.706 . 0 0 "[ . 1 . 2]" 2
1271 1 51 SER HB3 1 52 THR HB 3.166 . 4.419 4.010 3.110 4.660 0.241 5 0 "[ . 1 . 2]" 2
1272 1 61 THR HB 1 62 GLU QG 3.267 . 6.000 5.310 4.424 5.835 . 0 0 "[ . 1 . 2]" 2
1273 1 48 LEU MD2 1 61 THR HB 2.685 . 3.586 3.297 2.600 3.672 0.086 5 0 "[ . 1 . 2]" 2
1274 1 9 CYS HA 1 24 PRO HA 3.613 . 5.245 4.076 3.963 4.212 . 0 0 "[ . 1 . 2]" 2
1275 1 24 PRO HA 1 24 PRO HD3 3.501 . 5.033 3.405 2.849 3.650 . 0 0 "[ . 1 . 2]" 2
1276 1 24 PRO HA 1 26 ARG QG 3.527 . 5.182 3.973 3.727 4.541 . 0 0 "[ . 1 . 2]" 2
1277 1 24 PRO HA 1 24 PRO HB2 2.481 . 3.250 2.877 2.727 2.893 . 0 0 "[ . 1 . 2]" 2
1278 1 40 ASP HA 1 45 ALA HA 3.278 . 4.621 4.436 4.035 4.604 . 0 0 "[ . 1 . 2]" 2
1279 1 61 THR HA 1 62 GLU QB 3.518 . 5.065 4.786 4.705 4.843 . 0 0 "[ . 1 . 2]" 2
1280 1 61 THR HA 1 64 LEU HB2 2.403 . 3.125 1.984 1.885 2.114 . 0 0 "[ . 1 . 2]" 2
1281 1 68 LEU HG 1 69 ALA HA 2.605 . 6.000 3.520 2.677 4.378 . 0 0 "[ . 1 . 2]" 2
1282 1 66 VAL MG1 1 70 SER HA 3.299 . 4.660 3.995 3.602 4.443 . 0 0 "[ . 1 . 2]" 2
1283 1 70 SER HA 1 70 SER QB 1.900 . 2.351 2.224 2.152 2.362 0.011 19 0 "[ . 1 . 2]" 2
1284 1 62 GLU HA 1 65 ARG QD 2.512 . 3.301 3.028 2.403 3.375 0.074 20 0 "[ . 1 . 2]" 2
1285 1 48 LEU MD2 1 62 GLU HA 2.679 . 3.576 2.417 1.896 2.836 . 0 0 "[ . 1 . 2]" 2
1286 1 17 PRO HD2 1 17 PRO HG2 2.621 . 3.480 1.732 1.698 1.809 0.064 20 0 "[ . 1 . 2]" 2
1287 1 64 LEU HA 1 64 LEU HB2 1.972 . 2.458 2.205 2.099 2.390 . 0 0 "[ . 1 . 2]" 2
1288 1 64 LEU HA 1 64 LEU MD1 1.986 . 2.479 2.081 1.903 2.243 . 0 0 "[ . 1 . 2]" 2
1289 1 26 ARG HB3 1 74 LYS HA 1.959 . 6.000 3.495 3.074 3.750 . 0 0 "[ . 1 . 2]" 2
1290 1 63 GLU HA 1 63 GLU QG 2.129 . 2.695 2.681 2.550 2.738 0.043 6 0 "[ . 1 . 2]" 2
1291 1 33 LYS QD 1 38 GLY HA2 2.676 . 3.571 3.070 2.779 3.193 . 0 0 "[ . 1 . 2]" 2
1292 1 53 GLY QA 1 54 SER HA 2.789 . 3.761 3.224 3.147 3.346 . 0 0 "[ . 1 . 2]" 2
1293 1 57 GLY QA 1 62 GLU QG 2.957 . 4.050 3.935 3.230 4.203 0.153 18 0 "[ . 1 . 2]" 2
1294 1 57 GLY QA 1 62 GLU QB 2.726 . 3.655 3.688 3.382 3.947 0.292 5 0 "[ . 1 . 2]" 2
1295 1 43 ILE MD 1 57 GLY QA 2.518 . 6.000 4.706 4.447 4.890 . 0 0 "[ . 1 . 2]" 2
1296 1 52 THR MG 1 53 GLY QA 3.162 . 4.412 4.255 3.265 4.596 0.184 6 0 "[ . 1 . 2]" 2
1297 1 33 LYS QD 1 53 GLY QA 2.952 . 6.000 5.096 3.242 5.992 . 0 0 "[ . 1 . 2]" 2
1298 1 58 SER HB3 1 61 THR MG 3.703 . 5.417 4.682 3.808 5.530 0.113 5 0 "[ . 1 . 2]" 2
1299 1 58 SER HA 1 58 SER HB3 1.939 . 2.409 2.288 2.136 2.414 0.005 4 0 "[ . 1 . 2]" 2
1300 1 58 SER HB3 1 62 GLU QG 3.219 . 4.514 3.801 2.748 4.306 . 0 0 "[ . 1 . 2]" 2
1301 1 58 SER HB3 1 62 GLU QB 2.937 . 4.015 2.935 1.921 4.111 0.096 5 0 "[ . 1 . 2]" 2
1302 1 60 SER HB3 1 64 LEU HB2 3.299 . 4.660 4.463 4.123 4.673 0.013 2 0 "[ . 1 . 2]" 2
1303 1 60 SER HB3 1 64 LEU QD 3.223 . 4.522 2.337 1.966 2.792 . 0 0 "[ . 1 . 2]" 2
1304 1 67 ARG HA 1 70 SER HB3 1.872 . 2.410 2.483 2.272 2.703 0.293 16 0 "[ . 1 . 2]" 2
1305 1 26 ARG QD 1 70 SER HB3 3.029 . 4.176 3.200 2.025 4.137 . 0 0 "[ . 1 . 2]" 2
1306 1 26 ARG HB2 1 70 SER HB3 2.830 . 4.031 3.747 3.172 4.286 0.255 18 0 "[ . 1 . 2]" 2
1307 1 26 ARG QG 1 70 SER HB3 3.138 . 4.369 3.504 2.210 4.315 . 0 0 "[ . 1 . 2]" 2
1308 1 26 ARG QG 1 70 SER HB2 3.196 . 4.473 2.722 1.903 3.647 0.016 15 0 "[ . 1 . 2]" 2
1309 1 2 SER HA 1 2 SER HB3 1.688 . 2.044 1.990 1.899 2.142 0.098 1 0 "[ . 1 . 2]" 2
1310 1 56 SER HB3 1 62 GLU QG 2.865 . 3.891 3.392 1.935 3.901 0.010 17 0 "[ . 1 . 2]" 2
1311 1 51 SER HA 1 51 SER HB2 1.663 . 2.009 2.153 2.014 2.476 0.467 8 0 "[ . 1 . 2]" 2
1312 1 27 TRP HB2 1 34 ASP HB3 3.485 . 5.003 4.285 3.838 4.806 . 0 0 "[ . 1 . 2]" 2
1313 1 16 CYS HB3 1 17 PRO HD3 3.196 . 4.473 4.123 3.645 4.313 . 0 0 "[ . 1 . 2]" 2
1314 1 17 PRO HB2 1 17 PRO HD3 2.697 . 3.606 2.291 2.269 2.303 . 0 0 "[ . 1 . 2]" 2
1315 1 24 PRO HA 1 25 GLU HA 3.454 . 4.945 4.006 3.972 4.023 . 0 0 "[ . 1 . 2]" 2
1316 1 43 ILE MD 1 46 GLY HA2 3.041 . 4.197 2.855 2.582 3.103 . 0 0 "[ . 1 . 2]" 2
1317 1 16 CYS HB3 1 19 THR MG 3.238 . 4.648 3.795 3.624 4.016 . 0 0 "[ . 1 . 2]" 2
1318 1 16 CYS HB3 1 17 PRO HG2 2.962 . 6.000 4.846 4.475 5.079 . 0 0 "[ . 1 . 2]" 2
1319 1 8 THR MG 1 13 SER QB 3.377 . 4.802 3.807 3.023 4.312 . 0 0 "[ . 1 . 2]" 2
1320 1 9 CYS HB3 1 13 SER QB 2.716 . 3.638 3.401 2.998 3.850 0.212 10 0 "[ . 1 . 2]" 2
1321 1 13 SER QB 1 14 PHE QB 2.764 . 6.000 4.035 3.101 4.383 . 0 0 "[ . 1 . 2]" 2
1322 1 9 CYS HB2 1 13 SER QB 2.576 . 3.406 3.261 2.923 3.508 0.102 11 0 "[ . 1 . 2]" 2
1323 1 11 PRO QG 1 13 SER QB 3.573 . 5.169 3.943 3.455 4.529 . 0 0 "[ . 1 . 2]" 2
1324 1 71 HIS QB 1 71 HIS HD2 2.687 . 3.589 2.778 2.594 3.277 . 0 0 "[ . 1 . 2]" 2
1325 1 68 LEU HA 1 71 HIS QB 2.569 . 6.000 3.875 3.269 4.821 . 0 0 "[ . 1 . 2]" 2
1326 1 68 LEU HG 1 71 HIS HB3 2.930 . 4.103 4.032 3.503 4.349 0.246 20 0 "[ . 1 . 2]" 2
1327 1 69 ALA MB 1 71 HIS QB 3.029 . 4.176 3.974 3.453 4.292 0.116 3 0 "[ . 1 . 2]" 2
1328 1 68 LEU QD 1 71 HIS QB 2.426 . 3.162 2.908 2.395 3.576 0.414 13 0 "[ . 1 . 2]" 2
1329 1 26 ARG QD 1 27 TRP HD1 3.080 . 4.266 3.346 1.869 4.233 0.025 2 0 "[ . 1 . 2]" 2
1330 1 9 CYS HA 1 73 ARG QD 2.949 . 6.000 4.126 3.651 4.784 . 0 0 "[ . 1 . 2]" 2
1331 1 26 ARG HA 1 26 ARG QD 1.916 . 2.375 2.075 1.790 2.549 0.174 18 0 "[ . 1 . 2]" 2
1332 1 26 ARG QD 1 66 VAL HA 2.646 . 3.521 2.144 1.788 3.029 . 0 0 "[ . 1 . 2]" 2
1333 1 62 GLU QG 1 65 ARG QD 2.824 . 3.821 3.775 3.556 4.205 0.384 6 0 "[ . 1 . 2]" 2
1334 1 26 ARG HB2 1 26 ARG QD 1.553 . 1.855 1.832 1.685 1.944 0.089 6 0 "[ . 1 . 2]" 2
1335 1 67 ARG QD 1 67 ARG QG 1.489 . 1.766 1.762 1.708 1.792 0.026 1 0 "[ . 1 . 2]" 2
1336 1 24 PRO HB2 1 26 ARG QD 2.574 . 3.402 3.163 2.476 3.584 0.182 15 0 "[ . 1 . 2]" 2
1337 1 23 VAL MG2 1 24 PRO HD3 2.643 . 3.516 2.547 2.440 2.620 . 0 0 "[ . 1 . 2]" 2
1338 1 13 SER QB 1 14 PHE HB3 3.262 . 4.592 4.208 3.135 4.609 0.017 4 0 "[ . 1 . 2]" 2
1339 1 43 ILE MD 1 49 TYR HB2 3.073 . 6.000 4.704 4.429 5.013 . 0 0 "[ . 1 . 2]" 2
1340 1 16 CYS HB2 1 17 PRO HG2 2.843 . 6.000 4.398 4.292 4.819 . 0 0 "[ . 1 . 2]" 2
1341 1 28 LEU HA 1 74 LYS HE2 2.915 . 6.850 6.907 6.529 7.210 0.360 3 0 "[ . 1 . 2]" 2
1342 1 23 VAL MG2 1 24 PRO HD2 2.927 . 3.998 1.983 1.781 2.124 0.075 12 0 "[ . 1 . 2]" 2
1343 1 5 GLU QG 1 21 VAL MG2 2.492 . 6.000 3.112 2.248 4.034 . 0 0 "[ . 1 . 2]" 2
1344 1 5 GLU HB3 1 5 GLU QG 1.644 . 1.982 1.731 1.700 1.782 . 0 0 "[ . 1 . 2]" 2
1345 1 5 GLU QG 1 8 THR MG 3.150 . 6.000 5.096 4.899 5.210 . 0 0 "[ . 1 . 2]" 2
1346 1 14 PHE HB3 1 23 VAL HB 3.020 . 4.160 3.936 3.445 4.249 0.089 6 0 "[ . 1 . 2]" 2
1347 1 26 ARG QG 1 66 VAL HB 3.383 . 4.814 4.682 3.758 5.086 0.272 19 0 "[ . 1 . 2]" 2
1348 1 66 VAL HB 1 66 VAL QG 1.867 . 2.303 1.879 1.860 1.892 . 0 0 "[ . 1 . 2]" 2
1349 1 58 SER HA 1 62 GLU QB 3.057 . 4.225 3.410 3.143 3.549 . 0 0 "[ . 1 . 2]" 2
1350 1 62 GLU QB 1 66 VAL MG2 2.654 . 6.000 3.762 2.956 4.052 . 0 0 "[ . 1 . 2]" 2
1351 1 62 GLU QB 1 62 GLU QG 1.617 . 1.944 1.806 1.784 1.837 . 0 0 "[ . 1 . 2]" 2
1352 1 61 THR MG 1 62 GLU QB 3.510 . 5.050 4.921 4.683 5.137 0.087 19 0 "[ . 1 . 2]" 2
1353 1 62 GLU HA 1 62 GLU QB 1.970 . 2.455 2.070 2.013 2.120 . 0 0 "[ . 1 . 2]" 2
1354 1 9 CYS HA 1 11 PRO HB3 3.158 . 6.000 5.373 5.255 5.428 . 0 0 "[ . 1 . 2]" 2
1355 1 26 ARG HB2 1 26 ARG QG 2.530 . 3.330 1.876 1.698 2.327 0.032 5 0 "[ . 1 . 2]" 2
1356 1 24 PRO HB2 1 25 GLU HB3 3.527 . 5.082 4.344 3.457 4.804 . 0 0 "[ . 1 . 2]" 2
1357 1 33 LYS HG3 1 41 GLU HG2 2.909 . 3.966 2.536 2.137 2.926 . 0 0 "[ . 1 . 2]" 2
1358 1 13 SER QB 1 73 ARG QB 3.131 . 4.356 3.896 3.798 4.010 . 0 0 "[ . 1 . 2]" 2
1359 1 65 ARG HA 1 65 ARG QB 1.779 . 2.174 1.926 1.885 1.972 . 0 0 "[ . 1 . 2]" 2
1360 1 65 ARG QB 1 65 ARG QD 1.775 . 2.169 1.905 1.790 2.053 . 0 0 "[ . 1 . 2]" 2
1361 1 33 LYS HB2 1 33 LYS HG3 1.588 . 1.903 1.890 1.852 1.937 0.034 9 0 "[ . 1 . 2]" 2
1362 1 48 LEU MD2 1 65 ARG QB 2.158 . 3.350 2.578 1.937 3.078 . 0 0 "[ . 1 . 2]" 2
1363 1 35 CYS HB3 1 39 ALA MB 2.529 . 3.328 2.438 2.338 2.572 . 0 0 "[ . 1 . 2]" 2
