NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579626 |
2mq1   |
25008 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mq1
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 1002
_Distance_constraint_stats_list.Viol_count 2690
_Distance_constraint_stats_list.Viol_total 3246.140
_Distance_constraint_stats_list.Viol_max 0.314
_Distance_constraint_stats_list.Viol_rms 0.0276
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0603
_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 VAL 1.369 0.222 5 0 "[ . 1 . 2]"
1 2 HIS 3.532 0.222 5 0 "[ . 1 . 2]"
1 3 PHE 1.923 0.144 10 0 "[ . 1 . 2]"
1 4 CYS 1.815 0.102 8 0 "[ . 1 . 2]"
1 5 ASP 0.612 0.049 4 0 "[ . 1 . 2]"
1 6 LYS 4.955 0.155 9 0 "[ . 1 . 2]"
1 7 CYS 2.878 0.144 10 0 "[ . 1 . 2]"
1 8 GLY 0.300 0.050 1 0 "[ . 1 . 2]"
1 9 LEU 0.510 0.041 12 0 "[ . 1 . 2]"
1 10 PRO 0.140 0.042 20 0 "[ . 1 . 2]"
1 11 ILE 4.627 0.174 8 0 "[ . 1 . 2]"
1 12 LYS 0.350 0.197 5 0 "[ . 1 . 2]"
1 13 VAL 9.993 0.314 5 0 "[ . 1 . 2]"
1 14 TYR 3.389 0.314 5 0 "[ . 1 . 2]"
1 15 GLY 1.030 0.091 11 0 "[ . 1 . 2]"
1 16 ARG 0.896 0.165 10 0 "[ . 1 . 2]"
1 17 MET 5.055 0.248 11 0 "[ . 1 . 2]"
1 18 ILE 8.743 0.308 17 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 1.321 0.079 10 0 "[ . 1 . 2]"
1 21 LYS 3.953 0.198 10 0 "[ . 1 . 2]"
1 22 HIS 2.747 0.198 10 0 "[ . 1 . 2]"
1 23 VAL 0.758 0.159 16 0 "[ . 1 . 2]"
1 24 PHE 2.793 0.159 16 0 "[ . 1 . 2]"
1 25 CYS 2.999 0.155 9 0 "[ . 1 . 2]"
1 26 TYR 0.548 0.079 12 0 "[ . 1 . 2]"
1 27 ASP 4.415 0.171 5 0 "[ . 1 . 2]"
1 28 CYS 4.882 0.284 17 0 "[ . 1 . 2]"
1 29 ALA 3.490 0.175 7 0 "[ . 1 . 2]"
1 30 ILE 6.996 0.171 5 0 "[ . 1 . 2]"
1 31 LEU 4.398 0.284 17 0 "[ . 1 . 2]"
1 32 HIS 3.442 0.175 7 0 "[ . 1 . 2]"
1 33 GLU 0.947 0.083 5 0 "[ . 1 . 2]"
1 34 LYS 2.378 0.144 5 0 "[ . 1 . 2]"
1 35 LYS 4.029 0.187 4 0 "[ . 1 . 2]"
1 36 GLY 0.629 0.069 4 0 "[ . 1 . 2]"
1 37 ASP 2.961 0.187 4 0 "[ . 1 . 2]"
1 38 LYS 2.032 0.223 20 0 "[ . 1 . 2]"
1 39 MET 3.391 0.223 20 0 "[ . 1 . 2]"
1 40 CYS 2.242 0.154 4 0 "[ . 1 . 2]"
1 41 PRO 0.410 0.076 6 0 "[ . 1 . 2]"
1 42 GLY 2.494 0.147 4 0 "[ . 1 . 2]"
1 43 CYS 2.999 0.131 10 0 "[ . 1 . 2]"
1 44 SER 0.401 0.099 8 0 "[ . 1 . 2]"
1 45 ASP 1.909 0.086 8 0 "[ . 1 . 2]"
1 46 PRO 0.354 0.093 10 0 "[ . 1 . 2]"
1 47 VAL 2.022 0.154 4 0 "[ . 1 . 2]"
1 48 GLN 3.862 0.217 17 0 "[ . 1 . 2]"
1 49 ARG 10.128 0.275 2 0 "[ . 1 . 2]"
1 50 ILE 6.736 0.169 12 0 "[ . 1 . 2]"
1 51 GLU 9.300 0.248 11 0 "[ . 1 . 2]"
1 52 GLN 1.116 0.083 6 0 "[ . 1 . 2]"
1 53 CYS 1.448 0.082 11 0 "[ . 1 . 2]"
1 54 THR 0.727 0.071 4 0 "[ . 1 . 2]"
1 55 ARG 2.126 0.235 3 0 "[ . 1 . 2]"
1 56 GLY 0.478 0.218 3 0 "[ . 1 . 2]"
1 57 SER 4.271 0.235 3 0 "[ . 1 . 2]"
1 58 LEU 1.627 0.099 16 0 "[ . 1 . 2]"
1 59 PHE 5.572 0.176 15 0 "[ . 1 . 2]"
1 60 MET 0.293 0.079 3 0 "[ . 1 . 2]"
1 61 CYS 0.055 0.032 18 0 "[ . 1 . 2]"
1 62 SER 0.232 0.072 4 0 "[ . 1 . 2]"
1 63 ILE 0.580 0.077 17 0 "[ . 1 . 2]"
1 64 VAL 0.018 0.009 2 0 "[ . 1 . 2]"
1 65 GLN 0.013 0.013 9 0 "[ . 1 . 2]"
1 66 GLY 0.010 0.009 8 0 "[ . 1 . 2]"
1 67 CYS 0.244 0.120 20 0 "[ . 1 . 2]"
1 68 LYS 0.033 0.019 20 0 "[ . 1 . 2]"
1 69 ARG 1.566 0.120 20 0 "[ . 1 . 2]"
1 70 THR 2.839 0.176 15 0 "[ . 1 . 2]"
1 71 TYR 1.803 0.131 3 0 "[ . 1 . 2]"
1 72 LEU 5.440 0.145 3 0 "[ . 1 . 2]"
1 73 SER 3.596 0.143 18 0 "[ . 1 . 2]"
1 74 GLN 0.650 0.058 8 0 "[ . 1 . 2]"
1 75 ARG 0.781 0.056 15 0 "[ . 1 . 2]"
1 76 ASP 5.476 0.181 2 0 "[ . 1 . 2]"
1 77 LEU 8.193 0.214 8 0 "[ . 1 . 2]"
1 78 GLN 10.481 0.235 6 0 "[ . 1 . 2]"
1 79 ALA 6.052 0.214 8 0 "[ . 1 . 2]"
1 80 HIS 14.117 0.235 6 0 "[ . 1 . 2]"
1 81 ILE 13.534 0.238 2 0 "[ . 1 . 2]"
1 82 ASN 8.240 0.222 4 0 "[ . 1 . 2]"
1 83 HIS 8.260 0.238 2 0 "[ . 1 . 2]"
1 84 ARG 7.446 0.203 3 0 "[ . 1 . 2]"
1 85 HIS 4.656 0.222 4 0 "[ . 1 . 2]"
1 86 MET 4.417 0.203 3 0 "[ . 1 . 2]"
1 87 ARG 1.364 0.088 1 0 "[ . 1 . 2]"
1 88 ALA 0.017 0.017 12 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 VAL HA 1 2 HIS H 2.900 . 2.900 2.432 2.165 3.122 0.222 7 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 3 PHE H 5.000 . 5.000 4.504 3.546 5.128 0.128 11 0 "[ . 1 . 2]" 1
3 1 1 VAL HB 1 2 HIS H 3.500 . 3.500 2.975 2.091 3.635 0.135 9 0 "[ . 1 . 2]" 1
4 1 1 VAL QG 1 2 HIS H 2.900 . 5.300 2.952 1.578 3.645 0.222 5 0 "[ . 1 . 2]" 1
5 1 2 HIS HA 1 3 PHE H 3.500 . 3.500 3.339 2.659 3.568 0.068 6 0 "[ . 1 . 2]" 1
6 1 2 HIS QB 1 11 ILE H 5.000 . 6.000 3.892 2.924 4.627 . 0 0 "[ . 1 . 2]" 1
7 1 2 HIS H 1 2 HIS QB 2.900 . 3.500 2.970 2.716 3.460 . 0 0 "[ . 1 . 2]" 1
8 1 2 HIS QB 1 3 PHE H 3.500 . 4.500 2.728 1.819 4.025 . 0 0 "[ . 1 . 2]" 1
9 1 2 HIS HD2 1 3 PHE H 3.500 . 3.500 3.329 2.416 3.572 0.072 16 0 "[ . 1 . 2]" 1
10 1 2 HIS H 1 11 ILE HB 5.000 . 5.000 4.512 2.372 5.174 0.174 8 0 "[ . 1 . 2]" 1
11 1 2 HIS H 1 11 ILE MD 5.000 . 6.500 3.948 3.124 5.122 . 0 0 "[ . 1 . 2]" 1
12 1 2 HIS H 1 14 TYR QE 5.000 . 7.000 4.924 3.604 6.056 . 0 0 "[ . 1 . 2]" 1
13 1 2 HIS H 1 3 PHE H 3.500 . 3.500 2.980 2.334 3.644 0.144 10 0 "[ . 1 . 2]" 1
14 1 3 PHE HA 1 11 ILE H 5.000 . 5.000 2.920 2.663 3.466 . 0 0 "[ . 1 . 2]" 1
15 1 3 PHE H 1 3 PHE HA 2.900 . 2.900 2.909 2.889 2.925 0.025 18 0 "[ . 1 . 2]" 1
16 1 3 PHE HA 1 4 CYS H 2.900 . 2.900 2.207 2.166 2.233 . 0 0 "[ . 1 . 2]" 1
17 1 3 PHE H 1 3 PHE QB 2.900 . 3.500 2.621 2.104 3.067 . 0 0 "[ . 1 . 2]" 1
18 1 3 PHE QB 1 4 CYS H 3.500 . 4.500 3.567 3.250 3.914 . 0 0 "[ . 1 . 2]" 1
19 1 3 PHE H 1 3 PHE QD 3.500 . 5.500 2.922 1.812 4.445 . 0 0 "[ . 1 . 2]" 1
20 1 3 PHE QD 1 4 CYS H 5.000 . 7.000 4.308 3.235 4.820 . 0 0 "[ . 1 . 2]" 1
21 1 3 PHE H 1 10 PRO HA 5.000 . 5.000 4.292 4.133 4.421 . 0 0 "[ . 1 . 2]" 1
22 1 3 PHE H 1 10 PRO QB 5.000 . 6.000 5.440 5.376 5.541 . 0 0 "[ . 1 . 2]" 1
23 1 3 PHE H 1 11 ILE MD 3.500 . 5.000 3.413 1.775 3.927 0.025 15 0 "[ . 1 . 2]" 1
24 1 3 PHE H 1 4 CYS H 5.000 . 5.000 4.253 3.694 4.541 . 0 0 "[ . 1 . 2]" 1
25 1 4 CYS HA 1 25 CYS H 5.000 . 5.000 3.845 3.322 4.239 . 0 0 "[ . 1 . 2]" 1
26 1 4 CYS HA 1 5 ASP H 2.900 . 2.900 2.268 2.189 2.297 . 0 0 "[ . 1 . 2]" 1
27 1 4 CYS HA 1 6 LYS H 5.000 . 5.000 3.949 3.608 4.134 . 0 0 "[ . 1 . 2]" 1
28 1 4 CYS QB 1 25 CYS H 3.500 . 4.500 2.896 2.215 3.705 . 0 0 "[ . 1 . 2]" 1
29 1 4 CYS H 1 4 CYS QB 2.900 . 3.500 2.297 2.092 2.811 . 0 0 "[ . 1 . 2]" 1
30 1 4 CYS QB 1 5 ASP H 3.500 . 4.500 3.423 2.882 3.614 . 0 0 "[ . 1 . 2]" 1
31 1 4 CYS QB 1 6 LYS H 5.000 . 6.000 3.405 2.709 3.900 . 0 0 "[ . 1 . 2]" 1
32 1 4 CYS QB 1 7 CYS H 3.500 . 4.500 2.733 2.064 3.322 . 0 0 "[ . 1 . 2]" 1
33 1 4 CYS QB 1 8 GLY H 2.900 . 3.900 2.252 1.768 3.683 0.032 1 0 "[ . 1 . 2]" 1
34 1 4 CYS QB 1 9 LEU H 2.900 . 3.900 2.391 1.785 3.530 0.015 18 0 "[ . 1 . 2]" 1
35 1 4 CYS H 1 10 PRO HA 3.500 . 3.500 3.418 3.158 3.542 0.042 20 0 "[ . 1 . 2]" 1
36 1 4 CYS H 1 11 ILE HA 5.000 . 5.000 4.300 4.138 4.674 . 0 0 "[ . 1 . 2]" 1
37 1 4 CYS H 1 11 ILE HB 5.000 . 5.000 4.500 4.222 5.005 0.005 5 0 "[ . 1 . 2]" 1
38 1 4 CYS H 1 11 ILE MD 3.500 . 5.000 3.233 3.019 3.618 . 0 0 "[ . 1 . 2]" 1
39 1 4 CYS H 1 11 ILE HG13 5.000 . 5.000 2.183 2.005 2.602 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS H 1 11 ILE HG12 3.500 . 3.500 3.520 2.950 3.602 0.102 8 0 "[ . 1 . 2]" 1
41 1 4 CYS H 1 11 ILE MG 5.000 . 6.500 4.902 4.746 5.158 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS H 1 11 ILE H 3.500 . 3.500 2.921 2.509 3.561 0.061 5 0 "[ . 1 . 2]" 1
43 1 4 CYS H 1 25 CYS QB 5.000 . 6.000 4.848 3.502 5.536 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS H 1 5 ASP H 5.000 . 5.000 4.668 4.592 4.685 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS H 1 8 GLY H 5.000 . 5.000 4.202 3.791 4.485 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS H 1 9 LEU QB 5.000 . 6.000 4.221 3.984 4.400 . 0 0 "[ . 1 . 2]" 1
47 1 4 CYS H 1 9 LEU H 3.500 . 3.500 3.511 3.269 3.541 0.041 12 0 "[ . 1 . 2]" 1
48 1 5 ASP H 1 5 ASP HA 2.900 . 2.900 2.927 2.895 2.949 0.049 4 0 "[ . 1 . 2]" 1
49 1 5 ASP HA 1 6 LYS H 5.000 . 5.000 3.496 3.330 3.561 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASP HA 1 8 GLY H 5.000 . 5.000 4.124 3.702 4.500 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASP H 1 5 ASP QB 2.900 . 3.500 2.281 2.072 2.871 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASP QB 1 6 LYS H 3.500 . 4.500 3.006 2.802 3.327 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASP H 1 11 ILE MD 3.500 . 5.000 3.605 3.399 3.976 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASP H 1 24 PHE HA 5.000 . 5.000 3.721 3.406 4.202 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASP H 1 24 PHE QD 3.500 . 5.500 2.897 2.128 3.646 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASP H 1 24 PHE QE 5.000 . 7.000 4.077 3.480 4.779 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASP H 1 6 LYS H 2.900 . 2.900 2.397 2.270 2.549 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASP H 1 25 CYS H 5.000 . 5.000 4.779 4.152 5.020 0.020 12 0 "[ . 1 . 2]" 1
59 1 5 ASP H 1 7 CYS H 5.000 . 5.000 4.155 3.795 4.560 . 0 0 "[ . 1 . 2]" 1
60 1 5 ASP H 1 8 GLY H 5.000 . 5.000 4.297 4.105 4.488 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS H 1 6 LYS HA 2.900 . 2.900 2.958 2.907 2.978 0.078 8 0 "[ . 1 . 2]" 1
62 1 6 LYS HA 1 7 CYS H 3.500 . 3.500 3.556 3.526 3.572 0.072 8 0 "[ . 1 . 2]" 1
63 1 6 LYS H 1 6 LYS QB 2.900 . 3.500 2.277 2.154 2.411 . 0 0 "[ . 1 . 2]" 1
64 1 6 LYS QB 1 7 CYS H 2.900 . 3.900 2.525 2.056 2.845 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS QB 1 8 GLY H 5.000 . 6.000 4.414 4.131 4.710 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS H 1 6 LYS QD 5.000 . 6.000 4.305 2.894 4.822 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS QD 1 7 CYS H 5.000 . 6.000 4.111 2.825 4.977 . 0 0 "[ . 1 . 2]" 1
68 1 6 LYS H 1 6 LYS QE 5.000 . 6.000 4.953 4.371 5.437 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS H 1 6 LYS QG 3.500 . 4.500 3.895 3.354 4.134 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS QG 1 7 CYS H 5.000 . 6.000 4.186 3.430 4.554 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS H 1 24 PHE QB 5.000 . 6.000 4.189 3.587 4.625 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS H 1 24 PHE QD 2.900 . 4.900 2.752 2.496 2.923 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS H 1 24 PHE QE 3.500 . 5.500 3.895 3.748 4.053 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS H 1 7 CYS HA 5.000 . 5.000 5.047 5.014 5.144 0.144 10 0 "[ . 1 . 2]" 1
75 1 6 LYS H 1 7 CYS H 2.900 . 2.900 2.367 2.268 2.547 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS H 1 8 GLY H 3.500 . 3.500 3.408 3.187 3.550 0.050 1 0 "[ . 1 . 2]" 1
77 1 6 LYS H 1 25 CYS H 5.000 . 5.000 5.059 4.615 5.155 0.155 9 0 "[ . 1 . 2]" 1
78 1 7 CYS H 1 7 CYS HA 2.900 . 2.900 2.928 2.835 2.979 0.079 15 0 "[ . 1 . 2]" 1
79 1 7 CYS HA 1 8 GLY H 3.500 . 3.500 3.474 3.410 3.515 0.015 7 0 "[ . 1 . 2]" 1
80 1 7 CYS QB 1 8 GLY H 3.500 . 4.500 3.045 2.799 3.398 . 0 0 "[ . 1 . 2]" 1
81 1 7 CYS QB 1 9 LEU H 5.000 . 6.000 2.322 2.138 2.909 . 0 0 "[ . 1 . 2]" 1
82 1 7 CYS H 1 24 PHE QD 5.000 . 7.000 4.329 3.805 5.098 . 0 0 "[ . 1 . 2]" 1
83 1 7 CYS H 1 8 GLY QA 5.000 . 6.000 4.305 3.850 4.598 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS H 1 8 GLY H 2.900 . 2.900 2.343 1.786 2.714 0.014 4 0 "[ . 1 . 2]" 1
85 1 7 CYS H 1 9 LEU H 5.000 . 5.000 3.946 3.419 4.303 . 0 0 "[ . 1 . 2]" 1
86 1 8 GLY QA 1 9 LEU H 3.500 . 4.500 2.929 2.907 2.945 . 0 0 "[ . 1 . 2]" 1
