NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
520659 |
2lgg   |
17808 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgg
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 798
_Distance_constraint_stats_list.Viol_count 1953
_Distance_constraint_stats_list.Viol_total 2635.026
_Distance_constraint_stats_list.Viol_max 0.356
_Distance_constraint_stats_list.Viol_rms 0.0287
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 1 SER 0.241 0.075 9 0 "[ . 1 . 2]"
1 2 GLY 0.241 0.075 9 0 "[ . 1 . 2]"
1 3 PRO 2.223 0.143 8 0 "[ . 1 . 2]"
1 4 SER 0.116 0.041 10 0 "[ . 1 . 2]"
1 5 CYS 4.124 0.284 20 0 "[ . 1 . 2]"
1 6 LYS 7.042 0.188 7 0 "[ . 1 . 2]"
1 7 HIS 6.010 0.342 5 0 "[ . 1 . 2]"
1 8 CYS 2.026 0.233 13 0 "[ . 1 . 2]"
1 9 LYS 10.318 0.356 4 0 "[ . 1 . 2]"
1 10 ASP 4.444 0.356 4 0 "[ . 1 . 2]"
1 11 ASP 1.086 0.143 19 0 "[ . 1 . 2]"
1 12 VAL 2.566 0.196 10 0 "[ . 1 . 2]"
1 13 ASN 5.494 0.251 20 0 "[ . 1 . 2]"
1 14 ARG 3.492 0.251 20 0 "[ . 1 . 2]"
1 15 LEU 3.586 0.265 11 0 "[ . 1 . 2]"
1 16 CYS 1.410 0.089 8 0 "[ . 1 . 2]"
1 17 ARG 2.629 0.144 18 0 "[ . 1 . 2]"
1 18 VAL 5.710 0.205 14 0 "[ . 1 . 2]"
1 19 CYS 1.713 0.139 15 0 "[ . 1 . 2]"
1 20 ALA 2.619 0.184 1 0 "[ . 1 . 2]"
1 21 CYS 2.892 0.139 15 0 "[ . 1 . 2]"
1 22 HIS 0.491 0.070 3 0 "[ . 1 . 2]"
1 23 LEU 2.554 0.200 16 0 "[ . 1 . 2]"
1 24 CYS 2.438 0.096 18 0 "[ . 1 . 2]"
1 25 GLY 7.024 0.279 7 0 "[ . 1 . 2]"
1 26 GLY 1.435 0.097 14 0 "[ . 1 . 2]"
1 27 ARG 3.352 0.279 7 0 "[ . 1 . 2]"
1 28 GLN 1.869 0.097 14 0 "[ . 1 . 2]"
1 29 ASP 1.120 0.109 15 0 "[ . 1 . 2]"
1 30 PRO 1.445 0.147 15 0 "[ . 1 . 2]"
1 31 ASP 2.220 0.147 13 0 "[ . 1 . 2]"
1 32 LYS 2.618 0.245 19 0 "[ . 1 . 2]"
1 33 GLN 2.084 0.147 15 0 "[ . 1 . 2]"
1 34 LEU 5.127 0.238 7 0 "[ . 1 . 2]"
1 35 MET 1.701 0.259 5 0 "[ . 1 . 2]"
1 36 CYS 2.226 0.217 1 0 "[ . 1 . 2]"
1 37 ASP 0.965 0.059 16 0 "[ . 1 . 2]"
1 38 GLU 5.536 0.276 18 0 "[ . 1 . 2]"
1 39 CYS 0.754 0.065 7 0 "[ . 1 . 2]"
1 40 ASP 3.025 0.165 2 0 "[ . 1 . 2]"
1 41 MET 4.145 0.165 2 0 "[ . 1 . 2]"
1 42 ALA 1.790 0.153 1 0 "[ . 1 . 2]"
1 43 PHE 5.700 0.153 1 0 "[ . 1 . 2]"
1 44 HIS 3.198 0.145 7 0 "[ . 1 . 2]"
1 45 ILE 6.687 0.193 6 0 "[ . 1 . 2]"
1 46 TYR 4.014 0.156 6 0 "[ . 1 . 2]"
1 47 CYS 4.712 0.132 8 0 "[ . 1 . 2]"
1 48 LEU 6.483 0.157 9 0 "[ . 1 . 2]"
1 49 ASP 1.683 0.151 16 0 "[ . 1 . 2]"
1 50 PRO 0.401 0.032 12 0 "[ . 1 . 2]"
1 51 PRO 0.839 0.051 19 0 "[ . 1 . 2]"
1 52 LEU 1.677 0.084 20 0 "[ . 1 . 2]"
1 53 SER 0.016 0.008 12 0 "[ . 1 . 2]"
1 54 SER 3.094 0.193 6 0 "[ . 1 . 2]"
1 55 VAL 1.597 0.085 10 0 "[ . 1 . 2]"
1 56 PRO 0.483 0.073 1 0 "[ . 1 . 2]"
1 57 SER 3.448 0.208 13 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 3.507 0.170 15 0 "[ . 1 . 2]"
1 60 GLU 0.585 0.061 5 0 "[ . 1 . 2]"
1 61 TRP 6.720 0.217 1 0 "[ . 1 . 2]"
1 62 TYR 1.319 0.172 18 0 "[ . 1 . 2]"
1 63 CYS 1.222 0.102 4 0 "[ . 1 . 2]"
1 64 PRO 0.290 0.070 1 0 "[ . 1 . 2]"
1 65 GLU 9.439 0.188 6 0 "[ . 1 . 2]"
1 66 CYS 2.536 0.172 18 0 "[ . 1 . 2]"
1 67 ARG 4.172 0.159 19 0 "[ . 1 . 2]"
1 68 ASN 0.094 0.057 17 0 "[ . 1 . 2]"
1 69 ASP 1.011 0.159 19 0 "[ . 1 . 2]"
2 1 ALA 0.680 0.077 17 0 "[ . 1 . 2]"
2 2 ARG 5.505 0.276 18 0 "[ . 1 . 2]"
2 3 THR 0.410 0.060 1 0 "[ . 1 . 2]"
2 4 LYS 2.810 0.205 4 0 "[ . 1 . 2]"
2 5 GLN 2.633 0.245 19 0 "[ . 1 . 2]"
2 6 THR 2.475 0.238 7 0 "[ . 1 . 2]"
2 7 ALA 0.273 0.121 20 0 "[ . 1 . 2]"
2 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 SER 1.784 0.184 10 0 "[ . 1 . 2]"
2 11 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 GLY 1.784 0.184 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER HA 1 2 GLY H 1.800 . 3.500 2.863 2.195 3.575 0.075 9 0 "[ . 1 . 2]" 1
2 1 2 GLY H 1 3 PRO QD 1.800 . 6.000 3.587 2.301 4.402 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY QA 1 3 PRO QD 1.800 . 2.900 2.113 2.020 2.298 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO HA 1 3 PRO QD 1.800 . 3.500 3.393 3.331 3.442 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO HA 1 3 PRO QG 1.800 . 3.500 3.502 3.496 3.510 0.010 10 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 4 SER H 1.800 . 3.500 3.438 2.792 3.505 0.005 8 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 4 SER QB 1.800 . 6.000 5.293 4.545 5.412 . 0 0 "[ . 1 . 2]" 1
8 1 3 PRO QB 1 3 PRO QD 1.800 . 3.500 2.773 2.742 2.826 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO QB 1 4 SER H 1.800 . 6.000 3.350 1.866 3.569 . 0 0 "[ . 1 . 2]" 1
10 1 3 PRO QB 1 5 CYS H 1.800 . 6.000 5.742 5.618 5.961 . 0 0 "[ . 1 . 2]" 1
11 1 3 PRO QG 1 4 SER H 1.800 . 3.500 2.715 2.434 3.541 0.041 10 0 "[ . 1 . 2]" 1
12 1 3 PRO QG 1 5 CYS H 1.800 . 6.000 6.096 5.799 6.143 0.143 8 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 4 SER HA 1.800 . 2.900 2.858 2.842 2.928 0.028 8 0 "[ . 1 . 2]" 1
14 1 4 SER H 1 4 SER QB 1.800 . 3.500 2.425 2.272 2.550 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER H 1 5 CYS H 1.800 . 6.000 4.645 4.606 4.656 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER HA 1 5 CYS H 1.800 . 2.900 2.242 2.220 2.272 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 5 CYS QB 1.800 . 6.000 4.143 3.952 4.443 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER QB 1 5 CYS H 1.800 . 6.000 3.098 2.896 3.653 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER QB 1 5 CYS HB2 1.800 . 6.000 4.819 3.261 5.721 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER QB 1 5 CYS HB3 1.800 . 6.000 5.243 4.229 6.022 0.022 10 0 "[ . 1 . 2]" 1
21 1 5 CYS H 1 6 LYS H 1.800 . 6.000 3.909 2.950 4.551 . 0 0 "[ . 1 . 2]" 1
22 1 5 CYS HA 1 6 LYS H 1.800 . 3.500 2.373 2.179 2.687 . 0 0 "[ . 1 . 2]" 1
23 1 5 CYS HA 1 7 HIS H 1.800 . 6.000 3.612 2.950 6.146 0.146 5 0 "[ . 1 . 2]" 1
24 1 5 CYS QB 1 7 HIS H 1.800 . 6.000 4.078 2.624 5.808 . 0 0 "[ . 1 . 2]" 1
25 1 5 CYS QB 1 8 CYS H 1.800 . 6.000 2.936 1.775 3.904 0.025 20 0 "[ . 1 . 2]" 1
26 1 5 CYS QB 1 9 LYS H 1.800 . 6.000 4.718 3.606 5.221 . 0 0 "[ . 1 . 2]" 1
27 1 5 CYS QB 1 9 LYS QE 1.800 . 6.000 5.992 5.459 6.198 0.198 1 0 "[ . 1 . 2]" 1
28 1 5 CYS QB 1 19 CYS QB 1.800 . 6.000 3.969 2.232 5.452 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS HB2 1 6 LYS H 1.800 . 5.000 4.559 3.871 4.694 . 0 0 "[ . 1 . 2]" 1
30 1 5 CYS HB2 1 10 ASP H 1.800 . 6.000 5.645 4.404 6.284 0.284 20 0 "[ . 1 . 2]" 1
31 1 5 CYS HB3 1 6 LYS H 1.800 . 5.000 4.141 2.485 4.491 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS HB3 1 10 ASP H 1.800 . 6.000 4.615 4.031 6.005 0.005 20 0 "[ . 1 . 2]" 1
33 1 6 LYS H 1 6 LYS HB3 1.800 . 3.500 2.509 2.432 2.600 . 0 0 "[ . 1 . 2]" 1
34 1 6 LYS H 1 6 LYS QE 1.800 . 6.000 4.558 4.268 6.025 0.025 10 0 "[ . 1 . 2]" 1
35 1 6 LYS H 1 6 LYS QG 1.800 . 5.000 2.292 2.007 3.999 . 0 0 "[ . 1 . 2]" 1
36 1 6 LYS H 1 7 HIS HB2 1.800 . 6.000 4.830 4.091 5.735 . 0 0 "[ . 1 . 2]" 1
37 1 6 LYS H 1 7 HIS HB3 1.800 . 6.000 5.309 4.606 6.088 0.088 8 0 "[ . 1 . 2]" 1
38 1 6 LYS H 1 8 CYS H 1.800 . 6.000 4.140 3.674 4.320 . 0 0 "[ . 1 . 2]" 1
39 1 6 LYS HA 1 6 LYS HG2 1.800 . 3.500 3.595 2.923 3.669 0.169 20 0 "[ . 1 . 2]" 1
40 1 6 LYS HA 1 6 LYS HG3 1.800 . 3.500 3.563 2.461 3.688 0.188 7 0 "[ . 1 . 2]" 1
41 1 6 LYS HA 1 7 HIS H 1.800 . 3.500 3.380 2.189 3.544 0.044 17 0 "[ . 1 . 2]" 1
42 1 6 LYS QB 1 7 HIS HA 1.800 . 6.000 4.550 4.309 5.037 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS HB2 1 7 HIS H 1.800 . 5.000 4.014 3.323 4.357 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS HB3 1 7 HIS H 1.800 . 5.000 3.897 1.765 4.297 0.035 10 0 "[ . 1 . 2]" 1
45 1 6 LYS QE 1 6 LYS HG2 1.800 . 3.500 2.511 2.443 3.001 . 0 0 "[ . 1 . 2]" 1
46 1 6 LYS QE 1 6 LYS HG3 1.800 . 3.500 2.353 2.236 2.822 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS QG 1 7 HIS HA 1.800 . 3.500 3.250 3.045 3.655 0.155 1 0 "[ . 1 . 2]" 1
48 1 6 LYS QG 1 8 CYS H 1.800 . 6.000 4.375 4.135 4.663 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS HG2 1 7 HIS H 1.800 . 3.500 2.458 2.018 3.119 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS HG3 1 7 HIS H 1.800 . 3.500 2.808 2.273 3.581 0.081 10 0 "[ . 1 . 2]" 1
51 1 7 HIS H 1 7 HIS HA 1.800 . 2.900 2.862 2.352 2.982 0.082 2 0 "[ . 1 . 2]" 1
52 1 7 HIS H 1 7 HIS HB2 1.800 . 3.500 2.563 2.370 3.277 . 0 0 "[ . 1 . 2]" 1
53 1 7 HIS H 1 7 HIS HB3 1.800 . 3.500 3.003 2.541 3.842 0.342 5 0 "[ . 1 . 2]" 1
54 1 7 HIS H 1 7 HIS HD2 1.800 . 6.000 4.702 2.855 5.460 . 0 0 "[ . 1 . 2]" 1
55 1 7 HIS H 1 8 CYS H 1.800 . 2.900 2.497 1.957 2.937 0.037 5 0 "[ . 1 . 2]" 1
56 1 7 HIS H 1 8 CYS HA 1.800 . 6.000 5.078 4.455 5.398 . 0 0 "[ . 1 . 2]" 1
57 1 7 HIS H 1 9 LYS H 1.800 . 6.000 5.991 4.991 6.241 0.241 18 0 "[ . 1 . 2]" 1
58 1 7 HIS H 1 18 VAL MG1 1.800 . 6.000 5.320 4.120 6.027 0.027 9 0 "[ . 1 . 2]" 1
59 1 7 HIS H 1 18 VAL MG2 1.800 . 6.000 5.095 4.044 5.801 . 0 0 "[ . 1 . 2]" 1
60 1 7 HIS HA 1 8 CYS HA 1.800 . 6.000 4.570 4.466 4.934 . 0 0 "[ . 1 . 2]" 1