1364 1 17 PRO HB2 1 39 ALA MB 2.299 . 2.960 2.627 2.546 2.720 . 0 0 "[ . 1 . 2]" 2
1365 1 37 ASP HB3 1 39 ALA MB 3.469 . 4.973 3.882 3.509 4.283 . 0 0 "[ . 1 . 2]" 2
1366 1 19 THR MG 1 39 ALA MB 2.884 . 3.924 3.629 3.368 3.907 . 0 0 "[ . 1 . 2]" 2
1367 1 26 ARG HA 1 26 ARG HB3 2.640 . 3.511 2.814 2.593 2.877 . 0 0 "[ . 1 . 2]" 2
1368 1 11 PRO HB2 1 73 ARG HG2 3.703 . 5.417 4.810 4.253 5.283 . 0 0 "[ . 1 . 2]" 2
1369 1 65 ARG QD 1 65 ARG HG3 1.764 . 2.153 1.885 1.812 1.982 . 0 0 "[ . 1 . 2]" 2
1370 1 33 LYS QE 1 41 GLU HB2 3.603 . 5.225 3.467 2.954 4.803 . 0 0 "[ . 1 . 2]" 2
1371 1 67 ARG QD 1 67 ARG QG 1.836 . 2.258 1.820 1.786 1.856 . 0 0 "[ . 1 . 2]" 2
1372 1 67 ARG QB 1 67 ARG QG 1.708 . 2.073 1.904 1.834 1.984 . 0 0 "[ . 1 . 2]" 2
1373 1 67 ARG HA 1 67 ARG QG 2.025 . 2.538 2.216 1.947 2.503 . 0 0 "[ . 1 . 2]" 2
1374 1 6 GLY QA 1 80 LEU HG 3.242 . 4.556 4.268 3.993 4.565 0.009 5 0 "[ . 1 . 2]" 2
1375 1 80 LEU QB 1 80 LEU QD 1.930 . 2.396 1.869 1.757 1.978 . 0 0 "[ . 1 . 2]" 2
1376 1 79 LEU QB 1 79 LEU QD 1.773 . 2.166 1.916 1.813 2.049 . 0 0 "[ . 1 . 2]" 2
1377 1 26 ARG QD 1 68 LEU QB 2.949 . 4.036 3.544 1.834 4.198 0.162 13 0 "[ . 1 . 2]" 2
1378 1 73 ARG QD 1 77 LYS QD 3.545 . 5.216 4.400 3.386 5.069 . 0 0 "[ . 1 . 2]" 2
1379 1 40 ASP HA 1 44 ALA MB 3.573 . 5.169 5.066 4.922 5.217 0.048 11 0 "[ . 1 . 2]" 2
1380 1 42 SER HA 1 44 ALA MB 3.283 . 4.730 4.889 4.821 4.978 0.248 12 0 "[ . 1 . 2]" 2
1381 1 17 PRO HG2 1 44 ALA MB 2.489 . 3.263 2.782 2.605 2.988 . 0 0 "[ . 1 . 2]" 2
1382 1 26 ARG HA 1 26 ARG QG 2.384 . 3.094 2.760 2.047 3.125 0.031 3 0 "[ . 1 . 2]" 2
1383 1 24 PRO HB2 1 26 ARG QG 3.084 . 4.273 2.926 2.377 3.565 . 0 0 "[ . 1 . 2]" 2
1384 1 48 LEU QD 1 48 LEU HG 2.148 . 2.725 1.872 1.867 1.877 . 0 0 "[ . 1 . 2]" 2
1385 1 1 GLY QA 1 36 ALA MB 3.228 . 4.530 3.301 2.378 3.969 . 0 0 "[ . 1 . 2]" 2
1386 1 33 LYS QE 1 36 ALA MB 3.146 . 6.000 4.813 4.647 5.102 . 0 0 "[ . 1 . 2]" 2
1387 1 48 LEU QB 1 48 LEU QD 2.156 . 2.737 1.902 1.876 1.933 . 0 0 "[ . 1 . 2]" 2
1388 1 7 LYS HG2 1 27 TRP HZ2 3.703 . 5.417 3.775 1.956 5.810 0.393 15 0 "[ . 1 . 2]" 2
1389 1 27 TRP HZ2 1 74 LYS HG2 3.583 . 5.187 4.046 2.655 5.385 0.198 2 0 "[ . 1 . 2]" 2
1390 1 58 SER HA 1 61 THR MG 3.094 . 6.000 5.537 4.986 5.937 . 0 0 "[ . 1 . 2]" 2
1391 1 61 THR HA 1 61 THR MG 1.561 . 1.866 1.878 1.838 1.930 0.064 5 0 "[ . 1 . 2]" 2
1392 1 58 SER HB2 1 61 THR MG 2.817 . 6.000 4.648 4.040 5.296 . 0 0 "[ . 1 . 2]" 2
1393 1 61 THR MG 1 62 GLU QG 3.051 . 6.000 5.577 4.750 6.052 0.052 6 0 "[ . 1 . 2]" 2
1394 1 61 THR MG 1 64 LEU HB2 2.456 . 3.210 3.262 3.218 3.303 0.093 20 0 "[ . 1 . 2]" 2
1395 1 24 PRO HB2 1 26 ARG QG 3.098 . 4.297 2.689 1.911 3.901 . 0 0 "[ . 1 . 2]" 2
1396 1 7 LYS HE3 1 8 THR MG 3.510 . 5.050 4.051 2.054 5.774 0.724 10 2 "[ - . + . 2]" 2
1397 1 17 PRO HG3 1 45 ALA MB 3.267 . 4.601 4.193 3.892 4.292 . 0 0 "[ . 1 . 2]" 2
1398 1 14 PHE HA 1 45 ALA MB 2.847 . 3.860 3.867 3.750 4.018 0.158 3 0 "[ . 1 . 2]" 2
1399 1 14 PHE QB 1 45 ALA MB 2.882 . 3.920 2.656 2.365 2.974 . 0 0 "[ . 1 . 2]" 2
1400 1 28 LEU HB3 1 45 ALA MB 2.345 . 3.233 3.177 3.083 3.332 0.099 9 0 "[ . 1 . 2]" 2
1401 1 33 LYS HB2 1 33 LYS HG2 2.538 . 3.343 2.717 2.129 2.946 . 0 0 "[ . 1 . 2]" 2
1402 1 14 PHE HB3 1 23 VAL MG2 2.285 . 6.000 3.808 3.518 4.337 . 0 0 "[ . 1 . 2]" 2
1403 1 23 VAL MG2 1 34 ASP HB3 2.323 . 2.998 2.236 1.863 2.899 . 0 0 "[ . 1 . 2]" 2
1404 1 7 LYS QB 1 23 VAL MG2 2.949 . 4.136 4.043 3.917 4.225 0.089 18 0 "[ . 1 . 2]" 2
1405 1 15 SER HA 1 23 VAL MG1 2.328 . 3.005 3.054 3.016 3.107 0.102 18 0 "[ . 1 . 2]" 2
1406 1 23 VAL MG1 1 24 PRO HA 3.410 . 4.864 4.362 4.223 4.547 . 0 0 "[ . 1 . 2]" 2
1407 1 17 PRO HD3 1 23 VAL MG1 2.891 . 3.936 3.371 3.051 3.503 . 0 0 "[ . 1 . 2]" 2
1408 1 16 CYS HB3 1 23 VAL MG1 2.991 . 4.110 2.841 2.640 3.178 . 0 0 "[ . 1 . 2]" 2
1409 1 14 PHE HB3 1 23 VAL MG1 2.197 . 2.800 2.338 2.007 2.596 . 0 0 "[ . 1 . 2]" 2
1410 1 23 VAL MG1 1 28 LEU HG 2.902 . 3.955 3.707 3.432 4.083 0.128 2 0 "[ . 1 . 2]" 2
1411 1 14 PHE QD 1 21 VAL MG2 3.446 . 6.000 4.950 4.740 5.334 . 0 0 "[ . 1 . 2]" 2
1412 1 15 SER HA 1 21 VAL MG2 2.632 . 3.498 3.604 3.465 3.767 0.269 3 0 "[ . 1 . 2]" 2
1413 1 26 ARG QD 1 66 VAL MG2 2.622 . 3.481 3.064 2.812 3.221 . 0 0 "[ . 1 . 2]" 2
1414 1 16 CYS HB2 1 21 VAL MG2 2.502 . 3.284 3.152 2.998 3.324 0.040 2 0 "[ . 1 . 2]" 2
1415 1 21 VAL MG2 1 40 ASP HB3 3.278 . 6.000 6.068 5.503 6.526 0.526 5 1 "[ + 1 . 2]" 2
1416 1 26 ARG QG 1 66 VAL MG2 2.493 . 3.270 3.438 3.221 3.705 0.435 12 0 "[ . 1 . 2]" 2
1417 1 14 PHE HZ 1 43 ILE MG 3.339 . 6.000 5.824 5.469 5.988 . 0 0 "[ . 1 . 2]" 2
1418 1 43 ILE MG 1 49 TYR HA 3.205 . 4.889 4.794 2.916 5.205 0.316 1 0 "[ . 1 . 2]" 2
1419 1 33 LYS QE 1 43 ILE MG 3.299 . 6.380 6.396 6.173 6.569 0.189 7 0 "[ . 1 . 2]" 2
1420 1 26 ARG QD 1 66 VAL MG1 2.728 . 3.658 2.041 1.709 3.252 0.089 1 0 "[ . 1 . 2]" 2
1421 1 65 ARG HG3 1 66 VAL MG1 2.428 . 6.000 3.972 3.392 4.398 . 0 0 "[ . 1 . 2]" 2
1422 1 26 ARG QG 1 66 VAL MG1 2.589 . 3.427 2.767 1.766 3.230 . 0 0 "[ . 1 . 2]" 2
1423 1 72 LEU MD2 1 73 ARG QB 2.345 . 3.182 3.268 2.925 3.539 0.357 1 0 "[ . 1 . 2]" 2
1424 1 61 THR HA 1 64 LEU MD2 1.832 . 2.251 1.814 1.688 1.915 . 0 0 "[ . 1 . 2]" 2
1425 1 68 LEU MD2 1 71 HIS HE1 2.891 . 6.000 3.563 3.113 4.287 . 0 0 "[ . 1 . 2]" 2
1426 1 48 LEU QB 1 48 LEU MD2 1.654 . 1.996 1.707 1.692 1.726 . 0 0 "[ . 1 . 2]" 2
1427 1 42 SER HA 1 43 ILE MD 3.267 . 4.701 4.821 4.418 4.964 0.263 6 0 "[ . 1 . 2]" 2
1428 1 43 ILE MD 1 51 SER QB 3.162 . 6.000 5.251 2.937 5.859 . 0 0 "[ . 1 . 2]" 2
1429 1 43 ILE MD 1 47 CYS HB3 3.023 . 4.165 3.857 3.354 4.149 . 0 0 "[ . 1 . 2]" 2
1430 1 64 LEU HA 1 64 LEU MD1 1.695 . 2.054 1.961 1.809 2.142 0.088 1 0 "[ . 1 . 2]" 2
1431 1 62 GLU QG 1 64 LEU MD1 2.937 . 4.115 4.109 3.737 4.183 0.068 9 0 "[ . 1 . 2]" 2
1432 1 62 GLU QB 1 64 LEU MD1 2.631 . 3.496 2.994 2.806 3.183 . 0 0 "[ . 1 . 2]" 2
1433 1 64 LEU MD1 1 67 ARG QD 2.170 . 2.859 2.917 2.596 3.200 0.341 11 0 "[ . 1 . 2]" 2
1434 1 64 LEU MD1 1 64 LEU HG 1.491 . 1.769 1.607 1.574 1.642 . 0 0 "[ . 1 . 2]" 2
1435 1 48 LEU HA 1 48 LEU MD1 1.776 . 2.170 1.930 1.838 2.043 . 0 0 "[ . 1 . 2]" 2
1436 1 14 PHE HA 1 28 LEU MD2 2.747 . 6.000 4.483 4.389 4.632 . 0 0 "[ . 1 . 2]" 2
1437 1 26 ARG HA 1 28 LEU MD2 2.709 . 3.627 3.630 3.497 3.764 0.137 14 0 "[ . 1 . 2]" 2
1438 1 28 LEU MD2 1 40 ASP HA 2.925 . 3.994 3.939 3.773 4.094 0.100 9 0 "[ . 1 . 2]" 2
1439 1 14 PHE QB 1 28 LEU MD2 2.317 . 2.988 2.535 2.398 2.868 . 0 0 "[ . 1 . 2]" 2
1440 1 28 LEU HB2 1 28 LEU MD2 1.993 . 2.489 1.888 1.846 1.953 . 0 0 "[ . 1 . 2]" 2
1441 1 14 PHE HA 1 28 LEU MD1 2.639 . 6.000 3.992 3.760 4.100 . 0 0 "[ . 1 . 2]" 2
1442 1 24 PRO HA 1 28 LEU MD1 2.814 . 3.803 3.774 3.718 3.847 0.044 11 0 "[ . 1 . 2]" 2
1443 1 28 LEU HB2 1 28 LEU MD1 2.061 . 2.592 2.004 1.986 2.040 . 0 0 "[ . 1 . 2]" 2
1444 1 7 LYS QB 1 27 TRP HZ2 4.215 . 6.436 3.997 2.274 4.949 . 0 0 "[ . 1 . 2]" 2
1445 1 14 PHE QB 1 14 PHE QE 3.969 . 5.938 3.930 3.924 3.938 . 0 0 "[ . 1 . 2]" 2
1446 1 23 VAL MG2 1 27 TRP HH2 4.032 . 6.064 4.400 4.100 4.886 . 0 0 "[ . 1 . 2]" 2
1447 1 7 LYS QB 1 27 TRP HH2 4.055 . 6.111 3.942 2.401 4.797 . 0 0 "[ . 1 . 2]" 2
1448 1 14 PHE QD 1 17 PRO HG3 3.716 . 5.442 4.082 3.965 4.180 . 0 0 "[ . 1 . 2]" 2
1449 1 14 PHE QD 1 28 LEU HG 3.667 . 5.348 3.573 3.424 3.905 . 0 0 "[ . 1 . 2]" 2
1450 1 14 PHE QD 1 17 PRO HD2 3.783 . 5.572 2.961 2.584 3.305 . 0 0 "[ . 1 . 2]" 2
1451 1 14 PHE QD 1 17 PRO HD3 4.104 . 6.209 3.711 3.474 3.926 . 0 0 "[ . 1 . 2]" 2
1452 1 14 PHE QD 1 28 LEU HB3 4.130 . 6.262 4.769 4.515 4.980 . 0 0 "[ . 1 . 2]" 2
1453 1 49 TYR QD 1 57 GLY QA 3.783 . 5.572 2.888 2.055 3.590 . 0 0 "[ . 1 . 2]" 2
1454 1 41 GLU HG2 1 49 TYR QD 3.755 . 5.518 5.461 4.905 5.667 0.149 14 0 "[ . 1 . 2]" 2
1455 1 45 ALA MB 1 49 TYR QD 4.185 . 6.374 4.871 3.024 5.823 . 0 0 "[ . 1 . 2]" 2
1456 1 69 ALA MB 1 71 HIS HD2 3.679 . 5.671 4.320 3.578 5.180 . 0 0 "[ . 1 . 2]" 2