87 1 8 GLY H 1 9 LEU H 2.900 . 2.900 2.603 2.336 2.828 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU H 1 9 LEU QB 2.900 . 3.500 2.191 2.091 2.297 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU H 1 9 LEU QD 3.500 . 5.200 2.603 2.215 3.344 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU H 1 10 PRO QD 5.000 . 6.500 4.448 4.433 4.480 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU HA 1 10 PRO QD 5.000 . 6.500 2.177 2.160 2.252 . 0 0 "[ . 1 . 2]" 1
92 1 10 PRO HA 1 11 ILE H 2.900 . 2.900 2.179 2.150 2.231 . 0 0 "[ . 1 . 2]" 1
93 1 10 PRO QB 1 11 ILE H 2.900 . 3.900 3.503 3.093 3.680 . 0 0 "[ . 1 . 2]" 1
94 1 11 ILE H 1 11 ILE HA 2.900 . 2.900 2.827 2.737 2.951 0.051 11 0 "[ . 1 . 2]" 1
95 1 11 ILE HA 1 12 LYS H 3.500 . 3.500 2.268 2.168 3.551 0.051 5 0 "[ . 1 . 2]" 1
96 1 11 ILE HA 1 13 VAL H 3.500 . 3.500 3.537 3.341 3.640 0.140 16 0 "[ . 1 . 2]" 1
97 1 11 ILE HB 1 12 LYS H 5.000 . 5.000 4.267 1.997 4.532 . 0 0 "[ . 1 . 2]" 1
98 1 11 ILE MD 1 12 LYS H 5.000 . 6.500 5.281 3.976 5.561 . 0 0 "[ . 1 . 2]" 1
99 1 11 ILE MD 1 24 PHE H 5.000 . 6.500 4.240 3.847 5.123 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE MD 1 25 CYS H 3.500 . 5.000 3.687 3.126 3.993 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE MD 1 26 TYR H 5.000 . 6.500 5.392 5.304 5.462 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE HG13 1 25 CYS H 5.000 . 5.000 4.333 3.556 4.912 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE HG12 1 12 LYS H 5.000 . 5.000 4.600 4.490 4.899 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE HG12 1 13 VAL H 5.000 . 5.000 5.062 4.998 5.161 0.161 20 0 "[ . 1 . 2]" 1
105 1 11 ILE HG12 1 25 CYS H 5.000 . 5.000 2.900 2.206 3.362 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE H 1 11 ILE MG 3.500 . 5.000 3.747 3.728 3.775 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE MG 1 12 LYS H 3.500 . 5.000 2.920 2.530 3.676 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE MG 1 13 VAL H 2.900 . 4.400 2.343 2.119 2.686 . 0 0 "[ . 1 . 2]" 1
109 1 11 ILE MG 1 14 TYR H 3.500 . 5.000 3.604 3.340 3.846 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE MG 1 15 GLY H 3.500 . 5.000 3.092 2.914 3.235 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE MG 1 25 CYS H 5.000 . 6.500 3.814 3.447 4.405 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE MG 1 26 TYR H 3.500 . 5.000 3.170 2.883 3.425 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE MG 1 27 ASP H 5.000 . 6.500 4.938 4.666 5.266 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE H 1 12 LYS H 5.000 . 5.000 4.332 2.793 4.559 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS HA 1 13 VAL H 3.500 . 3.500 3.503 3.488 3.530 0.030 11 0 "[ . 1 . 2]" 1
116 1 12 LYS H 1 12 LYS QB 3.500 . 4.100 2.596 2.279 3.505 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS QB 1 13 VAL H 2.900 . 3.900 2.846 2.598 3.412 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS H 1 12 LYS QE 5.000 . 6.000 4.219 2.783 5.319 . 0 0 "[ . 1 . 2]" 1
119 1 12 LYS QE 1 13 VAL H 5.000 . 6.000 4.825 3.703 5.227 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS QG 1 13 VAL H 3.500 . 4.500 3.477 1.937 3.969 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS H 1 13 VAL H 2.900 . 2.900 2.357 2.139 3.097 0.197 5 0 "[ . 1 . 2]" 1
122 1 13 VAL H 1 13 VAL HA 2.900 . 2.900 2.965 2.951 2.982 0.082 16 0 "[ . 1 . 2]" 1
123 1 13 VAL HA 1 14 TYR H 2.900 . 2.900 2.279 2.145 2.320 . 0 0 "[ . 1 . 2]" 1
124 1 13 VAL HA 1 53 CYS H 5.000 . 5.000 4.676 4.182 4.908 . 0 0 "[ . 1 . 2]" 1
125 1 13 VAL HA 1 55 ARG H 5.000 . 5.000 4.900 4.565 5.046 0.046 3 0 "[ . 1 . 2]" 1
126 1 13 VAL H 1 13 VAL HB 2.900 . 2.900 3.050 2.985 3.170 0.270 5 0 "[ . 1 . 2]" 1
127 1 13 VAL HB 1 14 TYR H 3.500 . 3.500 3.633 3.596 3.814 0.314 5 0 "[ . 1 . 2]" 1
128 1 13 VAL HB 1 26 TYR H 3.500 . 3.500 3.171 2.892 3.541 0.041 11 0 "[ . 1 . 2]" 1
129 1 13 VAL HB 1 27 ASP H 5.000 . 5.000 4.780 4.422 5.021 0.021 11 0 "[ . 1 . 2]" 1
130 1 13 VAL H 1 13 VAL QG 2.900 . 4.600 2.422 2.315 2.524 . 0 0 "[ . 1 . 2]" 1
131 1 13 VAL QG 1 14 TYR H 2.900 . 5.300 2.413 2.261 2.920 . 0 0 "[ . 1 . 2]" 1
132 1 13 VAL QG 1 26 TYR H 3.500 . 5.900 3.774 3.600 3.991 . 0 0 "[ . 1 . 2]" 1
133 1 13 VAL QG 1 27 ASP H 5.000 . 7.400 4.401 4.068 4.593 . 0 0 "[ . 1 . 2]" 1
134 1 13 VAL QG 1 52 GLN HE21 3.500 . 5.900 2.558 1.770 2.889 0.030 14 0 "[ . 1 . 2]" 1
135 1 13 VAL QG 1 52 GLN HE22 3.500 . 5.900 3.758 2.771 4.049 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL QG 1 53 CYS H 3.500 . 5.900 2.679 2.438 3.035 . 0 0 "[ . 1 . 2]" 1
137 1 63 ILE MG 1 86 MET H 5.000 . 6.500 5.225 5.028 5.368 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 14 TYR HA 5.000 . 5.000 4.625 4.501 4.691 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL H 1 14 TYR QD 5.000 . 7.000 4.462 4.154 5.117 . 0 0 "[ . 1 . 2]" 1
140 1 13 VAL H 1 14 TYR H 5.000 . 5.000 4.329 4.045 4.412 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL H 1 25 CYS HA 5.000 . 5.000 3.528 3.257 3.903 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL H 1 25 CYS QB 5.000 . 6.000 4.237 3.925 4.607 . 0 0 "[ . 1 . 2]" 1
143 1 13 VAL H 1 26 TYR QB 5.000 . 6.000 4.009 3.477 4.252 . 0 0 "[ . 1 . 2]" 1
144 1 13 VAL H 1 26 TYR H 5.000 . 5.000 3.435 3.212 3.838 . 0 0 "[ . 1 . 2]" 1
145 1 14 TYR HA 1 15 GLY H 3.500 . 3.500 2.184 2.157 2.216 . 0 0 "[ . 1 . 2]" 1
146 1 14 TYR HA 1 24 PHE H 5.000 . 5.000 3.787 3.655 3.925 . 0 0 "[ . 1 . 2]" 1
147 1 14 TYR HA 1 26 TYR H 5.000 . 5.000 4.061 3.849 4.287 . 0 0 "[ . 1 . 2]" 1
148 1 14 TYR H 1 14 TYR QB 2.900 . 3.500 2.222 2.192 2.352 . 0 0 "[ . 1 . 2]" 1
149 1 14 TYR QB 1 15 GLY H 2.900 . 3.900 3.608 3.504 3.676 . 0 0 "[ . 1 . 2]" 1
150 1 14 TYR QB 1 24 PHE H 5.000 . 6.000 4.441 4.098 4.569 . 0 0 "[ . 1 . 2]" 1
151 1 14 TYR QB 1 53 CYS H 3.500 . 4.500 2.765 2.537 2.987 . 0 0 "[ . 1 . 2]" 1
152 1 14 TYR H 1 14 TYR QD 2.900 . 4.900 2.436 1.809 2.709 . 0 0 "[ . 1 . 2]" 1
153 1 14 TYR QD 1 15 GLY H 3.500 . 5.500 4.401 4.263 4.647 . 0 0 "[ . 1 . 2]" 1
154 1 14 TYR QD 1 24 PHE H 3.500 . 5.500 5.257 4.812 5.413 . 0 0 "[ . 1 . 2]" 1
155 1 14 TYR QD 1 53 CYS H 5.000 . 7.000 4.791 4.189 5.029 . 0 0 "[ . 1 . 2]" 1
156 1 14 TYR QD 1 55 ARG H 5.000 . 7.000 4.382 3.379 4.866 . 0 0 "[ . 1 . 2]" 1
157 1 14 TYR H 1 14 TYR QE 3.500 . 5.500 4.716 4.148 4.894 . 0 0 "[ . 1 . 2]" 1
158 1 14 TYR QE 1 55 ARG H 3.500 . 5.500 4.537 2.490 4.879 . 0 0 "[ . 1 . 2]" 1
159 1 14 TYR QE 1 57 SER H 3.500 . 5.500 5.109 4.730 5.385 . 0 0 "[ . 1 . 2]" 1
160 1 14 TYR QE 1 58 LEU H 5.000 . 7.000 4.619 3.929 5.427 . 0 0 "[ . 1 . 2]" 1
161 1 14 TYR H 1 15 GLY H 5.000 . 5.000 4.313 4.212 4.449 . 0 0 "[ . 1 . 2]" 1
162 1 14 TYR H 1 26 TYR H 5.000 . 5.000 5.018 4.944 5.079 0.079 12 0 "[ . 1 . 2]" 1
163 1 14 TYR H 1 52 GLN HA 5.000 . 5.000 4.648 4.552 4.842 . 0 0 "[ . 1 . 2]" 1
164 1 14 TYR H 1 53 CYS HA 5.000 . 5.000 4.969 4.818 5.061 0.061 2 0 "[ . 1 . 2]" 1
165 1 14 TYR H 1 54 THR HA 5.000 . 5.000 3.762 3.457 3.879 . 0 0 "[ . 1 . 2]" 1
166 1 14 TYR H 1 53 CYS QB 3.500 . 4.500 4.060 3.865 4.152 . 0 0 "[ . 1 . 2]" 1
167 1 14 TYR H 1 53 CYS H 3.500 . 3.500 2.967 2.854 3.109 . 0 0 "[ . 1 . 2]" 1
168 1 14 TYR H 1 54 THR MG 5.000 . 6.500 5.135 4.555 5.269 . 0 0 "[ . 1 . 2]" 1
169 1 14 TYR H 1 58 LEU QD 5.000 . 7.400 5.344 4.365 5.511 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLY QA 1 16 ARG H 2.900 . 3.900 2.266 2.190 2.325 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLY QA 1 24 PHE H 5.000 . 6.000 2.961 2.779 3.212 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLY QA 1 26 TYR H 5.000 . 6.000 3.230 3.029 3.355 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLY QA 1 51 GLU H 5.000 . 6.000 4.127 3.887 4.327 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLY QA 1 53 CYS H 5.000 . 6.000 4.064 3.840 4.325 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLY H 1 16 ARG H 5.000 . 5.000 3.987 3.855 4.140 . 0 0 "[ . 1 . 2]" 1
176 1 15 GLY H 1 23 VAL HA 5.000 . 5.000 4.249 4.134 4.393 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLY H 1 23 VAL HB 5.000 . 5.000 3.924 3.551 4.758 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLY H 1 23 VAL QG 3.500 . 5.900 3.591 2.602 4.178 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLY H 1 24 PHE HA 5.000 . 5.000 4.332 4.159 4.533 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLY H 1 24 PHE H 3.500 . 3.500 2.482 2.394 2.595 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLY H 1 24 PHE QB 5.000 . 6.000 4.265 4.013 4.372 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLY H 1 25 CYS HA 3.500 . 3.500 3.540 3.389 3.591 0.091 11 0 "[ . 1 . 2]" 1
183 1 15 GLY H 1 26 TYR HA 5.000 . 5.000 3.793 3.639 3.991 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLY H 1 26 TYR QB 3.500 . 4.500 3.366 3.178 3.494 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLY H 1 26 TYR QD 3.500 . 5.500 4.622 4.438 4.755 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLY H 1 26 TYR H 3.500 . 3.500 2.843 2.655 2.948 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLY H 1 29 ALA MB 3.500 . 5.000 4.181 4.104 4.242 . 0 0 "[ . 1 . 2]" 1
188 1 16 ARG HA 1 16 ARG HE 5.000 . 5.000 4.967 4.212 5.165 0.165 10 0 "[ . 1 . 2]" 1
189 1 16 ARG HA 1 24 PHE QE 5.000 . 7.000 5.629 5.402 5.941 . 0 0 "[ . 1 . 2]" 1
190 1 16 ARG HA 1 17 MET H 2.900 . 2.900 2.203 2.164 2.247 . 0 0 "[ . 1 . 2]" 1
191 1 16 ARG HA 1 51 GLU H 5.000 . 5.000 4.524 4.393 4.626 . 0 0 "[ . 1 . 2]" 1
192 1 16 ARG H 1 16 ARG QB 2.900 . 3.500 2.260 2.116 2.301 . 0 0 "[ . 1 . 2]" 1
193 1 16 ARG H 1 16 ARG QD 5.000 . 6.000 4.283 3.660 4.696 . 0 0 "[ . 1 . 2]" 1
194 1 16 ARG HE 1 23 VAL QG 5.000 . 7.400 4.167 3.165 4.853 . 0 0 "[ . 1 . 2]" 1
195 1 16 ARG HE 1 58 LEU QD 5.000 . 7.400 3.071 1.838 3.627 . 0 0 "[ . 1 . 2]" 1
196 1 16 ARG HE 1 70 THR HB 5.000 . 5.000 4.877 4.081 5.033 0.033 2 0 "[ . 1 . 2]" 1
197 1 16 ARG HE 1 71 TYR HA 5.000 . 5.000 4.648 4.332 5.023 0.023 4 0 "[ . 1 . 2]" 1
198 1 16 ARG HE 1 72 LEU QD 5.000 . 7.400 2.689 2.132 3.161 . 0 0 "[ . 1 . 2]" 1
199 1 16 ARG H 1 16 ARG QG 3.500 . 4.500 4.002 3.922 4.066 . 0 0 "[ . 1 . 2]" 1
200 1 16 ARG QG 1 17 MET H 2.900 . 3.900 2.247 1.938 2.411 . 0 0 "[ . 1 . 2]" 1
201 1 16 ARG QG 1 21 LYS H 5.000 . 6.000 4.442 4.236 4.944 . 0 0 "[ . 1 . 2]" 1
202 1 16 ARG QG 1 22 HIS H 5.000 . 6.000 4.143 3.900 4.596 . 0 0 "[ . 1 . 2]" 1
203 1 16 ARG QG 1 51 GLU H 3.500 . 4.500 4.000 3.655 4.160 . 0 0 "[ . 1 . 2]" 1
204 1 16 ARG H 1 17 MET H 5.000 . 5.000 4.623 4.594 4.660 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG H 1 23 VAL HA 5.000 . 5.000 4.333 4.223 4.505 . 0 0 "[ . 1 . 2]" 1
206 1 16 ARG H 1 23 VAL QG 5.000 . 7.400 4.023 3.361 4.465 . 0 0 "[ . 1 . 2]" 1
207 1 16 ARG H 1 26 TYR QD 3.500 . 5.500 4.132 3.903 4.262 . 0 0 "[ . 1 . 2]" 1
208 1 16 ARG H 1 26 TYR QE 5.000 . 7.000 5.408 5.143 5.602 . 0 0 "[ . 1 . 2]" 1
209 1 16 ARG H 1 29 ALA MB 5.000 . 6.500 4.879 4.441 5.222 . 0 0 "[ . 1 . 2]" 1
210 1 16 ARG H 1 50 ILE MG 2.900 . 4.400 3.494 3.427 3.542 . 0 0 "[ . 1 . 2]" 1
211 1 16 ARG H 1 51 GLU HA 5.000 . 5.000 4.942 4.881 5.015 0.015 11 0 "[ . 1 . 2]" 1
212 1 16 ARG H 1 51 GLU QG 5.000 . 6.000 5.343 5.199 5.399 . 0 0 "[ . 1 . 2]" 1
213 1 16 ARG H 1 51 GLU H 3.500 . 3.500 3.384 3.274 3.489 . 0 0 "[ . 1 . 2]" 1
214 1 16 ARG H 1 52 GLN HA 3.500 . 3.500 3.033 2.833 3.259 . 0 0 "[ . 1 . 2]" 1
215 1 16 ARG H 1 52 GLN H 5.000 . 5.000 4.759 4.665 4.855 . 0 0 "[ . 1 . 2]" 1
216 1 16 ARG H 1 53 CYS H 5.000 . 5.000 3.815 3.601 4.123 . 0 0 "[ . 1 . 2]" 1
217 1 17 MET H 1 17 MET HA 2.900 . 2.900 2.991 2.982 3.000 0.100 10 0 "[ . 1 . 2]" 1
218 1 17 MET HA 1 18 ILE H 2.900 . 2.900 2.198 2.177 2.225 . 0 0 "[ . 1 . 2]" 1
219 1 17 MET HA 1 51 GLU H 3.500 . 3.500 3.651 3.576 3.748 0.248 11 0 "[ . 1 . 2]" 1
