NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
419413 |
2ec7   |
7384 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ec7
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 678
_Distance_constraint_stats_list.Viol_count 293
_Distance_constraint_stats_list.Viol_total 2580.241
_Distance_constraint_stats_list.Viol_max 22.751
_Distance_constraint_stats_list.Viol_rms 0.7363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.8006
_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 1 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 2 GLN 0.105 0.064 6 0 "[ . 1 ]"
1 3 GLN 0.291 0.080 8 0 "[ . 1 ]"
1 4 ARG 0.186 0.080 8 0 "[ . 1 ]"
1 5 LYS 0.022 0.022 2 0 "[ . 1 ]"
1 6 VAL 210.302 22.751 11 11 [*-********+]
1 7 ILE 2.430 0.238 5 0 "[ . 1 ]"
1 8 ARG 0.381 0.136 7 0 "[ . 1 ]"
1 9 CYS 0.635 0.239 1 0 "[ . 1 ]"
1 10 TRP 3.171 0.252 2 0 "[ . 1 ]"
1 11 ASN 1.424 0.252 2 0 "[ . 1 ]"
1 12 CYS 0.797 0.104 4 0 "[ . 1 ]"
1 13 GLY 0.089 0.024 4 0 "[ . 1 ]"
1 14 LYS 0.239 0.104 4 0 "[ . 1 ]"
1 15 GLU 0.373 0.136 7 0 "[ . 1 ]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 17 HIS 0.507 0.103 8 0 "[ . 1 ]"
1 18 SER 0.523 0.094 6 0 "[ . 1 ]"
1 19 ALA 1.473 0.202 9 0 "[ . 1 ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 21 GLN 0.222 0.077 3 0 "[ . 1 ]"
1 22 CYS 1.052 0.192 7 0 "[ . 1 ]"
1 23 ARG 0.074 0.048 4 0 "[ . 1 ]"
1 24 ALA 2.774 0.234 9 0 "[ . 1 ]"
1 25 PRO 1.303 0.199 9 0 "[ . 1 ]"
1 26 ARG 4.107 0.411 5 0 "[ . 1 ]"
1 27 ARG 2.764 0.362 11 0 "[ . 1 ]"
1 28 GLN 0.945 0.240 5 0 "[ . 1 ]"
1 29 GLY 0.415 0.240 5 0 "[ . 1 ]"
1 30 CYS 0.220 0.053 4 0 "[ . 1 ]"
1 31 TRP 1.743 0.176 4 0 "[ . 1 ]"
1 32 LYS 0.497 0.108 2 0 "[ . 1 ]"
1 33 CYS 0.052 0.029 6 0 "[ . 1 ]"
1 34 GLY 209.869 22.751 11 11 [*-********+]
1 35 LYS 0.292 0.177 9 0 "[ . 1 ]"
1 36 THR 0.551 0.177 9 0 "[ . 1 ]"
1 37 GLY 0.337 0.068 7 0 "[ . 1 ]"
1 38 HIS 1.125 0.393 7 0 "[ . 1 ]"
1 39 VAL 1.633 0.259 10 0 "[ . 1 ]"
1 40 MET 0.779 0.259 10 0 "[ . 1 ]"
1 41 ALA 0.894 0.198 10 0 "[ . 1 ]"
1 42 LYS 0.205 0.111 11 0 "[ . 1 ]"
1 43 CYS 0.376 0.310 8 0 "[ . 1 ]"
1 44 PRO 0.359 0.310 8 0 "[ . 1 ]"
1 45 GLU 0.006 0.006 1 0 "[ . 1 ]"
1 46 ARG 1.920 1.082 10 1 "[ . + ]"
1 47 GLN 0.074 0.027 2 0 "[ . 1 ]"
1 48 ALA 0.047 0.027 2 0 "[ . 1 ]"
1 49 GLY 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 1 ALA HA 1 2 GLN H 2.000 . 6.000 2.624 2.215 3.504 . 0 0 "[ . 1 ]" 1
2 1 2 GLN HA 1 3 GLN H 2.000 . 3.500 2.716 2.213 3.564 0.064 6 0 "[ . 1 ]" 1
3 1 3 GLN H 1 3 GLN QB 2.000 . 6.000 2.749 2.034 3.061 . 0 0 "[ . 1 ]" 1
4 1 3 GLN H 1 3 GLN QG 2.000 . 7.000 3.498 2.197 4.202 . 0 0 "[ . 1 ]" 1
5 1 3 GLN HA 1 3 GLN QB 2.000 . 3.500 2.502 2.195 2.550 . 0 0 "[ . 1 ]" 1
6 1 3 GLN HA 1 3 GLN QG 2.000 . 3.500 2.160 1.923 3.271 . 0 0 "[ . 1 ]" 1
7 1 3 GLN HA 1 4 ARG H 2.000 . 2.500 2.403 2.209 2.580 0.080 8 0 "[ . 1 ]" 1
8 1 3 GLN QB 1 3 GLN QG 2.000 . 4.500 2.068 2.036 2.103 . 0 0 "[ . 1 ]" 1
9 1 3 GLN QB 1 4 ARG H 2.000 . 7.000 3.327 2.363 3.954 . 0 0 "[ . 1 ]" 1
10 1 3 GLN QG 1 4 ARG H 2.000 . 7.000 3.414 1.931 4.441 . 0 0 "[ . 1 ]" 1
11 1 4 ARG H 1 4 ARG QB 2.000 . 4.500 2.597 2.056 3.425 . 0 0 "[ . 1 ]" 1
12 1 4 ARG H 1 4 ARG QG 2.000 . 6.000 3.101 1.858 4.449 . 0 0 "[ . 1 ]" 1
13 1 4 ARG HA 1 5 LYS H 2.000 . 2.500 2.319 2.206 2.495 . 0 0 "[ . 1 ]" 1
14 1 4 ARG QD 1 4 ARG QG 2.000 . 4.500 2.090 2.065 2.109 . 0 0 "[ . 1 ]" 1
15 1 4 ARG QG 1 5 LYS H 2.000 . 6.000 3.853 2.567 4.535 . 0 0 "[ . 1 ]" 1
16 1 5 LYS H 1 5 LYS QB 2.000 . 4.500 2.921 2.175 3.364 . 0 0 "[ . 1 ]" 1
17 1 5 LYS H 1 5 LYS QD 2.000 . 7.000 4.274 3.536 5.192 . 0 0 "[ . 1 ]" 1
18 1 5 LYS H 1 6 VAL H 2.000 . 5.000 4.287 3.341 4.620 . 0 0 "[ . 1 ]" 1
19 1 5 LYS HA 1 5 LYS QB 2.000 . 4.500 2.353 2.195 2.550 . 0 0 "[ . 1 ]" 1
20 1 5 LYS HA 1 5 LYS QD 2.000 . 6.000 3.740 2.755 4.276 . 0 0 "[ . 1 ]" 1
21 1 5 LYS HA 1 6 VAL H 2.000 . 2.500 2.349 2.199 2.522 0.022 2 0 "[ . 1 ]" 1
22 1 5 LYS HA 1 6 VAL HA 2.000 . 6.000 4.477 4.402 4.582 . 0 0 "[ . 1 ]" 1
23 1 5 LYS HA 1 6 VAL QG 2.000 . 7.400 3.445 2.905 4.089 . 0 0 "[ . 1 ]" 1
24 1 5 LYS QB 1 5 LYS QD 2.000 . 4.500 2.072 1.892 2.260 . 0 0 "[ . 1 ]" 1
25 1 5 LYS QB 1 6 VAL H 2.000 . 4.500 3.113 2.494 3.922 . 0 0 "[ . 1 ]" 1
26 1 5 LYS QB 1 8 ARG QB 2.000 . 7.000 4.603 3.284 5.603 . 0 0 "[ . 1 ]" 1
27 1 5 LYS QD 1 5 LYS QE 2.000 . 7.000 2.079 2.013 2.114 . 0 0 "[ . 1 ]" 1
28 1 5 LYS QD 1 6 VAL H 2.000 . 7.000 4.756 3.322 5.944 . 0 0 "[ . 1 ]" 1
29 1 5 LYS QD 1 6 VAL QG 2.000 . 9.400 4.985 3.840 5.983 . 0 0 "[ . 1 ]" 1
30 1 5 LYS QG 1 6 VAL H 2.000 . 7.000 3.977 2.949 4.435 . 0 0 "[ . 1 ]" 1
31 1 6 VAL H 1 6 VAL HB 2.000 . 3.500 2.960 2.554 3.570 0.070 11 0 "[ . 1 ]" 1
32 1 6 VAL H 1 6 VAL QG 2.000 . 5.900 2.133 1.804 3.115 . 0 0 "[ . 1 ]" 1
33 1 6 VAL H 1 7 ILE H 2.000 . 5.000 4.256 3.419 4.681 . 0 0 "[ . 1 ]" 1
34 1 6 VAL H 1 34 GLY H 2.000 . 3.500 22.572 20.301 26.251 22.751 11 11 [*-********+] 1
35 1 6 VAL HA 1 6 VAL QG 2.000 . 5.900 2.078 1.969 2.195 . 0 0 "[ . 1 ]" 1
36 1 6 VAL HA 1 7 ILE H 2.000 . 2.500 2.332 2.199 2.583 0.083 2 0 "[ . 1 ]" 1
37 1 6 VAL HA 1 7 ILE HB 2.000 . 5.000 4.342 3.938 4.685 . 0 0 "[ . 1 ]" 1
38 1 6 VAL HB 1 6 VAL QG 2.000 . 4.900 1.895 1.880 1.906 . 0 0 "[ . 1 ]" 1
39 1 6 VAL HB 1 7 ILE H 2.000 . 5.000 3.960 2.837 4.596 . 0 0 "[ . 1 ]" 1
40 1 6 VAL HB 1 17 HIS H 2.000 . 6.000 5.847 5.583 6.103 0.103 8 0 "[ . 1 ]" 1
41 1 6 VAL QG 1 7 ILE H 2.000 . 5.900 2.918 1.874 3.675 . 0 0 "[ . 1 ]" 1
42 1 6 VAL QG 1 8 ARG QB 2.000 . 9.400 5.300 4.158 6.131 . 0 0 "[ . 1 ]" 1
43 1 6 VAL QG 1 16 GLY H 2.000 . 8.400 3.138 1.890 4.899 . 0 0 "[ . 1 ]" 1
44 1 7 ILE H 1 7 ILE HA 2.000 . 2.500 2.542 2.356 2.698 0.198 9 0 "[ . 1 ]" 1
45 1 7 ILE H 1 7 ILE HB 2.000 . 3.500 2.592 1.964 3.523 0.023 11 0 "[ . 1 ]" 1
46 1 7 ILE H 1 7 ILE MD 2.000 . 5.300 3.907 2.404 4.382 . 0 0 "[ . 1 ]" 1
47 1 7 ILE H 1 7 ILE QG 2.000 . 6.000 2.865 1.697 3.723 0.103 6 0 "[ . 1 ]" 1
48 1 7 ILE H 1 7 ILE MG 2.000 . 5.300 3.518 2.941 3.909 . 0 0 "[ . 1 ]" 1
49 1 7 ILE H 1 8 ARG H 2.000 . 6.000 4.221 3.592 4.633 . 0 0 "[ . 1 ]" 1
50 1 7 ILE H 1 16 GLY H 2.000 . 6.000 4.610 4.075 5.396 . 0 0 "[ . 1 ]" 1
51 1 7 ILE H 1 16 GLY QA 2.000 . 7.000 5.671 5.135 6.191 . 0 0 "[ . 1 ]" 1
52 1 7 ILE HA 1 7 ILE MD 2.000 . 3.800 2.521 1.990 3.111 . 0 0 "[ . 1 ]" 1
53 1 7 ILE HA 1 7 ILE QG 2.000 . 6.000 2.346 2.140 3.084 . 0 0 "[ . 1 ]" 1
54 1 7 ILE HA 1 7 ILE MG 2.000 . 3.800 2.798 2.224 3.161 . 0 0 "[ . 1 ]" 1
55 1 7 ILE HA 1 8 ARG H 2.000 . 2.500 2.268 2.185 2.508 0.008 8 0 "[ . 1 ]" 1
56 1 7 ILE HA 1 8 ARG HA 2.000 . 5.000 4.530 4.473 4.651 . 0 0 "[ . 1 ]" 1
57 1 7 ILE HA 1 8 ARG QB 2.000 . 6.000 4.241 3.938 4.725 . 0 0 "[ . 1 ]" 1
58 1 7 ILE HA 1 16 GLY H 2.000 . 6.000 4.946 4.522 5.449 . 0 0 "[ . 1 ]" 1
59 1 7 ILE HA 1 17 HIS H 2.000 . 6.000 5.780 5.219 6.042 0.042 7 0 "[ . 1 ]" 1
60 1 7 ILE HB 1 7 ILE MD 2.000 . 3.800 3.133 2.929 3.184 . 0 0 "[ . 1 ]" 1
61 1 7 ILE HB 1 7 ILE QG 2.000 . 3.500 2.191 2.182 2.205 . 0 0 "[ . 1 ]" 1
