NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424466 |
2fyj   |
5961 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fyj
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 30
_Distance_constraint_stats_list.Viol_count 256
_Distance_constraint_stats_list.Viol_total 4099.175
_Distance_constraint_stats_list.Viol_max 3.963
_Distance_constraint_stats_list.Viol_rms 0.8368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6073
_Distance_constraint_stats_list.Viol_average_violations_only 1.0675
_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 22 TRP 34.448 2.205 3 14 "[**+-* *********]"
1 25 ASP 65.492 3.963 12 15 [*-*********+***]
1 27 ASP 26.963 2.396 2 12 "[*+*-**** 1** **]"
1 29 ASP 63.308 3.963 12 14 "[***-**** **+***]"
1 35 ASP 48.511 2.629 7 14 "[-*****+***** **]"
1 36 GLU 96.691 3.777 12 15 [***-*******+***]
1 63 TRP 42.224 2.389 7 14 "[** ***+********]"
1 66 ASP 18.913 1.888 6 10 "[** **+** 1-* *]"
1 68 ASP 28.791 2.340 15 12 "[*- ******1** *+]"
1 70 ASP 39.734 2.882 5 11 "[* *+*-***** *]"
1 76 ASP 43.929 2.882 5 13 "[*- *+******* **]"
1 77 GLU 37.553 2.389 7 10 "[** ** +**1* * *]"
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 22 TRP O 1 25 ASP OD1 4.940 . 5.940 4.016 2.647 6.156 0.216 12 0 "[ . 1 .]" 1
2 1 22 TRP O 1 27 ASP O 6.980 3.780 7.980 5.038 3.767 7.041 0.013 9 0 "[ . 1 .]" 1
3 1 22 TRP O 1 29 ASP OD1 4.940 . 5.940 4.689 2.835 7.403 1.463 4 2 "[ +. 1 - .]" 1
4 1 22 TRP O 1 35 ASP OD1 4.940 . 5.940 6.149 4.762 7.352 1.412 3 7 "[* +-. ***1 *]" 1
5 1 22 TRP O 1 36 GLU OE1 4.940 . 5.940 7.530 5.138 8.145 2.205 3 14 "[**+-* *********]" 1
6 1 25 ASP OD1 1 27 ASP O 4.940 . 5.940 5.731 3.553 7.744 1.804 7 4 "[* .*+ 1 - .]" 1
7 1 25 ASP OD1 1 29 ASP OD1 4.940 . 5.940 7.417 5.988 9.903 3.963 12 10 "[- ***** **+* .]" 1
8 1 25 ASP OD1 1 35 ASP OD1 6.980 3.780 7.980 8.754 6.412 10.609 2.629 7 9 "[* * **+-** * .]" 1
9 1 25 ASP OD1 1 36 GLU OE1 4.940 . 5.940 7.481 5.902 8.363 2.423 1 13 "[+-* ****** ****]" 1
10 1 27 ASP O 1 29 ASP OD1 4.940 . 5.940 5.840 3.831 7.422 1.482 11 5 "[* -** 1+ .]" 1
11 1 27 ASP O 1 35 ASP OD1 4.940 . 5.940 5.997 3.733 8.336 2.396 2 6 "[-+* * ** 1 .]" 1
12 1 27 ASP O 1 36 GLU OE1 4.940 . 5.940 6.134 4.606 8.266 2.326 14 3 "[* . 1 +-]" 1
13 1 29 ASP OD1 1 35 ASP OD1 4.940 . 5.940 5.836 4.482 8.102 2.162 1 4 "[+- * 1 * .]" 1
14 1 29 ASP OD1 1 36 GLU OE1 6.980 3.780 7.980 9.772 6.579 11.757 3.777 12 12 "[* **** * **+*-*]" 1
15 1 35 ASP OD1 1 36 GLU OE1 4.940 . 5.940 6.777 5.722 8.476 2.536 5 9 "[-***+ **1* *.]" 1
16 1 63 TRP O 1 66 ASP OD1 4.940 . 5.940 6.066 5.486 6.265 0.325 15 0 "[ . 1 .]" 1
17 1 63 TRP O 1 68 ASP O 6.980 3.780 7.980 3.666 3.427 3.794 0.353 13 0 "[ . 1 .]" 1
18 1 63 TRP O 1 70 ASP OD1 4.940 . 5.940 5.046 2.754 6.495 0.555 7 1 "[ . + 1 .]" 1
19 1 63 TRP O 1 76 ASP OD1 4.940 . 5.940 7.053 4.721 7.944 2.004 4 12 "[** +******** -.]" 1
20 1 63 TRP O 1 77 GLU OE1 4.940 . 5.940 7.198 5.670 8.329 2.389 7 10 "[*- ** +**1* * *]" 1
21 1 66 ASP OD1 1 68 ASP O 4.940 . 5.940 4.692 3.359 6.007 0.067 10 0 "[ . 1 .]" 1
22 1 66 ASP OD1 1 70 ASP OD1 4.940 . 5.940 6.711 5.362 7.828 1.888 6 9 "[* **+** 1-* *]" 1
23 1 66 ASP OD1 1 76 ASP OD1 6.980 3.780 7.980 6.752 2.838 8.810 0.942 15 3 "[ * . 1 - +]" 1
24 1 66 ASP OD1 1 77 GLU OE1 4.940 . 5.940 4.943 3.306 7.348 1.408 15 1 "[ . 1 +]" 1
25 1 68 ASP O 1 70 ASP OD1 4.940 . 5.940 6.656 4.950 7.690 1.750 15 9 "[* -**** 1** +]" 1
26 1 68 ASP O 1 76 ASP OD1 4.940 . 5.940 5.385 2.879 7.129 1.189 4 5 "[*- +. 1 * *.]" 1
27 1 68 ASP O 1 77 GLU OE1 4.940 . 5.940 6.019 3.166 8.280 2.340 15 7 "[* ** **1- +]" 1
28 1 70 ASP OD1 1 76 ASP OD1 4.940 . 5.940 6.558 4.759 8.822 2.882 5 8 "[ -+* **** *]" 1
29 1 70 ASP OD1 1 77 GLU OE1 6.980 3.780 7.980 5.512 3.766 8.107 0.127 13 0 "[ . 1 .]" 1
30 1 76 ASP OD1 1 77 GLU OE1 4.940 . 5.940 5.777 4.171 7.682 1.742 1 4 "[+ . - *1 *]" 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 675
_Distance_constraint_stats_list.Viol_count 1593
_Distance_constraint_stats_list.Viol_total 2270.640
_Distance_constraint_stats_list.Viol_max 0.451
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0950
_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 2 ALA 0.315 0.167 3 0 "[ . 1 .]"
1 3 ARG 1.062 0.169 5 0 "[ . 1 .]"
1 4 THR 1.205 0.215 5 0 "[ . 1 .]"
1 5 CYS 4.593 0.258 2 0 "[ . 1 .]"
1 6 PRO 0.981 0.097 15 0 "[ . 1 .]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 8 ASN 1.483 0.150 2 0 "[ . 1 .]"
1 9 GLN 6.947 0.274 2 0 "[ . 1 .]"
1 10 PHE 7.987 0.310 15 0 "[ . 1 .]"
1 11 SER 8.324 0.378 13 0 "[ . 1 .]"
1 12 CYS 5.330 0.258 2 0 "[ . 1 .]"
1 13 ALA 4.031 0.240 1 0 "[ . 1 .]"
1 14 SER 0.889 0.169 5 0 "[ . 1 .]"
1 15 GLY 1.440 0.129 2 0 "[ . 1 .]"
1 16 ARG 2.616 0.193 6 0 "[ . 1 .]"
1 17 CYS 4.709 0.240 10 0 "[ . 1 .]"
1 18 ILE 13.877 0.378 13 0 "[ . 1 .]"
1 19 PRO 1.881 0.140 2 0 "[ . 1 .]"
1 20 ILE 6.733 0.357 9 0 "[ . 1 .]"
1 21 SER 0.582 0.106 14 0 "[ . 1 .]"
1 22 TRP 12.509 0.417 10 0 "[ . 1 .]"
1 23 THR 9.865 0.380 2 0 "[ . 1 .]"
1 24 CYS 9.568 0.380 2 0 "[ . 1 .]"
1 25 ASP 0.200 0.124 7 0 "[ . 1 .]"
1 26 LEU 4.054 0.217 14 0 "[ . 1 .]"
1 27 ASP 0.884 0.186 1 0 "[ . 1 .]"
1 29 ASP 3.415 0.279 1 0 "[ . 1 .]"
1 30 CYS 6.694 0.346 10 0 "[ . 1 .]"
1 31 GLY 0.468 0.130 3 0 "[ . 1 .]"
1 32 ASP 3.118 0.311 5 0 "[ . 1 .]"
1 33 ARG 3.632 0.418 10 0 "[ . 1 .]"
1 34 SER 1.690 0.189 14 0 "[ . 1 .]"
1 35 ASP 8.307 0.418 10 0 "[ . 1 .]"
1 36 GLU 3.067 0.246 11 0 "[ . 1 .]"
1 37 SER 1.217 0.161 13 0 "[ . 1 .]"
1 38 ALA 1.481 0.308 10 0 "[ . 1 .]"
1 39 SER 0.381 0.159 5 0 "[ . 1 .]"
1 40 CYS 5.959 0.308 10 0 "[ . 1 .]"
1 41 ALA 0.875 0.202 3 0 "[ . 1 .]"
1 42 TYR 5.025 0.332 4 0 "[ . 1 .]"
1 43 PRO 0.775 0.249 7 0 "[ . 1 .]"
1 44 THR 3.359 0.365 6 0 "[ . 1 .]"
1 45 CYS 4.344 0.365 6 0 "[ . 1 .]"
1 46 PHE 5.401 0.287 15 0 "[ . 1 .]"
1 47 PRO 0.829 0.179 8 0 "[ . 1 .]"
1 48 LEU 7.845 0.417 10 0 "[ . 1 .]"
1 49 THR 3.982 0.286 14 0 "[ . 1 .]"
1 50 GLN 4.447 0.284 10 0 "[ . 1 .]"
1 51 PHE 6.823 0.238 15 0 "[ . 1 .]"
1 52 THR 1.517 0.189 12 0 "[ . 1 .]"
1 53 CYS 7.621 0.451 14 0 "[ . 1 .]"
1 54 ASN 1.458 0.189 8 0 "[ . 1 .]"
1 55 ASN 3.919 0.218 8 0 "[ . 1 .]"
1 56 GLY 0.707 0.149 13 0 "[ . 1 .]"
1 57 ARG 6.234 0.315 14 0 "[ . 1 .]"
1 58 CYS 2.684 0.221 1 0 "[ . 1 .]"
1 59 ILE 10.561 0.451 14 0 "[ . 1 .]"
1 60 ASN 0.766 0.126 11 0 "[ . 1 .]"
1 61 ILE 4.729 0.221 10 0 "[ . 1 .]"
1 62 ASN 1.288 0.127 14 0 "[ . 1 .]"
1 63 TRP 2.348 0.184 12 0 "[ . 1 .]"
1 64 ARG 5.035 0.317 8 0 "[ . 1 .]"
1 65 CYS 2.617 0.226 1 0 "[ . 1 .]"
1 66 ASP 2.724 0.226 1 0 "[ . 1 .]"
1 67 ASN 3.059 0.223 10 0 "[ . 1 .]"
1 68 ASP 0.125 0.093 15 0 "[ . 1 .]"
1 70 ASP 2.412 0.418 9 0 "[ . 1 .]"
1 71 CYS 0.128 0.065 2 0 "[ . 1 .]"
1 72 GLY 0.617 0.159 8 0 "[ . 1 .]"
1 73 ASP 2.361 0.332 8 0 "[ . 1 .]"
1 74 ASN 1.931 0.332 8 0 "[ . 1 .]"
1 75 SER 5.913 0.239 11 0 "[ . 1 .]"
1 76 ASP 7.444 0.317 8 0 "[ . 1 .]"
1 77 GLU 4.966 0.239 11 0 "[ . 1 .]"
1 78 ALA 4.580 0.220 1 0 "[ . 1 .]"
