NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
546572 |
2luj   |
18524 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2luj
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 1077
_Distance_constraint_stats_list.Viol_count 3944
_Distance_constraint_stats_list.Viol_total 34052.434
_Distance_constraint_stats_list.Viol_max 4.580
_Distance_constraint_stats_list.Viol_rms 0.5134
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1235
_Distance_constraint_stats_list.Viol_average_violations_only 0.5396
_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 DT 162.873 3.313 16 16 [***************+]
1 2 . 88.064 2.013 9 16 [*******-+*******]
1 3 . 44.436 0.866 14 16 [*******-*****+**]
1 4 . 33.297 0.955 3 16 [**+************-]
1 5 . 217.606 4.563 7 16 [-*****+*********]
1 6 DT 183.052 3.449 10 16 [*********+*****-]
2 1 DT 162.208 3.317 5 16 [****+******-****]
2 2 . 88.180 1.967 3 16 [-*+*************]
2 3 . 41.015 0.701 8 16 [****-**+********]
2 4 . 31.165 0.923 4 16 [***+-***********]
2 5 . 146.058 3.377 5 16 [*-**+***********]
2 6 DT 250.252 4.580 5 16 [****+********-**]
3 1 DT 164.497 3.310 7 16 [***-**+*********]
3 2 . 89.356 2.023 16 16 [*********-*****+]
3 3 . 39.458 0.750 3 13 "[**+-**** * * ***]"
3 4 . 29.846 0.945 5 16 [***-+***********]
3 5 . 225.610 4.580 5 16 [*-**+***********]
3 6 DT 190.606 3.929 12 16 [**-********+****]
4 1 DT 164.684 3.316 6 16 [*****+**********]
4 2 . 88.727 2.049 16 16 [***-***********+]
4 3 . 41.166 0.709 5 16 [****+**-********]
4 4 . 32.018 0.897 12 16 [*******-***+****]
4 5 . 143.416 3.477 16 16 [***********-***+]
4 6 DT 182.392 3.477 16 16 [**********-****+]
5 1 DT 163.935 3.310 5 16 [****+*********-*]
5 2 . 88.908 2.040 9 16 [********+*****-*]
5 3 . 41.172 0.675 9 16 [********+*****-*]
5 4 . 30.488 0.999 12 16 [**********-+****]
5 5 . 142.845 3.351 6 16 [-****+**********]
5 6 DT 251.625 4.563 7 16 [******+*-*******]
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 DT H1' 5 1 DT Q5' 5.200 4.500 5.900 7.113 7.022 7.233 1.333 7 16 [******+*******-*] 1
2 1 1 DT H3' 1 1 DT Q5' 6.100 5.400 6.800 2.095 2.087 2.103 3.313 16 16 [**-************+] 1
3 1 1 DT Q5' 1 1 DT H6 3.100 2.400 3.800 2.430 2.420 2.444 . 0 0 "[ . 1 . ]" 1
4 1 2 . H4' 5 1 DT Q5' 4.700 4.000 5.700 2.918 2.839 2.972 1.161 1 16 [+-**************] 1
5 1 1 DT H1' 1 1 DT H6 3.100 2.400 3.800 3.704 3.689 3.718 . 0 0 "[ . 1 . ]" 1
6 1 1 DT H1' 1 1 DT H2' 3.100 2.400 3.800 2.972 2.967 2.975 . 0 0 "[ . 1 . ]" 1
7 1 1 DT H2' 1 1 DT H2'' 2.000 . 2.300 1.823 1.821 1.825 . 0 0 "[ . 1 . ]" 1
8 1 1 DT H2' 1 1 DT H3' 2.600 . 3.300 2.327 2.321 2.332 . 0 0 "[ . 1 . ]" 1
9 1 1 DT H2' 1 1 DT H5' 4.700 4.000 5.400 4.269 4.256 4.290 . 0 0 "[ . 1 . ]" 1
10 1 1 DT H2' 1 1 DT H5'' 3.600 2.900 4.300 2.822 2.809 2.847 0.091 14 0 "[ . 1 . ]" 1
11 1 1 DT H2' 1 1 DT H6 2.600 . 3.300 2.419 2.305 2.498 . 0 0 "[ . 1 . ]" 1
12 1 1 DT H2' 1 2 . H5'' 4.000 3.300 4.700 4.398 4.140 4.554 . 0 0 "[ . 1 . ]" 1
13 1 1 DT H2' 1 2 . H8 4.000 3.300 4.700 4.500 4.391 4.662 . 0 0 "[ . 1 . ]" 1
14 1 1 DT H1' 1 1 DT H2'' 2.600 . 3.300 2.267 2.266 2.269 . 0 0 "[ . 1 . ]" 1
15 1 1 DT H2'' 1 1 DT H3' 2.900 2.200 3.600 2.774 2.773 2.777 . 0 0 "[ . 1 . ]" 1
16 1 1 DT H2'' 1 1 DT H5' 4.700 4.000 5.400 5.127 5.109 5.148 . 0 0 "[ . 1 . ]" 1
17 1 1 DT H2'' 1 1 DT H5'' 4.100 3.400 4.800 4.119 4.112 4.134 . 0 0 "[ . 1 . ]" 1
18 1 1 DT H2'' 1 1 DT H6 3.200 2.500 3.900 3.935 3.865 3.981 0.081 12 0 "[ . 1 . ]" 1
19 1 1 DT H2'' 1 2 . H4' 4.100 3.400 4.800 4.384 4.257 4.504 . 0 0 "[ . 1 . ]" 1
20 1 1 DT H2'' 1 2 . H5'' 2.900 2.200 3.600 2.759 2.490 2.941 . 0 0 "[ . 1 . ]" 1
21 1 1 DT H2'' 1 2 . H5' 4.300 3.600 5.000 4.283 4.095 4.411 . 0 0 "[ . 1 . ]" 1
22 1 1 DT H2'' 1 2 . H8 4.200 3.500 4.900 4.395 4.302 4.511 . 0 0 "[ . 1 . ]" 1
23 1 1 DT H1' 1 1 DT H3' 4.100 3.400 4.800 3.976 3.972 3.985 . 0 0 "[ . 1 . ]" 1
24 1 1 DT H3' 1 1 DT H6 3.600 2.900 4.300 3.684 3.596 3.732 . 0 0 "[ . 1 . ]" 1
25 1 1 DT H3' 1 2 . H8 3.600 2.900 4.300 3.051 2.934 3.176 . 0 0 "[ . 1 . ]" 1
26 1 3 . H4' 5 2 . H8 3.600 2.900 4.300 3.196 3.073 3.320 . 0 0 "[ . 1 . ]" 1
27 1 1 DT H1' 1 1 DT H4' 3.600 2.900 4.300 3.546 3.532 3.569 . 0 0 "[ . 1 . ]" 1
28 1 1 DT H4' 1 1 DT H6 4.700 4.000 5.400 4.107 4.072 4.150 . 0 0 "[ . 1 . ]" 1
29 1 1 DT H1' 1 1 DT H5' 4.300 3.600 5.000 5.083 5.079 5.090 0.090 12 0 "[ . 1 . ]" 1
30 1 1 DT H1' 1 2 . H5'' 4.100 3.400 4.800 4.336 4.101 4.540 . 0 0 "[ . 1 . ]" 1
31 1 1 DT H3' 1 1 DT H5' 3.000 2.300 3.700 2.984 2.941 3.031 . 0 0 "[ . 1 . ]" 1
32 1 1 DT H5' 1 1 DT H6 4.500 3.800 5.200 3.717 3.702 3.729 0.098 16 0 "[ . 1 . ]" 1
33 1 1 DT H1' 1 1 DT H5'' 4.300 3.600 5.000 4.531 4.517 4.547 . 0 0 "[ . 1 . ]" 1
34 1 1 DT H3' 1 1 DT H5'' 2.700 . 3.400 2.140 2.127 2.153 . 0 0 "[ . 1 . ]" 1
35 1 1 DT H5'' 1 1 DT H6 3.200 2.500 3.900 2.463 2.452 2.479 0.048 13 0 "[ . 1 . ]" 1
36 1 1 DT H5'' 1 2 . H8 5.200 4.500 5.900 4.835 4.731 4.959 . 0 0 "[ . 1 . ]" 1
37 1 2 . H1' 1 2 . H3' 4.300 3.600 5.000 4.055 4.042 4.064 . 0 0 "[ . 1 . ]" 1
38 1 2 . H1' 1 2 . H8 3.900 3.200 4.600 3.837 3.826 3.845 . 0 0 "[ . 1 . ]" 1
39 1 2 . H1' 1 3 . H8 3.900 3.200 4.600 4.069 3.894 4.226 . 0 0 "[ . 1 . ]" 1
40 1 2 . H1' 1 2 . H2' 3.000 2.300 3.700 2.943 2.930 2.956 . 0 0 "[ . 1 . ]" 1
41 1 2 . H2' 1 2 . H3' 2.500 . 3.200 2.281 2.275 2.284 . 0 0 "[ . 1 . ]" 1
42 1 2 . H2' 1 2 . H4' 4.500 3.800 5.200 3.995 3.974 4.013 . 0 0 "[ . 1 . ]" 1
43 1 2 . H2' 1 2 . H5'' 4.300 3.600 5.000 4.403 4.349 4.458 . 0 0 "[ . 1 . ]" 1
44 1 2 . H2' 1 2 . H5' 4.000 3.300 4.700 3.649 3.567 3.763 . 0 0 "[ . 1 . ]" 1
45 1 2 . H2' 1 2 . H8 2.500 . 3.200 2.051 2.039 2.060 . 0 0 "[ . 1 . ]" 1
46 1 2 . H2' 1 3 . H8 4.000 3.300 4.700 3.919 3.709 4.106 . 0 0 "[ . 1 . ]" 1
47 1 2 . H1' 1 2 . H2'' 2.700 . 3.400 2.257 2.252 2.261 . 0 0 "[ . 1 . ]" 1
48 1 2 . H2' 1 2 . H2'' 2.000 . 2.300 1.821 1.820 1.823 . 0 0 "[ . 1 . ]" 1
49 1 2 . H2'' 1 2 . H3' 2.800 2.100 3.500 2.822 2.806 2.838 . 0 0 "[ . 1 . ]" 1
50 1 2 . H2'' 1 2 . H4' 4.300 3.600 5.000 3.918 3.889 3.946 . 0 0 "[ . 1 . ]" 1
51 1 2 . H2'' 1 2 . H8 3.000 2.300 3.700 3.719 3.705 3.733 0.033 9 0 "[ . 1 . ]" 1
52 1 2 . H2'' 1 3 . H8 3.000 2.300 3.700 2.586 2.474 2.748 . 0 0 "[ . 1 . ]" 1
53 1 2 . H3' 1 2 . H8 4.100 3.400 4.800 3.595 3.518 3.675 . 0 0 "[ . 1 . ]" 1
54 1 2 . H3' 1 3 . H8 4.700 4.000 5.400 5.084 4.949 5.258 . 0 0 "[ . 1 . ]" 1
55 1 2 . H1' 1 2 . H4' 3.800 3.100 4.500 3.715 3.702 3.729 . 0 0 "[ . 1 . ]" 1
56 1 2 . H3' 1 2 . H4' 2.900 2.200 3.600 2.753 2.744 2.764 . 0 0 "[ . 1 . ]" 1
57 1 2 . H4' 1 2 . H8 5.000 4.300 5.700 4.829 4.803 4.858 . 0 0 "[ . 1 . ]" 1
58 1 2 . H4' 1 3 . H5'' 3.400 3.200 4.100 3.856 3.751 3.964 . 0 0 "[ . 1 . ]" 1
59 1 2 . H4' 1 3 . H5' 4.500 3.800 5.200 5.182 5.113 5.213 0.013 5 0 "[ . 1 . ]" 1
60 1 2 . H3' 1 2 . H5'' 3.000 2.300 3.700 3.518 3.512 3.530 . 0 0 "[ . 1 . ]" 1
61 1 2 . H4' 1 2 . H5'' 2.700 . 3.400 2.376 2.358 2.405 . 0 0 "[ . 1 . ]" 1
62 1 2 . H5' 1 2 . H5'' 2.000 . 2.300 1.779 1.778 1.780 0.022 6 0 "[ . 1 . ]" 1
63 1 2 . H5'' 1 2 . H8 4.900 4.200 5.600 4.180 4.154 4.209 0.046 14 0 "[ . 1 . ]" 1
64 1 2 . H3' 1 2 . H5' 2.800 2.100 3.500 2.194 2.176 2.238 . 0 0 "[ . 1 . ]" 1
65 1 2 . H4' 1 2 . H5' 2.700 . 3.400 2.558 2.522 2.579 . 0 0 "[ . 1 . ]" 1
66 1 2 . H5' 1 2 . H8 4.500 3.800 5.200 3.832 3.784 3.926 0.016 6 0 "[ . 1 . ]" 1
67 1 3 . H1' 1 3 . H3' 3.800 3.100 4.500 3.973 3.954 3.995 . 0 0 "[ . 1 . ]" 1
68 1 3 . H1' 1 3 . H2' 2.900 2.200 3.600 3.009 2.998 3.022 . 0 0 "[ . 1 . ]" 1
69 1 3 . H2' 1 3 . H3' 2.600 . 3.300 2.285 2.280 2.295 . 0 0 "[ . 1 . ]" 1
70 1 3 . H2' 1 3 . H4' 4.500 3.800 5.200 3.946 3.926 3.965 . 0 0 "[ . 1 . ]" 1
71 1 3 . H2' 1 3 . H8 2.500 . 3.200 2.088 2.074 2.110 . 0 0 "[ . 1 . ]" 1
72 1 3 . H2' 1 4 . H8 4.200 3.500 4.900 3.876 3.640 4.150 . 0 0 "[ . 1 . ]" 1
73 1 3 . H1' 1 3 . H2'' 2.600 . 3.300 2.290 2.284 2.298 . 0 0 "[ . 1 . ]" 1
74 1 3 . H2' 1 3 . H2'' 1.900 . 2.200 1.828 1.826 1.830 . 0 0 "[ . 1 . ]" 1
75 1 3 . H2'' 1 3 . H3' 2.800 2.100 3.500 2.793 2.779 2.806 . 0 0 "[ . 1 . ]" 1
76 1 3 . H2'' 1 3 . H4' 4.700 4.000 5.400 3.928 3.914 3.953 0.086 4 0 "[ . 1 . ]" 1
77 1 3 . H2'' 1 3 . H8 3.100 2.400 3.800 3.668 3.648 3.694 . 0 0 "[ . 1 . ]" 1
78 1 3 . H2'' 1 4 . H8 3.100 2.400 3.800 2.603 2.399 2.966 0.001 6 0 "[ . 1 . ]" 1
79 1 3 . H3' 1 3 . H8 4.000 3.300 4.700 3.919 3.857 3.998 . 0 0 "[ . 1 . ]" 1
80 1 3 . H1' 1 3 . H4' 3.600 2.900 4.300 3.458 3.430 3.500 . 0 0 "[ . 1 . ]" 1
81 1 3 . H3' 1 3 . H4' 2.900 2.200 3.600 2.789 2.777 2.798 . 0 0 "[ . 1 . ]" 1
82 1 3 . H4' 1 3 . H8 5.100 4.400 5.800 5.006 4.984 5.021 . 0 0 "[ . 1 . ]" 1
83 1 3 . H4' 1 4 . H5'' 5.200 4.500 5.400 4.723 4.536 5.015 . 0 0 "[ . 1 . ]" 1
84 1 3 . H3' 1 3 . H5'' 3.000 2.300 3.700 3.546 3.541 3.550 . 0 0 "[ . 1 . ]" 1
85 1 3 . H4' 1 3 . H5'' 2.800 2.100 3.500 2.449 2.429 2.467 . 0 0 "[ . 1 . ]" 1
86 1 3 . H5'' 1 3 . H8 5.100 4.400 5.800 4.402 4.365 4.491 0.035 14 0 "[ . 1 . ]" 1
87 1 3 . H5'' 5 2 . H8 4.900 4.200 5.600 5.233 5.100 5.392 . 0 0 "[ . 1 . ]" 1
88 1 3 . H3' 1 3 . H5' 2.900 2.200 3.600 2.357 2.324 2.393 . 0 0 "[ . 1 . ]" 1
89 1 3 . H4' 1 3 . H5' 2.700 . 3.400 2.453 2.436 2.470 . 0 0 "[ . 1 . ]" 1
90 1 3 . H5' 1 3 . H5'' 1.900 . 2.200 1.777 1.776 1.778 0.024 7 0 "[ . 1 . ]" 1
91 1 3 . H5' 1 3 . H8 4.300 4.200 4.600 4.606 4.542 4.632 0.032 3 0 "[ . 1 . ]" 1
92 1 3 . H5' 5 2 . H8 5.300 5.200 5.600 5.416 5.272 5.604 0.004 9 0 "[ . 1 . ]" 1
93 1 4 . H1' 1 4 . H3' 4.500 3.800 5.200 3.930 3.908 3.962 . 0 0 "[ . 1 . ]" 1
94 1 4 . H1' 1 4 . H8 4.700 4.000 5.400 3.896 3.892 3.903 0.108 11 0 "[ . 1 . ]" 1
95 1 4 . H1' 1 5 . H8 4.700 4.000 5.400 4.784 4.610 4.990 . 0 0 "[ . 1 . ]" 1
96 1 4 . H1' 5 3 . H8 5.400 4.700 6.100 5.720 5.464 6.031 . 0 0 "[ . 1 . ]" 1
97 1 4 . H1' 1 4 . H2' 3.400 2.700 4.100 2.993 2.974 3.005 . 0 0 "[ . 1 . ]" 1
98 1 4 . H2' 1 4 . H2'' 1.900 . 2.200 1.824 1.822 1.826 . 0 0 "[ . 1 . ]" 1
99 1 4 . H2' 1 4 . H3' 2.700 . 3.400 2.291 2.282 2.299 . 0 0 "[ . 1 . ]" 1
100 1 4 . H2' 1 4 . H4' 4.500 3.800 5.200 3.944 3.928 3.966 . 0 0 "[ . 1 . ]" 1
101 1 4 . H2' 1 4 . H8 2.600 . 3.300 2.227 2.167 2.294 . 0 0 "[ . 1 . ]" 1
102 1 4 . H2' 1 5 . H5'' 4.700 4.000 5.400 4.759 4.567 4.941 . 0 0 "[ . 1 . ]" 1
103 1 4 . H2' 1 5 . H8 3.500 2.800 4.200 3.308 3.183 3.546 . 0 0 "[ . 1 . ]" 1
104 1 4 . H1' 1 4 . H2'' 2.600 . 3.300 2.282 2.266 2.294 . 0 0 "[ . 1 . ]" 1
105 1 4 . H2'' 1 4 . H3' 2.800 2.100 3.500 2.813 2.798 2.832 . 0 0 "[ . 1 . ]" 1
106 1 4 . H2'' 1 4 . H4' 4.200 3.500 4.900 3.807 3.752 3.843 . 0 0 "[ . 1 . ]" 1
107 1 4 . H2'' 1 4 . H8 3.200 2.500 3.900 3.813 3.740 3.887 . 0 0 "[ . 1 . ]" 1
108 1 4 . H2'' 1 5 . H5'' 3.200 2.500 3.900 3.039 2.828 3.228 . 0 0 "[ . 1 . ]" 1
109 1 4 . H2'' 1 5 . H8 3.200 2.500 3.900 3.086 2.831 3.338 . 0 0 "[ . 1 . ]" 1
110 1 4 . H3' 1 4 . H8 3.900 3.200 4.600 3.916 3.778 4.013 . 0 0 "[ . 1 . ]" 1
111 1 4 . H1' 1 4 . H4' 3.400 2.700 4.100 3.217 3.128 3.315 . 0 0 "[ . 1 . ]" 1
112 1 4 . H4' 1 4 . H5'' 2.400 . 3.100 2.358 2.346 2.394 . 0 0 "[ . 1 . ]" 1
113 1 4 . H4' 1 4 . H5' 2.300 . 3.000 2.555 2.510 2.568 . 0 0 "[ . 1 . ]" 1
114 1 4 . H4' 5 3 . H8 4.100 3.400 4.800 3.804 3.596 4.018 . 0 0 "[ . 1 . ]" 1
115 1 3 . H1' 1 3 . H8 4.100 3.400 4.800 3.866 3.860 3.873 . 0 0 "[ . 1 . ]" 1
116 1 4 . H3' 1 4 . H5'' 3.800 3.100 4.500 3.516 3.509 3.533 . 0 0 "[ . 1 . ]" 1
117 1 4 . H5'' 1 4 . H8 4.800 4.100 5.500 4.718 4.517 4.999 . 0 0 "[ . 1 . ]" 1
118 1 4 . H5'' 5 2 . H8 4.900 4.200 5.600 4.241 4.172 4.514 0.028 9 0 "[ . 1 . ]" 1
119 1 4 . H5'' 5 3 . H8 5.300 4.600 6.000 4.803 4.597 5.041 0.003 6 0 "[ . 1 . ]" 1
120 1 4 . H3' 1 4 . H5' 2.700 . 3.400 2.220 2.192 2.291 . 0 0 "[ . 1 . ]" 1
121 1 4 . H5' 1 4 . H5'' 1.900 . 2.200 1.777 1.774 1.778 0.026 9 0 "[ . 1 . ]" 1
122 1 5 . H1' 1 5 . H8 4.000 3.300 4.700 3.811 3.802 3.827 . 0 0 "[ . 1 . ]" 1
123 1 5 . H1' 1 6 DT H6 4.500 3.800 5.200 3.843 3.791 3.902 0.009 11 0 "[ . 1 . ]" 1
124 1 5 . H1' 1 5 . H2' 2.900 2.200 3.600 3.025 3.021 3.027 . 0 0 "[ . 1 . ]" 1
125 1 5 . H2' 1 5 . H3' 2.500 . 3.200 2.248 2.245 2.254 . 0 0 "[ . 1 . ]" 1
126 1 5 . H2' 1 5 . H4' 3.700 3.000 4.400 3.880 3.876 3.884 . 0 0 "[ . 1 . ]" 1
127 1 5 . H2' 1 5 . H8 2.300 . 3.000 1.996 1.977 2.028 . 0 0 "[ . 1 . ]" 1
128 1 5 . H2' 1 6 DT H6 4.900 4.200 5.600 4.125 4.112 4.147 0.088 7 0 "[ . 1 . ]" 1
129 1 5 . H1' 1 5 . H2'' 2.400 . 3.100 2.312 2.305 2.316 . 0 0 "[ . 1 . ]" 1