62 1 7 ILE HB 1 7 ILE MG 2.000 . 2.800 2.143 2.131 2.151 . 0 0 "[ . 1 ]" 1
63 1 7 ILE HB 1 8 ARG H 2.000 . 5.000 4.496 4.244 4.676 . 0 0 "[ . 1 ]" 1
64 1 7 ILE HB 1 16 GLY H 2.000 . 6.000 4.098 2.598 5.391 . 0 0 "[ . 1 ]" 1
65 1 7 ILE HB 1 17 HIS H 2.000 . 6.000 4.633 2.652 5.950 . 0 0 "[ . 1 ]" 1
66 1 7 ILE MD 1 7 ILE QG 2.000 . 3.800 1.900 1.878 1.917 . 0 0 "[ . 1 ]" 1
67 1 7 ILE MD 1 7 ILE MG 2.000 . 3.100 1.720 1.562 1.855 0.238 5 0 "[ . 1 ]" 1
68 1 7 ILE MD 1 8 ARG H 2.000 . 6.300 3.286 1.898 5.117 . 0 0 "[ . 1 ]" 1
69 1 7 ILE MD 1 17 HIS H 2.000 . 6.300 4.876 4.300 5.359 . 0 0 "[ . 1 ]" 1
70 1 7 ILE MD 1 17 HIS HA 2.000 . 6.300 4.291 3.553 4.889 . 0 0 "[ . 1 ]" 1
71 1 7 ILE MD 1 18 SER H 2.000 . 6.300 4.373 3.562 4.881 . 0 0 "[ . 1 ]" 1
72 1 7 ILE MD 1 18 SER HA 2.000 . 6.300 3.194 1.867 4.722 . 0 0 "[ . 1 ]" 1
73 1 7 ILE MD 1 18 SER HB2 2.000 . 6.300 4.160 2.402 5.195 . 0 0 "[ . 1 ]" 1
74 1 7 ILE QG 1 7 ILE MG 2.000 . 3.800 2.433 2.338 2.648 . 0 0 "[ . 1 ]" 1
75 1 7 ILE MG 1 8 ARG H 2.000 . 5.300 3.431 3.057 3.838 . 0 0 "[ . 1 ]" 1
76 1 7 ILE MG 1 16 GLY H 2.000 . 6.300 3.241 2.298 4.531 . 0 0 "[ . 1 ]" 1
77 1 7 ILE MG 1 16 GLY QA 2.000 . 7.300 4.166 3.248 5.301 . 0 0 "[ . 1 ]" 1
78 1 7 ILE MG 1 17 HIS H 2.000 . 5.300 2.957 2.302 3.696 . 0 0 "[ . 1 ]" 1
79 1 7 ILE MG 1 17 HIS HA 2.000 . 6.300 2.512 2.069 3.693 . 0 0 "[ . 1 ]" 1
80 1 7 ILE MG 1 18 SER H 2.000 . 6.300 3.190 2.693 3.945 . 0 0 "[ . 1 ]" 1
81 1 7 ILE MG 1 18 SER HA 2.000 . 5.300 2.617 1.706 3.518 0.094 6 0 "[ . 1 ]" 1
82 1 7 ILE MG 1 18 SER HB2 2.000 . 6.300 4.163 3.388 4.726 . 0 0 "[ . 1 ]" 1
83 1 8 ARG H 1 8 ARG QB 2.000 . 4.500 2.337 2.092 2.640 . 0 0 "[ . 1 ]" 1
84 1 8 ARG H 1 8 ARG QD 2.000 . 7.000 4.152 3.571 5.006 . 0 0 "[ . 1 ]" 1
85 1 8 ARG H 1 8 ARG QG 2.000 . 6.000 2.991 1.825 3.935 . 0 0 "[ . 1 ]" 1
86 1 8 ARG H 1 15 GLU HA 2.000 . 6.000 3.952 3.549 4.307 . 0 0 "[ . 1 ]" 1
87 1 8 ARG HA 1 8 ARG QB 2.000 . 4.500 2.329 2.199 2.542 . 0 0 "[ . 1 ]" 1
88 1 8 ARG HA 1 8 ARG QG 2.000 . 6.000 2.722 2.066 3.333 . 0 0 "[ . 1 ]" 1
89 1 8 ARG HA 1 9 CYS H 2.000 . 3.500 2.230 2.171 2.294 . 0 0 "[ . 1 ]" 1
90 1 8 ARG HA 1 9 CYS HB2 2.000 . 6.000 5.149 4.616 5.702 . 0 0 "[ . 1 ]" 1
91 1 8 ARG HA 1 9 CYS HB3 2.000 . 6.000 4.386 4.124 4.534 . 0 0 "[ . 1 ]" 1
92 1 8 ARG HA 1 14 LYS H 2.000 . 5.000 3.774 3.316 4.871 . 0 0 "[ . 1 ]" 1
93 1 8 ARG HA 1 14 LYS QD 2.000 . 6.000 4.962 4.309 5.186 . 0 0 "[ . 1 ]" 1
94 1 8 ARG HA 1 15 GLU H 2.000 . 3.500 3.533 3.492 3.636 0.136 7 0 "[ . 1 ]" 1
95 1 8 ARG QB 1 8 ARG QD 2.000 . 5.500 2.181 1.922 2.437 . 0 0 "[ . 1 ]" 1
96 1 8 ARG QB 1 8 ARG HE 2.000 . 6.000 3.027 1.906 4.248 . 0 0 "[ . 1 ]" 1
97 1 8 ARG QB 1 8 ARG QG 2.000 . 4.500 2.085 2.052 2.105 . 0 0 "[ . 1 ]" 1
98 1 8 ARG QB 1 9 CYS H 2.000 . 6.000 3.596 3.099 3.999 . 0 0 "[ . 1 ]" 1
99 1 8 ARG QB 1 15 GLU HA 2.000 . 6.000 3.435 2.281 4.148 . 0 0 "[ . 1 ]" 1
100 1 8 ARG QB 1 16 GLY H 2.000 . 7.000 5.171 4.032 5.736 . 0 0 "[ . 1 ]" 1
101 1 8 ARG QD 1 8 ARG QG 2.000 . 5.500 2.066 2.020 2.114 . 0 0 "[ . 1 ]" 1
102 1 8 ARG QD 1 9 CYS H 2.000 . 7.000 5.046 3.860 5.646 . 0 0 "[ . 1 ]" 1
103 1 8 ARG HE 1 8 ARG QG 2.000 . 6.000 2.484 1.943 3.219 . 0 0 "[ . 1 ]" 1
104 1 8 ARG QG 1 9 CYS H 2.000 . 6.000 3.557 2.331 4.305 . 0 0 "[ . 1 ]" 1
105 1 8 ARG QG 1 15 GLU H 2.000 . 7.000 4.373 2.136 6.163 . 0 0 "[ . 1 ]" 1
106 1 8 ARG QG 1 15 GLU HA 2.000 . 6.000 3.891 2.328 4.892 . 0 0 "[ . 1 ]" 1
107 1 8 ARG QG 1 16 GLY H 2.000 . 7.000 5.515 4.329 6.219 . 0 0 "[ . 1 ]" 1
108 1 9 CYS H 1 9 CYS HB2 2.000 . 3.500 3.040 2.421 3.573 0.073 8 0 "[ . 1 ]" 1
109 1 9 CYS H 1 9 CYS HB3 2.000 . 3.500 2.318 1.998 2.501 . 0 0 "[ . 1 ]" 1
110 1 9 CYS H 1 10 TRP H 2.000 . 6.000 4.569 4.339 4.684 . 0 0 "[ . 1 ]" 1
111 1 9 CYS H 1 13 GLY H 2.000 . 6.000 4.818 4.187 5.195 . 0 0 "[ . 1 ]" 1
112 1 9 CYS H 1 13 GLY QA 2.000 . 7.000 4.317 3.826 5.222 . 0 0 "[ . 1 ]" 1
113 1 9 CYS H 1 14 LYS H 2.000 . 5.000 2.524 1.994 3.460 . 0 0 "[ . 1 ]" 1
114 1 9 CYS H 1 14 LYS HA 2.000 . 5.000 4.391 3.774 5.017 0.017 5 0 "[ . 1 ]" 1
115 1 9 CYS H 1 15 GLU HA 2.000 . 6.000 3.156 2.006 3.856 . 0 0 "[ . 1 ]" 1
116 1 9 CYS H 1 16 GLY H 2.000 . 6.000 4.214 2.875 5.322 . 0 0 "[ . 1 ]" 1
117 1 9 CYS H 1 17 HIS H 2.000 . 6.000 3.514 2.699 4.118 . 0 0 "[ . 1 ]" 1
118 1 9 CYS H 1 17 HIS HD2 2.000 . 6.000 5.347 4.164 5.996 . 0 0 "[ . 1 ]" 1
119 1 9 CYS H 1 18 SER HA 2.000 . 6.000 4.737 3.870 5.385 . 0 0 "[ . 1 ]" 1
120 1 9 CYS HA 1 10 TRP H 2.000 . 2.500 2.266 2.172 2.371 . 0 0 "[ . 1 ]" 1
121 1 9 CYS HA 1 11 ASN H 2.000 . 6.000 4.439 3.448 6.239 0.239 1 0 "[ . 1 ]" 1
122 1 9 CYS HA 1 19 ALA H 2.000 . 5.000 3.572 2.414 4.595 . 0 0 "[ . 1 ]" 1
123 1 9 CYS HB2 1 10 TRP H 2.000 . 6.000 3.720 2.846 4.546 . 0 0 "[ . 1 ]" 1
124 1 9 CYS HB2 1 12 CYS H 2.000 . 6.000 4.215 3.310 5.489 . 0 0 "[ . 1 ]" 1
125 1 9 CYS HB2 1 13 GLY H 2.000 . 5.000 4.598 4.104 5.024 0.024 4 0 "[ . 1 ]" 1
126 1 9 CYS HB2 1 17 HIS H 2.000 . 5.000 3.975 2.481 5.046 0.046 8 0 "[ . 1 ]" 1
127 1 9 CYS HB2 1 17 HIS HD2 2.000 . 3.500 3.089 2.364 3.508 0.008 5 0 "[ . 1 ]" 1
128 1 9 CYS HB2 1 18 SER HA 2.000 . 5.000 4.238 3.451 5.001 0.001 6 0 "[ . 1 ]" 1
129 1 9 CYS HB3 1 10 TRP H 2.000 . 6.000 4.286 3.986 4.594 . 0 0 "[ . 1 ]" 1
130 1 9 CYS HB3 1 12 CYS H 2.000 . 6.000 4.294 3.516 4.840 . 0 0 "[ . 1 ]" 1
131 1 9 CYS HB3 1 13 GLY H 2.000 . 5.000 4.172 3.249 5.021 0.021 11 0 "[ . 1 ]" 1
132 1 9 CYS HB3 1 14 LYS H 2.000 . 5.000 2.970 1.798 4.341 0.002 4 0 "[ . 1 ]" 1
133 1 9 CYS HB3 1 17 HIS H 2.000 . 6.000 3.847 3.086 4.733 . 0 0 "[ . 1 ]" 1
134 1 9 CYS HB3 1 17 HIS HD2 2.000 . 5.000 3.706 2.021 4.968 . 0 0 "[ . 1 ]" 1
135 1 10 TRP H 1 10 TRP QB 2.000 . 4.500 2.095 1.954 2.283 . 0 0 "[ . 1 ]" 1
136 1 10 TRP H 1 10 TRP HD1 2.000 . 6.000 4.852 4.031 5.324 . 0 0 "[ . 1 ]" 1
137 1 10 TRP H 1 10 TRP HE3 2.000 . 6.000 3.276 1.684 5.065 0.116 2 0 "[ . 1 ]" 1
138 1 10 TRP H 1 11 ASN H 2.000 . 6.000 2.769 2.303 4.618 . 0 0 "[ . 1 ]" 1
139 1 10 TRP H 1 11 ASN QB 2.000 . 7.000 4.197 3.684 4.703 . 0 0 "[ . 1 ]" 1
140 1 10 TRP H 1 12 CYS H 2.000 . 6.000 4.250 3.501 4.795 . 0 0 "[ . 1 ]" 1
141 1 10 TRP H 1 18 SER HA 2.000 . 6.000 4.147 2.405 5.055 . 0 0 "[ . 1 ]" 1
142 1 10 TRP H 1 19 ALA H 2.000 . 6.000 3.501 2.506 4.084 . 0 0 "[ . 1 ]" 1
143 1 10 TRP H 1 19 ALA HA 2.000 . 6.000 3.086 2.274 4.037 . 0 0 "[ . 1 ]" 1
144 1 10 TRP H 1 19 ALA MB 2.000 . 5.300 2.321 1.822 3.536 . 0 0 "[ . 1 ]" 1
145 1 10 TRP HA 1 10 TRP QB 2.000 . 4.500 2.305 2.172 2.530 . 0 0 "[ . 1 ]" 1
146 1 10 TRP HA 1 10 TRP HD1 2.000 . 5.000 3.341 1.862 4.290 . 0 0 "[ . 1 ]" 1
147 1 10 TRP HA 1 10 TRP HE3 2.000 . 5.000 4.587 4.043 5.158 0.158 10 0 "[ . 1 ]" 1
148 1 10 TRP HA 1 13 GLY H 2.000 . 6.000 3.425 3.108 3.735 . 0 0 "[ . 1 ]" 1
149 1 10 TRP HA 1 19 ALA MB 2.000 . 5.300 4.002 3.671 4.160 . 0 0 "[ . 1 ]" 1
150 1 10 TRP QB 1 11 ASN H 2.000 . 7.000 2.776 1.730 3.788 0.070 4 0 "[ . 1 ]" 1