220 1 17 MET H 1 17 MET QB 2.900 . 3.500 2.767 2.455 3.017 . 0 0 "[ . 1 . 2]" 1
221 1 17 MET QB 1 18 ILE H 2.900 . 3.900 3.171 3.086 3.647 . 0 0 "[ . 1 . 2]" 1
222 1 17 MET QB 1 21 LYS H 3.500 . 4.500 3.728 3.511 3.851 . 0 0 "[ . 1 . 2]" 1
223 1 17 MET QB 1 22 HIS H 3.500 . 4.500 2.845 2.492 3.159 . 0 0 "[ . 1 . 2]" 1
224 1 17 MET ME 1 29 ALA H 5.000 . 6.500 5.284 4.982 5.525 . 0 0 "[ . 1 . 2]" 1
225 1 17 MET ME 1 51 GLU H 5.000 . 6.500 5.037 4.739 5.331 . 0 0 "[ . 1 . 2]" 1
226 1 17 MET ME 1 42 GLY H 5.000 . 6.500 5.345 4.857 5.505 . 0 0 "[ . 1 . 2]" 1
227 1 17 MET H 1 18 ILE H 5.000 . 5.000 4.391 4.293 4.447 . 0 0 "[ . 1 . 2]" 1
228 1 17 MET H 1 21 LYS HA 5.000 . 5.000 3.940 3.622 4.088 . 0 0 "[ . 1 . 2]" 1
229 1 17 MET H 1 21 LYS QG 5.000 . 6.000 5.355 4.955 5.429 . 0 0 "[ . 1 . 2]" 1
230 1 17 MET H 1 21 LYS H 5.000 . 5.000 4.240 4.098 4.401 . 0 0 "[ . 1 . 2]" 1
231 1 17 MET H 1 22 HIS QB 3.500 . 4.500 3.918 3.780 4.092 . 0 0 "[ . 1 . 2]" 1
232 1 17 MET H 1 22 HIS H 3.500 . 3.500 3.121 3.003 3.307 . 0 0 "[ . 1 . 2]" 1
233 1 17 MET H 1 23 VAL HA 3.500 . 3.500 3.315 3.063 3.541 0.041 16 0 "[ . 1 . 2]" 1
234 1 17 MET H 1 23 VAL QG 2.900 . 5.300 3.581 3.332 3.978 . 0 0 "[ . 1 . 2]" 1
235 1 17 MET H 1 24 PHE QD 5.000 . 7.000 4.622 4.261 5.245 . 0 0 "[ . 1 . 2]" 1
236 1 17 MET H 1 24 PHE QE 5.000 . 7.000 4.602 4.330 5.029 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HA 1 48 GLN H 5.000 . 5.000 4.796 4.710 4.871 . 0 0 "[ . 1 . 2]" 1
238 1 18 ILE HA 1 49 ARG H 5.000 . 5.000 4.959 4.867 5.035 0.035 17 0 "[ . 1 . 2]" 1
239 1 18 ILE H 1 18 ILE HA 2.900 . 2.900 2.983 2.978 2.990 0.090 2 0 "[ . 1 . 2]" 1
240 1 18 ILE HA 1 20 CYS H 5.000 . 5.000 2.662 2.480 2.830 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE HA 1 21 LYS H 3.500 . 3.500 1.988 1.881 2.098 . 0 0 "[ . 1 . 2]" 1
242 1 18 ILE HB 1 49 ARG H 3.500 . 3.500 3.719 3.604 3.775 0.275 2 0 "[ . 1 . 2]" 1
243 1 18 ILE H 1 18 ILE MD 3.500 . 5.000 3.535 1.977 3.734 . 0 0 "[ . 1 . 2]" 1
244 1 18 ILE MD 1 49 ARG H 5.000 . 6.500 3.016 2.785 3.551 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE MD 1 51 GLU H 5.000 . 6.500 4.963 2.938 5.284 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE H 1 18 ILE HG13 2.900 . 2.900 2.159 2.022 3.208 0.308 17 0 "[ . 1 . 2]" 1
247 1 18 ILE HG13 1 49 ARG H 3.500 . 3.500 1.839 1.732 3.088 0.068 11 0 "[ . 1 . 2]" 1
248 1 18 ILE H 1 18 ILE HG12 2.900 . 2.900 2.138 1.724 2.263 0.076 17 0 "[ . 1 . 2]" 1
249 1 18 ILE HG12 1 49 ARG H 3.500 . 3.500 3.323 1.927 3.435 . 0 0 "[ . 1 . 2]" 1
250 1 18 ILE H 1 18 ILE MG 3.500 . 5.000 3.375 3.302 3.495 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE MG 1 21 LYS H 3.500 . 5.000 3.203 3.063 3.321 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE MG 1 49 ARG H 5.000 . 6.500 4.600 4.559 4.628 . 0 0 "[ . 1 . 2]" 1
253 1 18 ILE H 1 20 CYS H 5.000 . 5.000 4.393 4.116 4.587 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE H 1 21 LYS H 5.000 . 5.000 4.232 4.100 4.314 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE H 1 47 VAL HA 5.000 . 5.000 4.057 3.582 4.292 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE H 1 47 VAL QG 2.900 . 5.300 3.594 3.213 4.046 . 0 0 "[ . 1 . 2]" 1
257 1 18 ILE H 1 48 GLN H 5.000 . 5.000 3.814 3.089 4.004 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE H 1 48 GLN QB 5.000 . 6.000 3.973 3.804 4.221 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE H 1 49 ARG QB 5.000 . 6.000 5.002 4.779 5.466 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE H 1 49 ARG QG 5.000 . 6.000 4.421 4.120 4.667 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE H 1 49 ARG H 2.900 . 2.900 2.930 2.839 3.002 0.102 8 0 "[ . 1 . 2]" 1
262 1 18 ILE H 1 50 ILE HA 3.500 . 3.500 3.535 3.490 3.607 0.107 2 0 "[ . 1 . 2]" 1
263 1 18 ILE H 1 50 ILE MG 5.000 . 6.500 4.678 4.283 4.828 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE H 1 51 GLU H 5.000 . 5.000 4.993 4.803 5.061 0.061 8 0 "[ . 1 . 2]" 1
265 1 19 PRO HA 1 20 CYS H 3.500 . 3.500 3.311 3.250 3.365 . 0 0 "[ . 1 . 2]" 1
266 1 19 PRO QB 1 20 CYS H 5.000 . 6.000 3.723 3.655 3.776 . 0 0 "[ . 1 . 2]" 1
267 1 19 PRO QD 1 20 CYS H 3.500 . 4.500 2.600 2.521 2.719 . 0 0 "[ . 1 . 2]" 1
268 1 19 PRO QD 1 48 GLN HE22 5.000 . 6.000 4.650 3.259 5.178 . 0 0 "[ . 1 . 2]" 1
269 1 19 PRO QD 1 48 GLN H 2.900 . 3.900 2.552 2.273 3.411 . 0 0 "[ . 1 . 2]" 1
270 1 19 PRO QD 1 49 ARG H 5.000 . 6.000 4.460 4.331 4.694 . 0 0 "[ . 1 . 2]" 1
271 1 19 PRO QG 1 20 CYS H 3.500 . 4.500 3.310 3.089 3.437 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS H 1 20 CYS HA 2.900 . 2.900 2.815 2.786 2.832 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HA 1 21 LYS H 3.500 . 3.500 3.522 3.492 3.535 0.035 12 0 "[ . 1 . 2]" 1
274 1 20 CYS H 1 20 CYS QB 2.900 . 3.500 2.136 2.035 2.259 . 0 0 "[ . 1 . 2]" 1
275 1 20 CYS QB 1 21 LYS H 5.000 . 6.000 2.678 2.562 2.805 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS QB 1 22 HIS H 5.000 . 6.000 2.304 2.138 2.833 . 0 0 "[ . 1 . 2]" 1
277 1 20 CYS H 1 21 LYS HA 5.000 . 5.000 5.044 5.018 5.079 0.079 10 0 "[ . 1 . 2]" 1
278 1 20 CYS H 1 21 LYS H 2.900 . 2.900 2.739 2.713 2.795 . 0 0 "[ . 1 . 2]" 1
279 1 20 CYS H 1 47 VAL QG 5.000 . 7.400 4.738 4.547 5.007 . 0 0 "[ . 1 . 2]" 1
280 1 21 LYS H 1 21 LYS HA 2.900 . 2.900 2.342 2.322 2.353 . 0 0 "[ . 1 . 2]" 1
281 1 21 LYS HA 1 22 HIS H 3.500 . 3.500 2.965 2.904 3.042 . 0 0 "[ . 1 . 2]" 1
282 1 21 LYS H 1 21 LYS QB 3.500 . 4.100 3.075 3.041 3.131 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS QB 1 22 HIS H 5.000 . 6.000 3.737 3.676 3.793 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 21 LYS QD 5.000 . 6.000 5.207 4.879 5.357 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS H 1 22 HIS HA 5.000 . 5.000 5.132 5.089 5.198 0.198 10 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 22 HIS H 2.900 . 2.900 2.430 2.370 2.539 . 0 0 "[ . 1 . 2]" 1
287 1 22 HIS HA 1 23 VAL H 3.500 . 3.500 2.622 2.434 2.760 . 0 0 "[ . 1 . 2]" 1
288 1 22 HIS H 1 22 HIS QB 2.900 . 3.500 2.272 2.163 2.446 . 0 0 "[ . 1 . 2]" 1
289 1 22 HIS QB 1 23 VAL H 5.000 . 6.000 2.188 1.932 2.685 . 0 0 "[ . 1 . 2]" 1
290 1 22 HIS H 1 22 HIS HD2 5.000 . 5.000 4.545 3.353 5.042 0.042 5 0 "[ . 1 . 2]" 1
291 1 22 HIS H 1 23 VAL QG 5.000 . 7.400 4.397 4.270 4.695 . 0 0 "[ . 1 . 2]" 1
292 1 22 HIS H 1 23 VAL H 5.000 . 5.000 4.547 4.458 4.626 . 0 0 "[ . 1 . 2]" 1
293 1 23 VAL HA 1 24 PHE H 2.900 . 2.900 2.295 2.260 2.346 . 0 0 "[ . 1 . 2]" 1
294 1 23 VAL HB 1 24 PHE H 2.900 . 2.900 2.884 2.743 3.059 0.159 16 0 "[ . 1 . 2]" 1
295 1 23 VAL H 1 23 VAL QG 3.500 . 5.200 2.191 1.964 2.306 . 0 0 "[ . 1 . 2]" 1
296 1 23 VAL QG 1 24 PHE H 2.900 . 5.300 2.844 1.903 3.374 . 0 0 "[ . 1 . 2]" 1
297 1 23 VAL H 1 24 PHE H 5.000 . 5.000 4.431 4.391 4.505 . 0 0 "[ . 1 . 2]" 1
298 1 24 PHE H 1 24 PHE HA 2.900 . 2.900 2.929 2.910 2.949 0.049 15 0 "[ . 1 . 2]" 1
299 1 24 PHE HA 1 25 CYS H 2.900 . 2.900 2.592 2.409 2.952 0.052 4 0 "[ . 1 . 2]" 1
300 1 24 PHE H 1 24 PHE QB 3.500 . 4.100 2.966 2.880 3.025 . 0 0 "[ . 1 . 2]" 1
301 1 24 PHE QB 1 25 CYS H 2.900 . 3.900 2.275 1.745 2.570 0.055 4 0 "[ . 1 . 2]" 1
302 1 24 PHE QB 1 28 CYS H 5.000 . 6.000 4.826 4.533 5.094 . 0 0 "[ . 1 . 2]" 1
303 1 24 PHE QB 1 29 ALA H 3.500 . 4.500 3.959 3.764 4.109 . 0 0 "[ . 1 . 2]" 1
304 1 24 PHE H 1 24 PHE QD 3.500 . 5.500 3.141 2.787 3.382 . 0 0 "[ . 1 . 2]" 1
305 1 24 PHE QD 1 25 CYS H 3.500 . 5.500 3.987 3.675 4.163 . 0 0 "[ . 1 . 2]" 1
306 1 24 PHE QD 1 29 ALA H 5.000 . 7.000 5.797 5.540 5.985 . 0 0 "[ . 1 . 2]" 1
307 1 24 PHE H 1 24 PHE QE 5.000 . 7.000 4.983 4.799 5.195 . 0 0 "[ . 1 . 2]" 1
308 1 24 PHE QE 1 42 GLY H 3.500 . 5.500 3.281 2.995 3.507 . 0 0 "[ . 1 . 2]" 1
309 1 24 PHE QE 1 43 CYS H 5.000 . 7.000 4.279 4.095 4.533 . 0 0 "[ . 1 . 2]" 1
310 1 24 PHE H 1 25 CYS H 5.000 . 5.000 4.363 4.158 4.422 . 0 0 "[ . 1 . 2]" 1
311 1 24 PHE H 1 29 ALA MB 3.500 . 5.000 4.077 3.966 4.182 . 0 0 "[ . 1 . 2]" 1
312 1 24 PHE H 1 25 CYS HA 5.000 . 5.000 4.824 4.654 4.924 . 0 0 "[ . 1 . 2]" 1
313 1 24 PHE HZ 1 42 GLY H 2.900 . 2.900 2.949 2.773 3.047 0.147 4 0 "[ . 1 . 2]" 1
314 1 24 PHE HZ 1 43 CYS H 3.500 . 3.500 3.409 3.127 3.574 0.074 2 0 "[ . 1 . 2]" 1
315 1 25 CYS HA 1 26 TYR H 2.900 . 2.900 2.191 2.151 2.226 . 0 0 "[ . 1 . 2]" 1
316 1 25 CYS HA 1 27 ASP H 5.000 . 5.000 3.491 3.391 3.703 . 0 0 "[ . 1 . 2]" 1
317 1 25 CYS H 1 25 CYS QB 3.500 . 4.100 2.931 2.568 2.997 . 0 0 "[ . 1 . 2]" 1
318 1 25 CYS QB 1 26 TYR H 2.900 . 3.900 3.494 3.418 3.560 . 0 0 "[ . 1 . 2]" 1
319 1 25 CYS QB 1 27 ASP H 3.500 . 4.500 2.523 2.374 2.900 . 0 0 "[ . 1 . 2]" 1
320 1 25 CYS H 1 26 TYR H 5.000 . 5.000 4.434 4.284 4.494 . 0 0 "[ . 1 . 2]" 1
321 1 25 CYS H 1 28 CYS H 5.000 . 5.000 4.462 3.989 4.757 . 0 0 "[ . 1 . 2]" 1
322 1 25 CYS H 1 29 ALA MB 5.000 . 6.500 4.489 3.489 4.932 . 0 0 "[ . 1 . 2]" 1
323 1 25 CYS H 1 29 ALA H 5.000 . 5.000 4.756 4.024 5.083 0.083 5 0 "[ . 1 . 2]" 1
324 1 26 TYR H 1 26 TYR HA 2.900 . 2.900 2.789 2.770 2.807 . 0 0 "[ . 1 . 2]" 1
325 1 26 TYR HA 1 27 ASP H 3.500 . 3.500 3.422 3.377 3.507 0.007 3 0 "[ . 1 . 2]" 1
326 1 26 TYR H 1 26 TYR QB 2.900 . 3.500 2.263 2.244 2.280 . 0 0 "[ . 1 . 2]" 1
327 1 26 TYR QB 1 27 ASP H 3.500 . 4.500 3.099 2.780 3.226 . 0 0 "[ . 1 . 2]" 1
328 1 26 TYR H 1 26 TYR QD 3.500 . 5.500 4.184 4.140 4.203 . 0 0 "[ . 1 . 2]" 1
329 1 26 TYR QD 1 27 ASP H 3.500 . 5.500 4.479 4.109 4.622 . 0 0 "[ . 1 . 2]" 1
330 1 26 TYR QD 1 52 GLN H 5.000 . 7.000 4.837 4.305 5.324 . 0 0 "[ . 1 . 2]" 1
331 1 26 TYR QD 1 53 CYS H 5.000 . 7.000 5.337 4.964 5.482 . 0 0 "[ . 1 . 2]" 1
332 1 26 TYR QE 1 27 ASP H 5.000 . 7.000 6.288 5.964 6.421 . 0 0 "[ . 1 . 2]" 1
333 1 26 TYR QE 1 52 GLN H 3.500 . 5.500 4.242 3.596 4.720 . 0 0 "[ . 1 . 2]" 1
334 1 26 TYR QE 1 53 CYS H 5.000 . 7.000 6.441 6.056 6.525 . 0 0 "[ . 1 . 2]" 1
335 1 26 TYR H 1 27 ASP H 3.500 . 3.500 2.834 2.773 2.903 . 0 0 "[ . 1 . 2]" 1
336 1 26 TYR H 1 29 ALA MB 5.000 . 6.500 4.060 3.873 4.230 . 0 0 "[ . 1 . 2]" 1
337 1 27 ASP H 1 27 ASP HA 2.900 . 2.900 2.916 2.882 2.934 0.034 8 0 "[ . 1 . 2]" 1
338 1 27 ASP HA 1 28 CYS H 3.500 . 3.500 3.536 3.497 3.571 0.071 18 0 "[ . 1 . 2]" 1
339 1 27 ASP HA 1 29 ALA H 5.000 . 5.000 4.184 4.069 4.275 . 0 0 "[ . 1 . 2]" 1
340 1 27 ASP HA 1 30 ILE H 3.500 . 3.500 3.633 3.598 3.671 0.171 5 0 "[ . 1 . 2]" 1
341 1 27 ASP H 1 27 ASP QB 2.900 . 3.500 2.322 2.104 2.938 . 0 0 "[ . 1 . 2]" 1
342 1 27 ASP QB 1 28 CYS H 2.900 . 3.900 2.593 2.325 2.957 . 0 0 "[ . 1 . 2]" 1
343 1 27 ASP H 1 28 CYS QB 5.000 . 6.000 4.613 4.241 5.156 . 0 0 "[ . 1 . 2]" 1
344 1 27 ASP H 1 28 CYS H 2.900 . 2.900 2.460 2.300 2.584 . 0 0 "[ . 1 . 2]" 1
345 1 27 ASP H 1 29 ALA MB 5.000 . 6.500 4.250 4.054 4.427 . 0 0 "[ . 1 . 2]" 1
346 1 27 ASP H 1 29 ALA H 3.500 . 3.500 3.505 3.351 3.630 0.130 11 0 "[ . 1 . 2]" 1
347 1 27 ASP H 1 30 ILE MG 5.000 . 6.500 4.765 4.635 4.919 . 0 0 "[ . 1 . 2]" 1
348 1 28 CYS H 1 28 CYS HA 2.900 . 2.900 2.925 2.918 2.935 0.035 20 0 "[ . 1 . 2]" 1
349 1 28 CYS HA 1 29 ALA H 3.500 . 3.500 3.461 3.435 3.490 . 0 0 "[ . 1 . 2]" 1
350 1 28 CYS HA 1 31 LEU H 2.900 . 2.900 3.079 2.995 3.184 0.284 17 0 "[ . 1 . 2]" 1
351 1 28 CYS H 1 28 CYS QB 2.900 . 3.500 2.488 2.175 2.978 . 0 0 "[ . 1 . 2]" 1
352 1 28 CYS QB 1 29 ALA H 2.900 . 3.900 3.273 2.909 3.552 . 0 0 "[ . 1 . 2]" 1
353 1 28 CYS H 1 29 ALA HA 5.000 . 5.000 4.988 4.946 5.024 0.024 18 0 "[ . 1 . 2]" 1
354 1 28 CYS H 1 29 ALA MB 3.500 . 5.000 3.978 3.913 4.021 . 0 0 "[ . 1 . 2]" 1
355 1 28 CYS H 1 29 ALA H 2.900 . 2.900 2.326 2.269 2.369 . 0 0 "[ . 1 . 2]" 1