1457 1 45 ALA MB 1 49 TYR QE 4.032 . 6.064 5.491 4.328 6.148 0.084 6 0 "[ . 1 . 2]" 2
1458 1 38 GLY HA3 1 42 SER HB3 4.185 . 6.374 5.836 5.644 6.016 . 0 0 "[ . 1 . 2]" 2
1459 1 47 CYS HB3 1 61 THR HB 4.391 . 7.001 6.071 3.333 7.188 0.187 2 0 "[ . 1 . 2]" 2
1460 1 9 CYS HB2 1 24 PRO HA 4.130 . 6.262 5.294 5.051 5.692 . 0 0 "[ . 1 . 2]" 2
1461 1 17 PRO HA 1 19 THR MG 3.844 . 5.691 5.750 5.568 5.906 0.215 3 0 "[ . 1 . 2]" 2
1462 1 8 THR HB 1 9 CYS HB2 3.828 . 6.160 6.223 5.686 6.528 0.368 8 0 "[ . 1 . 2]" 2
1463 1 58 SER HB3 1 65 ARG QD 4.130 . 6.262 5.302 4.847 5.906 . 0 0 "[ . 1 . 2]" 2
1464 1 15 SER HA 1 21 VAL HA 3.844 . 5.691 4.568 4.310 4.663 . 0 0 "[ . 1 . 2]" 2
1465 1 16 CYS HB2 1 21 VAL HA 3.930 . 5.861 4.167 3.908 4.555 . 0 0 "[ . 1 . 2]" 2
1466 1 33 LYS QE 1 42 SER HB2 4.055 . 6.111 5.104 4.648 5.562 . 0 0 "[ . 1 . 2]" 2
1467 1 13 SER QB 1 23 VAL HB 3.969 . 5.938 5.407 5.151 5.610 . 0 0 "[ . 1 . 2]" 2
1468 1 15 SER HB2 1 17 PRO HA 4.246 . 6.500 6.178 5.579 6.622 0.122 11 0 "[ . 1 . 2]" 2
1469 1 20 HIS HB3 1 21 VAL QG 4.032 . 6.064 5.424 5.299 5.500 . 0 0 "[ . 1 . 2]" 2
1470 1 70 SER QB 1 71 HIS QB 3.634 . 5.285 5.000 4.587 5.313 0.028 5 0 "[ . 1 . 2]" 2
1471 1 20 HIS HB2 1 21 VAL QG 4.215 . 6.436 5.149 5.051 5.291 . 0 0 "[ . 1 . 2]" 2
1472 1 23 VAL HA 1 27 TRP HB3 3.783 . 5.572 4.565 4.278 4.985 . 0 0 "[ . 1 . 2]" 2
1473 1 27 TRP HB3 1 34 ASP HB3 3.812 . 5.629 3.538 3.132 4.198 . 0 0 "[ . 1 . 2]" 2
1474 1 7 LYS QD 1 11 PRO HB2 4.279 . 7.218 6.591 5.659 7.717 0.499 17 0 "[ . 1 . 2]" 2
1475 1 16 CYS HB3 1 17 PRO HG3 3.949 . 5.898 5.088 4.908 5.188 . 0 0 "[ . 1 . 2]" 2
1476 1 26 ARG QD 1 66 VAL HB 3.742 . 5.492 3.911 3.600 4.552 . 0 0 "[ . 1 . 2]" 2
1477 1 14 PHE HB2 1 17 PRO HB3 4.351 . 6.718 7.120 6.994 7.203 0.485 8 0 "[ . 1 . 2]" 2
1478 1 14 PHE QB 1 25 GLU HB3 3.930 . 5.861 5.781 5.126 6.022 0.161 12 0 "[ . 1 . 2]" 2
1479 1 9 CYS HA 1 73 ARG QB 3.812 . 6.000 6.164 5.979 6.371 0.371 5 0 "[ . 1 . 2]" 2
1480 1 26 ARG HB3 1 28 LEU MD2 3.969 . 5.938 5.430 4.810 5.989 0.051 17 0 "[ . 1 . 2]" 2
1481 1 14 PHE QB 1 28 LEU HG 3.828 . 5.660 3.824 3.587 4.271 . 0 0 "[ . 1 . 2]" 2
1482 1 28 LEU HA 1 65 ARG HG3 4.185 . 6.374 5.848 5.356 6.394 0.020 20 0 "[ . 1 . 2]" 2
1483 1 25 GLU QG 1 65 ARG HG2 4.157 . 6.317 4.267 3.861 4.689 . 0 0 "[ . 1 . 2]" 2
1484 1 42 SER HA 1 43 ILE HG13 3.783 . 6.100 6.145 5.796 6.276 0.176 6 0 "[ . 1 . 2]" 2
1485 1 14 PHE HB3 1 44 ALA MB 4.079 . 6.159 5.763 5.478 6.016 . 0 0 "[ . 1 . 2]" 2
1486 1 11 PRO QD 1 26 ARG QG 4.157 . 6.317 6.276 5.786 6.575 0.258 16 0 "[ . 1 . 2]" 2
1487 1 28 LEU HA 1 69 ALA MB 3.989 . 6.078 6.134 6.002 6.262 0.184 3 0 "[ . 1 . 2]" 2
1488 1 7 LYS HG2 1 27 TRP HH2 3.844 . 5.691 3.459 2.038 5.139 . 0 0 "[ . 1 . 2]" 2
1489 1 7 LYS HG2 1 73 ARG QD 3.703 . 5.417 4.216 2.792 5.822 0.405 12 0 "[ . 1 . 2]" 2
1490 1 42 SER HA 1 43 ILE HG12 4.279 . 6.568 6.390 6.131 6.544 . 0 0 "[ . 1 . 2]" 2
1491 1 43 ILE HG12 1 47 CYS HB3 4.391 . 6.801 6.310 5.900 6.671 . 0 0 "[ . 1 . 2]" 2
1492 1 24 PRO HB2 1 25 GLU HA 3.894 . 5.789 3.249 2.606 3.990 . 0 0 "[ . 1 . 2]" 2
1493 1 24 PRO HB2 1 27 TRP HE3 4.279 . 6.568 5.079 4.662 5.568 . 0 0 "[ . 1 . 2]" 2
1494 1 8 THR MG 1 27 TRP HH2 3.860 . 6.400 6.438 5.909 6.803 0.403 19 0 "[ . 1 . 2]" 2
1495 1 6 GLY QA 1 24 PRO HG2 4.130 . 6.262 4.038 3.269 4.486 . 0 0 "[ . 1 . 2]" 2
1496 1 23 VAL HB 1 24 PRO HG2 3.844 . 6.000 6.172 5.923 6.325 0.325 13 0 "[ . 1 . 2]" 2
1497 1 23 VAL HB 1 24 PRO HG3 4.215 . 6.436 6.168 6.112 6.238 . 0 0 "[ . 1 . 2]" 2
1498 1 24 PRO HD3 1 27 TRP HH2 3.949 . 5.898 4.175 3.418 4.757 . 0 0 "[ . 1 . 2]" 2
1499 1 60 SER HA 1 62 GLU QB 2.779 . 3.744 3.493 3.158 3.670 . 0 0 "[ . 1 . 2]" 2
1500 1 60 SER HA 1 64 LEU HB2 3.424 . 4.890 4.955 4.733 5.105 0.215 19 0 "[ . 1 . 2]" 2
1501 1 60 SER HA 1 64 LEU QD 3.023 . 4.165 3.346 3.171 3.595 . 0 0 "[ . 1 . 2]" 2
1502 1 58 SER HA 1 58 SER HB2 2.076 . 2.615 2.459 2.216 2.690 0.075 19 0 "[ . 1 . 2]" 2
1503 1 49 TYR QD 1 51 SER HB2 4.351 . 6.718 5.198 3.818 6.075 . 0 0 "[ . 1 . 2]" 2
1504 1 26 ARG QD 1 69 ALA HA 3.545 . 5.116 4.592 4.313 4.958 . 0 0 "[ . 1 . 2]" 2
1505 1 66 VAL HA 1 69 ALA HA 3.461 . 5.259 5.371 5.225 5.506 0.247 4 0 "[ . 1 . 2]" 2
1506 1 26 ARG QD 1 71 HIS HE1 3.798 . 6.001 5.202 2.378 6.393 0.392 17 0 "[ . 1 . 2]" 2
1507 1 26 ARG QD 1 28 LEU MD1 3.755 . 5.518 5.490 4.943 5.801 0.283 17 0 "[ . 1 . 2]" 2
1508 1 21 VAL HB 1 35 CYS HA 3.573 . 5.169 4.501 4.402 4.655 . 0 0 "[ . 1 . 2]" 2
1509 1 16 CYS HA 1 35 CYS HA 4.104 . 6.209 4.775 4.614 5.169 . 0 0 "[ . 1 . 2]" 2
1510 1 32 ASP HA 1 33 LYS HB2 3.812 . 5.629 4.207 3.769 4.390 . 0 0 "[ . 1 . 2]" 2
1511 1 32 ASP HA 1 33 LYS QE 4.433 . 6.889 6.051 4.635 6.381 . 0 0 "[ . 1 . 2]" 2
1512 1 21 VAL MG2 1 22 CYS HA 3.322 . 4.701 3.217 3.100 3.314 . 0 0 "[ . 1 . 2]" 2
1513 1 7 LYS QB 1 22 CYS HA 4.579 . 7.199 5.676 4.862 6.474 . 0 0 "[ . 1 . 2]" 2
1514 1 26 ARG HB2 1 27 TRP HA 3.783 . 5.572 4.562 4.376 4.745 . 0 0 "[ . 1 . 2]" 2
1515 1 26 ARG QG 1 27 TRP HA 3.667 . 5.348 3.733 3.189 5.045 . 0 0 "[ . 1 . 2]" 2
1516 1 8 THR HA 1 9 CYS HB3 3.667 . 5.348 5.158 4.417 5.492 0.144 6 0 "[ . 1 . 2]" 2
1517 1 15 SER HB3 1 17 PRO HA 4.928 . 7.964 5.042 4.539 5.661 . 0 0 "[ . 1 . 2]" 2
1518 1 66 VAL HA 1 66 VAL QG 1.996 . 2.494 2.107 2.054 2.186 . 0 0 "[ . 1 . 2]" 2
1519 1 48 LEU QB 1 58 SER HB2 2.433 . 3.173 2.227 1.801 2.639 . 0 0 "[ . 1 . 2]" 2
1520 1 26 ARG HB2 1 66 VAL HA 2.934 . 4.010 3.414 2.093 3.903 . 0 0 "[ . 1 . 2]" 2
1521 1 12 SER QB 1 66 VAL MG1 3.333 . 4.822 4.815 4.504 5.112 0.290 8 0 "[ . 1 . 2]" 2
1522 1 11 PRO HB3 1 12 SER HA 2.952 . 4.041 3.289 2.826 3.584 . 0 0 "[ . 1 . 2]" 2
1523 1 12 SER HA 1 68 LEU QD 3.656 . 6.000 5.217 4.397 6.013 0.013 4 0 "[ . 1 . 2]" 2
1524 1 6 GLY QA 1 23 VAL HA 4.246 . 6.500 3.992 3.723 4.362 . 0 0 "[ . 1 . 2]" 2
1525 1 13 SER HA 1 23 VAL MG2 3.278 . 4.621 4.168 3.909 4.488 . 0 0 "[ . 1 . 2]" 2
1526 1 39 ALA MB 1 42 SER HA 3.064 . 4.237 4.355 4.314 4.416 0.179 1 0 "[ . 1 . 2]" 2
1527 1 33 LYS HB2 1 34 ASP HA 3.294 . 5.050 4.915 4.729 5.061 0.011 7 0 "[ . 1 . 2]" 2
1528 1 23 VAL HB 1 34 ASP HA 3.603 . 5.225 4.673 4.084 5.564 0.339 9 0 "[ . 1 . 2]" 2
1529 1 2 SER QB 1 34 ASP HA 3.446 . 4.930 2.931 1.933 4.610 0.029 1 0 "[ . 1 . 2]" 2
1530 1 14 PHE HA 1 28 LEU HB2 3.769 . 6.000 6.001 5.824 6.158 0.158 8 0 "[ . 1 . 2]" 2
1531 1 14 PHE HA 1 23 VAL HB 3.613 . 5.245 5.249 4.647 5.416 0.171 10 0 "[ . 1 . 2]" 2
1532 1 13 SER QB 1 14 PHE HA 3.446 . 4.930 3.836 3.638 4.228 . 0 0 "[ . 1 . 2]" 2
1533 1 15 SER HA 1 15 SER QB 2.255 . 2.891 2.386 2.159 2.540 . 0 0 "[ . 1 . 2]" 2
1534 1 20 HIS HA 1 21 VAL QG 3.603 . 5.225 4.451 4.293 4.528 . 0 0 "[ . 1 . 2]" 2
1535 1 25 GLU HA 1 28 LEU HA 3.755 . 5.518 4.129 3.958 4.260 . 0 0 "[ . 1 . 2]" 2
1536 1 28 LEU HA 1 28 LEU HB2 2.639 . 3.509 2.515 2.476 2.551 . 0 0 "[ . 1 . 2]" 2
1537 1 23 VAL MG2 1 28 LEU HA 3.146 . 4.383 3.242 2.984 3.517 . 0 0 "[ . 1 . 2]" 2
1538 1 17 PRO HD2 1 28 LEU HA 4.104 . 6.359 6.457 6.322 6.581 0.222 6 0 "[ . 1 . 2]" 2
1539 1 29 CYS HA 1 41 GLU HG3 3.192 . 4.465 4.230 2.979 4.745 0.280 15 0 "[ . 1 . 2]" 2
1540 1 28 LEU MD2 1 29 CYS HA 3.364 . 6.000 5.356 5.247 5.526 . 0 0 "[ . 1 . 2]" 2
1541 1 28 LEU HA 1 41 GLU HA 2.650 . 3.528 2.984 2.833 3.106 . 0 0 "[ . 1 . 2]" 2
1542 1 33 LYS HA 1 41 GLU HA 3.383 . 4.964 5.068 4.808 5.176 0.212 10 0 "[ . 1 . 2]" 2
1543 1 41 GLU HA 1 41 GLU HG3 2.756 . 3.706 3.090 2.597 3.325 . 0 0 "[ . 1 . 2]" 2
1544 1 33 LYS HG2 1 41 GLU HA 3.257 . 4.583 4.330 4.077 4.618 0.035 11 0 "[ . 1 . 2]" 2
1545 1 14 PHE QD 1 41 GLU HA 3.877 . 5.755 5.648 5.394 6.005 0.250 1 0 "[ . 1 . 2]" 2
1546 1 28 LEU HB3 1 47 CYS HA 3.101 . 4.303 3.421 3.235 3.590 . 0 0 "[ . 1 . 2]" 2
1547 1 46 GLY HA3 1 47 CYS HA 3.029 . 6.000 4.243 4.155 4.346 . 0 0 "[ . 1 . 2]" 2
1548 1 16 CYS HB2 1 17 PRO HD3 3.328 . 4.712 4.457 4.126 4.724 0.012 10 0 "[ . 1 . 2]" 2
1549 1 14 PHE HB3 1 17 PRO HD2 3.358 . 4.767 3.912 3.767 4.051 . 0 0 "[ . 1 . 2]" 2