151 1 10 TRP QB 1 19 ALA H 2.000 . 7.000 3.989 2.867 4.836 . 0 0 "[ . 1 ]" 1
152 1 10 TRP QB 1 19 ALA MB 2.000 . 4.800 1.993 1.660 2.976 0.140 4 0 "[ . 1 ]" 1
153 1 10 TRP QB 1 20 ARG H 2.000 . 7.000 5.532 4.605 6.095 . 0 0 "[ . 1 ]" 1
154 1 10 TRP QB 1 31 TRP HE3 2.000 . 6.000 5.016 3.764 5.501 . 0 0 "[ . 1 ]" 1
155 1 10 TRP QB 1 31 TRP HZ2 2.000 . 4.500 3.837 2.824 4.111 . 0 0 "[ . 1 ]" 1
156 1 10 TRP HD1 1 19 ALA MB 2.000 . 5.300 4.334 3.901 4.521 . 0 0 "[ . 1 ]" 1
157 1 10 TRP HE1 1 19 ALA MB 2.000 . 6.300 4.715 3.685 5.139 . 0 0 "[ . 1 ]" 1
158 1 10 TRP HE1 1 31 TRP HA 2.000 . 6.000 5.594 3.698 6.176 0.176 4 0 "[ . 1 ]" 1
159 1 10 TRP HE3 1 11 ASN HA 2.000 . 6.000 4.956 1.865 6.252 0.252 2 0 "[ . 1 ]" 1
160 1 10 TRP HE3 1 19 ALA MB 2.000 . 5.300 1.808 1.598 2.351 0.202 9 0 "[ . 1 ]" 1
161 1 10 TRP HH2 1 10 TRP HZ3 2.000 . 2.500 2.471 2.449 2.482 . 0 0 "[ . 1 ]" 1
162 1 10 TRP HH2 1 19 ALA MB 2.000 . 5.300 4.225 3.275 4.743 . 0 0 "[ . 1 ]" 1
163 1 11 ASN H 1 11 ASN QB 2.000 . 6.000 2.250 1.907 3.160 . 0 0 "[ . 1 ]" 1
164 1 11 ASN H 1 11 ASN QD 2.000 . 7.000 4.463 3.824 5.373 . 0 0 "[ . 1 ]" 1
165 1 11 ASN H 1 12 CYS H 2.000 . 5.000 2.909 2.094 3.482 . 0 0 "[ . 1 ]" 1
166 1 11 ASN H 1 13 GLY H 2.000 . 6.000 3.828 3.157 4.186 . 0 0 "[ . 1 ]" 1
167 1 11 ASN H 1 19 ALA HA 2.000 . 6.000 3.144 2.072 5.083 . 0 0 "[ . 1 ]" 1
168 1 11 ASN H 1 19 ALA MB 2.000 . 5.300 2.638 1.821 4.024 . 0 0 "[ . 1 ]" 1
169 1 11 ASN HA 1 11 ASN QB 2.000 . 6.000 2.316 2.178 2.539 . 0 0 "[ . 1 ]" 1
170 1 11 ASN HA 1 12 CYS H 2.000 . 6.000 3.545 3.440 3.593 . 0 0 "[ . 1 ]" 1
171 1 11 ASN HA 1 27 ARG HE 2.000 . 6.000 4.567 2.682 6.041 0.041 11 0 "[ . 1 ]" 1
172 1 11 ASN QB 1 11 ASN QD 2.000 . 7.000 2.367 2.169 2.671 . 0 0 "[ . 1 ]" 1
173 1 11 ASN QB 1 12 CYS H 2.000 . 6.000 2.845 1.998 3.514 . 0 0 "[ . 1 ]" 1
174 1 11 ASN QB 1 13 GLY H 2.000 . 7.000 4.432 3.746 4.906 . 0 0 "[ . 1 ]" 1
175 1 11 ASN QB 1 19 ALA MB 2.000 . 6.300 2.995 1.917 4.187 . 0 0 "[ . 1 ]" 1
176 1 11 ASN QB 1 24 ALA MB 2.000 . 7.300 3.676 2.838 5.224 . 0 0 "[ . 1 ]" 1
177 1 11 ASN QD 1 12 CYS H 2.000 . 7.000 4.009 2.514 5.098 . 0 0 "[ . 1 ]" 1
178 1 11 ASN QD 1 12 CYS HB2 2.000 . 7.000 4.929 3.309 6.057 . 0 0 "[ . 1 ]" 1
179 1 11 ASN QD 1 12 CYS HB3 2.000 . 7.000 3.552 1.781 4.828 0.019 7 0 "[ . 1 ]" 1
180 1 11 ASN QD 1 22 CYS H 2.000 . 7.000 5.495 4.716 6.250 . 0 0 "[ . 1 ]" 1
181 1 11 ASN QD 1 22 CYS QB 2.000 . 8.000 3.468 1.772 4.245 0.028 7 0 "[ . 1 ]" 1
182 1 11 ASN QD 1 23 ARG QD 2.000 . 8.000 3.479 2.464 4.521 . 0 0 "[ . 1 ]" 1
183 1 11 ASN QD 1 24 ALA H 2.000 . 7.000 2.791 1.935 3.674 . 0 0 "[ . 1 ]" 1
184 1 11 ASN QD 1 24 ALA MB 2.000 . 6.300 2.238 1.653 3.023 0.147 10 0 "[ . 1 ]" 1
185 1 11 ASN QD 1 26 ARG H 2.000 . 7.000 5.713 4.672 6.258 . 0 0 "[ . 1 ]" 1
186 1 11 ASN QD 1 27 ARG H 2.000 . 7.000 3.867 2.768 4.544 . 0 0 "[ . 1 ]" 1
187 1 11 ASN QD 1 27 ARG HA 2.000 . 6.000 3.161 1.840 4.567 . 0 0 "[ . 1 ]" 1
188 1 11 ASN QD 1 27 ARG QG 2.000 . 8.000 2.440 1.753 3.493 0.047 1 0 "[ . 1 ]" 1
189 1 12 CYS H 1 12 CYS QB 2.000 . 7.000 2.691 2.422 2.837 . 0 0 "[ . 1 ]" 1
190 1 12 CYS H 1 13 GLY H 2.000 . 3.500 1.991 1.842 2.281 . 0 0 "[ . 1 ]" 1
191 1 12 CYS H 1 13 GLY QA 2.000 . 7.000 3.986 3.862 4.269 . 0 0 "[ . 1 ]" 1
192 1 12 CYS H 1 14 LYS H 2.000 . 6.000 4.488 3.740 4.910 . 0 0 "[ . 1 ]" 1
193 1 12 CYS H 1 19 ALA MB 2.000 . 6.300 4.796 3.962 5.213 . 0 0 "[ . 1 ]" 1
194 1 12 CYS H 1 24 ALA MB 2.000 . 6.300 4.071 3.409 5.082 . 0 0 "[ . 1 ]" 1
195 1 12 CYS HA 1 12 CYS HB3 2.000 . 2.500 2.554 2.505 2.600 0.100 4 0 "[ . 1 ]" 1
196 1 12 CYS HA 1 13 GLY H 2.000 . 6.000 3.405 3.284 3.514 . 0 0 "[ . 1 ]" 1
197 1 12 CYS HA 1 24 ALA MB 2.000 . 6.300 3.076 2.123 4.134 . 0 0 "[ . 1 ]" 1
198 1 12 CYS QB 1 13 GLY H 2.000 . 7.000 3.701 3.516 3.859 . 0 0 "[ . 1 ]" 1
199 1 12 CYS HB2 1 14 LYS H 2.000 . 6.000 5.624 5.059 6.031 0.031 9 0 "[ . 1 ]" 1
200 1 12 CYS HB2 1 24 ALA MB 2.000 . 3.800 3.056 2.459 3.270 . 0 0 "[ . 1 ]" 1
201 1 12 CYS HB3 1 14 LYS H 2.000 . 6.000 5.862 5.198 6.104 0.104 4 0 "[ . 1 ]" 1
202 1 12 CYS HB3 1 24 ALA MB 2.000 . 3.800 2.378 1.880 2.967 . 0 0 "[ . 1 ]" 1
203 1 13 GLY H 1 14 LYS H 2.000 . 5.000 3.115 2.428 3.588 . 0 0 "[ . 1 ]" 1
204 1 13 GLY H 1 14 LYS HA 2.000 . 6.000 5.520 5.117 5.860 . 0 0 "[ . 1 ]" 1
205 1 13 GLY H 1 14 LYS QG 2.000 . 7.000 5.989 5.793 6.184 . 0 0 "[ . 1 ]" 1
206 1 13 GLY QA 1 14 LYS H 2.000 . 7.000 2.406 2.277 2.657 . 0 0 "[ . 1 ]" 1
207 1 14 LYS H 1 14 LYS QB 2.000 . 4.500 2.795 2.556 2.928 . 0 0 "[ . 1 ]" 1
208 1 14 LYS H 1 14 LYS QD 2.000 . 5.000 4.331 4.228 4.474 . 0 0 "[ . 1 ]" 1
209 1 14 LYS H 1 14 LYS QE 2.000 . 7.000 5.987 5.525 6.268 . 0 0 "[ . 1 ]" 1
210 1 14 LYS H 1 14 LYS QG 2.000 . 6.000 4.244 4.072 4.339 . 0 0 "[ . 1 ]" 1
211 1 14 LYS H 1 15 GLU H 2.000 . 6.000 4.031 3.835 4.294 . 0 0 "[ . 1 ]" 1
212 1 14 LYS HA 1 14 LYS QB 2.000 . 3.500 2.439 2.289 2.532 . 0 0 "[ . 1 ]" 1
213 1 14 LYS HA 1 14 LYS QG 2.000 . 4.500 2.551 2.112 3.184 . 0 0 "[ . 1 ]" 1
214 1 14 LYS HA 1 14 LYS QZ 2.000 . 5.300 3.346 2.487 3.960 . 0 0 "[ . 1 ]" 1
215 1 14 LYS HA 1 15 GLU H 2.000 . 2.500 2.215 2.185 2.278 . 0 0 "[ . 1 ]" 1
216 1 14 LYS HA 1 15 GLU QG 2.000 . 6.000 4.421 3.658 5.114 . 0 0 "[ . 1 ]" 1
217 1 14 LYS QB 1 14 LYS QD 2.000 . 4.500 2.368 2.204 2.547 . 0 0 "[ . 1 ]" 1
218 1 14 LYS QB 1 14 LYS QG 2.000 . 4.500 2.025 1.997 2.050 . 0 0 "[ . 1 ]" 1
219 1 14 LYS QB 1 14 LYS QZ 2.000 . 6.300 3.764 3.061 4.130 . 0 0 "[ . 1 ]" 1
220 1 14 LYS QB 1 15 GLU H 2.000 . 4.500 3.775 3.597 3.944 . 0 0 "[ . 1 ]" 1
221 1 14 LYS QD 1 14 LYS QE 2.000 . 4.500 2.072 2.059 2.108 . 0 0 "[ . 1 ]" 1
222 1 14 LYS QD 1 14 LYS QG 2.000 . 4.500 2.089 2.052 2.109 . 0 0 "[ . 1 ]" 1
223 1 14 LYS QD 1 14 LYS QZ 2.000 . 4.800 1.887 1.767 1.962 0.033 7 0 "[ . 1 ]" 1
224 1 14 LYS QD 1 15 GLU H 2.000 . 4.500 2.245 1.929 2.907 . 0 0 "[ . 1 ]" 1
225 1 14 LYS QE 1 14 LYS QG 2.000 . 4.500 2.097 1.960 2.230 . 0 0 "[ . 1 ]" 1
226 1 14 LYS QG 1 14 LYS QZ 2.000 . 6.300 2.760 2.109 3.385 . 0 0 "[ . 1 ]" 1
227 1 14 LYS QG 1 15 GLU H 2.000 . 7.000 3.500 2.521 3.930 . 0 0 "[ . 1 ]" 1
228 1 14 LYS QZ 1 15 GLU QB 2.000 . 3.800 2.577 2.188 2.949 . 0 0 "[ . 1 ]" 1
229 1 15 GLU H 1 15 GLU QB 2.000 . 3.500 2.149 1.923 2.564 . 0 0 "[ . 1 ]" 1
230 1 15 GLU H 1 15 GLU QG 2.000 . 6.000 2.691 1.830 3.357 . 0 0 "[ . 1 ]" 1
231 1 15 GLU H 1 16 GLY H 2.000 . 6.000 4.574 3.957 4.685 . 0 0 "[ . 1 ]" 1
232 1 15 GLU HA 1 15 GLU QB 2.000 . 4.500 2.373 2.184 2.546 . 0 0 "[ . 1 ]" 1
233 1 15 GLU HA 1 15 GLU QG 2.000 . 6.000 2.659 1.969 3.399 . 0 0 "[ . 1 ]" 1
234 1 15 GLU HA 1 16 GLY H 2.000 . 3.500 2.383 2.273 2.597 . 0 0 "[ . 1 ]" 1
235 1 15 GLU QB 1 15 GLU QG 2.000 . 4.500 2.070 1.986 2.108 . 0 0 "[ . 1 ]" 1
236 1 15 GLU QB 1 16 GLY H 2.000 . 6.000 3.030 2.215 3.966 . 0 0 "[ . 1 ]" 1
237 1 15 GLU QG 1 16 GLY H 2.000 . 7.000 3.736 3.194 5.004 . 0 0 "[ . 1 ]" 1
238 1 16 GLY H 1 17 HIS H 2.000 . 3.500 2.412 1.870 2.758 . 0 0 "[ . 1 ]" 1