130 1 5 . H2' 1 5 . H2'' 1.900 . 2.200 1.816 1.813 1.817 . 0 0 "[ . 1 . ]" 1
131 1 5 . H2'' 1 5 . H3' 2.600 . 3.300 2.817 2.813 2.821 . 0 0 "[ . 1 . ]" 1
132 1 5 . H2'' 1 5 . H4' 4.000 3.300 4.700 3.683 3.674 3.696 . 0 0 "[ . 1 . ]" 1
133 1 5 . H2'' 1 5 . H8 2.800 2.100 3.500 3.338 3.302 3.413 . 0 0 "[ . 1 . ]" 1
134 1 5 . H2'' 1 6 DT H6 3.600 2.900 4.300 3.098 3.080 3.129 . 0 0 "[ . 1 . ]" 1
135 1 5 . H1' 1 5 . H3' 3.600 2.900 4.300 3.814 3.805 3.823 . 0 0 "[ . 1 . ]" 1
136 1 5 . H3' 1 5 . H8 3.300 2.600 4.000 4.067 4.053 4.084 0.084 5 0 "[ . 1 . ]" 1
137 1 5 . H3' 1 6 DT H6 6.100 5.400 6.800 5.856 5.840 5.887 . 0 0 "[ . 1 . ]" 1
138 1 5 . H1' 1 5 . H4' 3.300 2.600 4.000 2.786 2.767 2.807 . 0 0 "[ . 1 . ]" 1
139 1 5 . H3' 1 5 . H4' 2.800 2.100 3.500 2.917 2.913 2.922 . 0 0 "[ . 1 . ]" 1
140 1 5 . H4' 1 5 . H5'' 2.400 . 3.100 2.610 2.608 2.612 . 0 0 "[ . 1 . ]" 1
141 1 5 . H4' 1 5 . H8 5.200 4.500 5.900 5.238 5.201 5.257 . 0 0 "[ . 1 . ]" 1
142 1 3 . H1' 1 4 . H8 4.000 3.300 4.700 4.363 4.078 4.688 . 0 0 "[ . 1 . ]" 1
143 1 4 . H1' 1 5 . H5'' 4.300 3.600 5.000 3.895 3.734 4.064 . 0 0 "[ . 1 . ]" 1
144 1 5 . H1' 1 5 . H5'' 4.700 4.000 5.400 4.436 4.429 4.446 . 0 0 "[ . 1 . ]" 1
145 1 5 . H3' 1 5 . H5'' 2.600 . 3.300 3.452 3.448 3.455 0.155 8 0 "[ . 1 . ]" 1
146 1 5 . H5'' 1 5 . H8 4.500 3.800 5.200 5.152 5.063 5.203 0.003 9 0 "[ . 1 . ]" 1
147 1 5 . H1' 5 6 DT Q5' 3.500 2.800 4.200 8.626 8.495 8.763 4.563 7 16 [******+****-****] 1
148 1 5 . H8 1 6 DT Q5' 5.500 4.800 6.200 5.166 5.099 5.291 . 0 0 "[ . 1 . ]" 1
149 1 6 DT H1' 1 6 DT Q5' 5.500 5.000 6.500 4.128 4.123 4.133 0.877 12 16 [***********+***-] 1
150 1 6 DT H3' 1 6 DT Q5' 6.000 5.300 6.700 2.093 2.088 2.096 3.212 3 16 [**+*****-*******] 1
151 1 6 DT Q5' 1 6 DT H6 3.000 2.300 3.700 2.982 2.913 3.018 . 0 0 "[ . 1 . ]" 1
152 1 5 . H8 1 6 DT H1' 4.900 4.200 5.600 5.773 5.758 5.795 0.195 13 0 "[ . 1 . ]" 1
153 1 6 DT H1' 1 6 DT H6 3.300 2.600 4.000 3.598 3.578 3.616 . 0 0 "[ . 1 . ]" 1
154 1 6 DT H1' 1 6 DT H2' 2.400 . 3.100 3.010 3.005 3.014 . 0 0 "[ . 1 . ]" 1
155 1 6 DT H2' 1 6 DT H3' 2.400 . 3.100 2.260 2.256 2.263 . 0 0 "[ . 1 . ]" 1
156 1 6 DT H2' 1 6 DT H5'' 4.100 3.400 4.800 3.650 3.635 3.687 . 0 0 "[ . 1 . ]" 1
157 1 6 DT H2' 1 6 DT H5' 3.200 2.500 3.900 4.059 4.050 4.066 0.166 16 0 "[ . 1 . ]" 1
158 1 6 DT H2' 1 6 DT H6 2.600 . 3.300 3.135 3.078 3.217 . 0 0 "[ . 1 . ]" 1
159 1 6 DT H1' 1 6 DT H3' 4.700 4.000 5.400 3.902 3.895 3.917 0.105 12 0 "[ . 1 . ]" 1
160 1 6 DT H3' 1 6 DT H5'' 3.200 2.500 3.800 2.739 2.724 2.770 . 0 0 "[ . 1 . ]" 1
161 1 6 DT H3' 1 6 DT H6 3.400 2.700 4.100 4.186 4.172 4.199 0.099 7 0 "[ . 1 . ]" 1
162 1 5 . H8 1 6 DT H4' 5.100 4.400 5.800 5.892 5.882 5.901 0.101 14 0 "[ . 1 . ]" 1
163 1 6 DT H1' 1 6 DT H4' 3.200 2.500 3.900 2.921 2.895 2.955 . 0 0 "[ . 1 . ]" 1
164 1 6 DT H2' 1 6 DT H4' 3.200 2.500 3.900 3.905 3.899 3.912 0.012 3 0 "[ . 1 . ]" 1
165 1 5 . H1' 1 6 DT H5'' 5.500 4.800 6.200 4.710 4.691 4.733 0.109 11 0 "[ . 1 . ]" 1
166 1 5 . H8 1 6 DT H5'' 6.000 5.300 6.700 5.360 5.284 5.500 0.016 12 0 "[ . 1 . ]" 1
167 1 6 DT H1' 1 6 DT H5'' 5.300 4.600 6.000 4.464 4.460 4.472 0.140 3 0 "[ . 1 . ]" 1
168 1 6 DT H5'' 1 6 DT H6 3.600 2.900 4.300 3.023 2.951 3.061 . 0 0 "[ . 1 . ]" 1
169 1 5 . H1' 1 6 DT H5' 5.500 4.800 6.200 5.436 5.415 5.465 . 0 0 "[ . 1 . ]" 1
170 1 5 . H3' 1 6 DT H5' 4.900 4.200 5.600 5.230 5.216 5.246 . 0 0 "[ . 1 . ]" 1
171 1 5 . H4' 1 6 DT H5' 6.000 5.300 6.700 6.199 6.170 6.221 . 0 0 "[ . 1 . ]" 1
172 1 6 DT H3' 1 6 DT H5' 2.600 . 3.300 2.172 2.159 2.178 . 0 0 "[ . 1 . ]" 1
173 1 6 DT H5' 1 6 DT H5'' 1.900 . 2.200 1.773 1.772 1.775 0.028 12 0 "[ . 1 . ]" 1
174 1 6 DT H5' 1 6 DT H6 4.000 3.300 4.700 4.557 4.494 4.585 . 0 0 "[ . 1 . ]" 1
175 1 2 . H4' 5 1 DT H5'' 4.600 3.900 5.300 3.923 3.875 3.983 0.025 1 0 "[ . 1 . ]" 1
176 1 4 . HN1 1 5 . HN62 5.500 4.500 6.500 4.574 4.370 4.952 0.130 6 0 "[ . 1 . ]" 1
177 1 4 . HN1 1 5 . HN61 4.500 4.200 5.200 4.981 4.758 5.339 0.139 14 0 "[ . 1 . ]" 1
178 1 3 . HN62 1 4 . HN1 5.500 4.500 6.500 5.246 5.230 5.276 . 0 0 "[ . 1 . ]" 1
179 1 3 . HN61 1 4 . HN1 4.500 4.200 5.200 5.707 5.576 5.838 0.638 5 8 "[****+ 1* *-]" 1
180 1 3 . HN1 1 4 . HN62 5.500 4.500 6.500 4.911 4.553 5.138 . 0 0 "[ . 1 . ]" 1
181 1 3 . HN1 1 4 . HN61 4.500 4.200 5.200 5.774 5.370 6.066 0.866 14 9 "[ . ***-**+**]" 1
182 1 2 . HN62 1 3 . HN1 5.500 4.500 6.500 5.250 5.235 5.278 . 0 0 "[ . 1 . ]" 1
183 1 2 . HN61 1 3 . HN1 4.500 4.200 5.200 5.632 5.518 5.710 0.510 3 2 "[ + . - 1 . ]" 1
184 1 4 . HN62 1 5 . HN1 5.500 4.500 6.500 5.245 5.228 5.263 . 0 0 "[ . 1 . ]" 1
185 1 4 . HN61 1 5 . HN1 4.500 4.200 5.200 6.017 5.765 6.155 0.955 3 16 [**+**********-**] 1
186 1 2 . HN1 1 3 . HN62 5.500 4.500 6.500 5.116 4.927 5.309 . 0 0 "[ . 1 . ]" 1
187 1 2 . HN1 1 3 . HN61 4.900 4.600 5.600 6.155 5.949 6.369 0.769 13 11 "[ * *.** **-*+*.*]" 1
188 1 5 . HN1 1 6 DT H6 5.500 4.500 6.500 5.652 5.537 5.746 . 0 0 "[ . 1 . ]" 1
189 1 5 . H1' 5 5 . HN1 3.100 2.800 3.800 3.770 3.717 3.821 0.021 1 0 "[ . 1 . ]" 1
190 1 4 . H1' 5 4 . HN1 3.500 3.200 4.200 4.142 3.977 4.213 0.013 13 0 "[ . 1 . ]" 1
191 1 4 . H2'' 5 4 . HN1 5.500 4.500 6.500 5.949 5.801 6.059 . 0 0 "[ . 1 . ]" 1
192 1 3 . H1' 5 3 . HN1 3.100 2.800 3.800 3.996 3.971 4.016 0.216 7 0 "[ . 1 . ]" 1
193 1 3 . H2'' 5 3 . HN1 5.500 4.500 6.500 5.946 5.910 5.996 . 0 0 "[ . 1 . ]" 1
194 1 5 . H2'' 5 5 . HN1 5.500 4.500 6.500 6.002 5.965 6.056 . 0 0 "[ . 1 . ]" 1
195 1 5 . H4' 5 5 . HN1 5.000 4.000 6.000 5.291 5.186 5.430 . 0 0 "[ . 1 . ]" 1
196 1 5 . HN1 1 6 DT Q5' 3.700 3.000 4.700 8.056 7.893 8.149 3.449 10 16 [**-******+******] 1
197 1 5 . HN61 1 6 DT Q5' 3.700 3.000 4.700 7.763 7.694 7.864 3.164 14 16 [*******-*****+**] 1
198 1 1 DT Q5' 1 2 . HN1 3.600 2.900 4.600 4.140 4.122 4.154 . 0 0 "[ . 1 . ]" 1
199 1 1 DT H5'' 1 2 . HN1 3.400 2.700 4.100 4.228 4.208 4.242 0.142 15 0 "[ . 1 . ]" 1
200 1 2 . H1' 5 2 . HN1 3.200 2.900 3.900 4.040 4.029 4.059 0.159 4 0 "[ . 1 . ]" 1
201 1 3 . H1' 5 2 . HN1 5.500 4.500 6.500 5.286 5.115 5.458 . 0 0 "[ . 1 . ]" 1
202 1 2 . H2'' 5 2 . HN1 5.500 4.500 6.500 6.150 6.125 6.166 . 0 0 "[ . 1 . ]" 1
203 1 2 . H1' 5 2 . HN61 2.400 . 3.100 2.310 2.276 2.336 . 0 0 "[ . 1 . ]" 1
204 1 3 . H1' 5 3 . HN61 2.400 . 3.100 2.341 2.240 2.444 . 0 0 "[ . 1 . ]" 1
205 1 4 . H1' 5 4 . HN61 2.500 . 3.200 2.122 2.054 2.210 . 0 0 "[ . 1 . ]" 1
206 1 5 . H1' 5 5 . HN61 2.300 . 3.000 2.939 2.843 3.001 0.001 8 0 "[ . 1 . ]" 1
207 1 1 DT Q5' 1 2 . HN61 3.800 3.100 4.800 2.116 1.957 2.277 1.143 9 16 [********+******-] 1
208 1 1 DT Q5' 1 2 . HN62 5.600 4.900 6.600 2.975 2.887 3.051 2.013 9 16 [********+******-] 1
209 1 2 . H2'' 5 2 . HN61 3.300 2.600 4.000 3.632 3.595 3.675 . 0 0 "[ . 1 . ]" 1
210 1 3 . H2'' 5 3 . HN61 3.700 3.000 4.400 3.433 3.358 3.487 . 0 0 "[ . 1 . ]" 1
211 1 4 . H2'' 5 4 . HN61 3.200 2.500 3.900 3.736 3.675 3.875 . 0 0 "[ . 1 . ]" 1
212 1 5 . H2'' 5 5 . HN61 3.600 2.900 4.300 4.894 4.819 5.005 0.705 7 16 [-*****+*********] 1
213 1 2 . H2' 5 2 . HN61 5.500 5.000 6.500 4.983 4.949 5.016 0.051 13 0 "[ . 1 . ]" 1
214 1 3 . H2' 5 3 . HN61 5.500 5.000 6.500 4.912 4.836 4.976 0.164 6 0 "[ . 1 . ]" 1
215 1 4 . H2'' 5 4 . HN62 4.400 3.700 5.100 3.864 3.754 3.919 . 0 0 "[ . 1 . ]" 1
216 1 5 . H5'' 5 4 . HN62 4.300 3.600 5.000 4.631 4.417 4.809 . 0 0 "[ . 1 . ]" 1
217 1 1 DT Q5' 2 1 DT H1' 5.200 4.500 5.900 7.087 6.982 7.203 1.303 3 16 [**+************-] 1
218 2 1 DT H3' 2 1 DT Q5' 6.100 5.400 6.800 2.093 2.083 2.099 3.317 5 16 [****+**********-] 1
219 2 1 DT Q5' 2 1 DT H6 3.100 2.400 3.800 2.427 2.413 2.444 . 0 0 "[ . 1 . ]" 1
220 1 1 DT Q5' 2 2 . H4' 4.700 4.000 5.700 2.893 2.787 3.089 1.213 6 16 [*****+*******-**] 1
221 2 1 DT H1' 2 1 DT H6 3.100 2.400 3.800 3.703 3.690 3.721 . 0 0 "[ . 1 . ]" 1
222 2 1 DT H1' 2 1 DT H2' 3.100 2.400 3.800 2.972 2.969 2.975 . 0 0 "[ . 1 . ]" 1
223 2 1 DT H2' 2 1 DT H2'' 2.000 . 2.300 1.822 1.820 1.825 . 0 0 "[ . 1 . ]" 1
224 2 1 DT H2' 2 1 DT H3' 2.600 . 3.300 2.326 2.320 2.332 . 0 0 "[ . 1 . ]" 1
225 2 1 DT H2' 2 1 DT H5' 4.700 4.000 5.400 4.271 4.259 4.281 . 0 0 "[ . 1 . ]" 1
226 2 1 DT H2' 2 1 DT H5'' 3.600 2.900 4.300 2.826 2.812 2.837 0.088 9 0 "[ . 1 . ]" 1
227 2 1 DT H2' 2 1 DT H6 2.600 . 3.300 2.425 2.302 2.495 . 0 0 "[ . 1 . ]" 1
228 2 1 DT H2' 2 2 . H5'' 4.000 3.300 4.700 4.345 4.171 4.546 . 0 0 "[ . 1 . ]" 1
229 2 1 DT H2' 2 2 . H8 4.000 3.300 4.700 4.500 4.438 4.645 . 0 0 "[ . 1 . ]" 1
230 2 1 DT H1' 2 1 DT H2'' 2.600 . 3.300 2.267 2.266 2.270 . 0 0 "[ . 1 . ]" 1
231 2 1 DT H2'' 2 1 DT H3' 2.900 2.200 3.600 2.775 2.774 2.779 . 0 0 "[ . 1 . ]" 1
232 2 1 DT H2'' 2 1 DT H5' 4.700 4.000 5.400 5.125 5.103 5.154 . 0 0 "[ . 1 . ]" 1
233 2 1 DT H2'' 2 1 DT H5'' 4.100 3.400 4.800 4.121 4.110 4.127 . 0 0 "[ . 1 . ]" 1
234 2 1 DT H2'' 2 1 DT H6 3.200 2.500 3.900 3.938 3.862 3.979 0.079 16 0 "[ . 1 . ]" 1
235 2 1 DT H2'' 2 2 . H4' 4.100 3.400 4.800 4.356 4.241 4.479 . 0 0 "[ . 1 . ]" 1
236 2 1 DT H2'' 2 2 . H5'' 2.900 2.200 3.600 2.707 2.518 2.935 . 0 0 "[ . 1 . ]" 1
237 2 1 DT H2'' 2 2 . H5' 4.300 3.600 5.000 4.247 4.109 4.409 . 0 0 "[ . 1 . ]" 1
238 2 1 DT H2'' 2 2 . H8 4.200 3.500 4.900 4.403 4.354 4.508 . 0 0 "[ . 1 . ]" 1
239 2 1 DT H1' 2 1 DT H3' 4.100 3.400 4.800 3.977 3.972 3.985 . 0 0 "[ . 1 . ]" 1
240 2 1 DT H3' 2 1 DT H6 3.600 2.900 4.300 3.680 3.617 3.717 . 0 0 "[ . 1 . ]" 1
241 2 1 DT H3' 2 2 . H8 3.600 2.900 4.300 3.055 2.960 3.213 . 0 0 "[ . 1 . ]" 1
242 1 2 . H8 2 3 . H4' 3.600 2.900 4.300 3.182 3.042 3.305 . 0 0 "[ . 1 . ]" 1
243 2 1 DT H1' 2 1 DT H4' 3.600 2.900 4.300 3.545 3.530 3.578 . 0 0 "[ . 1 . ]" 1
244 2 1 DT H4' 2 1 DT H6 4.700 4.000 5.400 4.104 4.076 4.146 . 0 0 "[ . 1 . ]" 1
245 2 1 DT H1' 2 1 DT H5' 4.300 3.600 5.000 5.083 5.074 5.088 0.088 16 0 "[ . 1 . ]" 1
246 2 1 DT H1' 2 2 . H5'' 4.100 3.400 4.800 4.296 4.116 4.532 . 0 0 "[ . 1 . ]" 1
247 2 1 DT H3' 2 1 DT H5' 3.000 2.300 3.700 2.979 2.925 3.060 . 0 0 "[ . 1 . ]" 1
248 2 1 DT H5' 2 1 DT H6 4.500 3.800 5.200 3.716 3.698 3.733 0.102 11 0 "[ . 1 . ]" 1
249 2 1 DT H1' 2 1 DT H5'' 4.300 3.600 5.000 4.531 4.512 4.556 . 0 0 "[ . 1 . ]" 1
250 2 1 DT H3' 2 1 DT H5'' 2.700 . 3.400 2.139 2.120 2.151 . 0 0 "[ . 1 . ]" 1
251 2 1 DT H5'' 2 1 DT H6 3.200 2.500 3.900 2.460 2.444 2.479 0.056 16 0 "[ . 1 . ]" 1
252 2 1 DT H5'' 2 2 . H8 5.200 4.500 5.900 4.836 4.741 4.991 . 0 0 "[ . 1 . ]" 1
253 2 2 . H1' 2 2 . H3' 4.300 3.600 5.000 4.054 4.044 4.065 . 0 0 "[ . 1 . ]" 1
254 2 2 . H1' 2 2 . H8 3.900 3.200 4.600 3.836 3.828 3.844 . 0 0 "[ . 1 . ]" 1
255 2 2 . H1' 2 3 . H8 3.900 3.200 4.600 4.088 4.006 4.228 . 0 0 "[ . 1 . ]" 1
256 2 2 . H1' 2 2 . H2' 3.000 2.300 3.700 2.944 2.930 2.955 . 0 0 "[ . 1 . ]" 1
257 2 2 . H2' 2 2 . H3' 2.500 . 3.200 2.281 2.275 2.285 . 0 0 "[ . 1 . ]" 1
258 2 2 . H2' 2 2 . H4' 4.500 3.800 5.200 3.992 3.974 4.013 . 0 0 "[ . 1 . ]" 1
259 2 2 . H2' 2 2 . H5'' 4.300 3.600 5.000 4.388 4.333 4.459 . 0 0 "[ . 1 . ]" 1
260 2 2 . H2' 2 2 . H5' 4.000 3.300 4.700 3.648 3.545 3.784 . 0 0 "[ . 1 . ]" 1
261 2 2 . H2' 2 2 . H8 2.500 . 3.200 2.047 2.039 2.055 . 0 0 "[ . 1 . ]" 1
262 2 2 . H2' 2 3 . H8 4.000 3.300 4.700 3.942 3.738 4.254 . 0 0 "[ . 1 . ]" 1
263 2 2 . H1' 2 2 . H2'' 2.700 . 3.400 2.257 2.254 2.260 . 0 0 "[ . 1 . ]" 1
264 2 2 . H2' 2 2 . H2'' 2.000 . 2.300 1.822 1.820 1.823 . 0 0 "[ . 1 . ]" 1
265 2 2 . H2'' 2 2 . H3' 2.800 2.100 3.500 2.821 2.806 2.838 . 0 0 "[ . 1 . ]" 1
266 2 2 . H2'' 2 2 . H4' 4.300 3.600 5.000 3.923 3.890 3.950 . 0 0 "[ . 1 . ]" 1
267 2 2 . H2'' 2 2 . H8 3.000 2.300 3.700 3.713 3.698 3.728 0.028 4 0 "[ . 1 . ]" 1
268 2 2 . H2'' 2 3 . H8 3.000 2.300 3.700 2.587 2.477 2.807 . 0 0 "[ . 1 . ]" 1
269 2 2 . H3' 2 2 . H8 4.100 3.400 4.800 3.611 3.517 3.688 . 0 0 "[ . 1 . ]" 1
270 2 2 . H3' 2 3 . H8 4.700 4.000 5.400 5.068 4.958 5.276 . 0 0 "[ . 1 . ]" 1
271 2 2 . H1' 2 2 . H4' 3.800 3.100 4.500 3.717 3.706 3.729 . 0 0 "[ . 1 . ]" 1
272 2 2 . H3' 2 2 . H4' 2.900 2.200 3.600 2.751 2.740 2.765 . 0 0 "[ . 1 . ]" 1
273 2 2 . H4' 2 2 . H8 5.000 4.300 5.700 4.841 4.811 4.873 . 0 0 "[ . 1 . ]" 1
274 2 2 . H4' 2 3 . H5'' 3.400 3.200 4.100 3.844 3.751 3.960 . 0 0 "[ . 1 . ]" 1
275 2 2 . H4' 2 3 . H5' 4.500 3.800 5.200 5.187 5.074 5.231 0.031 6 0 "[ . 1 . ]" 1
276 2 2 . H3' 2 2 . H5'' 3.000 2.300 3.700 3.520 3.510 3.533 . 0 0 "[ . 1 . ]" 1
277 2 2 . H4' 2 2 . H5'' 2.700 . 3.400 2.380 2.356 2.409 . 0 0 "[ . 1 . ]" 1