356 1 28 CYS H 1 30 ILE MG 5.000 . 6.500 5.206 5.137 5.292 . 0 0 "[ . 1 . 2]" 1
357 1 28 CYS H 1 30 ILE H 5.000 . 5.000 4.051 3.928 4.172 . 0 0 "[ . 1 . 2]" 1
358 1 28 CYS H 1 31 LEU QD 5.000 . 7.400 4.175 3.810 4.483 . 0 0 "[ . 1 . 2]" 1
359 1 29 ALA H 1 29 ALA HA 2.900 . 2.900 2.875 2.856 2.886 . 0 0 "[ . 1 . 2]" 1
360 1 29 ALA HA 1 30 ILE H 3.500 . 3.500 3.545 3.511 3.556 0.056 16 0 "[ . 1 . 2]" 1
361 1 29 ALA HA 1 31 LEU H 5.000 3.300 5.000 4.467 4.322 4.583 . 0 0 "[ . 1 . 2]" 1
362 1 29 ALA HA 1 32 HIS H 3.500 . 3.500 3.582 3.522 3.675 0.175 7 0 "[ . 1 . 2]" 1
363 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.150 2.070 2.199 . 0 0 "[ . 1 . 2]" 1
364 1 29 ALA MB 1 30 ILE H 2.900 . 4.400 2.684 2.547 2.839 . 0 0 "[ . 1 . 2]" 1
365 1 29 ALA H 1 30 ILE HG12 5.000 . 5.000 4.066 3.806 4.885 . 0 0 "[ . 1 . 2]" 1
366 1 29 ALA H 1 30 ILE MG 3.500 . 5.000 4.053 3.926 4.134 . 0 0 "[ . 1 . 2]" 1
367 1 29 ALA H 1 50 ILE MG 5.000 . 6.500 4.805 4.681 5.160 . 0 0 "[ . 1 . 2]" 1
368 1 29 ALA H 1 30 ILE H 2.900 . 2.900 2.551 2.500 2.630 . 0 0 "[ . 1 . 2]" 1
369 1 29 ALA H 1 31 LEU H 5.000 . 5.000 3.889 3.813 3.955 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE H 1 30 ILE HA 2.900 . 2.900 2.921 2.900 2.943 0.043 7 0 "[ . 1 . 2]" 1
371 1 30 ILE HA 1 32 HIS H 5.000 . 5.000 3.964 3.731 4.235 . 0 0 "[ . 1 . 2]" 1
372 1 30 ILE HA 1 33 GLU H 3.500 . 3.500 3.127 2.784 3.523 0.023 5 0 "[ . 1 . 2]" 1
373 1 30 ILE HA 1 34 LYS H 5.000 . 5.000 3.870 3.758 4.024 . 0 0 "[ . 1 . 2]" 1
374 1 30 ILE H 1 30 ILE HB 3.500 . 3.500 3.644 3.631 3.657 0.157 18 0 "[ . 1 . 2]" 1
375 1 30 ILE HG13 1 31 LEU H 3.500 . 3.500 2.229 1.806 2.383 . 0 0 "[ . 1 . 2]" 1
376 1 30 ILE HG12 1 31 LEU H 3.500 . 3.500 2.736 2.355 3.565 0.065 20 0 "[ . 1 . 2]" 1
377 1 30 ILE H 1 30 ILE MG 2.900 . 4.400 2.269 2.154 2.453 . 0 0 "[ . 1 . 2]" 1
378 1 30 ILE MG 1 31 LEU H 2.900 . 4.400 3.834 3.793 3.872 . 0 0 "[ . 1 . 2]" 1
379 1 30 ILE MG 1 32 HIS H 5.000 . 6.500 5.050 4.921 5.229 . 0 0 "[ . 1 . 2]" 1
380 1 30 ILE MG 1 34 LYS H 5.000 . 6.500 5.485 5.439 5.537 . 0 0 "[ . 1 . 2]" 1
381 1 30 ILE H 1 31 LEU H 2.900 . 2.900 2.380 2.222 2.480 . 0 0 "[ . 1 . 2]" 1
382 1 30 ILE H 1 50 ILE MD 3.500 . 5.000 3.991 3.619 4.200 . 0 0 "[ . 1 . 2]" 1
383 1 31 LEU H 1 31 LEU HA 2.900 . 2.900 2.895 2.845 2.922 0.022 8 0 "[ . 1 . 2]" 1
384 1 31 LEU HA 1 32 HIS H 3.500 . 3.500 3.498 3.453 3.542 0.042 7 0 "[ . 1 . 2]" 1
385 1 31 LEU HA 1 34 LYS H 3.500 . 3.500 3.408 3.286 3.539 0.039 7 0 "[ . 1 . 2]" 1
386 1 31 LEU H 1 31 LEU QB 2.900 . 3.500 2.338 2.214 2.435 . 0 0 "[ . 1 . 2]" 1
387 1 31 LEU QB 1 32 HIS H 2.900 . 3.900 2.846 2.580 3.062 . 0 0 "[ . 1 . 2]" 1
388 1 31 LEU H 1 31 LEU QD 3.500 . 5.200 3.206 3.106 3.317 . 0 0 "[ . 1 . 2]" 1
389 1 31 LEU QD 1 32 HIS H 5.000 . 7.400 4.222 4.061 4.337 . 0 0 "[ . 1 . 2]" 1
390 1 31 LEU H 1 31 LEU HG 2.900 . 2.900 2.635 2.361 2.944 0.044 20 0 "[ . 1 . 2]" 1
391 1 31 LEU HG 1 32 HIS H 5.000 . 5.000 4.586 4.356 4.788 . 0 0 "[ . 1 . 2]" 1
392 1 31 LEU H 1 32 HIS QB 5.000 . 6.000 4.362 4.275 4.473 . 0 0 "[ . 1 . 2]" 1
393 1 31 LEU H 1 32 HIS HD2 5.000 . 5.000 4.794 4.057 5.120 0.120 7 0 "[ . 1 . 2]" 1
394 1 31 LEU H 1 32 HIS H 2.900 . 2.900 2.536 2.409 2.681 . 0 0 "[ . 1 . 2]" 1
395 1 32 HIS H 1 32 HIS HA 2.900 . 2.900 2.913 2.874 2.936 0.036 13 0 "[ . 1 . 2]" 1
396 1 32 HIS HA 1 33 GLU H 3.500 . 3.500 3.542 3.494 3.583 0.083 5 0 "[ . 1 . 2]" 1
397 1 32 HIS HA 1 34 LYS H 5.000 . 5.000 4.246 3.916 4.405 . 0 0 "[ . 1 . 2]" 1
398 1 32 HIS HA 1 35 LYS H 3.500 . 3.500 3.336 2.833 3.508 0.008 11 0 "[ . 1 . 2]" 1
399 1 32 HIS HA 1 37 ASP H 5.000 . 5.000 4.313 3.564 5.085 0.085 15 0 "[ . 1 . 2]" 1
400 1 32 HIS H 1 32 HIS QB 2.900 . 3.500 2.180 2.122 2.334 . 0 0 "[ . 1 . 2]" 1
401 1 32 HIS QB 1 33 GLU H 3.500 . 4.500 2.677 2.296 3.111 . 0 0 "[ . 1 . 2]" 1
402 1 32 HIS H 1 32 HIS HD2 3.500 . 3.500 3.221 2.645 3.514 0.014 14 0 "[ . 1 . 2]" 1
403 1 32 HIS H 1 33 GLU QB 5.000 . 6.000 4.289 3.999 4.848 . 0 0 "[ . 1 . 2]" 1
404 1 32 HIS H 1 33 GLU QG 5.000 . 6.000 4.974 3.792 5.429 . 0 0 "[ . 1 . 2]" 1
405 1 32 HIS H 1 34 LYS H 5.000 . 5.000 3.809 3.601 4.127 . 0 0 "[ . 1 . 2]" 1
406 1 32 HIS H 1 35 LYS H 5.000 . 5.000 4.512 4.340 4.680 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLU H 1 35 LYS H 5.000 . 5.000 3.925 3.621 4.147 . 0 0 "[ . 1 . 2]" 1
408 1 31 LEU H 1 33 GLU H 5.000 . 5.000 4.117 3.763 4.484 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLU H 1 33 GLU HA 2.900 . 2.900 2.884 2.815 2.919 0.019 9 0 "[ . 1 . 2]" 1
410 1 33 GLU H 1 33 GLU QB 2.900 . 3.500 2.143 2.056 2.477 . 0 0 "[ . 1 . 2]" 1
411 1 33 GLU QB 1 34 LYS H 2.900 . 3.900 3.218 2.793 3.569 . 0 0 "[ . 1 . 2]" 1
412 1 33 GLU H 1 33 GLU QG 2.900 . 3.900 3.137 2.130 3.512 . 0 0 "[ . 1 . 2]" 1
413 1 33 GLU H 1 34 LYS QD 5.000 . 6.000 5.150 4.775 5.329 . 0 0 "[ . 1 . 2]" 1
414 1 33 GLU H 1 34 LYS QG 5.000 . 6.000 4.694 4.282 5.111 . 0 0 "[ . 1 . 2]" 1
415 1 33 GLU H 1 34 LYS H 2.900 . 2.900 2.566 2.412 2.732 . 0 0 "[ . 1 . 2]" 1
416 1 33 GLU H 1 50 ILE MD 3.500 . 5.000 3.264 2.562 3.742 . 0 0 "[ . 1 . 2]" 1
417 1 34 LYS H 1 34 LYS HA 2.900 . 2.900 2.918 2.897 2.934 0.034 20 0 "[ . 1 . 2]" 1
418 1 34 LYS HA 1 35 LYS H 3.500 . 3.500 3.493 3.431 3.526 0.026 9 0 "[ . 1 . 2]" 1
419 1 33 GLU HA 1 38 LYS H 5.000 . 5.000 3.501 2.384 4.776 . 0 0 "[ . 1 . 2]" 1
420 1 34 LYS H 1 34 LYS QB 2.900 . 3.500 2.269 2.163 2.423 . 0 0 "[ . 1 . 2]" 1
421 1 34 LYS H 1 34 LYS QD 3.500 . 4.500 3.532 3.255 3.772 . 0 0 "[ . 1 . 2]" 1
422 1 34 LYS H 1 34 LYS QE 5.000 . 6.000 4.975 4.566 5.386 . 0 0 "[ . 1 . 2]" 1
423 1 34 LYS H 1 34 LYS QG 2.900 . 3.900 2.739 2.403 3.007 . 0 0 "[ . 1 . 2]" 1
424 1 34 LYS H 1 35 LYS HA 5.000 . 5.000 5.088 5.045 5.144 0.144 5 0 "[ . 1 . 2]" 1
425 1 34 LYS H 1 35 LYS H 2.900 . 2.900 2.412 2.364 2.470 . 0 0 "[ . 1 . 2]" 1
426 1 34 LYS H 1 36 GLY H 5.000 . 5.000 4.260 3.631 4.985 . 0 0 "[ . 1 . 2]" 1
427 1 34 LYS H 1 50 ILE MD 5.000 . 6.500 4.843 4.535 5.212 . 0 0 "[ . 1 . 2]" 1
428 1 35 LYS H 1 35 LYS HA 2.900 . 2.900 2.909 2.863 2.919 0.019 18 0 "[ . 1 . 2]" 1
429 1 35 LYS HA 1 36 GLY H 3.500 . 3.500 3.416 3.049 3.564 0.064 12 0 "[ . 1 . 2]" 1
430 1 35 LYS HA 1 37 ASP H 5.000 . 5.000 5.043 4.728 5.187 0.187 4 0 "[ . 1 . 2]" 1
431 1 35 LYS H 1 35 LYS QB 2.900 . 3.500 2.265 2.133 2.397 . 0 0 "[ . 1 . 2]" 1
432 1 35 LYS QB 1 36 GLY H 3.500 . 4.500 2.788 1.939 3.699 . 0 0 "[ . 1 . 2]" 1
433 1 35 LYS H 1 35 LYS QD 3.500 . 4.500 3.772 2.917 4.158 . 0 0 "[ . 1 . 2]" 1
434 1 35 LYS H 1 35 LYS QG 3.500 . 4.500 3.096 2.340 4.082 . 0 0 "[ . 1 . 2]" 1
435 1 35 LYS QG 1 36 GLY H 5.000 . 6.000 4.195 3.738 4.530 . 0 0 "[ . 1 . 2]" 1
436 1 35 LYS H 1 36 GLY H 2.900 . 2.900 2.669 2.413 2.969 0.069 4 0 "[ . 1 . 2]" 1
437 1 36 GLY QA 1 37 ASP H 2.900 . 3.900 2.768 2.629 2.846 . 0 0 "[ . 1 . 2]" 1
438 1 36 GLY QA 1 38 LYS H 3.500 . 4.500 3.550 3.009 3.886 . 0 0 "[ . 1 . 2]" 1
439 1 36 GLY H 1 37 ASP H 2.900 . 2.900 2.180 1.773 2.907 0.027 16 0 "[ . 1 . 2]" 1
440 1 36 GLY H 1 38 LYS H 5.000 . 5.000 4.407 3.921 5.039 0.039 17 0 "[ . 1 . 2]" 1
441 1 37 ASP H 1 37 ASP HA 2.900 . 2.900 2.723 2.353 2.983 0.083 5 0 "[ . 1 . 2]" 1
442 1 37 ASP HA 1 38 LYS H 3.500 . 3.500 2.996 2.578 3.560 0.060 9 0 "[ . 1 . 2]" 1
443 1 37 ASP HA 1 39 MET H 5.000 . 5.000 3.934 3.009 5.055 0.055 2 0 "[ . 1 . 2]" 1
444 1 37 ASP H 1 37 ASP QB 2.900 . 3.500 2.740 2.135 3.087 . 0 0 "[ . 1 . 2]" 1
445 1 37 ASP QB 1 38 LYS H 5.000 . 6.000 3.563 2.467 3.973 . 0 0 "[ . 1 . 2]" 1
446 1 37 ASP QB 1 39 MET H 5.000 . 6.000 4.012 2.208 5.473 . 0 0 "[ . 1 . 2]" 1
447 1 37 ASP H 1 38 LYS QB 5.000 . 6.000 4.915 4.542 5.370 . 0 0 "[ . 1 . 2]" 1
448 1 37 ASP H 1 38 LYS QG 3.500 . 4.500 3.912 3.282 4.139 . 0 0 "[ . 1 . 2]" 1
449 1 37 ASP H 1 38 LYS H 2.900 . 2.900 2.699 2.244 2.991 0.091 20 0 "[ . 1 . 2]" 1
450 1 38 LYS H 1 38 LYS HA 2.900 . 2.900 2.774 2.331 2.935 0.035 16 0 "[ . 1 . 2]" 1
451 1 38 LYS HA 1 39 MET H 3.500 . 3.500 2.936 2.501 3.235 . 0 0 "[ . 1 . 2]" 1
452 1 38 LYS HA 1 47 VAL H 5.000 . 5.000 4.041 2.598 5.029 0.029 11 0 "[ . 1 . 2]" 1
453 1 38 LYS QB 1 47 VAL H 5.000 . 5.000 3.947 3.546 4.285 . 0 0 "[ . 1 . 2]" 1
454 1 38 LYS H 1 38 LYS QB 2.900 . 3.500 3.102 2.805 3.386 . 0 0 "[ . 1 . 2]" 1
455 1 38 LYS QB 1 39 MET H 3.500 . 4.500 3.959 3.742 4.051 . 0 0 "[ . 1 . 2]" 1
456 1 38 LYS H 1 38 LYS QE 5.000 . 6.000 4.204 3.323 5.239 . 0 0 "[ . 1 . 2]" 1
457 1 38 LYS QE 1 39 MET H 5.000 . 6.000 5.132 4.504 5.488 . 0 0 "[ . 1 . 2]" 1
458 1 38 LYS QG 1 39 MET H 3.500 . 4.500 3.645 3.135 4.294 . 0 0 "[ . 1 . 2]" 1
459 1 38 LYS QG 1 47 VAL H 5.000 . 6.000 5.136 4.696 5.441 . 0 0 "[ . 1 . 2]" 1
460 1 38 LYS H 1 39 MET QG 5.000 . 6.000 4.002 2.638 5.209 . 0 0 "[ . 1 . 2]" 1
461 1 38 LYS H 1 39 MET H 2.900 . 2.900 2.625 1.782 3.123 0.223 20 0 "[ . 1 . 2]" 1
462 1 39 MET H 1 39 MET HA 2.900 . 2.900 2.963 2.944 2.981 0.081 8 0 "[ . 1 . 2]" 1
463 1 39 MET HA 1 40 CYS H 2.900 . 2.900 2.214 2.102 2.440 . 0 0 "[ . 1 . 2]" 1
464 1 39 MET HA 1 45 ASP H 5.000 . 5.000 3.614 2.279 4.103 . 0 0 "[ . 1 . 2]" 1
465 1 39 MET HA 1 47 VAL H 2.900 . 2.900 2.788 2.134 3.031 0.131 10 0 "[ . 1 . 2]" 1
466 1 39 MET H 1 39 MET QB 2.900 . 3.500 2.791 2.164 3.213 . 0 0 "[ . 1 . 2]" 1
467 1 39 MET QB 1 40 CYS H 2.900 . 3.900 3.200 2.653 3.466 . 0 0 "[ . 1 . 2]" 1
468 1 39 MET QB 1 44 SER H 5.000 . 6.000 4.474 4.146 4.923 . 0 0 "[ . 1 . 2]" 1
469 1 39 MET QB 1 45 ASP H 5.000 . 6.000 3.957 2.938 4.830 . 0 0 "[ . 1 . 2]" 1
470 1 39 MET ME 1 40 CYS H 5.000 . 6.500 5.074 4.518 5.471 . 0 0 "[ . 1 . 2]" 1
471 1 39 MET H 1 39 MET QG 3.500 . 4.500 2.738 2.088 3.876 . 0 0 "[ . 1 . 2]" 1
472 1 39 MET QG 1 40 CYS H 3.500 . 4.500 3.661 2.490 4.107 . 0 0 "[ . 1 . 2]" 1
473 1 39 MET H 1 40 CYS H 5.000 . 5.000 4.311 4.049 4.595 . 0 0 "[ . 1 . 2]" 1
474 1 39 MET H 1 47 VAL QG 3.500 . 5.900 2.896 2.191 3.834 . 0 0 "[ . 1 . 2]" 1
475 1 39 MET H 1 47 VAL H 5.000 . 5.000 4.269 3.306 5.002 0.002 11 0 "[ . 1 . 2]" 1
476 1 40 CYS H 1 40 CYS HA 2.900 . 2.900 2.834 2.700 2.971 0.071 4 0 "[ . 1 . 2]" 1
477 1 40 CYS HA 1 42 GLY H 5.000 . 5.000 3.805 3.410 4.408 . 0 0 "[ . 1 . 2]" 1
478 1 40 CYS HA 1 43 CYS H 5.000 . 5.000 4.530 4.092 5.024 0.024 10 0 "[ . 1 . 2]" 1
479 1 40 CYS HA 1 44 SER H 5.000 . 5.000 4.094 3.897 4.448 . 0 0 "[ . 1 . 2]" 1
480 1 40 CYS H 1 40 CYS QB 2.900 . 3.500 2.184 2.081 2.324 . 0 0 "[ . 1 . 2]" 1
481 1 40 CYS QB 1 42 GLY H 3.500 . 4.500 3.280 2.917 3.973 . 0 0 "[ . 1 . 2]" 1
482 1 40 CYS QB 1 43 CYS H 2.900 . 3.900 2.379 1.781 3.234 0.019 3 0 "[ . 1 . 2]" 1
483 1 40 CYS QB 1 44 SER H 2.900 . 3.900 2.004 1.701 2.582 0.099 8 0 "[ . 1 . 2]" 1
484 1 40 CYS QB 1 45 ASP H 2.900 . 3.900 1.937 1.720 2.907 0.080 6 0 "[ . 1 . 2]" 1
485 1 40 CYS H 1 43 CYS H 5.000 . 5.000 4.979 4.721 5.079 0.079 3 0 "[ . 1 . 2]" 1
486 1 40 CYS H 1 46 PRO HA 5.000 . 5.000 4.812 4.381 5.093 0.093 10 0 "[ . 1 . 2]" 1
487 1 40 CYS H 1 44 SER H 5.000 . 5.000 3.457 2.983 3.880 . 0 0 "[ . 1 . 2]" 1
488 1 40 CYS H 1 45 ASP H 2.900 . 2.900 2.064 1.728 2.355 0.072 10 0 "[ . 1 . 2]" 1
489 1 40 CYS H 1 47 VAL QG 2.900 . 5.300 2.340 1.880 2.677 . 0 0 "[ . 1 . 2]" 1
490 1 40 CYS H 1 47 VAL H 3.500 . 3.500 3.480 3.204 3.654 0.154 4 0 "[ . 1 . 2]" 1
491 1 41 PRO HA 1 42 GLY H 3.500 . 3.500 3.500 3.424 3.576 0.076 6 0 "[ . 1 . 2]" 1
492 1 41 PRO QB 1 42 GLY H 3.500 . 4.500 2.923 2.397 3.221 . 0 0 "[ . 1 . 2]" 1
493 1 41 PRO QD 1 42 GLY H 3.500 . 4.500 3.007 2.731 3.475 . 0 0 "[ . 1 . 2]" 1
494 1 41 PRO QD 1 43 CYS H 5.000 . 6.000 4.572 3.779 5.032 . 0 0 "[ . 1 . 2]" 1