1550 1 17 PRO HG2 1 44 ALA HA 3.424 . 4.890 4.846 4.695 5.011 0.121 10 0 "[ . 1 . 2]" 2
1551 1 17 PRO HD2 1 40 ASP HA 4.215 . 6.436 4.487 4.036 4.963 . 0 0 "[ . 1 . 2]" 2
1552 1 28 LEU HB3 1 40 ASP HA 3.518 . 5.065 4.457 4.120 4.854 . 0 0 "[ . 1 . 2]" 2
1553 1 47 CYS HB3 1 48 LEU HA 3.769 . 5.545 4.454 4.378 4.818 . 0 0 "[ . 1 . 2]" 2
1554 1 76 ARG QD 1 79 LEU HA 3.742 . 5.492 4.785 3.409 5.684 0.192 6 0 "[ . 1 . 2]" 2
1555 1 36 ALA HA 1 37 ASP HA 3.912 . 5.825 4.447 4.433 4.461 . 0 0 "[ . 1 . 2]" 2
1556 1 33 LYS QE 1 36 ALA HA 3.403 . 6.000 5.209 4.758 5.621 . 0 0 "[ . 1 . 2]" 2
1557 1 35 CYS HB3 1 36 ALA HA 3.798 . 5.601 3.720 3.666 3.757 . 0 0 "[ . 1 . 2]" 2
1558 1 68 LEU HA 1 68 LEU MD2 1.958 . 2.437 1.879 1.781 1.996 . 0 0 "[ . 1 . 2]" 2
1559 1 35 CYS HB3 1 39 ALA HA 3.493 . 5.018 3.982 3.865 4.033 . 0 0 "[ . 1 . 2]" 2
1560 1 71 HIS QB 1 72 LEU HA 3.469 . 4.973 4.289 3.890 4.518 . 0 0 "[ . 1 . 2]" 2
1561 1 72 LEU HA 1 72 LEU QD 2.026 . 2.639 2.756 2.702 2.862 0.223 16 0 "[ . 1 . 2]" 2
1562 1 72 LEU HA 1 72 LEU HB3 2.292 . 2.949 2.395 1.878 2.805 . 0 0 "[ . 1 . 2]" 2
1563 1 75 LEU HA 1 75 LEU QD 2.013 . 2.520 2.313 2.035 2.621 0.101 12 0 "[ . 1 . 2]" 2
1564 1 7 LYS HA 1 24 PRO HD3 3.667 . 5.348 4.788 3.933 5.643 0.295 18 0 "[ . 1 . 2]" 2
1565 1 78 ARG HA 1 78 ARG QB 2.043 . 2.565 2.346 2.162 2.539 . 0 0 "[ . 1 . 2]" 2
1566 1 33 LYS HA 1 33 LYS QD 2.489 . 3.264 2.915 2.770 3.006 . 0 0 "[ . 1 . 2]" 2
1567 1 33 LYS HA 1 33 LYS QE 3.536 . 5.099 4.038 3.890 4.212 . 0 0 "[ . 1 . 2]" 2
1568 1 26 ARG HA 1 28 LEU MD2 3.377 . 4.802 4.841 4.378 5.002 0.200 12 0 "[ . 1 . 2]" 2
1569 1 7 LYS QB 1 11 PRO QD 4.314 . 6.641 5.918 4.536 6.478 . 0 0 "[ . 1 . 2]" 2
1570 1 33 LYS QE 1 38 GLY HA2 3.322 . 4.701 2.927 2.605 3.162 . 0 0 "[ . 1 . 2]" 2
1571 1 43 ILE HG13 1 46 GLY HA2 3.116 . 4.329 3.261 3.032 3.464 . 0 0 "[ . 1 . 2]" 2
1572 1 28 LEU MD2 1 46 GLY HA3 2.970 . 4.072 3.124 2.990 3.263 . 0 0 "[ . 1 . 2]" 2
1573 1 14 PHE HB3 1 23 VAL HB 3.691 . 5.394 4.293 4.104 4.508 . 0 0 "[ . 1 . 2]" 2
1574 1 9 CYS HA 1 22 CYS HB2 3.299 . 4.660 2.809 2.579 3.689 . 0 0 "[ . 1 . 2]" 2
1575 1 30 ASP HB3 1 74 LYS QD 3.592 . 5.205 4.847 4.092 5.653 0.448 20 0 "[ . 1 . 2]" 2
1576 1 47 CYS HB3 1 48 LEU QB 4.055 . 6.111 4.385 4.275 4.492 . 0 0 "[ . 1 . 2]" 2
1577 1 71 HIS QB 1 72 LEU HB2 3.397 . 4.839 3.904 3.434 4.274 . 0 0 "[ . 1 . 2]" 2
1578 1 19 THR HA 1 21 VAL HB 3.345 . 6.000 5.110 4.909 5.176 . 0 0 "[ . 1 . 2]" 2
1579 1 2 SER HB2 1 23 VAL HB 3.294 . 4.650 4.385 4.197 4.638 . 0 0 "[ . 1 . 2]" 2
1580 1 43 ILE MD 1 47 CYS HB2 3.603 . 5.225 4.092 3.883 4.278 . 0 0 "[ . 1 . 2]" 2
1581 1 43 ILE MD 1 47 CYS HB3 3.536 . 5.099 3.658 3.312 3.825 . 0 0 "[ . 1 . 2]" 2
1582 1 29 CYS HB3 1 47 CYS HB2 4.104 . 6.209 4.885 4.689 5.173 . 0 0 "[ . 1 . 2]" 2
1583 1 28 LEU MD2 1 29 CYS HB2 3.769 . 5.545 4.572 4.323 4.865 . 0 0 "[ . 1 . 2]" 2
1584 1 28 LEU HB3 1 29 CYS HB2 4.032 . 6.064 4.158 3.408 4.582 . 0 0 "[ . 1 . 2]" 2
1585 1 28 LEU HB3 1 29 CYS HB3 4.579 . 7.199 4.787 4.646 4.983 . 0 0 "[ . 1 . 2]" 2
1586 1 28 LEU MD2 1 29 CYS HB3 4.433 . 6.889 4.787 4.531 5.220 . 0 0 "[ . 1 . 2]" 2
1587 1 29 CYS HB3 1 30 ASP HA 3.461 . 4.959 4.095 3.926 4.259 . 0 0 "[ . 1 . 2]" 2
1588 1 9 CYS HA 1 24 PRO HB3 3.613 . 5.245 5.043 4.480 5.238 . 0 0 "[ . 1 . 2]" 2
1589 1 16 CYS HB2 1 17 PRO HA 3.860 . 5.722 4.617 4.425 4.730 . 0 0 "[ . 1 . 2]" 2
1590 1 33 LYS HG3 1 41 GLU HG3 3.116 . 4.329 2.349 1.953 2.956 . 0 0 "[ . 1 . 2]" 2
1591 1 5 GLU QG 1 27 TRP HZ3 4.055 . 6.111 4.540 3.555 5.368 . 0 0 "[ . 1 . 2]" 2
1592 1 19 THR MG 1 35 CYS HB3 3.656 . 5.327 4.761 4.587 5.106 . 0 0 "[ . 1 . 2]" 2
1593 1 23 VAL MG2 1 35 CYS HB2 3.755 . 5.518 4.566 4.156 4.904 . 0 0 "[ . 1 . 2]" 2
1594 1 16 CYS HA 1 35 CYS HB2 3.798 . 5.601 4.657 4.267 4.957 . 0 0 "[ . 1 . 2]" 2
1595 1 35 CYS HB3 1 36 ALA HA 3.812 . 5.629 4.150 4.035 4.230 . 0 0 "[ . 1 . 2]" 2
1596 1 42 SER HB3 1 43 ILE HB 3.328 . 4.712 4.385 4.170 4.561 . 0 0 "[ . 1 . 2]" 2
1597 1 48 LEU HA 1 49 TYR HB2 3.844 . 5.691 5.381 3.319 5.990 0.299 2 0 "[ . 1 . 2]" 2
1598 1 49 TYR HB2 1 57 GLY QA 4.391 . 6.801 3.987 2.474 5.567 . 0 0 "[ . 1 . 2]" 2
1599 1 49 TYR HB3 1 57 GLY QA 4.055 . 6.111 3.444 1.980 4.963 0.019 16 0 "[ . 1 . 2]" 2
1600 1 42 SER HB2 1 50 ASN HB2 4.157 . 6.317 4.722 4.157 5.310 . 0 0 "[ . 1 . 2]" 2
1601 1 49 TYR HA 1 50 ASN HB2 4.032 . 6.064 4.318 3.930 4.740 . 0 0 "[ . 1 . 2]" 2
1602 1 12 SER HA 1 25 GLU HB2 3.310 . 4.680 3.233 2.797 3.549 . 0 0 "[ . 1 . 2]" 2
1603 1 25 GLU HA 1 28 LEU HB3 3.310 . 4.680 4.449 4.157 4.670 . 0 0 "[ . 1 . 2]" 2
1604 1 68 LEU MD1 1 71 HIS HE1 2.817 . 3.859 3.484 2.891 4.061 0.202 13 0 "[ . 1 . 2]" 2
1605 1 26 ARG HB2 1 71 HIS HE1 4.579 . 7.199 5.825 3.222 7.137 . 0 0 "[ . 1 . 2]" 2
1606 1 69 ALA MB 1 71 HIS HE1 3.397 . 6.039 4.303 3.441 5.434 . 0 0 "[ . 1 . 2]" 2
1607 1 26 ARG QD 1 71 HIS HE1 4.130 . 6.262 4.115 2.371 4.498 . 0 0 "[ . 1 . 2]" 2
1608 1 14 PHE QE 1 17 PRO HB2 4.478 . 6.984 4.776 4.638 4.946 . 0 0 "[ . 1 . 2]" 2
1609 1 14 PHE HZ 1 16 CYS HB3 4.843 . 7.774 6.365 6.109 6.589 . 0 0 "[ . 1 . 2]" 2
1610 1 14 PHE HB3 1 14 PHE HZ 5.026 . 8.184 5.322 5.257 5.398 . 0 0 "[ . 1 . 2]" 2
1611 1 26 ARG QD 1 27 TRP HD1 3.563 . 5.150 3.239 1.868 3.876 0.108 2 0 "[ . 1 . 2]" 2
1612 1 26 ARG QG 1 27 TRP HD1 3.310 . 4.680 2.525 1.773 3.904 0.167 3 0 "[ . 1 . 2]" 2
1613 1 68 LEU HA 1 71 HIS HD2 3.592 . 5.205 3.904 1.973 5.211 0.006 6 0 "[ . 1 . 2]" 2
1614 1 7 LYS HG3 1 27 TRP HZ2 4.391 . 6.801 4.236 3.237 5.547 . 0 0 "[ . 1 . 2]" 2
1615 1 7 LYS QD 1 27 TRP HZ2 4.279 . 6.568 3.816 2.474 5.521 . 0 0 "[ . 1 . 2]" 2
1616 1 7 LYS QE 1 27 TRP HZ2 5.026 . 8.184 3.889 2.038 6.760 . 0 0 "[ . 1 . 2]" 2
1617 1 24 PRO HD3 1 27 TRP HH2 4.526 . 7.087 4.989 4.418 5.531 . 0 0 "[ . 1 . 2]" 2
1618 1 8 THR HA 1 9 CYS HA 3.716 . 5.442 4.227 3.973 4.516 . 0 0 "[ . 1 . 2]" 2
1619 1 24 PRO HA 1 25 GLU HA 3.656 . 5.327 3.990 3.909 4.053 . 0 0 "[ . 1 . 2]" 2
1620 1 8 THR MG 1 11 PRO QD 2.520 . 3.314 2.835 2.068 3.202 . 0 0 "[ . 1 . 2]" 2
1621 1 14 PHE QD 1 23 VAL MG2 2.488 . 3.362 3.499 3.378 3.631 0.269 13 0 "[ . 1 . 2]" 2
1622 1 71 HIS HA 1 71 HIS QB 2.016 . 2.524 2.174 2.145 2.187 . 0 0 "[ . 1 . 2]" 2
1623 1 23 VAL HA 1 27 TRP HE3 4.928 . 7.964 3.602 3.201 3.998 . 0 0 "[ . 1 . 2]" 2
1624 1 7 LYS QD 1 7 LYS HE2 1.897 . 2.347 1.928 1.879 1.984 . 0 0 "[ . 1 . 2]" 2
1625 1 7 LYS QB 1 7 LYS HE2 2.465 . 3.224 2.965 1.871 3.696 0.472 15 0 "[ . 1 . 2]" 2
1626 1 33 LYS QE 1 41 GLU HA 3.812 . 6.129 5.017 4.527 6.573 0.444 7 0 "[ . 1 . 2]" 2
1627 1 17 PRO HB3 1 37 ASP HB2 4.391 . 6.801 5.793 5.016 6.661 . 0 0 "[ . 1 . 2]" 2
1628 1 36 ALA HA 1 37 ASP HB2 4.351 . 6.718 4.723 4.403 4.908 . 0 0 "[ . 1 . 2]" 2
1629 1 17 PRO HD2 1 40 ASP HB2 4.246 . 6.500 5.548 4.907 6.083 . 0 0 "[ . 1 . 2]" 2
1630 1 39 ALA MB 1 40 ASP HB3 3.989 . 5.978 3.959 2.630 4.554 . 0 0 "[ . 1 . 2]" 2
1631 1 28 LEU HB2 1 40 ASP HB2 3.812 . 5.629 3.943 3.253 5.423 . 0 0 "[ . 1 . 2]" 2
1632 1 23 VAL QG 1 40 ASP HB2 3.305 . 4.670 2.176 1.696 2.879 0.244 8 0 "[ . 1 . 2]" 2
1633 1 70 SER HA 1 74 LYS HE2 3.755 . 5.518 3.809 1.978 4.623 0.014 6 0 "[ . 1 . 2]" 2
1634 1 8 THR HA 1 9 CYS HB2 4.032 . 6.064 4.970 4.242 5.335 . 0 0 "[ . 1 . 2]" 2
1635 1 8 THR HA 1 9 CYS HB3 4.215 . 6.436 5.251 4.605 5.646 . 0 0 "[ . 1 . 2]" 2
1636 1 16 CYS HA 1 21 VAL MG1 2.433 . 6.000 3.497 3.429 3.570 . 0 0 "[ . 1 . 2]" 2
1637 1 21 VAL QG 1 35 CYS HA 3.233 . 4.539 3.569 3.339 3.916 . 0 0 "[ . 1 . 2]" 2
1638 1 21 VAL HA 1 21 VAL QG 1.957 . 2.436 2.275 2.196 2.364 . 0 0 "[ . 1 . 2]" 2
1639 1 21 VAL HB 1 21 VAL QG 1.893 . 2.341 1.872 1.858 1.890 . 0 0 "[ . 1 . 2]" 2
1640 1 8 THR MG 1 23 VAL HB 3.623 . 5.864 5.580 5.476 5.735 . 0 0 "[ . 1 . 2]" 2
1641 1 7 LYS QB 1 8 THR MG 3.493 . 5.018 3.333 2.399 4.179 . 0 0 "[ . 1 . 2]" 2
1642 1 8 THR MG 1 11 PRO HB3 2.794 . 6.000 4.344 3.963 4.509 . 0 0 "[ . 1 . 2]" 2
1643 1 26 ARG QD 1 66 VAL HA 3.175 . 4.435 3.715 2.681 4.600 0.165 5 0 "[ . 1 . 2]" 2