278 2 2 . H5' 2 2 . H5'' 2.000 . 2.300 1.779 1.777 1.780 0.023 11 0 "[ . 1 . ]" 1
279 2 2 . H5'' 2 2 . H8 4.900 4.200 5.600 4.181 4.163 4.205 0.037 15 0 "[ . 1 . ]" 1
280 2 2 . H3' 2 2 . H5' 2.800 2.100 3.500 2.200 2.174 2.245 . 0 0 "[ . 1 . ]" 1
281 2 2 . H4' 2 2 . H5' 2.700 . 3.400 2.553 2.512 2.586 . 0 0 "[ . 1 . ]" 1
282 2 2 . H5' 2 2 . H8 4.500 3.800 5.200 3.854 3.778 3.941 0.022 8 0 "[ . 1 . ]" 1
283 2 3 . H1' 2 3 . H3' 3.800 3.100 4.500 3.970 3.956 3.980 . 0 0 "[ . 1 . ]" 1
284 2 3 . H1' 2 3 . H2' 2.900 2.200 3.600 3.012 3.004 3.020 . 0 0 "[ . 1 . ]" 1
285 2 3 . H2' 2 3 . H3' 2.600 . 3.300 2.288 2.282 2.296 . 0 0 "[ . 1 . ]" 1
286 2 3 . H2' 2 3 . H4' 4.500 3.800 5.200 3.938 3.923 3.950 . 0 0 "[ . 1 . ]" 1
287 2 3 . H2' 2 3 . H8 2.500 . 3.200 2.084 2.063 2.100 . 0 0 "[ . 1 . ]" 1
288 2 3 . H2' 2 4 . H8 4.200 3.500 4.900 3.836 3.644 4.011 . 0 0 "[ . 1 . ]" 1
289 2 3 . H1' 2 3 . H2'' 2.600 . 3.300 2.292 2.287 2.298 . 0 0 "[ . 1 . ]" 1
290 2 3 . H2' 2 3 . H2'' 1.900 . 2.200 1.828 1.826 1.829 . 0 0 "[ . 1 . ]" 1
291 2 3 . H2'' 2 3 . H3' 2.800 2.100 3.500 2.786 2.773 2.796 . 0 0 "[ . 1 . ]" 1
292 2 3 . H2'' 2 3 . H4' 4.700 4.000 5.400 3.940 3.923 3.959 0.077 10 0 "[ . 1 . ]" 1
293 2 3 . H2'' 2 3 . H8 3.100 2.400 3.800 3.654 3.629 3.685 . 0 0 "[ . 1 . ]" 1
294 2 3 . H2'' 2 4 . H8 3.100 2.400 3.800 2.531 2.377 2.688 0.023 11 0 "[ . 1 . ]" 1
295 2 3 . H3' 2 3 . H8 4.000 3.300 4.700 3.949 3.897 4.005 . 0 0 "[ . 1 . ]" 1
296 2 3 . H1' 2 3 . H4' 3.600 2.900 4.300 3.468 3.445 3.494 . 0 0 "[ . 1 . ]" 1
297 2 3 . H3' 2 3 . H4' 2.900 2.200 3.600 2.781 2.768 2.794 . 0 0 "[ . 1 . ]" 1
298 2 3 . H4' 2 3 . H8 5.100 4.400 5.800 5.016 4.991 5.041 . 0 0 "[ . 1 . ]" 1
299 2 3 . H4' 2 4 . H5'' 5.200 4.500 5.400 4.798 4.658 4.911 . 0 0 "[ . 1 . ]" 1
300 2 3 . H3' 2 3 . H5'' 3.000 2.300 3.700 3.547 3.543 3.551 . 0 0 "[ . 1 . ]" 1
301 2 3 . H4' 2 3 . H5'' 2.800 2.100 3.500 2.452 2.434 2.464 . 0 0 "[ . 1 . ]" 1
302 2 3 . H5'' 2 3 . H8 5.100 4.400 5.800 4.392 4.367 4.439 0.033 13 0 "[ . 1 . ]" 1
303 1 2 . H8 2 3 . H5'' 4.900 4.200 5.600 5.249 5.107 5.410 . 0 0 "[ . 1 . ]" 1
304 2 3 . H3' 2 3 . H5' 2.900 2.200 3.600 2.356 2.310 2.389 . 0 0 "[ . 1 . ]" 1
305 2 3 . H4' 2 3 . H5' 2.700 . 3.400 2.453 2.440 2.476 . 0 0 "[ . 1 . ]" 1
306 2 3 . H5' 2 3 . H5'' 1.900 . 2.200 1.776 1.774 1.778 0.026 16 0 "[ . 1 . ]" 1
307 2 3 . H5' 2 3 . H8 4.300 4.200 4.600 4.605 4.518 4.623 0.023 13 0 "[ . 1 . ]" 1
308 1 2 . H8 2 3 . H5' 5.300 5.200 5.600 5.427 5.267 5.582 . 0 0 "[ . 1 . ]" 1
309 2 4 . H1' 2 4 . H3' 4.500 3.800 5.200 3.944 3.923 3.964 . 0 0 "[ . 1 . ]" 1
310 2 4 . H1' 2 4 . H8 4.700 4.000 5.400 3.893 3.890 3.901 0.110 15 0 "[ . 1 . ]" 1
311 2 4 . H1' 2 5 . H8 4.700 4.000 5.400 4.518 4.188 5.007 . 0 0 "[ . 1 . ]" 1
312 1 3 . H8 2 4 . H1' 5.400 4.700 6.100 5.747 5.506 6.040 . 0 0 "[ . 1 . ]" 1
313 2 4 . H1' 2 4 . H2' 3.400 2.700 4.100 2.986 2.974 2.998 . 0 0 "[ . 1 . ]" 1
314 2 4 . H2' 2 4 . H2'' 1.900 . 2.200 1.823 1.821 1.825 . 0 0 "[ . 1 . ]" 1
315 2 4 . H2' 2 4 . H3' 2.700 . 3.400 2.286 2.280 2.295 . 0 0 "[ . 1 . ]" 1
316 2 4 . H2' 2 4 . H4' 4.500 3.800 5.200 3.954 3.938 3.965 . 0 0 "[ . 1 . ]" 1
317 2 4 . H2' 2 4 . H8 2.600 . 3.300 2.208 2.172 2.298 . 0 0 "[ . 1 . ]" 1
318 2 4 . H2' 2 5 . H5'' 4.700 4.000 5.400 4.759 4.514 4.924 . 0 0 "[ . 1 . ]" 1
319 2 4 . H2' 2 5 . H8 3.500 2.800 4.200 3.076 2.793 3.397 0.007 10 0 "[ . 1 . ]" 1
320 2 4 . H1' 2 4 . H2'' 2.600 . 3.300 2.276 2.269 2.288 . 0 0 "[ . 1 . ]" 1
321 2 4 . H2'' 2 4 . H3' 2.800 2.100 3.500 2.823 2.801 2.834 . 0 0 "[ . 1 . ]" 1
322 2 4 . H2'' 2 4 . H4' 4.200 3.500 4.900 3.783 3.740 3.849 . 0 0 "[ . 1 . ]" 1
323 2 4 . H2'' 2 4 . H8 3.200 2.500 3.900 3.813 3.766 3.884 . 0 0 "[ . 1 . ]" 1
324 2 4 . H2'' 2 5 . H5'' 3.200 2.500 3.900 3.066 2.749 3.271 . 0 0 "[ . 1 . ]" 1
325 2 4 . H2'' 2 5 . H8 3.200 2.500 3.900 2.804 2.491 3.302 0.009 9 0 "[ . 1 . ]" 1
326 2 4 . H3' 2 4 . H8 3.900 3.200 4.600 3.837 3.753 3.938 . 0 0 "[ . 1 . ]" 1
327 2 4 . H1' 2 4 . H4' 3.400 2.700 4.100 3.233 3.136 3.307 . 0 0 "[ . 1 . ]" 1
328 2 4 . H4' 2 4 . H5'' 2.400 . 3.100 2.375 2.348 2.444 . 0 0 "[ . 1 . ]" 1
329 2 4 . H4' 2 4 . H5' 2.300 . 3.000 2.536 2.462 2.570 . 0 0 "[ . 1 . ]" 1
330 1 3 . H8 2 4 . H4' 4.100 3.400 4.800 3.873 3.689 4.118 . 0 0 "[ . 1 . ]" 1
331 2 3 . H1' 2 3 . H8 4.100 3.400 4.800 3.865 3.857 3.872 . 0 0 "[ . 1 . ]" 1
332 2 4 . H3' 2 4 . H5'' 3.800 3.100 4.500 3.524 3.510 3.547 . 0 0 "[ . 1 . ]" 1
333 2 4 . H5'' 2 4 . H8 4.800 4.100 5.500 4.681 4.528 4.914 . 0 0 "[ . 1 . ]" 1
334 1 2 . H8 2 4 . H5'' 4.900 4.200 5.600 4.232 4.176 4.397 0.024 8 0 "[ . 1 . ]" 1
335 1 3 . H8 2 4 . H5'' 5.300 4.600 6.000 4.714 4.586 5.011 0.014 11 0 "[ . 1 . ]" 1
336 2 4 . H3' 2 4 . H5' 2.700 . 3.400 2.260 2.190 2.404 . 0 0 "[ . 1 . ]" 1
337 2 4 . H5' 2 4 . H5'' 1.900 . 2.200 1.777 1.776 1.779 0.024 3 0 "[ . 1 . ]" 1
338 2 5 . H1' 2 5 . H8 4.000 3.300 4.700 3.827 3.808 3.840 . 0 0 "[ . 1 . ]" 1
339 2 5 . H1' 2 6 DT H6 4.500 3.800 5.200 3.909 3.837 3.982 . 0 0 "[ . 1 . ]" 1
340 2 5 . H1' 2 5 . H2' 2.900 2.200 3.600 3.021 3.015 3.027 . 0 0 "[ . 1 . ]" 1
341 2 5 . H2' 2 5 . H3' 2.500 . 3.200 2.259 2.247 2.270 . 0 0 "[ . 1 . ]" 1
342 2 5 . H2' 2 5 . H4' 3.700 3.000 4.400 3.888 3.877 3.899 . 0 0 "[ . 1 . ]" 1
343 2 5 . H2' 2 5 . H8 2.300 . 3.000 2.035 1.991 2.071 . 0 0 "[ . 1 . ]" 1
344 2 5 . H2' 2 6 DT H6 4.900 4.200 5.600 4.164 4.106 4.235 0.094 2 0 "[ . 1 . ]" 1
345 2 5 . H1' 2 5 . H2'' 2.400 . 3.100 2.306 2.298 2.314 . 0 0 "[ . 1 . ]" 1
346 2 5 . H2' 2 5 . H2'' 1.900 . 2.200 1.813 1.809 1.817 . 0 0 "[ . 1 . ]" 1
347 2 5 . H2'' 2 5 . H3' 2.600 . 3.300 2.823 2.815 2.831 . 0 0 "[ . 1 . ]" 1
348 2 5 . H2'' 2 5 . H4' 4.000 3.300 4.700 3.682 3.672 3.699 . 0 0 "[ . 1 . ]" 1
349 2 5 . H2'' 2 5 . H8 2.800 2.100 3.500 3.442 3.317 3.538 0.038 9 0 "[ . 1 . ]" 1
350 2 5 . H2'' 2 6 DT H6 3.600 2.900 4.300 3.133 3.084 3.190 . 0 0 "[ . 1 . ]" 1
351 2 5 . H1' 2 5 . H3' 3.600 2.900 4.300 3.826 3.809 3.843 . 0 0 "[ . 1 . ]" 1
352 2 5 . H3' 2 5 . H8 3.300 2.600 4.000 4.033 3.986 4.075 0.075 5 0 "[ . 1 . ]" 1
353 2 5 . H3' 2 6 DT H6 6.100 5.400 6.800 5.896 5.841 5.962 . 0 0 "[ . 1 . ]" 1
354 2 5 . H1' 2 5 . H4' 3.300 2.600 4.000 2.811 2.773 2.867 . 0 0 "[ . 1 . ]" 1
355 2 5 . H3' 2 5 . H4' 2.800 2.100 3.500 2.915 2.908 2.920 . 0 0 "[ . 1 . ]" 1
356 2 5 . H4' 2 5 . H5'' 2.400 . 3.100 2.609 2.607 2.611 . 0 0 "[ . 1 . ]" 1
357 2 5 . H4' 2 5 . H8 5.200 4.500 5.900 5.179 5.111 5.246 . 0 0 "[ . 1 . ]" 1
358 2 3 . H1' 2 4 . H8 4.000 3.300 4.700 4.262 4.035 4.500 . 0 0 "[ . 1 . ]" 1
359 2 4 . H1' 2 5 . H5'' 4.300 3.600 5.000 3.939 3.673 4.142 . 0 0 "[ . 1 . ]" 1
360 2 5 . H1' 2 5 . H5'' 4.700 4.000 5.400 4.443 4.430 4.460 . 0 0 "[ . 1 . ]" 1
361 2 5 . H3' 2 5 . H5'' 2.600 . 3.300 3.455 3.450 3.459 0.159 14 0 "[ . 1 . ]" 1
362 2 5 . H5'' 2 5 . H8 4.500 3.800 5.200 4.990 4.791 5.181 . 0 0 "[ . 1 . ]" 1
363 2 5 . H8 2 6 DT Q5' 5.500 4.800 6.200 5.366 5.116 5.555 . 0 0 "[ . 1 . ]" 1
364 2 6 DT H1' 2 6 DT Q5' 5.500 5.000 6.500 4.132 4.123 4.141 0.877 3 16 [**+**********-**] 1
365 2 6 DT H3' 2 6 DT Q5' 6.000 5.300 6.700 2.089 2.084 2.093 3.216 14 16 [****-********+**] 1
366 2 6 DT Q5' 2 6 DT H6 3.000 2.300 3.700 2.944 2.898 2.996 . 0 0 "[ . 1 . ]" 1
367 2 5 . H8 2 6 DT H1' 4.900 4.200 5.600 5.774 5.758 5.794 0.194 12 0 "[ . 1 . ]" 1
368 2 6 DT H1' 2 6 DT H6 3.300 2.600 4.000 3.572 3.548 3.605 . 0 0 "[ . 1 . ]" 1
369 2 6 DT H1' 2 6 DT H2' 2.400 . 3.100 3.005 2.999 3.011 . 0 0 "[ . 1 . ]" 1
370 2 6 DT H2' 2 6 DT H3' 2.400 . 3.100 2.257 2.253 2.262 . 0 0 "[ . 1 . ]" 1
371 2 6 DT H2' 2 6 DT H5'' 4.100 3.400 4.800 3.686 3.641 3.730 . 0 0 "[ . 1 . ]" 1
372 2 6 DT H2' 2 6 DT H5' 3.200 2.500 3.900 4.053 4.042 4.061 0.161 5 0 "[ . 1 . ]" 1
373 2 6 DT H2' 2 6 DT H6 2.600 . 3.300 3.224 3.109 3.316 0.016 14 0 "[ . 1 . ]" 1
374 2 6 DT H1' 2 6 DT H3' 4.700 4.000 5.400 3.914 3.899 3.929 0.101 5 0 "[ . 1 . ]" 1
375 2 6 DT H3' 2 6 DT H5'' 3.200 2.500 3.800 2.765 2.730 2.796 . 0 0 "[ . 1 . ]" 1
376 2 6 DT H3' 2 6 DT H6 3.400 2.700 4.100 4.208 4.178 4.230 0.130 14 0 "[ . 1 . ]" 1
377 2 5 . H8 2 6 DT H4' 5.100 4.400 5.800 5.888 5.860 5.912 0.112 6 0 "[ . 1 . ]" 1
378 2 6 DT H1' 2 6 DT H4' 3.200 2.500 3.900 2.950 2.910 2.992 . 0 0 "[ . 1 . ]" 1
379 2 6 DT H2' 2 6 DT H4' 3.200 2.500 3.900 3.910 3.901 3.917 0.017 13 0 "[ . 1 . ]" 1
380 2 5 . H1' 2 6 DT H5'' 5.500 4.800 6.200 4.719 4.699 4.736 0.101 12 0 "[ . 1 . ]" 1
381 2 5 . H8 2 6 DT H5'' 6.000 5.300 6.700 5.589 5.303 5.804 . 0 0 "[ . 1 . ]" 1
382 2 6 DT H1' 2 6 DT H5'' 5.300 4.600 6.000 4.462 4.456 4.466 0.144 3 0 "[ . 1 . ]" 1
383 2 6 DT H5'' 2 6 DT H6 3.600 2.900 4.300 2.983 2.935 3.037 . 0 0 "[ . 1 . ]" 1
384 2 5 . H1' 2 6 DT H5' 5.500 4.800 6.200 5.407 5.344 5.465 . 0 0 "[ . 1 . ]" 1
385 2 5 . H3' 2 6 DT H5' 4.900 4.200 5.600 5.236 5.222 5.262 . 0 0 "[ . 1 . ]" 1
386 2 5 . H4' 2 6 DT H5' 6.000 5.300 6.700 6.155 6.080 6.220 . 0 0 "[ . 1 . ]" 1
387 2 6 DT H3' 2 6 DT H5' 2.600 . 3.300 2.162 2.151 2.173 . 0 0 "[ . 1 . ]" 1
388 2 6 DT H5' 2 6 DT H5'' 1.900 . 2.200 1.774 1.772 1.774 0.028 5 0 "[ . 1 . ]" 1
389 2 6 DT H5' 2 6 DT H6 4.000 3.300 4.700 4.522 4.479 4.567 . 0 0 "[ . 1 . ]" 1
390 1 1 DT H5'' 2 2 . H4' 4.600 3.900 5.300 3.911 3.860 4.055 0.040 6 0 "[ . 1 . ]" 1
391 2 4 . HN1 2 5 . HN62 5.500 4.500 6.500 4.447 4.167 4.789 0.333 11 0 "[ . 1 . ]" 1
392 2 4 . HN1 2 5 . HN61 4.500 4.200 5.200 4.865 4.556 5.216 0.016 6 0 "[ . 1 . ]" 1
393 2 3 . HN62 2 4 . HN1 5.500 4.500 6.500 5.244 5.223 5.267 . 0 0 "[ . 1 . ]" 1
394 2 3 . HN61 2 4 . HN1 4.500 4.200 5.200 5.739 5.650 5.850 0.650 6 10 "[** .+* **** *-]" 1
395 2 3 . HN1 2 4 . HN62 5.500 4.500 6.500 4.686 4.517 4.958 . 0 0 "[ . 1 . ]" 1
396 2 3 . HN1 2 4 . HN61 4.500 4.200 5.200 5.536 5.290 5.816 0.616 3 2 "[ + - 1 . ]" 1
397 2 2 . HN62 2 3 . HN1 5.500 4.500 6.500 5.250 5.229 5.275 . 0 0 "[ . 1 . ]" 1
398 2 2 . HN61 2 3 . HN1 4.500 4.200 5.200 5.609 5.544 5.689 0.489 6 0 "[ . 1 . ]" 1
399 2 4 . HN62 2 5 . HN1 5.500 4.500 6.500 5.251 5.229 5.284 . 0 0 "[ . 1 . ]" 1
400 2 4 . HN61 2 5 . HN1 4.500 4.200 5.200 6.006 5.888 6.123 0.923 4 16 [***+*******-****] 1
401 2 2 . HN1 2 3 . HN62 5.500 4.500 6.500 5.124 4.926 5.213 . 0 0 "[ . 1 . ]" 1
402 2 2 . HN1 2 3 . HN61 4.900 4.600 5.600 6.188 5.957 6.301 0.701 8 14 "[-**** +********]" 1
403 2 5 . HN1 2 6 DT H6 5.500 4.500 6.500 5.528 5.386 5.661 . 0 0 "[ . 1 . ]" 1
404 1 5 . HN1 2 5 . H1' 3.100 2.800 3.800 3.797 3.767 3.824 0.024 6 0 "[ . 1 . ]" 1
405 1 4 . HN1 2 4 . H1' 3.500 3.200 4.200 4.069 3.960 4.207 0.007 5 0 "[ . 1 . ]" 1
406 1 4 . HN1 2 4 . H2'' 5.500 4.500 6.500 5.912 5.710 6.096 . 0 0 "[ . 1 . ]" 1
407 1 3 . HN1 2 3 . H1' 3.100 2.800 3.800 4.003 3.983 4.018 0.218 15 0 "[ . 1 . ]" 1
408 1 3 . HN1 2 3 . H2'' 5.500 4.500 6.500 5.940 5.902 5.981 . 0 0 "[ . 1 . ]" 1
409 1 5 . HN1 2 5 . H2'' 5.500 4.500 6.500 5.979 5.934 6.041 . 0 0 "[ . 1 . ]" 1
410 1 5 . HN1 2 5 . H4' 5.000 4.000 6.000 5.472 5.303 5.643 . 0 0 "[ . 1 . ]" 1
411 2 5 . HN1 2 6 DT Q5' 3.700 3.000 4.700 7.912 7.742 8.077 3.377 5 16 [****+********-**] 1
412 2 5 . HN61 2 6 DT Q5' 3.700 3.000 4.700 7.798 7.715 7.876 3.176 10 16 [*******-*+******] 1
413 2 1 DT Q5' 2 2 . HN1 3.600 2.900 4.600 4.140 4.126 4.148 . 0 0 "[ . 1 . ]" 1
414 2 1 DT H5'' 2 2 . HN1 3.400 2.700 4.100 4.228 4.213 4.237 0.137 7 0 "[ . 1 . ]" 1
415 1 2 . HN1 2 2 . H1' 3.200 2.900 3.900 4.040 4.026 4.053 0.153 12 0 "[ . 1 . ]" 1
416 1 2 . HN1 2 3 . H1' 5.500 4.500 6.500 5.313 5.128 5.515 . 0 0 "[ . 1 . ]" 1
417 1 2 . HN1 2 2 . H2'' 5.500 4.500 6.500 6.152 6.125 6.175 . 0 0 "[ . 1 . ]" 1
418 1 2 . HN61 2 2 . H1' 2.400 . 3.100 2.304 2.270 2.334 . 0 0 "[ . 1 . ]" 1
419 1 3 . HN61 2 3 . H1' 2.400 . 3.100 2.323 2.233 2.399 . 0 0 "[ . 1 . ]" 1
420 1 4 . HN61 2 4 . H1' 2.500 . 3.200 2.185 2.062 2.320 . 0 0 "[ . 1 . ]" 1
421 1 5 . HN61 2 5 . H1' 2.300 . 3.000 2.911 2.833 3.012 0.012 8 0 "[ . 1 . ]" 1
422 2 1 DT Q5' 2 2 . HN61 3.800 3.100 4.800 2.139 1.989 2.299 1.111 3 16 [**+********-****] 1
423 2 1 DT Q5' 2 2 . HN62 5.600 4.900 6.600 2.988 2.933 3.052 1.967 3 16 [**+********-****] 1
424 1 2 . HN61 2 2 . H2'' 3.300 2.600 4.000 3.626 3.568 3.656 . 0 0 "[ . 1 . ]" 1
425 1 3 . HN61 2 3 . H2'' 3.700 3.000 4.400 3.426 3.355 3.516 . 0 0 "[ . 1 . ]" 1
426 1 4 . HN61 2 4 . H2'' 3.200 2.500 3.900 3.770 3.687 3.877 . 0 0 "[ . 1 . ]" 1