239 1 16 GLY H 1 17 HIS HA 2.000 . 5.000 4.405 4.234 4.581 . 0 0 "[ . 1 ]" 1
240 1 16 GLY QA 1 17 HIS H 2.000 . 6.000 2.788 2.661 2.906 . 0 0 "[ . 1 ]" 1
241 1 17 HIS H 1 17 HIS QB 2.000 . 6.000 3.237 3.081 3.299 . 0 0 "[ . 1 ]" 1
242 1 17 HIS H 1 18 SER H 2.000 . 6.000 4.376 4.310 4.421 . 0 0 "[ . 1 ]" 1
243 1 17 HIS HA 1 17 HIS QB 2.000 . 3.500 2.199 2.191 2.202 . 0 0 "[ . 1 ]" 1
244 1 17 HIS HA 1 17 HIS HD2 2.000 . 5.000 4.759 4.486 4.910 . 0 0 "[ . 1 ]" 1
245 1 17 HIS HA 1 18 SER H 2.000 . 3.500 2.692 2.524 2.868 . 0 0 "[ . 1 ]" 1
246 1 17 HIS QB 1 18 SER H 2.000 . 4.500 2.102 1.853 2.581 . 0 0 "[ . 1 ]" 1
247 1 17 HIS QB 1 21 GLN H 2.000 . 7.000 4.535 4.019 5.389 . 0 0 "[ . 1 ]" 1
248 1 17 HIS QB 1 21 GLN QB 2.000 . 5.500 2.914 2.214 4.061 . 0 0 "[ . 1 ]" 1
249 1 17 HIS QB 1 21 GLN QG 2.000 . 7.000 3.049 2.058 3.852 . 0 0 "[ . 1 ]" 1
250 1 17 HIS QB 1 22 CYS H 2.000 . 7.000 4.387 3.605 4.922 . 0 0 "[ . 1 ]" 1
251 1 17 HIS HD2 1 18 SER H 2.000 . 6.000 3.641 3.390 3.950 . 0 0 "[ . 1 ]" 1
252 1 17 HIS HD2 1 18 SER HA 2.000 . 5.000 4.735 4.151 5.000 0.000 4 0 "[ . 1 ]" 1
253 1 17 HIS HD2 1 19 ALA HA 2.000 . 6.000 4.283 3.928 4.761 . 0 0 "[ . 1 ]" 1
254 1 17 HIS HD2 1 20 ARG H 2.000 . 6.000 5.695 5.087 5.970 . 0 0 "[ . 1 ]" 1
255 1 17 HIS HD2 1 21 GLN H 2.000 . 6.000 4.099 3.344 5.274 . 0 0 "[ . 1 ]" 1
256 1 17 HIS HD2 1 21 GLN QB 2.000 . 7.000 3.187 1.903 5.956 . 0 0 "[ . 1 ]" 1
257 1 17 HIS HD2 1 21 GLN QG 2.000 . 4.500 3.747 3.111 4.088 . 0 0 "[ . 1 ]" 1
258 1 17 HIS HD2 1 22 CYS H 2.000 . 6.000 2.858 2.117 3.919 . 0 0 "[ . 1 ]" 1
259 1 17 HIS HD2 1 22 CYS HA 2.000 . 5.000 3.897 3.214 4.252 . 0 0 "[ . 1 ]" 1
260 1 17 HIS HD2 1 22 CYS QB 2.000 . 4.500 2.163 1.781 3.997 0.019 10 0 "[ . 1 ]" 1
261 1 17 HIS HD2 1 23 ARG H 2.000 . 6.000 5.871 5.341 6.010 0.010 6 0 "[ . 1 ]" 1
262 1 18 SER H 1 19 ALA H 2.000 . 6.000 4.464 4.215 4.597 . 0 0 "[ . 1 ]" 1
263 1 18 SER H 1 20 ARG H 2.000 . 6.000 4.732 3.943 5.680 . 0 0 "[ . 1 ]" 1
264 1 18 SER H 1 21 GLN H 2.000 . 6.000 4.003 3.573 4.497 . 0 0 "[ . 1 ]" 1
265 1 18 SER H 1 21 GLN HA 2.000 . 6.000 5.911 5.483 6.077 0.077 3 0 "[ . 1 ]" 1
266 1 18 SER H 1 21 GLN QB 2.000 . 6.000 3.222 2.571 4.338 . 0 0 "[ . 1 ]" 1
267 1 18 SER H 1 21 GLN QG 2.000 . 6.000 3.803 2.128 4.832 . 0 0 "[ . 1 ]" 1
268 1 18 SER HA 1 19 ALA H 2.000 . 3.500 2.633 2.311 2.928 . 0 0 "[ . 1 ]" 1
269 1 18 SER HA 1 20 ARG H 2.000 . 6.000 4.383 4.031 4.795 . 0 0 "[ . 1 ]" 1
270 1 18 SER HB2 1 19 ALA H 2.000 . 5.000 2.339 1.862 2.973 . 0 0 "[ . 1 ]" 1
271 1 18 SER HB2 1 19 ALA MB 2.000 . 6.300 3.860 3.510 4.171 . 0 0 "[ . 1 ]" 1
272 1 18 SER HB2 1 20 ARG H 2.000 . 6.000 2.731 2.188 3.686 . 0 0 "[ . 1 ]" 1
273 1 18 SER HB3 1 19 ALA H 2.000 . 3.500 3.426 3.184 3.588 0.088 6 0 "[ . 1 ]" 1
274 1 18 SER HB3 1 19 ALA MB 2.000 . 6.300 4.956 4.799 5.140 . 0 0 "[ . 1 ]" 1
275 1 19 ALA H 1 19 ALA MB 2.000 . 3.800 2.083 1.968 2.176 . 0 0 "[ . 1 ]" 1
276 1 19 ALA H 1 20 ARG H 2.000 . 6.000 2.504 2.347 2.962 . 0 0 "[ . 1 ]" 1
277 1 19 ALA H 1 20 ARG QB 2.000 . 7.000 4.227 3.948 4.595 . 0 0 "[ . 1 ]" 1
278 1 19 ALA HA 1 19 ALA MB 2.000 . 3.800 2.136 2.111 2.155 . 0 0 "[ . 1 ]" 1
279 1 19 ALA HA 1 20 ARG H 2.000 . 6.000 3.473 3.302 3.587 . 0 0 "[ . 1 ]" 1
280 1 19 ALA HA 1 20 ARG HA 2.000 . 6.000 4.847 4.728 4.987 . 0 0 "[ . 1 ]" 1
281 1 19 ALA HA 1 21 GLN H 2.000 . 6.000 3.762 3.340 4.273 . 0 0 "[ . 1 ]" 1
282 1 19 ALA HA 1 22 CYS H 2.000 . 6.000 3.223 2.698 3.628 . 0 0 "[ . 1 ]" 1
283 1 19 ALA MB 1 20 ARG H 2.000 . 5.300 2.832 2.196 3.261 . 0 0 "[ . 1 ]" 1
284 1 19 ALA MB 1 20 ARG HA 2.000 . 5.300 3.903 3.749 4.067 . 0 0 "[ . 1 ]" 1
285 1 19 ALA MB 1 20 ARG QB 2.000 . 7.300 3.996 3.735 4.165 . 0 0 "[ . 1 ]" 1
286 1 19 ALA MB 1 21 GLN H 2.000 . 6.300 4.370 4.152 4.744 . 0 0 "[ . 1 ]" 1
287 1 19 ALA MB 1 22 CYS H 2.000 . 6.300 4.564 4.046 4.975 . 0 0 "[ . 1 ]" 1
288 1 19 ALA MB 1 22 CYS QB 2.000 . 6.300 4.167 3.241 4.719 . 0 0 "[ . 1 ]" 1
289 1 20 ARG H 1 20 ARG QB 2.000 . 4.500 2.222 2.081 2.454 . 0 0 "[ . 1 ]" 1
290 1 20 ARG H 1 20 ARG QD 2.000 . 7.000 3.969 1.854 4.826 . 0 0 "[ . 1 ]" 1
291 1 20 ARG H 1 20 ARG QG 2.000 . 6.000 3.335 2.015 3.926 . 0 0 "[ . 1 ]" 1
292 1 20 ARG H 1 21 GLN H 2.000 . 5.000 2.628 2.318 2.944 . 0 0 "[ . 1 ]" 1
293 1 20 ARG H 1 21 GLN HA 2.000 . 6.000 5.284 5.084 5.574 . 0 0 "[ . 1 ]" 1
294 1 20 ARG H 1 21 GLN QG 2.000 . 7.000 5.234 3.368 6.351 . 0 0 "[ . 1 ]" 1
295 1 20 ARG H 1 22 CYS H 2.000 . 6.000 4.175 3.576 4.557 . 0 0 "[ . 1 ]" 1
296 1 20 ARG HA 1 20 ARG QB 2.000 . 3.500 2.300 2.194 2.481 . 0 0 "[ . 1 ]" 1
297 1 20 ARG HA 1 20 ARG QD 2.000 . 6.000 4.010 3.634 4.455 . 0 0 "[ . 1 ]" 1
298 1 20 ARG HA 1 20 ARG QG 2.000 . 4.500 2.776 2.272 3.361 . 0 0 "[ . 1 ]" 1
299 1 20 ARG HA 1 21 GLN H 2.000 . 6.000 3.452 3.134 3.544 . 0 0 "[ . 1 ]" 1
300 1 20 ARG HA 1 22 CYS H 2.000 . 6.000 4.764 4.369 5.194 . 0 0 "[ . 1 ]" 1
301 1 20 ARG QB 1 21 GLN H 2.000 . 7.000 3.150 2.581 3.974 . 0 0 "[ . 1 ]" 1
302 1 20 ARG QB 1 22 CYS H 2.000 . 7.000 5.025 4.549 5.656 . 0 0 "[ . 1 ]" 1
303 1 20 ARG QD 1 20 ARG QG 2.000 . 4.500 2.066 2.010 2.108 . 0 0 "[ . 1 ]" 1
304 1 20 ARG HE 1 20 ARG QG 2.000 . 7.000 2.433 1.987 3.130 . 0 0 "[ . 1 ]" 1
305 1 20 ARG QG 1 21 GLN H 2.000 . 7.000 3.272 1.829 4.295 . 0 0 "[ . 1 ]" 1
306 1 20 ARG QG 1 21 GLN QG 2.000 . 7.000 4.416 2.097 5.255 . 0 0 "[ . 1 ]" 1
307 1 20 ARG QG 1 22 CYS H 2.000 . 7.000 5.067 3.961 5.860 . 0 0 "[ . 1 ]" 1
308 1 21 GLN H 1 21 GLN QB 2.000 . 4.500 2.304 2.078 2.918 . 0 0 "[ . 1 ]" 1
309 1 21 GLN H 1 21 GLN QG 2.000 . 6.000 3.302 1.886 4.017 . 0 0 "[ . 1 ]" 1
310 1 21 GLN H 1 22 CYS H 2.000 . 3.500 2.216 1.856 2.540 . 0 0 "[ . 1 ]" 1
311 1 21 GLN H 1 22 CYS HA 2.000 . 6.000 4.952 4.619 5.211 . 0 0 "[ . 1 ]" 1
312 1 21 GLN H 1 22 CYS QB 2.000 . 7.000 3.937 3.558 4.182 . 0 0 "[ . 1 ]" 1
313 1 21 GLN HA 1 21 GLN QB 2.000 . 3.500 2.371 2.203 2.520 . 0 0 "[ . 1 ]" 1
314 1 21 GLN HA 1 21 GLN QG 2.000 . 4.500 2.508 2.047 3.303 . 0 0 "[ . 1 ]" 1
315 1 21 GLN HA 1 22 CYS H 2.000 . 5.000 3.538 3.437 3.584 . 0 0 "[ . 1 ]" 1
316 1 21 GLN QB 1 21 GLN QE 2.000 . 8.000 2.946 1.901 3.550 . 0 0 "[ . 1 ]" 1
317 1 21 GLN QB 1 21 GLN QG 2.000 . 4.500 2.079 2.046 2.107 . 0 0 "[ . 1 ]" 1
318 1 21 GLN QB 1 22 CYS H 2.000 . 7.000 2.749 2.217 3.534 . 0 0 "[ . 1 ]" 1
319 1 21 GLN QE 1 21 GLN QG 2.000 . 7.000 2.315 2.178 2.611 . 0 0 "[ . 1 ]" 1
320 1 21 GLN QG 1 22 CYS H 2.000 . 7.000 3.490 2.072 4.272 . 0 0 "[ . 1 ]" 1
321 1 22 CYS H 1 22 CYS QB 2.000 . 4.500 2.093 1.994 2.373 . 0 0 "[ . 1 ]" 1
322 1 22 CYS H 1 23 ARG H 2.000 . 6.000 4.552 4.477 4.607 . 0 0 "[ . 1 ]" 1
323 1 22 CYS HA 1 22 CYS QB 2.000 . 4.500 2.499 2.362 2.548 . 0 0 "[ . 1 ]" 1
324 1 22 CYS HA 1 23 ARG H 2.000 . 3.500 2.186 2.095 2.258 . 0 0 "[ . 1 ]" 1
325 1 22 CYS HA 1 23 ARG QG 2.000 . 6.000 5.188 3.750 5.565 . 0 0 "[ . 1 ]" 1
326 1 22 CYS HA 1 24 ALA H 2.000 . 3.500 3.591 3.525 3.692 0.192 7 0 "[ . 1 ]" 1