1644 1 7 LYS QB 1 27 TRP HZ2 3.554 . 5.133 3.921 2.277 4.766 . 0 0 "[ . 1 . 2]" 2
1645 1 7 LYS QB 1 27 TRP HZ2 3.860 . 5.722 4.322 2.277 5.506 . 0 0 "[ . 1 . 2]" 2
1646 1 27 TRP HZ2 1 74 LYS QB 3.691 . 5.394 4.551 3.121 5.312 . 0 0 "[ . 1 . 2]" 2
1647 1 30 ASP HB3 1 55 GLY QA 3.087 . 6.300 6.298 5.568 6.658 0.358 20 0 "[ . 1 . 2]" 2
1648 1 49 TYR QE 1 53 GLY QA 4.478 . 6.984 3.829 2.369 5.305 . 0 0 "[ . 1 . 2]" 2
1649 1 6 GLY QA 1 27 TRP HZ2 4.843 . 7.774 5.864 4.318 6.199 . 0 0 "[ . 1 . 2]" 2
1650 1 23 VAL MG2 1 27 TRP HZ3 4.215 . 6.436 3.953 3.583 4.446 . 0 0 "[ . 1 . 2]" 2
1651 1 24 PRO HD2 1 27 TRP HH2 4.843 . 7.774 3.322 1.888 5.097 0.024 16 0 "[ . 1 . 2]" 2
1652 1 28 LEU HB3 1 47 CYS HB3 4.010 . 6.020 4.670 4.474 4.915 . 0 0 "[ . 1 . 2]" 2
1653 1 5 GLU HA 1 23 VAL HB 3.860 . 6.000 6.195 5.937 6.443 0.443 12 0 "[ . 1 . 2]" 2
1654 1 7 LYS QB 1 73 ARG QD 3.716 . 5.442 4.166 2.691 5.110 . 0 0 "[ . 1 . 2]" 2
1655 1 7 LYS QB 1 9 CYS HA 4.079 . 6.020 4.053 3.314 5.276 . 0 0 "[ . 1 . 2]" 2
1656 1 7 LYS QB 1 73 ARG QD 3.257 . 4.583 3.147 1.815 4.526 0.116 2 0 "[ . 1 . 2]" 2
1657 1 7 LYS QB 1 7 LYS QE 3.233 . 4.539 2.954 1.791 3.807 0.136 4 0 "[ . 1 . 2]" 2
1658 1 7 LYS QB 1 7 LYS QG 2.271 . 2.915 2.012 1.962 2.082 . 0 0 "[ . 1 . 2]" 2
1659 1 24 PRO HA 1 27 TRP HE3 4.314 . 6.641 6.349 6.040 6.695 0.054 19 0 "[ . 1 . 2]" 2
1660 1 11 PRO HA 1 28 LEU MD2 4.526 . 7.087 6.278 5.583 7.106 0.019 20 0 "[ . 1 . 2]" 2
1661 1 2 SER HB2 1 16 CYS HB2 3.461 . 5.159 5.038 3.326 5.557 0.398 12 0 "[ . 1 . 2]" 2
1662 1 35 CYS HB2 1 36 ALA HA 4.055 . 6.111 4.242 4.127 4.651 . 0 0 "[ . 1 . 2]" 2
1663 1 17 PRO HG3 1 35 CYS HB3 4.526 . 7.087 5.392 5.098 5.968 . 0 0 "[ . 1 . 2]" 2
1664 1 17 PRO HB2 1 35 CYS HB2 4.579 . 7.199 5.045 4.689 5.459 . 0 0 "[ . 1 . 2]" 2
1665 1 41 GLU HG3 1 42 SER HB3 4.314 . 6.641 5.746 5.355 6.059 . 0 0 "[ . 1 . 2]" 2
1666 1 16 CYS HA 1 38 GLY HA2 4.246 . 6.500 5.704 5.582 5.783 . 0 0 "[ . 1 . 2]" 2
1667 1 6 GLY QA 1 7 LYS HG2 3.383 . 5.214 4.490 3.438 5.749 0.535 16 1 "[ . 1 .+ 2]" 2
1668 1 30 ASP HB2 1 31 GLY HA3 4.526 . 7.087 4.341 4.065 4.674 . 0 0 "[ . 1 . 2]" 2
1669 1 28 LEU HB2 1 31 GLY HA3 4.526 . 7.087 6.660 6.351 6.942 . 0 0 "[ . 1 . 2]" 2
1670 1 30 ASP HB2 1 31 GLY HA2 4.351 . 6.718 4.933 4.588 5.403 . 0 0 "[ . 1 . 2]" 2
1671 1 31 GLY HA2 1 33 LYS HG3 3.783 . 7.172 6.071 5.001 6.465 . 0 0 "[ . 1 . 2]" 2
1672 1 31 GLY HA2 1 33 LYS HB2 4.246 . 6.900 5.841 5.364 6.213 . 0 0 "[ . 1 . 2]" 2
1673 1 28 LEU HB2 1 46 GLY HA2 4.157 . 6.317 5.457 5.272 5.603 . 0 0 "[ . 1 . 2]" 2
1674 1 7 LYS HE3 1 11 PRO QD 4.478 . 6.984 6.762 5.480 7.259 0.275 10 0 "[ . 1 . 2]" 2
1675 1 6 GLY QA 1 24 PRO HD3 4.579 . 7.299 4.070 3.680 4.638 . 0 0 "[ . 1 . 2]" 2
1676 1 28 LEU HG 1 45 ALA HA 3.223 . 4.522 4.191 3.952 4.384 . 0 0 "[ . 1 . 2]" 2
1677 1 14 PHE QB 1 45 ALA HA 3.592 . 5.205 3.679 3.330 4.117 . 0 0 "[ . 1 . 2]" 2
1678 1 2 SER HB3 1 32 ASP HA 4.526 . 7.087 6.761 5.029 7.790 0.703 10 2 "[ . +- . 2]" 2
1679 1 34 ASP HB3 1 35 CYS HA 4.391 . 6.801 3.980 3.694 4.564 . 0 0 "[ . 1 . 2]" 2
1680 1 16 CYS HA 1 19 THR MG 3.493 . 5.018 4.356 4.145 4.498 . 0 0 "[ . 1 . 2]" 2
1681 1 19 THR MG 1 37 ASP HA 4.246 . 6.500 5.629 5.517 5.761 . 0 0 "[ . 1 . 2]" 2
1682 1 38 GLY HA2 1 41 GLU HA 3.949 . 5.898 5.149 5.048 5.264 . 0 0 "[ . 1 . 2]" 2
1683 1 17 PRO HG3 1 40 ASP HA 4.185 . 6.374 5.009 4.877 5.157 . 0 0 "[ . 1 . 2]" 2
1684 1 16 CYS HA 1 40 ASP HA 4.314 . 6.641 4.354 4.221 4.473 . 0 0 "[ . 1 . 2]" 2
1685 1 38 GLY HA2 1 40 ASP HA 4.246 . 6.500 4.614 4.550 4.642 . 0 0 "[ . 1 . 2]" 2
1686 1 14 PHE HB3 1 40 ASP HA 3.554 . 5.133 3.929 3.780 4.055 . 0 0 "[ . 1 . 2]" 2
1687 1 23 VAL HB 1 28 LEU HA 3.912 . 5.825 5.302 5.186 5.463 . 0 0 "[ . 1 . 2]" 2
1688 1 5 GLU HA 1 7 LYS QE 3.439 . 4.917 4.050 3.003 5.201 0.284 4 0 "[ . 1 . 2]" 2
1689 1 42 SER HB2 1 48 LEU HA 3.536 . 5.099 4.940 4.238 5.363 0.264 5 0 "[ . 1 . 2]" 2
1690 1 15 SER HA 1 17 PRO HB2 3.969 . 5.938 5.365 5.225 5.563 . 0 0 "[ . 1 . 2]" 2
1691 1 15 SER HA 1 21 VAL QG 3.742 . 5.492 4.513 4.393 4.661 . 0 0 "[ . 1 . 2]" 2
1692 1 14 PHE HB3 1 15 SER HA 2.959 . 4.054 2.721 1.937 3.400 . 0 0 "[ . 1 . 2]" 2
1693 1 64 LEU HA 1 64 LEU MD1 2.066 . 2.599 2.062 1.908 2.177 . 0 0 "[ . 1 . 2]" 2
1694 1 64 LEU HA 1 64 LEU QB 2.087 . 2.631 2.165 1.830 2.346 . 0 0 "[ . 1 . 2]" 2
1695 1 63 GLU QG 1 64 LEU HA 3.603 . 5.505 5.504 5.376 5.590 0.085 1 0 "[ . 1 . 2]" 2
1696 1 42 SER HA 1 43 ILE HG12 3.667 . 5.348 5.165 4.950 5.314 . 0 0 "[ . 1 . 2]" 2
1697 1 38 GLY HA3 1 42 SER HA 3.798 . 6.200 5.813 5.573 6.070 . 0 0 "[ . 1 . 2]" 2
1698 1 9 CYS HB3 1 13 SER HA 3.536 . 5.099 4.503 3.693 4.924 . 0 0 "[ . 1 . 2]" 2
1699 1 13 SER HA 1 14 PHE QB 3.339 . 4.733 3.926 3.879 3.984 . 0 0 "[ . 1 . 2]" 2
1700 1 9 CYS HB2 1 13 SER HA 3.783 . 5.572 5.487 5.110 5.924 0.352 10 0 "[ . 1 . 2]" 2
1701 1 23 VAL MG2 1 26 ARG HA 3.828 . 5.660 4.910 4.754 5.069 . 0 0 "[ . 1 . 2]" 2
1702 1 11 PRO QD 1 73 ARG HA 4.526 . 7.087 6.542 5.698 7.207 0.120 5 0 "[ . 1 . 2]" 2
1703 1 27 TRP HD1 1 73 ARG HA 4.433 . 6.889 5.552 5.110 6.191 . 0 0 "[ . 1 . 2]" 2
1704 1 49 TYR QD 1 51 SER HA 3.518 . 5.065 4.438 3.163 5.121 0.056 13 0 "[ . 1 . 2]" 2
1705 1 5 GLU HA 1 27 TRP HH2 4.010 . 6.020 5.074 3.800 6.098 0.078 14 0 "[ . 1 . 2]" 2
1706 1 21 VAL HB 1 36 ALA MB 3.912 . 5.825 4.528 4.248 4.709 . 0 0 "[ . 1 . 2]" 2
1707 1 26 ARG HB3 1 69 ALA MB 3.094 . 4.291 2.334 1.775 3.018 0.122 3 0 "[ . 1 . 2]" 2
1708 1 19 THR MG 1 21 VAL QG 2.495 . 3.273 2.912 2.789 3.058 . 0 0 "[ . 1 . 2]" 2
1709 1 21 VAL QG 1 22 CYS HA 3.592 . 5.205 3.358 3.257 3.483 . 0 0 "[ . 1 . 2]" 2
1710 1 24 PRO HD3 1 28 LEU MD1 3.073 . 6.000 4.708 4.394 5.019 . 0 0 "[ . 1 . 2]" 2
1711 1 48 LEU QB 1 48 LEU MD1 1.660 . 2.004 2.010 1.998 2.018 0.014 16 0 "[ . 1 . 2]" 2
1712 1 47 CYS HB3 1 48 LEU MD1 3.322 . 6.000 4.716 4.578 4.950 . 0 0 "[ . 1 . 2]" 2
1713 1 43 ILE HB 1 48 LEU MD1 2.794 . 6.000 4.562 4.191 4.746 . 0 0 "[ . 1 . 2]" 2
1714 1 71 HIS HD2 1 72 LEU MD1 2.459 . 6.000 5.256 4.716 5.850 . 0 0 "[ . 1 . 2]" 2
1715 1 72 LEU HB2 1 72 LEU MD1 1.747 . 2.128 1.886 1.812 1.903 . 0 0 "[ . 1 . 2]" 2
1716 1 6 GLY QA 1 80 LEU MD1 2.633 . 3.500 2.718 2.173 3.186 . 0 0 "[ . 1 . 2]" 2
1717 1 64 LEU MD2 1 65 ARG QD 2.250 . 6.000 3.450 2.472 4.825 . 0 0 "[ . 1 . 2]" 2
1718 1 26 ARG QD 1 74 LYS HG2 3.563 . 5.150 3.476 1.841 4.569 0.135 2 0 "[ . 1 . 2]" 2
1719 1 6 GLY QA 1 24 PRO HG3 4.526 . 7.087 4.899 4.478 5.303 . 0 0 "[ . 1 . 2]" 2
1720 1 24 PRO HG3 1 27 TRP HE3 4.351 . 6.718 4.614 3.597 5.131 . 0 0 "[ . 1 . 2]" 2
1721 1 11 PRO QG 1 69 ALA MB 4.433 . 6.889 5.599 4.632 6.829 . 0 0 "[ . 1 . 2]" 2
1722 1 14 PHE QB 1 17 PRO HG3 4.433 . 6.889 5.581 5.430 5.665 . 0 0 "[ . 1 . 2]" 2
1723 1 14 PHE HB2 1 17 PRO HG2 4.698 . 7.457 6.560 6.428 6.638 . 0 0 "[ . 1 . 2]" 2
1724 1 48 LEU MD2 1 65 ARG HG3 2.246 . 3.177 2.640 2.151 3.422 0.245 5 0 "[ . 1 . 2]" 2
1725 1 23 VAL MG2 1 26 ARG HB3 4.010 . 6.420 4.706 3.618 5.674 . 0 0 "[ . 1 . 2]" 2
1726 1 26 ARG QD 1 74 LYS HD2 3.656 . 5.327 4.061 3.353 4.753 . 0 0 "[ . 1 . 2]" 2
1727 1 76 ARG HB2 1 76 ARG QD 2.241 . 2.869 2.230 1.903 3.035 0.166 5 0 "[ . 1 . 2]" 2
1728 1 33 LYS HB3 1 33 LYS QD 1.790 . 2.190 1.984 1.885 2.161 . 0 0 "[ . 1 . 2]" 2
1729 1 72 LEU QD 1 76 ARG HB2 2.681 . 3.580 2.640 2.126 3.056 . 0 0 "[ . 1 . 2]" 2
1730 1 33 LYS HA 1 33 LYS HB3 2.248 . 2.880 2.312 2.107 2.410 . 0 0 "[ . 1 . 2]" 2
1731 1 8 THR MG 1 11 PRO HB2 4.246 . 6.500 4.894 3.984 6.130 . 0 0 "[ . 1 . 2]" 2
1732 1 24 PRO HB3 1 25 GLU HA 3.554 . 5.133 4.499 4.113 4.859 . 0 0 "[ . 1 . 2]" 2
1733 1 17 PRO HG2 1 23 VAL HB 3.989 . 6.178 6.292 6.193 6.464 0.286 9 0 "[ . 1 . 2]" 2
1734 1 28 LEU HB2 1 29 CYS HB2 4.279 . 6.568 4.781 4.498 5.015 . 0 0 "[ . 1 . 2]" 2
1735 1 29 CYS HB2 1 31 GLY HA2 4.314 . 6.641 4.372 3.667 5.496 . 0 0 "[ . 1 . 2]" 2
1736 1 29 CYS HB3 1 31 GLY HA2 4.433 . 6.889 4.581 4.124 5.299 . 0 0 "[ . 1 . 2]" 2