1 82 HIS 0.000 0.000 . 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA HA 1 3 ARG H 3.000 . 3.300 2.650 2.138 3.467 0.167 3 0 "[ . 1 .]" 2
2 1 2 ALA MB 1 3 ARG HA 4.000 . 5.500 4.200 3.827 4.900 . 0 0 "[ . 1 .]" 2
3 1 3 ARG H 1 3 ARG QG 4.000 . 5.000 3.693 2.358 4.326 . 0 0 "[ . 1 .]" 2
4 1 3 ARG HA 1 3 ARG QD 4.000 . 5.000 3.814 1.833 4.512 . 0 0 "[ . 1 .]" 2
5 1 3 ARG QG 1 4 THR H 4.000 . 5.000 3.378 1.825 4.439 . 0 0 "[ . 1 .]" 2
6 1 3 ARG QG 1 14 SER QB 4.000 . 5.000 4.973 4.230 5.169 0.169 5 0 "[ . 1 .]" 2
7 1 4 THR HA 1 5 CYS H 3.000 . 3.300 2.875 2.161 3.515 0.215 5 0 "[ . 1 .]" 2
8 1 4 THR HB 1 5 CYS H 4.000 . 5.000 3.192 1.686 4.603 0.114 12 0 "[ . 1 .]" 2
9 1 4 THR HB 1 11 SER H 4.000 . 5.000 4.796 3.888 5.121 0.121 1 0 "[ . 1 .]" 2
10 1 4 THR MG 1 5 CYS H 4.000 . 5.500 3.625 1.826 4.386 . 0 0 "[ . 1 .]" 2
11 1 5 CYS H 1 11 SER QB 4.000 . 5.000 2.933 1.766 3.835 0.034 12 0 "[ . 1 .]" 2
12 1 5 CYS HA 1 6 PRO QG 4.000 . 5.000 3.876 3.681 4.185 . 0 0 "[ . 1 .]" 2
13 1 5 CYS HA 1 17 CYS HA 4.000 . 5.000 4.972 4.507 5.240 0.240 10 0 "[ . 1 .]" 2
14 1 5 CYS QB 1 6 PRO QD 4.000 . 5.000 2.473 1.808 3.286 . 0 0 "[ . 1 .]" 2
15 1 5 CYS QB 1 9 GLN QB 4.000 . 5.000 2.259 1.543 3.159 0.257 15 0 "[ . 1 .]" 2
16 1 5 CYS QB 1 9 GLN QG 4.000 . 5.000 3.183 1.809 4.152 . 0 0 "[ . 1 .]" 2
17 1 5 CYS QB 1 11 SER H 4.000 . 5.000 3.057 2.523 3.509 . 0 0 "[ . 1 .]" 2
18 1 5 CYS QB 1 12 CYS H 4.000 . 5.000 5.095 4.552 5.258 0.258 2 0 "[ . 1 .]" 2
19 1 5 CYS QB 1 17 CYS QB 4.000 . 5.000 4.116 3.131 4.372 . 0 0 "[ . 1 .]" 2
20 1 5 CYS QB 1 18 ILE H 4.000 . 5.000 4.115 3.702 4.659 . 0 0 "[ . 1 .]" 2
21 1 6 PRO QB 1 7 PRO QB 4.000 . 5.000 4.333 4.026 4.659 . 0 0 "[ . 1 .]" 2
22 1 6 PRO QB 1 7 PRO QG 4.000 . 5.000 3.871 3.060 4.204 . 0 0 "[ . 1 .]" 2
23 1 6 PRO QB 1 9 GLN HE21 4.000 . 5.000 3.224 1.968 4.302 . 0 0 "[ . 1 .]" 2
24 1 6 PRO QB 1 9 GLN HE22 4.000 . 5.000 3.979 3.341 5.037 0.037 3 0 "[ . 1 .]" 2
25 1 6 PRO QG 1 9 GLN QB 4.000 . 5.000 3.443 2.384 5.042 0.042 10 0 "[ . 1 .]" 2
26 1 6 PRO QG 1 9 GLN QG 4.000 . 5.000 3.257 2.545 4.021 . 0 0 "[ . 1 .]" 2
27 1 6 PRO QG 1 9 GLN HE21 4.000 . 5.000 3.759 2.313 5.093 0.093 9 0 "[ . 1 .]" 2
28 1 6 PRO QG 1 9 GLN HE22 4.000 . 5.000 4.357 3.428 5.042 0.042 13 0 "[ . 1 .]" 2
29 1 6 PRO QD 1 9 GLN H 4.000 . 5.000 4.561 4.090 5.006 0.006 3 0 "[ . 1 .]" 2
30 1 6 PRO QD 1 9 GLN QB 4.000 . 5.000 2.411 1.754 3.883 0.046 15 0 "[ . 1 .]" 2
31 1 6 PRO QD 1 9 GLN QG 4.000 . 5.000 2.319 1.817 2.754 . 0 0 "[ . 1 .]" 2
32 1 6 PRO QD 1 9 GLN HE21 4.000 . 5.000 3.845 2.735 4.841 . 0 0 "[ . 1 .]" 2
33 1 6 PRO QD 1 9 GLN HE22 4.000 . 5.000 4.856 4.231 5.097 0.097 15 0 "[ . 1 .]" 2
34 1 6 PRO QD 1 10 PHE H 4.000 . 5.000 4.876 4.455 5.084 0.084 5 0 "[ . 1 .]" 2
35 1 6 PRO QD 1 17 CYS QB 4.000 . 5.000 4.281 3.417 4.826 . 0 0 "[ . 1 .]" 2
36 1 8 ASN HA 1 8 ASN HD22 4.000 . 5.000 4.314 3.503 5.105 0.105 12 0 "[ . 1 .]" 2
37 1 8 ASN HA 1 9 GLN H 3.000 . 3.300 3.078 2.897 3.324 0.024 9 0 "[ . 1 .]" 2
38 1 8 ASN HA 1 9 GLN HE22 4.000 . 5.000 5.045 4.861 5.150 0.150 2 0 "[ . 1 .]" 2
39 1 8 ASN HA 1 20 ILE H 4.000 . 5.000 4.416 4.022 4.964 . 0 0 "[ . 1 .]" 2
40 1 8 ASN QB 1 20 ILE H 4.000 . 5.000 4.793 4.419 5.087 0.087 5 0 "[ . 1 .]" 2
41 1 8 ASN HD21 1 19 PRO HA 4.000 . 5.000 4.558 3.821 5.069 0.069 13 0 "[ . 1 .]" 2
42 1 8 ASN HD22 1 9 GLN HE22 4.000 . 5.000 4.272 1.792 5.014 0.014 6 0 "[ . 1 .]" 2
43 1 9 GLN H 1 9 GLN QG 4.000 . 5.000 3.840 2.249 4.278 . 0 0 "[ . 1 .]" 2
44 1 9 GLN H 1 9 GLN HE22 4.000 . 5.000 4.480 3.849 4.850 . 0 0 "[ . 1 .]" 2
45 1 9 GLN H 1 10 PHE QB 4.000 . 5.000 5.071 5.001 5.274 0.274 2 0 "[ . 1 .]" 2
46 1 9 GLN H 1 19 PRO HA 4.000 . 5.000 4.916 4.609 5.121 0.121 8 0 "[ . 1 .]" 2
47 1 9 GLN H 1 20 ILE H 4.000 . 5.000 4.305 3.887 4.532 . 0 0 "[ . 1 .]" 2
48 1 9 GLN H 1 20 ILE HB 4.000 . 5.000 4.533 3.110 5.130 0.130 13 0 "[ . 1 .]" 2
49 1 9 GLN H 1 20 ILE MG 4.000 . 5.500 5.036 3.359 5.532 0.032 8 0 "[ . 1 .]" 2
50 1 9 GLN H 1 20 ILE QG 4.000 . 5.000 3.469 2.751 5.082 0.082 3 0 "[ . 1 .]" 2
51 1 9 GLN H 1 20 ILE MD 4.000 . 5.400 3.662 2.836 4.319 . 0 0 "[ . 1 .]" 2
52 1 9 GLN HA 1 9 GLN HE22 4.000 . 5.000 4.184 3.585 4.863 . 0 0 "[ . 1 .]" 2
53 1 9 GLN HA 1 10 PHE H 3.000 . 3.300 2.425 2.188 2.786 . 0 0 "[ . 1 .]" 2
54 1 9 GLN HA 1 20 ILE H 3.000 . 3.300 2.152 1.795 2.517 0.005 3 0 "[ . 1 .]" 2
55 1 9 GLN QB 1 9 GLN HE21 4.000 . 5.000 1.972 1.713 3.339 0.087 6 0 "[ . 1 .]" 2
56 1 9 GLN QB 1 9 GLN HE22 4.000 . 5.000 3.355 3.107 3.863 . 0 0 "[ . 1 .]" 2
57 1 9 GLN QB 1 10 PHE QB 4.000 . 5.000 4.432 3.874 4.855 . 0 0 "[ . 1 .]" 2
58 1 9 GLN QB 1 17 CYS QB 4.000 . 5.000 4.837 4.083 5.134 0.134 2 0 "[ . 1 .]" 2
59 1 9 GLN QB 1 18 ILE H 4.000 . 5.000 4.193 3.356 4.615 . 0 0 "[ . 1 .]" 2
60 1 9 GLN QB 1 19 PRO HA 4.000 . 5.000 3.437 1.894 4.091 . 0 0 "[ . 1 .]" 2
61 1 9 GLN QB 1 20 ILE H 4.000 . 5.000 4.180 3.142 4.642 . 0 0 "[ . 1 .]" 2
62 1 9 GLN QG 1 10 PHE H 4.000 . 5.000 2.844 2.413 3.459 . 0 0 "[ . 1 .]" 2
63 1 9 GLN QG 1 10 PHE QB 4.000 . 5.000 4.717 4.430 5.024 0.024 5 0 "[ . 1 .]" 2
64 1 9 GLN QG 1 11 SER H 4.500 . 6.000 6.034 5.653 6.207 0.207 4 0 "[ . 1 .]" 2
65 1 9 GLN QG 1 17 CYS QB 4.000 . 5.000 4.243 3.330 5.008 0.008 2 0 "[ . 1 .]" 2
66 1 9 GLN QG 1 20 ILE H 4.000 . 5.000 4.117 3.458 5.061 0.061 9 0 "[ . 1 .]" 2
67 1 9 GLN HE21 1 19 PRO HA 4.000 . 5.000 3.864 2.108 4.748 . 0 0 "[ . 1 .]" 2
68 1 9 GLN HE21 1 19 PRO QB 4.000 . 5.000 4.723 2.561 5.140 0.140 2 0 "[ . 1 .]" 2
69 1 9 GLN HE22 1 19 PRO HA 4.000 . 5.000 4.191 2.992 5.025 0.025 9 0 "[ . 1 .]" 2
70 1 10 PHE H 1 17 CYS HA 4.000 . 5.000 4.515 4.144 4.869 . 0 0 "[ . 1 .]" 2
71 1 10 PHE H 1 18 ILE H 4.000 . 5.000 3.139 2.659 3.438 . 0 0 "[ . 1 .]" 2
72 1 10 PHE H 1 18 ILE MG 4.000 . 5.500 4.783 4.395 5.042 . 0 0 "[ . 1 .]" 2
73 1 10 PHE H 1 18 ILE QG 4.000 . 5.000 2.980 2.640 3.273 . 0 0 "[ . 1 .]" 2
74 1 10 PHE H 1 19 PRO HA 4.000 . 5.000 3.357 2.654 3.881 . 0 0 "[ . 1 .]" 2
75 1 10 PHE H 1 20 ILE H 4.000 . 5.000 3.781 3.258 4.189 . 0 0 "[ . 1 .]" 2
76 1 10 PHE H 1 20 ILE HA 4.000 . 5.000 4.127 3.588 4.801 . 0 0 "[ . 1 .]" 2
77 1 10 PHE HA 1 11 SER H 3.000 . 3.300 2.219 2.048 2.431 . 0 0 "[ . 1 .]" 2
78 1 10 PHE QB 1 18 ILE MG 4.000 . 5.500 4.408 4.008 4.724 . 0 0 "[ . 1 .]" 2
79 1 10 PHE QB 1 18 ILE QG 4.000 . 5.000 2.299 2.027 2.651 . 0 0 "[ . 1 .]" 2
80 1 10 PHE QB 1 18 ILE MD 4.000 . 5.400 2.559 1.772 3.465 0.028 3 0 "[ . 1 .]" 2
81 1 10 PHE QB 1 20 ILE H 4.000 . 5.000 4.123 3.786 4.483 . 0 0 "[ . 1 .]" 2
82 1 10 PHE QB 1 20 ILE HA 4.000 . 5.000 2.718 1.835 3.622 . 0 0 "[ . 1 .]" 2
83 1 10 PHE QB 1 20 ILE QG 4.000 . 5.000 2.656 1.743 3.834 0.057 7 0 "[ . 1 .]" 2
84 1 10 PHE QB 1 23 THR MG 4.000 . 5.500 2.718 2.374 3.069 . 0 0 "[ . 1 .]" 2
85 1 10 PHE QB 1 48 LEU QD 4.000 . 5.500 4.606 3.909 5.283 . 0 0 "[ . 1 .]" 2
86 1 10 PHE QD 1 11 SER H 4.000 . 5.000 2.906 2.224 3.341 . 0 0 "[ . 1 .]" 2
87 1 10 PHE QD 1 12 CYS H 4.000 . 5.000 4.192 3.716 4.637 . 0 0 "[ . 1 .]" 2
88 1 10 PHE QD 1 18 ILE H 4.000 . 5.000 4.272 3.872 4.592 . 0 0 "[ . 1 .]" 2
89 1 10 PHE QD 1 18 ILE MG 3.000 . 3.800 3.787 3.488 3.965 0.165 9 0 "[ . 1 .]" 2
90 1 10 PHE QD 1 18 ILE QG 3.000 . 3.300 2.196 1.917 2.595 . 0 0 "[ . 1 .]" 2
91 1 10 PHE QD 1 18 ILE MD 3.000 . 3.700 2.010 1.771 2.690 0.029 7 0 "[ . 1 .]" 2
92 1 10 PHE QD 1 20 ILE HA 4.000 . 5.000 4.521 3.944 5.070 0.070 9 0 "[ . 1 .]" 2
93 1 10 PHE QD 1 20 ILE QG 4.000 . 5.000 4.388 3.175 5.055 0.055 10 0 "[ . 1 .]" 2
94 1 10 PHE QD 1 20 ILE MD 3.000 . 3.700 3.453 2.846 3.860 0.160 13 0 "[ . 1 .]" 2
95 1 10 PHE QD 1 23 THR H 4.000 . 5.000 4.960 3.863 5.242 0.242 5 0 "[ . 1 .]" 2
96 1 10 PHE QD 1 23 THR MG 3.000 . 3.800 2.705 2.054 3.402 . 0 0 "[ . 1 .]" 2
97 1 10 PHE QD 1 35 ASP QB 4.000 . 5.000 4.729 3.616 5.310 0.310 15 0 "[ . 1 .]" 2
98 1 10 PHE QE 1 13 ALA H 4.000 . 5.000 4.824 4.250 5.054 0.054 4 0 "[ . 1 .]" 2