327 1 22 CYS QB 1 23 ARG H 2.000 . 7.000 3.463 3.005 3.858 . 0 0 "[ . 1 ]" 1
328 1 22 CYS QB 1 24 ALA H 2.000 . 7.000 3.638 3.060 4.463 . 0 0 "[ . 1 ]" 1
329 1 23 ARG H 1 23 ARG QB 2.000 . 6.000 2.373 2.102 2.638 . 0 0 "[ . 1 ]" 1
330 1 23 ARG H 1 23 ARG QD 2.000 . 7.000 4.376 4.194 4.765 . 0 0 "[ . 1 ]" 1
331 1 23 ARG H 1 23 ARG QG 2.000 . 4.500 3.694 2.965 4.070 . 0 0 "[ . 1 ]" 1
332 1 23 ARG H 1 24 ALA H 2.000 . 2.500 2.014 1.752 2.476 0.048 4 0 "[ . 1 ]" 1
333 1 23 ARG H 1 24 ALA MB 2.000 . 5.300 3.962 3.474 4.349 . 0 0 "[ . 1 ]" 1
334 1 23 ARG H 1 27 ARG QG 2.000 . 6.000 5.227 4.532 5.488 . 0 0 "[ . 1 ]" 1
335 1 23 ARG HA 1 23 ARG QB 2.000 . 4.500 2.368 2.203 2.553 . 0 0 "[ . 1 ]" 1
336 1 23 ARG HA 1 23 ARG QD 2.000 . 6.000 2.303 1.823 3.530 . 0 0 "[ . 1 ]" 1
337 1 23 ARG HA 1 23 ARG QG 2.000 . 6.000 2.840 1.980 3.330 . 0 0 "[ . 1 ]" 1
338 1 23 ARG QB 1 23 ARG QD 2.000 . 7.000 2.348 2.006 2.629 . 0 0 "[ . 1 ]" 1
339 1 23 ARG QB 1 23 ARG QG 2.000 . 5.500 2.022 1.984 2.060 . 0 0 "[ . 1 ]" 1
340 1 23 ARG QB 1 24 ALA H 2.000 . 7.000 3.489 3.167 3.783 . 0 0 "[ . 1 ]" 1
341 1 23 ARG QD 1 23 ARG QG 2.000 . 4.500 2.070 2.063 2.093 . 0 0 "[ . 1 ]" 1
342 1 23 ARG QD 1 24 ALA H 2.000 . 7.000 4.409 4.010 5.041 . 0 0 "[ . 1 ]" 1
343 1 23 ARG QD 1 27 ARG H 2.000 . 7.000 4.836 2.690 6.105 . 0 0 "[ . 1 ]" 1
344 1 23 ARG QD 1 28 GLN H 2.000 . 7.000 6.179 5.536 6.339 . 0 0 "[ . 1 ]" 1
345 1 23 ARG QG 1 24 ALA H 2.000 . 6.000 4.186 3.078 4.948 . 0 0 "[ . 1 ]" 1
346 1 24 ALA H 1 24 ALA MB 2.000 . 3.800 2.398 1.992 2.650 . 0 0 "[ . 1 ]" 1
347 1 24 ALA H 1 25 PRO QD 2.000 . 7.000 4.420 4.297 4.547 . 0 0 "[ . 1 ]" 1
348 1 24 ALA H 1 27 ARG H 2.000 . 6.000 5.624 4.975 6.234 0.234 9 0 "[ . 1 ]" 1
349 1 24 ALA HA 1 24 ALA MB 2.000 . 2.800 2.145 2.132 2.160 . 0 0 "[ . 1 ]" 1
350 1 24 ALA HA 1 25 PRO HA 2.000 . 6.000 4.407 4.356 4.457 . 0 0 "[ . 1 ]" 1
351 1 24 ALA HA 1 25 PRO QD 2.000 . 4.500 2.484 2.090 3.078 . 0 0 "[ . 1 ]" 1
352 1 24 ALA HA 1 25 PRO QG 2.000 . 6.000 4.384 4.005 4.926 . 0 0 "[ . 1 ]" 1
353 1 24 ALA MB 1 25 PRO HA 2.000 . 6.300 4.318 4.207 4.465 . 0 0 "[ . 1 ]" 1
354 1 24 ALA MB 1 25 PRO QD 2.000 . 3.800 1.793 1.601 2.054 0.199 9 0 "[ . 1 ]" 1
355 1 24 ALA MB 1 25 PRO QG 2.000 . 6.300 3.379 3.197 3.657 . 0 0 "[ . 1 ]" 1
356 1 24 ALA MB 1 26 ARG H 2.000 . 5.300 3.727 2.769 4.298 . 0 0 "[ . 1 ]" 1
357 1 25 PRO HA 1 25 PRO QD 2.000 . 7.000 3.404 3.326 3.499 . 0 0 "[ . 1 ]" 1
358 1 25 PRO HA 1 26 ARG H 2.000 . 3.500 3.520 3.460 3.574 0.074 7 0 "[ . 1 ]" 1
359 1 25 PRO QB 1 25 PRO QD 2.000 . 7.000 2.827 2.748 2.942 . 0 0 "[ . 1 ]" 1
360 1 25 PRO QB 1 25 PRO QG 2.000 . 4.500 1.956 1.942 1.964 . 0 0 "[ . 1 ]" 1
361 1 25 PRO QB 1 26 ARG H 2.000 . 6.000 2.295 1.801 3.122 . 0 0 "[ . 1 ]" 1
362 1 25 PRO QD 1 25 PRO QG 2.000 . 5.500 1.954 1.939 1.970 . 0 0 "[ . 1 ]" 1
363 1 25 PRO QG 1 26 ARG H 2.000 . 7.000 2.044 1.842 2.323 . 0 0 "[ . 1 ]" 1
364 1 26 ARG H 1 26 ARG HA 2.000 . 2.500 2.817 2.692 2.911 0.411 5 0 "[ . 1 ]" 1
365 1 26 ARG H 1 26 ARG QB 2.000 . 3.500 2.174 1.893 2.463 . 0 0 "[ . 1 ]" 1
366 1 26 ARG H 1 26 ARG QD 2.000 . 7.000 3.573 1.818 4.518 . 0 0 "[ . 1 ]" 1
367 1 26 ARG H 1 26 ARG QG 2.000 . 3.500 2.828 1.851 3.466 . 0 0 "[ . 1 ]" 1
368 1 26 ARG H 1 27 ARG H 2.000 . 6.000 2.880 2.088 3.983 . 0 0 "[ . 1 ]" 1
369 1 26 ARG HA 1 26 ARG QD 2.000 . 4.500 3.058 1.715 3.872 0.085 6 0 "[ . 1 ]" 1
370 1 26 ARG HA 1 26 ARG HE 2.000 . 5.000 4.626 4.021 5.098 0.098 2 0 "[ . 1 ]" 1
371 1 26 ARG QB 1 26 ARG HE 2.000 . 6.000 3.079 1.867 4.395 . 0 0 "[ . 1 ]" 1
372 1 26 ARG QB 1 27 ARG H 2.000 . 4.500 3.406 1.983 4.090 . 0 0 "[ . 1 ]" 1
373 1 26 ARG QD 1 27 ARG H 2.000 . 7.000 2.971 1.727 4.241 0.073 2 0 "[ . 1 ]" 1
374 1 26 ARG QD 1 27 ARG QG 2.000 . 4.500 3.622 3.379 3.940 . 0 0 "[ . 1 ]" 1
375 1 26 ARG HE 1 26 ARG QG 2.000 . 6.000 2.648 2.056 3.272 . 0 0 "[ . 1 ]" 1
376 1 27 ARG H 1 27 ARG HA 2.000 . 2.500 2.553 2.346 2.862 0.362 11 0 "[ . 1 ]" 1
377 1 27 ARG H 1 27 ARG QB 2.000 . 4.500 2.795 1.992 3.359 . 0 0 "[ . 1 ]" 1
378 1 27 ARG H 1 27 ARG QD 2.000 . 7.000 4.369 3.153 5.226 . 0 0 "[ . 1 ]" 1
379 1 27 ARG H 1 27 ARG QG 2.000 . 4.500 2.749 1.760 3.629 0.040 4 0 "[ . 1 ]" 1
380 1 27 ARG H 1 28 GLN H 2.000 . 6.000 4.463 3.498 4.646 . 0 0 "[ . 1 ]" 1
381 1 27 ARG HA 1 27 ARG QB 2.000 . 3.500 2.401 2.191 2.539 . 0 0 "[ . 1 ]" 1
382 1 27 ARG HA 1 27 ARG QD 2.000 . 6.000 3.491 1.833 4.279 . 0 0 "[ . 1 ]" 1
383 1 27 ARG HA 1 27 ARG HE 2.000 . 6.000 4.228 3.239 5.466 . 0 0 "[ . 1 ]" 1
384 1 27 ARG HA 1 27 ARG QG 2.000 . 3.500 2.445 1.944 3.279 . 0 0 "[ . 1 ]" 1
385 1 27 ARG HA 1 28 GLN H 2.000 . 2.500 2.498 2.254 2.653 0.153 9 0 "[ . 1 ]" 1
386 1 27 ARG HA 1 31 TRP HE1 2.000 . 6.000 5.559 3.962 6.152 0.152 3 0 "[ . 1 ]" 1
387 1 27 ARG QB 1 27 ARG QD 2.000 . 5.500 2.248 1.959 2.454 . 0 0 "[ . 1 ]" 1
388 1 27 ARG QB 1 27 ARG HE 2.000 . 6.000 2.613 1.875 3.716 . 0 0 "[ . 1 ]" 1
389 1 27 ARG QB 1 28 GLN H 2.000 . 4.500 2.601 1.858 3.975 . 0 0 "[ . 1 ]" 1
390 1 27 ARG QB 1 31 TRP HE1 2.000 . 7.000 4.800 3.642 6.244 . 0 0 "[ . 1 ]" 1
391 1 27 ARG QD 1 27 ARG QG 2.000 . 5.500 2.052 2.022 2.068 . 0 0 "[ . 1 ]" 1
392 1 27 ARG QD 1 28 GLN QE 2.000 . 7.000 4.872 3.320 5.737 . 0 0 "[ . 1 ]" 1
393 1 27 ARG HE 1 27 ARG QG 2.000 . 6.000 2.393 1.939 3.040 . 0 0 "[ . 1 ]" 1
394 1 27 ARG QG 1 28 GLN H 2.000 . 4.500 3.635 2.697 4.173 . 0 0 "[ . 1 ]" 1
395 1 27 ARG QG 1 28 GLN QE 2.000 . 8.000 4.445 3.416 5.453 . 0 0 "[ . 1 ]" 1
396 1 27 ARG QG 1 29 GLY H 2.000 . 7.000 5.751 4.849 6.326 . 0 0 "[ . 1 ]" 1
397 1 27 ARG QG 1 31 TRP HE1 2.000 . 7.000 5.258 2.668 6.355 . 0 0 "[ . 1 ]" 1
398 1 28 GLN H 1 28 GLN QB 2.000 . 4.500 2.480 2.049 3.094 . 0 0 "[ . 1 ]" 1
399 1 28 GLN H 1 28 GLN QG 2.000 . 4.500 3.122 1.824 3.955 . 0 0 "[ . 1 ]" 1
400 1 28 GLN H 1 29 GLY H 2.000 . 6.000 3.950 2.753 4.408 . 0 0 "[ . 1 ]" 1
401 1 28 GLN HA 1 29 GLY H 2.000 . 2.500 2.325 2.187 2.740 0.240 5 0 "[ . 1 ]" 1
402 1 28 GLN HA 1 29 GLY QA 2.000 . 6.000 4.026 3.980 4.134 . 0 0 "[ . 1 ]" 1
403 1 28 GLN QB 1 29 GLY H 2.000 . 6.000 3.691 3.339 3.896 . 0 0 "[ . 1 ]" 1
404 1 28 GLN QB 1 33 CYS H 2.000 . 7.000 6.086 5.670 6.386 . 0 0 "[ . 1 ]" 1
405 1 28 GLN QE 1 28 GLN QG 2.000 . 8.000 2.533 2.181 2.803 . 0 0 "[ . 1 ]" 1
406 1 28 GLN QG 1 29 GLY H 2.000 . 7.000 4.351 3.674 4.858 . 0 0 "[ . 1 ]" 1
407 1 28 GLN QG 1 29 GLY QA 2.000 . 7.000 5.169 4.010 5.741 . 0 0 "[ . 1 ]" 1
408 1 29 GLY H 1 36 THR MG 2.000 . 6.300 4.338 3.174 5.267 . 0 0 "[ . 1 ]" 1
409 1 29 GLY H 1 39 VAL QG 2.000 . 8.400 4.996 3.831 6.169 . 0 0 "[ . 1 ]" 1
410 1 29 GLY QA 1 30 CYS H 2.000 . 4.500 2.334 2.157 2.609 . 0 0 "[ . 1 ]" 1
411 1 29 GLY QA 1 30 CYS HA 2.000 . 6.000 4.024 4.002 4.056 . 0 0 "[ . 1 ]" 1
412 1 29 GLY QA 1 30 CYS QB 2.000 . 7.000 3.915 3.724 4.144 . 0 0 "[ . 1 ]" 1
413 1 29 GLY QA 1 36 THR HA 2.000 . 6.000 2.948 1.941 4.989 . 0 0 "[ . 1 ]" 1
414 1 29 GLY QA 1 36 THR HB 2.000 . 7.000 4.781 3.862 5.971 . 0 0 "[ . 1 ]" 1