1737 1 33 LYS QE 1 41 GLU HG2 4.314 . 6.641 4.494 3.499 5.304 . 0 0 "[ . 1 . 2]" 2
1738 1 49 TYR HA 1 50 ASN HB3 3.667 . 5.348 4.011 3.644 4.670 . 0 0 "[ . 1 . 2]" 2
1739 1 43 ILE HG13 1 50 ASN HB2 4.314 . 6.641 5.104 4.594 5.810 . 0 0 "[ . 1 . 2]" 2
1740 1 45 ALA MB 1 50 ASN HB3 4.635 . 7.321 5.995 4.887 6.918 . 0 0 "[ . 1 . 2]" 2
1741 1 45 ALA MB 1 50 ASN HB2 4.635 . 7.321 6.034 5.539 6.651 . 0 0 "[ . 1 . 2]" 2
1742 1 44 ALA HA 1 50 ASN HB2 4.478 . 6.984 6.171 5.514 6.680 . 0 0 "[ . 1 . 2]" 2
1743 1 26 ARG HA 1 28 LEU HB3 4.246 . 6.500 5.388 5.149 5.499 . 0 0 "[ . 1 . 2]" 2
1744 1 28 LEU HB2 1 34 ASP HB3 4.130 . 6.262 6.068 5.091 6.493 0.231 1 0 "[ . 1 . 2]" 2
1745 1 28 LEU HB2 1 30 ASP HB3 4.032 . 6.064 4.626 3.957 5.075 . 0 0 "[ . 1 . 2]" 2
1746 1 14 PHE HB3 1 28 LEU HB2 4.032 . 6.064 5.076 4.588 5.256 . 0 0 "[ . 1 . 2]" 2
1747 1 14 PHE HB3 1 28 LEU HB3 4.055 . 6.111 4.712 4.496 5.096 . 0 0 "[ . 1 . 2]" 2
1748 1 17 PRO HG2 1 37 ASP HB3 4.526 . 7.087 6.230 5.403 6.644 . 0 0 "[ . 1 . 2]" 2
1749 1 77 LYS QB 1 77 LYS QE 3.060 . 4.231 3.214 1.881 3.843 0.008 20 0 "[ . 1 . 2]" 2
1750 1 26 ARG HA 1 74 LYS HE3 3.812 . 5.629 5.012 4.297 5.698 0.069 5 0 "[ . 1 . 2]" 2
1751 1 26 ARG HB3 1 30 ASP HB3 4.157 . 6.317 5.444 4.459 6.536 0.219 10 0 "[ . 1 . 2]" 2
1752 1 26 ARG HA 1 30 ASP HB3 4.279 . 6.568 4.872 4.550 5.334 . 0 0 "[ . 1 . 2]" 2
1753 1 30 ASP HB3 1 66 VAL HA 4.215 . 6.436 6.032 5.107 7.136 0.700 10 1 "[ . + . 2]" 2
1754 1 27 TRP HB2 1 30 ASP HB2 4.391 . 6.801 5.814 5.452 6.267 . 0 0 "[ . 1 . 2]" 2
1755 1 26 ARG HB3 1 30 ASP HB2 4.157 . 6.317 5.194 4.657 5.887 . 0 0 "[ . 1 . 2]" 2
1756 1 63 GLU QG 1 64 LEU HB2 4.010 . 6.020 5.469 5.242 5.623 . 0 0 "[ . 1 . 2]" 2
1757 1 11 PRO HB2 1 72 LEU HB3 4.079 . 6.159 5.596 4.640 6.173 0.014 9 0 "[ . 1 . 2]" 2
1758 1 64 LEU HA 1 64 LEU HB3 2.161 . 2.745 2.545 2.525 2.566 . 0 0 "[ . 1 . 2]" 2
1759 1 43 ILE HB 1 48 LEU QB 3.912 . 5.825 5.704 5.573 5.896 0.071 20 0 "[ . 1 . 2]" 2
1760 1 14 PHE HB2 1 25 GLU QG 3.783 . 5.572 3.483 3.139 3.879 . 0 0 "[ . 1 . 2]" 2
1761 1 14 PHE HB3 1 28 LEU HB2 4.104 . 6.209 4.015 3.773 4.490 . 0 0 "[ . 1 . 2]" 2
1762 1 14 PHE QD 1 21 VAL MG1 3.742 . 6.000 6.079 5.925 6.187 0.187 4 0 "[ . 1 . 2]" 2
1763 1 20 HIS HD2 1 21 VAL QG 3.469 . 4.973 4.970 4.090 5.205 0.232 8 0 "[ . 1 . 2]" 2
1764 1 23 VAL MG2 1 25 GLU HA 3.247 . 4.565 3.907 3.790 4.071 . 0 0 "[ . 1 . 2]" 2
1765 1 25 GLU HA 1 26 ARG QG 3.094 . 4.291 3.952 3.755 4.246 . 0 0 "[ . 1 . 2]" 2
1766 1 7 LYS HG2 1 9 CYS HA 4.279 . 6.568 5.143 4.019 6.186 . 0 0 "[ . 1 . 2]" 2
1767 1 7 LYS HG3 1 9 CYS HA 4.215 . 6.436 4.675 2.691 6.756 0.320 19 0 "[ . 1 . 2]" 2
1768 1 20 HIS HE1 1 21 VAL QG 3.510 . 5.050 4.882 4.692 5.208 0.158 8 0 "[ . 1 . 2]" 2
1769 1 76 ARG HA 1 76 ARG HG2 1.919 . 2.879 2.296 1.921 2.494 . 0 0 "[ . 1 . 2]" 2
1770 1 7 LYS HE3 1 27 TRP HE3 4.279 . 6.568 5.727 3.819 7.013 0.445 8 0 "[ . 1 . 2]" 2
1771 1 12 SER QB 1 71 HIS HD2 4.766 . 7.606 5.951 4.483 7.219 . 0 0 "[ . 1 . 2]" 2
1772 1 14 PHE HB3 1 23 VAL H 2.998 . 4.121 3.311 2.970 3.499 . 0 0 "[ . 1 . 2]" 2
1773 1 27 TRP HE3 1 34 ASP H 3.535 . 6.500 5.515 5.290 5.888 . 0 0 "[ . 1 . 2]" 2
1774 1 27 TRP H 1 27 TRP HE1 3.052 . 6.500 4.568 4.338 4.849 . 0 0 "[ . 1 . 2]" 2
1775 1 29 CYS HB2 1 31 GLY H 3.903 . 5.807 3.761 3.360 4.086 . 0 0 "[ . 1 . 2]" 2
1776 1 29 CYS H 1 32 ASP H 3.106 . 6.500 5.887 5.640 6.047 . 0 0 "[ . 1 . 2]" 2
1777 1 29 CYS H 1 42 SER H 3.098 . 6.500 6.414 6.249 6.552 0.052 9 0 "[ . 1 . 2]" 2
1778 1 42 SER H 1 43 ILE H 3.082 . 4.269 3.746 3.690 3.783 . 0 0 "[ . 1 . 2]" 2
1779 1 61 THR HA 1 62 GLU H 3.031 . 4.179 2.724 2.520 2.852 . 0 0 "[ . 1 . 2]" 2
1780 1 62 GLU H 1 62 GLU QG 3.515 . 5.059 3.690 3.200 3.876 . 0 0 "[ . 1 . 2]" 2
1781 1 38 GLY HA2 1 40 ASP H 3.218 . 4.512 3.074 2.983 3.153 . 0 0 "[ . 1 . 2]" 2
1782 1 35 CYS HB3 1 40 ASP H 2.746 . 3.689 2.695 2.567 2.760 . 0 0 "[ . 1 . 2]" 2
1783 1 16 CYS HB2 1 40 ASP H 2.732 . 6.500 4.962 4.479 6.128 . 0 0 "[ . 1 . 2]" 2
1784 1 34 ASP HB3 1 35 CYS H 2.736 . 3.671 3.227 2.479 3.636 . 0 0 "[ . 1 . 2]" 2
1785 1 33 LYS HB3 1 35 CYS H 2.955 . 4.096 3.686 3.383 3.844 . 0 0 "[ . 1 . 2]" 2
1786 1 25 GLU HA 1 27 TRP H 2.932 . 4.007 2.436 2.302 2.546 . 0 0 "[ . 1 . 2]" 2
1787 1 26 ARG HB2 1 27 TRP H 2.764 . 3.719 3.737 3.302 3.868 0.149 14 0 "[ . 1 . 2]" 2
1788 1 25 GLU HB3 1 26 ARG H 2.500 . 3.281 2.483 2.066 2.802 . 0 0 "[ . 1 . 2]" 2
1789 1 25 GLU HA 1 28 LEU H 3.285 . 4.634 3.128 2.681 3.480 . 0 0 "[ . 1 . 2]" 2
1790 1 23 VAL MG2 1 28 LEU H 3.228 . 4.531 3.710 3.373 4.233 . 0 0 "[ . 1 . 2]" 2
1791 1 14 PHE H 1 28 LEU H 3.793 . 6.500 6.365 5.857 6.617 0.117 7 0 "[ . 1 . 2]" 2
1792 1 27 TRP HE3 1 28 LEU H 3.600 . 6.500 6.335 5.953 6.567 0.067 16 0 "[ . 1 . 2]" 2
1793 1 11 PRO QG 1 13 SER H 3.556 . 5.236 5.120 4.523 5.545 0.309 1 0 "[ . 1 . 2]" 2
1794 1 29 CYS H 1 41 GLU H 3.410 . 6.500 6.052 5.960 6.183 . 0 0 "[ . 1 . 2]" 2
1795 1 35 CYS H 1 41 GLU H 3.168 . 4.422 4.219 4.060 4.418 . 0 0 "[ . 1 . 2]" 2
1796 1 33 LYS HG2 1 41 GLU H 3.337 . 4.729 3.668 3.240 3.856 . 0 0 "[ . 1 . 2]" 2
1797 1 41 GLU HG3 1 42 SER H 2.916 . 3.979 4.101 3.834 4.365 0.386 2 0 "[ . 1 . 2]" 2
1798 1 17 PRO HG2 1 42 SER H 2.991 . 6.500 4.377 3.531 4.857 . 0 0 "[ . 1 . 2]" 2
1799 1 28 LEU HB3 1 47 CYS H 3.410 . 4.863 3.752 3.618 3.885 . 0 0 "[ . 1 . 2]" 2
1800 1 41 GLU H 1 45 ALA H 3.114 . 6.500 5.811 5.597 6.182 . 0 0 "[ . 1 . 2]" 2
1801 1 44 ALA HA 1 45 ALA H 2.292 . 2.949 2.775 2.767 2.784 . 0 0 "[ . 1 . 2]" 2
1802 1 40 ASP HA 1 45 ALA H 3.059 . 4.229 4.151 3.988 4.280 0.051 5 0 "[ . 1 . 2]" 2
1803 1 26 ARG QG 1 74 LYS H 2.798 . 3.776 2.650 2.239 2.990 . 0 0 "[ . 1 . 2]" 2
1804 1 64 LEU HA 1 65 ARG H 2.657 . 3.539 2.733 2.660 2.787 . 0 0 "[ . 1 . 2]" 2
1805 1 64 LEU HB3 1 65 ARG H 2.627 . 3.490 2.615 2.204 3.041 . 0 0 "[ . 1 . 2]" 2
1806 1 47 CYS HB3 1 49 TYR H 2.991 . 4.109 2.823 2.533 3.255 . 0 0 "[ . 1 . 2]" 2
1807 1 62 GLU HA 1 63 GLU H 2.484 . 3.255 2.740 2.688 2.783 . 0 0 "[ . 1 . 2]" 2
1808 1 14 PHE H 1 15 SER H 2.657 . 6.500 3.867 3.659 4.068 . 0 0 "[ . 1 . 2]" 2
1809 1 15 SER H 1 21 VAL QG 3.350 . 6.500 6.498 6.386 6.630 0.130 14 0 "[ . 1 . 2]" 2
1810 1 63 GLU HA 1 64 LEU H 2.365 . 3.064 2.667 2.629 2.693 . 0 0 "[ . 1 . 2]" 2
1811 1 64 LEU H 1 64 LEU HB3 2.226 . 2.845 2.840 2.435 3.179 0.334 20 0 "[ . 1 . 2]" 2
1812 1 24 PRO HB3 1 25 GLU H 2.442 . 3.187 2.068 2.040 2.107 . 0 0 "[ . 1 . 2]" 2
1813 1 29 CYS HB2 1 48 LEU H 3.168 . 6.500 5.505 5.410 5.992 . 0 0 "[ . 1 . 2]" 2
1814 1 43 ILE HG13 1 48 LEU H 2.389 . 6.500 3.562 3.269 3.914 . 0 0 "[ . 1 . 2]" 2
1815 1 36 ALA HA 1 38 GLY H 2.431 . 6.600 4.082 3.968 4.217 . 0 0 "[ . 1 . 2]" 2
1816 1 45 ALA H 1 46 GLY H 1.861 . 2.294 1.887 1.846 1.937 . 0 0 "[ . 1 . 2]" 2
1817 1 45 ALA HA 1 46 GLY H 2.189 . 2.788 2.792 2.780 2.798 0.010 2 0 "[ . 1 . 2]" 2
1818 1 65 ARG H 1 66 VAL H 2.454 . 3.207 2.240 2.055 2.525 . 0 0 "[ . 1 . 2]" 2
1819 1 63 GLU HA 1 66 VAL H 2.393 . 3.109 3.051 2.859 3.209 0.100 2 0 "[ . 1 . 2]" 2
1820 1 12 SER QB 1 66 VAL H 2.518 . 6.500 6.037 5.613 6.522 0.022 17 0 "[ . 1 . 2]" 2
1821 1 65 ARG QB 1 66 VAL H 2.482 . 3.252 3.314 3.188 3.404 0.152 15 0 "[ . 1 . 2]" 2
1822 1 26 ARG HA 1 69 ALA H 3.004 . 4.132 3.373 3.226 3.471 . 0 0 "[ . 1 . 2]" 2
1823 1 67 ARG H 1 70 SER HB3 3.350 . 4.753 4.254 3.922 4.642 . 0 0 "[ . 1 . 2]" 2
1824 1 23 VAL MG2 1 34 ASP H 3.132 . 4.358 3.842 3.698 4.074 . 0 0 "[ . 1 . 2]" 2
1825 1 27 TRP HE1 1 73 ARG HG3 2.798 . 3.776 3.102 1.967 3.926 0.150 2 0 "[ . 1 . 2]" 2
1826 1 30 ASP HB2 1 31 GLY H 2.991 . 4.109 4.146 3.967 4.345 0.236 17 0 "[ . 1 . 2]" 2
1827 1 23 VAL MG2 1 40 ASP H 3.323 . 4.704 3.901 3.562 4.203 . 0 0 "[ . 1 . 2]" 2
1828 1 8 THR MG 1 14 PHE H 3.365 . 4.780 4.001 3.791 4.224 . 0 0 "[ . 1 . 2]" 2
1829 1 23 VAL QG 1 35 CYS H 2.949 . 4.036 3.607 3.312 3.974 . 0 0 "[ . 1 . 2]" 2
1830 1 48 LEU MD2 1 66 VAL H 2.922 . 3.989 3.375 3.199 3.525 . 0 0 "[ . 1 . 2]" 2