427 1 5 . HN61 2 5 . H2'' 3.600 2.900 4.300 4.936 4.832 5.009 0.709 8 16 [***-***+********] 1
428 1 2 . HN61 2 2 . H2' 5.500 5.000 6.500 4.978 4.936 5.011 0.064 16 0 "[ . 1 . ]" 1
429 1 3 . HN61 2 3 . H2' 5.500 5.000 6.500 4.902 4.827 4.990 0.173 8 0 "[ . 1 . ]" 1
430 1 4 . HN62 2 4 . H2'' 4.400 3.700 5.100 3.817 3.709 3.905 . 0 0 "[ . 1 . ]" 1
431 1 4 . HN62 2 5 . H5'' 4.300 3.600 5.000 4.669 4.506 4.889 . 0 0 "[ . 1 . ]" 1
432 2 1 DT Q5' 3 1 DT H1' 5.200 4.500 5.900 7.097 7.000 7.182 1.282 3 16 [**+***********-*] 1
433 3 1 DT H3' 3 1 DT Q5' 6.100 5.400 6.800 2.098 2.090 2.103 3.310 7 16 [******+*-*******] 1
434 3 1 DT Q5' 3 1 DT H6 3.100 2.400 3.800 2.421 2.405 2.434 . 0 0 "[ . 1 . ]" 1
435 2 1 DT Q5' 3 2 . H4' 4.700 4.000 5.700 2.890 2.760 3.022 1.240 5 16 [****+**********-] 1
436 3 1 DT H1' 3 1 DT H6 3.100 2.400 3.800 3.699 3.685 3.717 . 0 0 "[ . 1 . ]" 1
437 3 1 DT H1' 3 1 DT H2' 3.100 2.400 3.800 2.973 2.970 2.976 . 0 0 "[ . 1 . ]" 1
438 3 1 DT H2' 3 1 DT H2'' 2.000 . 2.300 1.822 1.820 1.825 . 0 0 "[ . 1 . ]" 1
439 3 1 DT H2' 3 1 DT H3' 2.600 . 3.300 2.325 2.321 2.333 . 0 0 "[ . 1 . ]" 1
440 3 1 DT H2' 3 1 DT H5' 4.700 4.000 5.400 4.266 4.253 4.276 . 0 0 "[ . 1 . ]" 1
441 3 1 DT H2' 3 1 DT H5'' 3.600 2.900 4.300 2.822 2.810 2.833 0.090 9 0 "[ . 1 . ]" 1
442 3 1 DT H2' 3 1 DT H6 2.600 . 3.300 2.452 2.354 2.517 . 0 0 "[ . 1 . ]" 1
443 3 1 DT H2' 3 2 . H5'' 4.000 3.300 4.700 4.421 4.157 4.568 . 0 0 "[ . 1 . ]" 1
444 3 1 DT H2' 3 2 . H8 4.000 3.300 4.700 4.410 4.303 4.511 . 0 0 "[ . 1 . ]" 1
445 3 1 DT H1' 3 1 DT H2'' 2.600 . 3.300 2.268 2.265 2.270 . 0 0 "[ . 1 . ]" 1
446 3 1 DT H2'' 3 1 DT H3' 2.900 2.200 3.600 2.775 2.771 2.777 . 0 0 "[ . 1 . ]" 1
447 3 1 DT H2'' 3 1 DT H5' 4.700 4.000 5.400 5.116 5.092 5.139 . 0 0 "[ . 1 . ]" 1
448 3 1 DT H2'' 3 1 DT H5'' 4.100 3.400 4.800 4.119 4.112 4.125 . 0 0 "[ . 1 . ]" 1
449 3 1 DT H2'' 3 1 DT H6 3.200 2.500 3.900 3.955 3.897 3.994 0.094 13 0 "[ . 1 . ]" 1
450 3 1 DT H2'' 3 2 . H4' 4.100 3.400 4.800 4.376 4.205 4.492 . 0 0 "[ . 1 . ]" 1
451 3 1 DT H2'' 3 2 . H5'' 2.900 2.200 3.600 2.787 2.506 2.940 . 0 0 "[ . 1 . ]" 1
452 3 1 DT H2'' 3 2 . H5' 4.300 3.600 5.000 4.302 4.106 4.410 . 0 0 "[ . 1 . ]" 1
453 3 1 DT H2'' 3 2 . H8 4.200 3.500 4.900 4.335 4.256 4.405 . 0 0 "[ . 1 . ]" 1
454 3 1 DT H1' 3 1 DT H3' 4.100 3.400 4.800 3.976 3.971 3.982 . 0 0 "[ . 1 . ]" 1
455 3 1 DT H3' 3 1 DT H6 3.600 2.900 4.300 3.696 3.643 3.727 . 0 0 "[ . 1 . ]" 1
456 3 1 DT H3' 3 2 . H8 3.600 2.900 4.300 2.967 2.900 3.049 0.000 11 0 "[ . 1 . ]" 1
457 2 2 . H8 3 3 . H4' 3.600 2.900 4.300 3.108 2.955 3.233 . 0 0 "[ . 1 . ]" 1
458 3 1 DT H1' 3 1 DT H4' 3.600 2.900 4.300 3.537 3.520 3.565 . 0 0 "[ . 1 . ]" 1
459 3 1 DT H4' 3 1 DT H6 4.700 4.000 5.400 4.097 4.068 4.134 . 0 0 "[ . 1 . ]" 1
460 3 1 DT H1' 3 1 DT H5' 4.300 3.600 5.000 5.086 5.081 5.090 0.090 13 0 "[ . 1 . ]" 1
461 3 1 DT H1' 3 2 . H5'' 4.100 3.400 4.800 4.366 4.105 4.505 . 0 0 "[ . 1 . ]" 1
462 3 1 DT H3' 3 1 DT H5' 3.000 2.300 3.700 2.956 2.899 3.015 . 0 0 "[ . 1 . ]" 1
463 3 1 DT H5' 3 1 DT H6 4.500 3.800 5.200 3.722 3.715 3.730 0.085 1 0 "[ . 1 . ]" 1
464 3 1 DT H1' 3 1 DT H5'' 4.300 3.600 5.000 4.522 4.505 4.540 . 0 0 "[ . 1 . ]" 1
465 3 1 DT H3' 3 1 DT H5'' 2.700 . 3.400 2.146 2.132 2.158 . 0 0 "[ . 1 . ]" 1
466 3 1 DT H5'' 3 1 DT H6 3.200 2.500 3.900 2.453 2.436 2.467 0.064 15 0 "[ . 1 . ]" 1
467 3 1 DT H5'' 3 2 . H8 5.200 4.500 5.900 4.755 4.684 4.836 . 0 0 "[ . 1 . ]" 1
468 3 2 . H1' 3 2 . H3' 4.300 3.600 5.000 4.049 4.039 4.058 . 0 0 "[ . 1 . ]" 1
469 3 2 . H1' 3 2 . H8 3.900 3.200 4.600 3.841 3.838 3.846 . 0 0 "[ . 1 . ]" 1
470 3 2 . H1' 3 3 . H8 3.900 3.200 4.600 4.112 4.033 4.313 . 0 0 "[ . 1 . ]" 1
471 3 2 . H1' 3 2 . H2' 3.000 2.300 3.700 2.951 2.937 2.962 . 0 0 "[ . 1 . ]" 1
472 3 2 . H2' 3 2 . H3' 2.500 . 3.200 2.284 2.276 2.289 . 0 0 "[ . 1 . ]" 1
473 3 2 . H2' 3 2 . H4' 4.500 3.800 5.200 3.983 3.964 4.006 . 0 0 "[ . 1 . ]" 1
474 3 2 . H2' 3 2 . H5'' 4.300 3.600 5.000 4.362 4.305 4.461 . 0 0 "[ . 1 . ]" 1
475 3 2 . H2' 3 2 . H5' 4.000 3.300 4.700 3.603 3.510 3.705 . 0 0 "[ . 1 . ]" 1
476 3 2 . H2' 3 2 . H8 2.500 . 3.200 2.053 2.042 2.064 . 0 0 "[ . 1 . ]" 1
477 3 2 . H2' 3 3 . H8 4.000 3.300 4.700 4.021 3.862 4.136 . 0 0 "[ . 1 . ]" 1
478 3 2 . H1' 3 2 . H2'' 2.700 . 3.400 2.259 2.255 2.263 . 0 0 "[ . 1 . ]" 1
479 3 2 . H2' 3 2 . H2'' 2.000 . 2.300 1.822 1.819 1.823 . 0 0 "[ . 1 . ]" 1
480 3 2 . H2'' 3 2 . H3' 2.800 2.100 3.500 2.813 2.800 2.829 . 0 0 "[ . 1 . ]" 1
481 3 2 . H2'' 3 2 . H4' 4.300 3.600 5.000 3.936 3.895 3.962 . 0 0 "[ . 1 . ]" 1
482 3 2 . H2'' 3 2 . H8 3.000 2.300 3.700 3.712 3.695 3.737 0.037 3 0 "[ . 1 . ]" 1
483 3 2 . H2'' 3 3 . H8 3.000 2.300 3.700 2.625 2.502 2.819 . 0 0 "[ . 1 . ]" 1
484 3 2 . H3' 3 2 . H8 4.100 3.400 4.800 3.656 3.526 3.734 . 0 0 "[ . 1 . ]" 1
485 3 2 . H3' 3 3 . H8 4.700 4.000 5.400 5.097 4.948 5.284 . 0 0 "[ . 1 . ]" 1
486 3 2 . H1' 3 2 . H4' 3.800 3.100 4.500 3.711 3.706 3.717 . 0 0 "[ . 1 . ]" 1
487 3 2 . H3' 3 2 . H4' 2.900 2.200 3.600 2.746 2.736 2.765 . 0 0 "[ . 1 . ]" 1
488 3 2 . H4' 3 2 . H8 5.000 4.300 5.700 4.844 4.794 4.884 . 0 0 "[ . 1 . ]" 1
489 3 2 . H4' 3 3 . H5'' 3.400 3.200 4.100 3.932 3.808 4.046 . 0 0 "[ . 1 . ]" 1
490 3 2 . H4' 3 3 . H5' 4.500 3.800 5.200 5.215 5.166 5.249 0.049 9 0 "[ . 1 . ]" 1
491 3 2 . H3' 3 2 . H5'' 3.000 2.300 3.700 3.519 3.510 3.532 . 0 0 "[ . 1 . ]" 1
492 3 2 . H4' 3 2 . H5'' 2.700 . 3.400 2.377 2.357 2.414 . 0 0 "[ . 1 . ]" 1
493 3 2 . H5' 3 2 . H5'' 2.000 . 2.300 1.779 1.777 1.782 0.023 2 0 "[ . 1 . ]" 1
494 3 2 . H5'' 3 2 . H8 4.900 4.200 5.600 4.175 4.153 4.192 0.047 8 0 "[ . 1 . ]" 1
495 3 2 . H3' 3 2 . H5' 2.800 2.100 3.500 2.192 2.170 2.242 . 0 0 "[ . 1 . ]" 1
496 3 2 . H4' 3 2 . H5' 2.700 . 3.400 2.561 2.516 2.591 . 0 0 "[ . 1 . ]" 1
497 3 2 . H5' 3 2 . H8 4.500 3.800 5.200 3.843 3.781 3.987 0.019 3 0 "[ . 1 . ]" 1
498 3 3 . H1' 3 3 . H3' 3.800 3.100 4.500 3.982 3.952 4.005 . 0 0 "[ . 1 . ]" 1
499 3 3 . H1' 3 3 . H2' 2.900 2.200 3.600 3.004 2.989 3.021 . 0 0 "[ . 1 . ]" 1
500 3 3 . H2' 3 3 . H3' 2.600 . 3.300 2.284 2.277 2.291 . 0 0 "[ . 1 . ]" 1
501 3 3 . H2' 3 3 . H4' 4.500 3.800 5.200 3.950 3.918 3.976 . 0 0 "[ . 1 . ]" 1
502 3 3 . H2' 3 3 . H8 2.500 . 3.200 2.074 2.054 2.094 . 0 0 "[ . 1 . ]" 1
503 3 3 . H2' 3 4 . H8 4.200 3.500 4.900 3.818 3.680 4.106 . 0 0 "[ . 1 . ]" 1
504 3 3 . H1' 3 3 . H2'' 2.600 . 3.300 2.286 2.279 2.296 . 0 0 "[ . 1 . ]" 1
505 3 3 . H2' 3 3 . H2'' 1.900 . 2.200 1.827 1.825 1.829 . 0 0 "[ . 1 . ]" 1
506 3 3 . H2'' 3 3 . H3' 2.800 2.100 3.500 2.795 2.774 2.815 . 0 0 "[ . 1 . ]" 1
507 3 3 . H2'' 3 3 . H4' 4.700 4.000 5.400 3.932 3.904 3.960 0.096 16 0 "[ . 1 . ]" 1
508 3 3 . H2'' 3 3 . H8 3.100 2.400 3.800 3.656 3.570 3.703 . 0 0 "[ . 1 . ]" 1
509 3 3 . H2'' 3 4 . H8 3.100 2.400 3.800 2.448 2.378 2.685 0.022 14 0 "[ . 1 . ]" 1
510 3 3 . H3' 3 3 . H8 4.000 3.300 4.700 3.904 3.802 4.037 . 0 0 "[ . 1 . ]" 1
511 3 3 . H1' 3 3 . H4' 3.600 2.900 4.300 3.492 3.451 3.538 . 0 0 "[ . 1 . ]" 1
512 3 3 . H3' 3 3 . H4' 2.900 2.200 3.600 2.782 2.768 2.797 . 0 0 "[ . 1 . ]" 1
513 3 3 . H4' 3 3 . H8 5.100 4.400 5.800 5.016 4.968 5.096 . 0 0 "[ . 1 . ]" 1
514 3 3 . H4' 3 4 . H5'' 5.200 4.500 5.400 4.724 4.531 4.880 . 0 0 "[ . 1 . ]" 1
515 3 3 . H3' 3 3 . H5'' 3.000 2.300 3.700 3.546 3.535 3.553 . 0 0 "[ . 1 . ]" 1
516 3 3 . H4' 3 3 . H5'' 2.800 2.100 3.500 2.450 2.411 2.471 . 0 0 "[ . 1 . ]" 1
517 3 3 . H5'' 3 3 . H8 5.100 4.400 5.800 4.395 4.338 4.599 0.062 15 0 "[ . 1 . ]" 1
518 2 2 . H8 3 3 . H5'' 4.900 4.200 5.600 5.117 4.978 5.271 . 0 0 "[ . 1 . ]" 1
519 3 3 . H3' 3 3 . H5' 2.900 2.200 3.600 2.356 2.268 2.409 . 0 0 "[ . 1 . ]" 1
520 3 3 . H4' 3 3 . H5' 2.700 . 3.400 2.454 2.432 2.499 . 0 0 "[ . 1 . ]" 1
521 3 3 . H5' 3 3 . H5'' 1.900 . 2.200 1.776 1.774 1.778 0.026 5 0 "[ . 1 . ]" 1
522 3 3 . H5' 3 3 . H8 4.300 4.200 4.600 4.576 4.469 4.628 0.028 3 0 "[ . 1 . ]" 1
523 2 2 . H8 3 3 . H5' 5.300 5.200 5.600 5.360 5.201 5.559 . 0 0 "[ . 1 . ]" 1
524 3 4 . H1' 3 4 . H3' 4.500 3.800 5.200 3.948 3.911 3.972 . 0 0 "[ . 1 . ]" 1
525 3 4 . H1' 3 4 . H8 4.700 4.000 5.400 3.893 3.887 3.900 0.113 10 0 "[ . 1 . ]" 1
526 3 4 . H1' 3 5 . H8 4.700 4.000 5.400 4.810 4.622 4.983 . 0 0 "[ . 1 . ]" 1
527 2 3 . H8 3 4 . H1' 5.400 4.700 6.100 5.683 5.368 5.909 . 0 0 "[ . 1 . ]" 1
528 3 4 . H1' 3 4 . H2' 3.400 2.700 4.100 2.984 2.971 3.003 . 0 0 "[ . 1 . ]" 1
529 3 4 . H2' 3 4 . H2'' 1.900 . 2.200 1.824 1.822 1.826 . 0 0 "[ . 1 . ]" 1
530 3 4 . H2' 3 4 . H3' 2.700 . 3.400 2.292 2.285 2.302 . 0 0 "[ . 1 . ]" 1
531 3 4 . H2' 3 4 . H4' 4.500 3.800 5.200 3.950 3.924 3.963 . 0 0 "[ . 1 . ]" 1
532 3 4 . H2' 3 4 . H8 2.600 . 3.300 2.222 2.188 2.306 . 0 0 "[ . 1 . ]" 1
533 3 4 . H2' 3 5 . H5'' 4.700 4.000 5.400 4.728 4.578 5.014 . 0 0 "[ . 1 . ]" 1
534 3 4 . H2' 3 5 . H8 3.500 2.800 4.200 3.343 3.171 3.576 . 0 0 "[ . 1 . ]" 1
535 3 4 . H1' 3 4 . H2'' 2.600 . 3.300 2.274 2.263 2.291 . 0 0 "[ . 1 . ]" 1
536 3 4 . H2'' 3 4 . H3' 2.800 2.100 3.500 2.810 2.791 2.827 . 0 0 "[ . 1 . ]" 1
537 3 4 . H2'' 3 4 . H4' 4.200 3.500 4.900 3.829 3.775 3.868 . 0 0 "[ . 1 . ]" 1
538 3 4 . H2'' 3 4 . H8 3.200 2.500 3.900 3.826 3.785 3.897 . 0 0 "[ . 1 . ]" 1
539 3 4 . H2'' 3 5 . H5'' 3.200 2.500 3.900 3.030 2.824 3.346 . 0 0 "[ . 1 . ]" 1
540 3 4 . H2'' 3 5 . H8 3.200 2.500 3.900 3.093 2.804 3.326 . 0 0 "[ . 1 . ]" 1
541 3 4 . H3' 3 4 . H8 3.900 3.200 4.600 3.859 3.765 4.016 . 0 0 "[ . 1 . ]" 1
542 3 4 . H1' 3 4 . H4' 3.400 2.700 4.100 3.298 3.209 3.398 . 0 0 "[ . 1 . ]" 1
543 3 4 . H4' 3 4 . H5'' 2.400 . 3.100 2.360 2.347 2.394 . 0 0 "[ . 1 . ]" 1
544 3 4 . H4' 3 4 . H5' 2.300 . 3.000 2.552 2.507 2.568 . 0 0 "[ . 1 . ]" 1
545 2 3 . H8 3 4 . H4' 4.100 3.400 4.800 3.812 3.515 4.143 . 0 0 "[ . 1 . ]" 1
546 3 3 . H1' 3 3 . H8 4.100 3.400 4.800 3.862 3.849 3.869 . 0 0 "[ . 1 . ]" 1
547 3 4 . H3' 3 4 . H5'' 3.800 3.100 4.500 3.514 3.508 3.533 . 0 0 "[ . 1 . ]" 1
548 3 4 . H5'' 3 4 . H8 4.800 4.100 5.500 4.564 4.421 4.657 . 0 0 "[ . 1 . ]" 1
549 2 2 . H8 3 4 . H5'' 4.900 4.200 5.600 4.241 4.178 4.442 0.022 7 0 "[ . 1 . ]" 1
550 2 3 . H8 3 4 . H5'' 5.300 4.600 6.000 4.793 4.604 5.183 . 0 0 "[ . 1 . ]" 1
551 3 4 . H3' 3 4 . H5' 2.700 . 3.400 2.214 2.185 2.307 . 0 0 "[ . 1 . ]" 1
552 3 4 . H5' 3 4 . H5'' 1.900 . 2.200 1.777 1.776 1.778 0.024 3 0 "[ . 1 . ]" 1
553 3 5 . H1' 3 5 . H8 4.000 3.300 4.700 3.814 3.803 3.824 . 0 0 "[ . 1 . ]" 1
554 3 5 . H1' 3 6 DT H6 4.500 3.800 5.200 3.968 3.815 4.140 . 0 0 "[ . 1 . ]" 1
555 3 5 . H1' 3 5 . H2' 2.900 2.200 3.600 3.031 3.022 3.040 . 0 0 "[ . 1 . ]" 1
556 3 5 . H2' 3 5 . H3' 2.500 . 3.200 2.246 2.240 2.254 . 0 0 "[ . 1 . ]" 1
557 3 5 . H2' 3 5 . H4' 3.700 3.000 4.400 3.870 3.858 3.883 . 0 0 "[ . 1 . ]" 1
558 3 5 . H2' 3 5 . H8 2.300 . 3.000 1.999 1.985 2.020 . 0 0 "[ . 1 . ]" 1
559 3 5 . H2' 3 6 DT H6 4.900 4.200 5.600 4.132 4.112 4.154 0.088 5 0 "[ . 1 . ]" 1
560 3 5 . H1' 3 5 . H2'' 2.400 . 3.100 2.328 2.306 2.349 . 0 0 "[ . 1 . ]" 1
561 3 5 . H2' 3 5 . H2'' 1.900 . 2.200 1.818 1.815 1.822 . 0 0 "[ . 1 . ]" 1
562 3 5 . H2'' 3 5 . H3' 2.600 . 3.300 2.814 2.807 2.822 . 0 0 "[ . 1 . ]" 1
563 3 5 . H2'' 3 5 . H4' 4.000 3.300 4.700 3.684 3.675 3.696 . 0 0 "[ . 1 . ]" 1
564 3 5 . H2'' 3 5 . H8 2.800 2.100 3.500 3.301 3.230 3.393 . 0 0 "[ . 1 . ]" 1
565 3 5 . H2'' 3 6 DT H6 3.600 2.900 4.300 2.994 2.866 3.113 0.034 12 0 "[ . 1 . ]" 1
566 3 5 . H1' 3 5 . H3' 3.600 2.900 4.300 3.803 3.788 3.818 . 0 0 "[ . 1 . ]" 1
567 3 5 . H3' 3 5 . H8 3.300 2.600 4.000 4.098 4.053 4.138 0.138 11 0 "[ . 1 . ]" 1
568 3 5 . H3' 3 6 DT H6 6.100 5.400 6.800 5.748 5.622 5.872 . 0 0 "[ . 1 . ]" 1
569 3 5 . H1' 3 5 . H4' 3.300 2.600 4.000 2.745 2.696 2.806 . 0 0 "[ . 1 . ]" 1
570 3 5 . H3' 3 5 . H4' 2.800 2.100 3.500 2.923 2.914 2.932 . 0 0 "[ . 1 . ]" 1
571 3 5 . H4' 3 5 . H5'' 2.400 . 3.100 2.609 2.605 2.613 . 0 0 "[ . 1 . ]" 1
572 3 5 . H4' 3 5 . H8 5.200 4.500 5.900 5.256 5.212 5.291 . 0 0 "[ . 1 . ]" 1
573 3 3 . H1' 3 4 . H8 4.000 3.300 4.700 4.127 4.038 4.281 . 0 0 "[ . 1 . ]" 1
574 3 4 . H1' 3 5 . H5'' 4.300 3.600 5.000 3.838 3.715 4.048 . 0 0 "[ . 1 . ]" 1
575 3 5 . H1' 3 5 . H5'' 4.700 4.000 5.400 4.408 4.377 4.444 . 0 0 "[ . 1 . ]" 1
576 3 5 . H3' 3 5 . H5'' 2.600 . 3.300 3.449 3.444 3.454 0.154 4 0 "[ . 1 . ]" 1
577 3 5 . H5'' 3 5 . H8 4.500 3.800 5.200 5.203 5.076 5.288 0.088 10 0 "[ . 1 . ]" 1
578 2 6 DT Q5' 3 5 . H1' 3.500 2.800 4.200 8.543 8.262 8.780 4.580 5 16 [****+*******-***] 1