61 1 7 HIS HA 1 9 LYS H 1.800 . 6.000 5.802 4.844 6.112 0.112 5 0 "[ . 1 . 2]" 1
62 1 7 HIS QB 1 8 CYS H 1.800 . 5.000 2.743 2.465 3.524 . 0 0 "[ . 1 . 2]" 1
63 1 7 HIS QB 1 18 VAL HB 1.800 . 6.000 4.655 2.802 6.087 0.087 9 0 "[ . 1 . 2]" 1
64 1 7 HIS QB 1 18 VAL QG 1.800 . 6.000 3.498 2.623 4.112 . 0 0 "[ . 1 . 2]" 1
65 1 7 HIS HB2 1 18 VAL MG1 1.800 . 6.000 5.391 3.879 6.076 0.076 11 0 "[ . 1 . 2]" 1
66 1 7 HIS HB2 1 18 VAL MG2 1.800 . 6.000 4.315 2.698 5.242 . 0 0 "[ . 1 . 2]" 1
67 1 7 HIS HB3 1 18 VAL MG1 1.800 . 6.000 5.324 4.501 6.098 0.098 20 0 "[ . 1 . 2]" 1
68 1 7 HIS HB3 1 18 VAL MG2 1.800 . 6.000 4.098 3.128 4.794 . 0 0 "[ . 1 . 2]" 1
69 1 8 CYS H 1 8 CYS HA 1.800 . 2.900 2.942 2.795 2.982 0.082 2 0 "[ . 1 . 2]" 1
70 1 8 CYS H 1 8 CYS QB 1.800 . 3.500 2.722 2.132 3.183 . 0 0 "[ . 1 . 2]" 1
71 1 8 CYS H 1 9 LYS H 1.800 . 5.000 4.009 3.248 4.318 . 0 0 "[ . 1 . 2]" 1
72 1 8 CYS H 1 9 LYS HA 1.800 . 6.000 4.628 4.140 5.451 . 0 0 "[ . 1 . 2]" 1
73 1 8 CYS H 1 9 LYS QD 1.800 . 6.000 5.186 4.224 6.233 0.233 13 0 "[ . 1 . 2]" 1
74 1 8 CYS HA 1 9 LYS H 1.800 . 3.500 2.198 2.142 2.443 . 0 0 "[ . 1 . 2]" 1
75 1 8 CYS HA 1 10 ASP H 1.800 . 3.500 3.406 3.262 3.525 0.025 4 0 "[ . 1 . 2]" 1
76 1 8 CYS HA 1 11 ASP H 1.800 . 6.000 5.031 3.371 6.017 0.017 20 0 "[ . 1 . 2]" 1
77 1 8 CYS QB 1 9 LYS H 1.800 . 5.000 3.677 3.423 4.020 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS H 1 9 LYS HA 1.800 . 2.900 2.868 2.798 2.938 0.038 1 0 "[ . 1 . 2]" 1
79 1 9 LYS H 1 9 LYS HB2 1.800 . 3.500 2.549 2.187 2.710 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS H 1 9 LYS HB3 1.800 . 3.500 3.530 2.881 3.630 0.130 7 0 "[ . 1 . 2]" 1
81 1 9 LYS H 1 9 LYS QD 1.800 . 3.500 3.300 2.847 3.647 0.147 17 0 "[ . 1 . 2]" 1
82 1 9 LYS H 1 9 LYS QE 1.800 . 6.000 4.287 3.693 5.446 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS H 1 9 LYS HG2 1.800 . 5.000 2.585 1.781 4.668 0.019 20 0 "[ . 1 . 2]" 1
84 1 9 LYS H 1 9 LYS HG3 1.800 . 5.000 3.100 1.929 4.457 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS H 1 10 ASP H 1.800 . 2.900 2.653 2.485 2.820 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS H 1 10 ASP HA 1.800 . 6.000 4.989 4.707 5.341 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS H 1 11 ASP H 1.800 . 6.000 4.291 3.853 5.103 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS HA 1 9 LYS QD 1.800 . 6.000 2.712 2.123 4.197 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS HA 1 10 ASP H 1.800 . 3.500 3.337 3.221 3.537 0.037 17 0 "[ . 1 . 2]" 1
90 1 9 LYS QB 1 10 ASP H 1.800 . 3.500 3.206 2.774 3.459 . 0 0 "[ . 1 . 2]" 1
91 1 9 LYS QB 1 10 ASP HA 1.800 . 5.000 4.816 4.387 5.044 0.044 13 0 "[ . 1 . 2]" 1
92 1 9 LYS HB2 1 10 ASP QB 1.800 . 5.000 4.747 3.617 5.356 0.356 4 0 "[ . 1 . 2]" 1
93 1 9 LYS HB3 1 10 ASP QB 1.800 . 5.000 4.596 3.872 5.177 0.177 20 0 "[ . 1 . 2]" 1
94 1 9 LYS QD 1 10 ASP H 1.800 . 6.000 4.831 4.590 5.441 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS QG 1 10 ASP H 1.800 . 5.000 4.124 3.823 4.546 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS QG 1 10 ASP HA 1.800 . 6.000 6.048 5.539 6.175 0.175 5 0 "[ . 1 . 2]" 1
97 1 10 ASP H 1 10 ASP HA 1.800 . 2.900 2.422 2.331 2.867 . 0 0 "[ . 1 . 2]" 1
98 1 10 ASP H 1 10 ASP QB 1.800 . 3.500 3.238 2.944 3.543 0.043 19 0 "[ . 1 . 2]" 1
99 1 10 ASP H 1 11 ASP H 1.800 . 2.900 2.644 1.769 2.912 0.031 17 0 "[ . 1 . 2]" 1
100 1 10 ASP HA 1 11 ASP H 1.800 . 3.500 2.710 2.400 3.134 . 0 0 "[ . 1 . 2]" 1
101 1 10 ASP HA 1 15 LEU HG 1.800 . 6.000 5.665 3.673 6.138 0.138 1 0 "[ . 1 . 2]" 1
102 1 10 ASP QB 1 11 ASP H 1.800 . 6.000 3.944 3.817 4.034 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP H 1 11 ASP HA 1.800 . 2.900 2.875 2.819 2.970 0.070 20 0 "[ . 1 . 2]" 1
104 1 11 ASP H 1 11 ASP HB2 1.800 . 3.500 2.457 2.371 2.764 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP H 1 12 VAL H 1.800 . 6.000 4.544 2.774 4.686 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP H 1 12 VAL HA 1.800 . 6.000 5.560 5.165 5.846 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP H 1 13 ASN H 1.800 . 6.000 5.502 4.742 5.986 . 0 0 "[ . 1 . 2]" 1
108 1 11 ASP H 1 14 ARG QD 1.800 . 6.000 5.161 3.382 6.041 0.041 19 0 "[ . 1 . 2]" 1
109 1 11 ASP H 1 14 ARG QG 1.800 . 6.000 5.365 3.174 6.143 0.143 19 0 "[ . 1 . 2]" 1
110 1 11 ASP HA 1 12 VAL H 1.800 . 3.500 2.336 2.183 3.537 0.037 11 0 "[ . 1 . 2]" 1
111 1 11 ASP HA 1 12 VAL QG 1.800 . 6.000 3.800 3.634 4.238 . 0 0 "[ . 1 . 2]" 1
112 1 11 ASP QB 1 14 ARG HB2 1.800 . 6.000 2.420 2.013 3.634 . 0 0 "[ . 1 . 2]" 1
113 1 11 ASP QB 1 14 ARG HB3 1.800 . 6.000 3.524 2.191 5.005 . 0 0 "[ . 1 . 2]" 1
114 1 11 ASP QB 1 14 ARG QD 1.800 . 6.000 3.476 2.621 4.093 . 0 0 "[ . 1 . 2]" 1
115 1 11 ASP HB2 1 14 ARG HG2 1.800 . 6.000 5.165 4.092 6.132 0.132 20 0 "[ . 1 . 2]" 1
116 1 11 ASP HB2 1 14 ARG QG 1.800 . 6.000 4.012 3.299 5.072 . 0 0 "[ . 1 . 2]" 1
117 1 11 ASP HB2 1 14 ARG HG3 1.800 . 6.000 4.320 3.365 6.004 0.004 15 0 "[ . 1 . 2]" 1
118 1 11 ASP HB3 1 14 ARG HG2 1.800 . 6.000 5.169 3.973 6.100 0.100 18 0 "[ . 1 . 2]" 1
119 1 11 ASP HB3 1 14 ARG QG 1.800 . 6.000 3.829 2.361 5.417 . 0 0 "[ . 1 . 2]" 1
120 1 11 ASP HB3 1 14 ARG HG3 1.800 . 6.000 4.059 2.378 6.062 0.062 18 0 "[ . 1 . 2]" 1
121 1 12 VAL H 1 12 VAL HA 1.800 . 2.900 2.855 2.763 2.897 . 0 0 "[ . 1 . 2]" 1
122 1 12 VAL H 1 12 VAL HB 1.800 . 3.500 2.471 2.354 3.251 . 0 0 "[ . 1 . 2]" 1
123 1 12 VAL H 1 12 VAL QG 1.800 . 3.500 2.376 2.187 3.381 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL H 1 13 ASN H 1.800 . 3.500 2.629 2.386 2.898 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL H 1 13 ASN HB2 1.800 . 6.000 5.055 4.685 6.162 0.162 19 0 "[ . 1 . 2]" 1
126 1 12 VAL H 1 13 ASN HB3 1.800 . 6.000 5.697 5.002 6.196 0.196 10 0 "[ . 1 . 2]" 1
127 1 12 VAL HA 1 12 VAL QG 1.800 . 3.500 2.087 2.035 2.256 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL HA 1 13 ASN H 1.800 . 3.500 3.531 3.503 3.581 0.081 9 0 "[ . 1 . 2]" 1
129 1 12 VAL HB 1 13 ASN H 1.800 . 6.000 2.844 2.612 3.880 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL QG 1 13 ASN H 1.800 . 3.500 3.054 1.881 3.344 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL QG 1 27 ARG QD 1.800 . 6.000 5.653 3.800 6.058 0.058 11 0 "[ . 1 . 2]" 1
132 1 12 VAL QG 2 7 ALA MB 1.800 . 6.000 5.527 4.283 6.121 0.121 20 0 "[ . 1 . 2]" 1
133 1 12 VAL MG1 1 13 ASN QB 1.800 . 6.000 3.912 2.362 4.755 . 0 0 "[ . 1 . 2]" 1
134 1 13 ASN H 1 13 ASN HA 1.800 . 2.900 2.923 2.871 2.988 0.088 3 0 "[ . 1 . 2]" 1
135 1 13 ASN H 1 13 ASN QB 1.800 . 3.500 2.427 2.267 2.723 . 0 0 "[ . 1 . 2]" 1
136 1 13 ASN H 1 13 ASN HD21 1.800 . 6.000 4.340 3.626 5.073 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASN H 1 13 ASN HD22 1.800 . 6.000 4.919 4.044 6.060 0.060 9 0 "[ . 1 . 2]" 1
138 1 13 ASN H 1 14 ARG H 1.800 . 3.500 2.564 2.017 3.356 . 0 0 "[ . 1 . 2]" 1
139 1 13 ASN H 1 14 ARG HB3 1.800 . 6.000 5.775 4.319 6.251 0.251 20 0 "[ . 1 . 2]" 1
140 1 13 ASN H 1 14 ARG QD 1.800 . 6.000 5.756 4.794 6.187 0.187 14 0 "[ . 1 . 2]" 1
141 1 13 ASN QB 1 13 ASN HD22 1.800 . 3.500 3.322 3.270 3.478 . 0 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG QB 1.800 . 3.500 2.616 2.446 2.972 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 15 LEU H 1.800 . 6.000 4.098 2.883 4.521 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 15 LEU QD 1.800 . 6.000 5.135 3.004 5.787 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG HA 1 14 ARG QD 1.800 . 6.000 3.882 2.206 4.195 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG HA 1 14 ARG QG 1.800 . 3.500 2.364 2.247 2.654 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG HA 1 15 LEU H 1.800 . 3.500 2.279 2.184 2.721 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG QB 1 14 ARG QD 1.800 . 2.900 2.156 2.102 2.292 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG QB 1 15 LEU H 1.800 . 5.000 3.451 2.772 4.051 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG QD 1 15 LEU H 1.800 . 6.000 5.292 4.308 6.010 0.010 19 0 "[ . 1 . 2]" 1
151 1 15 LEU H 1 15 LEU HB2 1.800 . 3.500 2.578 2.096 3.639 0.139 3 0 "[ . 1 . 2]" 1
152 1 15 LEU H 1 15 LEU HB3 1.800 . 3.500 2.977 2.567 3.471 . 0 0 "[ . 1 . 2]" 1
153 1 15 LEU H 1 15 LEU MD1 1.800 . 6.000 4.068 3.542 4.437 . 0 0 "[ . 1 . 2]" 1
154 1 15 LEU H 1 15 LEU MD2 1.800 . 6.000 4.265 2.415 4.475 . 0 0 "[ . 1 . 2]" 1
155 1 15 LEU H 1 16 CYS H 1.800 . 6.000 4.529 4.311 4.619 . 0 0 "[ . 1 . 2]" 1
156 1 15 LEU H 1 25 GLY QA 1.800 . 6.000 5.882 4.305 6.265 0.265 11 0 "[ . 1 . 2]" 1
157 1 15 LEU HA 1 15 LEU QD 1.800 . 3.500 2.289 2.081 3.406 . 0 0 "[ . 1 . 2]" 1
158 1 15 LEU HA 1 15 LEU HG 1.800 . 3.500 2.509 2.254 3.481 . 0 0 "[ . 1 . 2]" 1
159 1 15 LEU HA 1 16 CYS H 1.800 . 2.900 2.243 2.196 2.290 . 0 0 "[ . 1 . 2]" 1
160 1 15 LEU HA 1 16 CYS QB 1.800 . 6.000 4.145 3.981 4.776 . 0 0 "[ . 1 . 2]" 1
161 1 15 LEU QB 1 15 LEU MD1 1.800 . 3.500 2.115 2.056 2.180 . 0 0 "[ . 1 . 2]" 1
