NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
390609 |
1opp   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1opp
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 430
_Distance_constraint_stats_list.Viol_count 1667
_Distance_constraint_stats_list.Viol_total 5906.295
_Distance_constraint_stats_list.Viol_max 1.536
_Distance_constraint_stats_list.Viol_rms 0.0982
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0175
_Distance_constraint_stats_list.Viol_average_violations_only 0.1265
_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 THR 3.293 0.388 18 0 "[ . 1 . 2 . ]"
1 2 PRO 3.502 0.388 18 0 "[ . 1 . 2 . ]"
1 3 ASP 0.313 0.209 3 0 "[ . 1 . 2 . ]"
1 4 VAL 2.947 0.709 22 1 "[ . 1 . 2 + . ]"
1 5 SER 0.211 0.016 3 0 "[ . 1 . 2 . ]"
1 6 SER 0.765 0.357 27 0 "[ . 1 . 2 . ]"
1 7 ALA 4.288 0.709 22 1 "[ . 1 . 2 + . ]"
1 8 LEU 7.834 0.754 17 3 "[ -.* 1 . + 2 . ]"
1 9 ASP 8.653 0.873 28 5 "[ *.* 1 . - 2 * . +]"
1 10 LYS 0.064 0.021 22 0 "[ . 1 . 2 . ]"
1 11 LEU 4.373 0.780 11 6 "[ *. *1+* . - 2 . * ]"
1 12 LYS 17.914 0.873 28 17 "[ *.*** **** **- * * *** +]"
1 13 GLU 15.831 0.803 12 15 "[ *.*** -*+* *** * *** ]"
1 14 PHE 16.311 0.880 9 14 "[* *** -+*** . ** 2 *.** ]"
1 15 GLY 19.204 1.074 22 14 "[* *** *-** . * * + *.** ]"
1 16 ASN 3.145 0.219 9 0 "[ . 1 . 2 . ]"
1 17 THR 37.627 1.536 8 21 "[ ***.**+ 1-********** *** *]"
1 18 LEU 48.399 1.536 8 25 "[*******+**- ************** ]"
1 19 GLU 1.295 0.221 11 0 "[ . 1 . 2 . ]"
1 20 ASP 3.202 0.703 25 3 "[ . 1 -* . 2 + ]"
1 21 LYS 38.935 0.951 20 26 "[*********1***-*****+* ******]"
1 22 ALA 13.818 0.888 2 14 "[ +* ** **1* ** **2 - **]"
1 23 ARG 9.693 0.703 25 3 "[ . 1 -* . 2 + ]"
1 24 GLU 1.631 0.218 10 0 "[ . 1 . 2 . ]"
1 25 LEU 3.500 0.966 23 1 "[ . 1 . 2 + . ]"
1 26 ILE 1.035 0.479 28 0 "[ . 1 . 2 . ]"
1 27 SER 14.724 0.594 20 18 "[ *-** ** 1****.* * +* *.***]"
1 28 ARG 18.130 0.966 23 19 "[ *-** ** 1****.* * ** +*.***]"
1 29 ILE 0.984 0.059 28 0 "[ . 1 . 2 . ]"
1 30 LYS 3.626 0.557 18 1 "[ . 1 . + 2 . ]"
1 31 GLN 1.687 0.457 8 0 "[ . 1 . 2 . ]"
1 32 SER 20.659 1.125 21 26 "[*********** ********+-**** *]"
1 33 GLU 4.265 0.557 18 1 "[ . 1 . + 2 . ]"
1 34 LEU 38.502 1.125 21 27 "[*********** ********+-******]"
1 35 SER 2.705 0.902 27 1 "[ . 1 . 2 . + ]"
1 36 ALA 10.399 0.995 7 8 "[ *-* + 1 * . *** . ]"
1 37 LYS 1.117 0.267 22 0 "[ . 1 . 2 . ]"
1 38 MET 1.696 0.155 2 0 "[ . 1 . 2 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 1 THR HG1 3.000 . 4.500 2.751 2.334 3.043 . 0 0 "[ . 1 . 2 . ]" 1
2 1 1 THR HA 1 2 PRO HD2 3.000 . 3.030 2.949 2.599 3.038 0.008 13 0 "[ . 1 . 2 . ]" 1
3 1 1 THR HA 1 2 PRO HD3 3.000 . 3.000 1.957 1.896 2.103 . 0 0 "[ . 1 . 2 . ]" 1
4 1 1 THR HA 1 4 VAL MG1 8.500 2.500 8.500 6.218 4.148 7.097 . 0 0 "[ . 1 . 2 . ]" 1
5 1 1 THR HB 1 2 PRO HD2 4.000 2.500 4.000 3.731 2.986 4.026 0.026 8 0 "[ . 1 . 2 . ]" 1
6 1 1 THR HB 1 2 PRO HD3 4.000 2.500 4.120 4.119 3.971 4.141 0.021 8 0 "[ . 1 . 2 . ]" 1