99 1 10 PHE QE 1 18 ILE MG 4.000 . 5.500 4.739 4.334 5.012 . 0 0 "[ . 1 .]" 2
100 1 10 PHE QE 1 18 ILE QG 4.000 . 5.000 3.961 3.393 4.532 . 0 0 "[ . 1 .]" 2
101 1 10 PHE QE 1 18 ILE MD 4.000 . 5.400 3.585 2.939 4.332 . 0 0 "[ . 1 .]" 2
102 1 10 PHE QE 1 23 THR MG 4.000 . 5.500 3.271 2.744 4.038 . 0 0 "[ . 1 .]" 2
103 1 10 PHE QE 1 35 ASP HA 4.500 . 6.000 4.489 3.048 5.521 . 0 0 "[ . 1 .]" 2
104 1 10 PHE QE 1 35 ASP QB 4.000 . 5.000 3.315 2.145 4.245 . 0 0 "[ . 1 .]" 2
105 1 10 PHE QE 1 39 SER QB 4.000 . 5.000 4.597 3.011 5.159 0.159 5 0 "[ . 1 .]" 2
106 1 10 PHE HZ 1 13 ALA H 4.000 . 5.000 5.095 5.014 5.240 0.240 1 0 "[ . 1 .]" 2
107 1 10 PHE HZ 1 35 ASP HA 4.000 . 5.000 4.408 2.205 5.214 0.214 15 0 "[ . 1 .]" 2
108 1 10 PHE HZ 1 35 ASP QB 4.000 . 5.000 4.115 2.560 5.151 0.151 14 0 "[ . 1 .]" 2
109 1 11 SER H 1 11 SER HA 2.400 . 2.700 2.894 2.881 2.905 0.205 9 0 "[ . 1 .]" 2
110 1 11 SER H 1 17 CYS HA 4.000 . 5.000 4.780 4.355 5.071 0.071 3 0 "[ . 1 .]" 2
111 1 11 SER H 1 18 ILE MG 4.000 . 5.500 5.700 5.538 5.878 0.378 13 0 "[ . 1 .]" 2
112 1 11 SER H 1 18 ILE QG 4.000 . 5.000 4.616 4.246 5.043 0.043 6 0 "[ . 1 .]" 2
113 1 11 SER HA 1 12 CYS H 3.000 . 3.300 2.113 2.009 2.176 . 0 0 "[ . 1 .]" 2
114 1 11 SER HA 1 16 ARG H 4.000 . 5.000 4.841 4.402 5.125 0.125 7 0 "[ . 1 .]" 2
115 1 11 SER HA 1 17 CYS H 4.000 . 5.000 4.574 3.967 5.002 0.002 7 0 "[ . 1 .]" 2
116 1 11 SER QB 1 18 ILE H 4.000 . 5.000 4.814 4.367 5.075 0.075 7 0 "[ . 1 .]" 2
117 1 12 CYS H 1 12 CYS HA 2.400 . 2.700 2.799 2.773 2.842 0.142 2 0 "[ . 1 .]" 2
118 1 12 CYS H 1 16 ARG H 4.000 . 5.000 3.967 3.591 4.257 . 0 0 "[ . 1 .]" 2
119 1 12 CYS H 1 16 ARG HA 4.000 . 5.000 4.834 4.626 5.006 0.006 10 0 "[ . 1 .]" 2
120 1 12 CYS H 1 16 ARG QB 4.000 . 5.000 2.808 2.244 3.162 . 0 0 "[ . 1 .]" 2
121 1 12 CYS H 1 17 CYS HA 4.000 . 5.000 3.339 2.959 3.678 . 0 0 "[ . 1 .]" 2
122 1 12 CYS H 1 17 CYS QB 4.000 . 5.000 5.054 4.898 5.140 0.140 4 0 "[ . 1 .]" 2
123 1 12 CYS HA 1 13 ALA H 3.000 . 3.300 2.518 2.172 3.388 0.088 1 0 "[ . 1 .]" 2
124 1 12 CYS QB 1 13 ALA H 4.000 . 5.000 3.014 1.713 3.561 0.087 1 0 "[ . 1 .]" 2
125 1 12 CYS QB 1 14 SER H 4.500 . 6.000 5.241 4.018 5.962 . 0 0 "[ . 1 .]" 2
126 1 12 CYS QB 1 15 GLY H 4.000 . 5.000 4.770 3.702 5.128 0.128 1 0 "[ . 1 .]" 2
127 1 12 CYS QB 1 16 ARG H 3.000 . 3.300 3.147 2.591 3.490 0.190 1 0 "[ . 1 .]" 2
128 1 12 CYS QB 1 17 CYS H 4.000 . 5.000 4.254 3.697 5.020 0.020 13 0 "[ . 1 .]" 2
129 1 12 CYS QB 1 30 CYS QB 4.000 . 5.000 3.794 2.911 4.266 . 0 0 "[ . 1 .]" 2
130 1 13 ALA H 1 14 SER H 4.000 . 5.000 4.011 3.186 4.566 . 0 0 "[ . 1 .]" 2
131 1 13 ALA HA 1 14 SER H 3.000 . 3.300 2.249 2.128 2.810 . 0 0 "[ . 1 .]" 2
132 1 13 ALA HA 1 14 SER HA 4.000 . 5.000 4.398 4.197 4.826 . 0 0 "[ . 1 .]" 2
133 1 13 ALA HA 1 14 SER QB 4.000 . 5.000 4.306 4.192 4.493 . 0 0 "[ . 1 .]" 2
134 1 13 ALA HA 1 15 GLY H 4.000 . 5.000 4.832 4.054 5.129 0.129 2 0 "[ . 1 .]" 2
135 1 13 ALA MB 1 14 SER HA 4.000 . 5.500 4.930 4.659 5.067 . 0 0 "[ . 1 .]" 2
136 1 13 ALA MB 1 14 SER QB 4.000 . 5.500 3.998 3.554 4.749 . 0 0 "[ . 1 .]" 2
137 1 13 ALA MB 1 15 GLY H 4.000 . 5.500 4.714 3.122 5.397 . 0 0 "[ . 1 .]" 2
138 1 13 ALA MB 1 15 GLY QA 4.000 . 5.500 5.108 3.791 5.591 0.091 14 0 "[ . 1 .]" 2
139 1 13 ALA MB 1 16 ARG H 4.000 . 5.500 4.685 3.171 5.244 . 0 0 "[ . 1 .]" 2
140 1 13 ALA MB 1 16 ARG QD 3.000 . 3.800 3.865 3.599 3.993 0.193 6 0 "[ . 1 .]" 2
141 1 14 SER H 1 15 GLY H 4.000 . 5.000 3.388 2.796 4.144 . 0 0 "[ . 1 .]" 2
142 1 14 SER H 1 15 GLY QA 4.000 . 5.000 4.969 4.710 5.079 0.079 15 0 "[ . 1 .]" 2
143 1 14 SER H 1 16 ARG H 4.000 . 5.000 4.545 3.796 5.004 0.004 15 0 "[ . 1 .]" 2
144 1 15 GLY H 1 16 ARG H 3.000 . 3.300 2.299 2.051 2.498 . 0 0 "[ . 1 .]" 2
145 1 16 ARG H 1 16 ARG QG 4.000 . 5.000 3.322 2.743 3.990 . 0 0 "[ . 1 .]" 2
146 1 16 ARG H 1 16 ARG QD 4.000 . 5.000 2.393 1.790 4.428 0.010 6 0 "[ . 1 .]" 2
147 1 16 ARG H 1 17 CYS H 4.000 . 5.000 4.537 4.470 4.577 . 0 0 "[ . 1 .]" 2
148 1 16 ARG H 1 18 ILE MG 4.000 . 5.500 5.386 4.645 5.643 0.143 6 0 "[ . 1 .]" 2
149 1 16 ARG HA 1 16 ARG QD 4.000 . 5.000 3.389 3.069 4.160 . 0 0 "[ . 1 .]" 2
150 1 16 ARG HA 1 17 CYS H 2.400 . 2.700 2.429 2.132 2.671 . 0 0 "[ . 1 .]" 2
151 1 16 ARG HA 1 17 CYS QB 4.000 . 5.000 3.778 3.667 3.994 . 0 0 "[ . 1 .]" 2
152 1 16 ARG QG 1 17 CYS H 4.000 . 5.000 3.729 2.568 3.918 . 0 0 "[ . 1 .]" 2
153 1 16 ARG QG 1 18 ILE MG 4.000 . 5.500 3.959 2.255 4.529 . 0 0 "[ . 1 .]" 2
154 1 16 ARG QD 1 17 CYS H 4.000 . 5.000 4.855 4.637 5.104 0.104 2 0 "[ . 1 .]" 2
155 1 16 ARG QD 1 18 ILE MG 4.000 . 5.500 4.661 3.104 5.296 . 0 0 "[ . 1 .]" 2
156 1 17 CYS H 1 18 ILE H 4.000 . 5.000 3.812 3.451 4.088 . 0 0 "[ . 1 .]" 2
157 1 17 CYS H 1 18 ILE MG 4.000 . 5.500 3.067 2.798 3.298 . 0 0 "[ . 1 .]" 2
158 1 17 CYS H 1 18 ILE QG 4.000 . 5.000 5.120 5.017 5.217 0.217 1 0 "[ . 1 .]" 2
159 1 17 CYS HA 1 18 ILE H 3.000 . 3.300 2.162 2.116 2.234 . 0 0 "[ . 1 .]" 2
160 1 17 CYS HA 1 18 ILE MG 4.000 . 5.500 3.453 3.307 3.646 . 0 0 "[ . 1 .]" 2
161 1 17 CYS HA 1 18 ILE QG 4.000 . 5.000 4.082 3.903 4.356 . 0 0 "[ . 1 .]" 2
162 1 17 CYS QB 1 18 ILE H 4.000 . 5.000 3.865 3.697 3.977 . 0 0 "[ . 1 .]" 2
163 1 18 ILE H 1 18 ILE QG 4.000 . 5.000 2.249 2.102 2.424 . 0 0 "[ . 1 .]" 2
164 1 18 ILE H 1 18 ILE MD 3.000 . 3.700 3.825 3.611 3.954 0.254 11 0 "[ . 1 .]" 2
165 1 18 ILE HB 1 29 ASP QB 4.000 . 5.000 4.635 2.935 5.190 0.190 4 0 "[ . 1 .]" 2
166 1 18 ILE MG 1 22 TRP HE3 4.000 . 5.500 4.125 2.762 5.214 . 0 0 "[ . 1 .]" 2
167 1 18 ILE MG 1 23 THR MG 4.000 . 5.500 5.183 4.363 5.616 0.116 12 0 "[ . 1 .]" 2
168 1 18 ILE MG 1 29 ASP QB 4.000 . 5.500 3.448 1.855 4.557 . 0 0 "[ . 1 .]" 2
169 1 18 ILE QG 1 22 TRP HE3 4.000 . 5.000 4.889 3.685 5.122 0.122 7 0 "[ . 1 .]" 2
170 1 18 ILE QG 1 23 THR MG 4.000 . 5.500 3.757 2.995 4.238 . 0 0 "[ . 1 .]" 2
171 1 18 ILE MD 1 22 TRP H 4.000 . 5.400 3.472 2.783 4.428 . 0 0 "[ . 1 .]" 2
172 1 18 ILE MD 1 22 TRP QB 4.000 . 5.400 1.981 1.685 4.701 0.115 8 0 "[ . 1 .]" 2
173 1 18 ILE MD 1 22 TRP HE3 4.000 . 5.400 3.355 1.956 4.040 . 0 0 "[ . 1 .]" 2
174 1 18 ILE MD 1 22 TRP HE1 4.000 . 5.400 5.504 4.948 5.696 0.296 2 0 "[ . 1 .]" 2
175 1 18 ILE MD 1 23 THR MG 3.000 . 3.700 2.590 1.719 3.303 0.081 9 0 "[ . 1 .]" 2
176 1 18 ILE MD 1 29 ASP H 4.000 . 5.400 5.254 4.027 5.679 0.279 1 0 "[ . 1 .]" 2
177 1 18 ILE MD 1 29 ASP QB 4.000 . 5.400 3.040 2.087 3.858 . 0 0 "[ . 1 .]" 2
178 1 18 ILE MD 1 30 CYS H 4.000 . 5.400 4.291 3.054 5.300 . 0 0 "[ . 1 .]" 2
179 1 18 ILE MD 1 35 ASP QB 4.000 . 5.400 4.542 3.611 5.213 . 0 0 "[ . 1 .]" 2
180 1 19 PRO HA 1 20 ILE H 2.400 . 2.700 2.259 2.179 2.378 . 0 0 "[ . 1 .]" 2
181 1 19 PRO HA 1 20 ILE MG 4.000 . 5.500 5.178 4.104 5.546 0.046 4 0 "[ . 1 .]" 2
182 1 19 PRO QB 1 20 ILE MG 4.000 . 5.500 4.993 4.024 5.581 0.081 15 0 "[ . 1 .]" 2
183 1 19 PRO QB 1 22 TRP H 4.000 . 5.000 4.496 3.468 5.120 0.120 7 0 "[ . 1 .]" 2
184 1 19 PRO QB 1 22 TRP HD1 4.000 . 5.000 3.171 2.252 5.049 0.049 9 0 "[ . 1 .]" 2
185 1 19 PRO QB 1 22 TRP HE1 4.000 . 5.000 2.830 2.214 4.014 . 0 0 "[ . 1 .]" 2
186 1 19 PRO QB 1 22 TRP HZ2 4.000 . 5.000 4.409 3.737 5.042 0.042 4 0 "[ . 1 .]" 2
187 1 20 ILE H 1 20 ILE HB 3.000 . 3.300 2.493 2.189 2.818 . 0 0 "[ . 1 .]" 2
188 1 20 ILE H 1 20 ILE MG 3.000 . 3.800 3.379 2.206 3.816 0.016 1 0 "[ . 1 .]" 2
189 1 20 ILE H 1 20 ILE QG 4.000 . 5.000 2.707 2.019 4.111 . 0 0 "[ . 1 .]" 2
190 1 20 ILE H 1 20 ILE MD 4.000 . 5.400 3.786 3.467 4.378 . 0 0 "[ . 1 .]" 2
191 1 20 ILE H 1 23 THR MG 4.000 . 5.500 5.336 4.519 5.757 0.257 12 0 "[ . 1 .]" 2
192 1 20 ILE HA 1 20 ILE MD 3.000 . 3.700 2.792 1.791 3.818 0.118 7 0 "[ . 1 .]" 2
193 1 20 ILE HA 1 22 TRP H 4.000 . 5.000 3.064 2.782 3.488 . 0 0 "[ . 1 .]" 2
194 1 20 ILE HA 1 23 THR H 4.000 . 5.000 4.015 3.441 4.761 . 0 0 "[ . 1 .]" 2