162 1 15 LEU QB 1 15 LEU MD2 1.800 . 3.500 2.135 2.053 2.280 . 0 0 "[ . 1 . 2]" 1
163 1 15 LEU QB 1 25 GLY QA 1.800 . 6.000 3.968 3.234 4.552 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU QB 1 26 GLY H 1.800 . 6.000 4.824 3.480 6.057 0.057 9 0 "[ . 1 . 2]" 1
165 1 15 LEU HB2 1 16 CYS H 1.800 . 6.000 4.284 3.080 4.606 . 0 0 "[ . 1 . 2]" 1
166 1 15 LEU HB2 1 25 GLY QA 1.800 . 6.000 5.258 4.201 6.012 0.012 12 0 "[ . 1 . 2]" 1
167 1 15 LEU HB3 1 16 CYS H 1.800 . 6.000 3.730 3.177 4.140 . 0 0 "[ . 1 . 2]" 1
168 1 15 LEU HB3 1 25 GLY QA 1.800 . 6.000 4.169 3.337 6.085 0.085 3 0 "[ . 1 . 2]" 1
169 1 15 LEU QD 1 16 CYS H 1.800 . 6.000 2.671 1.756 3.867 0.044 2 0 "[ . 1 . 2]" 1
170 1 15 LEU QD 1 17 ARG QB 1.800 . 6.000 5.776 4.840 6.144 0.144 18 0 "[ . 1 . 2]" 1
171 1 15 LEU QD 1 21 CYS H 1.800 . 6.000 3.779 2.548 4.501 . 0 0 "[ . 1 . 2]" 1
172 1 15 LEU QD 1 25 GLY H 1.800 . 6.000 5.427 4.033 6.143 0.143 18 0 "[ . 1 . 2]" 1
173 1 15 LEU QD 1 25 GLY QA 1.800 . 6.000 3.468 2.189 4.431 . 0 0 "[ . 1 . 2]" 1
174 1 15 LEU QD 1 26 GLY H 1.800 . 6.000 3.593 1.832 5.276 . 0 0 "[ . 1 . 2]" 1
175 1 15 LEU QD 1 26 GLY HA2 1.800 . 6.000 3.570 2.228 5.376 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU QD 1 26 GLY HA3 1.800 . 6.000 3.948 2.476 5.634 . 0 0 "[ . 1 . 2]" 1
177 1 15 LEU QD 1 27 ARG H 1.800 . 6.000 3.559 1.985 4.709 . 0 0 "[ . 1 . 2]" 1
178 1 15 LEU MD1 1 25 GLY QA 1.800 . 6.000 4.832 2.816 6.026 0.026 12 0 "[ . 1 . 2]" 1
179 1 15 LEU MD2 1 25 GLY QA 1.800 . 6.000 3.817 2.193 5.171 . 0 0 "[ . 1 . 2]" 1
180 1 16 CYS H 1 16 CYS HA 1.800 . 2.900 2.955 2.820 2.989 0.089 8 0 "[ . 1 . 2]" 1
181 1 16 CYS H 1 16 CYS QB 1.800 . 3.500 2.437 2.113 2.919 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS H 1 17 ARG H 1.800 . 6.000 4.465 4.113 4.582 . 0 0 "[ . 1 . 2]" 1
183 1 16 CYS H 1 20 ALA H 1.800 . 6.000 4.502 3.602 5.742 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS H 1 20 ALA MB 1.800 . 6.000 3.264 2.730 4.039 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS H 1 25 GLY QA 1.800 . 6.000 5.559 4.875 6.062 0.062 10 0 "[ . 1 . 2]" 1
186 1 16 CYS HA 1 17 ARG H 1.800 . 3.500 2.474 2.185 2.941 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS HA 1 17 ARG QB 1.800 . 6.000 4.573 4.310 4.752 . 0 0 "[ . 1 . 2]" 1
188 1 16 CYS QB 1 18 VAL H 1.800 . 6.000 3.441 2.514 4.116 . 0 0 "[ . 1 . 2]" 1
189 1 16 CYS QB 1 20 ALA MB 1.800 . 6.000 4.281 2.870 4.556 . 0 0 "[ . 1 . 2]" 1
190 1 16 CYS HB2 1 17 ARG H 1.800 . 6.000 3.000 2.153 4.651 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS HB2 1 20 ALA H 1.800 . 6.000 5.404 4.130 5.951 . 0 0 "[ . 1 . 2]" 1
192 1 16 CYS HB2 1 20 ALA MB 1.800 . 6.000 4.998 3.138 5.300 . 0 0 "[ . 1 . 2]" 1
193 1 16 CYS HB3 1 17 ARG H 1.800 . 6.000 3.937 3.290 4.454 . 0 0 "[ . 1 . 2]" 1
194 1 16 CYS HB3 1 20 ALA H 1.800 . 6.000 5.146 3.149 6.007 0.007 2 0 "[ . 1 . 2]" 1
195 1 16 CYS HB3 1 20 ALA MB 1.800 . 6.000 4.707 3.325 5.098 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG H 1 17 ARG HA 1.800 . 2.900 2.877 2.806 2.989 0.089 14 0 "[ . 1 . 2]" 1
197 1 17 ARG H 1 17 ARG QG 1.800 . 6.000 2.337 1.754 4.076 0.046 9 0 "[ . 1 . 2]" 1
198 1 17 ARG H 1 18 VAL H 1.800 . 5.000 2.539 1.838 2.874 . 0 0 "[ . 1 . 2]" 1
199 1 17 ARG H 1 18 VAL MG1 1.800 . 6.000 5.679 3.657 6.120 0.120 4 0 "[ . 1 . 2]" 1
200 1 17 ARG H 1 18 VAL MG2 1.800 . 6.000 4.193 3.274 4.755 . 0 0 "[ . 1 . 2]" 1
201 1 17 ARG H 1 19 CYS H 1.800 . 6.000 4.267 4.091 4.523 . 0 0 "[ . 1 . 2]" 1
202 1 17 ARG H 1 20 ALA H 1.800 . 6.000 4.419 4.248 4.671 . 0 0 "[ . 1 . 2]" 1
203 1 17 ARG H 1 25 GLY QA 1.800 . 6.000 4.430 3.223 5.801 . 0 0 "[ . 1 . 2]" 1
204 1 17 ARG HA 1 17 ARG QD 1.800 . 6.000 3.763 2.180 3.960 . 0 0 "[ . 1 . 2]" 1
205 1 17 ARG HA 1 17 ARG QG 1.800 . 3.500 2.350 2.233 2.906 . 0 0 "[ . 1 . 2]" 1
206 1 17 ARG QB 1 18 VAL H 1.800 . 6.000 2.816 2.578 3.174 . 0 0 "[ . 1 . 2]" 1
207 1 17 ARG QB 1 18 VAL HA 1.800 . 6.000 3.957 3.899 4.059 . 0 0 "[ . 1 . 2]" 1
208 1 17 ARG QB 1 22 HIS HA 1.800 . 6.000 2.897 2.198 5.977 . 0 0 "[ . 1 . 2]" 1
209 1 17 ARG QB 1 25 GLY H 1.800 . 6.000 5.067 3.763 6.073 0.073 14 0 "[ . 1 . 2]" 1
210 1 17 ARG QB 1 25 GLY QA 1.800 . 6.000 4.150 3.540 5.026 . 0 0 "[ . 1 . 2]" 1
211 1 17 ARG HB2 1 17 ARG QD 1.800 . 3.500 2.438 2.325 3.307 . 0 0 "[ . 1 . 2]" 1
212 1 17 ARG HB3 1 17 ARG QD 1.800 . 3.500 2.444 2.292 3.298 . 0 0 "[ . 1 . 2]" 1
213 1 17 ARG QD 1 18 VAL H 1.800 . 6.000 4.921 4.487 5.297 . 0 0 "[ . 1 . 2]" 1
214 1 17 ARG QD 1 25 GLY QA 1.800 . 6.000 4.003 2.813 4.455 . 0 0 "[ . 1 . 2]" 1
215 1 17 ARG HE 1 25 GLY QA 1.800 . 3.500 3.397 2.504 3.605 0.105 12 0 "[ . 1 . 2]" 1
216 1 17 ARG QG 1 18 VAL HA 1.800 . 6.000 5.780 5.591 5.836 . 0 0 "[ . 1 . 2]" 1
217 1 17 ARG QG 1 23 LEU HA 1.800 . 6.000 4.421 2.581 5.851 . 0 0 "[ . 1 . 2]" 1
218 1 17 ARG QG 1 25 GLY H 1.800 . 6.000 3.544 1.760 5.762 0.040 20 0 "[ . 1 . 2]" 1
219 1 17 ARG HG2 1 23 LEU HA 1.800 . 6.000 4.639 2.690 6.078 0.078 20 0 "[ . 1 . 2]" 1
220 1 17 ARG HG2 1 25 GLY QA 1.800 . 6.000 2.741 2.073 4.857 . 0 0 "[ . 1 . 2]" 1
221 1 17 ARG HG3 1 25 GLY QA 1.800 . 6.000 3.435 2.650 5.631 . 0 0 "[ . 1 . 2]" 1
222 1 18 VAL H 1 18 VAL HA 1.800 . 2.900 2.872 2.853 2.899 . 0 0 "[ . 1 . 2]" 1
223 1 18 VAL H 1 18 VAL MG1 1.800 . 6.000 3.651 1.796 3.783 0.004 9 0 "[ . 1 . 2]" 1
224 1 18 VAL H 1 18 VAL MG2 1.800 . 6.000 2.412 2.074 2.849 . 0 0 "[ . 1 . 2]" 1
225 1 18 VAL H 1 19 CYS H 1.800 . 3.500 2.659 2.574 2.757 . 0 0 "[ . 1 . 2]" 1
226 1 18 VAL H 1 19 CYS QB 1.800 . 6.000 4.949 4.696 5.344 . 0 0 "[ . 1 . 2]" 1
227 1 18 VAL H 1 20 ALA H 1.800 . 3.500 3.579 3.422 3.684 0.184 1 0 "[ . 1 . 2]" 1
228 1 18 VAL HA 1 18 VAL MG1 1.800 . 3.500 2.423 2.301 2.624 . 0 0 "[ . 1 . 2]" 1
229 1 18 VAL HA 1 18 VAL MG2 1.800 . 3.500 2.319 2.172 3.135 . 0 0 "[ . 1 . 2]" 1
230 1 18 VAL HA 1 19 CYS H 1.800 . 3.500 3.544 3.479 3.576 0.076 14 0 "[ . 1 . 2]" 1
231 1 18 VAL HA 1 20 ALA H 1.800 . 6.000 4.120 3.777 4.669 . 0 0 "[ . 1 . 2]" 1
232 1 18 VAL HB 1 19 CYS H 1.800 . 6.000 2.699 2.434 4.176 . 0 0 "[ . 1 . 2]" 1
233 1 18 VAL QG 1 19 CYS QB 1.800 . 6.000 3.683 2.392 4.292 . 0 0 "[ . 1 . 2]" 1
234 1 18 VAL QG 1 41 MET ME 1.800 . 6.000 5.774 4.828 6.085 0.085 20 0 "[ . 1 . 2]" 1
235 1 18 VAL QG 2 4 LYS QG 1.800 . 6.000 6.029 5.099 6.205 0.205 14 0 "[ . 1 . 2]" 1
236 1 18 VAL QG 2 4 LYS QZ 1.800 . 6.000 4.604 3.916 6.002 0.002 4 0 "[ . 1 . 2]" 1
237 1 18 VAL MG1 1 19 CYS H 1.800 . 6.000 3.233 2.367 3.524 . 0 0 "[ . 1 . 2]" 1
238 1 18 VAL MG1 1 20 ALA H 1.800 . 6.000 4.628 4.144 4.939 . 0 0 "[ . 1 . 2]" 1
239 1 18 VAL MG2 1 19 CYS H 1.800 . 6.000 3.840 2.097 4.024 . 0 0 "[ . 1 . 2]" 1
240 1 18 VAL MG2 1 20 ALA H 1.800 . 6.000 4.975 3.797 5.306 . 0 0 "[ . 1 . 2]" 1
241 1 19 CYS H 1 19 CYS QB 1.800 . 3.500 2.631 2.366 2.960 . 0 0 "[ . 1 . 2]" 1
242 1 19 CYS H 1 20 ALA H 1.800 . 2.900 2.216 1.870 2.493 . 0 0 "[ . 1 . 2]" 1
243 1 19 CYS H 1 20 ALA HA 1.800 . 6.000 4.904 4.603 5.030 . 0 0 "[ . 1 . 2]" 1
244 1 19 CYS H 1 20 ALA MB 1.800 . 6.000 3.843 3.530 4.069 . 0 0 "[ . 1 . 2]" 1
245 1 19 CYS H 1 21 CYS H 1.800 . 6.000 5.931 5.019 6.139 0.139 15 0 "[ . 1 . 2]" 1
246 1 19 CYS HA 1 20 ALA H 1.800 . 3.500 3.341 3.191 3.462 . 0 0 "[ . 1 . 2]" 1
247 1 19 CYS QB 1 20 ALA MB 1.800 . 6.000 4.008 3.483 4.621 . 0 0 "[ . 1 . 2]" 1
248 1 19 CYS QB 2 4 LYS QD 1.800 . 6.000 4.050 2.790 4.929 . 0 0 "[ . 1 . 2]" 1
249 1 19 CYS HB2 1 20 ALA H 1.800 . 6.000 3.723 2.935 4.398 . 0 0 "[ . 1 . 2]" 1
250 1 19 CYS HB3 1 20 ALA H 1.800 . 6.000 4.226 3.849 4.521 . 0 0 "[ . 1 . 2]" 1
251 1 20 ALA H 1 20 ALA MB 1.800 . 3.500 2.406 2.186 2.570 . 0 0 "[ . 1 . 2]" 1
252 1 20 ALA H 1 21 CYS QB 1.800 . 6.000 5.547 4.996 5.830 . 0 0 "[ . 1 . 2]" 1
253 1 20 ALA HA 1 21 CYS H 1.800 . 3.500 3.190 2.985 3.555 0.055 14 0 "[ . 1 . 2]" 1
254 1 20 ALA HA 1 26 GLY H 1.800 . 6.000 5.519 3.820 6.067 0.067 15 0 "[ . 1 . 2]" 1
255 1 20 ALA MB 1 21 CYS H 1.800 . 2.900 1.776 1.717 1.869 0.083 10 0 "[ . 1 . 2]" 1
256 1 20 ALA MB 1 21 CYS HA 1.800 . 6.000 4.036 3.985 4.079 . 0 0 "[ . 1 . 2]" 1
257 1 20 ALA MB 1 21 CYS QB 1.800 . 6.000 3.315 2.983 3.532 . 0 0 "[ . 1 . 2]" 1
258 1 20 ALA MB 1 25 GLY QA 1.800 . 6.000 2.442 2.083 3.198 . 0 0 "[ . 1 . 2]" 1
259 1 20 ALA MB 1 27 ARG H 1.800 . 6.000 5.134 3.321 6.063 0.063 20 0 "[ . 1 . 2]" 1
260 1 20 ALA MB 1 27 ARG HA 1.800 . 6.000 4.817 3.700 6.018 0.018 2 0 "[ . 1 . 2]" 1
261 1 21 CYS H 1 21 CYS HA 1.800 . 2.900 2.949 2.913 2.988 0.088 2 0 "[ . 1 . 2]" 1
262 1 21 CYS H 1 21 CYS HB2 1.800 . 3.500 2.367 2.123 3.086 . 0 0 "[ . 1 . 2]" 1
263 1 21 CYS H 1 21 CYS HB3 1.800 . 3.500 3.057 2.300 3.326 . 0 0 "[ . 1 . 2]" 1
264 1 21 CYS H 1 22 HIS H 1.800 . 6.000 4.546 4.407 4.637 . 0 0 "[ . 1 . 2]" 1
265 1 21 CYS H 1 25 GLY H 1.800 . 6.000 4.193 2.723 5.946 . 0 0 "[ . 1 . 2]" 1
266 1 21 CYS H 1 25 GLY QA 1.800 . 3.500 2.692 1.877 3.530 0.030 19 0 "[ . 1 . 2]" 1