495 1 41 PRO QG 1 42 GLY H 3.500 . 4.500 3.969 3.653 4.113 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLY QA 1 43 CYS H 2.900 . 3.900 2.670 2.496 2.873 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLY QA 1 44 SER H 5.000 . 6.000 4.034 3.714 4.324 . 0 0 "[ . 1 . 2]" 1
498 1 42 GLY H 1 43 CYS HA 5.000 . 5.000 5.003 4.712 5.131 0.131 10 0 "[ . 1 . 2]" 1
499 1 42 GLY H 1 43 CYS QB 5.000 . 6.000 4.709 4.454 4.977 . 0 0 "[ . 1 . 2]" 1
500 1 42 GLY H 1 43 CYS H 2.900 . 2.900 2.351 1.918 2.577 . 0 0 "[ . 1 . 2]" 1
501 1 42 GLY H 1 44 SER H 3.500 . 3.500 3.322 3.097 3.551 0.051 4 0 "[ . 1 . 2]" 1
502 1 43 CYS H 1 44 SER HA 5.000 . 5.000 4.583 4.075 4.864 . 0 0 "[ . 1 . 2]" 1
503 1 43 CYS H 1 43 CYS HA 2.900 . 2.900 2.947 2.867 2.992 0.092 8 0 "[ . 1 . 2]" 1
504 1 43 CYS HA 1 44 SER H 3.500 . 3.500 3.459 3.268 3.539 0.039 10 0 "[ . 1 . 2]" 1
505 1 43 CYS H 1 43 CYS QB 2.900 . 3.500 2.706 2.431 2.893 . 0 0 "[ . 1 . 2]" 1
506 1 43 CYS QB 1 44 SER H 3.500 . 4.500 2.976 2.452 3.488 . 0 0 "[ . 1 . 2]" 1
507 1 43 CYS QB 1 45 ASP H 5.000 . 6.000 3.041 2.537 4.141 . 0 0 "[ . 1 . 2]" 1
508 1 43 CYS H 1 44 SER H 2.900 . 2.900 2.282 1.858 2.625 . 0 0 "[ . 1 . 2]" 1
509 1 43 CYS H 1 45 ASP H 5.000 . 5.000 4.244 3.786 5.052 0.052 2 0 "[ . 1 . 2]" 1
510 1 44 SER H 1 44 SER HA 2.900 . 2.900 2.351 2.337 2.362 . 0 0 "[ . 1 . 2]" 1
511 1 44 SER HA 1 45 ASP H 3.500 . 3.500 2.763 2.351 2.903 . 0 0 "[ . 1 . 2]" 1
512 1 44 SER H 1 44 SER QB 2.900 . 3.500 3.010 2.862 3.138 . 0 0 "[ . 1 . 2]" 1
513 1 44 SER QB 1 45 ASP H 3.500 . 4.500 3.984 3.839 4.101 . 0 0 "[ . 1 . 2]" 1
514 1 44 SER H 1 45 ASP H 3.500 . 3.500 2.720 2.518 2.940 . 0 0 "[ . 1 . 2]" 1
515 1 44 SER H 1 47 VAL QG 5.000 . 7.400 4.852 4.558 5.023 . 0 0 "[ . 1 . 2]" 1
516 1 45 ASP H 1 45 ASP HA 2.900 . 2.900 2.951 2.806 2.986 0.086 8 0 "[ . 1 . 2]" 1
517 1 45 ASP H 1 45 ASP QB 2.900 . 3.500 2.378 2.130 3.082 . 0 0 "[ . 1 . 2]" 1
518 1 45 ASP QB 1 47 VAL H 5.000 . 6.000 4.571 4.022 5.220 . 0 0 "[ . 1 . 2]" 1
519 1 45 ASP H 1 46 PRO QD 5.000 . 6.000 4.127 1.752 4.405 0.048 10 0 "[ . 1 . 2]" 1
520 1 45 ASP H 1 47 VAL QG 3.500 . 5.900 3.708 3.519 3.853 . 0 0 "[ . 1 . 2]" 1
521 1 46 PRO HA 1 47 VAL H 2.900 . 2.900 2.445 2.270 2.887 . 0 0 "[ . 1 . 2]" 1
522 1 46 PRO QB 1 47 VAL H 3.500 . 4.500 3.900 3.724 4.077 . 0 0 "[ . 1 . 2]" 1
523 1 47 VAL H 1 47 VAL HA 2.900 . 2.900 2.838 2.773 2.976 0.076 2 0 "[ . 1 . 2]" 1
524 1 47 VAL HB 1 48 GLN H 5.000 . 5.000 4.217 3.697 4.529 . 0 0 "[ . 1 . 2]" 1
525 1 47 VAL H 1 47 VAL QG 2.900 . 4.600 2.006 1.704 2.966 0.096 19 0 "[ . 1 . 2]" 1
526 1 47 VAL QG 1 48 GLN H 2.900 . 5.300 3.334 2.812 3.741 . 0 0 "[ . 1 . 2]" 1
527 1 47 VAL QG 1 49 ARG H 2.900 . 5.300 3.572 3.303 3.944 . 0 0 "[ . 1 . 2]" 1
528 1 47 VAL QG 1 50 ILE H 3.500 . 5.900 3.575 3.359 4.075 . 0 0 "[ . 1 . 2]" 1
529 1 47 VAL H 1 48 GLN H 5.000 . 5.000 4.359 4.245 4.448 . 0 0 "[ . 1 . 2]" 1
530 1 48 GLN H 1 48 GLN HA 2.900 . 2.900 2.853 2.770 2.976 0.076 10 0 "[ . 1 . 2]" 1
531 1 48 GLN HA 1 49 ARG H 3.500 . 3.500 3.570 3.549 3.589 0.089 4 0 "[ . 1 . 2]" 1
532 1 47 VAL HA 1 49 ARG H 5.000 . 5.000 4.224 3.914 4.453 . 0 0 "[ . 1 . 2]" 1
533 1 48 GLN QB 1 49 ARG H 2.900 . 3.900 2.226 2.030 2.337 . 0 0 "[ . 1 . 2]" 1
534 1 48 GLN QG 1 49 ARG H 3.500 . 4.500 3.229 2.675 4.152 . 0 0 "[ . 1 . 2]" 1
535 1 48 GLN H 1 49 ARG HA 5.000 . 5.000 5.085 4.665 5.217 0.217 17 0 "[ . 1 . 2]" 1
536 1 48 GLN H 1 49 ARG H 3.500 . 3.500 2.839 2.460 3.006 . 0 0 "[ . 1 . 2]" 1
537 1 49 ARG H 1 49 ARG HA 2.900 . 2.900 2.932 2.892 2.966 0.066 2 0 "[ . 1 . 2]" 1
538 1 49 ARG HA 1 50 ILE H 2.900 . 2.900 2.207 2.160 2.250 . 0 0 "[ . 1 . 2]" 1
539 1 49 ARG H 1 49 ARG QB 3.500 . 4.100 2.992 2.677 3.370 . 0 0 "[ . 1 . 2]" 1
540 1 49 ARG QB 1 50 ILE H 2.900 . 3.900 3.397 3.248 3.502 . 0 0 "[ . 1 . 2]" 1
541 1 49 ARG QD 1 50 ILE H 5.000 . 6.000 5.118 4.506 5.461 . 0 0 "[ . 1 . 2]" 1
542 1 49 ARG H 1 49 ARG QG 2.900 . 3.900 3.019 2.271 3.497 . 0 0 "[ . 1 . 2]" 1
543 1 49 ARG QG 1 50 ILE H 5.000 . 6.000 3.541 2.708 4.659 . 0 0 "[ . 1 . 2]" 1
544 1 49 ARG H 1 50 ILE HA 5.000 . 5.000 4.513 4.394 4.590 . 0 0 "[ . 1 . 2]" 1
545 1 49 ARG H 1 50 ILE H 5.000 . 5.000 4.201 4.070 4.311 . 0 0 "[ . 1 . 2]" 1
546 1 50 ILE H 1 50 ILE HA 2.900 . 2.900 2.933 2.891 2.959 0.059 3 0 "[ . 1 . 2]" 1
547 1 50 ILE HA 1 51 GLU H 2.900 . 2.900 2.212 2.188 2.236 . 0 0 "[ . 1 . 2]" 1
548 1 50 ILE H 1 50 ILE HB 3.500 . 3.500 2.796 2.700 2.868 . 0 0 "[ . 1 . 2]" 1
549 1 50 ILE HB 1 51 GLU H 3.500 . 3.500 3.623 3.583 3.669 0.169 12 0 "[ . 1 . 2]" 1
550 1 50 ILE H 1 50 ILE MD 2.900 . 4.400 3.627 3.518 3.779 . 0 0 "[ . 1 . 2]" 1
551 1 50 ILE MD 1 51 GLU H 5.000 . 6.500 4.820 4.681 4.888 . 0 0 "[ . 1 . 2]" 1
552 1 50 ILE H 1 50 ILE HG13 3.500 . 3.500 1.925 1.775 2.132 0.025 17 0 "[ . 1 . 2]" 1
553 1 50 ILE HG13 1 51 GLU H 5.000 . 5.000 5.107 5.076 5.140 0.140 3 0 "[ . 1 . 2]" 1
554 1 50 ILE H 1 50 ILE HG12 2.900 . 2.900 2.927 2.829 2.995 0.095 1 0 "[ . 1 . 2]" 1
555 1 50 ILE MG 1 51 GLU H 5.000 . 6.500 2.048 1.920 2.227 . 0 0 "[ . 1 . 2]" 1
556 1 50 ILE HG12 1 51 GLU H 5.000 . 5.000 4.611 4.481 4.700 . 0 0 "[ . 1 . 2]" 1
557 1 50 ILE MG 1 52 GLN H 5.000 . 6.500 4.950 4.671 5.124 . 0 0 "[ . 1 . 2]" 1
558 1 50 ILE H 1 51 GLU QG 3.500 . 4.500 4.157 4.108 4.219 . 0 0 "[ . 1 . 2]" 1
559 1 50 ILE H 1 51 GLU H 5.000 . 5.000 4.556 4.529 4.586 . 0 0 "[ . 1 . 2]" 1
560 1 51 GLU H 1 51 GLU HA 2.900 . 2.900 2.971 2.966 2.977 0.077 3 0 "[ . 1 . 2]" 1
561 1 51 GLU HA 1 52 GLN H 2.900 . 2.900 2.262 2.180 2.378 . 0 0 "[ . 1 . 2]" 1
562 1 51 GLU H 1 51 GLU QB 2.900 . 3.500 2.804 2.762 2.905 . 0 0 "[ . 1 . 2]" 1
563 1 51 GLU H 1 51 GLU QG 2.900 . 3.900 2.754 2.626 2.904 . 0 0 "[ . 1 . 2]" 1
564 1 51 GLU QG 1 52 GLN H 3.500 . 4.500 4.105 4.051 4.171 . 0 0 "[ . 1 . 2]" 1
565 1 51 GLU H 1 52 GLN H 5.000 . 5.000 4.404 4.343 4.460 . 0 0 "[ . 1 . 2]" 1
566 1 52 GLN H 1 52 GLN HA 2.900 . 2.900 2.954 2.930 2.983 0.083 6 0 "[ . 1 . 2]" 1
567 1 52 GLN HA 1 53 CYS H 2.900 . 2.900 2.256 2.203 2.316 . 0 0 "[ . 1 . 2]" 1
568 1 52 GLN H 1 52 GLN QB 2.900 . 3.500 2.449 2.207 2.673 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLN QB 1 53 CYS H 3.500 . 4.500 3.018 2.875 3.166 . 0 0 "[ . 1 . 2]" 1
570 1 52 GLN H 1 52 GLN QG 3.500 . 4.500 2.463 2.053 3.169 . 0 0 "[ . 1 . 2]" 1
571 1 52 GLN QG 1 53 CYS H 3.500 . 4.500 3.544 3.177 3.916 . 0 0 "[ . 1 . 2]" 1
572 1 52 GLN H 1 53 CYS H 5.000 . 5.000 4.586 4.509 4.630 . 0 0 "[ . 1 . 2]" 1
573 1 53 CYS H 1 53 CYS HA 2.900 . 2.900 2.961 2.945 2.982 0.082 11 0 "[ . 1 . 2]" 1
574 1 53 CYS HA 1 54 THR H 2.900 . 2.900 2.413 2.327 2.481 . 0 0 "[ . 1 . 2]" 1
575 1 53 CYS H 1 53 CYS QB 2.900 . 3.500 2.633 2.561 2.699 . 0 0 "[ . 1 . 2]" 1
576 1 53 CYS QB 1 54 THR H 3.500 . 4.500 2.746 2.542 3.117 . 0 0 "[ . 1 . 2]" 1
577 1 53 CYS H 1 54 THR H 5.000 . 5.000 4.439 4.420 4.471 . 0 0 "[ . 1 . 2]" 1
578 1 53 CYS H 1 58 LEU QD 5.000 . 7.400 4.949 4.404 5.204 . 0 0 "[ . 1 . 2]" 1
579 1 54 THR H 1 54 THR HA 2.900 . 2.900 2.931 2.910 2.971 0.071 4 0 "[ . 1 . 2]" 1
580 1 54 THR HA 1 55 ARG H 2.900 . 2.900 2.404 2.349 2.489 . 0 0 "[ . 1 . 2]" 1
581 1 54 THR H 1 54 THR HB 3.500 . 3.500 3.285 3.152 3.389 . 0 0 "[ . 1 . 2]" 1
582 1 54 THR HB 1 55 ARG H 2.900 . 2.900 2.877 2.741 2.920 0.020 9 0 "[ . 1 . 2]" 1
583 1 54 THR H 1 54 THR MG 2.900 . 4.400 3.384 3.235 3.590 . 0 0 "[ . 1 . 2]" 1
584 1 54 THR MG 1 55 ARG H 3.500 . 5.000 2.664 2.309 2.995 . 0 0 "[ . 1 . 2]" 1
585 1 54 THR MG 1 57 SER H 5.000 . 6.500 4.897 4.582 5.477 . 0 0 "[ . 1 . 2]" 1
586 1 54 THR H 1 55 ARG H 5.000 . 5.000 4.633 4.587 4.658 . 0 0 "[ . 1 . 2]" 1
587 1 54 THR H 1 57 SER QB 5.000 . 6.000 2.434 1.958 3.451 . 0 0 "[ . 1 . 2]" 1
588 1 55 ARG H 1 55 ARG HA 2.900 . 2.900 2.837 2.778 2.938 0.038 3 0 "[ . 1 . 2]" 1
589 1 55 ARG HA 1 57 SER H 3.500 . 3.500 3.552 3.361 3.735 0.235 3 0 "[ . 1 . 2]" 1
590 1 55 ARG HA 1 58 LEU H 5.000 . 5.000 4.631 3.706 4.968 . 0 0 "[ . 1 . 2]" 1
591 1 55 ARG H 1 55 ARG QB 2.900 . 3.500 2.506 2.231 2.845 . 0 0 "[ . 1 . 2]" 1
592 1 55 ARG QB 1 57 SER H 5.000 . 6.000 4.465 4.104 5.221 . 0 0 "[ . 1 . 2]" 1
593 1 55 ARG H 1 55 ARG QD 5.000 . 6.000 4.187 3.335 5.029 . 0 0 "[ . 1 . 2]" 1
594 1 55 ARG H 1 55 ARG QG 3.500 . 4.500 2.747 1.726 4.021 0.074 4 0 "[ . 1 . 2]" 1
595 1 55 ARG H 1 56 GLY H 3.500 . 3.500 3.113 2.731 3.704 0.204 3 0 "[ . 1 . 2]" 1
596 1 56 GLY QA 1 57 SER H 2.900 . 3.900 2.881 2.836 2.950 . 0 0 "[ . 1 . 2]" 1
597 1 56 GLY QA 1 58 LEU H 5.000 . 6.000 3.567 3.233 3.978 . 0 0 "[ . 1 . 2]" 1
598 1 56 GLY H 1 57 SER H 3.500 . 3.500 2.766 1.582 3.156 0.218 3 0 "[ . 1 . 2]" 1
599 1 57 SER H 1 57 SER HA 2.900 . 2.900 2.952 2.927 2.980 0.080 4 0 "[ . 1 . 2]" 1
600 1 57 SER HA 1 58 LEU H 3.500 . 3.500 3.460 3.344 3.526 0.026 8 0 "[ . 1 . 2]" 1
601 1 57 SER H 1 57 SER QB 2.900 . 3.500 2.396 2.254 2.771 . 0 0 "[ . 1 . 2]" 1
602 1 57 SER QB 1 58 LEU H 3.500 . 4.500 2.965 2.655 3.653 . 0 0 "[ . 1 . 2]" 1
603 1 57 SER H 1 58 LEU HA 5.000 . 5.000 5.025 4.907 5.097 0.097 10 0 "[ . 1 . 2]" 1
604 1 57 SER H 1 58 LEU QB 5.000 . 6.000 4.693 4.288 4.907 . 0 0 "[ . 1 . 2]" 1
605 1 57 SER H 1 58 LEU QD 5.000 . 7.400 3.926 3.627 4.155 . 0 0 "[ . 1 . 2]" 1
606 1 57 SER H 1 58 LEU HG 3.500 . 3.500 3.535 3.368 3.599 0.099 16 0 "[ . 1 . 2]" 1
607 1 57 SER H 1 58 LEU H 2.900 . 2.900 2.264 2.137 2.353 . 0 0 "[ . 1 . 2]" 1
608 1 58 LEU HA 1 59 PHE H 2.900 . 2.900 2.515 2.435 2.548 . 0 0 "[ . 1 . 2]" 1
609 1 58 LEU HA 1 71 TYR H 5.000 . 5.000 3.774 3.515 4.043 . 0 0 "[ . 1 . 2]" 1
610 1 58 LEU H 1 58 LEU QB 2.900 . 3.500 2.801 2.666 3.007 . 0 0 "[ . 1 . 2]" 1
611 1 58 LEU QB 1 59 PHE H 2.900 . 3.900 2.383 2.330 2.486 . 0 0 "[ . 1 . 2]" 1
612 1 58 LEU QB 1 71 TYR H 3.500 . 4.500 2.524 2.216 2.765 . 0 0 "[ . 1 . 2]" 1
613 1 58 LEU H 1 58 LEU QD 3.500 . 5.200 2.948 2.516 3.426 . 0 0 "[ . 1 . 2]" 1
614 1 58 LEU QD 1 59 PHE H 2.900 . 5.300 3.634 3.460 3.795 . 0 0 "[ . 1 . 2]" 1
615 1 58 LEU QD 1 71 TYR H 3.500 . 5.900 3.600 3.280 3.751 . 0 0 "[ . 1 . 2]" 1
616 1 58 LEU QD 1 72 LEU H 5.000 . 7.400 4.573 4.259 4.894 . 0 0 "[ . 1 . 2]" 1
617 1 58 LEU H 1 58 LEU HG 2.900 . 2.900 2.238 1.931 2.725 . 0 0 "[ . 1 . 2]" 1
618 1 58 LEU HG 1 59 PHE H 5.000 . 5.000 4.901 4.851 4.998 . 0 0 "[ . 1 . 2]" 1
619 1 58 LEU H 1 59 PHE H 5.000 . 5.000 4.513 4.451 4.559 . 0 0 "[ . 1 . 2]" 1
620 1 59 PHE H 1 59 PHE HA 2.900 . 2.900 2.991 2.981 2.997 0.097 7 0 "[ . 1 . 2]" 1
621 1 59 PHE HA 1 60 MET H 2.900 . 2.900 2.191 2.181 2.208 . 0 0 "[ . 1 . 2]" 1
622 1 59 PHE HA 1 71 TYR H 5.000 . 5.000 4.691 4.363 4.842 . 0 0 "[ . 1 . 2]" 1
623 1 59 PHE H 1 59 PHE QB 2.900 . 3.500 2.591 2.356 2.727 . 0 0 "[ . 1 . 2]" 1
624 1 59 PHE QB 1 60 MET H 3.500 . 4.500 3.439 3.222 3.853 . 0 0 "[ . 1 . 2]" 1
625 1 59 PHE QB 1 77 LEU H 5.000 . 6.000 4.655 4.351 4.946 . 0 0 "[ . 1 . 2]" 1
626 1 59 PHE QB 1 71 TYR H 5.000 . 6.000 3.480 3.231 3.840 . 0 0 "[ . 1 . 2]" 1
627 1 59 PHE H 1 59 PHE QD 2.900 . 4.900 2.509 1.981 4.327 . 0 0 "[ . 1 . 2]" 1
628 1 59 PHE QD 1 60 MET H 3.500 . 5.500 4.409 2.938 4.813 . 0 0 "[ . 1 . 2]" 1
629 1 59 PHE QD 1 71 TYR H 3.500 . 5.500 3.791 3.046 5.271 . 0 0 "[ . 1 . 2]" 1
630 1 59 PHE QD 1 77 LEU QD 3.500 2.400 7.000 3.479 2.298 3.783 0.102 18 0 "[ . 1 . 2]" 1
631 1 59 PHE QD 1 74 GLN H 5.000 . 7.000 4.200 3.830 4.553 . 0 0 "[ . 1 . 2]" 1
632 1 59 PHE H 1 70 THR HA 5.000 . 5.000 3.772 3.244 4.304 . 0 0 "[ . 1 . 2]" 1
633 1 59 PHE H 1 70 THR HB 3.500 . 3.500 3.613 3.534 3.676 0.176 15 0 "[ . 1 . 2]" 1
634 1 59 PHE H 1 70 THR MG 3.500 . 5.000 2.948 2.565 3.769 . 0 0 "[ . 1 . 2]" 1
635 1 59 PHE H 1 71 TYR HA 5.000 . 5.000 4.570 4.332 4.712 . 0 0 "[ . 1 . 2]" 1