195 1 20 ILE HA 1 23 THR MG 3.000 . 3.800 2.987 2.132 3.331 . 0 0 "[ . 1 .]" 2
196 1 20 ILE HB 1 21 SER QB 4.000 . 5.000 4.814 4.344 5.098 0.098 13 0 "[ . 1 .]" 2
197 1 20 ILE HB 1 22 TRP H 4.000 . 5.000 5.147 4.843 5.357 0.357 9 0 "[ . 1 .]" 2
198 1 20 ILE HB 1 23 THR MG 4.000 . 5.500 5.060 4.134 5.674 0.174 10 0 "[ . 1 .]" 2
199 1 20 ILE HB 1 49 THR MG 4.000 . 5.500 5.339 4.600 5.783 0.283 13 0 "[ . 1 .]" 2
200 1 20 ILE MG 1 21 SER HA 4.000 . 5.500 3.567 2.907 4.232 . 0 0 "[ . 1 .]" 2
201 1 20 ILE MG 1 21 SER QB 4.000 . 5.500 3.760 2.469 5.069 . 0 0 "[ . 1 .]" 2
202 1 20 ILE QG 1 23 THR MG 4.000 . 5.500 3.954 2.778 4.865 . 0 0 "[ . 1 .]" 2
203 1 21 SER HA 1 22 TRP H 3.000 . 3.300 3.182 3.028 3.347 0.047 10 0 "[ . 1 .]" 2
204 1 21 SER HA 1 48 LEU QD 4.000 . 5.500 3.084 1.704 5.166 0.096 9 0 "[ . 1 .]" 2
205 1 21 SER QB 1 22 TRP QB 4.000 . 5.000 4.705 3.843 5.106 0.106 14 0 "[ . 1 .]" 2
206 1 21 SER QB 1 22 TRP HD1 4.000 . 5.000 2.601 1.866 3.478 . 0 0 "[ . 1 .]" 2
207 1 22 TRP H 1 22 TRP HD1 3.000 . 3.300 2.670 1.993 3.355 0.055 7 0 "[ . 1 .]" 2
208 1 22 TRP H 1 22 TRP HE1 4.000 . 5.000 5.030 4.548 5.307 0.307 14 0 "[ . 1 .]" 2
209 1 22 TRP H 1 23 THR H 3.000 . 3.300 2.273 1.892 2.749 . 0 0 "[ . 1 .]" 2
210 1 22 TRP H 1 23 THR MG 4.000 . 5.500 3.157 2.687 3.452 . 0 0 "[ . 1 .]" 2
211 1 22 TRP H 1 48 LEU QB 4.000 . 5.000 5.199 5.090 5.417 0.417 10 0 "[ . 1 .]" 2
212 1 22 TRP H 1 48 LEU QD 4.000 . 5.500 4.434 3.362 5.666 0.166 7 0 "[ . 1 .]" 2
213 1 22 TRP HA 1 22 TRP HD1 4.000 . 5.000 3.156 2.361 4.167 . 0 0 "[ . 1 .]" 2
214 1 22 TRP HA 1 23 THR H 3.000 . 3.300 3.314 2.984 3.524 0.224 15 0 "[ . 1 .]" 2
215 1 22 TRP QB 1 23 THR H 4.000 . 5.000 3.136 2.132 4.047 . 0 0 "[ . 1 .]" 2
216 1 22 TRP HE3 1 29 ASP QB 4.000 . 5.000 3.575 1.798 4.747 0.002 9 0 "[ . 1 .]" 2
217 1 23 THR H 1 23 THR MG 3.000 . 3.800 2.087 1.742 2.354 0.058 10 0 "[ . 1 .]" 2
218 1 23 THR H 1 24 CYS QB 4.000 . 5.000 4.900 4.400 5.380 0.380 2 0 "[ . 1 .]" 2
219 1 23 THR H 1 48 LEU QD 4.000 . 5.500 4.485 3.229 5.354 . 0 0 "[ . 1 .]" 2
220 1 23 THR HA 1 24 CYS H 3.000 . 3.300 3.399 2.763 3.534 0.234 10 0 "[ . 1 .]" 2
221 1 23 THR HA 1 35 ASP QB 4.000 . 5.000 2.984 2.176 4.395 . 0 0 "[ . 1 .]" 2
222 1 23 THR HB 1 24 CYS H 4.000 . 5.000 3.079 1.755 4.078 0.045 5 0 "[ . 1 .]" 2
223 1 23 THR HB 1 35 ASP HA 4.000 . 5.000 4.688 2.781 5.198 0.198 13 0 "[ . 1 .]" 2
224 1 23 THR HB 1 35 ASP QB 4.000 . 5.000 3.271 2.177 4.741 . 0 0 "[ . 1 .]" 2
225 1 23 THR MG 1 24 CYS H 4.000 . 5.500 3.046 1.742 3.939 0.058 3 0 "[ . 1 .]" 2
226 1 23 THR MG 1 35 ASP HA 4.000 . 5.500 4.997 3.039 5.627 0.127 11 0 "[ . 1 .]" 2
227 1 23 THR MG 1 35 ASP QB 4.000 . 5.500 3.665 2.198 4.540 . 0 0 "[ . 1 .]" 2
228 1 23 THR MG 1 48 LEU QD 3.000 . 3.800 3.591 2.281 4.125 0.325 13 0 "[ . 1 .]" 2
229 1 24 CYS H 1 24 CYS HA 2.400 . 2.700 2.827 2.576 2.889 0.189 8 0 "[ . 1 .]" 2
230 1 24 CYS H 1 35 ASP QB 4.000 . 5.000 4.713 4.350 5.096 0.096 6 0 "[ . 1 .]" 2
231 1 24 CYS H 1 42 TYR QE 4.000 . 5.000 5.065 4.517 5.332 0.332 4 0 "[ . 1 .]" 2
232 1 24 CYS HA 1 40 CYS H 4.000 . 5.000 5.092 4.688 5.306 0.306 10 0 "[ . 1 .]" 2
233 1 24 CYS QB 1 40 CYS H 4.000 . 5.000 4.365 3.136 5.161 0.161 14 0 "[ . 1 .]" 2
234 1 24 CYS QB 1 40 CYS QB 4.000 . 5.000 2.465 1.763 3.671 0.037 7 0 "[ . 1 .]" 2
235 1 25 ASP H 1 26 LEU H 3.000 . 3.300 2.206 1.676 2.968 0.124 7 0 "[ . 1 .]" 2
236 1 25 ASP H 1 26 LEU HA 4.000 . 5.000 4.262 3.896 4.683 . 0 0 "[ . 1 .]" 2
237 1 25 ASP H 1 26 LEU QD 4.000 . 5.500 4.804 4.243 5.511 0.011 10 0 "[ . 1 .]" 2
238 1 25 ASP H 1 27 ASP H 4.000 . 5.000 3.608 2.778 4.798 . 0 0 "[ . 1 .]" 2
239 1 25 ASP H 1 42 TYR QE 4.000 . 5.000 4.244 3.377 4.936 . 0 0 "[ . 1 .]" 2
240 1 26 LEU H 1 26 LEU HG 4.000 . 5.000 3.460 3.122 4.765 . 0 0 "[ . 1 .]" 2
241 1 26 LEU H 1 26 LEU QD 4.000 . 5.500 3.376 2.907 4.082 . 0 0 "[ . 1 .]" 2
242 1 26 LEU H 1 27 ASP H 4.000 . 5.000 2.424 1.746 3.182 0.054 2 0 "[ . 1 .]" 2
243 1 26 LEU H 1 27 ASP QB 4.000 . 5.000 4.610 3.478 5.186 0.186 1 0 "[ . 1 .]" 2
244 1 26 LEU H 1 42 TYR QE 4.000 . 5.000 4.271 3.617 5.107 0.107 2 0 "[ . 1 .]" 2
245 1 26 LEU HA 1 42 TYR QE 4.000 . 5.000 4.482 2.945 5.068 0.068 6 0 "[ . 1 .]" 2
246 1 26 LEU QB 1 27 ASP H 4.000 . 5.000 3.567 2.627 3.926 . 0 0 "[ . 1 .]" 2
247 1 26 LEU QB 1 27 ASP QB 4.000 . 5.000 3.824 3.007 4.447 . 0 0 "[ . 1 .]" 2
248 1 26 LEU QB 1 57 ARG QG 4.000 . 5.000 4.974 4.122 5.215 0.215 10 0 "[ . 1 .]" 2
249 1 26 LEU QB 1 58 CYS H 4.000 . 5.000 3.803 2.732 5.184 0.184 4 0 "[ . 1 .]" 2
250 1 26 LEU HG 1 27 ASP H 4.000 . 5.000 4.955 4.475 5.088 0.088 14 0 "[ . 1 .]" 2
251 1 26 LEU HG 1 42 TYR QD 4.000 . 5.000 5.022 4.722 5.138 0.138 8 0 "[ . 1 .]" 2
252 1 26 LEU HG 1 42 TYR QE 4.000 . 5.000 3.358 2.509 4.922 . 0 0 "[ . 1 .]" 2
253 1 26 LEU QD 1 27 ASP H 4.000 . 5.500 4.207 3.683 4.444 . 0 0 "[ . 1 .]" 2
254 1 26 LEU QD 1 42 TYR QB 4.000 . 5.500 5.214 4.488 5.700 0.200 2 0 "[ . 1 .]" 2
255 1 26 LEU QD 1 42 TYR QD 4.000 . 5.500 4.142 3.711 4.483 . 0 0 "[ . 1 .]" 2
256 1 26 LEU QD 1 42 TYR QE 3.000 . 3.800 2.996 2.396 3.838 0.038 11 0 "[ . 1 .]" 2
257 1 26 LEU QD 1 57 ARG H 4.000 . 5.500 4.976 4.117 5.717 0.217 14 0 "[ . 1 .]" 2
258 1 26 LEU QD 1 57 ARG HA 4.000 . 5.500 2.770 1.830 3.759 . 0 0 "[ . 1 .]" 2
259 1 26 LEU QD 1 57 ARG QB 4.000 . 5.500 3.123 2.388 3.770 . 0 0 "[ . 1 .]" 2
260 1 26 LEU QD 1 57 ARG QG 4.000 . 5.500 3.512 2.864 4.465 . 0 0 "[ . 1 .]" 2
261 1 26 LEU QD 1 57 ARG QD 4.000 . 5.500 4.754 3.986 5.501 0.001 5 0 "[ . 1 .]" 2
262 1 26 LEU QD 1 58 CYS H 4.000 . 5.500 2.126 1.760 2.711 0.040 6 0 "[ . 1 .]" 2
263 1 29 ASP H 1 30 CYS H 4.000 . 5.000 3.383 1.986 4.579 . 0 0 "[ . 1 .]" 2
264 1 29 ASP HA 1 30 CYS H 3.000 . 3.300 3.284 2.651 3.546 0.246 1 0 "[ . 1 .]" 2
265 1 30 CYS H 1 31 GLY H 4.000 . 5.000 2.435 1.670 4.171 0.130 3 0 "[ . 1 .]" 2
266 1 30 CYS H 1 31 GLY QA 4.000 . 5.000 3.838 3.423 4.300 . 0 0 "[ . 1 .]" 2
267 1 30 CYS H 1 32 ASP H 4.000 . 5.000 5.012 4.164 5.311 0.311 5 0 "[ . 1 .]" 2
268 1 30 CYS QB 1 31 GLY H 4.000 . 5.000 3.405 2.242 4.012 . 0 0 "[ . 1 .]" 2
269 1 30 CYS QB 1 32 ASP H 4.000 . 5.000 4.274 3.307 5.064 0.064 10 0 "[ . 1 .]" 2
270 1 30 CYS QB 1 33 ARG H 4.000 . 5.000 3.577 2.099 4.879 . 0 0 "[ . 1 .]" 2
271 1 30 CYS QB 1 33 ARG QB 4.000 . 5.000 4.450 2.317 5.190 0.190 5 0 "[ . 1 .]" 2
272 1 30 CYS QB 1 33 ARG QG 4.000 . 5.000 4.685 3.599 5.248 0.248 6 0 "[ . 1 .]" 2
273 1 30 CYS QB 1 34 SER H 4.000 . 5.000 4.941 4.469 5.189 0.189 14 0 "[ . 1 .]" 2
274 1 30 CYS QB 1 35 ASP H 4.000 . 5.000 4.504 3.073 5.346 0.346 10 0 "[ . 1 .]" 2
275 1 31 GLY H 1 32 ASP H 4.000 . 5.000 3.206 1.863 4.222 . 0 0 "[ . 1 .]" 2
276 1 31 GLY H 1 35 ASP QB 4.000 . 5.000 3.206 1.733 5.002 0.067 7 0 "[ . 1 .]" 2
277 1 32 ASP H 1 33 ARG H 3.000 . 3.300 2.343 1.729 2.967 0.071 4 0 "[ . 1 .]" 2
278 1 32 ASP H 1 33 ARG QB 4.000 . 5.000 4.604 3.833 5.026 0.026 9 0 "[ . 1 .]" 2
279 1 32 ASP H 1 33 ARG QG 4.500 . 6.000 5.023 3.364 6.037 0.037 7 0 "[ . 1 .]" 2
280 1 32 ASP H 1 34 SER H 4.500 . 6.000 3.421 2.005 5.398 . 0 0 "[ . 1 .]" 2
281 1 32 ASP H 1 35 ASP H 4.000 . 5.000 3.073 2.153 4.255 . 0 0 "[ . 1 .]" 2
282 1 32 ASP H 1 35 ASP QB 4.000 . 5.000 3.459 1.834 4.519 . 0 0 "[ . 1 .]" 2
283 1 32 ASP H 1 36 GLU H 4.000 . 5.000 4.757 3.558 5.246 0.246 11 0 "[ . 1 .]" 2
284 1 33 ARG H 1 33 ARG QG 4.000 . 5.000 3.403 1.861 4.280 . 0 0 "[ . 1 .]" 2
285 1 33 ARG H 1 34 SER H 4.000 . 5.000 2.711 1.665 3.863 0.135 14 0 "[ . 1 .]" 2
286 1 33 ARG HA 1 35 ASP H 4.000 . 5.000 4.450 3.656 5.110 0.110 12 0 "[ . 1 .]" 2
287 1 33 ARG QG 1 34 SER H 4.000 . 5.000 3.656 2.110 4.748 . 0 0 "[ . 1 .]" 2
288 1 33 ARG QG 1 35 ASP H 4.000 . 5.000 5.123 4.624 5.418 0.418 10 0 "[ . 1 .]" 2
289 1 34 SER H 1 35 ASP H 4.000 . 5.000 2.436 1.728 3.602 0.072 1 0 "[ . 1 .]" 2
290 1 34 SER H 1 35 ASP QB 4.000 . 5.000 4.571 3.540 5.151 0.151 15 0 "[ . 1 .]" 2