267 1 21 CYS H 1 26 GLY H 1.800 . 3.500 3.342 2.080 3.564 0.064 7 0 "[ . 1 . 2]" 1
268 1 21 CYS H 1 26 GLY QA 1.800 . 6.000 4.797 2.713 5.608 . 0 0 "[ . 1 . 2]" 1
269 1 21 CYS HA 1 22 HIS H 1.800 . 3.500 2.302 2.185 2.580 . 0 0 "[ . 1 . 2]" 1
270 1 21 CYS HA 1 22 HIS QB 1.800 . 6.000 4.234 4.145 4.437 . 0 0 "[ . 1 . 2]" 1
271 1 21 CYS HA 1 23 LEU H 1.800 . 6.000 4.185 3.782 4.626 . 0 0 "[ . 1 . 2]" 1
272 1 21 CYS HA 1 42 ALA MB 1.800 . 6.000 3.266 2.369 4.105 . 0 0 "[ . 1 . 2]" 1
273 1 21 CYS QB 1 22 HIS H 1.800 . 6.000 3.307 2.691 3.812 . 0 0 "[ . 1 . 2]" 1
274 1 21 CYS QB 1 23 LEU QB 1.800 . 6.000 4.271 3.672 5.183 . 0 0 "[ . 1 . 2]" 1
275 1 21 CYS HB2 1 26 GLY H 1.800 . 6.000 3.005 1.790 4.800 0.010 10 0 "[ . 1 . 2]" 1
276 1 21 CYS HB3 1 26 GLY H 1.800 . 6.000 3.774 2.068 5.145 . 0 0 "[ . 1 . 2]" 1
277 1 22 HIS H 1 22 HIS HB2 1.800 . 3.500 2.490 2.426 2.559 . 0 0 "[ . 1 . 2]" 1
278 1 22 HIS H 1 23 LEU H 1.800 . 3.500 2.785 2.622 2.885 . 0 0 "[ . 1 . 2]" 1
279 1 22 HIS H 1 42 ALA H 1.800 . 6.000 4.178 2.930 4.775 . 0 0 "[ . 1 . 2]" 1
280 1 22 HIS QB 1 23 LEU QD 1.800 . 3.500 3.043 2.082 3.446 . 0 0 "[ . 1 . 2]" 1
281 1 22 HIS QB 1 41 MET HB2 1.800 . 6.000 5.759 4.608 6.070 0.070 3 0 "[ . 1 . 2]" 1
282 1 22 HIS QB 1 41 MET HB3 1.800 . 6.000 4.324 3.223 6.014 0.014 1 0 "[ . 1 . 2]" 1
283 1 22 HIS HB2 1 23 LEU H 1.800 . 6.000 3.889 3.797 4.001 . 0 0 "[ . 1 . 2]" 1
284 1 22 HIS HB2 1 23 LEU QD 1.800 . 5.000 4.302 3.496 4.638 . 0 0 "[ . 1 . 2]" 1
285 1 22 HIS HB2 1 42 ALA H 1.800 . 6.000 3.546 2.123 4.526 . 0 0 "[ . 1 . 2]" 1
286 1 22 HIS HB3 1 23 LEU H 1.800 . 6.000 2.628 2.445 2.803 . 0 0 "[ . 1 . 2]" 1
287 1 22 HIS HB3 1 23 LEU QD 1.800 . 3.500 3.121 2.098 3.560 0.060 9 0 "[ . 1 . 2]" 1
288 1 22 HIS HB3 1 42 ALA H 1.800 . 6.000 4.882 3.070 6.014 0.014 10 0 "[ . 1 . 2]" 1
289 1 22 HIS HD2 1 23 LEU QD 1.800 . 5.000 3.099 2.066 4.933 . 0 0 "[ . 1 . 2]" 1
290 1 22 HIS HD2 1 23 LEU HG 1.800 . 6.000 4.240 2.283 6.013 0.013 19 0 "[ . 1 . 2]" 1
291 1 23 LEU H 1 23 LEU QD 1.800 . 6.000 3.045 1.792 3.572 0.008 15 0 "[ . 1 . 2]" 1
292 1 23 LEU H 1 24 CYS H 1.800 . 6.000 2.376 1.768 2.870 0.032 10 0 "[ . 1 . 2]" 1
293 1 23 LEU H 1 24 CYS HA 1.800 . 6.000 4.970 4.452 5.355 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU H 1 25 GLY H 1.800 . 6.000 4.810 2.908 6.075 0.075 19 0 "[ . 1 . 2]" 1
295 1 23 LEU HA 1 23 LEU MD1 1.800 . 6.000 3.522 2.092 3.924 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU HA 1 23 LEU MD2 1.800 . 6.000 2.437 2.046 3.966 . 0 0 "[ . 1 . 2]" 1
297 1 23 LEU HA 1 24 CYS H 1.800 . 3.500 3.561 3.493 3.596 0.096 18 0 "[ . 1 . 2]" 1
298 1 23 LEU QB 1 23 LEU QD 1.800 . 3.500 1.909 1.847 1.992 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU QB 1 24 CYS H 1.800 . 3.500 2.470 1.864 3.540 0.040 10 0 "[ . 1 . 2]" 1
300 1 23 LEU QB 1 24 CYS QB 1.800 . 6.000 4.036 3.282 5.225 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU QB 1 25 GLY QA 1.800 . 6.000 5.934 5.412 6.200 0.200 16 0 "[ . 1 . 2]" 1
302 1 23 LEU QD 1 24 CYS H 1.800 . 5.000 3.749 2.624 4.137 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU QD 1 47 CYS QB 1.800 . 6.000 5.079 4.241 6.002 0.002 13 0 "[ . 1 . 2]" 1
304 1 23 LEU HG 1 24 CYS H 1.800 . 6.000 4.084 1.798 5.256 0.002 12 0 "[ . 1 . 2]" 1
305 1 24 CYS H 1 24 CYS HA 1.800 . 2.900 2.892 2.752 2.986 0.086 16 0 "[ . 1 . 2]" 1
306 1 24 CYS H 1 25 GLY H 1.800 . 6.000 3.516 1.810 4.549 . 0 0 "[ . 1 . 2]" 1
307 1 24 CYS H 1 25 GLY QA 1.800 . 6.000 4.686 3.822 5.271 . 0 0 "[ . 1 . 2]" 1
308 1 24 CYS HA 1 25 GLY H 1.800 . 3.500 2.883 2.182 3.593 0.093 11 0 "[ . 1 . 2]" 1
309 1 24 CYS HA 1 26 GLY H 1.800 . 6.000 4.998 3.537 6.027 0.027 10 0 "[ . 1 . 2]" 1
310 1 24 CYS QB 1 25 GLY H 1.800 . 6.000 3.138 1.752 3.771 0.048 15 0 "[ . 1 . 2]" 1
311 1 24 CYS QB 1 26 GLY H 1.800 . 6.000 3.946 2.222 6.015 0.015 14 0 "[ . 1 . 2]" 1
312 1 25 GLY H 1 26 GLY H 1.800 . 6.000 3.375 2.123 4.610 . 0 0 "[ . 1 . 2]" 1
313 1 25 GLY H 1 26 GLY QA 1.800 . 6.000 4.658 4.071 5.345 . 0 0 "[ . 1 . 2]" 1
314 1 25 GLY QA 1 26 GLY H 1.800 . 2.900 2.504 2.128 2.924 0.024 12 0 "[ . 1 . 2]" 1
315 1 25 GLY QA 1 27 ARG HA 1.800 . 6.000 5.953 4.948 6.279 0.279 7 0 "[ . 1 . 2]" 1
316 1 26 GLY H 1 27 ARG H 1.800 . 6.000 4.059 2.548 4.532 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLY H 1 28 GLN HE21 1.800 . 6.000 4.851 3.871 6.043 0.043 6 0 "[ . 1 . 2]" 1
318 1 26 GLY H 1 28 GLN HE22 1.800 . 6.000 5.673 2.681 6.097 0.097 14 0 "[ . 1 . 2]" 1
319 1 26 GLY QA 1 27 ARG QG 1.800 . 6.000 4.156 3.267 5.566 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLY QA 1 28 GLN H 1.800 . 6.000 3.756 2.863 5.943 . 0 0 "[ . 1 . 2]" 1
321 1 26 GLY QA 1 28 GLN QB 1.800 . 6.000 4.571 3.463 6.089 0.089 17 0 "[ . 1 . 2]" 1
322 1 26 GLY QA 1 28 GLN HE21 1.800 . 6.000 4.089 2.842 6.006 0.006 17 0 "[ . 1 . 2]" 1
323 1 26 GLY QA 1 28 GLN HE22 1.800 . 6.000 4.923 3.283 6.040 0.040 6 0 "[ . 1 . 2]" 1
324 1 26 GLY HA2 1 27 ARG H 1.800 . 3.500 2.761 2.196 3.468 . 0 0 "[ . 1 . 2]" 1
325 1 26 GLY HA3 1 27 ARG H 1.800 . 3.500 2.806 2.173 3.532 0.032 10 0 "[ . 1 . 2]" 1
326 1 27 ARG H 1 27 ARG HA 1.800 . 2.900 2.887 2.332 2.981 0.081 5 0 "[ . 1 . 2]" 1
327 1 27 ARG H 1 27 ARG QB 1.800 . 3.500 2.552 2.269 3.049 . 0 0 "[ . 1 . 2]" 1
328 1 27 ARG H 1 27 ARG QD 1.800 . 6.000 4.188 3.556 5.363 . 0 0 "[ . 1 . 2]" 1
329 1 27 ARG H 1 27 ARG QG 1.800 . 6.000 2.836 1.850 4.393 . 0 0 "[ . 1 . 2]" 1
330 1 27 ARG H 1 28 GLN H 1.800 . 6.000 3.166 1.794 4.612 0.006 2 0 "[ . 1 . 2]" 1
331 1 27 ARG QB 1 27 ARG QD 1.800 . 3.500 2.216 2.129 2.353 . 0 0 "[ . 1 . 2]" 1
332 1 27 ARG QG 1 28 GLN H 1.800 . 6.000 3.872 2.471 4.486 . 0 0 "[ . 1 . 2]" 1
333 1 28 GLN H 1 28 GLN HA 1.800 . 2.900 2.863 2.811 2.979 0.079 12 0 "[ . 1 . 2]" 1
334 1 28 GLN H 1 28 GLN QG 1.800 . 6.000 2.202 1.796 3.143 0.004 2 0 "[ . 1 . 2]" 1
335 1 28 GLN H 1 30 PRO QD 1.800 . 6.000 3.721 1.754 5.931 0.046 5 0 "[ . 1 . 2]" 1
336 1 28 GLN HA 1 29 ASP H 1.800 . 3.500 3.048 2.220 3.567 0.067 2 0 "[ . 1 . 2]" 1
337 1 28 GLN HB2 1 29 ASP H 1.800 . 6.000 3.268 2.345 4.435 . 0 0 "[ . 1 . 2]" 1
338 1 28 GLN HB3 1 28 GLN HE21 1.800 . 6.000 3.750 1.921 4.491 . 0 0 "[ . 1 . 2]" 1
339 1 28 GLN HB3 1 29 ASP H 1.800 . 6.000 3.656 2.649 4.648 . 0 0 "[ . 1 . 2]" 1
340 1 28 GLN QE 1 29 ASP QB 1.800 . 6.000 5.848 5.108 6.066 0.066 2 0 "[ . 1 . 2]" 1
341 1 28 GLN QG 1 29 ASP QB 1.800 . 6.000 5.039 3.898 5.890 . 0 0 "[ . 1 . 2]" 1
342 1 29 ASP H 1 29 ASP QB 1.800 . 3.500 2.989 2.080 3.461 . 0 0 "[ . 1 . 2]" 1
343 1 29 ASP H 1 30 PRO HD2 1.800 . 6.000 3.363 2.695 4.742 . 0 0 "[ . 1 . 2]" 1
344 1 29 ASP H 1 30 PRO HD3 1.800 . 6.000 2.482 1.742 5.168 0.058 15 0 "[ . 1 . 2]" 1
345 1 29 ASP QB 1 32 LYS HB2 1.800 . 6.000 3.165 2.241 5.937 . 0 0 "[ . 1 . 2]" 1
346 1 29 ASP QB 1 32 LYS HB3 1.800 . 6.000 4.577 3.630 6.109 0.109 15 0 "[ . 1 . 2]" 1
347 1 29 ASP QB 1 32 LYS HG2 1.800 . 6.000 4.831 2.405 6.032 0.032 17 0 "[ . 1 . 2]" 1
348 1 29 ASP QB 1 32 LYS HG3 1.800 . 6.000 3.596 2.336 5.784 . 0 0 "[ . 1 . 2]" 1
349 1 30 PRO HA 1 31 ASP H 1.800 . 3.500 3.501 3.447 3.554 0.054 13 0 "[ . 1 . 2]" 1
350 1 30 PRO HA 1 33 GLN H 1.800 . 6.000 3.980 3.275 6.147 0.147 15 0 "[ . 1 . 2]" 1
351 1 30 PRO QB 1 30 PRO HD2 1.800 . 3.500 3.344 2.952 3.541 0.041 6 0 "[ . 1 . 2]" 1
352 1 30 PRO QB 1 30 PRO HD3 1.800 . 3.500 3.178 2.939 3.541 0.041 19 0 "[ . 1 . 2]" 1
353 1 30 PRO QB 2 5 GLN QG 1.800 . 6.000 4.732 1.990 6.045 0.045 15 0 "[ . 1 . 2]" 1
354 1 30 PRO QD 1 31 ASP HA 1.800 . 6.000 5.244 5.039 5.464 . 0 0 "[ . 1 . 2]" 1
355 1 30 PRO HD2 1 31 ASP H 1.800 . 6.000 2.844 2.537 3.135 . 0 0 "[ . 1 . 2]" 1
356 1 30 PRO HD3 1 31 ASP H 1.800 . 6.000 3.990 3.858 4.139 . 0 0 "[ . 1 . 2]" 1
357 1 31 ASP H 1 31 ASP HB2 1.800 . 3.500 2.498 2.395 3.647 0.147 13 0 "[ . 1 . 2]" 1
358 1 31 ASP H 1 31 ASP HB3 1.800 . 3.500 3.359 2.610 3.605 0.105 6 0 "[ . 1 . 2]" 1
359 1 31 ASP H 1 32 LYS H 1.800 . 3.500 2.637 2.510 2.701 . 0 0 "[ . 1 . 2]" 1
360 1 31 ASP H 1 33 GLN H 1.800 . 6.000 4.501 3.963 5.649 . 0 0 "[ . 1 . 2]" 1
361 1 31 ASP HA 1 32 LYS H 1.800 . 3.500 3.494 3.292 3.531 0.031 8 0 "[ . 1 . 2]" 1
362 1 31 ASP QB 1 32 LYS HB2 1.800 . 6.000 4.627 3.882 5.950 . 0 0 "[ . 1 . 2]" 1
363 1 31 ASP QB 1 32 LYS HB3 1.800 . 6.000 5.294 4.400 6.119 0.119 13 0 "[ . 1 . 2]" 1
364 1 32 LYS H 1 32 LYS HG2 1.800 . 6.000 3.609 2.007 4.835 . 0 0 "[ . 1 . 2]" 1
365 1 32 LYS H 1 32 LYS HG3 1.800 . 6.000 2.705 2.204 4.545 . 0 0 "[ . 1 . 2]" 1
366 1 32 LYS H 1 33 GLN H 1.800 . 3.500 2.808 2.084 3.628 0.128 20 0 "[ . 1 . 2]" 1
367 1 32 LYS HA 1 33 GLN H 1.800 . 3.500 3.006 2.209 3.539 0.039 6 0 "[ . 1 . 2]" 1
368 1 32 LYS HA 1 55 VAL QG 1.800 . 6.000 3.804 2.110 5.448 . 0 0 "[ . 1 . 2]" 1
369 1 32 LYS QB 1 32 LYS QE 1.800 . 5.000 3.526 2.226 3.694 . 0 0 "[ . 1 . 2]" 1
370 1 32 LYS HB2 1 45 ILE MD 1.800 . 6.000 5.902 4.251 6.101 0.101 20 0 "[ . 1 . 2]" 1