415 1 29 GLY QA 1 36 THR MG 2.000 . 6.300 4.219 3.706 4.513 . 0 0 "[ . 1 ]" 1
416 1 30 CYS H 1 30 CYS QB 2.000 . 4.500 2.127 1.963 2.462 . 0 0 "[ . 1 ]" 1
417 1 30 CYS H 1 33 CYS H 2.000 . 6.000 5.721 4.985 6.012 0.012 9 0 "[ . 1 ]" 1
418 1 30 CYS H 1 34 GLY H 2.000 . 5.000 4.585 3.688 5.041 0.041 10 0 "[ . 1 ]" 1
419 1 30 CYS H 1 34 GLY QA 2.000 . 7.000 4.699 1.809 6.034 . 0 0 "[ . 1 ]" 1
420 1 30 CYS H 1 36 THR MG 2.000 . 6.300 4.557 3.391 5.219 . 0 0 "[ . 1 ]" 1
421 1 30 CYS H 1 38 HIS H 2.000 . 6.000 5.097 4.803 6.036 0.036 7 0 "[ . 1 ]" 1
422 1 30 CYS H 1 38 HIS HD2 2.000 . 6.000 5.332 4.653 5.812 . 0 0 "[ . 1 ]" 1
423 1 30 CYS H 1 40 MET H 2.000 . 6.000 5.168 4.760 5.729 . 0 0 "[ . 1 ]" 1
424 1 30 CYS HA 1 30 CYS QB 2.000 . 4.500 2.449 2.200 2.545 . 0 0 "[ . 1 ]" 1
425 1 30 CYS HA 1 31 TRP H 2.000 . 2.500 2.308 2.215 2.553 0.053 4 0 "[ . 1 ]" 1
426 1 30 CYS HA 1 31 TRP QB 2.000 . 6.000 4.166 3.763 4.849 . 0 0 "[ . 1 ]" 1
427 1 30 CYS HA 1 32 LYS H 2.000 . 5.000 4.115 3.451 4.828 . 0 0 "[ . 1 ]" 1
428 1 30 CYS HA 1 33 CYS H 2.000 . 6.000 4.695 4.144 5.195 . 0 0 "[ . 1 ]" 1
429 1 30 CYS HA 1 35 LYS H 2.000 . 6.000 5.270 4.691 6.023 0.023 6 0 "[ . 1 ]" 1
430 1 30 CYS HA 1 40 MET H 2.000 . 5.000 2.663 2.102 3.630 . 0 0 "[ . 1 ]" 1
431 1 30 CYS HA 1 40 MET HA 2.000 . 5.000 4.417 3.916 5.004 0.004 1 0 "[ . 1 ]" 1
432 1 30 CYS HA 1 40 MET QB 2.000 . 7.000 3.913 3.260 4.582 . 0 0 "[ . 1 ]" 1
433 1 30 CYS QB 1 31 TRP H 2.000 . 6.000 3.386 2.517 3.860 . 0 0 "[ . 1 ]" 1
434 1 30 CYS QB 1 31 TRP HD1 2.000 . 6.000 5.407 5.237 5.549 . 0 0 "[ . 1 ]" 1
435 1 30 CYS QB 1 33 CYS H 2.000 . 6.000 3.171 2.566 3.818 . 0 0 "[ . 1 ]" 1
436 1 30 CYS QB 1 34 GLY H 2.000 . 6.000 2.494 1.813 4.338 . 0 0 "[ . 1 ]" 1
437 1 30 CYS QB 1 35 LYS H 2.000 . 6.000 3.061 1.962 4.417 . 0 0 "[ . 1 ]" 1
438 1 30 CYS QB 1 38 HIS H 2.000 . 7.000 4.925 4.221 5.502 . 0 0 "[ . 1 ]" 1
439 1 30 CYS QB 1 38 HIS HD2 2.000 . 6.000 3.613 2.380 4.473 . 0 0 "[ . 1 ]" 1
440 1 31 TRP H 1 31 TRP QB 2.000 . 4.500 2.405 1.953 2.965 . 0 0 "[ . 1 ]" 1
441 1 31 TRP H 1 31 TRP HD1 2.000 . 5.000 3.690 2.972 4.251 . 0 0 "[ . 1 ]" 1
442 1 31 TRP H 1 31 TRP HE3 2.000 . 6.000 5.082 3.724 5.677 . 0 0 "[ . 1 ]" 1
443 1 31 TRP H 1 32 LYS H 2.000 . 5.000 2.262 1.850 2.840 . 0 0 "[ . 1 ]" 1
444 1 31 TRP H 1 39 VAL HA 2.000 . 6.000 4.375 3.821 5.165 . 0 0 "[ . 1 ]" 1
445 1 31 TRP H 1 40 MET H 2.000 . 6.000 3.578 2.726 4.397 . 0 0 "[ . 1 ]" 1
446 1 31 TRP H 1 40 MET HA 2.000 . 6.000 4.676 3.410 5.712 . 0 0 "[ . 1 ]" 1
447 1 31 TRP H 1 40 MET QB 2.000 . 6.000 3.531 2.385 4.657 . 0 0 "[ . 1 ]" 1
448 1 31 TRP H 1 40 MET QG 2.000 . 7.000 4.472 2.505 5.736 . 0 0 "[ . 1 ]" 1
449 1 31 TRP HA 1 31 TRP QB 2.000 . 3.500 2.445 2.183 2.546 . 0 0 "[ . 1 ]" 1
450 1 31 TRP HA 1 31 TRP HD1 2.000 . 5.000 2.817 2.400 3.328 . 0 0 "[ . 1 ]" 1
451 1 31 TRP HA 1 31 TRP HE1 2.000 . 6.000 4.721 4.307 5.617 . 0 0 "[ . 1 ]" 1
452 1 31 TRP HA 1 31 TRP HE3 2.000 . 5.000 4.541 3.882 5.128 0.128 10 0 "[ . 1 ]" 1
453 1 31 TRP HA 1 32 LYS H 2.000 . 6.000 3.465 3.112 3.596 . 0 0 "[ . 1 ]" 1
454 1 31 TRP HA 1 33 CYS H 2.000 . 6.000 3.824 3.451 4.462 . 0 0 "[ . 1 ]" 1
455 1 31 TRP HA 1 34 GLY H 2.000 . 6.000 4.159 3.420 5.372 . 0 0 "[ . 1 ]" 1
456 1 31 TRP QB 1 32 LYS H 2.000 . 7.000 2.827 2.106 3.611 . 0 0 "[ . 1 ]" 1
457 1 31 TRP QB 1 39 VAL QG 2.000 . 9.400 5.445 4.683 6.169 . 0 0 "[ . 1 ]" 1
458 1 31 TRP QB 1 40 MET H 2.000 . 7.000 4.982 3.501 6.022 . 0 0 "[ . 1 ]" 1
459 1 31 TRP QB 1 40 MET QB 2.000 . 7.000 4.202 1.974 5.435 . 0 0 "[ . 1 ]" 1
460 1 31 TRP HE3 1 32 LYS HA 2.000 . 5.000 4.967 4.567 5.108 0.108 2 0 "[ . 1 ]" 1
461 1 31 TRP HH2 1 31 TRP HZ3 2.000 . 2.500 2.480 2.478 2.482 . 0 0 "[ . 1 ]" 1
462 1 32 LYS H 1 32 LYS QB 2.000 . 6.000 2.310 1.928 2.661 . 0 0 "[ . 1 ]" 1
463 1 32 LYS H 1 32 LYS QD 2.000 . 6.000 3.740 2.147 4.459 . 0 0 "[ . 1 ]" 1
464 1 32 LYS H 1 32 LYS QG 2.000 . 7.000 3.342 1.893 4.190 . 0 0 "[ . 1 ]" 1
465 1 32 LYS H 1 33 CYS H 2.000 . 5.000 2.549 1.852 3.201 . 0 0 "[ . 1 ]" 1
466 1 32 LYS H 1 34 GLY H 2.000 . 6.000 4.320 3.299 5.174 . 0 0 "[ . 1 ]" 1
467 1 32 LYS H 1 40 MET QB 2.000 . 6.000 4.058 3.069 5.403 . 0 0 "[ . 1 ]" 1
468 1 32 LYS H 1 40 MET QG 2.000 . 7.000 4.847 2.812 5.849 . 0 0 "[ . 1 ]" 1
469 1 32 LYS HA 1 32 LYS QB 2.000 . 4.500 2.362 2.196 2.534 . 0 0 "[ . 1 ]" 1
470 1 32 LYS HA 1 32 LYS QD 2.000 . 4.500 3.263 1.874 4.103 . 0 0 "[ . 1 ]" 1
471 1 32 LYS HA 1 32 LYS QG 2.000 . 4.500 2.632 2.101 3.318 . 0 0 "[ . 1 ]" 1
472 1 32 LYS HA 1 33 CYS H 2.000 . 6.000 3.308 2.955 3.549 . 0 0 "[ . 1 ]" 1
473 1 32 LYS HA 1 34 GLY H 2.000 . 6.000 5.295 4.923 5.569 . 0 0 "[ . 1 ]" 1
474 1 32 LYS QB 1 32 LYS QD 2.000 . 4.500 2.127 1.915 2.409 . 0 0 "[ . 1 ]" 1
475 1 32 LYS QB 1 32 LYS QG 2.000 . 5.500 2.056 1.996 2.104 . 0 0 "[ . 1 ]" 1
476 1 32 LYS QB 1 33 CYS H 2.000 . 6.000 3.356 2.577 4.070 . 0 0 "[ . 1 ]" 1
477 1 32 LYS QB 1 34 GLY H 2.000 . 7.000 5.256 4.540 6.150 . 0 0 "[ . 1 ]" 1
478 1 32 LYS QD 1 32 LYS QE 2.000 . 4.500 2.087 2.059 2.113 . 0 0 "[ . 1 ]" 1
479 1 32 LYS QD 1 32 LYS QG 2.000 . 4.500 2.077 2.043 2.106 . 0 0 "[ . 1 ]" 1
480 1 32 LYS QD 1 33 CYS H 2.000 . 6.000 4.645 3.907 5.447 . 0 0 "[ . 1 ]" 1
481 1 32 LYS QD 1 33 CYS QB 2.000 . 7.000 4.941 4.243 5.508 . 0 0 "[ . 1 ]" 1
482 1 32 LYS QD 1 40 MET QG 2.000 . 7.000 4.844 3.505 5.614 . 0 0 "[ . 1 ]" 1
483 1 32 LYS QE 1 32 LYS QG 2.000 . 7.000 2.090 1.985 2.296 . 0 0 "[ . 1 ]" 1
484 1 32 LYS QE 1 33 CYS H 2.000 . 7.000 5.986 5.273 6.327 . 0 0 "[ . 1 ]" 1
485 1 32 LYS QG 1 33 CYS H 2.000 . 7.000 4.069 2.858 4.781 . 0 0 "[ . 1 ]" 1
486 1 32 LYS QG 1 33 CYS QB 2.000 . 7.000 4.422 3.383 5.569 . 0 0 "[ . 1 ]" 1
487 1 33 CYS H 1 33 CYS QB 2.000 . 6.000 2.785 2.282 3.257 . 0 0 "[ . 1 ]" 1
488 1 33 CYS H 1 34 GLY H 2.000 . 3.500 2.250 1.892 3.054 . 0 0 "[ . 1 ]" 1
489 1 33 CYS H 1 34 GLY QA 2.000 . 7.000 3.883 3.714 4.058 . 0 0 "[ . 1 ]" 1
490 1 33 CYS H 1 35 LYS H 2.000 . 6.000 4.939 4.083 6.029 0.029 6 0 "[ . 1 ]" 1
491 1 33 CYS HA 1 33 CYS QB 2.000 . 6.000 2.303 2.189 2.448 . 0 0 "[ . 1 ]" 1
492 1 33 CYS HA 1 34 GLY H 2.000 . 6.000 3.488 2.542 3.597 . 0 0 "[ . 1 ]" 1
493 1 33 CYS QB 1 34 GLY H 2.000 . 7.000 2.664 1.913 4.014 . 0 0 "[ . 1 ]" 1
494 1 33 CYS QB 1 35 LYS H 2.000 . 7.000 4.317 2.677 6.231 . 0 0 "[ . 1 ]" 1
495 1 33 CYS QB 1 45 GLU QG 2.000 . 7.000 5.031 3.050 5.721 . 0 0 "[ . 1 ]" 1
496 1 34 GLY H 1 35 LYS H 2.000 . 5.000 2.844 1.902 4.030 . 0 0 "[ . 1 ]" 1
497 1 34 GLY QA 1 35 LYS H 2.000 . 6.000 2.464 2.134 2.836 . 0 0 "[ . 1 ]" 1
498 1 35 LYS H 1 35 LYS QB 2.000 . 6.000 2.543 2.088 3.120 . 0 0 "[ . 1 ]" 1
499 1 35 LYS H 1 35 LYS QD 2.000 . 6.000 4.700 4.025 5.232 . 0 0 "[ . 1 ]" 1
500 1 35 LYS H 1 35 LYS QE 2.000 . 7.000 5.195 4.538 5.839 . 0 0 "[ . 1 ]" 1
501 1 35 LYS H 1 35 LYS QG 2.000 . 6.000 3.360 2.564 4.067 . 0 0 "[ . 1 ]" 1
502 1 35 LYS HA 1 35 LYS QB 2.000 . 4.500 2.489 2.375 2.550 . 0 0 "[ . 1 ]" 1
503 1 35 LYS HA 1 35 LYS QG 2.000 . 6.000 2.211 1.900 2.676 . 0 0 "[ . 1 ]" 1