579 3 5 . H8 3 6 DT Q5' 5.500 4.800 6.200 5.237 5.102 5.276 . 0 0 "[ . 1 . ]" 1
580 3 6 DT H1' 3 6 DT Q5' 5.500 5.000 6.500 4.097 4.060 4.134 0.940 14 16 [**-**********+**] 1
581 3 6 DT H3' 3 6 DT Q5' 6.000 5.300 6.700 2.429 2.089 2.774 3.211 2 16 [*+******-*******] 1
582 3 6 DT Q5' 3 6 DT H6 3.000 2.300 3.700 3.055 2.946 3.150 . 0 0 "[ . 1 . ]" 1
583 3 5 . H8 3 6 DT H1' 4.900 4.200 5.600 5.428 5.061 5.777 0.177 6 0 "[ . 1 . ]" 1
584 3 6 DT H1' 3 6 DT H6 3.300 2.600 4.000 3.628 3.578 3.674 . 0 0 "[ . 1 . ]" 1
585 3 6 DT H1' 3 6 DT H2' 2.400 . 3.100 3.011 3.007 3.016 . 0 0 "[ . 1 . ]" 1
586 3 6 DT H2' 3 6 DT H3' 2.400 . 3.100 2.280 2.257 2.304 . 0 0 "[ . 1 . ]" 1
587 3 6 DT H2' 3 6 DT H5'' 4.100 3.400 4.800 4.247 3.631 4.850 0.050 9 0 "[ . 1 . ]" 1
588 3 6 DT H2' 3 6 DT H5' 3.200 2.500 3.900 3.923 3.774 4.061 0.161 5 0 "[ . 1 . ]" 1
589 3 6 DT H2' 3 6 DT H6 2.600 . 3.300 3.022 2.845 3.190 . 0 0 "[ . 1 . ]" 1
590 3 6 DT H1' 3 6 DT H3' 4.700 4.000 5.400 3.893 3.879 3.911 0.121 14 0 "[ . 1 . ]" 1
591 3 6 DT H3' 3 6 DT H5'' 3.200 2.500 3.800 3.107 2.726 3.473 . 0 0 "[ . 1 . ]" 1
592 3 6 DT H3' 3 6 DT H6 3.400 2.700 4.100 4.164 4.121 4.200 0.100 2 0 "[ . 1 . ]" 1
593 3 5 . H8 3 6 DT H4' 5.100 4.400 5.800 5.946 5.884 6.013 0.213 15 0 "[ . 1 . ]" 1
594 3 6 DT H1' 3 6 DT H4' 3.200 2.500 3.900 2.884 2.832 2.950 . 0 0 "[ . 1 . ]" 1
595 3 6 DT H2' 3 6 DT H4' 3.200 2.500 3.900 3.896 3.885 3.910 0.010 4 0 "[ . 1 . ]" 1
596 3 5 . H1' 3 6 DT H5'' 5.500 4.800 6.200 5.423 4.695 6.143 0.105 5 0 "[ . 1 . ]" 1
597 3 5 . H8 3 6 DT H5'' 6.000 5.300 6.700 6.072 5.289 6.745 0.045 11 0 "[ . 1 . ]" 1
598 3 6 DT H1' 3 6 DT H5'' 5.300 4.600 6.000 4.568 4.459 4.683 0.141 1 0 "[ . 1 . ]" 1
599 3 6 DT H5'' 3 6 DT H6 3.600 2.900 4.300 3.797 2.985 4.592 0.292 11 0 "[ . 1 . ]" 1
600 3 5 . H1' 3 6 DT H5' 5.500 4.800 6.200 4.948 4.457 5.449 0.343 11 0 "[ . 1 . ]" 1
601 3 5 . H3' 3 6 DT H5' 4.900 4.200 5.600 4.691 4.141 5.247 0.059 15 0 "[ . 1 . ]" 1
602 3 5 . H4' 3 6 DT H5' 6.000 5.300 6.700 5.734 5.266 6.220 0.034 13 0 "[ . 1 . ]" 1
603 3 6 DT H3' 3 6 DT H5' 2.600 . 3.300 2.538 2.161 2.919 . 0 0 "[ . 1 . ]" 1
604 3 6 DT H5' 3 6 DT H5'' 1.900 . 2.200 1.760 1.745 1.775 0.055 12 0 "[ . 1 . ]" 1
605 3 6 DT H5' 3 6 DT H6 4.100 3.400 4.800 3.873 3.180 4.600 0.220 9 0 "[ . 1 . ]" 1
606 2 1 DT H5'' 3 2 . H4' 4.600 3.900 5.300 3.906 3.855 4.000 0.045 5 0 "[ . 1 . ]" 1
607 3 4 . HN1 3 5 . HN62 5.500 4.500 6.500 4.538 4.310 4.880 0.190 12 0 "[ . 1 . ]" 1
608 3 4 . HN1 3 5 . HN61 4.500 4.200 5.200 5.062 4.889 5.307 0.107 2 0 "[ . 1 . ]" 1
609 3 3 . HN62 3 4 . HN1 5.500 4.500 6.500 5.227 5.094 5.271 . 0 0 "[ . 1 . ]" 1
610 3 3 . HN61 3 4 . HN1 4.500 4.200 5.200 5.703 5.544 5.853 0.653 8 8 "[ * ** + * * -*]" 1
611 3 3 . HN1 3 4 . HN62 5.500 4.500 6.500 4.652 4.340 5.177 0.160 12 0 "[ . 1 . ]" 1
612 3 3 . HN1 3 4 . HN61 4.500 4.200 5.200 5.536 5.269 5.950 0.750 3 3 "[ *+-. 1 . ]" 1
613 3 2 . HN62 3 3 . HN1 5.500 4.500 6.500 5.240 5.203 5.270 . 0 0 "[ . 1 . ]" 1
614 3 2 . HN61 3 3 . HN1 4.500 4.200 5.200 5.628 5.553 5.722 0.522 4 1 "[ +. 1 . ]" 1
615 3 4 . HN62 3 5 . HN1 5.500 4.500 6.500 5.208 5.053 5.286 . 0 0 "[ . 1 . ]" 1
616 3 4 . HN61 3 5 . HN1 4.500 4.200 5.200 6.003 5.911 6.145 0.945 5 16 [****+*******-***] 1
617 3 2 . HN1 3 3 . HN62 5.500 4.500 6.500 4.976 4.809 5.151 . 0 0 "[ . 1 . ]" 1
618 3 2 . HN1 3 3 . HN61 4.900 4.600 5.600 6.071 5.950 6.251 0.651 3 6 "[* + * * - *. ]" 1
619 3 5 . HN1 3 6 DT H6 5.500 4.500 6.500 6.035 5.545 6.500 . 0 0 "[ . 1 . ]" 1
620 2 5 . HN1 3 5 . H1' 3.100 2.800 3.800 3.616 3.370 3.812 0.012 7 0 "[ . 1 . ]" 1
621 2 4 . HN1 3 4 . H1' 3.500 3.200 4.200 4.110 4.032 4.193 . 0 0 "[ . 1 . ]" 1
622 2 4 . HN1 3 4 . H2'' 5.500 4.500 6.500 5.937 5.844 6.040 . 0 0 "[ . 1 . ]" 1
623 2 3 . HN1 3 3 . H1' 3.100 2.800 3.800 3.998 3.963 4.016 0.216 1 0 "[ . 1 . ]" 1
624 2 3 . HN1 3 3 . H2'' 5.500 4.500 6.500 5.974 5.931 6.006 . 0 0 "[ . 1 . ]" 1
625 2 5 . HN1 3 5 . H2'' 5.500 4.500 6.500 5.828 5.564 6.040 . 0 0 "[ . 1 . ]" 1
626 2 5 . HN1 3 5 . H4' 5.000 4.000 6.000 5.165 4.947 5.385 . 0 0 "[ . 1 . ]" 1
627 3 5 . HN1 3 6 DT Q5' 3.700 3.000 4.700 8.304 7.924 8.629 3.929 12 16 [***-*******+****] 1
628 3 5 . HN61 3 6 DT Q5' 3.700 3.000 4.700 8.038 7.694 8.340 3.640 12 16 [***-*******+****] 1
629 3 1 DT Q5' 3 2 . HN1 3.600 2.900 4.600 4.130 4.107 4.153 . 0 0 "[ . 1 . ]" 1
630 3 1 DT H5'' 3 2 . HN1 3.400 2.700 4.100 4.217 4.193 4.242 0.142 7 0 "[ . 1 . ]" 1
631 2 2 . HN1 3 2 . H1' 3.200 2.900 3.900 4.042 4.028 4.054 0.154 14 0 "[ . 1 . ]" 1
632 2 2 . HN1 3 3 . H1' 5.500 4.500 6.500 5.397 5.178 5.553 . 0 0 "[ . 1 . ]" 1
633 2 2 . HN1 3 2 . H2'' 5.500 4.500 6.500 6.150 6.129 6.170 . 0 0 "[ . 1 . ]" 1
634 2 2 . HN61 3 2 . H1' 2.400 . 3.100 2.303 2.276 2.331 . 0 0 "[ . 1 . ]" 1
635 2 3 . HN61 3 3 . H1' 2.400 . 3.100 2.310 2.249 2.383 . 0 0 "[ . 1 . ]" 1
636 2 4 . HN61 3 4 . H1' 2.500 . 3.200 2.100 2.038 2.175 . 0 0 "[ . 1 . ]" 1
637 2 5 . HN61 3 5 . H1' 2.300 . 3.000 2.954 2.832 3.029 0.029 15 0 "[ . 1 . ]" 1
638 3 1 DT Q5' 3 2 . HN61 3.800 3.100 4.800 2.017 1.923 2.184 1.177 10 16 [***-*****+******] 1
639 3 1 DT Q5' 3 2 . HN62 5.600 4.900 6.600 2.935 2.877 3.020 2.023 16 16 [*******-*******+] 1
640 2 2 . HN61 3 2 . H2'' 3.300 2.600 4.000 3.622 3.559 3.670 . 0 0 "[ . 1 . ]" 1
641 2 3 . HN61 3 3 . H2'' 3.700 3.000 4.400 3.473 3.378 3.561 . 0 0 "[ . 1 . ]" 1
642 2 4 . HN61 3 4 . H2'' 3.200 2.500 3.900 3.763 3.689 3.873 . 0 0 "[ . 1 . ]" 1
643 2 5 . HN61 3 5 . H2'' 3.600 2.900 4.300 4.950 4.770 5.054 0.754 15 15 "[*-***** ******+*]" 1
644 2 2 . HN61 3 2 . H2' 5.500 5.000 6.500 4.980 4.949 5.009 0.051 11 0 "[ . 1 . ]" 1
645 2 3 . HN61 3 3 . H2' 5.500 5.000 6.500 4.924 4.848 4.983 0.152 14 0 "[ . 1 . ]" 1
646 2 4 . HN62 3 4 . H2'' 4.400 3.700 5.100 3.876 3.774 3.933 . 0 0 "[ . 1 . ]" 1
647 2 4 . HN62 3 5 . H5'' 4.300 3.600 5.000 4.664 4.545 4.826 . 0 0 "[ . 1 . ]" 1
648 3 1 DT Q5' 4 1 DT H1' 5.200 4.500 5.900 7.122 7.050 7.214 1.314 10 16 [*********+***-**] 1
649 4 1 DT H3' 4 1 DT Q5' 6.100 5.400 6.800 2.096 2.084 2.103 3.316 6 16 [*-***+**********] 1
650 4 1 DT Q5' 4 1 DT H6 3.100 2.400 3.800 2.425 2.414 2.445 . 0 0 "[ . 1 . ]" 1
651 3 1 DT Q5' 4 2 . H4' 4.700 4.000 5.700 2.951 2.839 3.069 1.161 7 16 [******+***-*****] 1
652 4 1 DT H1' 4 1 DT H6 3.100 2.400 3.800 3.704 3.695 3.719 . 0 0 "[ . 1 . ]" 1
653 4 1 DT H1' 4 1 DT H2' 3.100 2.400 3.800 2.972 2.968 2.974 . 0 0 "[ . 1 . ]" 1
654 4 1 DT H2' 4 1 DT H2'' 2.000 . 2.300 1.823 1.821 1.825 . 0 0 "[ . 1 . ]" 1
655 4 1 DT H2' 4 1 DT H3' 2.600 . 3.300 2.325 2.322 2.331 . 0 0 "[ . 1 . ]" 1
656 4 1 DT H2' 4 1 DT H5' 4.700 4.000 5.400 4.269 4.258 4.283 . 0 0 "[ . 1 . ]" 1
657 4 1 DT H2' 4 1 DT H5'' 3.600 2.900 4.300 2.824 2.809 2.837 0.091 2 0 "[ . 1 . ]" 1
658 4 1 DT H2' 4 1 DT H6 2.600 . 3.300 2.429 2.340 2.481 . 0 0 "[ . 1 . ]" 1
659 4 1 DT H2' 4 2 . H5'' 4.000 3.300 4.700 4.453 4.335 4.560 . 0 0 "[ . 1 . ]" 1
660 4 1 DT H2' 4 2 . H8 4.000 3.300 4.700 4.457 4.343 4.634 . 0 0 "[ . 1 . ]" 1
661 4 1 DT H1' 4 1 DT H2'' 2.600 . 3.300 2.267 2.265 2.268 . 0 0 "[ . 1 . ]" 1
662 4 1 DT H2'' 4 1 DT H3' 2.900 2.200 3.600 2.775 2.773 2.777 . 0 0 "[ . 1 . ]" 1
663 4 1 DT H2'' 4 1 DT H5' 4.700 4.000 5.400 5.124 5.112 5.153 . 0 0 "[ . 1 . ]" 1
664 4 1 DT H2'' 4 1 DT H5'' 4.100 3.400 4.800 4.120 4.113 4.126 . 0 0 "[ . 1 . ]" 1
665 4 1 DT H2'' 4 1 DT H6 3.200 2.500 3.900 3.941 3.888 3.973 0.073 14 0 "[ . 1 . ]" 1
666 4 1 DT H2'' 4 2 . H4' 4.100 3.400 4.800 4.408 4.299 4.479 . 0 0 "[ . 1 . ]" 1
667 4 1 DT H2'' 4 2 . H5'' 2.900 2.200 3.600 2.819 2.690 2.935 . 0 0 "[ . 1 . ]" 1
668 4 1 DT H2'' 4 2 . H5' 4.300 3.600 5.000 4.323 4.237 4.398 . 0 0 "[ . 1 . ]" 1
669 4 1 DT H2'' 4 2 . H8 4.200 3.500 4.900 4.366 4.281 4.493 . 0 0 "[ . 1 . ]" 1
670 4 1 DT H1' 4 1 DT H3' 4.100 3.400 4.800 3.976 3.972 3.983 . 0 0 "[ . 1 . ]" 1
671 4 1 DT H3' 4 1 DT H6 3.600 2.900 4.300 3.685 3.638 3.714 . 0 0 "[ . 1 . ]" 1
672 4 1 DT H3' 4 2 . H8 3.600 2.900 4.300 3.022 2.934 3.175 . 0 0 "[ . 1 . ]" 1
673 3 2 . H8 4 3 . H4' 3.600 2.900 4.300 3.210 3.011 3.422 . 0 0 "[ . 1 . ]" 1
674 4 1 DT H1' 4 1 DT H4' 3.600 2.900 4.300 3.544 3.533 3.572 . 0 0 "[ . 1 . ]" 1
675 4 1 DT H4' 4 1 DT H6 4.700 4.000 5.400 4.107 4.087 4.146 . 0 0 "[ . 1 . ]" 1
676 4 1 DT H1' 4 1 DT H5' 4.300 3.600 5.000 5.084 5.074 5.091 0.091 14 0 "[ . 1 . ]" 1
677 4 1 DT H1' 4 2 . H5'' 4.100 3.400 4.800 4.393 4.269 4.504 . 0 0 "[ . 1 . ]" 1
678 4 1 DT H3' 4 1 DT H5' 3.000 2.300 3.700 2.974 2.941 3.048 . 0 0 "[ . 1 . ]" 1
679 4 1 DT H5' 4 1 DT H6 4.500 3.800 5.200 3.720 3.701 3.730 0.099 6 0 "[ . 1 . ]" 1
680 4 1 DT H1' 4 1 DT H5'' 4.300 3.600 5.000 4.527 4.518 4.554 . 0 0 "[ . 1 . ]" 1
681 4 1 DT H3' 4 1 DT H5'' 2.700 . 3.400 2.142 2.122 2.153 . 0 0 "[ . 1 . ]" 1
682 4 1 DT H5'' 4 1 DT H6 3.200 2.500 3.900 2.458 2.444 2.481 0.056 5 0 "[ . 1 . ]" 1
683 4 1 DT H5'' 4 2 . H8 5.200 4.500 5.900 4.808 4.720 4.944 . 0 0 "[ . 1 . ]" 1
684 4 2 . H1' 4 2 . H3' 4.300 3.600 5.000 4.054 4.044 4.063 . 0 0 "[ . 1 . ]" 1
685 4 2 . H1' 4 2 . H8 3.900 3.200 4.600 3.839 3.833 3.843 . 0 0 "[ . 1 . ]" 1
686 4 2 . H1' 4 3 . H8 3.900 3.200 4.600 4.134 4.013 4.242 . 0 0 "[ . 1 . ]" 1
687 4 2 . H1' 4 2 . H2' 3.000 2.300 3.700 2.943 2.931 2.957 . 0 0 "[ . 1 . ]" 1
688 4 2 . H2' 4 2 . H3' 2.500 . 3.200 2.281 2.277 2.286 . 0 0 "[ . 1 . ]" 1
689 4 2 . H2' 4 2 . H4' 4.500 3.800 5.200 3.994 3.973 4.011 . 0 0 "[ . 1 . ]" 1
690 4 2 . H2' 4 2 . H5'' 4.300 3.600 5.000 4.408 4.324 4.463 . 0 0 "[ . 1 . ]" 1
691 4 2 . H2' 4 2 . H5' 4.000 3.300 4.700 3.639 3.559 3.715 . 0 0 "[ . 1 . ]" 1
692 4 2 . H2' 4 2 . H8 2.500 . 3.200 2.055 2.045 2.061 . 0 0 "[ . 1 . ]" 1
693 4 2 . H2' 4 3 . H8 4.000 3.300 4.700 3.991 3.780 4.126 . 0 0 "[ . 1 . ]" 1
694 4 2 . H1' 4 2 . H2'' 2.700 . 3.400 2.256 2.250 2.260 . 0 0 "[ . 1 . ]" 1
695 4 2 . H2' 4 2 . H2'' 2.000 . 2.300 1.821 1.820 1.823 . 0 0 "[ . 1 . ]" 1
696 4 2 . H2'' 4 2 . H3' 2.800 2.100 3.500 2.821 2.806 2.837 . 0 0 "[ . 1 . ]" 1
697 4 2 . H2'' 4 2 . H4' 4.300 3.600 5.000 3.918 3.889 3.954 . 0 0 "[ . 1 . ]" 1
698 4 2 . H2'' 4 2 . H8 3.000 2.300 3.700 3.722 3.696 3.736 0.036 12 0 "[ . 1 . ]" 1
699 4 2 . H2'' 4 3 . H8 3.000 2.300 3.700 2.628 2.490 2.742 . 0 0 "[ . 1 . ]" 1
700 4 2 . H3' 4 2 . H8 4.100 3.400 4.800 3.595 3.518 3.701 . 0 0 "[ . 1 . ]" 1
701 4 2 . H3' 4 3 . H8 4.700 4.000 5.400 5.098 4.922 5.209 . 0 0 "[ . 1 . ]" 1
702 4 2 . H1' 4 2 . H4' 3.800 3.100 4.500 3.712 3.706 3.719 . 0 0 "[ . 1 . ]" 1
703 4 2 . H3' 4 2 . H4' 2.900 2.200 3.600 2.754 2.739 2.762 . 0 0 "[ . 1 . ]" 1
704 4 2 . H4' 4 2 . H8 5.000 4.300 5.700 4.821 4.799 4.862 . 0 0 "[ . 1 . ]" 1
705 4 2 . H4' 4 3 . H5'' 3.400 3.200 4.100 3.843 3.753 3.959 . 0 0 "[ . 1 . ]" 1
706 4 2 . H4' 4 3 . H5' 4.500 3.800 5.200 5.185 5.103 5.228 0.028 8 0 "[ . 1 . ]" 1
707 4 2 . H3' 4 2 . H5'' 3.000 2.300 3.700 3.517 3.513 3.521 . 0 0 "[ . 1 . ]" 1
708 4 2 . H4' 4 2 . H5'' 2.700 . 3.400 2.372 2.360 2.382 . 0 0 "[ . 1 . ]" 1
709 4 2 . H5' 4 2 . H5'' 2.000 . 2.300 1.779 1.778 1.780 0.022 4 0 "[ . 1 . ]" 1
710 4 2 . H5'' 4 2 . H8 4.900 4.200 5.600 4.178 4.159 4.198 0.041 8 0 "[ . 1 . ]" 1
711 4 2 . H3' 4 2 . H5' 2.800 2.100 3.500 2.187 2.178 2.195 . 0 0 "[ . 1 . ]" 1
712 4 2 . H4' 4 2 . H5' 2.700 . 3.400 2.565 2.550 2.581 . 0 0 "[ . 1 . ]" 1
713 4 2 . H5' 4 2 . H8 4.500 3.800 5.200 3.814 3.781 3.852 0.019 1 0 "[ . 1 . ]" 1
714 4 3 . H1' 4 3 . H3' 3.800 3.100 4.500 3.975 3.949 4.006 . 0 0 "[ . 1 . ]" 1
715 4 3 . H1' 4 3 . H2' 2.900 2.200 3.600 3.008 2.994 3.020 . 0 0 "[ . 1 . ]" 1
716 4 3 . H2' 4 3 . H3' 2.600 . 3.300 2.286 2.276 2.295 . 0 0 "[ . 1 . ]" 1
717 4 3 . H2' 4 3 . H4' 4.500 3.800 5.200 3.945 3.917 3.970 . 0 0 "[ . 1 . ]" 1
718 4 3 . H2' 4 3 . H8 2.500 . 3.200 2.079 2.060 2.103 . 0 0 "[ . 1 . ]" 1
719 4 3 . H2' 4 4 . H8 4.200 3.500 4.900 3.770 3.644 3.941 . 0 0 "[ . 1 . ]" 1
720 4 3 . H1' 4 3 . H2'' 2.600 . 3.300 2.288 2.280 2.297 . 0 0 "[ . 1 . ]" 1
721 4 3 . H2' 4 3 . H2'' 1.900 . 2.200 1.828 1.825 1.830 . 0 0 "[ . 1 . ]" 1
722 4 3 . H2'' 4 3 . H3' 2.800 2.100 3.500 2.792 2.771 2.810 . 0 0 "[ . 1 . ]" 1
723 4 3 . H2'' 4 3 . H4' 4.700 4.000 5.400 3.935 3.907 3.966 0.093 9 0 "[ . 1 . ]" 1
724 4 3 . H2'' 4 3 . H8 3.100 2.400 3.800 3.654 3.607 3.690 . 0 0 "[ . 1 . ]" 1
725 4 3 . H2'' 4 4 . H8 3.100 2.400 3.800 2.470 2.384 2.701 0.016 6 0 "[ . 1 . ]" 1
726 4 3 . H3' 4 3 . H8 4.000 3.300 4.700 3.929 3.828 4.025 . 0 0 "[ . 1 . ]" 1