371 1 32 LYS HB3 1 45 ILE MD 1.800 . 6.000 4.858 3.098 6.005 0.005 17 0 "[ . 1 . 2]" 1
372 1 32 LYS QE 1 32 LYS HG2 1.800 . 5.000 2.559 2.330 3.340 . 0 0 "[ . 1 . 2]" 1
373 1 32 LYS QE 1 32 LYS HG3 1.800 . 5.000 2.386 2.246 2.900 . 0 0 "[ . 1 . 2]" 1
374 1 32 LYS QG 2 5 GLN QB 1.800 . 6.000 5.711 2.465 6.245 0.245 19 0 "[ . 1 . 2]" 1
375 1 32 LYS QG 2 5 GLN QG 1.800 . 6.000 5.260 2.246 6.168 0.168 10 0 "[ . 1 . 2]" 1
376 1 33 GLN H 1 33 GLN HA 1.800 . 2.900 2.957 2.936 2.987 0.087 9 0 "[ . 1 . 2]" 1
377 1 33 GLN H 1 33 GLN QG 1.800 . 6.000 3.276 2.390 4.109 . 0 0 "[ . 1 . 2]" 1
378 1 33 GLN H 1 34 LEU QD 1.800 . 6.000 5.347 3.932 6.069 0.069 1 0 "[ . 1 . 2]" 1
379 1 33 GLN H 1 55 VAL QG 1.800 . 6.000 5.168 3.449 6.017 0.017 6 0 "[ . 1 . 2]" 1
380 1 33 GLN HA 2 3 THR MG 1.800 . 6.000 5.602 4.757 6.053 0.053 18 0 "[ . 1 . 2]" 1
381 1 33 GLN QB 1 43 PHE H 1.800 . 6.000 5.191 3.709 6.104 0.104 1 0 "[ . 1 . 2]" 1
382 1 33 GLN QG 2 5 GLN QG 1.800 . 6.000 4.810 3.664 6.052 0.052 9 0 "[ . 1 . 2]" 1
383 1 34 LEU H 1 34 LEU HA 1.800 . 2.900 2.980 2.952 2.992 0.092 16 0 "[ . 1 . 2]" 1
384 1 34 LEU H 1 34 LEU QB 1.800 . 6.000 2.570 2.374 3.061 . 0 0 "[ . 1 . 2]" 1
385 1 34 LEU H 1 43 PHE H 1.800 . 6.000 3.285 3.024 3.858 . 0 0 "[ . 1 . 2]" 1
386 1 34 LEU HA 1 34 LEU MD1 1.800 . 6.000 2.930 2.050 4.085 . 0 0 "[ . 1 . 2]" 1
387 1 34 LEU HA 1 34 LEU MD2 1.800 . 6.000 3.500 2.149 3.853 . 0 0 "[ . 1 . 2]" 1
388 1 34 LEU HA 1 35 MET H 1.800 . 3.500 2.224 2.173 2.363 . 0 0 "[ . 1 . 2]" 1
389 1 34 LEU HA 2 1 ALA MB 1.800 . 6.000 5.926 5.355 6.077 0.077 17 0 "[ . 1 . 2]" 1
390 1 34 LEU HA 2 3 THR HA 1.800 . 6.000 3.331 2.389 4.906 . 0 0 "[ . 1 . 2]" 1
391 1 34 LEU HA 2 6 THR MG 1.800 . 6.000 6.118 6.019 6.238 0.238 7 0 "[ . 1 . 2]" 1
392 1 34 LEU QB 1 43 PHE QD 1.800 . 6.000 2.883 2.233 3.984 . 0 0 "[ . 1 . 2]" 1
393 1 34 LEU HB2 1 34 LEU MD2 1.800 . 3.500 2.727 2.287 3.194 . 0 0 "[ . 1 . 2]" 1
394 1 34 LEU HB3 1 34 LEU MD1 1.800 . 3.500 2.921 2.202 3.198 . 0 0 "[ . 1 . 2]" 1
395 1 34 LEU QD 1 55 VAL HA 1.800 . 6.000 2.823 2.023 3.660 . 0 0 "[ . 1 . 2]" 1
396 1 34 LEU QD 1 61 TRP HE1 1.800 . 5.000 2.878 1.738 4.980 0.062 6 0 "[ . 1 . 2]" 1
397 1 34 LEU QD 1 61 TRP HE3 1.800 . 6.000 5.120 2.095 6.049 0.049 6 0 "[ . 1 . 2]" 1
398 1 34 LEU QD 1 61 TRP HH2 1.800 . 5.000 4.401 3.269 5.133 0.133 16 0 "[ . 1 . 2]" 1
399 1 34 LEU MD1 1 55 VAL MG1 1.800 . 6.000 3.086 1.984 4.885 . 0 0 "[ . 1 . 2]" 1
400 1 34 LEU MD1 1 55 VAL MG2 1.800 . 6.000 4.131 2.663 5.414 . 0 0 "[ . 1 . 2]" 1
401 1 34 LEU MD1 1 56 PRO QB 1.800 . 6.000 4.377 3.375 5.384 . 0 0 "[ . 1 . 2]" 1
402 1 34 LEU MD1 1 56 PRO HD2 1.800 . 6.000 2.633 2.011 4.371 . 0 0 "[ . 1 . 2]" 1
403 1 34 LEU MD1 1 56 PRO HD3 1.800 . 6.000 3.838 2.123 5.843 . 0 0 "[ . 1 . 2]" 1
404 1 34 LEU MD1 1 56 PRO HG3 1.800 . 6.000 4.143 2.339 5.943 . 0 0 "[ . 1 . 2]" 1
405 1 34 LEU MD2 1 55 VAL MG1 1.800 . 6.000 3.013 1.959 5.038 . 0 0 "[ . 1 . 2]" 1
406 1 34 LEU MD2 1 55 VAL MG2 1.800 . 6.000 4.097 2.129 5.819 . 0 0 "[ . 1 . 2]" 1
407 1 34 LEU MD2 1 56 PRO QB 1.800 . 6.000 4.206 3.375 5.188 . 0 0 "[ . 1 . 2]" 1
408 1 34 LEU MD2 1 56 PRO HD2 1.800 . 6.000 2.168 2.004 2.603 . 0 0 "[ . 1 . 2]" 1
409 1 34 LEU MD2 1 56 PRO HD3 1.800 . 6.000 3.290 2.677 3.962 . 0 0 "[ . 1 . 2]" 1
410 1 34 LEU MD2 1 56 PRO HG2 1.800 . 6.000 2.861 1.997 4.060 . 0 0 "[ . 1 . 2]" 1
411 1 34 LEU HG 1 43 PHE QD 1.800 . 6.000 3.253 2.275 5.509 . 0 0 "[ . 1 . 2]" 1
412 1 35 MET H 1 35 MET HB2 1.800 . 3.500 2.862 2.454 3.232 . 0 0 "[ . 1 . 2]" 1
413 1 35 MET H 1 35 MET HB3 1.800 . 3.500 3.067 2.588 3.759 0.259 5 0 "[ . 1 . 2]" 1
414 1 35 MET H 1 35 MET HG2 1.800 . 6.000 4.267 2.952 4.874 . 0 0 "[ . 1 . 2]" 1
415 1 35 MET H 1 35 MET HG3 1.800 . 6.000 4.167 2.909 4.791 . 0 0 "[ . 1 . 2]" 1
416 1 35 MET H 1 36 CYS H 1.800 . 6.000 4.488 4.428 4.548 . 0 0 "[ . 1 . 2]" 1
417 1 35 MET H 1 36 CYS QB 1.800 . 6.000 5.650 5.458 5.793 . 0 0 "[ . 1 . 2]" 1
418 1 35 MET HA 1 35 MET ME 1.800 . 6.000 3.763 3.013 4.353 . 0 0 "[ . 1 . 2]" 1
419 1 35 MET HA 1 35 MET HG2 1.800 . 3.500 2.796 2.287 3.569 0.069 14 0 "[ . 1 . 2]" 1
420 1 35 MET HA 1 35 MET HG3 1.800 . 3.500 2.699 2.291 3.646 0.146 8 0 "[ . 1 . 2]" 1
421 1 35 MET HA 1 36 CYS H 1.800 . 2.900 2.286 2.248 2.330 . 0 0 "[ . 1 . 2]" 1
422 1 35 MET HA 1 42 ALA HA 1.800 . 2.900 2.180 2.103 2.290 . 0 0 "[ . 1 . 2]" 1
423 1 35 MET HA 1 42 ALA MB 1.800 . 6.000 2.844 2.244 3.521 . 0 0 "[ . 1 . 2]" 1
424 1 35 MET HA 1 43 PHE H 1.800 . 6.000 4.070 3.775 4.185 . 0 0 "[ . 1 . 2]" 1
425 1 35 MET ME 1 35 MET QG 1.800 . 3.500 2.196 2.095 2.246 . 0 0 "[ . 1 . 2]" 1
426 1 35 MET ME 1 40 ASP HB3 1.800 . 6.000 3.616 2.641 4.730 . 0 0 "[ . 1 . 2]" 1
427 1 35 MET ME 1 42 ALA HA 1.800 . 6.000 4.317 3.300 5.445 . 0 0 "[ . 1 . 2]" 1
428 1 35 MET ME 1 42 ALA MB 1.800 . 6.000 3.245 2.744 4.389 . 0 0 "[ . 1 . 2]" 1
429 1 36 CYS H 1 36 CYS HB2 1.800 . 3.500 3.104 2.865 3.490 . 0 0 "[ . 1 . 2]" 1
430 1 36 CYS H 1 36 CYS HB3 1.800 . 3.500 2.311 2.191 2.512 . 0 0 "[ . 1 . 2]" 1
431 1 36 CYS H 1 41 MET H 1.800 . 6.000 3.876 3.674 4.123 . 0 0 "[ . 1 . 2]" 1
432 1 36 CYS H 1 42 ALA HA 1.800 . 3.500 3.412 3.137 3.602 0.102 20 0 "[ . 1 . 2]" 1
433 1 36 CYS HA 1 37 ASP H 1.800 . 2.900 2.197 2.171 2.218 . 0 0 "[ . 1 . 2]" 1
434 1 36 CYS HA 1 63 CYS H 1.800 . 6.000 4.840 3.710 5.857 . 0 0 "[ . 1 . 2]" 1
435 1 36 CYS QB 1 37 ASP H 1.800 . 6.000 3.799 3.550 3.884 . 0 0 "[ . 1 . 2]" 1
436 1 36 CYS QB 1 39 CYS H 1.800 . 6.000 2.968 2.550 3.778 . 0 0 "[ . 1 . 2]" 1
437 1 36 CYS QB 1 61 TRP HH2 1.800 . 6.000 5.944 5.181 6.094 0.094 16 0 "[ . 1 . 2]" 1
438 1 36 CYS QB 1 61 TRP HD1 1.800 . 6.000 5.876 5.263 6.217 0.217 1 0 "[ . 1 . 2]" 1
439 1 36 CYS HB2 1 37 ASP H 1.800 . 6.000 4.149 3.729 4.338 . 0 0 "[ . 1 . 2]" 1
440 1 36 CYS HB2 1 43 PHE QE 1.800 . 6.000 2.938 2.383 3.741 . 0 0 "[ . 1 . 2]" 1
441 1 36 CYS HB2 1 63 CYS H 1.800 . 6.000 3.083 2.316 3.914 . 0 0 "[ . 1 . 2]" 1
442 1 36 CYS HB3 1 37 ASP H 1.800 . 6.000 4.428 4.313 4.569 . 0 0 "[ . 1 . 2]" 1
443 1 36 CYS HB3 1 43 PHE QD 1.800 . 6.000 5.500 4.870 5.909 . 0 0 "[ . 1 . 2]" 1
444 1 36 CYS HB3 1 43 PHE QE 1.800 . 6.000 3.724 3.081 4.364 . 0 0 "[ . 1 . 2]" 1
445 1 36 CYS HB3 1 63 CYS H 1.800 . 6.000 4.067 3.126 4.702 . 0 0 "[ . 1 . 2]" 1
446 1 37 ASP H 1 37 ASP HB2 1.800 . 3.500 2.362 2.270 2.444 . 0 0 "[ . 1 . 2]" 1
447 1 37 ASP H 1 37 ASP HB3 1.800 . 3.500 2.781 2.674 2.921 . 0 0 "[ . 1 . 2]" 1
448 1 37 ASP H 1 38 GLU H 1.800 . 6.000 2.870 2.770 3.057 . 0 0 "[ . 1 . 2]" 1
449 1 37 ASP H 1 39 CYS H 1.800 . 6.000 4.261 4.147 4.520 . 0 0 "[ . 1 . 2]" 1
450 1 37 ASP HA 1 38 GLU H 1.800 . 3.500 3.548 3.536 3.559 0.059 16 0 "[ . 1 . 2]" 1
451 1 37 ASP QB 1 38 GLU H 1.800 . 3.500 2.544 2.486 2.651 . 0 0 "[ . 1 . 2]" 1
452 1 37 ASP QB 1 38 GLU HA 1.800 . 6.000 4.015 3.889 4.099 . 0 0 "[ . 1 . 2]" 1
453 1 37 ASP QB 1 62 TYR QE 1.800 . 6.000 3.193 2.149 4.731 . 0 0 "[ . 1 . 2]" 1
454 1 37 ASP QB 2 2 ARG QB 1.800 . 6.000 2.214 2.097 2.435 . 0 0 "[ . 1 . 2]" 1
455 1 38 GLU H 1 38 GLU HB2 1.800 . 3.500 2.473 2.325 2.540 . 0 0 "[ . 1 . 2]" 1
456 1 38 GLU H 1 38 GLU HB3 1.800 . 3.500 2.855 2.545 3.600 0.100 16 0 "[ . 1 . 2]" 1
457 1 38 GLU H 1 38 GLU HG2 1.800 . 5.000 4.067 2.188 4.681 . 0 0 "[ . 1 . 2]" 1
458 1 38 GLU H 1 38 GLU HG3 1.800 . 5.000 4.191 2.369 4.511 . 0 0 "[ . 1 . 2]" 1
459 1 38 GLU H 1 39 CYS H 1.800 . 6.000 2.662 2.580 2.826 . 0 0 "[ . 1 . 2]" 1
460 1 38 GLU H 1 62 TYR QD 1.800 . 6.000 3.104 2.204 4.766 . 0 0 "[ . 1 . 2]" 1
461 1 38 GLU HA 1 38 GLU QG 1.800 . 3.500 2.597 2.267 2.813 . 0 0 "[ . 1 . 2]" 1
462 1 38 GLU HA 1 39 CYS H 1.800 . 3.500 3.538 3.505 3.565 0.065 7 0 "[ . 1 . 2]" 1
463 1 38 GLU QB 1 39 CYS H 1.800 . 6.000 2.736 2.575 2.888 . 0 0 "[ . 1 . 2]" 1
464 1 38 GLU QB 2 2 ARG QB 1.800 . 6.000 6.162 6.058 6.276 0.276 18 0 "[ . 1 . 2]" 1
465 1 38 GLU HB2 1 62 TYR QE 1.800 . 6.000 4.258 3.255 5.494 . 0 0 "[ . 1 . 2]" 1
466 1 38 GLU HB3 1 62 TYR QD 1.800 . 6.000 3.839 3.018 4.903 . 0 0 "[ . 1 . 2]" 1
467 1 38 GLU HB3 1 62 TYR QE 1.800 . 6.000 5.376 4.530 6.064 0.064 16 0 "[ . 1 . 2]" 1
468 1 38 GLU QG 1 62 TYR QE 1.800 . 6.000 4.962 2.981 6.031 0.031 13 0 "[ . 1 . 2]" 1
469 1 38 GLU HG2 1 39 CYS H 1.800 . 6.000 4.502 3.893 5.061 . 0 0 "[ . 1 . 2]" 1
470 1 38 GLU HG2 1 62 TYR QD 1.800 . 6.000 4.618 2.282 5.983 . 0 0 "[ . 1 . 2]" 1
471 1 38 GLU HG3 1 39 CYS H 1.800 . 6.000 4.566 3.841 5.176 . 0 0 "[ . 1 . 2]" 1
472 1 38 GLU HG3 1 62 TYR QD 1.800 . 6.000 4.878 2.276 6.030 0.030 20 0 "[ . 1 . 2]" 1
473 1 40 ASP HA 1 41 MET H 1.800 . 2.900 3.017 2.959 3.065 0.165 2 0 "[ . 1 . 2]" 1
474 1 41 MET H 1 41 MET ME 1.800 . 6.000 4.152 3.427 4.980 . 0 0 "[ . 1 . 2]" 1
475 1 41 MET H 1 41 MET QG 1.800 . 5.000 2.775 2.458 4.029 . 0 0 "[ . 1 . 2]" 1
476 1 41 MET H 1 42 ALA H 1.800 . 6.000 4.580 4.531 4.622 . 0 0 "[ . 1 . 2]" 1
477 1 41 MET HA 1 41 MET ME 1.800 . 6.000 3.841 2.771 4.326 . 0 0 "[ . 1 . 2]" 1