636 1 59 PHE H 1 71 TYR QB 5.000 . 6.000 3.651 3.136 3.879 . 0 0 "[ . 1 . 2]" 1
637 1 59 PHE H 1 71 TYR H 2.900 . 2.900 2.042 1.779 2.246 0.021 7 0 "[ . 1 . 2]" 1
638 1 59 PHE H 1 72 LEU HA 5.000 . 5.000 4.248 4.006 4.579 . 0 0 "[ . 1 . 2]" 1
639 1 59 PHE H 1 72 LEU QD 5.000 . 7.400 4.603 4.340 4.774 . 0 0 "[ . 1 . 2]" 1
640 1 59 PHE H 1 72 LEU H 5.000 . 5.000 5.061 4.981 5.116 0.116 7 0 "[ . 1 . 2]" 1
641 1 59 PHE H 1 77 LEU QD 5.000 . 8.000 4.035 3.562 4.507 . 0 0 "[ . 1 . 2]" 1
642 1 60 MET HA 1 61 CYS H 3.500 . 3.500 2.253 2.235 2.267 . 0 0 "[ . 1 . 2]" 1
643 1 60 MET HA 1 70 THR H 5.000 . 5.000 4.740 3.921 5.038 0.038 20 0 "[ . 1 . 2]" 1
644 1 60 MET HA 1 71 TYR H 5.000 . 5.000 4.691 4.322 4.987 . 0 0 "[ . 1 . 2]" 1
645 1 60 MET H 1 60 MET QB 2.900 . 3.500 2.395 2.145 3.025 . 0 0 "[ . 1 . 2]" 1
646 1 60 MET H 1 60 MET ME 5.000 . 6.500 4.475 3.532 5.396 . 0 0 "[ . 1 . 2]" 1
647 1 60 MET H 1 60 MET QG 3.500 . 4.500 2.757 1.721 4.066 0.079 3 0 "[ . 1 . 2]" 1
648 1 60 MET QG 1 61 CYS H 5.000 . 6.000 3.880 2.391 4.501 . 0 0 "[ . 1 . 2]" 1
649 1 60 MET H 1 70 THR HA 5.000 . 5.000 4.742 3.837 5.049 0.049 2 0 "[ . 1 . 2]" 1
650 1 60 MET H 1 70 THR MG 3.500 . 5.000 3.472 3.310 3.854 . 0 0 "[ . 1 . 2]" 1
651 1 61 CYS HA 1 62 SER H 3.500 . 3.500 2.252 2.196 2.281 . 0 0 "[ . 1 . 2]" 1
652 1 61 CYS HA 1 63 ILE H 5.000 . 5.000 4.357 3.361 5.032 0.032 18 0 "[ . 1 . 2]" 1
653 1 61 CYS H 1 61 CYS QB 3.500 . 4.100 2.273 2.088 2.383 . 0 0 "[ . 1 . 2]" 1
654 1 61 CYS QB 1 69 ARG H 2.900 . 3.900 3.067 2.161 3.653 . 0 0 "[ . 1 . 2]" 1
655 1 61 CYS H 1 69 ARG H 5.000 . 5.000 4.228 2.595 4.984 . 0 0 "[ . 1 . 2]" 1
656 1 61 CYS H 1 70 THR HA 5.000 . 5.000 3.916 3.567 4.352 . 0 0 "[ . 1 . 2]" 1
657 1 61 CYS H 1 77 LEU QD 5.000 . 7.400 3.373 2.784 4.315 . 0 0 "[ . 1 . 2]" 1
658 1 62 SER HA 1 63 ILE H 3.500 . 3.500 2.995 2.425 3.572 0.072 4 0 "[ . 1 . 2]" 1
659 1 62 SER H 1 63 ILE H 3.500 . 3.500 2.872 2.058 3.372 . 0 0 "[ . 1 . 2]" 1
660 1 63 ILE H 1 63 ILE HB 2.900 . 2.900 2.602 2.440 2.925 0.025 13 0 "[ . 1 . 2]" 1
661 1 63 ILE H 1 63 ILE HG13 5.000 . 5.000 2.967 1.973 3.908 . 0 0 "[ . 1 . 2]" 1
662 1 63 ILE H 1 63 ILE HG12 3.500 . 3.500 3.021 2.162 3.577 0.077 17 0 "[ . 1 . 2]" 1
663 1 63 ILE H 1 63 ILE MG 3.500 . 5.000 3.805 3.674 3.959 . 0 0 "[ . 1 . 2]" 1
664 1 63 ILE MG 1 85 HIS H 5.000 . 6.500 5.149 4.751 5.345 . 0 0 "[ . 1 . 2]" 1
665 1 64 VAL QG 1 67 CYS H 5.000 . 7.400 3.269 1.791 5.543 0.009 2 0 "[ . 1 . 2]" 1
666 1 65 GLN HA 1 66 GLY H 5.000 . 5.000 2.840 2.216 3.487 . 0 0 "[ . 1 . 2]" 1
667 1 65 GLN HA 1 67 CYS H 5.000 . 5.000 4.501 3.474 5.013 0.013 9 0 "[ . 1 . 2]" 1
668 1 66 GLY QA 1 67 CYS H 5.000 . 6.000 2.635 2.383 2.927 . 0 0 "[ . 1 . 2]" 1
669 1 66 GLY H 1 67 CYS H 5.000 . 5.000 2.726 1.791 3.681 0.009 8 0 "[ . 1 . 2]" 1
670 1 67 CYS HA 1 69 ARG H 5.000 . 5.000 4.101 3.434 5.120 0.120 20 0 "[ . 1 . 2]" 1
671 1 67 CYS H 1 67 CYS QB 3.500 . 4.100 2.340 2.079 2.911 . 0 0 "[ . 1 . 2]" 1
672 1 67 CYS QB 1 69 ARG H 3.500 . 4.500 3.653 2.424 4.104 . 0 0 "[ . 1 . 2]" 1
673 1 67 CYS H 1 68 LYS H 5.000 . 5.000 4.313 3.018 4.707 . 0 0 "[ . 1 . 2]" 1
674 1 68 LYS H 1 69 ARG H 2.900 . 2.900 2.515 1.799 2.919 0.019 20 0 "[ . 1 . 2]" 1
675 1 68 LYS HA 1 69 ARG H 5.000 . 5.000 3.022 2.778 3.603 . 0 0 "[ . 1 . 2]" 1
676 1 69 ARG H 1 69 ARG HA 2.900 . 2.900 2.855 2.328 2.956 0.056 3 0 "[ . 1 . 2]" 1
677 1 69 ARG HA 1 70 THR H 3.500 . 3.500 2.435 2.190 3.579 0.079 15 0 "[ . 1 . 2]" 1
678 1 69 ARG H 1 69 ARG QB 2.900 . 3.500 2.478 2.101 3.413 . 0 0 "[ . 1 . 2]" 1
679 1 69 ARG QB 1 70 THR H 3.500 . 4.500 3.256 1.748 3.890 0.052 6 0 "[ . 1 . 2]" 1
680 1 69 ARG H 1 69 ARG QG 2.900 . 3.900 2.857 2.048 3.525 . 0 0 "[ . 1 . 2]" 1
681 1 69 ARG H 1 70 THR H 5.000 . 5.000 4.305 3.846 4.557 . 0 0 "[ . 1 . 2]" 1
682 1 69 ARG H 1 80 HIS HD2 5.000 . 5.000 5.031 4.936 5.088 0.088 3 0 "[ . 1 . 2]" 1
683 1 70 THR HA 1 71 TYR H 2.900 . 2.900 2.538 2.331 2.693 . 0 0 "[ . 1 . 2]" 1
684 1 70 THR HB 1 71 TYR H 2.900 . 2.900 2.369 2.129 2.690 . 0 0 "[ . 1 . 2]" 1
685 1 70 THR H 1 70 THR MG 3.500 . 5.000 3.138 2.558 3.396 . 0 0 "[ . 1 . 2]" 1
686 1 70 THR MG 1 71 TYR H 2.900 . 4.400 2.828 2.608 3.479 . 0 0 "[ . 1 . 2]" 1
687 1 74 GLN HE22 1 77 LEU QD 3.500 . 5.000 2.447 1.913 2.755 . 0 0 "[ . 1 . 2]" 1
688 1 70 THR H 1 71 TYR H 5.000 . 5.000 4.599 4.494 4.690 . 0 0 "[ . 1 . 2]" 1
689 1 71 TYR H 1 71 TYR HA 2.900 . 2.900 2.920 2.908 2.940 0.040 15 0 "[ . 1 . 2]" 1
690 1 71 TYR HA 1 72 LEU H 2.900 . 2.900 2.658 2.476 2.788 . 0 0 "[ . 1 . 2]" 1
691 1 71 TYR HA 1 73 SER H 5.000 . 5.000 4.298 4.071 4.448 . 0 0 "[ . 1 . 2]" 1
692 1 71 TYR H 1 71 TYR QB 2.900 . 3.500 2.832 2.736 2.897 . 0 0 "[ . 1 . 2]" 1
693 1 71 TYR QB 1 72 LEU H 2.900 . 3.900 2.051 1.809 2.363 . 0 0 "[ . 1 . 2]" 1
694 1 71 TYR QB 1 73 SER H 2.900 . 3.900 2.405 2.172 2.596 . 0 0 "[ . 1 . 2]" 1
695 1 71 TYR QB 1 76 ASP H 3.500 . 4.500 3.936 3.854 4.026 . 0 0 "[ . 1 . 2]" 1
696 1 71 TYR QB 1 77 LEU H 2.900 . 3.900 3.038 2.959 3.096 . 0 0 "[ . 1 . 2]" 1
697 1 71 TYR QB 1 78 GLN H 5.000 . 6.000 4.998 4.911 5.062 . 0 0 "[ . 1 . 2]" 1
698 1 71 TYR H 1 71 TYR QD 2.900 . 4.900 3.474 2.891 4.268 . 0 0 "[ . 1 . 2]" 1
699 1 71 TYR QD 1 72 LEU H 3.500 . 5.500 3.383 2.171 3.946 . 0 0 "[ . 1 . 2]" 1
700 1 71 TYR QD 1 73 SER H 3.500 . 5.500 4.390 3.580 4.715 . 0 0 "[ . 1 . 2]" 1
701 1 71 TYR QD 1 76 ASP H 5.000 . 7.000 5.145 4.749 5.326 . 0 0 "[ . 1 . 2]" 1
702 1 71 TYR H 1 72 LEU H 5.000 . 5.000 4.353 4.302 4.395 . 0 0 "[ . 1 . 2]" 1
703 1 71 TYR H 1 73 SER H 5.000 . 5.000 5.064 5.009 5.131 0.131 3 0 "[ . 1 . 2]" 1
704 1 71 TYR H 1 77 LEU QB 5.000 . 6.000 4.263 3.967 4.686 . 0 0 "[ . 1 . 2]" 1
705 1 72 LEU H 1 72 LEU HA 2.900 . 2.900 2.982 2.965 2.989 0.089 9 0 "[ . 1 . 2]" 1
706 1 72 LEU HA 1 73 SER H 3.500 . 3.500 3.370 3.335 3.408 . 0 0 "[ . 1 . 2]" 1
707 1 72 LEU H 1 72 LEU QB 2.900 . 3.500 3.001 2.931 3.044 . 0 0 "[ . 1 . 2]" 1
708 1 72 LEU QB 1 73 SER H 3.500 . 4.500 3.449 3.354 3.578 . 0 0 "[ . 1 . 2]" 1
709 1 72 LEU H 1 72 LEU MD2 3.500 . 5.000 2.447 2.236 2.597 . 0 0 "[ . 1 . 2]" 1
710 1 72 LEU MD2 1 73 SER H 5.000 . 6.500 4.071 4.028 4.102 . 0 0 "[ . 1 . 2]" 1
711 1 72 LEU H 1 72 LEU QD 3.500 . 5.200 2.411 2.213 2.550 . 0 0 "[ . 1 . 2]" 1
712 1 72 LEU QD 1 73 SER H 3.500 . 5.900 3.856 3.831 3.873 . 0 0 "[ . 1 . 2]" 1
713 1 72 LEU H 1 72 LEU HG 2.900 . 2.900 1.889 1.793 1.982 0.007 7 0 "[ . 1 . 2]" 1
714 1 72 LEU HG 1 73 SER H 3.500 . 3.500 3.535 3.507 3.564 0.064 7 0 "[ . 1 . 2]" 1
715 1 72 LEU H 1 73 SER H 2.900 . 2.900 2.081 1.945 2.269 . 0 0 "[ . 1 . 2]" 1
716 1 72 LEU H 1 76 ASP QB 3.500 . 4.500 3.084 2.884 3.282 . 0 0 "[ . 1 . 2]" 1
717 1 72 LEU H 1 76 ASP H 5.000 . 5.000 5.016 4.969 5.044 0.044 15 0 "[ . 1 . 2]" 1
718 1 72 LEU H 1 77 LEU H 5.000 . 5.000 5.072 5.006 5.145 0.145 3 0 "[ . 1 . 2]" 1
719 1 73 SER HA 1 74 GLN H 2.900 . 2.900 2.194 2.179 2.209 . 0 0 "[ . 1 . 2]" 1
720 1 73 SER HA 1 75 ARG H 5.000 . 5.000 3.717 3.569 3.918 . 0 0 "[ . 1 . 2]" 1
721 1 73 SER H 1 73 SER QB 2.900 . 3.500 2.848 2.683 3.053 . 0 0 "[ . 1 . 2]" 1
722 1 73 SER QB 1 74 GLN H 3.500 . 4.500 3.393 3.026 3.766 . 0 0 "[ . 1 . 2]" 1
723 1 73 SER QB 1 76 ASP H 3.500 . 4.500 2.835 2.392 3.712 . 0 0 "[ . 1 . 2]" 1
724 1 73 SER H 1 74 GLN H 5.000 . 5.000 4.202 4.143 4.246 . 0 0 "[ . 1 . 2]" 1
725 1 73 SER H 1 75 ARG QB 5.000 . 6.000 5.226 5.169 5.267 . 0 0 "[ . 1 . 2]" 1
726 1 73 SER H 1 76 ASP QB 2.900 . 3.900 2.704 2.452 3.066 . 0 0 "[ . 1 . 2]" 1
727 1 73 SER H 1 76 ASP H 3.500 . 3.500 3.581 3.513 3.643 0.143 18 0 "[ . 1 . 2]" 1
728 1 73 SER H 1 77 LEU QB 5.000 . 6.000 4.322 4.146 4.436 . 0 0 "[ . 1 . 2]" 1
729 1 73 SER H 1 77 LEU QD 5.000 . 7.400 5.289 4.950 5.406 . 0 0 "[ . 1 . 2]" 1
730 1 74 GLN HA 1 75 ARG H 5.000 . 5.000 3.480 3.433 3.512 . 0 0 "[ . 1 . 2]" 1
731 1 74 GLN HA 1 77 LEU H 3.500 . 3.500 3.206 3.116 3.278 . 0 0 "[ . 1 . 2]" 1
732 1 74 GLN HA 1 78 GLN H 3.500 . 3.500 3.514 3.444 3.558 0.058 8 0 "[ . 1 . 2]" 1
733 1 74 GLN H 1 74 GLN QB 2.900 . 3.500 2.276 2.097 2.567 . 0 0 "[ . 1 . 2]" 1
734 1 74 GLN H 1 74 GLN HE22 5.000 . 5.000 4.884 4.191 5.044 0.044 15 0 "[ . 1 . 2]" 1
735 1 74 GLN QG 1 77 LEU H 5.000 . 6.000 4.884 4.524 5.325 . 0 0 "[ . 1 . 2]" 1
736 1 74 GLN H 1 75 ARG H 3.500 . 3.500 2.830 2.756 2.890 . 0 0 "[ . 1 . 2]" 1
737 1 75 ARG H 1 75 ARG HA 2.900 . 2.900 2.868 2.844 2.901 0.001 4 0 "[ . 1 . 2]" 1
738 1 75 ARG HA 1 76 ASP H 3.500 . 3.500 3.522 3.498 3.543 0.043 13 0 "[ . 1 . 2]" 1
739 1 75 ARG HA 1 77 LEU H 5.000 . 5.000 4.492 4.427 4.580 . 0 0 "[ . 1 . 2]" 1
740 1 75 ARG HA 1 78 GLN H 3.500 . 3.500 3.510 3.420 3.556 0.056 15 0 "[ . 1 . 2]" 1
741 1 75 ARG HA 1 79 ALA H 5.000 . 5.000 3.965 3.828 4.122 . 0 0 "[ . 1 . 2]" 1
742 1 75 ARG H 1 75 ARG QB 2.900 . 3.500 2.247 2.204 2.267 . 0 0 "[ . 1 . 2]" 1
743 1 75 ARG QB 1 76 ASP H 2.900 . 3.900 2.685 2.625 2.734 . 0 0 "[ . 1 . 2]" 1
744 1 75 ARG QB 1 78 GLN H 5.000 . 6.000 4.890 4.805 4.941 . 0 0 "[ . 1 . 2]" 1
745 1 75 ARG QB 1 79 ALA H 5.000 . 6.000 5.210 5.127 5.295 . 0 0 "[ . 1 . 2]" 1
746 1 75 ARG H 1 75 ARG QD 5.000 . 6.000 4.338 4.128 4.435 . 0 0 "[ . 1 . 2]" 1
747 1 75 ARG QD 1 76 ASP H 3.500 . 4.500 3.771 3.072 4.301 . 0 0 "[ . 1 . 2]" 1
748 1 75 ARG QG 1 76 ASP H 3.500 . 4.500 3.989 3.515 4.034 . 0 0 "[ . 1 . 2]" 1
749 1 75 ARG QG 1 79 ALA H 5.000 . 6.000 4.364 4.213 4.735 . 0 0 "[ . 1 . 2]" 1
750 1 75 ARG H 1 76 ASP H 2.900 . 2.900 2.614 2.503 2.704 . 0 0 "[ . 1 . 2]" 1
751 1 75 ARG H 1 77 LEU H 5.000 . 5.000 3.977 3.876 4.089 . 0 0 "[ . 1 . 2]" 1
752 1 76 ASP H 1 76 ASP HA 2.900 . 2.900 2.931 2.922 2.941 0.041 18 0 "[ . 1 . 2]" 1
753 1 76 ASP HA 1 77 LEU H 3.500 . 3.500 3.510 3.492 3.527 0.027 16 0 "[ . 1 . 2]" 1
754 1 76 ASP HA 1 78 GLN H 5.000 . 5.000 4.210 4.131 4.291 . 0 0 "[ . 1 . 2]" 1
755 1 76 ASP HA 1 79 ALA H 3.500 . 3.500 3.214 3.078 3.323 . 0 0 "[ . 1 . 2]" 1
756 1 76 ASP HA 1 80 HIS H 5.000 . 5.000 4.377 4.253 4.494 . 0 0 "[ . 1 . 2]" 1
757 1 76 ASP H 1 76 ASP QB 2.900 . 3.500 2.302 2.160 2.591 . 0 0 "[ . 1 . 2]" 1
758 1 76 ASP QB 1 77 LEU H 2.900 . 3.900 2.696 2.639 2.746 . 0 0 "[ . 1 . 2]" 1
759 1 76 ASP QB 1 78 GLN H 5.000 . 6.000 4.542 4.447 4.621 . 0 0 "[ . 1 . 2]" 1
760 1 76 ASP H 1 77 LEU QB 3.500 . 4.500 4.083 4.005 4.142 . 0 0 "[ . 1 . 2]" 1
761 1 76 ASP H 1 77 LEU H 2.900 . 2.900 2.318 2.257 2.381 . 0 0 "[ . 1 . 2]" 1
762 1 76 ASP H 1 78 GLN H 3.500 . 3.500 3.609 3.569 3.681 0.181 2 0 "[ . 1 . 2]" 1
763 1 77 LEU H 1 77 LEU HA 2.900 . 2.900 2.896 2.873 2.916 0.016 18 0 "[ . 1 . 2]" 1
764 1 77 LEU HA 1 78 GLN H 3.500 . 3.500 3.509 3.487 3.527 0.027 9 0 "[ . 1 . 2]" 1
765 1 77 LEU HA 1 79 ALA H 5.000 . 5.000 4.062 3.967 4.187 . 0 0 "[ . 1 . 2]" 1
766 1 77 LEU HA 1 80 HIS H 2.900 . 2.900 2.986 2.918 3.074 0.174 15 0 "[ . 1 . 2]" 1
767 1 77 LEU HA 1 81 ILE H 5.000 . 5.000 4.353 4.255 4.438 . 0 0 "[ . 1 . 2]" 1
768 1 77 LEU H 1 77 LEU QB 2.900 . 3.500 2.203 2.143 2.252 . 0 0 "[ . 1 . 2]" 1
769 1 77 LEU QB 1 78 GLN H 2.900 . 3.900 2.730 2.517 2.931 . 0 0 "[ . 1 . 2]" 1
770 1 77 LEU H 1 77 LEU QD 2.900 . 4.600 3.550 3.280 3.691 . 0 0 "[ . 1 . 2]" 1
771 1 77 LEU QD 1 78 GLN H 3.500 . 5.900 2.899 2.376 3.860 . 0 0 "[ . 1 . 2]" 1
772 1 77 LEU QD 1 80 HIS H 3.500 . 5.900 4.303 4.206 4.454 . 0 0 "[ . 1 . 2]" 1
773 1 77 LEU QD 1 81 ILE H 3.500 . 5.900 4.195 3.978 4.506 . 0 0 "[ . 1 . 2]" 1
774 1 77 LEU H 1 77 LEU HG 5.000 . 5.000 4.400 4.367 4.453 . 0 0 "[ . 1 . 2]" 1
775 1 77 LEU HG 1 78 GLN H 5.000 . 5.000 4.157 3.992 4.243 . 0 0 "[ . 1 . 2]" 1
776 1 77 LEU HG 1 81 ILE H 5.000 . 5.000 4.198 4.059 4.310 . 0 0 "[ . 1 . 2]" 1
777 1 77 LEU H 1 78 GLN HA 5.000 . 5.000 5.057 5.040 5.093 0.093 2 0 "[ . 1 . 2]" 1