291 1 34 SER H 1 36 GLU H 4.000 . 5.000 3.963 3.087 4.971 . 0 0 "[ . 1 .]" 2
292 1 34 SER HA 1 36 GLU H 4.000 . 5.000 3.830 3.006 5.099 0.099 8 0 "[ . 1 .]" 2
293 1 34 SER QB 1 36 GLU H 4.000 . 5.000 3.782 2.818 5.071 0.071 9 0 "[ . 1 .]" 2
294 1 35 ASP H 1 36 GLU H 3.000 . 3.300 2.752 2.302 3.208 . 0 0 "[ . 1 .]" 2
295 1 35 ASP HA 1 36 GLU H 3.000 . 3.300 3.253 2.775 3.478 0.178 9 0 "[ . 1 .]" 2
296 1 35 ASP HA 1 37 SER H 4.000 . 5.000 4.115 3.140 5.104 0.104 11 0 "[ . 1 .]" 2
297 1 36 GLU H 1 36 GLU QG 3.000 . 3.300 2.907 2.270 3.493 0.193 8 0 "[ . 1 .]" 2
298 1 36 GLU H 1 37 SER H 4.000 . 5.000 2.963 2.035 4.118 . 0 0 "[ . 1 .]" 2
299 1 36 GLU HA 1 37 SER H 3.000 . 3.300 2.774 2.092 3.461 0.161 13 0 "[ . 1 .]" 2
300 1 36 GLU QG 1 37 SER H 4.000 . 5.000 4.396 1.799 4.841 0.001 13 0 "[ . 1 .]" 2
301 1 37 SER H 1 40 CYS QB 4.000 . 5.000 4.446 3.172 5.139 0.139 13 0 "[ . 1 .]" 2
302 1 37 SER HA 1 40 CYS H 4.000 . 5.000 4.417 3.473 5.132 0.132 14 0 "[ . 1 .]" 2
303 1 38 ALA HA 1 40 CYS H 4.000 . 5.000 4.953 4.295 5.308 0.308 10 0 "[ . 1 .]" 2
304 1 38 ALA MB 1 39 SER HA 4.000 . 5.500 4.125 3.893 4.471 . 0 0 "[ . 1 .]" 2
305 1 38 ALA MB 1 39 SER QB 4.000 . 5.500 4.025 3.171 4.731 . 0 0 "[ . 1 .]" 2
306 1 38 ALA MB 1 40 CYS H 4.000 . 5.500 4.853 3.869 5.460 . 0 0 "[ . 1 .]" 2
307 1 39 SER H 1 40 CYS H 4.000 . 5.000 2.222 1.980 2.468 . 0 0 "[ . 1 .]" 2
308 1 40 CYS H 1 41 ALA H 4.000 . 5.000 3.763 2.266 4.547 . 0 0 "[ . 1 .]" 2
309 1 40 CYS H 1 41 ALA MB 4.000 . 5.500 5.024 3.743 5.702 0.202 3 0 "[ . 1 .]" 2
310 1 40 CYS H 1 42 TYR QD 4.000 . 5.000 4.852 4.412 5.239 0.239 13 0 "[ . 1 .]" 2
311 1 40 CYS H 1 42 TYR QE 4.000 . 5.000 4.561 3.278 5.056 0.056 3 0 "[ . 1 .]" 2
312 1 40 CYS HA 1 41 ALA MB 4.000 . 5.500 4.115 3.963 4.629 . 0 0 "[ . 1 .]" 2
313 1 40 CYS HA 1 42 TYR H 4.000 . 5.000 3.941 3.298 5.138 0.138 11 0 "[ . 1 .]" 2
314 1 40 CYS QB 1 41 ALA H 4.000 . 5.000 3.205 1.964 3.866 . 0 0 "[ . 1 .]" 2
315 1 40 CYS QB 1 41 ALA MB 4.000 . 5.500 4.560 4.124 5.077 . 0 0 "[ . 1 .]" 2
316 1 40 CYS QB 1 42 TYR H 4.000 . 5.000 3.421 2.184 4.364 . 0 0 "[ . 1 .]" 2
317 1 40 CYS QB 1 42 TYR QE 4.000 . 5.000 2.470 1.750 4.150 0.050 1 0 "[ . 1 .]" 2
318 1 41 ALA H 1 42 TYR H 4.000 . 5.000 2.902 2.019 4.083 . 0 0 "[ . 1 .]" 2
319 1 41 ALA HA 1 42 TYR H 3.000 . 3.300 2.938 2.182 3.449 0.149 12 0 "[ . 1 .]" 2
320 1 41 ALA HA 1 42 TYR QD 4.000 . 5.000 4.266 3.501 4.793 . 0 0 "[ . 1 .]" 2
321 1 41 ALA MB 1 42 TYR QD 4.000 . 5.500 4.782 4.126 5.523 0.023 3 0 "[ . 1 .]" 2
322 1 42 TYR H 1 42 TYR QE 4.000 . 5.000 4.288 3.703 5.126 0.126 3 0 "[ . 1 .]" 2
323 1 42 TYR H 1 43 PRO QD 4.000 . 5.000 3.120 2.167 4.296 . 0 0 "[ . 1 .]" 2
324 1 42 TYR QB 1 43 PRO QD 4.000 . 5.000 3.586 2.864 3.871 . 0 0 "[ . 1 .]" 2
325 1 42 TYR QB 1 44 THR H 4.000 . 5.000 3.626 1.943 4.836 . 0 0 "[ . 1 .]" 2
326 1 42 TYR QD 1 43 PRO QD 4.000 . 5.000 4.100 3.383 4.625 . 0 0 "[ . 1 .]" 2
327 1 42 TYR QD 1 44 THR H 4.000 . 5.000 4.371 2.593 5.082 0.082 8 0 "[ . 1 .]" 2
328 1 42 TYR QD 1 45 CYS H 4.000 . 5.000 3.683 1.869 5.005 0.005 10 0 "[ . 1 .]" 2
329 1 43 PRO HA 1 44 THR MG 4.000 . 5.500 4.853 4.249 5.749 0.249 7 0 "[ . 1 .]" 2
330 1 43 PRO HA 1 45 CYS H 4.500 . 6.000 4.825 4.018 6.140 0.140 3 0 "[ . 1 .]" 2
331 1 44 THR H 1 45 CYS H 4.000 . 5.000 2.099 1.709 3.222 0.091 7 0 "[ . 1 .]" 2
332 1 44 THR HA 1 45 CYS H 3.000 . 3.300 3.026 2.211 3.518 0.218 12 0 "[ . 1 .]" 2
333 1 44 THR HA 1 45 CYS QB 4.000 . 5.000 4.407 4.065 4.920 . 0 0 "[ . 1 .]" 2
334 1 44 THR HB 1 45 CYS H 4.000 . 5.000 4.182 2.466 4.633 . 0 0 "[ . 1 .]" 2
335 1 44 THR MG 1 45 CYS H 3.000 . 3.800 3.456 1.685 4.165 0.365 6 0 "[ . 1 .]" 2
336 1 44 THR MG 1 46 PHE H 4.000 . 5.500 4.103 1.995 5.723 0.223 3 0 "[ . 1 .]" 2
337 1 44 THR MG 1 46 PHE QD 4.000 . 5.500 4.063 3.138 5.571 0.071 3 0 "[ . 1 .]" 2
338 1 44 THR MG 1 46 PHE QE 4.000 . 5.500 5.388 4.550 5.659 0.159 15 0 "[ . 1 .]" 2
339 1 45 CYS H 1 58 CYS QB 4.500 . 6.000 5.288 4.897 5.848 . 0 0 "[ . 1 .]" 2
340 1 45 CYS HA 1 46 PHE H 3.000 . 3.300 2.837 2.107 3.521 0.221 10 0 "[ . 1 .]" 2
341 1 45 CYS QB 1 46 PHE H 4.000 . 5.000 2.873 1.756 3.895 0.044 9 0 "[ . 1 .]" 2
342 1 45 CYS QB 1 46 PHE QB 4.000 . 5.000 3.943 3.185 5.023 0.023 3 0 "[ . 1 .]" 2
343 1 45 CYS QB 1 47 PRO QD 4.000 . 5.000 4.342 3.092 5.046 0.046 1 0 "[ . 1 .]" 2
344 1 45 CYS QB 1 50 GLN QB 4.000 . 5.000 3.617 2.878 5.251 0.251 14 0 "[ . 1 .]" 2
345 1 45 CYS QB 1 50 GLN QG 4.000 . 5.000 4.189 3.143 4.967 . 0 0 "[ . 1 .]" 2
346 1 45 CYS QB 1 50 GLN HE22 4.000 . 5.000 4.570 3.238 5.161 0.161 7 0 "[ . 1 .]" 2
347 1 45 CYS QB 1 58 CYS H 4.000 . 5.000 5.014 4.689 5.221 0.221 1 0 "[ . 1 .]" 2
348 1 45 CYS QB 1 58 CYS QB 4.000 . 5.000 2.118 1.707 3.764 0.093 8 0 "[ . 1 .]" 2
349 1 46 PHE H 1 47 PRO QD 4.000 . 5.000 3.349 2.105 4.274 . 0 0 "[ . 1 .]" 2
350 1 46 PHE H 1 50 GLN QB 4.000 . 5.000 3.938 2.734 5.041 0.041 5 0 "[ . 1 .]" 2
351 1 46 PHE H 1 50 GLN QG 4.000 . 5.000 4.110 2.472 5.082 0.082 11 0 "[ . 1 .]" 2
352 1 46 PHE QB 1 47 PRO QD 4.000 . 5.000 3.599 2.689 3.901 . 0 0 "[ . 1 .]" 2
353 1 46 PHE QB 1 48 LEU H 4.000 . 5.000 3.743 2.677 4.864 . 0 0 "[ . 1 .]" 2
354 1 46 PHE QB 1 49 THR H 4.000 . 5.000 4.585 3.663 5.162 0.162 7 0 "[ . 1 .]" 2
355 1 46 PHE QB 1 50 GLN H 4.500 . 6.000 4.239 2.224 6.032 0.032 3 0 "[ . 1 .]" 2
356 1 46 PHE QB 1 50 GLN QB 4.000 . 5.000 3.096 1.808 5.140 0.140 14 0 "[ . 1 .]" 2
357 1 46 PHE QB 1 50 GLN QG 4.000 . 5.000 3.678 2.103 5.100 0.100 11 0 "[ . 1 .]" 2
358 1 46 PHE QD 1 47 PRO QD 4.000 . 5.000 3.393 2.479 4.317 . 0 0 "[ . 1 .]" 2
359 1 46 PHE QD 1 48 LEU H 4.000 . 5.000 2.691 1.948 3.704 . 0 0 "[ . 1 .]" 2
360 1 46 PHE QD 1 48 LEU QB 4.000 . 5.000 3.846 2.213 5.068 0.068 7 0 "[ . 1 .]" 2
361 1 46 PHE QD 1 48 LEU HG 4.000 . 5.000 4.014 1.801 5.225 0.225 13 0 "[ . 1 .]" 2
362 1 46 PHE QD 1 48 LEU QD 4.000 . 5.500 3.865 1.837 5.060 . 0 0 "[ . 1 .]" 2
363 1 46 PHE QD 1 49 THR H 4.000 . 5.000 3.464 2.637 4.675 . 0 0 "[ . 1 .]" 2
364 1 46 PHE QD 1 49 THR MG 4.000 . 5.500 4.866 4.537 5.351 . 0 0 "[ . 1 .]" 2
365 1 46 PHE QD 1 50 GLN QG 4.000 . 5.000 3.858 2.475 4.931 . 0 0 "[ . 1 .]" 2
366 1 46 PHE QE 1 48 LEU QB 4.000 . 5.000 4.333 3.458 5.052 0.052 10 0 "[ . 1 .]" 2
367 1 46 PHE QE 1 48 LEU HG 4.000 . 5.000 4.278 1.750 5.287 0.287 15 0 "[ . 1 .]" 2
368 1 46 PHE QE 1 48 LEU QD 4.000 . 5.500 3.691 1.784 5.027 0.016 1 0 "[ . 1 .]" 2
369 1 46 PHE QE 1 49 THR MG 4.000 . 5.500 4.769 3.565 5.786 0.286 14 0 "[ . 1 .]" 2
370 1 47 PRO HA 1 48 LEU H 3.000 . 3.300 3.205 2.702 3.479 0.179 8 0 "[ . 1 .]" 2
371 1 47 PRO HA 1 48 LEU QD 4.000 . 5.500 4.563 2.966 5.527 0.027 13 0 "[ . 1 .]" 2
372 1 47 PRO QB 1 48 LEU QD 4.000 . 5.500 3.543 1.903 4.744 . 0 0 "[ . 1 .]" 2
373 1 48 LEU H 1 48 LEU HG 4.000 . 5.000 3.124 2.043 4.365 . 0 0 "[ . 1 .]" 2
374 1 48 LEU H 1 48 LEU QD 4.000 . 5.500 3.416 2.610 4.062 . 0 0 "[ . 1 .]" 2
375 1 48 LEU H 1 49 THR H 4.000 . 5.000 2.692 2.164 3.674 . 0 0 "[ . 1 .]" 2
376 1 48 LEU H 1 49 THR MG 4.000 . 5.500 4.841 4.293 5.570 0.070 13 0 "[ . 1 .]" 2
377 1 48 LEU HA 1 48 LEU HG 3.000 . 3.300 2.923 2.318 3.498 0.198 9 0 "[ . 1 .]" 2
378 1 48 LEU HA 1 49 THR MG 4.000 . 5.500 4.115 3.325 5.604 0.104 13 0 "[ . 1 .]" 2
379 1 48 LEU QB 1 49 THR H 4.000 . 5.000 2.500 1.737 3.750 0.063 6 0 "[ . 1 .]" 2
380 1 48 LEU QB 1 49 THR MG 4.000 . 5.500 2.899 2.015 4.344 . 0 0 "[ . 1 .]" 2
381 1 48 LEU QD 1 49 THR H 4.000 . 5.500 3.654 1.762 4.279 0.038 9 0 "[ . 1 .]" 2
382 1 48 LEU QD 1 49 THR HA 4.000 . 5.500 5.207 3.877 5.660 0.160 11 0 "[ . 1 .]" 2
383 1 48 LEU QD 1 49 THR MG 4.000 . 5.500 3.574 2.358 4.498 . 0 0 "[ . 1 .]" 2
384 1 49 THR H 1 50 GLN H 3.000 . 3.300 3.239 2.383 3.584 0.284 10 0 "[ . 1 .]" 2
385 1 49 THR H 1 50 GLN QB 4.000 . 5.000 3.991 2.989 4.800 . 0 0 "[ . 1 .]" 2