478 1 41 MET HA 1 42 ALA H 1.800 . 2.900 2.343 2.220 2.425 . 0 0 "[ . 1 . 2]" 1
479 1 41 MET HA 1 42 ALA MB 1.800 . 6.000 3.904 3.825 3.948 . 0 0 "[ . 1 . 2]" 1
480 1 41 MET QB 1 42 ALA H 1.800 . 6.000 2.706 2.424 3.629 . 0 0 "[ . 1 . 2]" 1
481 1 41 MET HB2 1 41 MET ME 1.800 . 3.500 2.604 2.058 3.333 . 0 0 "[ . 1 . 2]" 1
482 1 41 MET HB2 1 43 PHE QE 1.800 . 6.000 5.682 5.230 6.049 0.049 1 0 "[ . 1 . 2]" 1
483 1 41 MET HB3 1 41 MET ME 1.800 . 3.500 2.492 2.048 2.893 . 0 0 "[ . 1 . 2]" 1
484 1 41 MET HB3 1 43 PHE QE 1.800 . 6.000 5.901 4.478 6.108 0.108 6 0 "[ . 1 . 2]" 1
485 1 41 MET ME 1 42 ALA H 1.800 . 6.000 4.337 2.692 5.141 . 0 0 "[ . 1 . 2]" 1
486 1 41 MET ME 1 43 PHE QE 1.800 . 6.000 5.720 5.192 6.059 0.059 7 0 "[ . 1 . 2]" 1
487 1 41 MET QG 1 42 ALA H 1.800 . 6.000 3.877 2.389 4.500 . 0 0 "[ . 1 . 2]" 1
488 1 41 MET QG 1 42 ALA HA 1.800 . 6.000 5.753 3.886 6.027 0.027 7 0 "[ . 1 . 2]" 1
489 1 42 ALA H 1 42 ALA MB 1.800 . 3.500 2.365 2.205 2.468 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA H 1 43 PHE H 1.800 . 6.000 4.443 4.391 4.508 . 0 0 "[ . 1 . 2]" 1
491 1 42 ALA HA 1 43 PHE H 1.800 . 3.500 2.638 2.603 2.686 . 0 0 "[ . 1 . 2]" 1
492 1 42 ALA HA 1 43 PHE HD1 1.800 . 6.000 4.636 2.497 6.087 0.087 19 0 "[ . 1 . 2]" 1
493 1 42 ALA HA 1 43 PHE QD 1.800 . 6.000 3.288 2.495 3.856 . 0 0 "[ . 1 . 2]" 1
494 1 42 ALA HA 1 43 PHE HD2 1.800 . 6.000 4.706 3.366 6.153 0.153 1 0 "[ . 1 . 2]" 1
495 1 42 ALA MB 1 43 PHE H 1.800 . 3.500 2.090 1.951 2.290 . 0 0 "[ . 1 . 2]" 1
496 1 43 PHE H 1 43 PHE HA 1.800 . 2.900 2.988 2.983 2.994 0.094 1 0 "[ . 1 . 2]" 1
497 1 43 PHE H 1 43 PHE QB 1.800 . 3.500 2.503 2.469 2.603 . 0 0 "[ . 1 . 2]" 1
498 1 43 PHE H 1 43 PHE QD 1.800 . 3.500 2.654 2.183 3.293 . 0 0 "[ . 1 . 2]" 1
499 1 43 PHE H 1 45 ILE H 1.800 . 6.000 4.404 4.096 4.628 . 0 0 "[ . 1 . 2]" 1
500 1 43 PHE HA 1 43 PHE QD 1.800 . 5.000 2.798 2.480 3.071 . 0 0 "[ . 1 . 2]" 1
501 1 43 PHE HA 1 44 HIS H 1.800 . 3.500 2.175 2.141 2.252 . 0 0 "[ . 1 . 2]" 1
502 1 43 PHE QB 1 48 LEU MD1 1.800 . 6.000 5.356 4.458 6.050 0.050 18 0 "[ . 1 . 2]" 1
503 1 43 PHE HB2 1 44 HIS H 1.800 . 5.000 4.176 3.920 4.300 . 0 0 "[ . 1 . 2]" 1
504 1 43 PHE HB3 1 44 HIS H 1.800 . 3.500 3.218 2.827 3.428 . 0 0 "[ . 1 . 2]" 1
505 1 43 PHE QD 1 48 LEU QD 1.800 . 6.000 5.715 4.978 6.078 0.078 12 0 "[ . 1 . 2]" 1
506 1 43 PHE QE 1 52 LEU QD 1.800 . 6.000 5.999 5.671 6.084 0.084 20 0 "[ . 1 . 2]" 1
507 1 43 PHE QE 1 56 PRO QG 1.800 . 6.000 5.097 4.375 6.028 0.028 16 0 "[ . 1 . 2]" 1
508 1 43 PHE QE 1 61 TRP HZ3 1.800 . 5.000 4.128 2.278 5.060 0.060 12 0 "[ . 1 . 2]" 1
509 1 43 PHE HZ 1 63 CYS QB 1.800 . 6.000 2.829 2.041 4.273 . 0 0 "[ . 1 . 2]" 1
510 1 44 HIS H 1 44 HIS HB2 1.800 . 3.500 2.096 2.057 2.188 . 0 0 "[ . 1 . 2]" 1
511 1 44 HIS H 1 44 HIS HB3 1.800 . 3.500 3.302 3.034 3.489 . 0 0 "[ . 1 . 2]" 1
512 1 44 HIS H 1 44 HIS HD1 1.800 . 6.000 5.155 4.499 5.369 . 0 0 "[ . 1 . 2]" 1
513 1 44 HIS H 1 45 ILE H 1.800 . 6.000 2.876 2.671 2.961 . 0 0 "[ . 1 . 2]" 1
514 1 44 HIS H 1 46 TYR H 1.800 . 6.000 5.095 4.783 5.300 . 0 0 "[ . 1 . 2]" 1
515 1 44 HIS H 1 47 CYS H 1.800 . 6.000 5.480 5.322 5.655 . 0 0 "[ . 1 . 2]" 1
516 1 44 HIS HA 1 45 ILE H 1.800 . 3.500 3.159 3.094 3.262 . 0 0 "[ . 1 . 2]" 1
517 1 44 HIS HA 1 46 TYR H 1.800 . 3.500 3.386 3.012 3.560 0.060 20 0 "[ . 1 . 2]" 1
518 1 44 HIS QB 1 44 HIS HD2 1.800 . 3.500 3.225 2.980 3.354 . 0 0 "[ . 1 . 2]" 1
519 1 44 HIS QB 1 45 ILE H 1.800 . 3.500 3.584 3.436 3.644 0.144 10 0 "[ . 1 . 2]" 1
520 1 44 HIS QB 1 46 TYR H 1.800 . 6.000 4.541 4.155 4.797 . 0 0 "[ . 1 . 2]" 1
521 1 44 HIS QB 1 46 TYR QD 1.800 . 6.000 5.914 5.178 6.145 0.145 7 0 "[ . 1 . 2]" 1
522 1 44 HIS QB 1 47 CYS H 1.800 . 6.000 3.703 3.120 4.234 . 0 0 "[ . 1 . 2]" 1
523 1 44 HIS QB 1 47 CYS QB 1.800 . 6.000 2.859 2.254 3.617 . 0 0 "[ . 1 . 2]" 1
524 1 44 HIS HD1 1 48 LEU QD 1.800 . 6.000 3.045 2.288 4.263 . 0 0 "[ . 1 . 2]" 1
525 1 44 HIS HD1 1 48 LEU QB 1.800 . 6.000 4.166 3.163 5.504 . 0 0 "[ . 1 . 2]" 1
526 1 44 HIS HE1 1 47 CYS QB 1.800 . 6.000 3.231 2.453 4.671 . 0 0 "[ . 1 . 2]" 1
527 1 45 ILE H 1 45 ILE HB 1.800 . 3.500 2.728 2.351 3.622 0.122 19 0 "[ . 1 . 2]" 1
528 1 45 ILE H 1 45 ILE MD 1.800 . 6.000 4.161 3.605 4.351 . 0 0 "[ . 1 . 2]" 1
529 1 45 ILE H 1 45 ILE HG12 1.800 . 6.000 4.307 3.165 4.697 . 0 0 "[ . 1 . 2]" 1
530 1 45 ILE H 1 45 ILE HG13 1.800 . 6.000 3.939 2.196 4.716 . 0 0 "[ . 1 . 2]" 1
531 1 45 ILE H 1 45 ILE MG 1.800 . 6.000 2.207 1.765 2.510 0.035 6 0 "[ . 1 . 2]" 1
532 1 45 ILE H 1 46 TYR H 1.800 . 3.500 2.880 2.752 3.004 . 0 0 "[ . 1 . 2]" 1
533 1 45 ILE H 1 47 CYS H 1.800 . 6.000 4.361 4.150 4.562 . 0 0 "[ . 1 . 2]" 1
534 1 45 ILE HA 1 45 ILE MD 1.800 . 6.000 3.569 2.140 3.843 . 0 0 "[ . 1 . 2]" 1
535 1 45 ILE HA 1 46 TYR H 1.800 . 3.500 3.521 3.405 3.555 0.055 5 0 "[ . 1 . 2]" 1
536 1 45 ILE HA 1 46 TYR QB 1.800 . 6.000 5.260 5.153 5.551 . 0 0 "[ . 1 . 2]" 1
537 1 45 ILE HA 1 47 CYS H 1.800 . 6.000 4.601 4.308 5.010 . 0 0 "[ . 1 . 2]" 1
538 1 45 ILE HA 1 48 LEU QB 1.800 . 3.500 3.138 2.269 3.591 0.091 8 0 "[ . 1 . 2]" 1
539 1 45 ILE HA 1 48 LEU QD 1.800 . 6.000 3.928 3.008 4.485 . 0 0 "[ . 1 . 2]" 1
540 1 45 ILE HA 1 49 ASP H 1.800 . 5.000 3.250 2.850 3.584 . 0 0 "[ . 1 . 2]" 1
541 1 45 ILE HA 1 50 PRO QG 1.800 . 6.000 2.497 2.116 2.868 . 0 0 "[ . 1 . 2]" 1
542 1 45 ILE HB 1 45 ILE MD 1.800 . 3.500 2.347 2.140 3.111 . 0 0 "[ . 1 . 2]" 1
543 1 45 ILE HB 1 46 TYR H 1.800 . 6.000 3.936 3.750 4.209 . 0 0 "[ . 1 . 2]" 1
544 1 45 ILE HB 1 52 LEU QB 1.800 . 6.000 4.306 2.833 5.188 . 0 0 "[ . 1 . 2]" 1
545 1 45 ILE HB 1 54 SER H 1.800 . 6.000 5.844 4.990 6.111 0.111 18 0 "[ . 1 . 2]" 1
546 1 45 ILE MD 1 45 ILE QG 1.800 . 3.500 1.900 1.877 1.915 . 0 0 "[ . 1 . 2]" 1
547 1 45 ILE MD 1 46 TYR QE 1.800 . 6.000 5.378 2.489 6.083 0.083 15 0 "[ . 1 . 2]" 1
548 1 45 ILE MD 1 46 TYR H 1.800 . 6.000 3.902 2.539 4.725 . 0 0 "[ . 1 . 2]" 1
549 1 45 ILE MD 1 46 TYR QB 1.800 . 6.000 4.285 2.310 5.260 . 0 0 "[ . 1 . 2]" 1
550 1 45 ILE MD 1 46 TYR QD 1.800 . 6.000 5.110 3.251 6.027 0.027 8 0 "[ . 1 . 2]" 1
551 1 45 ILE MD 1 48 LEU QD 1.800 . 6.000 5.914 5.179 6.157 0.157 9 0 "[ . 1 . 2]" 1
552 1 45 ILE MD 1 53 SER HA 1.800 . 6.000 3.209 2.043 5.950 . 0 0 "[ . 1 . 2]" 1
553 1 45 ILE MD 1 54 SER H 1.800 . 6.000 3.063 2.214 4.791 . 0 0 "[ . 1 . 2]" 1
554 1 45 ILE MD 1 54 SER HA 1.800 . 6.000 4.461 2.562 5.560 . 0 0 "[ . 1 . 2]" 1
555 1 45 ILE MD 1 54 SER QB 1.800 . 6.000 4.638 3.801 5.690 . 0 0 "[ . 1 . 2]" 1
556 1 45 ILE MD 1 55 VAL H 1.800 . 6.000 4.952 3.795 6.036 0.036 15 0 "[ . 1 . 2]" 1
557 1 45 ILE MD 1 55 VAL HA 1.800 . 6.000 3.771 2.994 4.996 . 0 0 "[ . 1 . 2]" 1
558 1 45 ILE MD 1 55 VAL QG 1.800 . 6.000 3.419 2.142 5.077 . 0 0 "[ . 1 . 2]" 1
559 1 45 ILE QG 1 45 ILE MG 1.800 . 3.500 2.215 1.923 2.561 . 0 0 "[ . 1 . 2]" 1
560 1 45 ILE QG 1 54 SER QB 1.800 . 6.000 5.922 5.448 6.193 0.193 6 0 "[ . 1 . 2]" 1
561 1 45 ILE MG 1 46 TYR H 1.800 . 6.000 2.365 1.780 3.988 0.020 9 0 "[ . 1 . 2]" 1
562 1 45 ILE MG 1 46 TYR QD 1.800 . 6.000 4.481 2.124 6.156 0.156 6 0 "[ . 1 . 2]" 1
563 1 45 ILE MG 1 48 LEU QD 1.800 . 6.000 5.152 3.474 5.753 . 0 0 "[ . 1 . 2]" 1
564 1 46 TYR H 1 46 TYR HB3 1.800 . 3.500 2.548 2.083 3.631 0.131 2 0 "[ . 1 . 2]" 1
565 1 46 TYR H 1 47 CYS H 1.800 . 2.900 2.524 2.248 2.687 . 0 0 "[ . 1 . 2]" 1
566 1 46 TYR H 1 48 LEU H 1.800 . 6.000 4.214 3.967 4.434 . 0 0 "[ . 1 . 2]" 1
567 1 46 TYR HA 1 46 TYR QD 1.800 . 3.500 2.898 2.600 3.646 0.146 1 0 "[ . 1 . 2]" 1
568 1 46 TYR HA 1 47 CYS H 1.800 . 3.500 3.549 3.520 3.572 0.072 8 0 "[ . 1 . 2]" 1
569 1 46 TYR HA 1 48 LEU H 1.800 . 6.000 5.017 4.726 5.218 . 0 0 "[ . 1 . 2]" 1
570 1 46 TYR HB2 1 46 TYR QD 1.800 . 3.500 2.456 2.349 2.619 . 0 0 "[ . 1 . 2]" 1
571 1 46 TYR HB3 1 46 TYR QD 1.800 . 3.500 2.377 2.295 2.502 . 0 0 "[ . 1 . 2]" 1
572 1 46 TYR QD 1 47 CYS HA 1.800 . 6.000 3.482 2.769 5.896 . 0 0 "[ . 1 . 2]" 1
573 1 47 CYS H 1 47 CYS HB2 1.800 . 3.500 2.731 2.257 3.098 . 0 0 "[ . 1 . 2]" 1
574 1 47 CYS H 1 47 CYS HB3 1.800 . 3.500 3.559 3.469 3.618 0.118 20 0 "[ . 1 . 2]" 1
575 1 47 CYS H 1 48 LEU H 1.800 . 2.900 2.647 2.496 2.834 . 0 0 "[ . 1 . 2]" 1
576 1 47 CYS H 1 48 LEU HB2 1.800 . 6.000 4.712 4.569 5.199 . 0 0 "[ . 1 . 2]" 1
577 1 47 CYS H 1 48 LEU HB3 1.800 . 6.000 5.870 5.039 6.132 0.132 8 0 "[ . 1 . 2]" 1
578 1 47 CYS H 1 48 LEU QD 1.800 . 6.000 4.997 4.529 5.688 . 0 0 "[ . 1 . 2]" 1
579 1 47 CYS HA 1 48 LEU H 1.800 . 3.500 3.571 3.553 3.586 0.086 18 0 "[ . 1 . 2]" 1
580 1 47 CYS QB 1 48 LEU H 1.800 . 6.000 2.327 2.214 2.477 . 0 0 "[ . 1 . 2]" 1
581 1 47 CYS HB2 1 48 LEU H 1.800 . 6.000 2.361 2.243 2.549 . 0 0 "[ . 1 . 2]" 1
582 1 47 CYS HB2 1 48 LEU QD 1.800 . 6.000 4.052 3.377 5.015 . 0 0 "[ . 1 . 2]" 1
583 1 47 CYS HB3 1 48 LEU H 1.800 . 6.000 3.612 3.209 3.884 . 0 0 "[ . 1 . 2]" 1
584 1 47 CYS HB3 1 48 LEU QD 1.800 . 6.000 4.819 3.637 6.017 0.017 10 0 "[ . 1 . 2]" 1