727 4 3 . H1' 4 3 . H4' 3.600 2.900 4.300 3.476 3.441 3.523 . 0 0 "[ . 1 . ]" 1
728 4 3 . H3' 4 3 . H4' 2.900 2.200 3.600 2.783 2.764 2.800 . 0 0 "[ . 1 . ]" 1
729 4 3 . H4' 4 3 . H8 5.100 4.400 5.800 5.021 4.990 5.052 . 0 0 "[ . 1 . ]" 1
730 4 3 . H4' 4 4 . H5'' 5.200 4.500 5.400 4.774 4.516 5.067 . 0 0 "[ . 1 . ]" 1
731 4 3 . H3' 4 3 . H5'' 3.000 2.300 3.700 3.549 3.544 3.553 . 0 0 "[ . 1 . ]" 1
732 4 3 . H4' 4 3 . H5'' 2.800 2.100 3.500 2.451 2.431 2.468 . 0 0 "[ . 1 . ]" 1
733 4 3 . H5'' 4 3 . H8 5.100 4.400 5.800 4.405 4.369 4.475 0.031 10 0 "[ . 1 . ]" 1
734 3 2 . H8 4 3 . H5'' 4.900 4.200 5.600 5.234 5.077 5.346 . 0 0 "[ . 1 . ]" 1
735 4 3 . H3' 4 3 . H5' 2.900 2.200 3.600 2.359 2.312 2.397 . 0 0 "[ . 1 . ]" 1
736 4 3 . H4' 4 3 . H5' 2.700 . 3.400 2.453 2.434 2.477 . 0 0 "[ . 1 . ]" 1
737 4 3 . H5' 4 3 . H5'' 1.900 . 2.200 1.777 1.776 1.778 0.024 4 0 "[ . 1 . ]" 1
738 4 3 . H5' 4 3 . H8 4.300 4.200 4.600 4.602 4.557 4.628 0.028 1 0 "[ . 1 . ]" 1
739 3 2 . H8 4 3 . H5' 5.300 5.200 5.600 5.448 5.224 5.619 0.019 16 0 "[ . 1 . ]" 1
740 4 4 . H1' 4 4 . H3' 4.500 3.800 5.200 3.936 3.900 3.970 . 0 0 "[ . 1 . ]" 1
741 4 4 . H1' 4 4 . H8 4.700 4.000 5.400 3.896 3.890 3.901 0.110 12 0 "[ . 1 . ]" 1
742 4 4 . H1' 4 5 . H8 4.700 4.000 5.400 4.931 4.638 5.256 . 0 0 "[ . 1 . ]" 1
743 3 3 . H8 4 4 . H1' 5.400 4.700 6.100 5.678 5.298 5.993 . 0 0 "[ . 1 . ]" 1
744 4 4 . H1' 4 4 . H2' 3.400 2.700 4.100 2.989 2.973 3.001 . 0 0 "[ . 1 . ]" 1
745 4 4 . H2' 4 4 . H2'' 1.900 . 2.200 1.824 1.822 1.825 . 0 0 "[ . 1 . ]" 1
746 4 4 . H2' 4 4 . H3' 2.700 . 3.400 2.291 2.283 2.298 . 0 0 "[ . 1 . ]" 1
747 4 4 . H2' 4 4 . H4' 4.500 3.800 5.200 3.947 3.933 3.959 . 0 0 "[ . 1 . ]" 1
748 4 4 . H2' 4 4 . H8 2.600 . 3.300 2.245 2.195 2.310 . 0 0 "[ . 1 . ]" 1
749 4 4 . H2' 4 5 . H5'' 4.700 4.000 5.400 4.690 4.499 4.984 . 0 0 "[ . 1 . ]" 1
750 4 4 . H2' 4 5 . H8 3.500 2.800 4.200 3.447 3.109 3.665 . 0 0 "[ . 1 . ]" 1
751 4 4 . H1' 4 4 . H2'' 2.600 . 3.300 2.277 2.262 2.288 . 0 0 "[ . 1 . ]" 1
752 4 4 . H2'' 4 4 . H3' 2.800 2.100 3.500 2.816 2.800 2.833 . 0 0 "[ . 1 . ]" 1
753 4 4 . H2'' 4 4 . H4' 4.200 3.500 4.900 3.804 3.742 3.857 . 0 0 "[ . 1 . ]" 1
754 4 4 . H2'' 4 4 . H8 3.200 2.500 3.900 3.838 3.795 3.887 . 0 0 "[ . 1 . ]" 1
755 4 4 . H2'' 4 5 . H5'' 3.200 2.500 3.900 2.971 2.768 3.331 . 0 0 "[ . 1 . ]" 1
756 4 4 . H2'' 4 5 . H8 3.200 2.500 3.900 3.197 2.851 3.476 . 0 0 "[ . 1 . ]" 1
757 4 4 . H3' 4 4 . H8 3.900 3.200 4.600 3.889 3.793 4.027 . 0 0 "[ . 1 . ]" 1
758 4 4 . H1' 4 4 . H4' 3.400 2.700 4.100 3.232 3.111 3.402 . 0 0 "[ . 1 . ]" 1
759 4 4 . H4' 4 4 . H5'' 2.400 . 3.100 2.362 2.345 2.400 . 0 0 "[ . 1 . ]" 1
760 4 4 . H4' 4 4 . H5' 2.300 . 3.000 2.551 2.505 2.574 . 0 0 "[ . 1 . ]" 1
761 3 3 . H8 4 4 . H4' 4.100 3.400 4.800 3.833 3.593 4.191 . 0 0 "[ . 1 . ]" 1
762 4 3 . H1' 4 3 . H8 4.100 3.400 4.800 3.862 3.852 3.870 . 0 0 "[ . 1 . ]" 1
763 4 4 . H3' 4 4 . H5'' 3.800 3.100 4.500 3.520 3.506 3.542 . 0 0 "[ . 1 . ]" 1
764 4 4 . H5'' 4 4 . H8 4.800 4.100 5.500 4.651 4.387 4.833 . 0 0 "[ . 1 . ]" 1
765 3 2 . H8 4 4 . H5'' 4.900 4.200 5.600 4.323 4.169 4.746 0.031 4 0 "[ . 1 . ]" 1
766 3 3 . H8 4 4 . H5'' 5.300 4.600 6.000 4.834 4.596 5.202 0.004 3 0 "[ . 1 . ]" 1
767 4 4 . H3' 4 4 . H5' 2.700 . 3.400 2.232 2.185 2.332 . 0 0 "[ . 1 . ]" 1
768 4 4 . H5' 4 4 . H5'' 1.900 . 2.200 1.777 1.775 1.778 0.025 4 0 "[ . 1 . ]" 1
769 4 5 . H1' 4 5 . H8 4.000 3.300 4.700 3.815 3.804 3.824 . 0 0 "[ . 1 . ]" 1
770 4 5 . H1' 4 6 DT H6 4.500 3.800 5.200 3.846 3.804 3.912 . 0 0 "[ . 1 . ]" 1
771 4 5 . H1' 4 5 . H2' 2.900 2.200 3.600 3.028 3.021 3.032 . 0 0 "[ . 1 . ]" 1
772 4 5 . H2' 4 5 . H3' 2.500 . 3.200 2.249 2.245 2.255 . 0 0 "[ . 1 . ]" 1
773 4 5 . H2' 4 5 . H4' 3.700 3.000 4.400 3.880 3.876 3.886 . 0 0 "[ . 1 . ]" 1
774 4 5 . H2' 4 5 . H8 2.300 . 3.000 1.994 1.972 2.017 . 0 0 "[ . 1 . ]" 1
775 4 5 . H2' 4 6 DT H6 4.900 4.200 5.600 4.133 4.111 4.150 0.089 3 0 "[ . 1 . ]" 1
776 4 5 . H1' 4 5 . H2'' 2.400 . 3.100 2.313 2.302 2.321 . 0 0 "[ . 1 . ]" 1
777 4 5 . H2' 4 5 . H2'' 1.900 . 2.200 1.815 1.813 1.816 . 0 0 "[ . 1 . ]" 1
778 4 5 . H2'' 4 5 . H3' 2.600 . 3.300 2.817 2.811 2.825 . 0 0 "[ . 1 . ]" 1
779 4 5 . H2'' 4 5 . H4' 4.000 3.300 4.700 3.684 3.667 3.702 . 0 0 "[ . 1 . ]" 1
780 4 5 . H2'' 4 5 . H8 2.800 2.100 3.500 3.335 3.289 3.382 . 0 0 "[ . 1 . ]" 1
781 4 5 . H2'' 4 6 DT H6 3.600 2.900 4.300 3.114 3.087 3.141 . 0 0 "[ . 1 . ]" 1
782 4 5 . H1' 4 5 . H3' 3.600 2.900 4.300 3.816 3.807 3.827 . 0 0 "[ . 1 . ]" 1
783 4 5 . H3' 4 5 . H8 3.300 2.600 4.000 4.068 4.051 4.080 0.080 10 0 "[ . 1 . ]" 1
784 4 5 . H3' 4 6 DT H6 6.100 5.400 6.800 5.870 5.842 5.895 . 0 0 "[ . 1 . ]" 1
785 4 5 . H1' 4 5 . H4' 3.300 2.600 4.000 2.788 2.763 2.825 . 0 0 "[ . 1 . ]" 1
786 4 5 . H3' 4 5 . H4' 2.800 2.100 3.500 2.917 2.911 2.922 . 0 0 "[ . 1 . ]" 1
787 4 5 . H4' 4 5 . H5'' 2.400 . 3.100 2.609 2.602 2.612 . 0 0 "[ . 1 . ]" 1
788 4 5 . H4' 4 5 . H8 5.200 4.500 5.900 5.240 5.215 5.261 . 0 0 "[ . 1 . ]" 1
789 4 3 . H1' 4 4 . H8 4.000 3.300 4.700 4.217 3.982 4.488 . 0 0 "[ . 1 . ]" 1
790 4 4 . H1' 4 5 . H5'' 4.300 3.600 5.000 3.805 3.618 4.053 . 0 0 "[ . 1 . ]" 1
791 4 5 . H1' 4 5 . H5'' 4.700 4.000 5.400 4.436 4.426 4.449 . 0 0 "[ . 1 . ]" 1
792 4 5 . H3' 4 5 . H5'' 2.600 . 3.300 3.455 3.451 3.459 0.159 7 0 "[ . 1 . ]" 1
793 4 5 . H5'' 4 5 . H8 4.500 3.800 5.200 5.154 5.066 5.214 0.014 16 0 "[ . 1 . ]" 1
794 4 5 . H8 4 6 DT Q5' 5.500 4.800 6.200 5.162 5.090 5.259 . 0 0 "[ . 1 . ]" 1
795 4 6 DT H1' 4 6 DT Q5' 5.500 5.000 6.500 4.131 4.122 4.139 0.878 6 16 [*****+****-*****] 1
796 4 6 DT H3' 4 6 DT Q5' 6.000 5.300 6.700 2.094 2.089 2.098 3.211 1 16 [+********-******] 1
797 4 6 DT Q5' 4 6 DT H6 3.000 2.300 3.700 2.984 2.961 3.038 . 0 0 "[ . 1 . ]" 1
798 4 5 . H8 4 6 DT H1' 4.900 4.200 5.600 5.772 5.753 5.788 0.188 15 0 "[ . 1 . ]" 1
799 4 6 DT H1' 4 6 DT H6 3.300 2.600 4.000 3.603 3.572 3.625 . 0 0 "[ . 1 . ]" 1
800 4 6 DT H1' 4 6 DT H2' 2.400 . 3.100 3.012 3.004 3.018 . 0 0 "[ . 1 . ]" 1
801 4 6 DT H2' 4 6 DT H3' 2.400 . 3.100 2.259 2.257 2.262 . 0 0 "[ . 1 . ]" 1
802 4 6 DT H2' 4 6 DT H5'' 4.100 3.400 4.800 3.633 3.590 3.670 . 0 0 "[ . 1 . ]" 1
803 4 6 DT H2' 4 6 DT H5' 3.200 2.500 3.900 4.058 4.051 4.065 0.165 14 0 "[ . 1 . ]" 1
804 4 6 DT H2' 4 6 DT H6 2.600 . 3.300 3.122 3.035 3.208 . 0 0 "[ . 1 . ]" 1
805 4 6 DT H1' 4 6 DT H3' 4.700 4.000 5.400 3.903 3.891 3.909 0.109 16 0 "[ . 1 . ]" 1
806 4 6 DT H3' 4 6 DT H5'' 3.200 2.500 3.800 2.729 2.701 2.751 . 0 0 "[ . 1 . ]" 1
807 4 6 DT H3' 4 6 DT H6 3.400 2.700 4.100 4.186 4.169 4.211 0.111 5 0 "[ . 1 . ]" 1
808 4 5 . H8 4 6 DT H4' 5.100 4.400 5.800 5.888 5.874 5.903 0.103 7 0 "[ . 1 . ]" 1
809 4 6 DT H1' 4 6 DT H4' 3.200 2.500 3.900 2.928 2.905 2.949 . 0 0 "[ . 1 . ]" 1
810 4 6 DT H2' 4 6 DT H4' 3.200 2.500 3.900 3.904 3.896 3.909 0.009 5 0 "[ . 1 . ]" 1
811 4 5 . H1' 4 6 DT H5'' 5.500 4.800 6.200 4.706 4.682 4.739 0.118 5 0 "[ . 1 . ]" 1
812 4 5 . H8 4 6 DT H5'' 6.000 5.300 6.700 5.358 5.277 5.468 0.023 16 0 "[ . 1 . ]" 1
813 4 6 DT H1' 4 6 DT H5'' 5.300 4.600 6.000 4.468 4.456 4.475 0.144 6 0 "[ . 1 . ]" 1
814 4 6 DT H5'' 4 6 DT H6 3.600 2.900 4.300 3.025 3.001 3.082 . 0 0 "[ . 1 . ]" 1
815 4 5 . H1' 4 6 DT H5' 5.500 4.800 6.200 5.422 5.370 5.461 . 0 0 "[ . 1 . ]" 1
816 4 5 . H3' 4 6 DT H5' 4.900 4.200 5.600 5.237 5.221 5.255 . 0 0 "[ . 1 . ]" 1
817 4 5 . H4' 4 6 DT H5' 6.000 5.300 6.700 6.197 6.145 6.222 . 0 0 "[ . 1 . ]" 1
818 4 6 DT H3' 4 6 DT H5' 2.600 . 3.300 2.175 2.165 2.185 . 0 0 "[ . 1 . ]" 1
819 4 6 DT H5' 4 6 DT H5'' 1.900 . 2.200 1.773 1.772 1.775 0.028 16 0 "[ . 1 . ]" 1
820 4 6 DT H5' 4 6 DT H6 4.000 3.300 4.700 4.562 4.540 4.612 . 0 0 "[ . 1 . ]" 1
821 3 1 DT H5'' 4 2 . H4' 4.600 3.900 5.300 3.935 3.879 4.011 0.021 4 0 "[ . 1 . ]" 1
822 4 4 . HN1 4 5 . HN62 5.500 4.500 6.500 4.714 4.441 5.067 0.059 6 0 "[ . 1 . ]" 1
823 4 4 . HN1 4 5 . HN61 4.500 4.200 5.200 5.190 4.894 5.635 0.435 16 0 "[ . 1 . ]" 1
824 4 3 . HN62 4 4 . HN1 5.500 4.500 6.500 5.232 5.129 5.263 . 0 0 "[ . 1 . ]" 1
825 4 3 . HN61 4 4 . HN1 4.500 4.200 5.200 5.675 5.545 5.757 0.557 14 8 "[ *.**-** * +. ]" 1
826 4 3 . HN1 4 4 . HN62 5.500 4.500 6.500 4.811 4.542 5.025 . 0 0 "[ . 1 . ]" 1
827 4 3 . HN1 4 4 . HN61 4.500 4.200 5.200 5.661 5.450 5.909 0.709 5 7 "[- + *** * .*]" 1
828 4 2 . HN62 4 3 . HN1 5.500 4.500 6.500 5.236 5.147 5.262 . 0 0 "[ . 1 . ]" 1
829 4 2 . HN61 4 3 . HN1 4.500 4.200 5.200 5.619 5.504 5.703 0.503 4 1 "[ +. 1 . ]" 1
830 4 4 . HN62 4 5 . HN1 5.500 4.500 6.500 5.244 5.216 5.281 . 0 0 "[ . 1 . ]" 1
831 4 4 . HN61 4 5 . HN1 4.500 4.200 5.200 6.027 5.829 6.097 0.897 12 16 [***********+***-] 1
832 4 2 . HN1 4 3 . HN62 5.500 4.500 6.500 5.050 4.820 5.246 . 0 0 "[ . 1 . ]" 1
833 4 2 . HN1 4 3 . HN61 4.900 4.600 5.600 6.152 5.923 6.302 0.702 3 11 "[**+-.*** 1*** * ]" 1
834 4 5 . HN1 4 6 DT H6 5.500 4.500 6.500 5.633 5.521 5.737 . 0 0 "[ . 1 . ]" 1
835 3 5 . HN1 4 5 . H1' 3.100 2.800 3.800 3.774 3.731 3.811 0.011 15 0 "[ . 1 . ]" 1
836 3 4 . HN1 4 4 . H1' 3.500 3.200 4.200 4.052 3.888 4.218 0.018 5 0 "[ . 1 . ]" 1
837 3 4 . HN1 4 4 . H2'' 5.500 4.500 6.500 5.878 5.820 6.011 . 0 0 "[ . 1 . ]" 1
838 3 3 . HN1 4 3 . H1' 3.100 2.800 3.800 3.995 3.979 4.039 0.239 5 0 "[ . 1 . ]" 1
839 3 3 . HN1 4 3 . H2'' 5.500 4.500 6.500 5.958 5.897 6.002 . 0 0 "[ . 1 . ]" 1
840 3 5 . HN1 4 5 . H2'' 5.500 4.500 6.500 6.011 5.966 6.062 . 0 0 "[ . 1 . ]" 1
841 3 5 . HN1 4 5 . H4' 5.000 4.000 6.000 5.281 5.169 5.386 . 0 0 "[ . 1 . ]" 1
842 4 5 . HN1 4 6 DT Q5' 3.700 3.000 4.700 8.038 7.922 8.177 3.477 16 16 [****-**********+] 1
843 4 5 . HN61 4 6 DT Q5' 3.700 3.000 4.700 7.757 7.705 7.821 3.121 16 16 [***********-***+] 1
844 4 1 DT Q5' 4 2 . HN1 3.600 2.900 4.600 4.134 4.101 4.156 . 0 0 "[ . 1 . ]" 1
845 4 1 DT H5'' 4 2 . HN1 3.400 2.700 4.100 4.221 4.185 4.245 0.145 8 0 "[ . 1 . ]" 1
846 3 2 . HN1 4 2 . H1' 3.200 2.900 3.900 4.035 4.025 4.047 0.147 5 0 "[ . 1 . ]" 1
847 3 2 . HN1 4 3 . H1' 5.500 4.500 6.500 5.353 5.076 5.623 . 0 0 "[ . 1 . ]" 1
848 3 2 . HN1 4 2 . H2'' 5.500 4.500 6.500 6.147 6.134 6.160 . 0 0 "[ . 1 . ]" 1
849 3 2 . HN61 4 2 . H1' 2.400 . 3.100 2.309 2.277 2.332 . 0 0 "[ . 1 . ]" 1
850 3 3 . HN61 4 3 . H1' 2.400 . 3.100 2.311 2.223 2.396 . 0 0 "[ . 1 . ]" 1
851 3 4 . HN61 4 4 . H1' 2.500 . 3.200 2.181 2.087 2.273 . 0 0 "[ . 1 . ]" 1
852 3 5 . HN61 4 5 . H1' 2.300 . 3.000 2.816 2.661 3.006 0.006 3 0 "[ . 1 . ]" 1
853 4 1 DT Q5' 4 2 . HN61 3.800 3.100 4.800 2.047 1.904 2.209 1.196 13 16 [*****-******+***] 1
854 4 1 DT Q5' 4 2 . HN62 5.600 4.900 6.600 2.938 2.851 3.014 2.049 16 16 [******-********+] 1
855 3 2 . HN61 4 2 . H2'' 3.300 2.600 4.000 3.649 3.611 3.672 . 0 0 "[ . 1 . ]" 1
856 3 3 . HN61 4 3 . H2'' 3.700 3.000 4.400 3.477 3.257 3.674 . 0 0 "[ . 1 . ]" 1
857 3 4 . HN61 4 4 . H2'' 3.200 2.500 3.900 3.818 3.683 3.972 0.072 12 0 "[ . 1 . ]" 1
858 3 5 . HN61 4 5 . H2'' 3.600 2.900 4.300 4.751 4.560 5.003 0.703 3 7 "[-*+*.*** 1 . ]" 1
859 3 2 . HN61 4 2 . H2' 5.500 5.000 6.500 4.988 4.956 5.014 0.044 14 0 "[ . 1 . ]" 1
860 3 3 . HN61 4 3 . H2' 5.500 5.000 6.500 4.921 4.810 5.033 0.190 3 0 "[ . 1 . ]" 1
861 3 4 . HN62 4 4 . H2'' 4.400 3.700 5.100 3.874 3.754 3.949 . 0 0 "[ . 1 . ]" 1
862 3 4 . HN62 4 5 . H5'' 4.300 3.600 5.000 4.589 4.487 4.748 . 0 0 "[ . 1 . ]" 1
863 4 1 DT Q5' 5 1 DT H1' 5.200 4.500 5.900 7.127 7.015 7.212 1.312 16 16 [******-********+] 1
864 5 1 DT H3' 5 1 DT Q5' 6.100 5.400 6.800 2.097 2.090 2.102 3.310 5 16 [****+**********-] 1
865 5 1 DT Q5' 5 1 DT H6 3.100 2.400 3.800 2.429 2.417 2.441 . 0 0 "[ . 1 . ]" 1
866 4 1 DT Q5' 5 2 . H4' 4.700 4.000 5.700 2.930 2.752 3.035 1.248 6 16 [***-*+**********] 1
867 5 1 DT H1' 5 1 DT H6 3.100 2.400 3.800 3.703 3.694 3.717 . 0 0 "[ . 1 . ]" 1
868 5 1 DT H1' 5 1 DT H2' 3.100 2.400 3.800 2.972 2.968 2.975 . 0 0 "[ . 1 . ]" 1
869 5 1 DT H2' 5 1 DT H2'' 2.000 . 2.300 1.823 1.821 1.824 . 0 0 "[ . 1 . ]" 1
870 5 1 DT H2' 5 1 DT H3' 2.600 . 3.300 2.327 2.322 2.335 . 0 0 "[ . 1 . ]" 1
871 5 1 DT H2' 5 1 DT H5' 4.700 4.000 5.400 4.269 4.257 4.282 . 0 0 "[ . 1 . ]" 1
872 5 1 DT H2' 5 1 DT H5'' 3.600 2.900 4.300 2.823 2.809 2.836 0.091 6 0 "[ . 1 . ]" 1
873 5 1 DT H2' 5 1 DT H6 2.600 . 3.300 2.427 2.280 2.463 . 0 0 "[ . 1 . ]" 1
874 5 1 DT H2' 5 2 . H5'' 4.000 3.300 4.700 4.455 4.112 4.566 . 0 0 "[ . 1 . ]" 1