386 1 49 THR H 1 50 GLN QG 4.000 . 5.000 2.978 1.899 4.989 . 0 0 "[ . 1 .]" 2
387 1 49 THR HA 1 50 GLN H 3.000 . 3.300 2.287 2.131 2.785 . 0 0 "[ . 1 .]" 2
388 1 49 THR HA 1 61 ILE HB 4.000 . 5.000 3.575 2.703 3.946 . 0 0 "[ . 1 .]" 2
389 1 49 THR HA 1 61 ILE MG 3.000 . 3.800 3.492 2.564 3.923 0.123 9 0 "[ . 1 .]" 2
390 1 49 THR HA 1 61 ILE MD 4.000 . 5.400 4.265 2.917 5.462 0.062 13 0 "[ . 1 .]" 2
391 1 49 THR HB 1 61 ILE MG 4.000 . 5.500 3.120 1.739 4.410 0.061 10 0 "[ . 1 .]" 2
392 1 49 THR MG 1 50 GLN H 4.000 . 5.500 4.161 3.551 4.361 . 0 0 "[ . 1 .]" 2
393 1 49 THR MG 1 61 ILE HB 4.000 . 5.500 4.043 2.499 4.924 . 0 0 "[ . 1 .]" 2
394 1 49 THR MG 1 61 ILE MG 4.000 . 5.500 2.940 1.854 3.711 . 0 0 "[ . 1 .]" 2
395 1 50 GLN H 1 50 GLN QG 4.000 . 5.000 3.180 2.134 4.003 . 0 0 "[ . 1 .]" 2
396 1 50 GLN H 1 51 PHE H 4.000 . 5.000 4.366 4.321 4.404 . 0 0 "[ . 1 .]" 2
397 1 50 GLN H 1 61 ILE H 4.000 . 5.000 4.581 4.190 5.103 0.103 8 0 "[ . 1 .]" 2
398 1 50 GLN H 1 61 ILE HA 4.000 . 5.000 5.106 5.002 5.221 0.221 10 0 "[ . 1 .]" 2
399 1 50 GLN H 1 61 ILE HB 4.000 . 5.000 3.099 2.885 3.370 . 0 0 "[ . 1 .]" 2
400 1 50 GLN H 1 61 ILE MG 4.000 . 5.500 4.125 3.734 4.492 . 0 0 "[ . 1 .]" 2
401 1 50 GLN H 1 61 ILE MD 4.000 . 5.400 4.022 3.029 5.053 . 0 0 "[ . 1 .]" 2
402 1 50 GLN HA 1 61 ILE H 4.000 . 5.000 2.409 2.043 2.927 . 0 0 "[ . 1 .]" 2
403 1 50 GLN HA 1 61 ILE HA 4.500 . 6.000 3.558 3.179 3.966 . 0 0 "[ . 1 .]" 2
404 1 50 GLN HA 1 61 ILE HB 4.000 . 5.000 2.546 1.941 3.097 . 0 0 "[ . 1 .]" 2
405 1 50 GLN HA 1 61 ILE MG 4.000 . 5.500 3.853 3.091 4.400 . 0 0 "[ . 1 .]" 2
406 1 50 GLN HA 1 61 ILE QG 4.000 . 5.000 3.942 3.301 4.715 . 0 0 "[ . 1 .]" 2
407 1 50 GLN HA 1 61 ILE MD 4.500 . 6.000 4.433 3.487 5.175 . 0 0 "[ . 1 .]" 2
408 1 50 GLN QB 1 59 ILE H 4.000 . 5.000 3.942 3.403 4.690 . 0 0 "[ . 1 .]" 2
409 1 50 GLN QB 1 61 ILE H 4.000 . 5.000 4.343 3.350 5.013 0.013 15 0 "[ . 1 .]" 2
410 1 50 GLN QG 1 51 PHE H 4.000 . 5.000 3.815 2.669 4.332 . 0 0 "[ . 1 .]" 2
411 1 50 GLN QG 1 61 ILE H 4.000 . 5.000 4.253 3.077 5.091 0.091 14 0 "[ . 1 .]" 2
412 1 50 GLN QG 1 61 ILE MG 4.000 . 5.500 4.983 4.450 5.556 0.056 14 0 "[ . 1 .]" 2
413 1 50 GLN HE21 1 58 CYS QB 4.000 . 5.000 3.699 2.217 4.758 . 0 0 "[ . 1 .]" 2
414 1 50 GLN HE22 1 58 CYS QB 4.000 . 5.000 3.798 2.692 5.027 0.027 6 0 "[ . 1 .]" 2
415 1 51 PHE H 1 52 THR HA 4.000 . 5.000 4.689 4.517 4.917 . 0 0 "[ . 1 .]" 2
416 1 51 PHE H 1 59 ILE H 4.500 . 6.000 3.256 2.913 3.545 . 0 0 "[ . 1 .]" 2
417 1 51 PHE H 1 59 ILE HA 4.000 . 5.000 4.735 4.514 4.892 . 0 0 "[ . 1 .]" 2
418 1 51 PHE H 1 61 ILE H 4.000 . 5.000 3.981 3.597 4.442 . 0 0 "[ . 1 .]" 2
419 1 51 PHE H 1 61 ILE HA 4.500 . 6.000 3.706 2.998 4.045 . 0 0 "[ . 1 .]" 2
420 1 51 PHE H 1 61 ILE HB 4.000 . 5.000 4.153 3.658 4.469 . 0 0 "[ . 1 .]" 2
421 1 51 PHE H 1 61 ILE MG 4.000 . 5.500 5.316 4.869 5.598 0.098 8 0 "[ . 1 .]" 2
422 1 51 PHE H 1 61 ILE QG 4.000 . 5.000 4.460 3.327 5.106 0.106 10 0 "[ . 1 .]" 2
423 1 51 PHE H 1 61 ILE MD 4.000 . 5.400 4.889 3.396 5.470 0.070 11 0 "[ . 1 .]" 2
424 1 51 PHE HA 1 52 THR H 2.400 . 2.700 2.380 2.290 2.661 . 0 0 "[ . 1 .]" 2
425 1 51 PHE HA 1 59 ILE H 4.000 . 5.000 4.812 4.546 4.967 . 0 0 "[ . 1 .]" 2
426 1 51 PHE QB 1 53 CYS H 4.000 . 5.000 4.709 4.376 5.032 0.032 11 0 "[ . 1 .]" 2
427 1 51 PHE QB 1 59 ILE H 4.500 . 6.000 3.674 3.146 3.873 . 0 0 "[ . 1 .]" 2
428 1 51 PHE QB 1 59 ILE HB 4.000 . 5.000 4.219 3.969 4.461 . 0 0 "[ . 1 .]" 2
429 1 51 PHE QB 1 59 ILE MG 4.000 . 5.500 4.394 4.084 4.633 . 0 0 "[ . 1 .]" 2
430 1 51 PHE QB 1 59 ILE QG 4.000 . 5.000 1.867 1.697 2.038 0.103 15 0 "[ . 1 .]" 2
431 1 51 PHE QB 1 59 ILE MD 4.000 . 5.400 2.574 1.983 3.111 . 0 0 "[ . 1 .]" 2
432 1 51 PHE QB 1 60 ASN H 4.000 . 5.000 4.905 4.142 5.126 0.126 11 0 "[ . 1 .]" 2
433 1 51 PHE QB 1 61 ILE H 4.000 . 5.000 4.577 3.922 4.909 . 0 0 "[ . 1 .]" 2
434 1 51 PHE QB 1 61 ILE HA 4.500 . 6.000 2.638 2.061 2.994 . 0 0 "[ . 1 .]" 2
435 1 51 PHE QB 1 61 ILE HB 4.000 . 5.000 4.195 3.818 4.610 . 0 0 "[ . 1 .]" 2
436 1 51 PHE QB 1 61 ILE MG 4.000 . 5.500 4.854 4.434 5.105 . 0 0 "[ . 1 .]" 2
437 1 51 PHE QB 1 61 ILE MD 4.000 . 5.400 3.378 1.947 4.375 . 0 0 "[ . 1 .]" 2
438 1 51 PHE QB 1 64 ARG H 4.500 . 6.000 5.779 5.406 6.063 0.063 14 0 "[ . 1 .]" 2
439 1 51 PHE QD 1 52 THR H 4.000 . 5.000 3.059 2.794 3.398 . 0 0 "[ . 1 .]" 2
440 1 51 PHE QD 1 53 CYS H 4.000 . 5.000 3.664 2.694 4.072 . 0 0 "[ . 1 .]" 2
441 1 51 PHE QD 1 59 ILE H 4.500 . 6.000 4.169 3.508 4.645 . 0 0 "[ . 1 .]" 2
442 1 51 PHE QD 1 59 ILE MG 4.000 . 5.500 4.120 3.591 4.432 . 0 0 "[ . 1 .]" 2
443 1 51 PHE QD 1 59 ILE QG 4.000 . 5.000 2.343 2.041 2.612 . 0 0 "[ . 1 .]" 2
444 1 51 PHE QD 1 59 ILE MD 3.000 . 3.700 2.051 1.692 3.171 0.108 11 0 "[ . 1 .]" 2
445 1 51 PHE QD 1 61 ILE HA 4.000 . 5.000 4.570 3.728 5.060 0.060 8 0 "[ . 1 .]" 2
446 1 51 PHE QD 1 61 ILE MD 4.000 . 5.400 3.970 2.966 5.099 . 0 0 "[ . 1 .]" 2
447 1 51 PHE QD 1 64 ARG QD 4.500 . 6.000 4.744 4.016 5.547 . 0 0 "[ . 1 .]" 2
448 1 51 PHE QD 1 76 ASP HA 4.500 . 6.000 6.053 5.766 6.229 0.229 1 0 "[ . 1 .]" 2
449 1 51 PHE QD 1 76 ASP QB 4.000 . 5.000 4.949 3.873 5.234 0.234 9 0 "[ . 1 .]" 2
450 1 51 PHE QE 1 53 CYS H 4.000 . 5.000 4.709 3.881 5.056 0.056 5 0 "[ . 1 .]" 2
451 1 51 PHE QE 1 53 CYS HA 4.000 . 5.000 2.967 1.752 3.402 0.048 15 0 "[ . 1 .]" 2
452 1 51 PHE QE 1 53 CYS QB 4.000 . 5.000 4.719 3.766 5.109 0.109 11 0 "[ . 1 .]" 2
453 1 51 PHE QE 1 54 ASN H 4.000 . 5.000 3.950 2.762 4.708 . 0 0 "[ . 1 .]" 2
454 1 51 PHE QE 1 59 ILE MG 4.000 . 5.500 5.399 4.714 5.698 0.198 11 0 "[ . 1 .]" 2
455 1 51 PHE QE 1 59 ILE QG 4.000 . 5.000 4.261 4.027 4.511 . 0 0 "[ . 1 .]" 2
456 1 51 PHE QE 1 59 ILE MD 4.000 . 5.400 3.483 3.011 4.195 . 0 0 "[ . 1 .]" 2
457 1 51 PHE QE 1 64 ARG QD 4.000 . 5.000 5.044 4.667 5.238 0.238 15 0 "[ . 1 .]" 2
458 1 51 PHE QE 1 76 ASP H 4.000 . 5.000 4.095 3.156 4.906 . 0 0 "[ . 1 .]" 2
459 1 51 PHE QE 1 76 ASP HA 4.000 . 5.000 4.388 3.895 4.689 . 0 0 "[ . 1 .]" 2
460 1 51 PHE QE 1 76 ASP QB 4.000 . 5.000 4.037 2.652 4.550 . 0 0 "[ . 1 .]" 2
461 1 51 PHE HZ 1 53 CYS HA 4.500 . 6.000 5.116 4.168 5.809 . 0 0 "[ . 1 .]" 2
462 1 51 PHE HZ 1 76 ASP HA 4.500 . 6.000 4.292 3.651 5.001 . 0 0 "[ . 1 .]" 2
463 1 51 PHE HZ 1 76 ASP QB 4.000 . 5.000 4.617 3.315 5.093 0.093 14 0 "[ . 1 .]" 2
464 1 52 THR H 1 52 THR HB 3.000 . 3.300 2.746 2.596 3.294 . 0 0 "[ . 1 .]" 2
465 1 52 THR H 1 52 THR MG 3.000 . 3.800 3.511 2.129 3.858 0.058 6 0 "[ . 1 .]" 2
466 1 52 THR H 1 53 CYS H 4.000 . 5.000 4.132 3.955 4.282 . 0 0 "[ . 1 .]" 2
467 1 52 THR H 1 58 CYS HA 4.000 . 5.000 4.969 4.621 5.142 0.142 15 0 "[ . 1 .]" 2
468 1 52 THR H 1 59 ILE QG 4.000 . 5.000 4.216 3.548 4.717 . 0 0 "[ . 1 .]" 2
469 1 52 THR HA 1 53 CYS H 3.000 . 3.300 2.174 2.106 2.232 . 0 0 "[ . 1 .]" 2
470 1 52 THR HA 1 53 CYS QB 4.000 . 5.000 4.172 4.005 4.547 . 0 0 "[ . 1 .]" 2
471 1 52 THR HB 1 53 CYS H 4.000 . 5.000 4.361 4.299 4.410 . 0 0 "[ . 1 .]" 2
472 1 52 THR HB 1 59 ILE H 4.500 . 6.000 5.681 4.205 6.072 0.072 15 0 "[ . 1 .]" 2
473 1 52 THR MG 1 53 CYS H 4.000 . 5.500 3.449 3.085 4.110 . 0 0 "[ . 1 .]" 2
474 1 52 THR MG 1 56 GLY H 4.000 . 5.500 4.460 3.544 5.233 . 0 0 "[ . 1 .]" 2
475 1 52 THR MG 1 56 GLY QA 4.500 . 6.000 4.282 2.933 5.373 . 0 0 "[ . 1 .]" 2
476 1 52 THR MG 1 57 ARG H 4.000 . 5.500 4.863 3.943 5.689 0.189 12 0 "[ . 1 .]" 2
477 1 52 THR MG 1 58 CYS HA 4.000 . 5.500 3.580 2.922 4.979 . 0 0 "[ . 1 .]" 2
478 1 53 CYS H 1 54 ASN H 4.000 . 5.000 4.606 4.541 4.671 . 0 0 "[ . 1 .]" 2
479 1 53 CYS H 1 57 ARG H 4.000 . 5.000 4.348 3.784 4.657 . 0 0 "[ . 1 .]" 2
480 1 53 CYS H 1 57 ARG QB 4.000 . 5.000 3.971 3.093 5.113 0.113 13 0 "[ . 1 .]" 2
481 1 53 CYS H 1 57 ARG QG 4.500 . 6.000 4.983 3.120 6.025 0.025 9 0 "[ . 1 .]" 2
482 1 53 CYS H 1 58 CYS HA 4.000 . 5.000 2.571 2.037 3.317 . 0 0 "[ . 1 .]" 2