1831 1 43 ILE MD 1 46 GLY H 3.059 . 4.229 3.757 3.560 3.936 . 0 0 "[ . 1 . 2]" 2
1832 1 27 TRP H 1 30 ASP H 3.761 . 5.529 3.925 3.441 4.384 . 0 0 "[ . 1 . 2]" 2
1833 1 13 SER H 1 14 PHE QB 3.864 . 5.730 5.068 4.895 5.198 . 0 0 "[ . 1 . 2]" 2
1834 1 33 LYS QE 1 41 GLU H 3.761 . 5.529 4.007 3.844 4.352 . 0 0 "[ . 1 . 2]" 2
1835 1 35 CYS H 1 42 SER H 3.991 . 5.982 5.616 5.493 5.767 . 0 0 "[ . 1 . 2]" 2
1836 1 40 ASP HB3 1 42 SER H 3.864 . 5.730 4.627 4.277 5.158 . 0 0 "[ . 1 . 2]" 2
1837 1 45 ALA HA 1 47 CYS H 2.492 . 6.500 4.430 4.373 4.486 . 0 0 "[ . 1 . 2]" 2
1838 1 27 TRP HE3 1 35 CYS H 3.761 . 5.529 5.609 5.437 5.789 0.260 6 0 "[ . 1 . 2]" 2
1839 1 14 PHE H 1 27 TRP H 3.761 . 6.500 5.866 5.524 6.230 . 0 0 "[ . 1 . 2]" 2
1840 1 73 ARG QB 1 74 LYS H 3.052 . 4.216 1.951 1.781 2.211 0.107 19 0 "[ . 1 . 2]" 2
1841 1 63 GLU H 1 64 LEU MD2 3.577 . 5.177 4.338 3.812 4.543 . 0 0 "[ . 1 . 2]" 2
1842 1 29 CYS H 1 43 ILE MD 3.991 . 5.982 5.722 5.459 5.928 . 0 0 "[ . 1 . 2]" 2
1843 1 13 SER QB 1 23 VAL H 3.945 . 5.891 4.443 3.932 4.882 . 0 0 "[ . 1 . 2]" 2
1844 1 77 LYS QB 1 78 ARG H 3.600 . 5.220 2.885 1.861 3.590 0.119 1 0 "[ . 1 . 2]" 2
1845 1 43 ILE H 1 43 ILE HG13 3.761 . 5.529 3.820 3.697 3.929 . 0 0 "[ . 1 . 2]" 2
1846 1 26 ARG HB3 1 30 ASP H 4.095 . 6.191 5.924 5.592 6.182 . 0 0 "[ . 1 . 2]" 2
1847 1 25 GLU H 1 27 TRP H 3.187 . 4.457 3.879 3.790 4.009 . 0 0 "[ . 1 . 2]" 2
1848 1 78 ARG HA 1 79 LEU H 3.197 . 4.475 2.520 1.991 2.805 . 0 0 "[ . 1 . 2]" 2
1849 1 23 VAL MG2 1 39 ALA H 4.095 . 6.191 4.897 4.733 5.007 . 0 0 "[ . 1 . 2]" 2
1850 1 28 LEU HG 1 32 ASP H 4.095 . 6.500 6.522 6.275 6.804 0.304 17 0 "[ . 1 . 2]" 2
1851 1 26 ARG H 1 27 TRP HB2 3.903 . 5.807 4.064 3.815 4.421 . 0 0 "[ . 1 . 2]" 2
1852 1 15 SER H 1 23 VAL MG2 3.515 . 6.500 5.417 5.126 5.604 . 0 0 "[ . 1 . 2]" 2
1853 1 33 LYS QD 1 50 ASN HD22 4.095 . 6.191 5.085 4.011 6.252 0.061 5 0 "[ . 1 . 2]" 2
1854 1 30 ASP H 1 33 LYS QB 3.953 . 5.907 5.316 4.479 5.769 . 0 0 "[ . 1 . 2]" 2
1855 1 14 PHE QB 1 23 VAL H 3.023 . 4.165 3.147 2.939 3.280 . 0 0 "[ . 1 . 2]" 2
1856 1 30 ASP QB 1 34 ASP H 3.685 . 5.383 4.208 3.790 4.683 . 0 0 "[ . 1 . 2]" 2
1857 1 32 ASP HA 1 34 ASP H 3.953 . 5.907 4.638 4.539 4.793 . 0 0 "[ . 1 . 2]" 2
1858 1 23 VAL MG1 1 34 ASP H 3.631 . 5.279 4.995 4.689 5.310 0.031 11 0 "[ . 1 . 2]" 2
1859 1 26 ARG QD 1 27 TRP HE1 3.250 . 4.570 4.004 3.059 4.645 0.075 11 0 "[ . 1 . 2]" 2
1860 1 27 TRP HE1 1 30 ASP QB 2.774 . 3.736 3.116 2.359 3.762 0.026 5 0 "[ . 1 . 2]" 2
1861 1 24 PRO QB 1 27 TRP HE1 3.357 . 4.766 3.047 1.999 3.500 . 0 0 "[ . 1 . 2]" 2
1862 1 27 TRP QB 1 27 TRP HE1 3.631 . 5.279 3.802 2.760 4.148 . 0 0 "[ . 1 . 2]" 2
1863 1 23 VAL MG2 1 27 TRP HE1 4.474 . 6.976 5.453 5.095 5.788 . 0 0 "[ . 1 . 2]" 2
1864 1 30 ASP QB 1 31 GLY H 3.004 . 4.132 3.425 3.195 3.702 . 0 0 "[ . 1 . 2]" 2
1865 1 28 LEU HA 1 29 CYS H 2.358 . 3.053 2.808 2.781 2.815 . 0 0 "[ . 1 . 2]" 2
1866 1 29 CYS H 1 30 ASP HA 3.705 . 5.421 4.196 4.143 4.305 . 0 0 "[ . 1 . 2]" 2
1867 1 29 CYS H 1 31 GLY QA 3.953 . 6.500 6.157 5.268 6.551 0.051 14 0 "[ . 1 . 2]" 2
1868 1 26 ARG QD 1 29 CYS H 3.768 . 5.543 4.626 4.123 4.923 . 0 0 "[ . 1 . 2]" 2
1869 1 25 GLU QG 1 29 CYS H 3.469 . 4.973 4.896 4.676 5.161 0.188 3 0 "[ . 1 . 2]" 2
1870 1 29 CYS H 1 41 GLU QB 3.768 . 5.543 5.560 5.000 5.817 0.274 7 0 "[ . 1 . 2]" 2
1871 1 26 ARG QG 1 29 CYS H 3.522 . 5.073 4.491 4.257 4.661 . 0 0 "[ . 1 . 2]" 2
1872 1 16 CYS QB 1 39 ALA H 3.566 . 5.155 5.079 4.614 5.508 0.353 8 0 "[ . 1 . 2]" 2
1873 1 33 LYS HA 1 39 ALA H 4.095 . 6.191 5.197 4.966 5.481 . 0 0 "[ . 1 . 2]" 2
1874 1 35 CYS HA 1 39 ALA H 2.741 . 6.500 4.129 4.071 4.183 . 0 0 "[ . 1 . 2]" 2
1875 1 33 LYS QB 1 39 ALA H 3.648 . 5.312 4.272 4.198 4.384 . 0 0 "[ . 1 . 2]" 2
1876 1 19 THR MG 1 39 ALA H 3.746 . 6.500 6.259 6.157 6.402 . 0 0 "[ . 1 . 2]" 2
1877 1 36 ALA MB 1 39 ALA H 3.235 . 4.543 4.674 4.589 4.739 0.196 20 0 "[ . 1 . 2]" 2
1878 1 62 GLU H 1 62 GLU QG 3.433 . 4.906 3.541 3.170 3.696 . 0 0 "[ . 1 . 2]" 2
1879 1 16 CYS H 1 21 VAL QG 3.581 . 5.184 3.238 3.179 3.359 . 0 0 "[ . 1 . 2]" 2
1880 1 33 LYS HA 1 40 ASP H 3.746 . 5.500 4.556 4.372 4.886 . 0 0 "[ . 1 . 2]" 2
1881 1 16 CYS HA 1 40 ASP H 3.551 . 5.127 4.314 4.214 4.574 . 0 0 "[ . 1 . 2]" 2
1882 1 14 PHE H 1 16 CYS QB 4.095 . 6.191 4.931 4.638 5.226 . 0 0 "[ . 1 . 2]" 2
1883 1 33 LYS HA 1 35 CYS H 2.426 . 3.162 3.167 2.913 3.239 0.077 7 0 "[ . 1 . 2]" 2
1884 1 35 CYS H 1 36 ALA HA 3.705 . 5.421 5.268 5.164 5.352 . 0 0 "[ . 1 . 2]" 2
1885 1 14 PHE QB 1 27 TRP H 3.597 . 5.214 4.091 3.299 4.753 . 0 0 "[ . 1 . 2]" 2
1886 1 25 GLU QB 1 27 TRP H 3.014 . 4.149 3.002 2.751 3.399 . 0 0 "[ . 1 . 2]" 2
1887 1 27 TRP H 1 30 ASP QB 3.666 . 5.346 3.984 3.346 4.298 . 0 0 "[ . 1 . 2]" 2
1888 1 24 PRO QG 1 27 TRP H 2.766 . 3.722 3.428 2.152 3.982 0.260 2 0 "[ . 1 . 2]" 2
1889 1 27 TRP H 1 28 LEU MD2 3.191 . 4.563 4.590 4.238 4.950 0.387 9 0 "[ . 1 . 2]" 2
1890 1 23 VAL MG2 1 27 TRP H 3.000 . 4.125 3.172 3.012 3.533 . 0 0 "[ . 1 . 2]" 2
1891 1 12 SER QB 1 26 ARG H 3.666 . 5.346 3.788 3.585 4.021 . 0 0 "[ . 1 . 2]" 2
1892 1 25 GLU QB 1 26 ARG H 2.525 . 3.322 2.093 2.019 2.181 . 0 0 "[ . 1 . 2]" 2
1893 1 26 ARG H 1 28 LEU MD2 3.923 . 5.846 4.708 4.476 4.950 . 0 0 "[ . 1 . 2]" 2
1894 1 14 PHE QB 1 28 LEU H 3.614 . 5.246 4.390 4.044 4.698 . 0 0 "[ . 1 . 2]" 2
1895 1 25 GLU QB 1 28 LEU H 3.079 . 4.264 4.218 4.118 4.302 0.038 3 0 "[ . 1 . 2]" 2
1896 1 26 ARG QG 1 28 LEU H 2.494 . 6.500 4.067 3.705 4.269 . 0 0 "[ . 1 . 2]" 2
1897 1 79 LEU HG 1 80 LEU H 2.153 . 2.733 2.248 1.915 2.825 0.092 20 0 "[ . 1 . 2]" 2
1898 1 79 LEU MD2 1 80 LEU H 2.493 . 3.270 3.049 1.810 3.491 0.221 12 0 "[ . 1 . 2]" 2
1899 1 11 PRO QG 1 13 SER H 3.923 . 5.846 5.204 4.559 5.638 . 0 0 "[ . 1 . 2]" 2
1900 1 12 SER QB 1 13 SER H 2.511 . 6.500 3.691 3.593 3.801 . 0 0 "[ . 1 . 2]" 2
1901 1 12 SER HA 1 13 SER H 2.383 . 3.093 2.287 2.171 2.448 . 0 0 "[ . 1 . 2]" 2
1902 1 13 SER H 1 14 PHE QB 3.648 . 5.312 4.849 4.543 5.016 . 0 0 "[ . 1 . 2]" 2
1903 1 11 PRO QB 1 13 SER H 3.250 . 4.670 4.715 4.316 5.017 0.347 15 0 "[ . 1 . 2]" 2
1904 1 33 LYS HA 1 41 GLU H 2.910 . 3.969 3.548 3.245 3.927 . 0 0 "[ . 1 . 2]" 2
1905 1 23 VAL MG2 1 41 GLU H 3.378 . 4.804 4.480 4.185 4.806 0.002 12 0 "[ . 1 . 2]" 2
1906 1 40 ASP HA 1 41 GLU H 2.552 . 3.366 2.767 2.751 2.793 . 0 0 "[ . 1 . 2]" 2
1907 1 39 ALA MB 1 41 GLU H 2.509 . 6.500 4.026 3.791 4.165 . 0 0 "[ . 1 . 2]" 2
1908 1 36 ALA MB 1 41 GLU H 3.791 . 6.500 6.094 5.834 6.292 . 0 0 "[ . 1 . 2]" 2
1909 1 40 ASP HA 1 42 SER H 2.720 . 3.645 3.240 3.026 3.346 . 0 0 "[ . 1 . 2]" 2
1910 1 28 LEU QB 1 42 SER H 3.482 . 4.997 4.532 4.255 4.689 . 0 0 "[ . 1 . 2]" 2
1911 1 23 VAL MG2 1 42 SER H 3.685 . 5.383 5.285 4.524 5.485 0.102 15 0 "[ . 1 . 2]" 2
1912 1 39 ALA MB 1 42 SER H 2.305 . 6.500 3.640 3.336 3.757 . 0 0 "[ . 1 . 2]" 2
1913 1 42 SER HA 1 47 CYS H 3.685 . 5.383 5.040 4.903 5.219 . 0 0 "[ . 1 . 2]" 2
1914 1 40 ASP HA 1 47 CYS H 2.849 . 6.500 4.510 4.420 4.565 . 0 0 "[ . 1 . 2]" 2
1915 1 14 PHE QB 1 47 CYS H 3.319 . 6.500 5.211 5.141 5.255 . 0 0 "[ . 1 . 2]" 2
1916 1 28 LEU MD2 1 47 CYS H 3.102 . 4.305 3.685 3.585 3.825 . 0 0 "[ . 1 . 2]" 2
1917 1 27 TRP HA 1 32 ASP H 3.132 . 4.508 4.526 4.242 4.688 0.180 1 0 "[ . 1 . 2]" 2
1918 1 32 ASP H 1 33 LYS QB 3.581 . 5.184 4.552 3.396 5.214 0.030 17 0 "[ . 1 . 2]" 2
1919 1 68 LEU MD1 1 72 LEU H 3.648 . 5.312 3.779 3.483 4.142 . 0 0 "[ . 1 . 2]" 2
1920 1 70 SER HA 1 72 LEU H 3.725 . 5.460 3.491 3.178 4.006 . 0 0 "[ . 1 . 2]" 2
1921 1 65 ARG QG 1 66 VAL H 2.821 . 3.816 1.904 1.721 2.379 0.105 18 0 "[ . 1 . 2]" 2
1922 1 72 LEU H 1 72 LEU HA 2.896 . 3.944 2.804 2.798 2.814 . 0 0 "[ . 1 . 2]" 2
1923 1 72 LEU H 1 72 LEU QB 2.727 . 3.656 2.151 1.933 2.283 . 0 0 "[ . 1 . 2]" 2
1924 1 26 ARG QG 1 72 LEU H 3.144 . 4.380 3.119 2.314 3.955 . 0 0 "[ . 1 . 2]" 2
1925 1 72 LEU MD2 1 73 ARG H 3.053 . 4.218 2.742 2.055 3.186 . 0 0 "[ . 1 . 2]" 2