504 1 35 LYS HA 1 35 LYS QZ 2.000 . 5.300 3.051 1.900 4.327 . 0 0 "[ . 1 ]" 1
505 1 35 LYS HA 1 36 THR H 2.000 . 3.500 3.045 2.215 3.543 0.043 1 0 "[ . 1 ]" 1
506 1 35 LYS HA 1 36 THR HA 2.000 . 5.000 4.683 4.459 5.177 0.177 9 0 "[ . 1 ]" 1
507 1 35 LYS HA 1 36 THR MG 2.000 . 5.300 3.578 3.010 4.311 . 0 0 "[ . 1 ]" 1
508 1 35 LYS QB 1 35 LYS QD 2.000 . 4.500 2.142 1.880 2.721 . 0 0 "[ . 1 ]" 1
509 1 35 LYS QB 1 35 LYS QE 2.000 . 7.000 3.069 1.886 3.751 . 0 0 "[ . 1 ]" 1
510 1 35 LYS QB 1 35 LYS QG 2.000 . 4.500 2.058 2.024 2.101 . 0 0 "[ . 1 ]" 1
511 1 35 LYS QB 1 35 LYS QZ 2.000 . 4.800 3.086 2.380 3.552 . 0 0 "[ . 1 ]" 1
512 1 35 LYS QB 1 36 THR H 2.000 . 4.500 2.405 1.831 3.723 . 0 0 "[ . 1 ]" 1
513 1 35 LYS QB 1 36 THR MG 2.000 . 6.300 3.335 2.192 4.248 . 0 0 "[ . 1 ]" 1
514 1 35 LYS QB 1 37 GLY H 2.000 . 7.000 4.832 3.203 6.211 . 0 0 "[ . 1 ]" 1
515 1 35 LYS QD 1 35 LYS QG 2.000 . 4.500 2.058 2.024 2.093 . 0 0 "[ . 1 ]" 1
516 1 35 LYS QD 1 36 THR H 2.000 . 7.000 3.755 2.106 5.844 . 0 0 "[ . 1 ]" 1
517 1 35 LYS QE 1 35 LYS QG 2.000 . 5.500 2.241 1.925 2.829 . 0 0 "[ . 1 ]" 1
518 1 35 LYS QE 1 35 LYS QZ 2.000 . 4.800 1.868 1.851 1.881 . 0 0 "[ . 1 ]" 1
519 1 35 LYS QG 1 35 LYS QZ 2.000 . 6.300 2.385 1.798 3.234 0.002 8 0 "[ . 1 ]" 1
520 1 35 LYS QG 1 36 THR H 2.000 . 7.000 3.996 3.642 4.670 . 0 0 "[ . 1 ]" 1
521 1 35 LYS QG 1 36 THR MG 2.000 . 7.300 4.490 3.882 4.826 . 0 0 "[ . 1 ]" 1
522 1 36 THR H 1 36 THR MG 2.000 . 3.800 2.276 1.858 2.878 . 0 0 "[ . 1 ]" 1
523 1 36 THR H 1 37 GLY H 2.000 . 6.000 3.609 1.986 4.593 . 0 0 "[ . 1 ]" 1
524 1 36 THR HA 1 36 THR MG 2.000 . 3.800 2.888 2.233 3.187 . 0 0 "[ . 1 ]" 1
525 1 36 THR HA 1 37 GLY H 2.000 . 3.500 3.071 2.379 3.568 0.068 7 0 "[ . 1 ]" 1
526 1 36 THR HA 1 38 HIS H 2.000 . 6.000 4.950 3.947 5.791 . 0 0 "[ . 1 ]" 1
527 1 36 THR HB 1 36 THR MG 2.000 . 2.800 2.121 2.106 2.146 . 0 0 "[ . 1 ]" 1
528 1 36 THR HB 1 37 GLY H 2.000 . 5.000 3.365 2.672 3.911 . 0 0 "[ . 1 ]" 1
529 1 36 THR MG 1 37 GLY H 2.000 . 6.300 2.863 1.801 4.052 . 0 0 "[ . 1 ]" 1
530 1 36 THR MG 1 38 HIS H 2.000 . 6.300 4.153 2.141 5.283 . 0 0 "[ . 1 ]" 1
531 1 37 GLY H 1 38 HIS H 2.000 . 5.000 3.263 2.106 4.317 . 0 0 "[ . 1 ]" 1
532 1 37 GLY H 1 38 HIS HA 2.000 . 6.000 5.546 4.800 6.012 0.012 10 0 "[ . 1 ]" 1
533 1 37 GLY QA 1 38 HIS H 2.000 . 6.000 2.516 2.202 2.758 . 0 0 "[ . 1 ]" 1
534 1 38 HIS H 1 38 HIS QB 2.000 . 6.000 2.003 1.924 2.271 . 0 0 "[ . 1 ]" 1
535 1 38 HIS H 1 39 VAL H 2.000 . 6.000 4.589 4.131 4.703 . 0 0 "[ . 1 ]" 1
536 1 38 HIS H 1 39 VAL QG 2.000 . 8.400 4.542 3.813 5.467 . 0 0 "[ . 1 ]" 1
537 1 38 HIS HA 1 38 HIS QB 2.000 . 4.500 2.188 2.168 2.260 . 0 0 "[ . 1 ]" 1
538 1 38 HIS HA 1 38 HIS HD2 2.000 . 3.500 3.499 2.825 3.893 0.393 7 0 "[ . 1 ]" 1
539 1 38 HIS HA 1 39 VAL H 2.000 . 5.000 2.304 2.197 2.425 . 0 0 "[ . 1 ]" 1
540 1 38 HIS HA 1 39 VAL QG 2.000 . 8.400 3.176 2.941 3.736 . 0 0 "[ . 1 ]" 1
541 1 38 HIS QB 1 39 VAL H 2.000 . 4.500 3.441 2.983 4.059 . 0 0 "[ . 1 ]" 1
542 1 38 HIS QB 1 39 VAL QG 2.000 . 9.400 4.228 3.877 4.592 . 0 0 "[ . 1 ]" 1
543 1 38 HIS QB 1 42 LYS HB3 2.000 . 6.000 4.040 2.743 5.189 . 0 0 "[ . 1 ]" 1
544 1 38 HIS QB 1 43 CYS H 2.000 . 7.000 5.595 4.918 6.178 . 0 0 "[ . 1 ]" 1
545 1 38 HIS HD2 1 39 VAL H 2.000 . 6.000 2.635 1.905 3.545 . 0 0 "[ . 1 ]" 1
546 1 38 HIS HD2 1 39 VAL HA 2.000 . 5.000 3.438 2.992 4.127 . 0 0 "[ . 1 ]" 1
547 1 38 HIS HD2 1 39 VAL QG 2.000 . 7.400 3.660 3.401 4.041 . 0 0 "[ . 1 ]" 1
548 1 38 HIS HD2 1 40 MET H 2.000 . 6.000 4.585 4.139 4.894 . 0 0 "[ . 1 ]" 1
549 1 38 HIS HD2 1 40 MET HA 2.000 . 5.000 4.336 3.996 4.763 . 0 0 "[ . 1 ]" 1
550 1 38 HIS HD2 1 42 LYS H 2.000 . 6.000 3.559 2.816 4.195 . 0 0 "[ . 1 ]" 1
551 1 38 HIS HD2 1 42 LYS HB2 2.000 . 5.000 4.460 2.972 5.111 0.111 11 0 "[ . 1 ]" 1
552 1 38 HIS HD2 1 42 LYS HB3 2.000 . 5.000 4.064 3.002 4.997 . 0 0 "[ . 1 ]" 1
553 1 38 HIS HD2 1 43 CYS H 2.000 . 6.000 3.513 2.981 3.990 . 0 0 "[ . 1 ]" 1
554 1 38 HIS HD2 1 43 CYS HA 2.000 . 3.500 2.750 2.084 3.508 0.008 6 0 "[ . 1 ]" 1
555 1 38 HIS HD2 1 43 CYS QB 2.000 . 4.500 3.009 1.829 4.079 . 0 0 "[ . 1 ]" 1
556 1 38 HIS HD2 1 44 PRO QD 2.000 . 6.000 4.223 3.456 5.073 . 0 0 "[ . 1 ]" 1
557 1 39 VAL H 1 39 VAL QG 2.000 . 5.900 1.995 1.787 2.256 0.013 3 0 "[ . 1 ]" 1
558 1 39 VAL H 1 40 MET H 2.000 . 6.000 4.499 4.376 4.616 . 0 0 "[ . 1 ]" 1
559 1 39 VAL H 1 42 LYS HB2 2.000 . 6.000 3.529 2.673 5.109 . 0 0 "[ . 1 ]" 1
560 1 39 VAL H 1 42 LYS HB3 2.000 . 6.000 3.744 2.845 4.828 . 0 0 "[ . 1 ]" 1
561 1 39 VAL H 1 42 LYS QG 2.000 . 7.000 4.611 2.894 5.658 . 0 0 "[ . 1 ]" 1
562 1 39 VAL HA 1 39 VAL QG 2.000 . 5.900 2.281 2.052 2.443 . 0 0 "[ . 1 ]" 1
563 1 39 VAL HA 1 40 MET H 2.000 . 3.500 2.514 2.360 2.771 . 0 0 "[ . 1 ]" 1
564 1 39 VAL HA 1 41 ALA H 2.000 . 6.000 4.161 4.005 4.548 . 0 0 "[ . 1 ]" 1
565 1 39 VAL HB 1 39 VAL QG 2.000 . 4.900 1.900 1.880 1.912 . 0 0 "[ . 1 ]" 1
566 1 39 VAL HB 1 40 MET H 2.000 . 3.500 2.901 2.058 3.759 0.259 10 0 "[ . 1 ]" 1
567 1 39 VAL HB 1 41 ALA H 2.000 . 5.000 3.305 2.491 4.306 . 0 0 "[ . 1 ]" 1
568 1 39 VAL HB 1 41 ALA MB 2.000 . 5.300 3.677 2.643 4.295 . 0 0 "[ . 1 ]" 1
569 1 39 VAL QG 1 40 MET H 2.000 . 7.400 2.619 1.726 3.289 0.074 10 0 "[ . 1 ]" 1
570 1 39 VAL QG 1 40 MET HA 2.000 . 8.400 4.088 3.647 4.401 . 0 0 "[ . 1 ]" 1
571 1 39 VAL QG 1 40 MET QB 2.000 . 8.400 3.611 2.457 4.355 . 0 0 "[ . 1 ]" 1
572 1 39 VAL QG 1 40 MET QG 2.000 . 6.900 3.762 2.624 4.618 . 0 0 "[ . 1 ]" 1
573 1 39 VAL QG 1 41 ALA H 2.000 . 5.900 1.988 1.710 2.738 0.090 4 0 "[ . 1 ]" 1
574 1 39 VAL QG 1 41 ALA HA 2.000 . 8.400 3.819 3.433 4.855 . 0 0 "[ . 1 ]" 1
575 1 39 VAL QG 1 41 ALA MB 2.000 . 5.200 1.875 1.602 2.866 0.198 10 0 "[ . 1 ]" 1
576 1 39 VAL QG 1 42 LYS H 2.000 . 7.400 2.553 1.840 3.381 . 0 0 "[ . 1 ]" 1
577 1 39 VAL QG 1 42 LYS HA 2.000 . 7.400 4.783 4.296 5.308 . 0 0 "[ . 1 ]" 1
578 1 39 VAL QG 1 42 LYS HB2 2.000 . 7.400 3.224 2.452 4.893 . 0 0 "[ . 1 ]" 1
579 1 39 VAL QG 1 42 LYS HB3 2.000 . 7.400 3.902 3.050 4.436 . 0 0 "[ . 1 ]" 1
580 1 39 VAL QG 1 42 LYS QG 2.000 . 6.900 4.037 3.555 4.278 . 0 0 "[ . 1 ]" 1
581 1 39 VAL QG 1 43 CYS H 2.000 . 8.400 4.285 3.770 5.027 . 0 0 "[ . 1 ]" 1
582 1 40 MET H 1 40 MET QB 2.000 . 4.500 2.144 1.925 2.328 . 0 0 "[ . 1 ]" 1
583 1 40 MET H 1 40 MET QG 2.000 . 6.000 3.005 2.126 3.953 . 0 0 "[ . 1 ]" 1
584 1 40 MET H 1 41 ALA H 2.000 . 5.000 2.798 2.597 2.921 . 0 0 "[ . 1 ]" 1
585 1 40 MET H 1 41 ALA MB 2.000 . 6.300 4.295 4.108 4.375 . 0 0 "[ . 1 ]" 1
586 1 40 MET HA 1 40 MET QB 2.000 . 4.500 2.314 2.175 2.545 . 0 0 "[ . 1 ]" 1
587 1 40 MET HA 1 40 MET QG 2.000 . 6.000 2.767 1.951 3.386 . 0 0 "[ . 1 ]" 1
588 1 40 MET HA 1 41 ALA H 2.000 . 6.000 3.501 3.446 3.559 . 0 0 "[ . 1 ]" 1
589 1 40 MET HA 1 42 LYS H 2.000 . 6.000 3.926 3.410 4.772 . 0 0 "[ . 1 ]" 1
590 1 40 MET HA 1 43 CYS HA 2.000 . 6.000 4.625 3.845 5.214 . 0 0 "[ . 1 ]" 1