483 1 53 CYS H 1 59 ILE HA 4.000 . 5.000 5.267 5.114 5.451 0.451 14 0 "[ . 1 .]" 2
484 1 53 CYS H 1 59 ILE QG 4.000 . 5.000 2.859 2.345 3.374 . 0 0 "[ . 1 .]" 2
485 1 53 CYS HA 1 57 ARG H 4.000 . 5.000 4.956 4.508 5.315 0.315 14 0 "[ . 1 .]" 2
486 1 53 CYS HA 1 57 ARG QD 4.000 . 5.000 4.959 4.209 5.181 0.181 6 0 "[ . 1 .]" 2
487 1 53 CYS HA 1 59 ILE MG 4.000 . 5.500 4.204 3.764 4.661 . 0 0 "[ . 1 .]" 2
488 1 53 CYS QB 1 54 ASN H 4.000 . 5.000 3.408 2.802 3.788 . 0 0 "[ . 1 .]" 2
489 1 53 CYS QB 1 54 ASN HD21 4.000 . 5.000 4.857 4.274 5.147 0.147 15 0 "[ . 1 .]" 2
490 1 53 CYS QB 1 55 ASN H 4.000 . 5.000 3.160 2.367 3.680 . 0 0 "[ . 1 .]" 2
491 1 53 CYS QB 1 56 GLY H 4.000 . 5.000 3.431 2.858 4.091 . 0 0 "[ . 1 .]" 2
492 1 53 CYS QB 1 57 ARG H 3.000 . 3.300 2.388 1.887 2.775 . 0 0 "[ . 1 .]" 2
493 1 53 CYS QB 1 57 ARG QB 4.000 . 5.000 2.233 1.696 3.504 0.104 10 0 "[ . 1 .]" 2
494 1 54 ASN H 1 54 ASN HD21 4.000 . 5.000 2.187 1.892 2.459 . 0 0 "[ . 1 .]" 2
495 1 54 ASN H 1 54 ASN HD22 4.000 . 5.000 3.626 3.138 3.965 . 0 0 "[ . 1 .]" 2
496 1 54 ASN H 1 55 ASN H 4.500 . 6.000 2.618 2.424 2.824 . 0 0 "[ . 1 .]" 2
497 1 54 ASN H 1 56 GLY H 4.000 . 5.000 4.228 3.992 4.731 . 0 0 "[ . 1 .]" 2
498 1 54 ASN H 1 75 SER H 4.500 . 6.000 5.080 4.379 5.750 . 0 0 "[ . 1 .]" 2
499 1 54 ASN H 1 75 SER HA 4.500 . 6.000 3.677 2.022 5.675 . 0 0 "[ . 1 .]" 2
500 1 54 ASN H 1 75 SER QB 4.000 . 5.000 3.310 2.019 5.108 0.108 8 0 "[ . 1 .]" 2
501 1 54 ASN HA 1 54 ASN HD21 4.000 . 5.000 3.625 2.348 4.143 . 0 0 "[ . 1 .]" 2
502 1 54 ASN HA 1 54 ASN HD22 4.000 . 5.000 4.505 3.518 5.136 0.136 6 0 "[ . 1 .]" 2
503 1 54 ASN HA 1 56 GLY H 4.000 . 5.000 3.422 3.004 3.873 . 0 0 "[ . 1 .]" 2
504 1 54 ASN QB 1 75 SER QB 4.000 . 5.000 4.025 1.778 5.189 0.189 8 0 "[ . 1 .]" 2
505 1 54 ASN HD21 1 75 SER QB 4.000 . 5.000 3.117 1.787 4.499 0.013 1 0 "[ . 1 .]" 2
506 1 54 ASN HD22 1 75 SER QB 4.000 . 5.000 3.908 2.509 5.069 0.069 8 0 "[ . 1 .]" 2
507 1 55 ASN H 1 55 ASN HA 2.400 . 2.700 2.833 2.792 2.877 0.177 7 0 "[ . 1 .]" 2
508 1 55 ASN H 1 55 ASN HD21 4.000 . 5.000 4.348 2.843 4.827 . 0 0 "[ . 1 .]" 2
509 1 55 ASN H 1 56 GLY H 3.000 . 3.300 2.670 2.359 3.129 . 0 0 "[ . 1 .]" 2
510 1 55 ASN H 1 57 ARG QB 4.000 . 5.000 4.844 4.394 5.142 0.142 5 0 "[ . 1 .]" 2
511 1 55 ASN H 1 57 ARG QD 4.000 . 5.000 4.130 3.349 4.626 . 0 0 "[ . 1 .]" 2
512 1 55 ASN H 1 73 ASP H 4.500 . 6.000 6.026 5.540 6.160 0.160 3 0 "[ . 1 .]" 2
513 1 55 ASN HA 1 55 ASN HD21 4.000 . 5.000 3.554 2.752 4.445 . 0 0 "[ . 1 .]" 2
514 1 55 ASN HA 1 55 ASN HD22 4.000 . 5.000 4.191 3.736 5.218 0.218 8 0 "[ . 1 .]" 2
515 1 55 ASN QB 1 57 ARG H 4.000 . 5.000 3.272 2.501 4.109 . 0 0 "[ . 1 .]" 2
516 1 55 ASN HD21 1 57 ARG QD 4.500 . 6.000 4.755 3.287 6.012 0.012 13 0 "[ . 1 .]" 2
517 1 55 ASN HD21 1 73 ASP H 4.500 . 6.000 5.789 5.093 6.124 0.124 4 0 "[ . 1 .]" 2
518 1 55 ASN HD21 1 73 ASP QB 4.000 . 5.000 3.068 2.232 4.191 . 0 0 "[ . 1 .]" 2
519 1 55 ASN HD22 1 73 ASP QB 4.000 . 5.000 3.947 2.516 5.053 0.053 14 0 "[ . 1 .]" 2
520 1 56 GLY H 1 57 ARG H 3.000 . 3.300 2.255 2.027 2.658 . 0 0 "[ . 1 .]" 2
521 1 56 GLY H 1 57 ARG HA 4.000 . 5.000 4.883 4.652 5.136 0.136 7 0 "[ . 1 .]" 2
522 1 56 GLY H 1 57 ARG QB 4.000 . 5.000 4.435 4.033 4.932 . 0 0 "[ . 1 .]" 2
523 1 56 GLY H 1 57 ARG QG 4.000 . 5.000 4.481 3.609 5.149 0.149 13 0 "[ . 1 .]" 2
524 1 56 GLY QA 1 57 ARG HA 4.000 . 5.000 4.019 3.962 4.101 . 0 0 "[ . 1 .]" 2
525 1 57 ARG H 1 57 ARG QB 2.400 . 2.700 2.488 2.163 2.660 . 0 0 "[ . 1 .]" 2
526 1 57 ARG H 1 57 ARG QG 4.000 . 5.000 2.680 1.932 3.553 . 0 0 "[ . 1 .]" 2
527 1 57 ARG H 1 57 ARG QD 3.000 . 3.300 3.022 1.890 3.448 0.148 15 0 "[ . 1 .]" 2
528 1 57 ARG H 1 58 CYS H 4.000 . 5.000 4.552 4.476 4.632 . 0 0 "[ . 1 .]" 2
529 1 57 ARG H 1 58 CYS HA 4.500 . 6.000 5.145 4.974 5.434 . 0 0 "[ . 1 .]" 2
530 1 57 ARG HA 1 57 ARG QD 4.000 . 5.000 4.015 3.132 4.452 . 0 0 "[ . 1 .]" 2
531 1 57 ARG HA 1 58 CYS H 3.000 . 3.300 2.372 2.279 2.561 . 0 0 "[ . 1 .]" 2
532 1 57 ARG HA 1 58 CYS QB 4.000 . 5.000 4.539 4.437 4.677 . 0 0 "[ . 1 .]" 2
533 1 57 ARG QG 1 58 CYS H 4.000 . 5.000 3.708 2.597 4.224 . 0 0 "[ . 1 .]" 2
534 1 57 ARG QG 1 58 CYS QB 4.500 . 6.000 5.537 4.143 6.112 0.112 15 0 "[ . 1 .]" 2
535 1 57 ARG QD 1 58 CYS H 4.000 . 5.000 4.845 4.459 5.081 0.081 5 0 "[ . 1 .]" 2
536 1 58 CYS H 1 59 ILE H 4.000 . 5.000 4.371 4.198 4.504 . 0 0 "[ . 1 .]" 2
537 1 58 CYS H 1 59 ILE MG 4.000 . 5.500 4.087 3.674 4.541 . 0 0 "[ . 1 .]" 2
538 1 58 CYS HA 1 59 ILE H 3.000 . 3.300 2.212 2.161 2.305 . 0 0 "[ . 1 .]" 2
539 1 58 CYS HA 1 59 ILE MG 4.000 . 5.500 3.708 3.440 3.927 . 0 0 "[ . 1 .]" 2
540 1 58 CYS QB 1 59 ILE H 3.000 . 3.300 3.163 2.662 3.361 0.061 7 0 "[ . 1 .]" 2
541 1 59 ILE H 1 59 ILE QG 4.000 . 5.000 2.236 2.024 2.442 . 0 0 "[ . 1 .]" 2
542 1 59 ILE H 1 59 ILE MD 4.000 . 5.400 3.924 3.754 4.110 . 0 0 "[ . 1 .]" 2
543 1 59 ILE HA 1 60 ASN H 3.000 . 3.300 2.470 2.274 2.752 . 0 0 "[ . 1 .]" 2
544 1 59 ILE HB 1 60 ASN H 4.000 . 5.000 2.218 1.780 2.511 0.020 6 0 "[ . 1 .]" 2
545 1 59 ILE HB 1 63 TRP QB 4.000 . 5.000 3.904 3.056 4.531 . 0 0 "[ . 1 .]" 2
546 1 59 ILE HB 1 63 TRP HE3 4.000 . 5.000 3.305 2.419 3.801 . 0 0 "[ . 1 .]" 2
547 1 59 ILE MG 1 63 TRP QB 4.000 . 5.500 4.499 3.809 4.889 . 0 0 "[ . 1 .]" 2
548 1 59 ILE MG 1 63 TRP HE3 3.000 . 3.800 3.254 2.805 3.639 . 0 0 "[ . 1 .]" 2
549 1 59 ILE MG 1 70 ASP QB 4.000 . 5.500 5.124 4.295 5.534 0.034 7 0 "[ . 1 .]" 2
550 1 59 ILE MG 1 71 CYS H 4.000 . 5.500 4.917 4.199 5.565 0.065 2 0 "[ . 1 .]" 2
551 1 59 ILE QG 1 60 ASN H 4.000 . 5.000 3.464 3.002 3.883 . 0 0 "[ . 1 .]" 2
552 1 59 ILE QG 1 63 TRP HE3 4.000 . 5.000 4.409 3.575 5.044 0.044 11 0 "[ . 1 .]" 2
553 1 59 ILE MD 1 60 ASN H 4.000 . 5.400 3.931 3.479 4.436 . 0 0 "[ . 1 .]" 2
554 1 59 ILE MD 1 63 TRP H 4.000 . 5.400 4.373 3.724 4.705 . 0 0 "[ . 1 .]" 2
555 1 59 ILE MD 1 63 TRP HA 4.000 . 5.400 5.205 4.533 5.487 0.087 1 0 "[ . 1 .]" 2
556 1 59 ILE MD 1 63 TRP QB 3.000 . 3.700 2.532 2.064 2.738 . 0 0 "[ . 1 .]" 2
557 1 59 ILE MD 1 63 TRP HD1 4.000 . 5.400 5.253 4.271 5.584 0.184 12 0 "[ . 1 .]" 2
558 1 59 ILE MD 1 63 TRP HE3 3.000 . 3.700 2.566 1.784 3.436 0.016 12 0 "[ . 1 .]" 2
559 1 59 ILE MD 1 64 ARG H 4.000 . 5.400 5.429 4.755 5.596 0.196 1 0 "[ . 1 .]" 2
560 1 59 ILE MD 1 64 ARG HA 4.500 . 6.000 5.638 5.115 6.037 0.037 5 0 "[ . 1 .]" 2
561 1 59 ILE MD 1 70 ASP H 4.000 . 5.400 3.557 2.609 4.467 . 0 0 "[ . 1 .]" 2
562 1 59 ILE MD 1 70 ASP QB 3.000 . 3.700 3.791 3.312 4.118 0.418 9 0 "[ . 1 .]" 2
563 1 59 ILE MD 1 71 CYS H 4.000 . 5.400 3.929 3.249 4.622 . 0 0 "[ . 1 .]" 2
564 1 59 ILE MD 1 76 ASP H 4.000 . 5.400 4.767 4.081 5.439 0.039 14 0 "[ . 1 .]" 2
565 1 59 ILE MD 1 76 ASP HA 4.500 . 6.000 5.912 5.676 6.213 0.213 6 0 "[ . 1 .]" 2
566 1 59 ILE MD 1 76 ASP QB 4.000 . 5.400 4.253 3.825 4.896 . 0 0 "[ . 1 .]" 2
567 1 60 ASN H 1 61 ILE H 4.000 . 5.000 4.612 4.574 4.644 . 0 0 "[ . 1 .]" 2
568 1 60 ASN H 1 63 TRP HE3 4.000 . 5.000 4.733 3.764 5.098 0.098 13 0 "[ . 1 .]" 2
569 1 60 ASN H 1 63 TRP HZ3 4.500 . 6.000 4.936 3.447 5.927 . 0 0 "[ . 1 .]" 2
570 1 60 ASN HA 1 61 ILE HB 4.500 . 6.000 4.283 4.132 4.458 . 0 0 "[ . 1 .]" 2
571 1 60 ASN HA 1 61 ILE MG 4.000 . 5.500 4.473 4.109 4.949 . 0 0 "[ . 1 .]" 2
572 1 60 ASN HA 1 62 ASN H 4.000 . 5.000 3.868 3.554 4.337 . 0 0 "[ . 1 .]" 2
573 1 60 ASN QB 1 62 ASN H 4.000 . 5.000 2.764 1.960 3.382 . 0 0 "[ . 1 .]" 2
574 1 60 ASN QB 1 63 TRP H 4.500 . 6.000 4.107 3.618 5.023 . 0 0 "[ . 1 .]" 2
575 1 60 ASN QB 1 63 TRP HD1 4.500 . 6.000 3.048 1.828 5.182 . 0 0 "[ . 1 .]" 2
576 1 60 ASN QB 1 63 TRP HE1 4.500 . 6.000 2.681 2.028 4.471 . 0 0 "[ . 1 .]" 2
577 1 60 ASN QB 1 63 TRP HZ2 4.000 . 5.000 3.910 3.093 4.747 . 0 0 "[ . 1 .]" 2
578 1 61 ILE H 1 61 ILE HB 2.400 . 2.700 2.336 2.106 2.572 . 0 0 "[ . 1 .]" 2
579 1 61 ILE H 1 61 ILE MG 2.400 . 3.200 2.505 2.130 3.089 . 0 0 "[ . 1 .]" 2