585 1 48 LEU H 1 48 LEU HB2 1.800 . 3.500 2.366 2.234 2.492 . 0 0 "[ . 1 . 2]" 1
586 1 48 LEU H 1 48 LEU HB3 1.800 . 3.500 3.386 2.633 3.587 0.087 15 0 "[ . 1 . 2]" 1
587 1 48 LEU H 1 48 LEU MD1 1.800 . 6.000 3.613 3.265 4.275 . 0 0 "[ . 1 . 2]" 1
588 1 48 LEU H 1 48 LEU MD2 1.800 . 6.000 3.787 3.215 4.247 . 0 0 "[ . 1 . 2]" 1
589 1 48 LEU H 1 49 ASP H 1.800 . 3.500 2.588 2.553 2.628 . 0 0 "[ . 1 . 2]" 1
590 1 48 LEU HA 1 48 LEU QD 1.800 . 3.500 2.306 2.053 3.000 . 0 0 "[ . 1 . 2]" 1
591 1 48 LEU HA 1 49 ASP H 1.800 . 3.500 3.524 3.513 3.530 0.030 15 0 "[ . 1 . 2]" 1
592 1 48 LEU HB2 1 48 LEU MD2 1.800 . 3.500 3.170 3.110 3.188 . 0 0 "[ . 1 . 2]" 1
593 1 48 LEU HB2 1 49 ASP H 1.800 . 5.000 2.945 2.554 3.883 . 0 0 "[ . 1 . 2]" 1
594 1 48 LEU HB3 1 48 LEU MD1 1.800 . 3.500 2.517 2.298 2.697 . 0 0 "[ . 1 . 2]" 1
595 1 48 LEU HB3 1 49 ASP H 1.800 . 3.500 3.404 2.710 3.651 0.151 16 0 "[ . 1 . 2]" 1
596 1 48 LEU QD 1 49 ASP H 1.800 . 6.000 3.935 3.159 4.176 . 0 0 "[ . 1 . 2]" 1
597 1 49 ASP H 1 49 ASP HA 1.800 . 2.900 2.347 2.343 2.352 . 0 0 "[ . 1 . 2]" 1
598 1 49 ASP H 1 50 PRO HA 1.800 . 6.000 5.201 5.129 5.259 . 0 0 "[ . 1 . 2]" 1
599 1 49 ASP H 1 50 PRO QB 1.800 . 6.000 4.876 4.713 4.999 . 0 0 "[ . 1 . 2]" 1
600 1 49 ASP HA 1 50 PRO HA 1.800 . 6.000 4.697 4.640 4.763 . 0 0 "[ . 1 . 2]" 1
601 1 49 ASP HA 1 50 PRO QB 1.800 . 6.000 4.969 4.913 5.027 . 0 0 "[ . 1 . 2]" 1
602 1 49 ASP HA 1 50 PRO QD 1.800 . 6.000 2.313 2.255 2.441 . 0 0 "[ . 1 . 2]" 1
603 1 49 ASP QB 1 50 PRO HA 1.800 . 6.000 4.573 4.430 4.735 . 0 0 "[ . 1 . 2]" 1
604 1 50 PRO HA 1 50 PRO QD 1.800 . 3.500 3.463 3.369 3.532 0.032 12 0 "[ . 1 . 2]" 1
605 1 50 PRO HA 1 50 PRO QG 1.800 . 3.500 3.516 3.504 3.527 0.027 12 0 "[ . 1 . 2]" 1
606 1 51 PRO HA 1 52 LEU H 1.800 . 6.000 3.467 3.369 3.514 . 0 0 "[ . 1 . 2]" 1
607 1 51 PRO HA 1 52 LEU QB 1.800 . 6.000 5.417 5.331 5.507 . 0 0 "[ . 1 . 2]" 1
608 1 51 PRO HA 1 52 LEU QD 1.800 . 6.000 4.886 4.583 5.180 . 0 0 "[ . 1 . 2]" 1
609 1 51 PRO HA 1 52 LEU HG 1.800 . 6.000 5.291 5.100 5.489 . 0 0 "[ . 1 . 2]" 1
610 1 51 PRO HB2 1 51 PRO QD 1.800 . 3.500 3.207 3.041 3.542 0.042 17 0 "[ . 1 . 2]" 1
611 1 51 PRO HB3 1 51 PRO QD 1.800 . 3.500 3.383 2.973 3.551 0.051 19 0 "[ . 1 . 2]" 1
612 1 51 PRO QD 1 52 LEU QD 1.800 . 6.000 4.145 3.939 4.456 . 0 0 "[ . 1 . 2]" 1
613 1 52 LEU H 1 52 LEU HA 1.800 . 2.900 2.877 2.810 2.961 0.061 4 0 "[ . 1 . 2]" 1
614 1 52 LEU H 1 52 LEU QB 1.800 . 3.500 2.537 2.494 2.575 . 0 0 "[ . 1 . 2]" 1
615 1 52 LEU H 1 52 LEU MD1 1.800 . 6.000 3.645 3.564 3.754 . 0 0 "[ . 1 . 2]" 1
616 1 52 LEU H 1 52 LEU MD2 1.800 . 6.000 3.061 2.915 3.265 . 0 0 "[ . 1 . 2]" 1
617 1 52 LEU H 1 52 LEU HG 1.800 . 5.000 2.098 1.941 2.320 . 0 0 "[ . 1 . 2]" 1
618 1 52 LEU HA 1 52 LEU MD1 1.800 . 5.000 3.790 3.780 3.817 . 0 0 "[ . 1 . 2]" 1
619 1 52 LEU HA 1 52 LEU MD2 1.800 . 5.000 2.054 2.045 2.093 . 0 0 "[ . 1 . 2]" 1
620 1 52 LEU QB 1 53 SER H 1.800 . 6.000 2.790 2.274 3.717 . 0 0 "[ . 1 . 2]" 1
621 1 52 LEU HB2 1 52 LEU MD2 1.800 . 3.500 3.191 3.189 3.192 . 0 0 "[ . 1 . 2]" 1
622 1 52 LEU HB2 1 54 SER H 1.800 . 6.000 3.704 2.996 5.074 . 0 0 "[ . 1 . 2]" 1
623 1 52 LEU HB3 1 52 LEU QD 1.800 . 3.500 2.049 2.018 2.091 . 0 0 "[ . 1 . 2]" 1
624 1 52 LEU HB3 1 54 SER H 1.800 . 6.000 3.302 2.764 4.684 . 0 0 "[ . 1 . 2]" 1
625 1 52 LEU QD 1 53 SER H 1.800 . 6.000 3.880 3.363 4.254 . 0 0 "[ . 1 . 2]" 1
626 1 52 LEU QD 1 54 SER H 1.800 . 6.000 4.172 3.939 4.580 . 0 0 "[ . 1 . 2]" 1
627 1 52 LEU QD 1 56 PRO QB 1.800 . 6.000 5.075 3.956 6.010 0.010 1 0 "[ . 1 . 2]" 1
628 1 52 LEU QD 1 56 PRO QD 1.800 . 5.000 4.548 3.917 5.073 0.073 1 0 "[ . 1 . 2]" 1
629 1 52 LEU QD 1 56 PRO QG 1.800 . 6.000 4.448 3.597 5.368 . 0 0 "[ . 1 . 2]" 1
630 1 52 LEU QD 1 61 TRP HH2 1.800 . 5.000 4.762 4.387 5.063 0.063 2 0 "[ . 1 . 2]" 1
631 1 52 LEU QD 1 61 TRP HZ2 1.800 . 6.000 5.407 3.899 6.083 0.083 13 0 "[ . 1 . 2]" 1
632 1 53 SER H 1 53 SER QB 1.800 . 3.500 2.752 2.270 3.178 . 0 0 "[ . 1 . 2]" 1
633 1 53 SER H 1 54 SER H 1.800 . 3.500 2.890 2.305 3.508 0.008 16 0 "[ . 1 . 2]" 1
634 1 53 SER HA 1 54 SER H 1.800 . 3.500 3.000 2.697 3.508 0.008 12 0 "[ . 1 . 2]" 1
635 1 53 SER QB 1 54 SER H 1.800 . 6.000 3.801 2.760 4.069 . 0 0 "[ . 1 . 2]" 1
636 1 54 SER H 1 54 SER HA 1.800 . 2.900 2.921 2.344 2.990 0.090 1 0 "[ . 1 . 2]" 1
637 1 54 SER H 1 55 VAL H 1.800 . 6.000 4.485 4.401 4.694 . 0 0 "[ . 1 . 2]" 1
638 1 54 SER HA 1 55 VAL H 1.800 . 3.500 2.384 2.261 3.296 . 0 0 "[ . 1 . 2]" 1
639 1 54 SER HA 1 55 VAL MG1 1.800 . 6.000 4.657 3.671 5.494 . 0 0 "[ . 1 . 2]" 1
640 1 54 SER HA 1 55 VAL MG2 1.800 . 6.000 3.667 3.178 5.513 . 0 0 "[ . 1 . 2]" 1
641 1 54 SER QB 1 55 VAL HB 1.800 . 6.000 5.494 4.922 6.077 0.077 8 0 "[ . 1 . 2]" 1
642 1 54 SER HB2 1 55 VAL H 1.800 . 6.000 3.700 2.573 4.124 . 0 0 "[ . 1 . 2]" 1
643 1 54 SER HB2 1 55 VAL QG 1.800 . 6.000 4.791 3.756 5.576 . 0 0 "[ . 1 . 2]" 1
644 1 54 SER HB3 1 55 VAL H 1.800 . 6.000 3.262 1.837 3.981 . 0 0 "[ . 1 . 2]" 1
645 1 54 SER HB3 1 55 VAL QG 1.800 . 6.000 4.399 3.025 5.233 . 0 0 "[ . 1 . 2]" 1
646 1 55 VAL H 1 55 VAL HA 1.800 . 2.900 2.965 2.907 2.985 0.085 10 0 "[ . 1 . 2]" 1
647 1 55 VAL H 1 55 VAL MG1 1.800 . 5.000 3.280 1.787 3.862 0.013 6 0 "[ . 1 . 2]" 1
648 1 55 VAL H 1 55 VAL MG2 1.800 . 5.000 2.263 1.771 3.722 0.029 20 0 "[ . 1 . 2]" 1
649 1 55 VAL H 1 56 PRO QD 1.800 . 6.000 4.108 3.987 4.252 . 0 0 "[ . 1 . 2]" 1
650 1 55 VAL HA 1 55 VAL QG 1.800 . 2.900 2.140 2.026 2.362 . 0 0 "[ . 1 . 2]" 1
651 1 55 VAL HA 1 56 PRO QD 1.800 . 3.500 2.038 2.032 2.051 . 0 0 "[ . 1 . 2]" 1
652 1 55 VAL HA 1 56 PRO QG 1.800 . 5.000 3.964 3.959 3.984 . 0 0 "[ . 1 . 2]" 1
653 1 55 VAL QG 1 56 PRO HD2 1.800 . 6.000 2.995 2.426 3.833 . 0 0 "[ . 1 . 2]" 1
654 1 55 VAL QG 1 56 PRO HD3 1.800 . 6.000 3.657 3.441 3.903 . 0 0 "[ . 1 . 2]" 1
655 1 55 VAL QG 1 57 SER H 1.800 . 5.000 2.738 1.830 3.931 . 0 0 "[ . 1 . 2]" 1
656 1 55 VAL QG 1 57 SER QB 1.800 . 6.000 3.079 2.103 4.016 . 0 0 "[ . 1 . 2]" 1
657 1 55 VAL MG1 1 56 PRO QD 1.800 . 6.000 3.018 2.410 4.135 . 0 0 "[ . 1 . 2]" 1
658 1 55 VAL MG2 1 56 PRO QD 1.800 . 6.000 3.831 2.562 4.201 . 0 0 "[ . 1 . 2]" 1
659 1 56 PRO HA 1 56 PRO QG 1.800 . 3.500 3.489 2.963 3.523 0.023 16 0 "[ . 1 . 2]" 1
660 1 56 PRO HA 1 57 SER H 1.800 . 3.500 3.309 2.695 3.506 0.006 4 0 "[ . 1 . 2]" 1
661 1 56 PRO HB2 1 57 SER H 1.800 . 5.000 3.857 1.992 4.377 . 0 0 "[ . 1 . 2]" 1
662 1 56 PRO HB3 1 57 SER H 1.800 . 5.000 4.459 3.410 4.699 . 0 0 "[ . 1 . 2]" 1
663 1 56 PRO QG 1 61 TRP HE1 1.800 . 6.000 2.664 1.853 3.965 . 0 0 "[ . 1 . 2]" 1
664 1 56 PRO QG 1 61 TRP HZ2 1.800 . 6.000 3.213 2.668 4.108 . 0 0 "[ . 1 . 2]" 1
665 1 57 SER H 1 57 SER HA 1.800 . 2.900 2.824 2.352 2.909 0.009 16 0 "[ . 1 . 2]" 1
666 1 57 SER H 1 57 SER HB2 1.800 . 3.500 3.588 3.532 3.615 0.115 7 0 "[ . 1 . 2]" 1
667 1 57 SER H 1 57 SER HB3 1.800 . 3.500 2.429 2.250 3.037 . 0 0 "[ . 1 . 2]" 1
668 1 57 SER QB 2 2 ARG QG 1.800 . 6.000 6.084 6.011 6.208 0.208 13 0 "[ . 1 . 2]" 1
669 1 58 GLU H 1 58 GLU QB 1.800 . 3.500 2.401 2.264 2.488 . 0 0 "[ . 1 . 2]" 1
670 1 58 GLU QB 1 59 ASP H 1.800 . 5.000 2.731 2.641 2.776 . 0 0 "[ . 1 . 2]" 1
671 1 59 ASP H 1 59 ASP HA 1.800 . 2.900 2.979 2.966 2.989 0.089 18 0 "[ . 1 . 2]" 1
672 1 59 ASP H 1 60 GLU H 1.800 . 5.000 4.466 4.430 4.509 . 0 0 "[ . 1 . 2]" 1
673 1 59 ASP H 1 61 TRP HA 1.800 . 6.000 6.084 6.017 6.170 0.170 15 0 "[ . 1 . 2]" 1
674 1 59 ASP HA 1 60 GLU H 1.800 . 3.500 2.513 2.484 2.589 . 0 0 "[ . 1 . 2]" 1
675 1 59 ASP HB2 1 60 GLU H 1.800 . 3.500 2.896 2.255 3.536 0.036 10 0 "[ . 1 . 2]" 1
676 1 60 GLU H 1 60 GLU QB 1.800 . 3.500 2.474 2.429 2.507 . 0 0 "[ . 1 . 2]" 1
677 1 60 GLU H 1 60 GLU QG 1.800 . 6.000 2.138 2.008 2.974 . 0 0 "[ . 1 . 2]" 1
678 1 60 GLU H 1 61 TRP H 1.800 . 6.000 4.256 3.313 4.670 . 0 0 "[ . 1 . 2]" 1
679 1 60 GLU HA 1 61 TRP H 1.800 . 3.500 2.327 2.214 2.801 . 0 0 "[ . 1 . 2]" 1
680 1 60 GLU HA 1 62 TYR QD 1.800 . 6.000 5.506 5.045 5.938 . 0 0 "[ . 1 . 2]" 1
681 1 60 GLU QB 1 61 TRP H 1.800 . 5.000 3.551 2.953 3.903 . 0 0 "[ . 1 . 2]" 1
682 1 60 GLU QB 1 61 TRP HA 1.800 . 5.000 4.258 4.174 4.374 . 0 0 "[ . 1 . 2]" 1
683 1 60 GLU QB 1 61 TRP HD1 1.800 . 6.000 5.971 5.698 6.061 0.061 5 0 "[ . 1 . 2]" 1
684 1 60 GLU QB 1 62 TYR H 1.800 . 6.000 5.393 4.892 5.677 . 0 0 "[ . 1 . 2]" 1
685 1 60 GLU QB 1 62 TYR QD 1.800 . 6.000 4.327 3.634 4.792 . 0 0 "[ . 1 . 2]" 1
686 1 60 GLU QG 1 61 TRP H 1.800 . 5.000 4.392 4.048 4.819 . 0 0 "[ . 1 . 2]" 1
687 1 61 TRP H 1 61 TRP QB 1.800 . 3.500 2.482 2.176 2.624 . 0 0 "[ . 1 . 2]" 1
688 1 61 TRP H 1 61 TRP HD1 1.800 . 5.000 3.194 2.381 4.983 . 0 0 "[ . 1 . 2]" 1
689 1 61 TRP H 1 62 TYR H 1.800 . 5.000 4.460 4.335 4.636 . 0 0 "[ . 1 . 2]" 1
690 1 61 TRP H 1 62 TYR HA 1.800 . 6.000 4.973 4.827 5.453 . 0 0 "[ . 1 . 2]" 1
691 1 61 TRP HA 1 61 TRP HD1 1.800 . 6.000 3.867 2.221 4.324 . 0 0 "[ . 1 . 2]" 1