1926 1 72 LEU H 1 72 LEU MD1 3.023 . 4.165 3.529 3.310 3.685 . 0 0 "[ . 1 . 2]" 2
1927 1 62 GLU QG 1 65 ARG H 3.725 . 5.460 5.176 4.659 5.513 0.053 20 0 "[ . 1 . 2]" 2
1928 1 48 LEU MD2 1 65 ARG H 3.301 . 4.663 3.948 3.727 4.247 . 0 0 "[ . 1 . 2]" 2
1929 1 61 THR MG 1 65 ARG H 3.508 . 5.046 3.612 3.458 3.742 . 0 0 "[ . 1 . 2]" 2
1930 1 48 LEU MD2 1 49 TYR H 3.522 . 5.073 3.644 3.313 4.020 . 0 0 "[ . 1 . 2]" 2
1931 1 56 SER QB 1 63 GLU H 3.522 . 5.073 4.317 3.557 4.852 . 0 0 "[ . 1 . 2]" 2
1932 1 60 SER HA 1 63 GLU H 2.264 . 2.905 2.642 2.614 2.683 . 0 0 "[ . 1 . 2]" 2
1933 1 62 GLU QB 1 63 GLU H 2.159 . 2.742 2.188 1.922 2.423 . 0 0 "[ . 1 . 2]" 2
1934 1 61 THR MG 1 63 GLU H 3.631 . 5.279 4.397 3.827 4.595 . 0 0 "[ . 1 . 2]" 2
1935 1 15 SER HA 1 21 VAL H 3.367 . 6.500 6.185 5.493 6.564 0.064 14 0 "[ . 1 . 2]" 2
1936 1 73 ARG HA 1 75 LEU H 2.858 . 3.879 3.335 3.147 3.491 . 0 0 "[ . 1 . 2]" 2
1937 1 73 ARG QB 1 75 LEU H 3.923 . 5.846 3.814 3.461 4.294 . 0 0 "[ . 1 . 2]" 2
1938 1 75 LEU H 1 75 LEU HG 2.973 . 4.078 3.627 2.648 4.246 0.168 18 0 "[ . 1 . 2]" 2
1939 1 72 LEU MD2 1 75 LEU H 2.827 . 3.826 3.751 3.534 3.935 0.109 17 0 "[ . 1 . 2]" 2
1940 1 13 SER HA 1 15 SER H 4.181 . 6.366 5.750 5.483 5.944 . 0 0 "[ . 1 . 2]" 2
1941 1 15 SER H 1 17 PRO QG 3.923 . 6.500 5.951 5.720 6.306 . 0 0 "[ . 1 . 2]" 2
1942 1 15 SER H 1 21 VAL MG1 3.357 . 6.500 5.259 5.172 5.325 . 0 0 "[ . 1 . 2]" 2
1943 1 61 THR MG 1 64 LEU H 3.685 . 5.383 4.275 4.113 4.482 . 0 0 "[ . 1 . 2]" 2
1944 1 60 SER HA 1 64 LEU H 2.346 . 3.084 3.213 3.181 3.253 0.169 19 0 "[ . 1 . 2]" 2
1945 1 64 LEU H 1 64 LEU HA 2.601 . 3.447 2.147 2.025 2.318 . 0 0 "[ . 1 . 2]" 2
1946 1 64 LEU H 1 67 ARG QD 4.181 . 6.366 3.135 1.945 4.054 0.051 15 0 "[ . 1 . 2]" 2
1947 1 64 LEU H 1 64 LEU HG 2.499 . 3.380 3.094 1.970 3.746 0.366 13 0 "[ . 1 . 2]" 2
1948 1 64 LEU H 1 64 LEU MD2 2.846 . 3.858 3.430 2.252 3.640 . 0 0 "[ . 1 . 2]" 2
1949 1 7 LYS H 1 7 LYS QB 3.768 . 5.543 2.674 1.764 3.248 0.229 1 0 "[ . 1 . 2]" 2
1950 1 7 LYS H 1 24 PRO QG 3.866 . 5.735 2.974 1.936 3.629 0.061 20 0 "[ . 1 . 2]" 2
1951 1 7 LYS H 1 7 LYS HA 4.020 . 6.040 2.111 1.872 2.476 0.128 12 0 "[ . 1 . 2]" 2
1952 1 65 ARG HA 1 68 LEU H 3.096 . 4.294 3.322 3.182 3.444 . 0 0 "[ . 1 . 2]" 2
1953 1 5 GLU H 1 5 GLU QB 2.593 . 3.433 2.362 2.015 2.623 . 0 0 "[ . 1 . 2]" 2
1954 1 14 PHE QB 1 25 GLU H 4.020 . 6.040 4.031 3.102 4.548 . 0 0 "[ . 1 . 2]" 2
1955 1 24 PRO QG 1 25 GLU H 3.235 . 4.543 4.344 4.098 4.444 . 0 0 "[ . 1 . 2]" 2
1956 1 33 LYS HA 1 38 GLY H 3.310 . 4.679 4.393 4.177 4.685 0.006 9 0 "[ . 1 . 2]" 2
1957 1 19 THR MG 1 38 GLY H 4.748 . 7.566 6.398 6.224 6.572 . 0 0 "[ . 1 . 2]" 2
1958 1 40 ASP HA 1 46 GLY H 2.761 . 6.500 4.216 4.093 4.322 . 0 0 "[ . 1 . 2]" 2
1959 1 17 PRO QG 1 46 GLY H 3.791 . 6.500 6.311 6.131 6.497 . 0 0 "[ . 1 . 2]" 2
1960 1 65 ARG QD 1 66 VAL H 3.191 . 4.463 2.692 1.892 3.309 0.027 2 0 "[ . 1 . 2]" 2
1961 1 63 GLU HA 1 66 VAL H 2.349 . 3.039 2.579 2.491 2.667 . 0 0 "[ . 1 . 2]" 2
1962 1 62 GLU QG 1 66 VAL H 3.328 . 4.812 4.755 4.187 5.071 0.259 5 0 "[ . 1 . 2]" 2
1963 1 65 ARG QB 1 66 VAL H 2.435 . 3.176 2.485 2.043 2.705 . 0 0 "[ . 1 . 2]" 2
1964 1 66 VAL H 1 69 ALA MB 3.986 . 5.972 4.044 3.272 4.598 . 0 0 "[ . 1 . 2]" 2
1965 1 66 VAL HA 1 67 ARG H 3.014 . 4.149 3.236 3.170 3.355 . 0 0 "[ . 1 . 2]" 2
1966 1 63 GLU HA 1 67 ARG H 2.914 . 3.975 2.709 2.433 2.842 . 0 0 "[ . 1 . 2]" 2
1967 1 26 ARG QD 1 69 ALA H 3.536 . 5.099 3.573 3.104 4.454 . 0 0 "[ . 1 . 2]" 2
1968 1 66 VAL QG 1 67 ARG H 2.862 . 3.886 3.386 2.746 3.605 . 0 0 "[ . 1 . 2]" 2
1969 1 23 VAL H 1 23 VAL MG2 3.597 . 5.214 3.668 3.607 3.733 . 0 0 "[ . 1 . 2]" 2
1970 1 48 LEU MD2 1 63 GLU H 4.474 . 6.976 4.751 4.401 5.045 . 0 0 "[ . 1 . 2]" 2
1971 1 78 ARG QG 1 79 LEU H 3.235 . 4.543 3.406 1.968 4.176 . 0 0 "[ . 1 . 2]" 2
1972 1 79 LEU H 1 79 LEU MD1 3.768 . 5.543 3.535 2.287 4.225 . 0 0 "[ . 1 . 2]" 2
1973 1 27 TRP HA 1 34 ASP H 4.403 . 6.826 4.988 4.770 5.225 . 0 0 "[ . 1 . 2]" 2
1974 1 23 VAL MG2 1 32 ASP H 4.137 . 6.500 6.381 6.096 6.584 0.084 2 0 "[ . 1 . 2]" 2
1975 1 26 ARG QG 1 32 ASP H 4.137 . 6.276 6.184 5.899 6.372 0.096 17 0 "[ . 1 . 2]" 2
1976 1 26 ARG QB 1 32 ASP H 4.871 . 7.837 6.522 6.290 6.772 . 0 0 "[ . 1 . 2]" 2
1977 1 48 LEU HG 1 49 TYR H 3.815 . 5.634 5.672 4.862 5.866 0.232 10 0 "[ . 1 . 2]" 2
1978 1 71 HIS QB 1 72 LEU H 2.748 . 3.692 2.491 2.037 2.729 . 0 0 "[ . 1 . 2]" 2
1979 1 16 CYS HA 1 21 VAL H 4.056 . 6.113 6.078 5.385 6.323 0.210 11 0 "[ . 1 . 2]" 2
1980 1 2 SER QB 1 30 ASP H 4.643 . 7.338 6.182 5.254 6.689 . 0 0 "[ . 1 . 2]" 2
1981 1 26 ARG HA 1 30 ASP H 4.230 . 6.466 5.304 5.130 5.494 . 0 0 "[ . 1 . 2]" 2
1982 1 28 LEU MD2 1 30 ASP H 4.095 . 6.191 5.732 5.474 5.946 . 0 0 "[ . 1 . 2]" 2
1983 1 26 ARG QG 1 30 ASP H 4.137 . 6.276 5.453 4.955 5.856 . 0 0 "[ . 1 . 2]" 2
1984 1 5 GLU H 1 21 VAL MG2 4.181 . 6.366 3.820 2.816 4.644 . 0 0 "[ . 1 . 2]" 2
1985 1 15 SER H 1 16 CYS QB 4.056 . 6.113 5.875 5.644 5.988 . 0 0 "[ . 1 . 2]" 2
1986 1 28 LEU QB 1 30 ASP H 3.768 . 5.543 4.170 3.936 4.421 . 0 0 "[ . 1 . 2]" 2
1987 1 25 GLU QB 1 29 CYS H 4.137 . 6.276 5.209 4.847 5.422 . 0 0 "[ . 1 . 2]" 2
1988 1 26 ARG QB 1 30 ASP H 4.403 . 6.826 5.818 5.513 6.108 . 0 0 "[ . 1 . 2]" 2
1989 1 26 ARG QD 1 30 ASP H 4.474 . 6.976 4.919 4.368 5.568 . 0 0 "[ . 1 . 2]" 2
1990 1 31 GLY H 1 54 SER QB 4.403 . 6.826 5.932 4.627 7.006 0.180 18 0 "[ . 1 . 2]" 2
1991 1 12 SER QB 1 27 TRP HE1 4.403 . 6.826 6.325 5.978 6.763 . 0 0 "[ . 1 . 2]" 2
1992 1 47 CYS H 1 49 TYR QB 3.986 . 5.972 5.104 4.758 5.399 . 0 0 "[ . 1 . 2]" 2
1993 1 42 SER HA 1 46 GLY H 4.181 . 6.366 5.711 5.597 5.853 . 0 0 "[ . 1 . 2]" 2
1994 1 14 PHE QB 1 46 GLY H 3.840 . 5.683 5.483 5.168 5.736 0.053 3 0 "[ . 1 . 2]" 2
1995 1 36 ALA MB 1 40 ASP H 4.340 . 6.694 5.378 5.285 5.505 . 0 0 "[ . 1 . 2]" 2
1996 1 14 PHE H 1 23 VAL MG2 3.074 . 4.255 3.451 3.061 3.863 . 0 0 "[ . 1 . 2]" 2
1997 1 33 LYS QB 1 40 ASP H 3.184 . 4.451 4.357 4.189 4.611 0.160 1 0 "[ . 1 . 2]" 2
1998 1 17 PRO QG 1 40 ASP H 5.021 . 8.173 4.796 4.677 4.929 . 0 0 "[ . 1 . 2]" 2
1999 1 23 VAL MG2 1 40 ASP H 3.074 . 4.255 4.028 3.770 4.351 0.096 12 0 "[ . 1 . 2]" 2
2000 1 39 ALA MB 1 44 ALA H 3.791 . 5.588 4.213 4.093 4.269 . 0 0 "[ . 1 . 2]" 2
2001 1 28 LEU H 1 29 CYS QB 4.056 . 6.113 5.096 4.876 5.429 . 0 0 "[ . 1 . 2]" 2
2002 1 16 CYS HA 1 41 GLU H 4.137 . 6.276 5.491 5.220 5.721 . 0 0 "[ . 1 . 2]" 2
2003 1 16 CYS HA 1 41 GLU H 4.282 . 6.574 5.688 5.385 5.973 . 0 0 "[ . 1 . 2]" 2
2004 1 17 PRO QD 1 42 SER H 3.953 . 5.907 5.707 5.419 5.867 . 0 0 "[ . 1 . 2]" 2
2005 1 28 LEU MD1 1 47 CYS H 4.056 . 6.113 5.483 5.110 5.657 . 0 0 "[ . 1 . 2]" 2
2006 1 25 GLU QG 1 47 CYS H 4.020 . 6.500 6.320 6.129 6.534 0.034 11 0 "[ . 1 . 2]" 2
2007 1 23 VAL HB 1 27 TRP H 4.020 . 6.040 6.136 6.051 6.222 0.182 14 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 45
_Distance_constraint_stats_list.Viol_total 68.668
_Distance_constraint_stats_list.Viol_max 0.296
_Distance_constraint_stats_list.Viol_rms 0.0548
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0286
_Distance_constraint_stats_list.Viol_average_violations_only 0.0763
_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 24 PRO 1.200 0.220 8 0 "[ . 1 . 2]"
1 25 GLU 1.648 0.296 3 0 "[ . 1 . 2]"
1 27 TRP 1.200 0.220 8 0 "[ . 1 . 2]"
1 28 LEU 1.648 0.296 3 0 "[ . 1 . 2]"
1 38 GLY 0.585 0.131 8 0 "[ . 1 . 2]"
1 41 GLU 0.585 0.131 8 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 38 GLY O 1 41 GLU H 1.700 . 2.200 2.205 1.974 2.331 0.131 8 0 "[ . 1 . 2]" 3
2 1 38 GLY O 1 41 GLU N 2.700 2.700 3.200 2.867 2.760 3.075 . 0 0 "[ . 1 . 2]" 3
3 1 25 GLU O 1 28 LEU H 1.700 . 2.200 2.186 1.756 2.496 0.296 3 0 "[ . 1 . 2]" 3
4 1 25 GLU O 1 28 LEU N 2.700 2.700 3.200 3.034 2.656 3.287 0.087 3 0 "[ . 1 . 2]" 3
5 1 24 PRO O 1 27 TRP H 1.700 . 2.200 2.218 1.941 2.420 0.220 8 0 "[ . 1 . 2]" 3
6 1 24 PRO O 1 27 TRP N 2.700 2.700 3.200 2.975 2.748 3.201 0.001 2 0 "[ . 1 . 2]" 3
stop_
save_