875 5 1 DT H2' 5 2 . H8 4.000 3.300 4.700 4.482 4.390 4.592 . 0 0 "[ . 1 . ]" 1
876 5 1 DT H1' 5 1 DT H2'' 2.600 . 3.300 2.268 2.266 2.270 . 0 0 "[ . 1 . ]" 1
877 5 1 DT H2'' 5 1 DT H3' 2.900 2.200 3.600 2.775 2.772 2.777 . 0 0 "[ . 1 . ]" 1
878 5 1 DT H2'' 5 1 DT H5' 4.700 4.000 5.400 5.125 5.110 5.150 . 0 0 "[ . 1 . ]" 1
879 5 1 DT H2'' 5 1 DT H5'' 4.100 3.400 4.800 4.119 4.109 4.127 . 0 0 "[ . 1 . ]" 1
880 5 1 DT H2'' 5 1 DT H6 3.200 2.500 3.900 3.940 3.846 3.961 0.061 6 0 "[ . 1 . ]" 1
881 5 1 DT H2'' 5 2 . H4' 4.100 3.400 4.800 4.418 4.203 4.512 . 0 0 "[ . 1 . ]" 1
882 5 1 DT H2'' 5 2 . H5'' 2.900 2.200 3.600 2.820 2.452 2.941 . 0 0 "[ . 1 . ]" 1
883 5 1 DT H2'' 5 2 . H5' 4.300 3.600 5.000 4.325 4.069 4.409 . 0 0 "[ . 1 . ]" 1
884 5 1 DT H2'' 5 2 . H8 4.200 3.500 4.900 4.383 4.317 4.454 . 0 0 "[ . 1 . ]" 1
885 5 1 DT H1' 5 1 DT H3' 4.100 3.400 4.800 3.976 3.973 3.987 . 0 0 "[ . 1 . ]" 1
886 5 1 DT H3' 5 1 DT H6 3.600 2.900 4.300 3.688 3.597 3.713 . 0 0 "[ . 1 . ]" 1
887 5 1 DT H3' 5 2 . H8 3.600 2.900 4.300 3.039 2.960 3.124 . 0 0 "[ . 1 . ]" 1
888 4 2 . H8 5 3 . H4' 3.600 2.900 4.300 3.188 3.055 3.344 . 0 0 "[ . 1 . ]" 1
889 5 1 DT H1' 5 1 DT H4' 3.600 2.900 4.300 3.543 3.531 3.576 . 0 0 "[ . 1 . ]" 1
890 5 1 DT H4' 5 1 DT H6 4.700 4.000 5.400 4.104 4.087 4.154 . 0 0 "[ . 1 . ]" 1
891 5 1 DT H1' 5 1 DT H5' 4.300 3.600 5.000 5.084 5.079 5.087 0.087 14 0 "[ . 1 . ]" 1
892 5 1 DT H1' 5 2 . H5'' 4.100 3.400 4.800 4.392 4.043 4.511 . 0 0 "[ . 1 . ]" 1
893 5 1 DT H3' 5 1 DT H5' 3.000 2.300 3.700 2.978 2.946 3.043 . 0 0 "[ . 1 . ]" 1
894 5 1 DT H5' 5 1 DT H6 4.500 3.800 5.200 3.719 3.704 3.727 0.096 7 0 "[ . 1 . ]" 1
895 5 1 DT H1' 5 1 DT H5'' 4.300 3.600 5.000 4.529 4.516 4.548 . 0 0 "[ . 1 . ]" 1
896 5 1 DT H3' 5 1 DT H5'' 2.700 . 3.400 2.142 2.130 2.150 . 0 0 "[ . 1 . ]" 1
897 5 1 DT H5'' 5 1 DT H6 3.200 2.500 3.900 2.462 2.449 2.476 0.051 15 0 "[ . 1 . ]" 1
898 5 1 DT H5'' 5 2 . H8 5.200 4.500 5.900 4.825 4.746 4.919 . 0 0 "[ . 1 . ]" 1
899 5 2 . H1' 5 2 . H3' 4.300 3.600 5.000 4.055 4.043 4.064 . 0 0 "[ . 1 . ]" 1
900 5 2 . H1' 5 2 . H8 3.900 3.200 4.600 3.838 3.831 3.845 . 0 0 "[ . 1 . ]" 1
901 5 2 . H1' 5 3 . H8 3.900 3.200 4.600 4.072 3.945 4.192 . 0 0 "[ . 1 . ]" 1
902 5 2 . H1' 5 2 . H2' 3.000 2.300 3.700 2.942 2.932 2.956 . 0 0 "[ . 1 . ]" 1
903 5 2 . H2' 5 2 . H3' 2.500 . 3.200 2.280 2.274 2.286 . 0 0 "[ . 1 . ]" 1
904 5 2 . H2' 5 2 . H4' 4.500 3.800 5.200 3.996 3.973 4.013 . 0 0 "[ . 1 . ]" 1
905 5 2 . H2' 5 2 . H5'' 4.300 3.600 5.000 4.413 4.296 4.475 . 0 0 "[ . 1 . ]" 1
906 5 2 . H2' 5 2 . H5' 4.000 3.300 4.700 3.650 3.528 3.718 . 0 0 "[ . 1 . ]" 1
907 5 2 . H2' 5 2 . H8 2.500 . 3.200 2.053 2.034 2.064 . 0 0 "[ . 1 . ]" 1
908 5 2 . H2' 5 3 . H8 4.000 3.300 4.700 3.942 3.701 4.133 . 0 0 "[ . 1 . ]" 1
909 5 2 . H1' 5 2 . H2'' 2.700 . 3.400 2.256 2.252 2.259 . 0 0 "[ . 1 . ]" 1
910 5 2 . H2' 5 2 . H2'' 2.000 . 2.300 1.821 1.820 1.823 . 0 0 "[ . 1 . ]" 1
911 5 2 . H2'' 5 2 . H3' 2.800 2.100 3.500 2.823 2.803 2.836 . 0 0 "[ . 1 . ]" 1
912 5 2 . H2'' 5 2 . H4' 4.300 3.600 5.000 3.914 3.887 3.952 . 0 0 "[ . 1 . ]" 1
913 5 2 . H2'' 5 2 . H8 3.000 2.300 3.700 3.721 3.684 3.741 0.041 9 0 "[ . 1 . ]" 1
914 5 2 . H2'' 5 3 . H8 3.000 2.300 3.700 2.594 2.459 2.731 . 0 0 "[ . 1 . ]" 1
915 5 2 . H3' 5 2 . H8 4.100 3.400 4.800 3.585 3.493 3.709 . 0 0 "[ . 1 . ]" 1
916 5 2 . H3' 5 3 . H8 4.700 4.000 5.400 5.091 4.981 5.231 . 0 0 "[ . 1 . ]" 1
917 5 2 . H1' 5 2 . H4' 3.800 3.100 4.500 3.714 3.706 3.725 . 0 0 "[ . 1 . ]" 1
918 5 2 . H3' 5 2 . H4' 2.900 2.200 3.600 2.755 2.736 2.769 . 0 0 "[ . 1 . ]" 1
919 5 2 . H4' 5 2 . H8 5.000 4.300 5.700 4.823 4.789 4.901 . 0 0 "[ . 1 . ]" 1
920 5 2 . H4' 5 3 . H5'' 3.400 3.200 4.100 3.832 3.708 3.951 . 0 0 "[ . 1 . ]" 1
921 5 2 . H4' 5 3 . H5' 4.500 3.800 5.200 5.196 5.096 5.216 0.016 7 0 "[ . 1 . ]" 1
922 5 2 . H3' 5 2 . H5'' 3.000 2.300 3.700 3.516 3.509 3.542 . 0 0 "[ . 1 . ]" 1
923 5 2 . H4' 5 2 . H5'' 2.700 . 3.400 2.373 2.357 2.413 . 0 0 "[ . 1 . ]" 1
924 5 2 . H5' 5 2 . H5'' 2.000 . 2.300 1.779 1.777 1.780 0.023 5 0 "[ . 1 . ]" 1
925 5 2 . H5'' 5 2 . H8 4.900 4.200 5.600 4.183 4.162 4.197 0.038 7 0 "[ . 1 . ]" 1
926 5 2 . H3' 5 2 . H5' 2.800 2.100 3.500 2.189 2.170 2.251 . 0 0 "[ . 1 . ]" 1
927 5 2 . H4' 5 2 . H5' 2.700 . 3.400 2.563 2.518 2.587 . 0 0 "[ . 1 . ]" 1
928 5 2 . H5' 5 2 . H8 4.500 3.800 5.200 3.819 3.779 3.979 0.021 5 0 "[ . 1 . ]" 1
929 5 3 . H1' 5 3 . H3' 3.800 3.100 4.500 3.962 3.941 3.980 . 0 0 "[ . 1 . ]" 1
930 5 3 . H1' 5 3 . H2' 2.900 2.200 3.600 3.014 3.005 3.022 . 0 0 "[ . 1 . ]" 1
931 5 3 . H2' 5 3 . H3' 2.600 . 3.300 2.289 2.283 2.296 . 0 0 "[ . 1 . ]" 1
932 5 3 . H2' 5 3 . H4' 4.500 3.800 5.200 3.934 3.918 3.951 . 0 0 "[ . 1 . ]" 1
933 5 3 . H2' 5 3 . H8 2.500 . 3.200 2.085 2.071 2.102 . 0 0 "[ . 1 . ]" 1
934 5 3 . H2' 5 4 . H8 4.200 3.500 4.900 3.792 3.635 4.066 . 0 0 "[ . 1 . ]" 1
935 5 3 . H1' 5 3 . H2'' 2.600 . 3.300 2.293 2.286 2.299 . 0 0 "[ . 1 . ]" 1
936 5 3 . H2' 5 3 . H2'' 1.900 . 2.200 1.828 1.827 1.830 . 0 0 "[ . 1 . ]" 1
937 5 3 . H2'' 5 3 . H3' 2.800 2.100 3.500 2.784 2.771 2.799 . 0 0 "[ . 1 . ]" 1
938 5 3 . H2'' 5 3 . H4' 4.700 4.000 5.400 3.943 3.916 3.960 0.084 4 0 "[ . 1 . ]" 1
939 5 3 . H2'' 5 3 . H8 3.100 2.400 3.800 3.648 3.622 3.695 . 0 0 "[ . 1 . ]" 1
940 5 3 . H2'' 5 4 . H8 3.100 2.400 3.800 2.496 2.389 2.720 0.011 12 0 "[ . 1 . ]" 1
941 5 3 . H3' 5 3 . H8 4.000 3.300 4.700 3.964 3.890 4.033 . 0 0 "[ . 1 . ]" 1
942 5 3 . H1' 5 3 . H4' 3.600 2.900 4.300 3.456 3.425 3.487 . 0 0 "[ . 1 . ]" 1
943 5 3 . H3' 5 3 . H4' 2.900 2.200 3.600 2.781 2.769 2.798 . 0 0 "[ . 1 . ]" 1
944 5 3 . H4' 5 3 . H8 5.100 4.400 5.800 5.019 4.981 5.042 . 0 0 "[ . 1 . ]" 1
945 5 3 . H4' 5 4 . H5'' 5.200 4.500 5.400 4.812 4.567 4.985 . 0 0 "[ . 1 . ]" 1
946 5 3 . H3' 5 3 . H5'' 3.000 2.300 3.700 3.546 3.540 3.551 . 0 0 "[ . 1 . ]" 1
947 5 3 . H4' 5 3 . H5'' 2.800 2.100 3.500 2.444 2.421 2.465 . 0 0 "[ . 1 . ]" 1
948 5 3 . H5'' 5 3 . H8 5.100 4.400 5.800 4.416 4.375 4.520 0.025 6 0 "[ . 1 . ]" 1
949 4 2 . H8 5 3 . H5'' 4.900 4.200 5.600 5.266 5.039 5.437 . 0 0 "[ . 1 . ]" 1
950 5 3 . H3' 5 3 . H5' 2.900 2.200 3.600 2.341 2.300 2.392 . 0 0 "[ . 1 . ]" 1
951 5 3 . H4' 5 3 . H5' 2.700 . 3.400 2.461 2.438 2.485 . 0 0 "[ . 1 . ]" 1
952 5 3 . H5' 5 3 . H5'' 1.900 . 2.200 1.776 1.775 1.778 0.025 6 0 "[ . 1 . ]" 1
953 5 3 . H5' 5 3 . H8 4.300 4.200 4.600 4.605 4.538 4.626 0.026 12 0 "[ . 1 . ]" 1
954 4 2 . H8 5 3 . H5' 5.300 5.200 5.600 5.450 5.268 5.599 . 0 0 "[ . 1 . ]" 1
955 5 4 . H1' 5 4 . H3' 4.500 3.800 5.200 3.930 3.908 3.962 . 0 0 "[ . 1 . ]" 1
956 5 4 . H1' 5 4 . H8 4.700 4.000 5.400 3.896 3.889 3.900 0.111 2 0 "[ . 1 . ]" 1
957 5 4 . H1' 5 5 . H8 4.700 4.000 5.400 4.801 4.558 4.965 . 0 0 "[ . 1 . ]" 1
958 4 3 . H8 5 4 . H1' 5.400 4.700 6.100 5.653 5.365 5.950 . 0 0 "[ . 1 . ]" 1
959 5 4 . H1' 5 4 . H2' 3.400 2.700 4.100 2.992 2.975 3.003 . 0 0 "[ . 1 . ]" 1
960 5 4 . H2' 5 4 . H2'' 1.900 . 2.200 1.824 1.822 1.825 . 0 0 "[ . 1 . ]" 1
961 5 4 . H2' 5 4 . H3' 2.700 . 3.400 2.290 2.283 2.298 . 0 0 "[ . 1 . ]" 1
962 5 4 . H2' 5 4 . H4' 4.500 3.800 5.200 3.944 3.928 3.963 . 0 0 "[ . 1 . ]" 1
963 5 4 . H2' 5 4 . H8 2.600 . 3.300 2.252 2.191 2.323 . 0 0 "[ . 1 . ]" 1
964 5 4 . H2' 5 5 . H5'' 4.700 4.000 5.400 4.731 4.544 4.933 . 0 0 "[ . 1 . ]" 1
965 5 4 . H2' 5 5 . H8 3.500 2.800 4.200 3.306 3.009 3.525 . 0 0 "[ . 1 . ]" 1
966 5 4 . H1' 5 4 . H2'' 2.600 . 3.300 2.281 2.268 2.292 . 0 0 "[ . 1 . ]" 1
967 5 4 . H2'' 5 4 . H3' 2.800 2.100 3.500 2.817 2.802 2.837 . 0 0 "[ . 1 . ]" 1
968 5 4 . H2'' 5 4 . H4' 4.200 3.500 4.900 3.793 3.716 3.843 . 0 0 "[ . 1 . ]" 1
969 5 4 . H2'' 5 4 . H8 3.200 2.500 3.900 3.838 3.770 3.908 0.008 16 0 "[ . 1 . ]" 1
970 5 4 . H2'' 5 5 . H5'' 3.200 2.500 3.900 3.022 2.811 3.248 . 0 0 "[ . 1 . ]" 1
971 5 4 . H2'' 5 5 . H8 3.200 2.500 3.900 3.060 2.745 3.218 . 0 0 "[ . 1 . ]" 1
972 5 4 . H3' 5 4 . H8 3.900 3.200 4.600 3.907 3.774 4.008 . 0 0 "[ . 1 . ]" 1
973 5 4 . H1' 5 4 . H4' 3.400 2.700 4.100 3.199 3.074 3.350 . 0 0 "[ . 1 . ]" 1
974 5 4 . H4' 5 4 . H5'' 2.400 . 3.100 2.364 2.347 2.397 . 0 0 "[ . 1 . ]" 1
975 5 4 . H4' 5 4 . H5' 2.300 . 3.000 2.547 2.512 2.568 . 0 0 "[ . 1 . ]" 1
976 4 3 . H8 5 4 . H4' 4.100 3.400 4.800 3.779 3.573 4.013 . 0 0 "[ . 1 . ]" 1
977 5 3 . H1' 5 3 . H8 4.100 3.400 4.800 3.865 3.860 3.872 . 0 0 "[ . 1 . ]" 1
978 5 4 . H3' 5 4 . H5'' 3.800 3.100 4.500 3.521 3.508 3.539 . 0 0 "[ . 1 . ]" 1
979 5 4 . H5'' 5 4 . H8 4.800 4.100 5.500 4.697 4.520 4.842 . 0 0 "[ . 1 . ]" 1
980 4 2 . H8 5 4 . H5'' 4.900 4.200 5.600 4.200 4.171 4.264 0.029 8 0 "[ . 1 . ]" 1
981 4 3 . H8 5 4 . H5'' 5.300 4.600 6.000 4.750 4.591 5.005 0.009 9 0 "[ . 1 . ]" 1
982 5 4 . H3' 5 4 . H5' 2.700 . 3.400 2.240 2.195 2.319 . 0 0 "[ . 1 . ]" 1
983 5 4 . H5' 5 4 . H5'' 1.900 . 2.200 1.777 1.775 1.778 0.025 2 0 "[ . 1 . ]" 1
984 5 5 . H1' 5 5 . H8 4.000 3.300 4.700 3.818 3.807 3.828 . 0 0 "[ . 1 . ]" 1
985 5 5 . H1' 5 6 DT H6 4.500 3.800 5.200 3.849 3.789 3.926 0.011 14 0 "[ . 1 . ]" 1
986 5 5 . H1' 5 5 . H2' 2.900 2.200 3.600 3.027 3.022 3.030 . 0 0 "[ . 1 . ]" 1
987 5 5 . H2' 5 5 . H3' 2.500 . 3.200 2.251 2.246 2.258 . 0 0 "[ . 1 . ]" 1
988 5 5 . H2' 5 5 . H4' 3.700 3.000 4.400 3.879 3.874 3.884 . 0 0 "[ . 1 . ]" 1
989 5 5 . H2' 5 5 . H8 2.300 . 3.000 2.012 1.992 2.031 . 0 0 "[ . 1 . ]" 1
990 5 5 . H2' 5 6 DT H6 4.900 4.200 5.600 4.125 4.105 4.142 0.095 16 0 "[ . 1 . ]" 1
991 5 5 . H1' 5 5 . H2'' 2.400 . 3.100 2.315 2.304 2.325 . 0 0 "[ . 1 . ]" 1
992 5 5 . H2' 5 5 . H2'' 1.900 . 2.200 1.816 1.814 1.819 . 0 0 "[ . 1 . ]" 1
993 5 5 . H2'' 5 5 . H3' 2.600 . 3.300 2.816 2.811 2.820 . 0 0 "[ . 1 . ]" 1
994 5 5 . H2'' 5 5 . H4' 4.000 3.300 4.700 3.686 3.677 3.701 . 0 0 "[ . 1 . ]" 1
995 5 5 . H2'' 5 5 . H8 2.800 2.100 3.500 3.367 3.311 3.423 . 0 0 "[ . 1 . ]" 1
996 5 5 . H2'' 5 6 DT H6 3.600 2.900 4.300 3.098 3.078 3.122 . 0 0 "[ . 1 . ]" 1
997 5 5 . H1' 5 5 . H3' 3.600 2.900 4.300 3.811 3.804 3.819 . 0 0 "[ . 1 . ]" 1
998 5 5 . H3' 5 5 . H8 3.300 2.600 4.000 4.072 4.053 4.090 0.090 14 0 "[ . 1 . ]" 1
999 5 5 . H3' 5 6 DT H6 6.100 5.400 6.800 5.856 5.831 5.878 . 0 0 "[ . 1 . ]" 1
1000 5 5 . H1' 5 5 . H4' 3.300 2.600 4.000 2.780 2.751 2.803 . 0 0 "[ . 1 . ]" 1
1001 5 5 . H3' 5 5 . H4' 2.800 2.100 3.500 2.917 2.912 2.921 . 0 0 "[ . 1 . ]" 1
1002 5 5 . H4' 5 5 . H5'' 2.400 . 3.100 2.610 2.608 2.612 . 0 0 "[ . 1 . ]" 1
1003 5 5 . H4' 5 5 . H8 5.200 4.500 5.900 5.224 5.196 5.254 . 0 0 "[ . 1 . ]" 1
1004 5 3 . H1' 5 4 . H8 4.000 3.300 4.700 4.237 4.121 4.339 . 0 0 "[ . 1 . ]" 1
1005 5 4 . H1' 5 5 . H5'' 4.300 3.600 5.000 3.873 3.747 4.027 . 0 0 "[ . 1 . ]" 1
1006 5 5 . H1' 5 5 . H5'' 4.700 4.000 5.400 4.433 4.422 4.445 . 0 0 "[ . 1 . ]" 1
1007 5 5 . H3' 5 5 . H5'' 2.600 . 3.300 3.455 3.450 3.460 0.160 9 0 "[ . 1 . ]" 1
1008 5 5 . H5'' 5 5 . H8 4.500 3.800 5.200 5.114 5.039 5.204 0.004 11 0 "[ . 1 . ]" 1
1009 5 5 . H8 5 6 DT Q5' 5.500 4.800 6.200 5.230 5.134 5.350 . 0 0 "[ . 1 . ]" 1
1010 5 6 DT H1' 5 6 DT Q5' 5.500 5.000 6.500 4.134 4.124 4.146 0.876 1 16 [+*******-*******] 1
1011 5 6 DT H3' 5 6 DT Q5' 6.000 5.300 6.700 2.091 2.087 2.095 3.213 4 16 [***+******-*****] 1
1012 5 6 DT Q5' 5 6 DT H6 3.000 2.300 3.700 2.951 2.909 2.985 . 0 0 "[ . 1 . ]" 1
1013 5 5 . H8 5 6 DT H1' 4.900 4.200 5.600 5.769 5.763 5.779 0.179 15 0 "[ . 1 . ]" 1
1014 5 6 DT H1' 5 6 DT H6 3.300 2.600 4.000 3.579 3.557 3.598 . 0 0 "[ . 1 . ]" 1
1015 5 6 DT H1' 5 6 DT H2' 2.400 . 3.100 3.006 3.001 3.011 . 0 0 "[ . 1 . ]" 1
1016 5 6 DT H2' 5 6 DT H3' 2.400 . 3.100 2.256 2.252 2.260 . 0 0 "[ . 1 . ]" 1
1017 5 6 DT H2' 5 6 DT H5'' 4.100 3.400 4.800 3.656 3.635 3.678 . 0 0 "[ . 1 . ]" 1
1018 5 6 DT H2' 5 6 DT H5' 3.200 2.500 3.900 4.058 4.048 4.067 0.167 14 0 "[ . 1 . ]" 1
1019 5 6 DT H2' 5 6 DT H6 2.600 . 3.300 3.192 3.129 3.261 . 0 0 "[ . 1 . ]" 1
1020 5 6 DT H1' 5 6 DT H3' 4.700 4.000 5.400 3.909 3.898 3.922 0.102 1 0 "[ . 1 . ]" 1
1021 5 6 DT H3' 5 6 DT H5'' 3.200 2.500 3.800 2.739 2.717 2.758 . 0 0 "[ . 1 . ]" 1
1022 5 6 DT H3' 5 6 DT H6 3.400 2.700 4.100 4.198 4.186 4.210 0.110 16 0 "[ . 1 . ]" 1
1023 5 5 . H8 5 6 DT H4' 5.100 4.400 5.800 5.886 5.871 5.897 0.097 5 0 "[ . 1 . ]" 1
1024 5 6 DT H1' 5 6 DT H4' 3.200 2.500 3.900 2.948 2.916 2.993 . 0 0 "[ . 1 . ]" 1
1025 5 6 DT H2' 5 6 DT H4' 3.200 2.500 3.900 3.910 3.904 3.919 0.019 9 0 "[ . 1 . ]" 1