580 1 61 ILE H 1 61 ILE QG 4.000 . 5.000 3.899 3.570 4.111 . 0 0 "[ . 1 .]" 2
581 1 61 ILE H 1 61 ILE MD 4.000 . 5.400 4.292 3.881 4.455 . 0 0 "[ . 1 .]" 2
582 1 61 ILE H 1 62 ASN H 4.000 . 5.000 2.588 2.411 2.875 . 0 0 "[ . 1 .]" 2
583 1 61 ILE HA 1 61 ILE MD 3.000 . 3.700 2.736 1.847 3.746 0.046 12 0 "[ . 1 .]" 2
584 1 61 ILE HA 1 62 ASN H 3.000 . 3.300 3.316 3.089 3.396 0.096 7 0 "[ . 1 .]" 2
585 1 61 ILE HA 1 63 TRP H 4.000 . 5.000 3.500 3.324 3.715 . 0 0 "[ . 1 .]" 2
586 1 61 ILE HA 1 64 ARG H 4.500 . 6.000 4.830 4.281 5.791 . 0 0 "[ . 1 .]" 2
587 1 61 ILE HB 1 62 ASN H 4.000 . 5.000 4.087 3.739 4.531 . 0 0 "[ . 1 .]" 2
588 1 61 ILE MG 1 62 ASN H 3.000 . 3.800 2.910 2.619 3.437 . 0 0 "[ . 1 .]" 2
589 1 61 ILE MG 1 62 ASN QB 4.000 . 5.500 3.335 2.798 3.928 . 0 0 "[ . 1 .]" 2
590 1 61 ILE MG 1 62 ASN HD21 4.000 . 5.500 4.326 2.789 5.506 0.006 14 0 "[ . 1 .]" 2
591 1 61 ILE MG 1 62 ASN HD22 4.000 . 5.500 4.768 2.850 5.627 0.127 14 0 "[ . 1 .]" 2
592 1 61 ILE MG 1 63 TRP H 4.000 . 5.500 4.364 4.109 4.715 . 0 0 "[ . 1 .]" 2
593 1 61 ILE QG 1 62 ASN H 4.000 . 5.000 4.582 4.266 4.909 . 0 0 "[ . 1 .]" 2
594 1 61 ILE MD 1 62 ASN H 4.000 . 5.400 4.737 4.264 5.495 0.095 15 0 "[ . 1 .]" 2
595 1 61 ILE MD 1 64 ARG H 4.500 . 6.000 5.092 3.703 6.113 0.113 15 0 "[ . 1 .]" 2
596 1 62 ASN H 1 62 ASN HD21 4.000 . 5.000 4.129 2.361 4.936 . 0 0 "[ . 1 .]" 2
597 1 62 ASN H 1 62 ASN HD22 4.500 . 6.000 4.970 3.438 5.913 . 0 0 "[ . 1 .]" 2
598 1 62 ASN H 1 63 TRP H 3.000 . 3.300 2.770 2.577 3.046 . 0 0 "[ . 1 .]" 2
599 1 62 ASN H 1 63 TRP HA 4.000 . 5.000 4.932 4.766 5.085 0.085 6 0 "[ . 1 .]" 2
600 1 62 ASN H 1 63 TRP QB 4.000 . 5.000 4.444 4.137 4.618 . 0 0 "[ . 1 .]" 2
601 1 62 ASN H 1 63 TRP HD1 4.000 . 5.000 3.462 2.701 4.473 . 0 0 "[ . 1 .]" 2
602 1 62 ASN H 1 64 ARG H 4.000 . 5.000 4.589 4.288 4.861 . 0 0 "[ . 1 .]" 2
603 1 62 ASN HA 1 63 TRP H 3.000 . 3.300 3.005 2.870 3.116 . 0 0 "[ . 1 .]" 2
604 1 62 ASN HA 1 64 ARG H 4.000 . 5.000 3.222 2.901 3.447 . 0 0 "[ . 1 .]" 2
605 1 62 ASN QB 1 63 TRP HD1 4.500 . 6.000 3.119 2.556 4.027 . 0 0 "[ . 1 .]" 2
606 1 63 TRP H 1 63 TRP HD1 4.000 . 5.000 3.059 2.512 3.625 . 0 0 "[ . 1 .]" 2
607 1 63 TRP H 1 64 ARG H 4.000 . 5.000 2.222 2.045 2.658 . 0 0 "[ . 1 .]" 2
608 1 63 TRP H 1 64 ARG HA 4.000 . 5.000 4.584 4.459 4.740 . 0 0 "[ . 1 .]" 2
609 1 63 TRP H 1 64 ARG QB 4.000 . 5.000 4.223 3.673 4.776 . 0 0 "[ . 1 .]" 2
610 1 63 TRP HA 1 63 TRP HD1 4.500 . 6.000 2.558 2.033 3.095 . 0 0 "[ . 1 .]" 2
611 1 63 TRP HA 1 63 TRP HE3 4.000 . 5.000 4.946 4.399 5.168 0.168 12 0 "[ . 1 .]" 2
612 1 63 TRP QB 1 64 ARG H 4.000 . 5.000 3.507 3.308 3.774 . 0 0 "[ . 1 .]" 2
613 1 63 TRP HD1 1 64 ARG H 4.000 . 5.000 4.536 4.295 4.719 . 0 0 "[ . 1 .]" 2
614 1 63 TRP HE3 1 70 ASP QB 4.000 . 5.000 3.161 2.066 5.165 0.165 10 0 "[ . 1 .]" 2
615 1 64 ARG H 1 64 ARG QB 2.400 . 2.700 2.451 2.175 2.730 0.030 2 0 "[ . 1 .]" 2
616 1 64 ARG H 1 64 ARG QG 4.000 . 5.000 2.800 1.790 4.042 0.010 2 0 "[ . 1 .]" 2
617 1 64 ARG H 1 64 ARG QD 4.000 . 5.000 3.802 2.998 4.495 . 0 0 "[ . 1 .]" 2
618 1 64 ARG H 1 65 CYS H 4.000 . 5.000 4.262 4.132 4.438 . 0 0 "[ . 1 .]" 2
619 1 64 ARG HA 1 64 ARG QD 4.000 . 5.000 2.461 2.224 2.875 . 0 0 "[ . 1 .]" 2
620 1 64 ARG HA 1 65 CYS H 3.000 . 3.300 2.259 2.188 2.380 . 0 0 "[ . 1 .]" 2
621 1 64 ARG HA 1 76 ASP QB 4.000 . 5.000 4.693 3.682 5.216 0.216 3 0 "[ . 1 .]" 2
622 1 64 ARG QB 1 76 ASP QB 4.500 . 6.000 5.912 5.165 6.125 0.125 7 0 "[ . 1 .]" 2
623 1 64 ARG QG 1 65 CYS H 4.000 . 5.000 4.313 3.261 4.945 . 0 0 "[ . 1 .]" 2
624 1 64 ARG QD 1 65 CYS H 4.000 . 5.000 4.310 3.387 4.748 . 0 0 "[ . 1 .]" 2
625 1 64 ARG QD 1 76 ASP HA 4.500 . 6.000 5.970 4.850 6.317 0.317 8 0 "[ . 1 .]" 2
626 1 65 CYS H 1 66 ASP H 4.000 . 5.000 2.476 2.132 2.971 . 0 0 "[ . 1 .]" 2
627 1 65 CYS HA 1 66 ASP H 3.000 . 3.300 3.474 3.349 3.526 0.226 1 0 "[ . 1 .]" 2
628 1 65 CYS QB 1 66 ASP H 4.000 . 5.000 2.575 1.806 3.632 . 0 0 "[ . 1 .]" 2
629 1 66 ASP H 1 67 ASN H 3.000 . 3.300 2.538 2.214 3.063 . 0 0 "[ . 1 .]" 2
630 1 66 ASP H 1 67 ASN HA 4.000 . 5.000 4.794 4.431 5.043 0.043 11 0 "[ . 1 .]" 2
631 1 66 ASP H 1 68 ASP H 4.500 . 6.000 3.996 3.506 4.350 . 0 0 "[ . 1 .]" 2
632 1 67 ASN H 1 67 ASN HA 2.400 . 2.700 2.891 2.779 2.923 0.223 10 0 "[ . 1 .]" 2
633 1 67 ASN H 1 67 ASN HD22 4.500 . 6.000 5.176 3.576 5.854 . 0 0 "[ . 1 .]" 2
634 1 67 ASN H 1 68 ASP H 3.000 . 3.300 2.332 1.786 2.956 0.014 12 0 "[ . 1 .]" 2
635 1 67 ASN HA 1 67 ASN HD21 4.000 . 5.000 3.904 1.805 4.364 . 0 0 "[ . 1 .]" 2
636 1 67 ASN HA 1 67 ASN HD22 4.000 . 5.000 4.528 3.430 5.070 0.070 8 0 "[ . 1 .]" 2
637 1 68 ASP H 1 68 ASP QB 2.400 . 2.700 2.583 2.300 2.793 0.093 15 0 "[ . 1 .]" 2
638 1 70 ASP H 1 71 CYS H 4.000 . 5.000 4.398 4.011 4.665 . 0 0 "[ . 1 .]" 2
639 1 70 ASP QB 1 71 CYS HA 4.000 . 5.000 4.059 3.516 4.638 . 0 0 "[ . 1 .]" 2
640 1 71 CYS H 1 72 GLY H 4.000 . 5.000 2.121 1.780 2.858 0.020 13 0 "[ . 1 .]" 2
641 1 71 CYS H 1 72 GLY QA 4.500 . 6.000 3.778 3.522 4.040 . 0 0 "[ . 1 .]" 2
642 1 71 CYS H 1 75 SER QB 4.000 . 5.000 3.725 2.167 5.015 0.015 1 0 "[ . 1 .]" 2
643 1 71 CYS H 1 76 ASP H 4.500 . 6.000 4.143 3.410 5.289 . 0 0 "[ . 1 .]" 2
644 1 71 CYS QB 1 72 GLY H 4.000 . 5.000 2.776 2.106 3.649 . 0 0 "[ . 1 .]" 2
645 1 71 CYS QB 1 73 ASP H 4.000 . 5.000 3.101 2.116 4.811 . 0 0 "[ . 1 .]" 2
646 1 71 CYS QB 1 74 ASN H 4.500 . 6.000 4.770 2.640 6.003 0.003 11 0 "[ . 1 .]" 2
647 1 72 GLY H 1 73 ASP H 4.000 . 5.000 2.473 1.745 3.430 0.055 10 0 "[ . 1 .]" 2
648 1 72 GLY H 1 74 ASN H 4.000 . 5.000 4.241 3.312 5.073 0.073 13 0 "[ . 1 .]" 2
649 1 72 GLY QA 1 74 ASN H 4.000 . 5.000 4.434 3.402 5.159 0.159 8 0 "[ . 1 .]" 2
650 1 73 ASP H 1 74 ASN H 3.000 . 3.300 2.928 2.070 3.632 0.332 8 0 "[ . 1 .]" 2
651 1 73 ASP H 1 75 SER H 4.500 . 6.000 3.396 2.769 4.358 . 0 0 "[ . 1 .]" 2
652 1 74 ASN H 1 74 ASN HA 2.400 . 2.700 2.450 2.259 2.866 0.166 1 0 "[ . 1 .]" 2
653 1 74 ASN H 1 74 ASN HD21 4.000 . 5.000 3.790 1.798 4.856 0.002 1 0 "[ . 1 .]" 2
654 1 74 ASN H 1 75 SER H 4.000 . 5.000 2.570 1.790 2.878 0.010 1 0 "[ . 1 .]" 2
655 1 74 ASN H 1 75 SER QB 4.500 . 6.000 4.335 3.364 4.980 . 0 0 "[ . 1 .]" 2
656 1 74 ASN HA 1 74 ASN HD21 4.000 . 5.000 3.219 1.781 4.425 0.019 7 0 "[ . 1 .]" 2
657 1 74 ASN HA 1 74 ASN HD22 4.000 . 5.000 4.061 3.394 4.922 . 0 0 "[ . 1 .]" 2
658 1 74 ASN HA 1 75 SER H 3.000 . 3.300 2.858 2.441 3.233 . 0 0 "[ . 1 .]" 2
659 1 75 SER H 1 76 ASP H 4.000 . 5.000 3.060 2.387 4.412 . 0 0 "[ . 1 .]" 2
660 1 75 SER H 1 77 GLU H 4.500 . 6.000 3.857 3.242 5.050 . 0 0 "[ . 1 .]" 2
661 1 75 SER H 1 78 ALA MB 4.000 . 5.500 4.079 2.911 5.250 . 0 0 "[ . 1 .]" 2
662 1 75 SER HA 1 76 ASP H 3.000 . 3.300 3.371 2.621 3.510 0.210 6 0 "[ . 1 .]" 2
663 1 75 SER HA 1 77 GLU H 4.000 . 5.000 5.114 4.723 5.239 0.239 11 0 "[ . 1 .]" 2
664 1 75 SER QB 1 77 GLU H 4.000 . 5.000 3.915 2.747 4.727 . 0 0 "[ . 1 .]" 2
665 1 75 SER QB 1 78 ALA H 4.000 . 5.000 4.758 2.549 5.203 0.203 15 0 "[ . 1 .]" 2
666 1 75 SER QB 1 78 ALA MB 4.000 . 5.500 5.010 4.126 5.662 0.162 5 0 "[ . 1 .]" 2
667 1 76 ASP H 1 77 GLU H 3.000 . 3.300 2.709 2.049 3.139 . 0 0 "[ . 1 .]" 2
668 1 76 ASP H 1 78 ALA H 4.000 . 5.000 4.069 3.033 5.064 0.064 3 0 "[ . 1 .]" 2
669 1 76 ASP QB 1 77 GLU QG 4.000 . 5.000 3.165 2.262 4.980 . 0 0 "[ . 1 .]" 2
670 1 77 GLU H 1 77 GLU QG 4.000 . 5.000 2.913 2.148 4.073 . 0 0 "[ . 1 .]" 2
671 1 77 GLU H 1 78 ALA H 2.400 . 2.700 1.977 1.580 2.850 0.220 1 0 "[ . 1 .]" 2
672 1 77 GLU H 1 78 ALA MB 4.000 . 5.500 3.940 3.208 4.604 . 0 0 "[ . 1 .]" 2
673 1 77 GLU HA 1 78 ALA H 3.000 . 3.300 3.394 3.051 3.514 0.214 8 0 "[ . 1 .]" 2
674 1 77 GLU QG 1 78 ALA H 4.000 . 5.000 3.142 2.023 4.598 . 0 0 "[ . 1 .]" 2
675 1 82 HIS HA 1 82 HIS HD2 4.000 . 5.000 3.969 3.113 4.893 . 0 0 "[ . 1 .]" 2
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