591 1 40 MET HA 1 43 CYS QB 2.000 . 6.000 2.355 1.863 4.092 . 0 0 "[ . 1 ]" 1
592 1 40 MET QB 1 40 MET QG 2.000 . 4.500 2.068 2.038 2.102 . 0 0 "[ . 1 ]" 1
593 1 40 MET QB 1 41 ALA H 2.000 . 6.000 3.150 2.635 3.636 . 0 0 "[ . 1 ]" 1
594 1 40 MET QB 1 41 ALA HA 2.000 . 7.000 4.392 3.920 4.785 . 0 0 "[ . 1 ]" 1
595 1 40 MET QB 1 42 LYS H 2.000 . 6.000 4.800 4.361 5.408 . 0 0 "[ . 1 ]" 1
596 1 40 MET QG 1 41 ALA H 2.000 . 6.000 3.085 1.855 4.451 . 0 0 "[ . 1 ]" 1
597 1 40 MET QG 1 41 ALA HA 2.000 . 7.000 4.155 2.937 5.883 . 0 0 "[ . 1 ]" 1
598 1 40 MET QG 1 43 CYS H 2.000 . 7.000 4.845 4.434 5.562 . 0 0 "[ . 1 ]" 1
599 1 41 ALA H 1 41 ALA MB 2.000 . 2.800 2.045 1.908 2.146 . 0 0 "[ . 1 ]" 1
600 1 41 ALA H 1 42 LYS H 2.000 . 5.000 2.691 2.547 2.818 . 0 0 "[ . 1 ]" 1
601 1 41 ALA H 1 42 LYS HB3 2.000 . 6.000 5.579 4.197 6.017 0.017 1 0 "[ . 1 ]" 1
602 1 41 ALA H 1 42 LYS QG 2.000 . 7.000 5.470 5.181 5.615 . 0 0 "[ . 1 ]" 1
603 1 41 ALA H 1 43 CYS H 2.000 . 6.000 4.186 3.748 5.248 . 0 0 "[ . 1 ]" 1
604 1 41 ALA HA 1 41 ALA MB 2.000 . 2.800 2.147 2.113 2.165 . 0 0 "[ . 1 ]" 1
605 1 41 ALA HA 1 42 LYS H 2.000 . 5.000 3.479 3.392 3.534 . 0 0 "[ . 1 ]" 1
606 1 41 ALA HA 1 43 CYS H 2.000 . 5.000 4.553 4.059 5.010 0.010 9 0 "[ . 1 ]" 1
607 1 41 ALA MB 1 42 LYS H 2.000 . 5.300 2.539 2.048 3.146 . 0 0 "[ . 1 ]" 1
608 1 41 ALA MB 1 42 LYS HB2 2.000 . 3.800 3.046 2.887 3.337 . 0 0 "[ . 1 ]" 1
609 1 41 ALA MB 1 42 LYS QG 2.000 . 4.800 3.436 3.298 3.724 . 0 0 "[ . 1 ]" 1
610 1 41 ALA MB 1 43 CYS H 2.000 . 6.300 4.409 3.845 5.254 . 0 0 "[ . 1 ]" 1
611 1 42 LYS H 1 42 LYS QG 2.000 . 6.000 3.559 3.110 3.883 . 0 0 "[ . 1 ]" 1
612 1 42 LYS H 1 43 CYS H 2.000 . 3.500 2.379 1.852 2.926 . 0 0 "[ . 1 ]" 1
613 1 42 LYS H 1 43 CYS QB 2.000 . 7.000 3.777 3.390 4.516 . 0 0 "[ . 1 ]" 1
614 1 42 LYS HA 1 42 LYS QG 2.000 . 6.000 2.283 1.923 3.342 . 0 0 "[ . 1 ]" 1
615 1 42 LYS HA 1 43 CYS H 2.000 . 5.000 3.047 2.597 3.329 . 0 0 "[ . 1 ]" 1
616 1 42 LYS HB2 1 42 LYS QG 2.000 . 4.500 2.219 2.160 2.437 . 0 0 "[ . 1 ]" 1
617 1 42 LYS HB2 1 43 CYS H 2.000 . 6.000 4.176 3.674 4.612 . 0 0 "[ . 1 ]" 1
618 1 42 LYS HB3 1 42 LYS QD 2.000 . 4.500 2.398 1.937 3.311 . 0 0 "[ . 1 ]" 1
619 1 42 LYS HB3 1 42 LYS QG 2.000 . 3.500 2.442 2.143 2.547 . 0 0 "[ . 1 ]" 1
620 1 42 LYS HB3 1 43 CYS H 2.000 . 5.000 4.061 3.643 4.296 . 0 0 "[ . 1 ]" 1
621 1 42 LYS HB3 1 43 CYS QB 2.000 . 6.000 5.240 4.841 5.722 . 0 0 "[ . 1 ]" 1
622 1 42 LYS QG 1 43 CYS H 2.000 . 7.000 4.436 3.554 4.757 . 0 0 "[ . 1 ]" 1
623 1 43 CYS H 1 43 CYS QB 2.000 . 4.500 2.131 1.842 2.402 . 0 0 "[ . 1 ]" 1
624 1 43 CYS H 1 44 PRO QD 2.000 . 7.000 3.765 1.754 4.351 0.046 7 0 "[ . 1 ]" 1
625 1 43 CYS H 1 44 PRO QG 2.000 . 7.000 5.578 3.621 6.144 . 0 0 "[ . 1 ]" 1
626 1 43 CYS H 1 45 GLU H 2.000 . 6.000 5.215 4.269 5.976 . 0 0 "[ . 1 ]" 1
627 1 43 CYS H 1 45 GLU QG 2.000 . 7.000 5.406 3.005 6.442 . 0 0 "[ . 1 ]" 1
628 1 43 CYS HA 1 43 CYS QB 2.000 . 4.500 2.420 2.172 2.549 . 0 0 "[ . 1 ]" 1
629 1 43 CYS HA 1 44 PRO QD 2.000 . 4.500 2.419 1.887 3.479 . 0 0 "[ . 1 ]" 1
630 1 43 CYS HA 1 44 PRO QG 2.000 . 6.000 4.293 3.831 5.266 . 0 0 "[ . 1 ]" 1
631 1 43 CYS HA 1 45 GLU H 2.000 . 6.000 4.273 3.436 5.938 . 0 0 "[ . 1 ]" 1
632 1 43 CYS QB 1 44 PRO QD 2.000 . 8.000 2.852 1.490 3.684 0.310 8 0 "[ . 1 ]" 1
633 1 43 CYS QB 1 45 GLU H 2.000 . 7.000 3.852 2.079 6.225 . 0 0 "[ . 1 ]" 1
634 1 44 PRO HA 1 44 PRO QD 2.000 . 7.000 3.448 3.305 3.510 . 0 0 "[ . 1 ]" 1
635 1 44 PRO HA 1 45 GLU H 2.000 . 5.000 3.107 2.307 3.538 . 0 0 "[ . 1 ]" 1
636 1 44 PRO QB 1 44 PRO QD 2.000 . 7.000 2.876 2.700 2.960 . 0 0 "[ . 1 ]" 1
637 1 44 PRO QB 1 44 PRO QG 2.000 . 4.500 1.949 1.941 1.966 . 0 0 "[ . 1 ]" 1
638 1 44 PRO QB 1 45 GLU H 2.000 . 6.000 3.497 1.967 3.959 . 0 0 "[ . 1 ]" 1
639 1 44 PRO QD 1 44 PRO QG 2.000 . 5.500 1.946 1.936 1.961 . 0 0 "[ . 1 ]" 1
640 1 44 PRO QD 1 45 GLU H 2.000 . 7.000 3.161 2.267 4.680 . 0 0 "[ . 1 ]" 1
641 1 44 PRO QG 1 45 GLU H 2.000 . 6.000 3.447 1.842 4.783 . 0 0 "[ . 1 ]" 1
642 1 45 GLU H 1 45 GLU QB 2.000 . 4.500 2.810 2.044 3.353 . 0 0 "[ . 1 ]" 1
643 1 45 GLU H 1 45 GLU QG 2.000 . 6.000 2.672 2.148 3.603 . 0 0 "[ . 1 ]" 1
644 1 45 GLU H 1 46 ARG H 2.000 . 5.000 3.368 2.501 4.315 . 0 0 "[ . 1 ]" 1
645 1 45 GLU H 1 46 ARG QG 2.000 . 7.000 5.114 4.013 6.271 . 0 0 "[ . 1 ]" 1
646 1 45 GLU H 1 47 GLN H 2.000 . 6.000 5.476 4.328 6.006 0.006 1 0 "[ . 1 ]" 1
647 1 45 GLU HA 1 45 GLU QB 2.000 . 3.500 2.375 2.190 2.549 . 0 0 "[ . 1 ]" 1
648 1 45 GLU HA 1 45 GLU QG 2.000 . 6.000 2.541 1.950 3.298 . 0 0 "[ . 1 ]" 1
649 1 45 GLU HA 1 46 ARG QD 2.000 . 6.000 4.800 3.411 5.445 . 0 0 "[ . 1 ]" 1
650 1 45 GLU QB 1 45 GLU QG 2.000 . 4.500 2.082 2.044 2.115 . 0 0 "[ . 1 ]" 1
651 1 45 GLU QB 1 46 ARG H 2.000 . 6.000 3.518 1.859 4.032 . 0 0 "[ . 1 ]" 1
652 1 45 GLU QG 1 46 ARG H 2.000 . 7.000 4.309 3.820 4.743 . 0 0 "[ . 1 ]" 1
653 1 46 ARG H 1 46 ARG HA 2.000 . 2.500 2.436 2.359 2.763 0.263 3 0 "[ . 1 ]" 1
654 1 46 ARG H 1 46 ARG QB 2.000 . 4.500 3.084 2.062 3.418 . 0 0 "[ . 1 ]" 1
655 1 46 ARG H 1 46 ARG QD 2.000 . 7.000 3.879 2.311 5.162 . 0 0 "[ . 1 ]" 1
656 1 46 ARG H 1 46 ARG QG 2.000 . 4.500 2.778 2.230 4.004 . 0 0 "[ . 1 ]" 1
657 1 46 ARG H 1 47 GLN H 2.000 . 5.000 3.656 3.140 4.231 . 0 0 "[ . 1 ]" 1
658 1 46 ARG HA 1 46 ARG QB 2.000 . 3.500 2.375 2.165 2.546 . 0 0 "[ . 1 ]" 1
659 1 46 ARG HA 1 46 ARG QD 2.000 . 6.000 3.506 2.138 4.636 . 0 0 "[ . 1 ]" 1
660 1 46 ARG HA 1 46 ARG QG 2.000 . 4.500 2.536 1.919 3.213 . 0 0 "[ . 1 ]" 1
661 1 46 ARG HA 1 46 ARG QH1 2.000 . 4.500 3.927 3.249 5.582 1.082 10 1 "[ . + ]" 1
662 1 46 ARG HA 1 47 GLN H 2.000 . 2.500 2.330 2.217 2.521 0.021 6 0 "[ . 1 ]" 1
663 1 46 ARG QB 1 46 ARG HE 2.000 . 6.000 3.405 1.936 4.175 . 0 0 "[ . 1 ]" 1
664 1 46 ARG QB 1 46 ARG QG 2.000 . 4.500 2.072 2.031 2.110 . 0 0 "[ . 1 ]" 1
665 1 46 ARG QB 1 47 GLN H 2.000 . 6.000 3.772 3.412 3.920 . 0 0 "[ . 1 ]" 1
666 1 46 ARG QD 1 46 ARG QG 2.000 . 4.500 2.063 2.000 2.110 . 0 0 "[ . 1 ]" 1
667 1 46 ARG HE 1 46 ARG QG 2.000 . 7.000 2.527 1.926 3.318 . 0 0 "[ . 1 ]" 1
668 1 46 ARG QG 1 47 GLN H 2.000 . 6.000 4.325 3.568 4.732 . 0 0 "[ . 1 ]" 1
669 1 47 GLN H 1 47 GLN QB 2.000 . 6.000 2.381 2.116 2.749 . 0 0 "[ . 1 ]" 1
670 1 47 GLN H 1 47 GLN QG 2.000 . 7.000 3.086 1.819 4.178 . 0 0 "[ . 1 ]" 1
671 1 47 GLN HA 1 48 ALA H 2.000 . 3.500 2.844 2.219 3.527 0.027 2 0 "[ . 1 ]" 1
672 1 47 GLN QB 1 48 ALA H 2.000 . 7.000 3.331 1.970 4.063 . 0 0 "[ . 1 ]" 1
673 1 47 GLN QG 1 48 ALA H 2.000 . 7.000 3.314 1.875 4.485 . 0 0 "[ . 1 ]" 1
674 1 48 ALA H 1 48 ALA MB 2.000 . 5.300 2.299 2.033 2.689 . 0 0 "[ . 1 ]" 1
675 1 48 ALA H 1 49 GLY H 2.000 . 6.000 3.223 1.953 4.587 . 0 0 "[ . 1 ]" 1
676 1 48 ALA HA 1 48 ALA MB 2.000 . 5.300 2.139 2.115 2.156 . 0 0 "[ . 1 ]" 1
677 1 48 ALA HA 1 49 GLY H 2.000 . 5.000 2.949 2.213 3.597 . 0 0 "[ . 1 ]" 1
678 1 48 ALA MB 1 49 GLY H 2.000 . 6.300 3.069 2.123 3.643 . 0 0 "[ . 1 ]" 1
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