1026 5 5 . H1' 5 6 DT H5'' 5.500 4.800 6.200 4.700 4.672 4.739 0.128 9 0 "[ . 1 . ]" 1
1027 5 5 . H8 5 6 DT H5'' 6.000 5.300 6.700 5.435 5.328 5.573 . 0 0 "[ . 1 . ]" 1
1028 5 6 DT H1' 5 6 DT H5'' 5.300 4.600 6.000 4.467 4.458 4.476 0.142 7 0 "[ . 1 . ]" 1
1029 5 6 DT H5'' 5 6 DT H6 3.600 2.900 4.300 2.990 2.945 3.027 . 0 0 "[ . 1 . ]" 1
1030 5 5 . H1' 5 6 DT H5' 5.500 4.800 6.200 5.400 5.337 5.456 . 0 0 "[ . 1 . ]" 1
1031 5 5 . H3' 5 6 DT H5' 4.900 4.200 5.600 5.242 5.212 5.261 . 0 0 "[ . 1 . ]" 1
1032 5 5 . H4' 5 6 DT H5' 6.000 5.300 6.700 6.180 6.141 6.237 . 0 0 "[ . 1 . ]" 1
1033 5 6 DT H3' 5 6 DT H5' 2.600 . 3.300 2.169 2.162 2.178 . 0 0 "[ . 1 . ]" 1
1034 5 6 DT H5' 5 6 DT H5'' 1.900 . 2.200 1.773 1.772 1.774 0.028 11 0 "[ . 1 . ]" 1
1035 5 6 DT H5' 5 6 DT H6 4.000 3.300 4.700 4.533 4.501 4.556 . 0 0 "[ . 1 . ]" 1
1036 4 1 DT H5'' 5 2 . H4' 4.600 3.900 5.300 3.925 3.852 4.016 0.048 6 0 "[ . 1 . ]" 1
1037 5 4 . HN1 5 5 . HN62 5.500 4.500 6.500 4.654 4.488 4.868 0.012 12 0 "[ . 1 . ]" 1
1038 5 4 . HN1 5 5 . HN61 4.500 4.200 5.200 5.080 4.849 5.304 0.104 4 0 "[ . 1 . ]" 1
1039 5 3 . HN62 5 4 . HN1 5.500 4.500 6.500 5.245 5.229 5.265 . 0 0 "[ . 1 . ]" 1
1040 5 3 . HN61 5 4 . HN1 4.500 4.200 5.200 5.728 5.630 5.846 0.646 4 9 "[* *+.**- 1 ***]" 1
1041 5 3 . HN1 5 4 . HN62 5.500 4.500 6.500 4.800 4.592 4.955 . 0 0 "[ . 1 . ]" 1
1042 5 3 . HN1 5 4 . HN61 4.500 4.200 5.200 5.591 5.383 5.769 0.569 7 2 "[ . + 1- . ]" 1
1043 5 2 . HN62 5 3 . HN1 5.500 4.500 6.500 5.252 5.233 5.275 . 0 0 "[ . 1 . ]" 1
1044 5 2 . HN61 5 3 . HN1 4.500 4.200 5.200 5.654 5.583 5.730 0.530 6 2 "[ .+ 1 - ]" 1
1045 5 4 . HN62 5 5 . HN1 5.500 4.500 6.500 5.256 5.240 5.272 . 0 0 "[ . 1 . ]" 1
1046 5 4 . HN61 5 5 . HN1 4.500 4.200 5.200 6.039 5.889 6.199 0.999 12 16 [******-****+****] 1
1047 5 2 . HN1 5 3 . HN62 5.500 4.500 6.500 5.082 4.849 5.225 . 0 0 "[ . 1 . ]" 1
1048 5 2 . HN1 5 3 . HN61 4.900 4.600 5.600 6.139 5.896 6.275 0.675 9 11 "[-**** +**** .*]" 1
1049 5 5 . HN1 5 6 DT H6 5.500 4.500 6.500 5.561 5.476 5.646 . 0 0 "[ . 1 . ]" 1
1050 4 5 . HN1 5 5 . H1' 3.100 2.800 3.800 3.799 3.763 3.834 0.034 10 0 "[ . 1 . ]" 1
1051 4 4 . HN1 5 4 . H1' 3.500 3.200 4.200 4.076 3.974 4.204 0.004 1 0 "[ . 1 . ]" 1
1052 4 4 . HN1 5 4 . H2'' 5.500 4.500 6.500 5.911 5.783 5.997 . 0 0 "[ . 1 . ]" 1
1053 4 3 . HN1 5 3 . H1' 3.100 2.800 3.800 3.995 3.978 4.017 0.217 8 0 "[ . 1 . ]" 1
1054 4 3 . HN1 5 3 . H2'' 5.500 4.500 6.500 5.940 5.901 5.969 . 0 0 "[ . 1 . ]" 1
1055 4 5 . HN1 5 5 . H2'' 5.500 4.500 6.500 6.025 5.968 6.075 . 0 0 "[ . 1 . ]" 1
1056 4 5 . HN1 5 5 . H4' 5.000 4.000 6.000 5.343 5.241 5.429 . 0 0 "[ . 1 . ]" 1
1057 5 5 . HN1 5 6 DT Q5' 3.700 3.000 4.700 7.948 7.834 8.051 3.351 6 16 [*****+**-*******] 1
1058 5 5 . HN61 5 6 DT Q5' 3.700 3.000 4.700 7.730 7.686 7.770 3.070 15 16 [********-*****+*] 1
1059 5 1 DT Q5' 5 2 . HN1 3.600 2.900 4.600 4.137 4.117 4.149 . 0 0 "[ . 1 . ]" 1
1060 5 1 DT H5'' 5 2 . HN1 3.400 2.700 4.100 4.224 4.202 4.238 0.138 15 0 "[ . 1 . ]" 1
1061 4 2 . HN1 5 2 . H1' 3.200 2.900 3.900 4.037 4.025 4.057 0.157 4 0 "[ . 1 . ]" 1
1062 4 2 . HN1 5 3 . H1' 5.500 4.500 6.500 5.285 5.191 5.430 . 0 0 "[ . 1 . ]" 1
1063 4 2 . HN1 5 2 . H2'' 5.500 4.500 6.500 6.152 6.140 6.171 . 0 0 "[ . 1 . ]" 1
1064 4 2 . HN61 5 2 . H1' 2.400 . 3.100 2.311 2.288 2.334 . 0 0 "[ . 1 . ]" 1
1065 4 3 . HN61 5 3 . H1' 2.400 . 3.100 2.357 2.277 2.444 . 0 0 "[ . 1 . ]" 1
1066 4 4 . HN61 5 4 . H1' 2.500 . 3.200 2.164 2.095 2.243 . 0 0 "[ . 1 . ]" 1
1067 4 5 . HN61 5 5 . H1' 2.300 . 3.000 2.858 2.741 3.015 0.015 5 0 "[ . 1 . ]" 1
1068 5 1 DT Q5' 5 2 . HN61 3.800 3.100 4.800 2.077 1.903 2.160 1.197 9 16 [********+*****-*] 1
1069 5 1 DT Q5' 5 2 . HN62 5.600 4.900 6.600 2.955 2.860 3.021 2.040 9 16 [********+*****-*] 1
1070 4 2 . HN61 5 2 . H2'' 3.300 2.600 4.000 3.642 3.606 3.679 . 0 0 "[ . 1 . ]" 1
1071 4 3 . HN61 5 3 . H2'' 3.700 3.000 4.400 3.444 3.346 3.569 . 0 0 "[ . 1 . ]" 1
1072 4 4 . HN61 5 4 . H2'' 3.200 2.500 3.900 3.782 3.681 3.885 . 0 0 "[ . 1 . ]" 1
1073 4 5 . HN61 5 5 . H2'' 3.600 2.900 4.300 4.841 4.733 5.005 0.705 5 10 "[****+*** 1*- . ]" 1
1074 4 2 . HN61 5 2 . H2' 5.500 5.000 6.500 4.986 4.958 5.018 0.042 16 0 "[ . 1 . ]" 1
1075 4 3 . HN61 5 3 . H2' 5.500 5.000 6.500 4.927 4.846 5.020 0.154 5 0 "[ . 1 . ]" 1
1076 4 4 . HN62 5 4 . H2'' 4.400 3.700 5.100 3.843 3.730 3.926 . 0 0 "[ . 1 . ]" 1
1077 4 4 . HN62 5 5 . H5'' 4.300 3.600 5.000 4.621 4.517 4.742 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 80
_Distance_constraint_stats_list.Viol_count 699
_Distance_constraint_stats_list.Viol_total 8689.307
_Distance_constraint_stats_list.Viol_max 1.822
_Distance_constraint_stats_list.Viol_rms 0.7150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4243
_Distance_constraint_stats_list.Viol_average_violations_only 0.7769
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 . 57.222 1.730 8 16 [*******+***-****]
1 3 . 54.250 1.725 14 16 [**-**********+**]
1 4 . 45.889 1.654 12 16 [******-****+****]
1 5 . 59.914 1.822 12 16 [***********+-***]
2 2 . 57.167 1.730 3 16 [**+****-********]
2 3 . 54.195 1.725 14 16 [**-**********+**]
2 4 . 45.725 1.654 12 16 [**********-+****]
2 5 . 58.965 1.810 5 16 [****+*******-***]
3 2 . 57.236 1.736 10 16 [**-******+******]
3 3 . 54.507 1.722 14 16 [-************+**]
3 4 . 45.753 1.677 11 16 [**********+*****]
3 5 . 58.974 1.810 5 16 [****+******-****]
4 2 . 57.273 1.736 10 16 [**-******+******]
4 3 . 54.762 1.722 15 16 [-*************+*]
4 4 . 46.868 1.677 11 16 [****-*****+*****]
4 5 . 59.823 1.811 6 16 [*****+*****-****]
5 2 . 57.168 1.730 8 16 [*******+****-***]
5 3 . 54.592 1.722 15 16 [**************+*]
5 4 . 45.523 1.575 11 16 [******-***+*****]
5 5 . 60.358 1.822 12 16 [******-****+****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 . HN1 2 2 . O2 1.800 . 2.000 2.038 2.020 2.050 0.050 10 0 "[ . 1 . ]" 2
2 1 2 . N1 2 2 . O2 2.700 2.400 3.000 3.010 2.985 3.026 0.026 10 0 "[ . 1 . ]" 2
3 1 2 . HN61 2 2 . N3 2.000 . 2.200 3.917 3.904 3.930 1.730 3 16 [**+********-****] 2
4 1 2 . N6 2 2 . N3 2.900 2.600 3.200 3.222 3.214 3.236 0.036 3 0 "[ . 1 . ]" 2
5 2 2 . HN1 3 2 . O2 1.800 . 2.000 2.036 2.026 2.047 0.047 13 0 "[ . 1 . ]" 2
6 2 2 . N1 3 2 . O2 2.700 2.400 3.000 3.009 2.993 3.021 0.021 5 0 "[ . 1 . ]" 2
7 2 2 . HN61 3 2 . N3 2.000 . 2.200 3.916 3.901 3.929 1.729 6 16 [*****+*-********] 2
8 2 2 . N6 3 2 . N3 2.900 2.600 3.200 3.222 3.211 3.232 0.032 1 0 "[ . 1 . ]" 2
9 3 2 . HN1 4 2 . O2 1.800 . 2.000 2.039 2.030 2.045 0.045 12 0 "[ . 1 . ]" 2
10 3 2 . N1 4 2 . O2 2.700 2.400 3.000 3.013 3.000 3.019 0.019 12 0 "[ . 1 . ]" 2
11 3 2 . HN61 4 2 . N3 2.000 . 2.200 3.919 3.899 3.936 1.736 10 16 [**-******+******] 2
12 3 2 . N6 4 2 . N3 2.900 2.600 3.200 3.223 3.206 3.236 0.036 10 0 "[ . 1 . ]" 2
13 4 2 . HN1 5 2 . O2 1.800 . 2.000 2.035 2.012 2.044 0.044 4 0 "[ . 1 . ]" 2
14 4 2 . N1 5 2 . O2 2.700 2.400 3.000 3.007 2.982 3.016 0.016 4 0 "[ . 1 . ]" 2
15 4 2 . HN61 5 2 . N3 2.000 . 2.200 3.920 3.908 3.928 1.728 2 16 [*+********-*****] 2
16 4 2 . N6 5 2 . N3 2.900 2.600 3.200 3.223 3.212 3.227 0.027 2 0 "[ . 1 . ]" 2
17 1 2 . O2 5 2 . HN1 1.800 . 2.000 2.036 2.020 2.045 0.045 2 0 "[ . 1 . ]" 2
18 1 2 . O2 5 2 . N1 2.700 2.400 3.000 3.009 2.988 3.023 0.023 2 0 "[ . 1 . ]" 2
19 1 2 . N3 5 2 . HN61 2.000 . 2.200 3.919 3.905 3.930 1.730 8 16 [*******+****-***] 2
20 1 2 . N3 5 2 . N6 2.900 2.600 3.200 3.224 3.206 3.233 0.033 7 0 "[ . 1 . ]" 2
21 1 3 . HN1 2 3 . O2 1.800 . 2.000 1.963 1.842 2.021 0.021 8 0 "[ . 1 . ]" 2
22 1 3 . N1 2 3 . O2 2.700 2.400 3.000 2.904 2.769 2.979 . 0 0 "[ . 1 . ]" 2
23 1 3 . HN61 2 3 . N3 2.000 . 2.200 3.885 3.843 3.925 1.725 14 16 [**-**********+**] 2
24 1 3 . N6 2 3 . N3 2.900 2.600 3.200 3.187 3.146 3.216 0.016 14 0 "[ . 1 . ]" 2
25 2 3 . HN1 3 3 . O2 1.800 . 2.000 1.971 1.856 2.025 0.025 14 0 "[ . 1 . ]" 2
26 2 3 . N1 3 3 . O2 2.700 2.400 3.000 2.913 2.807 2.999 . 0 0 "[ . 1 . ]" 2
27 2 3 . HN61 3 3 . N3 2.000 . 2.200 3.891 3.857 3.920 1.720 5 16 [-***+***********] 2
28 2 3 . N6 3 3 . N3 2.900 2.600 3.200 3.191 3.160 3.216 0.016 10 0 "[ . 1 . ]" 2
29 3 3 . HN1 4 3 . O2 1.800 . 2.000 1.995 1.933 2.035 0.035 15 0 "[ . 1 . ]" 2
30 3 3 . N1 4 3 . O2 2.700 2.400 3.000 2.949 2.882 2.998 . 0 0 "[ . 1 . ]" 2
31 3 3 . HN61 4 3 . N3 2.000 . 2.200 3.898 3.879 3.922 1.722 14 16 [**-**********+**] 2
32 3 3 . N6 4 3 . N3 2.900 2.600 3.200 3.201 3.191 3.211 0.011 13 0 "[ . 1 . ]" 2
33 4 3 . HN1 5 3 . O2 1.800 . 2.000 1.949 1.858 2.035 0.035 10 0 "[ . 1 . ]" 2
34 4 3 . N1 5 3 . O2 2.700 2.400 3.000 2.903 2.790 3.008 0.008 10 0 "[ . 1 . ]" 2
35 4 3 . HN61 5 3 . N3 2.000 . 2.200 3.901 3.872 3.922 1.722 15 16 [-*************+*] 2
36 4 3 . N6 5 3 . N3 2.900 2.600 3.200 3.197 3.160 3.214 0.014 14 0 "[ . 1 . ]" 2
37 1 3 . O2 5 3 . HN1 1.800 . 2.000 1.956 1.873 2.033 0.033 6 0 "[ . 1 . ]" 2
38 1 3 . O2 5 3 . N1 2.700 2.400 3.000 2.913 2.816 3.009 0.009 6 0 "[ . 1 . ]" 2
39 1 3 . N3 5 3 . HN61 2.000 . 2.200 3.892 3.869 3.921 1.721 3 16 [**+***********-*] 2
40 1 3 . N3 5 3 . N6 2.900 2.600 3.200 3.192 3.167 3.217 0.017 3 0 "[ . 1 . ]" 2
41 1 4 . HN1 2 4 . O2 1.800 . 2.000 1.740 1.680 1.816 . 0 0 "[ . 1 . ]" 2
42 1 4 . N1 2 4 . O2 2.700 2.400 3.000 2.709 2.653 2.782 . 0 0 "[ . 1 . ]" 2
43 1 4 . HN61 2 4 . N3 2.000 . 2.200 3.675 3.502 3.854 1.654 12 16 [**-********+****] 2
44 1 4 . N6 2 4 . N3 2.900 2.600 3.200 2.977 2.839 3.120 . 0 0 "[ . 1 . ]" 2
45 2 4 . HN1 3 4 . O2 1.800 . 2.000 1.754 1.667 1.849 . 0 0 "[ . 1 . ]" 2
46 2 4 . N1 3 4 . O2 2.700 2.400 3.000 2.737 2.644 2.833 . 0 0 "[ . 1 . ]" 2
47 2 4 . HN61 3 4 . N3 2.000 . 2.200 3.583 3.456 3.708 1.508 3 16 [**+*******-*****] 2
48 2 4 . N6 3 4 . N3 2.900 2.600 3.200 2.907 2.806 3.010 . 0 0 "[ . 1 . ]" 2
49 3 4 . HN1 4 4 . O2 1.800 . 2.000 1.769 1.639 1.971 . 0 0 "[ . 1 . ]" 2
50 3 4 . N1 4 4 . O2 2.700 2.400 3.000 2.741 2.598 2.926 . 0 0 "[ . 1 . ]" 2
51 3 4 . HN61 4 4 . N3 2.000 . 2.200 3.677 3.470 3.877 1.677 11 16 [****-*****+*****] 2
52 3 4 . N6 4 4 . N3 2.900 2.600 3.200 2.978 2.825 3.147 . 0 0 "[ . 1 . ]" 2
53 4 4 . HN1 5 4 . O2 1.800 . 2.000 1.746 1.660 1.857 . 0 0 "[ . 1 . ]" 2
54 4 4 . N1 5 4 . O2 2.700 2.400 3.000 2.718 2.646 2.801 . 0 0 "[ . 1 . ]" 2
55 4 4 . HN61 5 4 . N3 2.000 . 2.200 3.652 3.532 3.760 1.560 14 16 [**-**********+**] 2
56 4 4 . N6 5 4 . N3 2.900 2.600 3.200 2.956 2.867 3.036 . 0 0 "[ . 1 . ]" 2
57 1 4 . O2 5 4 . HN1 1.800 . 2.000 1.762 1.657 1.942 . 0 0 "[ . 1 . ]" 2
58 1 4 . O2 5 4 . N1 2.700 2.400 3.000 2.745 2.642 2.915 . 0 0 "[ . 1 . ]" 2
59 1 4 . N3 5 4 . HN61 2.000 . 2.200 3.593 3.494 3.775 1.575 11 16 [******-***+*****] 2
60 1 4 . N3 5 4 . N6 2.900 2.600 3.200 2.925 2.839 3.074 . 0 0 "[ . 1 . ]" 2
61 1 5 . HN1 2 5 . O2 1.800 . 2.000 2.078 2.025 2.117 0.117 3 0 "[ . 1 . ]" 2
62 1 5 . N1 2 5 . O2 2.700 2.400 3.000 2.989 2.916 3.022 0.022 16 0 "[ . 1 . ]" 2
63 1 5 . HN61 2 5 . N3 2.000 . 2.200 3.972 3.943 4.002 1.802 2 16 [*+**********-***] 2
64 1 5 . N6 2 5 . N3 2.900 2.600 3.200 3.170 3.148 3.199 . 0 0 "[ . 1 . ]" 2
65 2 5 . HN1 3 5 . O2 1.800 . 2.000 2.070 2.029 2.114 0.114 8 0 "[ . 1 . ]" 2
66 2 5 . N1 3 5 . O2 2.700 2.400 3.000 2.941 2.885 3.004 0.004 3 0 "[ . 1 . ]" 2
67 2 5 . HN61 3 5 . N3 2.000 . 2.200 3.960 3.909 4.010 1.810 5 16 [****+*******-***] 2
68 2 5 . N6 3 5 . N3 2.900 2.600 3.200 3.145 3.082 3.196 . 0 0 "[ . 1 . ]" 2
69 3 5 . HN1 4 5 . O2 1.800 . 2.000 2.103 2.048 2.151 0.151 11 0 "[ . 1 . ]" 2
70 3 5 . N1 4 5 . O2 2.700 2.400 3.000 2.955 2.914 3.013 0.013 5 0 "[ . 1 . ]" 2
71 3 5 . HN61 4 5 . N3 2.000 . 2.200 3.952 3.907 4.005 1.805 2 16 [*+*********-****] 2
72 3 5 . N6 4 5 . N3 2.900 2.600 3.200 3.136 3.088 3.190 . 0 0 "[ . 1 . ]" 2
73 4 5 . HN1 5 5 . O2 1.800 . 2.000 2.095 2.042 2.143 0.143 15 0 "[ . 1 . ]" 2
74 4 5 . N1 5 5 . O2 2.700 2.400 3.000 2.964 2.934 3.003 0.003 7 0 "[ . 1 . ]" 2
75 4 5 . HN61 5 5 . N3 2.000 . 2.200 3.988 3.958 4.011 1.811 6 16 [*****+-*********] 2
76 4 5 . N6 5 5 . N3 2.900 2.600 3.200 3.175 3.152 3.202 0.002 1 0 "[ . 1 . ]" 2
77 1 5 . O2 5 5 . HN1 1.800 . 2.000 2.093 2.062 2.128 0.128 16 0 "[ . 1 . ]" 2
78 1 5 . O2 5 5 . N1 2.700 2.400 3.000 2.981 2.961 2.998 . 0 0 "[ . 1 . ]" 2
79 1 5 . N3 5 5 . HN61 2.000 . 2.200 3.997 3.959 4.022 1.822 12 16 [-**********+****] 2
80 1 5 . N3 5 5 . N6 2.900 2.600 3.200 3.179 3.153 3.195 . 0 0 "[ . 1 . ]" 2
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