778 1 77 LEU H 1 78 GLN H 2.900 . 2.900 2.369 2.326 2.408 . 0 0 "[ . 1 . 2]" 1
779 1 77 LEU H 1 79 ALA H 3.500 . 3.500 3.663 3.593 3.714 0.214 8 0 "[ . 1 . 2]" 1
780 1 78 GLN H 1 78 GLN HA 2.900 . 2.900 2.889 2.875 2.902 0.002 7 0 "[ . 1 . 2]" 1
781 1 78 GLN HA 1 79 ALA H 3.500 . 3.500 3.457 3.443 3.472 . 0 0 "[ . 1 . 2]" 1
782 1 78 GLN HA 1 80 HIS H 3.500 . 3.500 3.710 3.664 3.735 0.235 6 0 "[ . 1 . 2]" 1
783 1 78 GLN HA 1 81 ILE H 3.500 . 3.500 3.316 3.157 3.474 . 0 0 "[ . 1 . 2]" 1
784 1 78 GLN HA 1 82 ASN H 5.000 . 5.000 4.396 4.243 4.580 . 0 0 "[ . 1 . 2]" 1
785 1 78 GLN H 1 78 GLN QB 2.900 . 3.500 2.314 2.280 2.337 . 0 0 "[ . 1 . 2]" 1
786 1 78 GLN QB 1 79 ALA H 2.900 . 3.900 2.676 2.466 2.763 . 0 0 "[ . 1 . 2]" 1
787 1 78 GLN QB 1 80 HIS H 5.000 . 6.000 4.427 4.326 4.486 . 0 0 "[ . 1 . 2]" 1
788 1 78 GLN HE21 1 81 ILE MG 2.900 . 4.400 3.580 3.328 3.680 . 0 0 "[ . 1 . 2]" 1
789 1 78 GLN HE22 1 81 ILE HB 5.000 . 5.000 3.162 2.092 4.263 . 0 0 "[ . 1 . 2]" 1
790 1 78 GLN HE22 1 81 ILE MG 3.500 . 5.000 3.396 2.449 4.153 . 0 0 "[ . 1 . 2]" 1
791 1 78 GLN H 1 78 GLN QG 3.500 . 4.500 4.070 4.003 4.089 . 0 0 "[ . 1 . 2]" 1
792 1 78 GLN QG 1 79 ALA H 3.500 . 4.500 3.884 3.698 4.313 . 0 0 "[ . 1 . 2]" 1
793 1 78 GLN QG 1 82 ASN HD21 3.500 . 4.500 3.164 2.770 4.007 . 0 0 "[ . 1 . 2]" 1
794 1 78 GLN QG 1 82 ASN HD22 3.500 . 4.500 2.425 1.790 4.078 0.010 13 0 "[ . 1 . 2]" 1
795 1 78 GLN QG 1 82 ASN H 5.000 . 6.000 4.329 3.938 5.205 . 0 0 "[ . 1 . 2]" 1
796 1 78 GLN H 1 79 ALA MB 3.500 . 5.000 4.055 3.969 4.102 . 0 0 "[ . 1 . 2]" 1
797 1 78 GLN H 1 79 ALA H 2.900 . 2.900 2.341 2.296 2.374 . 0 0 "[ . 1 . 2]" 1
798 1 78 GLN H 1 80 HIS H 3.500 . 3.500 3.598 3.558 3.655 0.155 2 0 "[ . 1 . 2]" 1
799 1 79 ALA H 1 79 ALA HA 2.900 . 2.900 2.899 2.866 2.915 0.015 13 0 "[ . 1 . 2]" 1
800 1 79 ALA HA 1 80 HIS H 3.500 . 3.500 3.469 3.463 3.478 . 0 0 "[ . 1 . 2]" 1
801 1 79 ALA HA 1 81 ILE H 5.000 . 5.000 4.414 4.254 4.634 . 0 0 "[ . 1 . 2]" 1
802 1 79 ALA HA 1 82 ASN HD21 3.500 . 3.500 2.756 2.183 3.386 . 0 0 "[ . 1 . 2]" 1
803 1 79 ALA HA 1 82 ASN HD22 3.500 . 3.500 2.775 1.771 3.506 0.029 14 0 "[ . 1 . 2]" 1
804 1 79 ALA HA 1 82 ASN H 3.500 . 3.500 3.564 3.508 3.662 0.162 2 0 "[ . 1 . 2]" 1
805 1 79 ALA HA 1 83 HIS H 5.000 . 5.000 4.076 4.032 4.104 . 0 0 "[ . 1 . 2]" 1
806 1 79 ALA H 1 79 ALA MB 2.900 . 4.000 2.213 2.058 2.269 . 0 0 "[ . 1 . 2]" 1
807 1 79 ALA MB 1 80 HIS H 2.900 . 4.400 2.958 2.913 3.033 . 0 0 "[ . 1 . 2]" 1
808 1 79 ALA H 1 80 HIS HA 5.000 . 5.000 5.062 5.027 5.140 0.140 1 0 "[ . 1 . 2]" 1
809 1 79 ALA H 1 80 HIS H 2.900 . 2.900 2.433 2.382 2.528 . 0 0 "[ . 1 . 2]" 1
810 1 80 HIS H 1 80 HIS HA 2.900 . 2.900 2.918 2.908 2.928 0.028 2 0 "[ . 1 . 2]" 1
811 1 80 HIS HA 1 81 ILE H 3.500 . 3.500 3.523 3.506 3.546 0.046 20 0 "[ . 1 . 2]" 1
812 1 80 HIS HA 1 83 HIS H 3.500 . 3.500 3.321 3.159 3.389 . 0 0 "[ . 1 . 2]" 1
813 1 80 HIS HA 1 82 ASN H 5.000 . 5.000 4.686 4.609 4.841 . 0 0 "[ . 1 . 2]" 1
814 1 80 HIS HA 1 84 ARG H 5.000 . 5.000 4.157 3.983 4.444 . 0 0 "[ . 1 . 2]" 1
815 1 80 HIS H 1 80 HIS QB 2.900 . 3.500 2.254 2.120 2.320 . 0 0 "[ . 1 . 2]" 1
816 1 80 HIS QB 1 81 ILE H 2.900 . 3.900 2.715 2.428 3.298 . 0 0 "[ . 1 . 2]" 1
817 1 80 HIS QB 1 82 ASN H 5.000 . 6.000 5.050 4.841 5.360 . 0 0 "[ . 1 . 2]" 1
818 1 80 HIS H 1 80 HIS HD2 5.000 . 5.000 4.832 4.245 5.024 0.024 13 0 "[ . 1 . 2]" 1
819 1 80 HIS HD2 1 81 ILE H 3.500 . 3.500 3.566 3.296 3.666 0.166 6 0 "[ . 1 . 2]" 1
820 1 80 HIS H 1 81 ILE HB 5.000 . 5.000 5.026 4.749 5.082 0.082 20 0 "[ . 1 . 2]" 1
821 1 80 HIS H 1 81 ILE HG12 3.500 . 3.500 3.551 3.502 3.582 0.082 7 0 "[ . 1 . 2]" 1
822 1 80 HIS H 1 81 ILE H 2.900 . 2.900 2.495 2.435 2.590 . 0 0 "[ . 1 . 2]" 1
823 1 80 HIS H 1 82 ASN H 5.000 . 5.000 4.217 4.129 4.372 . 0 0 "[ . 1 . 2]" 1
824 1 81 ILE H 1 81 ILE HA 2.900 . 2.900 2.834 2.806 2.860 . 0 0 "[ . 1 . 2]" 1
825 1 81 ILE HA 1 82 ASN H 3.500 . 3.500 3.554 3.529 3.579 0.079 12 0 "[ . 1 . 2]" 1
826 1 81 ILE HA 1 83 HIS H 5.000 . 5.000 4.055 3.944 4.188 . 0 0 "[ . 1 . 2]" 1
827 1 81 ILE HA 1 85 HIS H 5.000 . 5.000 3.136 2.920 3.363 . 0 0 "[ . 1 . 2]" 1
828 1 81 ILE HA 1 84 ARG H 3.500 . 3.500 3.588 3.390 3.698 0.198 9 0 "[ . 1 . 2]" 1
829 1 81 ILE HA 1 86 MET H 5.000 . 5.000 3.607 3.058 4.233 . 0 0 "[ . 1 . 2]" 1
830 1 81 ILE H 1 81 ILE HB 2.900 . 2.900 2.906 2.709 3.003 0.103 20 0 "[ . 1 . 2]" 1
831 1 81 ILE HB 1 82 ASN H 2.900 . 2.900 2.217 1.968 2.310 . 0 0 "[ . 1 . 2]" 1
832 1 81 ILE HB 1 83 HIS H 5.000 . 5.000 4.469 4.291 4.513 . 0 0 "[ . 1 . 2]" 1
833 1 81 ILE H 1 81 ILE HG13 3.500 . 3.500 3.319 3.262 3.374 . 0 0 "[ . 1 . 2]" 1
834 1 81 ILE HG13 1 82 ASN H 5.000 . 5.000 4.350 4.146 4.490 . 0 0 "[ . 1 . 2]" 1
835 1 81 ILE H 1 81 ILE HG12 2.900 . 2.900 1.724 1.682 1.750 0.118 2 0 "[ . 1 . 2]" 1
836 1 81 ILE HG12 1 82 ASN H 3.500 . 3.500 3.459 3.225 3.646 0.146 2 0 "[ . 1 . 2]" 1
837 1 81 ILE HG12 1 83 HIS H 5.000 . 5.000 5.178 5.097 5.238 0.238 2 0 "[ . 1 . 2]" 1
838 1 81 ILE H 1 81 ILE MG 2.900 . 4.400 3.721 3.631 3.778 . 0 0 "[ . 1 . 2]" 1
839 1 81 ILE MG 1 82 ASN H 2.900 . 4.400 3.609 3.269 3.695 . 0 0 "[ . 1 . 2]" 1
840 1 81 ILE MG 1 83 HIS H 5.000 . 6.500 4.927 4.719 4.992 . 0 0 "[ . 1 . 2]" 1
841 1 81 ILE MG 1 85 HIS H 3.500 . 5.000 3.823 3.512 3.944 . 0 0 "[ . 1 . 2]" 1
842 1 81 ILE MG 1 86 MET H 3.500 . 5.000 3.050 2.317 3.318 . 0 0 "[ . 1 . 2]" 1
843 1 81 ILE H 1 82 ASN QB 5.000 . 6.000 5.160 4.993 5.355 . 0 0 "[ . 1 . 2]" 1
844 1 81 ILE H 1 82 ASN H 2.900 . 2.900 2.829 2.756 2.911 0.011 20 0 "[ . 1 . 2]" 1
845 1 81 ILE H 1 83 HIS H 5.000 . 5.000 3.776 3.715 3.873 . 0 0 "[ . 1 . 2]" 1
846 1 81 ILE H 1 85 HIS HD2 5.000 . 5.000 4.681 4.412 5.077 0.077 12 0 "[ . 1 . 2]" 1
847 1 82 ASN H 1 82 ASN HA 2.900 . 2.900 2.879 2.853 2.904 0.004 8 0 "[ . 1 . 2]" 1
848 1 82 ASN HA 1 83 HIS H 3.500 . 3.500 3.463 3.442 3.501 0.001 7 0 "[ . 1 . 2]" 1
849 1 82 ASN HA 1 84 ARG H 5.000 . 5.000 4.191 3.925 4.424 . 0 0 "[ . 1 . 2]" 1
850 1 82 ASN HA 1 85 HIS H 5.000 . 5.000 4.159 3.852 4.473 . 0 0 "[ . 1 . 2]" 1
851 1 82 ASN HA 1 86 MET H 5.000 . 5.000 2.833 2.457 3.377 . 0 0 "[ . 1 . 2]" 1
852 1 82 ASN H 1 82 ASN QB 2.900 . 3.500 2.736 2.674 2.802 . 0 0 "[ . 1 . 2]" 1
853 1 82 ASN QB 1 83 HIS H 2.900 . 3.900 3.269 2.919 3.642 . 0 0 "[ . 1 . 2]" 1
854 1 82 ASN H 1 82 ASN HD21 3.500 . 3.500 3.279 2.699 3.453 . 0 0 "[ . 1 . 2]" 1
855 1 82 ASN H 1 82 ASN HD22 3.500 . 3.500 3.416 3.049 3.519 0.019 14 0 "[ . 1 . 2]" 1
856 1 82 ASN H 1 83 HIS HA 5.000 . 5.000 5.173 5.127 5.222 0.222 7 0 "[ . 1 . 2]" 1
857 1 82 ASN H 1 83 HIS H 2.900 . 2.900 2.570 2.514 2.634 . 0 0 "[ . 1 . 2]" 1
858 1 82 ASN H 1 85 HIS HD2 5.000 . 5.000 5.055 4.837 5.222 0.222 4 0 "[ . 1 . 2]" 1
859 1 83 HIS H 1 83 HIS HA 2.900 . 2.900 2.930 2.917 2.940 0.040 7 0 "[ . 1 . 2]" 1
860 1 83 HIS HA 1 84 ARG H 3.500 . 3.500 3.497 3.413 3.548 0.048 19 0 "[ . 1 . 2]" 1
861 1 83 HIS H 1 83 HIS QB 2.900 . 3.500 2.341 2.266 2.420 . 0 0 "[ . 1 . 2]" 1
862 1 83 HIS QB 1 84 ARG H 2.900 . 3.900 3.051 2.862 3.248 . 0 0 "[ . 1 . 2]" 1
863 1 83 HIS H 1 83 HIS HD2 3.500 . 3.500 3.051 2.891 3.201 . 0 0 "[ . 1 . 2]" 1
864 1 83 HIS HD2 1 84 ARG H 5.000 . 5.000 4.972 4.854 5.048 0.048 9 0 "[ . 1 . 2]" 1
865 1 83 HIS H 1 84 ARG QB 5.000 . 6.000 4.830 4.390 5.126 . 0 0 "[ . 1 . 2]" 1
866 1 83 HIS H 1 84 ARG QD 5.000 . 6.000 5.003 4.573 5.421 . 0 0 "[ . 1 . 2]" 1
867 1 83 HIS H 1 84 ARG QG 3.500 . 4.500 3.738 3.660 3.812 . 0 0 "[ . 1 . 2]" 1
868 1 83 HIS H 1 84 ARG H 2.900 . 2.900 2.474 2.429 2.506 . 0 0 "[ . 1 . 2]" 1
869 1 84 ARG H 1 84 ARG HA 2.900 . 2.900 2.985 2.973 2.993 0.093 9 0 "[ . 1 . 2]" 1
870 1 84 ARG HA 1 85 HIS H 3.500 . 3.500 3.510 3.430 3.576 0.076 15 0 "[ . 1 . 2]" 1
871 1 84 ARG HA 1 86 MET H 5.000 . 5.000 5.106 5.040 5.203 0.203 3 0 "[ . 1 . 2]" 1
872 1 84 ARG H 1 84 ARG QB 2.900 . 3.500 2.780 2.456 2.979 . 0 0 "[ . 1 . 2]" 1
873 1 84 ARG QB 1 85 HIS H 3.500 . 4.500 2.837 2.323 3.237 . 0 0 "[ . 1 . 2]" 1
874 1 84 ARG QB 1 86 MET H 5.000 . 6.000 4.670 3.753 5.159 . 0 0 "[ . 1 . 2]" 1
875 1 84 ARG H 1 84 ARG QD 3.500 . 4.500 3.723 3.397 4.092 . 0 0 "[ . 1 . 2]" 1
876 1 84 ARG H 1 84 ARG QG 2.900 . 3.900 2.440 2.193 2.685 . 0 0 "[ . 1 . 2]" 1
877 1 84 ARG QG 1 85 HIS H 3.500 . 4.500 3.822 3.441 4.034 . 0 0 "[ . 1 . 2]" 1
878 1 84 ARG H 1 85 HIS HA 5.000 . 5.000 4.770 4.721 4.893 . 0 0 "[ . 1 . 2]" 1
879 1 84 ARG H 1 85 HIS QB 5.000 . 6.000 4.556 4.167 5.310 . 0 0 "[ . 1 . 2]" 1
880 1 84 ARG H 1 85 HIS H 2.900 . 2.900 2.063 1.929 2.423 . 0 0 "[ . 1 . 2]" 1
881 1 84 ARG H 1 86 MET H 3.500 . 3.500 3.455 3.222 3.566 0.066 13 0 "[ . 1 . 2]" 1
882 1 85 HIS H 1 85 HIS HA 2.900 . 2.900 2.970 2.936 2.984 0.084 14 0 "[ . 1 . 2]" 1
883 1 85 HIS HA 1 86 MET H 3.500 . 3.500 3.512 3.440 3.542 0.042 14 0 "[ . 1 . 2]" 1
884 1 85 HIS HA 1 87 ARG H 5.000 . 5.000 4.341 3.969 5.019 0.019 1 0 "[ . 1 . 2]" 1
885 1 85 HIS H 1 85 HIS QB 2.900 . 3.500 2.802 2.578 3.318 . 0 0 "[ . 1 . 2]" 1
886 1 85 HIS QB 1 86 MET H 2.900 . 3.900 2.637 2.243 3.364 . 0 0 "[ . 1 . 2]" 1
887 1 85 HIS H 1 85 HIS HD2 3.500 . 3.500 2.120 1.873 3.538 0.038 4 0 "[ . 1 . 2]" 1
888 1 85 HIS H 1 86 MET QB 3.500 . 4.500 3.931 3.858 3.995 . 0 0 "[ . 1 . 2]" 1
889 1 85 HIS H 1 86 MET QG 5.000 . 6.000 5.321 5.128 5.424 . 0 0 "[ . 1 . 2]" 1
890 1 85 HIS H 1 86 MET H 2.900 . 2.900 2.065 1.673 2.333 0.127 3 0 "[ . 1 . 2]" 1
891 1 86 MET H 1 86 MET HA 2.900 . 2.900 2.354 2.319 2.367 . 0 0 "[ . 1 . 2]" 1
892 1 86 MET HA 1 87 ARG H 2.900 . 2.900 2.875 2.573 2.981 0.081 15 0 "[ . 1 . 2]" 1
893 1 86 MET H 1 86 MET QB 2.900 . 3.500 2.819 2.725 3.015 . 0 0 "[ . 1 . 2]" 1
894 1 86 MET QB 1 87 ARG H 3.500 . 4.500 3.843 3.762 3.990 . 0 0 "[ . 1 . 2]" 1
895 1 86 MET H 1 86 MET QG 3.500 . 4.500 3.857 3.678 4.059 . 0 0 "[ . 1 . 2]" 1
896 1 86 MET H 1 87 ARG H 2.900 . 2.900 2.871 2.650 2.988 0.088 1 0 "[ . 1 . 2]" 1
897 1 87 ARG H 1 87 ARG HA 2.900 . 2.900 2.862 2.332 2.972 0.072 4 0 "[ . 1 . 2]" 1
898 1 87 ARG H 1 87 ARG QB 2.900 . 3.500 2.541 2.147 3.104 . 0 0 "[ . 1 . 2]" 1
899 1 87 ARG QB 1 88 ALA H 5.000 . 6.000 3.412 1.896 4.028 . 0 0 "[ . 1 . 2]" 1
900 1 87 ARG H 1 87 ARG QG 3.500 . 4.500 3.751 2.382 4.124 . 0 0 "[ . 1 . 2]" 1
901 1 87 ARG H 1 88 ALA H 5.000 . 5.000 3.266 1.818 4.591 . 0 0 "[ . 1 . 2]" 1
902 1 88 ALA H 1 88 ALA HA 2.900 . 2.900 2.729 2.348 2.917 0.017 12 0 "[ . 1 . 2]" 1
903 1 88 ALA H 1 88 ALA MB 2.900 . 4.000 2.429 2.058 2.969 . 0 0 "[ . 1 . 2]" 1
904 1 4 CYS HA 1 11 ILE MD 3.500 . 4.400 2.190 2.062 2.673 . 0 0 "[ . 1 . 2]" 1
905 1 4 CYS QB 1 11 ILE MD 5.000 . 6.000 3.389 2.961 4.182 . 0 0 "[ . 1 . 2]" 1
906 1 9 LEU QD 1 10 PRO QD 5.000 . 8.400 2.964 2.165 3.080 . 0 0 "[ . 1 . 2]" 1
907 1 11 ILE MD 1 14 TYR QD 5.000 . 8.500 3.951 3.673 4.411 . 0 0 "[ . 1 . 2]" 1
908 1 11 ILE MD 1 14 TYR QE 5.000 . 8.500 3.607 2.951 4.323 . 0 0 "[ . 1 . 2]" 1
909 1 11 ILE MD 1 23 VAL QG 5.000 . 6.500 3.040 2.359 3.672 . 0 0 "[ . 1 . 2]" 1
910 1 11 ILE MD 1 25 CYS HA 5.000 . 5.000 4.061 3.913 4.165 . 0 0 "[ . 1 . 2]" 1
911 1 11 ILE MD 1 25 CYS QB 5.000 . 6.500 4.550 4.157 4.849 . 0 0 "[ . 1 . 2]" 1
912 1 11 ILE MG 1 14 TYR HA 5.000 . 6.500 2.377 2.170 2.588 . 0 0 "[ . 1 . 2]" 1
913 1 11 ILE MG 1 14 TYR QD 5.000 . 8.500 2.289 2.063 3.297 . 0 0 "[ . 1 . 2]" 1
914 1 11 ILE MG 1 14 TYR QE 5.000 . 8.500 2.972 2.668 3.540 . 0 0 "[ . 1 . 2]" 1
915 1 11 ILE MG 1 25 CYS HA 3.500 . 5.000 2.244 2.077 2.633 . 0 0 "[ . 1 . 2]" 1
916 1 11 ILE MG 1 24 PHE HA 5.000 . 6.500 3.864 3.587 4.237 . 0 0 "[ . 1 . 2]" 1
917 1 11 ILE MG 1 25 CYS QB 5.000 . 7.500 3.408 3.036 3.835 . 0 0 "[ . 1 . 2]" 1