692 1 61 TRP HA 1 61 TRP HE1 1.800 . 6.000 5.654 4.571 6.111 0.111 7 0 "[ . 1 . 2]" 1
693 1 61 TRP HA 1 62 TYR H 1.800 . 2.900 2.224 2.188 2.260 . 0 0 "[ . 1 . 2]" 1
694 1 61 TRP HA 1 62 TYR QD 1.800 . 6.000 3.878 3.510 4.521 . 0 0 "[ . 1 . 2]" 1
695 1 61 TRP HA 2 1 ALA MB 1.800 . 5.000 4.459 3.674 5.063 0.063 7 0 "[ . 1 . 2]" 1
696 1 61 TRP QB 2 1 ALA MB 1.800 . 5.000 3.357 1.946 4.436 . 0 0 "[ . 1 . 2]" 1
697 1 61 TRP HB2 1 62 TYR H 1.800 . 5.000 3.698 3.281 4.534 . 0 0 "[ . 1 . 2]" 1
698 1 61 TRP HB3 1 62 TYR H 1.800 . 5.000 4.230 3.779 4.442 . 0 0 "[ . 1 . 2]" 1
699 1 61 TRP HZ2 1 63 CYS HA 1.800 . 6.000 4.749 3.495 5.999 . 0 0 "[ . 1 . 2]" 1
700 1 61 TRP HZ2 1 64 PRO HD3 1.800 . 6.000 5.489 3.323 6.067 0.067 2 0 "[ . 1 . 2]" 1
701 1 61 TRP HZ2 1 67 ARG QH 1.800 . 6.000 5.409 3.331 6.041 0.041 6 0 "[ . 1 . 2]" 1
702 1 61 TRP HZ3 1 63 CYS HA 1.800 . 5.000 3.531 2.276 4.556 . 0 0 "[ . 1 . 2]" 1
703 1 61 TRP HZ3 1 63 CYS QB 1.800 . 6.000 4.973 3.236 6.019 0.019 20 0 "[ . 1 . 2]" 1
704 1 61 TRP HZ3 1 64 PRO HD3 1.800 . 5.000 3.437 2.847 5.070 0.070 1 0 "[ . 1 . 2]" 1
705 1 62 TYR H 1 62 TYR HB2 1.800 . 3.500 2.778 2.634 2.975 . 0 0 "[ . 1 . 2]" 1
706 1 62 TYR H 1 63 CYS H 1.800 . 5.000 4.458 4.208 4.530 . 0 0 "[ . 1 . 2]" 1
707 1 62 TYR H 1 67 ARG QG 1.800 . 6.000 3.975 2.916 5.086 . 0 0 "[ . 1 . 2]" 1
708 1 62 TYR HA 1 62 TYR QD 1.800 . 3.500 2.683 2.276 2.837 . 0 0 "[ . 1 . 2]" 1
709 1 62 TYR HA 1 63 CYS H 1.800 . 2.900 2.284 2.180 2.340 . 0 0 "[ . 1 . 2]" 1
710 1 62 TYR HB2 1 62 TYR QD 1.800 . 3.500 2.339 2.291 2.382 . 0 0 "[ . 1 . 2]" 1
711 1 62 TYR HB2 1 66 CYS HA 1.800 . 6.000 5.701 4.863 6.172 0.172 18 0 "[ . 1 . 2]" 1
712 1 62 TYR HB2 1 67 ARG HA 1.800 . 6.000 4.219 3.485 5.001 . 0 0 "[ . 1 . 2]" 1
713 1 62 TYR HB2 1 67 ARG QG 1.800 . 6.000 2.525 2.053 3.262 . 0 0 "[ . 1 . 2]" 1
714 1 62 TYR HB3 1 62 TYR QD 1.800 . 3.500 2.517 2.440 2.670 . 0 0 "[ . 1 . 2]" 1
715 1 62 TYR HB3 1 66 CYS HA 1.800 . 6.000 4.998 4.414 5.704 . 0 0 "[ . 1 . 2]" 1
716 1 62 TYR HB3 1 67 ARG HA 1.800 . 6.000 4.885 3.282 6.013 0.013 14 0 "[ . 1 . 2]" 1
717 1 62 TYR HB3 1 67 ARG QG 1.800 . 6.000 3.608 2.584 4.449 . 0 0 "[ . 1 . 2]" 1
718 1 62 TYR QD 1 63 CYS H 1.800 . 6.000 4.247 3.919 4.581 . 0 0 "[ . 1 . 2]" 1
719 1 62 TYR QD 1 67 ARG HA 1.800 . 6.000 4.689 3.856 5.469 . 0 0 "[ . 1 . 2]" 1
720 1 62 TYR QD 1 67 ARG QG 1.800 . 6.000 3.198 2.754 4.770 . 0 0 "[ . 1 . 2]" 1
721 1 62 TYR QE 1 67 ARG QD 1.800 . 6.000 5.979 5.224 6.101 0.101 18 0 "[ . 1 . 2]" 1
722 1 63 CYS H 1 63 CYS HA 1.800 . 2.900 2.805 2.739 2.885 . 0 0 "[ . 1 . 2]" 1
723 1 63 CYS H 1 63 CYS HB2 1.800 . 3.500 3.163 2.709 3.602 0.102 4 0 "[ . 1 . 2]" 1
724 1 63 CYS H 1 63 CYS HB3 1.800 . 3.500 3.235 2.361 3.588 0.088 16 0 "[ . 1 . 2]" 1
725 1 63 CYS H 1 64 PRO QD 1.800 . 6.000 4.413 4.370 4.470 . 0 0 "[ . 1 . 2]" 1
726 1 63 CYS H 1 66 CYS H 1.800 . 6.000 4.212 3.596 4.658 . 0 0 "[ . 1 . 2]" 1
727 1 63 CYS H 1 66 CYS QB 1.800 . 6.000 3.171 1.920 4.721 . 0 0 "[ . 1 . 2]" 1
728 1 63 CYS H 1 67 ARG H 1.800 . 6.000 5.152 4.494 5.662 . 0 0 "[ . 1 . 2]" 1
729 1 63 CYS HA 1 67 ARG QD 1.800 . 6.000 5.741 5.084 6.053 0.053 1 0 "[ . 1 . 2]" 1
730 1 63 CYS QB 1 67 ARG QH 1.800 . 6.000 5.335 4.263 5.832 . 0 0 "[ . 1 . 2]" 1
731 1 64 PRO QD 1 66 CYS H 1.800 . 6.000 4.513 4.260 4.807 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLU H 1 65 GLU HA 1.800 . 2.900 2.895 2.867 2.929 0.029 18 0 "[ . 1 . 2]" 1
733 1 65 GLU H 1 65 GLU QB 1.800 . 3.500 2.528 2.374 2.646 . 0 0 "[ . 1 . 2]" 1
734 1 65 GLU H 1 65 GLU HG2 1.800 . 6.000 2.015 1.810 2.363 . 0 0 "[ . 1 . 2]" 1
735 1 65 GLU H 1 65 GLU HG3 1.800 . 6.000 3.301 2.980 3.706 . 0 0 "[ . 1 . 2]" 1
736 1 65 GLU H 1 67 ARG QH 1.800 . 6.000 5.663 4.447 6.062 0.062 5 0 "[ . 1 . 2]" 1
737 1 65 GLU HA 1 65 GLU HG2 1.800 . 3.500 3.653 3.636 3.667 0.167 2 0 "[ . 1 . 2]" 1
738 1 65 GLU HA 1 65 GLU HG3 1.800 . 3.500 3.669 3.643 3.688 0.188 6 0 "[ . 1 . 2]" 1
739 1 65 GLU HA 1 66 CYS H 1.800 . 3.500 3.534 3.511 3.563 0.063 2 0 "[ . 1 . 2]" 1
740 1 65 GLU HA 1 67 ARG H 1.800 . 6.000 4.220 3.974 4.393 . 0 0 "[ . 1 . 2]" 1
741 1 65 GLU QB 1 66 CYS H 1.800 . 3.500 3.437 3.357 3.493 . 0 0 "[ . 1 . 2]" 1
742 1 65 GLU QB 1 68 ASN H 1.800 . 6.000 4.676 4.416 4.910 . 0 0 "[ . 1 . 2]" 1
743 1 65 GLU QG 1 66 CYS H 1.800 . 2.900 1.975 1.773 2.073 0.027 2 0 "[ . 1 . 2]" 1
744 1 65 GLU QG 1 68 ASN H 1.800 . 6.000 4.779 4.694 4.850 . 0 0 "[ . 1 . 2]" 1
745 1 65 GLU HG2 1 66 CYS H 1.800 . 2.900 2.269 1.824 2.696 . 0 0 "[ . 1 . 2]" 1
746 1 65 GLU HG3 1 66 CYS H 1.800 . 2.900 2.284 2.127 2.554 . 0 0 "[ . 1 . 2]" 1
747 1 65 GLU HG3 1 67 ARG QG 1.800 . 6.000 6.095 6.060 6.128 0.128 4 0 "[ . 1 . 2]" 1
748 1 66 CYS H 1 66 CYS HA 1.800 . 2.900 2.852 2.833 2.876 . 0 0 "[ . 1 . 2]" 1
749 1 66 CYS H 1 66 CYS HB2 1.800 . 3.500 2.593 2.132 3.494 . 0 0 "[ . 1 . 2]" 1
750 1 66 CYS H 1 66 CYS HB3 1.800 . 3.500 3.407 3.098 3.580 0.080 6 0 "[ . 1 . 2]" 1
751 1 66 CYS H 1 67 ARG H 1.800 . 2.900 2.672 2.583 2.771 . 0 0 "[ . 1 . 2]" 1
752 1 66 CYS H 1 67 ARG QB 1.800 . 6.000 4.734 4.581 4.805 . 0 0 "[ . 1 . 2]" 1
753 1 66 CYS H 1 67 ARG QG 1.800 . 6.000 4.018 3.813 4.179 . 0 0 "[ . 1 . 2]" 1
754 1 66 CYS HA 1 67 ARG H 1.800 . 3.500 3.527 3.504 3.552 0.052 4 0 "[ . 1 . 2]" 1
755 1 66 CYS HA 1 68 ASN H 1.800 . 6.000 3.892 3.758 4.082 . 0 0 "[ . 1 . 2]" 1
756 1 66 CYS QB 1 67 ARG QH 1.800 . 6.000 5.425 3.871 6.058 0.058 8 0 "[ . 1 . 2]" 1
757 1 66 CYS HB2 1 68 ASN H 1.800 . 6.000 4.982 4.847 5.051 . 0 0 "[ . 1 . 2]" 1
758 1 66 CYS HB3 1 68 ASN H 1.800 . 6.000 5.221 4.917 5.628 . 0 0 "[ . 1 . 2]" 1
759 1 67 ARG H 1 67 ARG QD 1.800 . 6.000 3.854 3.501 4.117 . 0 0 "[ . 1 . 2]" 1
760 1 67 ARG H 1 67 ARG QG 1.800 . 3.500 2.006 1.850 2.095 . 0 0 "[ . 1 . 2]" 1
761 1 67 ARG H 1 68 ASN H 1.800 . 2.900 2.627 2.606 2.645 . 0 0 "[ . 1 . 2]" 1
762 1 67 ARG HA 1 67 ARG QD 1.800 . 6.000 3.839 2.223 3.983 . 0 0 "[ . 1 . 2]" 1
763 1 67 ARG HA 1 67 ARG QG 1.800 . 3.500 2.384 2.330 2.834 . 0 0 "[ . 1 . 2]" 1
764 1 67 ARG HA 1 68 ASN H 1.800 . 3.500 3.483 3.478 3.492 . 0 0 "[ . 1 . 2]" 1
765 1 67 ARG HA 1 69 ASP H 1.800 . 6.000 4.618 3.079 5.997 . 0 0 "[ . 1 . 2]" 1
766 1 67 ARG QB 1 67 ARG QD 1.800 . 3.500 2.177 2.102 2.351 . 0 0 "[ . 1 . 2]" 1
767 1 67 ARG QB 1 67 ARG QH 1.800 . 6.000 3.503 2.928 3.695 . 0 0 "[ . 1 . 2]" 1
768 1 67 ARG QB 1 68 ASN H 1.800 . 3.500 2.892 2.865 2.908 . 0 0 "[ . 1 . 2]" 1
769 1 67 ARG QB 1 69 ASP H 1.800 . 6.000 3.276 2.908 4.737 . 0 0 "[ . 1 . 2]" 1
770 1 67 ARG HB2 1 69 ASP H 1.800 . 6.000 3.468 3.018 5.174 . 0 0 "[ . 1 . 2]" 1
771 1 67 ARG HB3 1 69 ASP H 1.800 . 6.000 4.134 3.779 5.495 . 0 0 "[ . 1 . 2]" 1
772 1 67 ARG QD 1 68 ASN H 1.800 . 6.000 5.116 4.953 5.536 . 0 0 "[ . 1 . 2]" 1
773 1 67 ARG QD 1 69 ASP H 1.800 . 6.000 5.264 4.756 6.159 0.159 19 0 "[ . 1 . 2]" 1
774 1 67 ARG QG 1 68 ASN H 1.800 . 6.000 4.043 3.963 4.112 . 0 0 "[ . 1 . 2]" 1
775 1 67 ARG QG 1 69 ASP H 1.800 . 6.000 5.071 4.892 5.952 . 0 0 "[ . 1 . 2]" 1
776 1 68 ASN H 1 68 ASN HA 1.800 . 2.900 2.466 2.342 2.896 . 0 0 "[ . 1 . 2]" 1
777 1 68 ASN H 1 68 ASN QB 1.800 . 3.500 2.912 2.241 3.386 . 0 0 "[ . 1 . 2]" 1
778 1 68 ASN HA 1 69 ASP H 1.800 . 3.500 2.945 2.779 3.557 0.057 17 0 "[ . 1 . 2]" 1
779 1 69 ASP H 1 69 ASP HA 1.800 . 2.900 2.834 2.354 2.969 0.069 14 0 "[ . 1 . 2]" 1
780 1 69 ASP H 1 69 ASP HB2 1.800 . 3.500 2.813 2.414 3.607 0.107 11 0 "[ . 1 . 2]" 1
781 2 2 ARG H 2 2 ARG QG 1.800 . 5.000 4.029 3.975 4.098 . 0 0 "[ . 1 . 2]" 1
782 2 2 ARG HA 2 3 THR H 1.800 . 3.500 2.506 2.180 3.551 0.051 4 0 "[ . 1 . 2]" 1
783 2 2 ARG QD 2 2 ARG QH 1.800 . 5.000 1.820 1.724 1.966 0.076 12 0 "[ . 1 . 2]" 1
784 2 2 ARG QG 2 2 ARG QH 1.800 . 5.000 3.299 1.832 3.530 . 0 0 "[ . 1 . 2]" 1
785 2 3 THR HA 2 4 LYS H 1.800 . 3.500 2.357 2.201 3.560 0.060 1 0 "[ . 1 . 2]" 1
786 2 3 THR HB 2 4 LYS H 1.800 . 5.000 3.887 2.509 4.452 . 0 0 "[ . 1 . 2]" 1
787 2 4 LYS H 2 4 LYS QG 1.800 . 5.000 3.326 2.047 4.150 . 0 0 "[ . 1 . 2]" 1
788 2 4 LYS H 2 5 GLN HA 1.800 . 5.000 4.960 4.675 5.205 0.205 4 0 "[ . 1 . 2]" 1
789 2 5 GLN QB 2 6 THR H 1.800 . 5.000 2.955 2.623 3.865 . 0 0 "[ . 1 . 2]" 1
790 2 6 THR H 2 6 THR MG 1.800 . 5.000 2.025 1.767 2.592 0.033 16 0 "[ . 1 . 2]" 1
791 2 6 THR HA 2 6 THR MG 1.800 . 3.500 2.502 2.394 2.791 . 0 0 "[ . 1 . 2]" 1
792 2 6 THR HA 2 7 ALA H 1.800 . 5.000 3.125 2.186 3.542 . 0 0 "[ . 1 . 2]" 1
793 2 6 THR HB 2 7 ALA H 1.800 . 5.000 3.615 2.553 4.263 . 0 0 "[ . 1 . 2]" 1
794 2 7 ALA H 2 7 ALA MB 1.800 . 3.500 2.335 2.055 3.051 . 0 0 "[ . 1 . 2]" 1
795 2 9 LYS HA 2 10 SER H 1.800 . 5.000 2.998 2.200 3.576 . 0 0 "[ . 1 . 2]" 1
796 2 10 SER H 2 12 GLY QA 1.800 . 5.000 5.084 4.956 5.184 0.184 10 0 "[ . 1 . 2]" 1
797 2 11 THR HA 2 11 THR MG 1.800 . 3.500 2.490 2.224 3.194 . 0 0 "[ . 1 . 2]" 1
798 2 11 THR HA 2 12 GLY H 1.800 . 5.000 3.289 2.400 3.558 . 0 0 "[ . 1 . 2]" 1
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