918 1 13 VAL QG 1 26 TYR QD 5.000 . 9.400 3.273 2.974 3.405 . 0 0 "[ . 1 . 2]" 1
919 1 13 VAL QG 1 54 THR MG 3.500 . 7.400 3.968 3.207 4.229 . 0 0 "[ . 1 . 2]" 1
920 1 15 GLY QA 1 26 TYR QD 5.000 . 8.000 2.194 2.146 2.240 . 0 0 "[ . 1 . 2]" 1
921 1 17 MET ME 1 50 ILE MD 3.500 . 6.500 2.128 1.990 2.195 . 0 0 "[ . 1 . 2]" 1
922 1 23 VAL QG 1 70 THR MG 5.000 . 6.500 2.889 2.066 3.586 . 0 0 "[ . 1 . 2]" 1
923 1 26 TYR QD 1 50 ILE MG 5.000 . 8.500 2.603 2.267 3.068 . 0 0 "[ . 1 . 2]" 1
924 1 26 TYR QE 1 50 ILE MG 5.000 . 8.500 2.809 2.286 3.336 . 0 0 "[ . 1 . 2]" 1
925 1 29 ALA MB 1 50 ILE MD 3.500 . 6.500 2.334 2.074 2.762 . 0 0 "[ . 1 . 2]" 1
926 1 33 GLU QB 1 50 ILE MD 5.000 . 7.500 2.066 1.902 2.456 . 0 0 "[ . 1 . 2]" 1
927 1 57 SER QB 1 72 LEU QD 5.000 . 8.400 5.198 4.990 5.390 . 0 0 "[ . 1 . 2]" 1
928 1 58 LEU QD 1 70 THR MG 5.000 . 5.000 2.463 2.222 2.652 . 0 0 "[ . 1 . 2]" 1
929 1 60 MET HA 1 70 THR MG 5.000 . 5.000 2.371 2.212 3.565 . 0 0 "[ . 1 . 2]" 1
930 1 60 MET QB 1 70 THR MG 5.000 . 5.000 3.463 2.898 3.717 . 0 0 "[ . 1 . 2]" 1
931 1 60 MET ME 1 70 THR MG 5.000 . 5.000 2.627 1.992 3.238 . 0 0 "[ . 1 . 2]" 1
932 1 61 CYS HA 1 77 LEU QD 5.000 . 5.000 2.393 2.057 3.115 . 0 0 "[ . 1 . 2]" 1
933 1 61 CYS HA 1 81 ILE MD 5.000 . 6.500 3.651 2.774 4.311 . 0 0 "[ . 1 . 2]" 1
934 1 61 CYS QB 1 77 LEU QD 5.000 . 6.000 2.811 2.172 3.588 . 0 0 "[ . 1 . 2]" 1
935 1 63 ILE MD 1 81 ILE MD 3.500 . 5.000 2.337 1.905 3.069 . 0 0 "[ . 1 . 2]" 1
936 1 77 LEU QD 1 80 HIS HD2 5.000 . 7.400 4.356 3.071 5.496 . 0 0 "[ . 1 . 2]" 1
937 1 77 LEU QD 1 81 ILE MD 3.500 . 7.400 2.670 2.496 3.115 . 0 0 "[ . 1 . 2]" 1
938 1 77 LEU HG 1 81 ILE MD 3.500 . 5.000 2.867 2.600 3.353 . 0 0 "[ . 1 . 2]" 1
939 1 80 HIS HD2 1 81 ILE MD 5.000 . 6.500 2.390 2.146 3.428 . 0 0 "[ . 1 . 2]" 1
940 1 18 ILE MG 1 50 ILE HA 5.000 . 6.500 5.360 5.302 5.501 . 0 0 "[ . 1 . 2]" 1
941 1 18 ILE MG 1 49 ARG QG 5.000 . 6.500 4.378 3.950 4.491 . 0 0 "[ . 1 . 2]" 1
942 1 63 ILE MD 1 81 ILE HA 3.500 . 5.000 3.938 3.582 4.073 . 0 0 "[ . 1 . 2]" 1
943 1 63 ILE MG 1 85 HIS QB 3.500 . 5.000 2.638 2.212 3.293 . 0 0 "[ . 1 . 2]" 1
944 1 63 ILE MD 1 81 ILE MG 3.500 . 5.000 2.150 1.942 3.180 . 0 0 "[ . 1 . 2]" 1
945 1 27 ASP HA 1 30 ILE MD 3.500 . 5.000 2.730 2.298 3.283 . 0 0 "[ . 1 . 2]" 1
946 1 27 ASP HA 1 30 ILE MG 5.000 . 6.500 3.480 3.371 3.719 . 0 0 "[ . 1 . 2]" 1
947 1 30 ILE MD 1 34 LYS QD 5.000 . 6.500 3.287 2.310 4.475 . 0 0 "[ . 1 . 2]" 1
948 1 3 PHE HA 1 11 ILE MD 3.500 . 5.000 3.922 3.762 4.065 . 0 0 "[ . 1 . 2]" 1
949 1 11 ILE MD 1 24 PHE HA 3.500 . 5.000 2.630 2.302 3.654 . 0 0 "[ . 1 . 2]" 1
950 1 2 HIS QB 1 11 ILE MD 3.500 . 6.000 4.118 3.209 4.488 . 0 0 "[ . 1 . 2]" 1
951 1 5 ASP QB 1 11 ILE MD 5.000 . 7.500 4.765 4.438 5.409 . 0 0 "[ . 1 . 2]" 1
952 1 78 GLN HA 1 81 ILE MG 5.000 . 6.500 4.591 4.399 4.693 . 0 0 "[ . 1 . 2]" 1
953 1 81 ILE MG 1 88 ALA HA 5.000 . 6.500 4.664 3.242 5.428 . 0 0 "[ . 1 . 2]" 1
954 1 81 ILE MG 1 85 HIS QB 5.000 . 7.500 2.779 2.046 4.247 . 0 0 "[ . 1 . 2]" 1
955 1 81 ILE MG 1 86 MET QG 5.000 . 7.500 4.989 3.626 5.464 . 0 0 "[ . 1 . 2]" 1
956 1 81 ILE MG 1 86 MET QB 5.000 . 7.500 4.851 3.928 5.303 . 0 0 "[ . 1 . 2]" 1
957 1 78 GLN HA 1 81 ILE MD 5.000 . 6.500 3.660 3.506 3.773 . 0 0 "[ . 1 . 2]" 1
958 1 30 ILE HA 1 50 ILE MD 3.500 . 5.000 2.756 2.368 3.057 . 0 0 "[ . 1 . 2]" 1
959 1 17 MET HA 1 50 ILE MD 5.000 . 6.500 4.678 4.375 4.934 . 0 0 "[ . 1 . 2]" 1
960 1 17 MET HA 1 50 ILE MG 5.000 . 6.500 3.048 2.539 3.280 . 0 0 "[ . 1 . 2]" 1
961 1 50 ILE MG 1 51 GLU HA 5.000 . 6.500 3.917 3.795 3.995 . 0 0 "[ . 1 . 2]" 1
962 1 50 ILE MG 1 52 GLN HA 5.000 . 6.500 4.618 4.435 4.732 . 0 0 "[ . 1 . 2]" 1
963 1 17 MET QG 1 50 ILE MG 3.500 . 6.500 2.475 2.227 3.975 . 0 0 "[ . 1 . 2]" 1
964 1 17 MET ME 1 50 ILE MG 3.500 . 6.500 2.287 2.057 2.555 . 0 0 "[ . 1 . 2]" 1
965 1 29 ALA MB 1 50 ILE MG 3.500 . 6.500 2.025 1.908 2.311 . 0 0 "[ . 1 . 2]" 1
966 1 23 VAL MG2 1 60 MET ME 5.000 . 8.000 3.648 2.626 4.229 . 0 0 "[ . 1 . 2]" 1
967 1 76 ASP HA 1 79 ALA MB 3.500 . 5.000 2.279 2.246 2.340 . 0 0 "[ . 1 . 2]" 1
968 1 79 ALA MB 1 80 HIS QB 5.000 . 7.500 4.070 3.943 4.160 . 0 0 "[ . 1 . 2]" 1
969 1 11 ILE MG 1 23 VAL QG 3.500 . 6.500 3.581 3.392 3.948 . 0 0 "[ . 1 . 2]" 1
970 1 23 VAL QG 1 60 MET ME 3.500 . 6.500 3.490 2.581 3.970 . 0 0 "[ . 1 . 2]" 1
971 1 23 VAL QG 1 58 LEU QD 3.500 . 6.500 2.024 1.836 2.512 . 0 0 "[ . 1 . 2]" 1
972 1 16 ARG HA 1 23 VAL QG 3.500 . 5.000 2.477 2.271 2.683 . 0 0 "[ . 1 . 2]" 1
973 1 14 TYR HA 1 23 VAL QG 3.500 . 5.000 3.214 2.417 3.796 . 0 0 "[ . 1 . 2]" 1
974 1 29 ALA MB 1 30 ILE MG 3.500 . 6.500 2.745 2.655 2.831 . 0 0 "[ . 1 . 2]" 1
975 1 17 MET ME 1 29 ALA MB 3.500 . 6.500 2.459 2.251 2.918 . 0 0 "[ . 1 . 2]" 1
976 1 24 PHE QB 1 29 ALA MB 3.500 . 6.500 2.763 2.299 3.055 . 0 0 "[ . 1 . 2]" 1
977 1 15 GLY QA 1 29 ALA MB 3.500 . 6.500 2.433 2.256 2.644 . 0 0 "[ . 1 . 2]" 1
978 1 17 MET ME 1 47 VAL HA 3.500 . 5.000 4.138 4.022 4.262 . 0 0 "[ . 1 . 2]" 1
979 1 17 MET ME 1 41 PRO QD 3.500 . 6.500 2.457 2.070 3.440 . 0 0 "[ . 1 . 2]" 1
980 1 17 MET ME 1 29 ALA HA 3.500 . 5.000 3.135 2.798 3.675 . 0 0 "[ . 1 . 2]" 1
981 1 17 MET ME 1 47 VAL QG 3.500 . 6.500 1.853 1.765 2.035 0.035 4 0 "[ . 1 . 2]" 1
982 1 64 VAL QG 1 67 CYS QB 3.500 . 6.000 3.346 2.724 3.998 . 0 0 "[ . 1 . 2]" 1
983 1 13 VAL QG 1 26 TYR QB 3.500 . 6.000 2.745 2.608 2.835 . 0 0 "[ . 1 . 2]" 1
984 1 13 VAL QG 1 52 GLN QB 3.500 . 6.000 2.289 2.056 2.687 . 0 0 "[ . 1 . 2]" 1
985 1 13 VAL QG 1 52 GLN QG 3.500 . 6.000 2.977 2.276 3.291 . 0 0 "[ . 1 . 2]" 1
986 1 17 MET QB 1 47 VAL QG 3.500 . 6.000 2.316 2.191 3.521 . 0 0 "[ . 1 . 2]" 1
987 1 17 MET QG 1 47 VAL QG 3.500 . 6.000 3.452 2.116 3.680 . 0 0 "[ . 1 . 2]" 1
988 1 40 CYS QB 1 47 VAL QG 3.500 . 6.000 2.627 2.143 3.265 . 0 0 "[ . 1 . 2]" 1
989 1 41 PRO QD 1 47 VAL QG 3.500 . 6.000 3.179 2.968 3.552 . 0 0 "[ . 1 . 2]" 1
990 1 39 MET HA 1 47 VAL QG 3.500 . 5.000 2.644 2.066 3.301 . 0 0 "[ . 1 . 2]" 1
991 1 46 PRO HA 1 47 VAL QG 5.000 . 6.500 3.845 3.416 4.745 . 0 0 "[ . 1 . 2]" 1
992 1 39 MET QG 1 47 VAL QG 3.500 . 6.000 3.674 3.321 4.074 . 0 0 "[ . 1 . 2]" 1
993 1 38 LYS QB 1 47 VAL QG 3.500 . 6.000 3.520 2.340 4.215 . 0 0 "[ . 1 . 2]" 1
994 1 17 MET HA 1 47 VAL QG 3.500 . 5.000 3.505 3.211 3.853 . 0 0 "[ . 1 . 2]" 1
995 1 58 LEU QD 1 72 LEU HA 3.500 . 5.000 2.984 2.783 3.103 . 0 0 "[ . 1 . 2]" 1
996 1 58 LEU QD 1 72 LEU QD 3.500 . 6.500 2.411 2.192 2.789 . 0 0 "[ . 1 . 2]" 1
997 1 58 LEU QD 1 70 THR HB 3.500 . 5.000 2.510 2.285 2.797 . 0 0 "[ . 1 . 2]" 1
998 1 53 CYS QB 1 58 LEU QD 5.000 . 7.500 2.621 2.126 2.923 . 0 0 "[ . 1 . 2]" 1
999 1 59 PHE QB 1 77 LEU QD 3.500 . 6.000 2.009 1.888 2.108 . 0 0 "[ . 1 . 2]" 1
1000 1 74 GLN HA 1 77 LEU QD 3.500 . 5.000 2.942 2.521 3.173 . 0 0 "[ . 1 . 2]" 1
1001 1 21 LYS HA 1 72 LEU QD 5.000 . 6.500 4.653 4.525 4.730 . 0 0 "[ . 1 . 2]" 1
1002 1 60 MET QG 1 70 THR MG 3.500 . 5.000 2.287 2.063 3.302 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 38
_Distance_constraint_stats_list.Viol_count 294
_Distance_constraint_stats_list.Viol_total 365.174
_Distance_constraint_stats_list.Viol_max 0.180
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.0621
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 14 TYR 0.618 0.056 13 0 "[ . 1 . 2]"
1 15 GLY 3.295 0.158 4 0 "[ . 1 . 2]"
1 16 ARG 0.500 0.055 12 0 "[ . 1 . 2]"
1 17 MET 2.886 0.156 15 0 "[ . 1 . 2]"
1 22 HIS 2.886 0.156 15 0 "[ . 1 . 2]"
1 24 PHE 3.295 0.158 4 0 "[ . 1 . 2]"
1 27 ASP 0.959 0.117 16 0 "[ . 1 . 2]"
1 28 CYS 0.222 0.055 16 0 "[ . 1 . 2]"
1 29 ALA 1.367 0.122 5 0 "[ . 1 . 2]"
1 30 ILE 0.011 0.010 14 0 "[ . 1 . 2]"
1 31 LEU 1.457 0.117 16 0 "[ . 1 . 2]"
1 32 HIS 0.222 0.055 16 0 "[ . 1 . 2]"
1 33 GLU 1.367 0.122 5 0 "[ . 1 . 2]"
1 34 LYS 0.011 0.010 14 0 "[ . 1 . 2]"
1 35 LYS 0.498 0.071 10 0 "[ . 1 . 2]"
1 51 GLU 0.500 0.055 12 0 "[ . 1 . 2]"
1 53 CYS 0.618 0.056 13 0 "[ . 1 . 2]"
1 75 ARG 0.603 0.061 2 0 "[ . 1 . 2]"
1 76 ASP 1.663 0.151 14 0 "[ . 1 . 2]"
1 77 LEU 1.100 0.090 10 0 "[ . 1 . 2]"
1 78 GLN 2.971 0.180 8 0 "[ . 1 . 2]"
1 79 ALA 2.027 0.115 12 0 "[ . 1 . 2]"
1 80 HIS 1.804 0.151 14 0 "[ . 1 . 2]"
1 81 ILE 1.100 0.090 10 0 "[ . 1 . 2]"
1 82 ASN 2.971 0.180 8 0 "[ . 1 . 2]"
1 83 HIS 1.424 0.115 12 0 "[ . 1 . 2]"
1 84 ARG 0.141 0.058 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 75 ARG O 1 79 ALA H 2.200 . 2.200 2.230 2.191 2.261 0.061 2 0 "[ . 1 . 2]" 2
2 1 75 ARG O 1 79 ALA N 3.300 2.200 3.300 2.995 2.930 3.055 . 0 0 "[ . 1 . 2]" 2
3 1 76 ASP O 1 80 HIS H 2.200 . 2.200 2.283 2.239 2.351 0.151 14 0 "[ . 1 . 2]" 2
4 1 76 ASP O 1 80 HIS N 3.300 2.200 3.300 2.865 2.810 2.954 . 0 0 "[ . 1 . 2]" 2
5 1 77 LEU O 1 81 ILE H 2.200 . 2.200 2.252 2.131 2.290 0.090 10 0 "[ . 1 . 2]" 2
6 1 77 LEU O 1 81 ILE N 3.300 2.200 3.300 3.165 3.040 3.247 . 0 0 "[ . 1 . 2]" 2
7 1 78 GLN O 1 82 ASN H 2.200 . 2.200 2.332 2.259 2.380 0.180 8 0 "[ . 1 . 2]" 2
8 1 78 GLN O 1 82 ASN N 3.300 2.200 3.300 3.311 3.237 3.363 0.063 8 0 "[ . 1 . 2]" 2
9 1 79 ALA O 1 83 HIS H 2.200 . 2.200 2.271 2.213 2.315 0.115 12 0 "[ . 1 . 2]" 2
10 1 79 ALA O 1 83 HIS N 3.300 2.200 3.300 2.942 2.876 3.021 . 0 0 "[ . 1 . 2]" 2
11 1 80 HIS O 1 84 ARG H 2.200 . 2.200 2.072 1.890 2.258 0.058 3 0 "[ . 1 . 2]" 2
12 1 80 HIS O 1 84 ARG N 3.300 2.200 3.300 2.837 2.553 2.948 . 0 0 "[ . 1 . 2]" 2
13 1 27 ASP O 1 31 LEU H 2.200 . 2.200 2.235 2.018 2.317 0.117 16 0 "[ . 1 . 2]" 2
14 1 27 ASP O 1 31 LEU N 3.300 2.200 3.300 3.134 2.915 3.241 . 0 0 "[ . 1 . 2]" 2
15 1 28 CYS O 1 32 HIS H 2.200 . 2.200 2.093 1.838 2.255 0.055 16 0 "[ . 1 . 2]" 2
16 1 28 CYS O 1 32 HIS N 3.300 2.200 3.300 2.901 2.643 3.146 . 0 0 "[ . 1 . 2]" 2
17 1 29 ALA O 1 33 GLU H 2.200 . 2.200 2.268 2.223 2.322 0.122 5 0 "[ . 1 . 2]" 2
18 1 29 ALA O 1 33 GLU N 3.300 2.200 3.300 3.156 2.943 3.305 0.005 5 0 "[ . 1 . 2]" 2
19 1 30 ILE O 1 34 LYS H 2.200 . 2.200 1.916 1.790 2.115 0.010 14 0 "[ . 1 . 2]" 2
20 1 30 ILE O 1 34 LYS N 3.300 2.200 3.300 2.798 2.612 2.956 . 0 0 "[ . 1 . 2]" 2
21 1 31 LEU O 1 35 LYS H 2.200 . 2.200 2.217 2.134 2.271 0.071 10 0 "[ . 1 . 2]" 2
22 1 31 LEU O 1 35 LYS N 3.300 2.200 3.300 2.978 2.882 3.066 . 0 0 "[ . 1 . 2]" 2
23 1 14 TYR H 1 53 CYS O 2.200 . 2.200 2.057 1.880 2.139 . 0 0 "[ . 1 . 2]" 2
24 1 14 TYR N 1 53 CYS O 3.300 2.200 3.300 2.953 2.776 3.030 . 0 0 "[ . 1 . 2]" 2
25 1 16 ARG H 1 51 GLU O 2.200 . 2.200 1.816 1.745 1.922 0.055 12 0 "[ . 1 . 2]" 2
26 1 16 ARG N 1 51 GLU O 3.300 2.200 3.300 2.571 2.443 2.640 . 0 0 "[ . 1 . 2]" 2
27 1 14 TYR O 1 53 CYS H 2.200 . 2.200 2.231 2.210 2.256 0.056 13 0 "[ . 1 . 2]" 2
28 1 14 TYR O 1 53 CYS N 3.300 2.200 3.300 2.957 2.850 3.066 . 0 0 "[ . 1 . 2]" 2
29 1 16 ARG O 1 51 GLU H 2.200 . 2.200 1.822 1.762 1.982 0.038 4 0 "[ . 1 . 2]" 2
30 1 16 ARG O 1 51 GLU N 3.300 2.200 3.300 2.772 2.691 2.933 . 0 0 "[ . 1 . 2]" 2
31 1 15 GLY O 1 24 PHE H 2.200 . 2.200 2.300 2.229 2.358 0.158 4 0 "[ . 1 . 2]" 2
32 1 15 GLY O 1 24 PHE N 3.300 2.200 3.300 3.029 2.841 3.149 . 0 0 "[ . 1 . 2]" 2
33 1 17 MET O 1 22 HIS H 2.200 . 2.200 2.321 2.256 2.356 0.156 15 0 "[ . 1 . 2]" 2
34 1 17 MET O 1 22 HIS N 3.300 2.200 3.300 3.071 2.960 3.168 . 0 0 "[ . 1 . 2]" 2
35 1 15 GLY H 1 24 PHE O 2.200 . 2.200 1.735 1.666 1.780 0.134 11 0 "[ . 1 . 2]" 2
36 1 15 GLY N 1 24 PHE O 3.300 2.200 3.300 2.564 2.450 2.713 . 0 0 "[ . 1 . 2]" 2
37 1 17 MET H 1 22 HIS O 2.200 . 2.200 1.871 1.733 2.222 0.067 5 0 "[ . 1 . 2]" 2
38 1 17 MET N 1 22 HIS O 3.300 2.200 3.300 2.787 2.578 3.155 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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