7 1 1 THR HG1 1 2 PRO HD2 3.000 . 4.500 1.891 1.412 2.865 0.388 18 0 "[ . 1 . 2 . ]" 1
8 1 1 THR HG1 1 2 PRO HD3 3.000 . 4.500 2.930 2.496 3.715 . 0 0 "[ . 1 . 2 . ]" 1
9 1 1 THR HG1 1 4 VAL HA 3.000 . 4.950 3.719 3.269 3.943 . 0 0 "[ . 1 . 2 . ]" 1
10 1 2 PRO HA 1 3 ASP H 3.000 . 3.000 2.692 2.400 3.209 0.209 3 0 "[ . 1 . 2 . ]" 1
11 1 2 PRO HB2 1 2 PRO HD3 8.735 2.500 4.000 3.807 3.796 3.930 . 0 0 "[ . 1 . 2 . ]" 1
12 1 2 PRO HB2 1 2 PRO HG3 5.890 . 3.030 3.011 2.613 3.027 . 0 0 "[ . 1 . 2 . ]" 1
13 1 2 PRO HB3 1 2 PRO HD2 7.735 2.500 4.000 3.854 3.692 3.869 . 0 0 "[ . 1 . 2 . ]" 1
14 1 2 PRO HD2 1 2 PRO HG2 4.888 . 3.000 2.196 2.135 2.205 . 0 0 "[ . 1 . 2 . ]" 1
15 1 2 PRO HD3 1 2 PRO HG2 4.888 . 3.000 2.568 2.544 2.922 . 0 0 "[ . 1 . 2 . ]" 1
16 1 2 PRO HD3 1 2 PRO HG3 5.845 . 3.000 2.437 2.390 2.447 . 0 0 "[ . 1 . 2 . ]" 1
17 1 3 ASP H 1 3 ASP HB2 3.000 . 3.000 2.542 2.279 3.006 0.006 8 0 "[ . 1 . 2 . ]" 1
18 1 3 ASP H 1 3 ASP HB3 3.000 . 3.000 2.715 2.281 3.034 0.034 8 0 "[ . 1 . 2 . ]" 1
19 1 3 ASP HA 1 3 ASP HB2 3.000 . 3.000 2.599 2.392 2.787 . 0 0 "[ . 1 . 2 . ]" 1
20 1 3 ASP HA 1 3 ASP HB3 3.000 . 3.100 3.083 3.037 3.101 0.001 10 0 "[ . 1 . 2 . ]" 1
21 1 3 ASP HA 1 4 VAL HB 5.000 3.500 6.000 4.713 4.160 5.940 . 0 0 "[ . 1 . 2 . ]" 1
22 1 3 ASP HA 1 4 VAL MG1 5.000 2.500 7.500 4.483 3.640 6.163 . 0 0 "[ . 1 . 2 . ]" 1
23 1 3 ASP HA 1 4 VAL MG2 5.000 . 7.500 5.307 3.292 6.111 . 0 0 "[ . 1 . 2 . ]" 1
24 1 3 ASP HA 1 6 SER H 5.000 3.500 5.000 4.808 3.937 5.026 0.026 19 0 "[ . 1 . 2 . ]" 1
25 1 4 VAL H 1 4 VAL HA 3.000 . 3.060 2.906 2.390 3.073 0.013 6 0 "[ . 1 . 2 . ]" 1
26 1 4 VAL H 1 4 VAL HB 3.000 . 3.000 2.706 2.236 3.004 0.004 21 0 "[ . 1 . 2 . ]" 1
27 1 4 VAL H 1 4 VAL MG1 3.000 . 4.550 2.991 1.982 3.937 . 0 0 "[ . 1 . 2 . ]" 1
28 1 4 VAL H 1 4 VAL MG2 3.000 . 4.700 3.594 1.698 4.007 0.102 23 0 "[ . 1 . 2 . ]" 1
29 1 4 VAL HA 1 4 VAL HB 3.000 . 3.000 2.723 2.440 3.067 0.067 17 0 "[ . 1 . 2 . ]" 1
30 1 4 VAL HA 1 4 VAL MG1 3.000 . 4.500 3.201 2.416 3.390 . 0 0 "[ . 1 . 2 . ]" 1
31 1 4 VAL HA 1 4 VAL MG2 3.000 . 4.500 2.460 2.310 2.922 . 0 0 "[ . 1 . 2 . ]" 1
32 1 4 VAL HA 1 6 SER H 5.000 3.500 5.000 4.185 3.500 4.817 0.000 19 0 "[ . 1 . 2 . ]" 1
33 1 4 VAL HA 1 7 ALA H 4.000 2.500 4.000 3.457 2.896 4.021 0.021 11 0 "[ . 1 . 2 . ]" 1
34 1 4 VAL HA 1 7 ALA MB 3.000 . 4.000 2.208 1.336 3.074 0.464 22 0 "[ . 1 . 2 . ]" 1
35 1 4 VAL HA 1 8 LEU H 5.000 3.500 5.200 4.855 3.772 5.293 0.093 5 0 "[ . 1 . 2 . ]" 1
36 1 4 VAL HB 1 7 ALA MB 5.000 2.500 5.500 4.228 3.446 4.588 . 0 0 "[ . 1 . 2 . ]" 1
37 1 4 VAL MG2 1 7 ALA MB 4.000 2.500 7.000 3.284 1.791 4.491 0.709 22 1 "[ . 1 . 2 + . ]" 1
38 1 5 SER H 1 5 SER HA 3.000 . 3.050 2.947 2.400 3.064 0.014 8 0 "[ . 1 . 2 . ]" 1
39 1 5 SER H 1 6 SER H 3.000 . 3.000 2.344 1.899 3.011 0.011 19 0 "[ . 1 . 2 . ]" 1
40 1 5 SER H 1 7 ALA H 4.000 2.500 4.000 3.357 2.495 4.016 0.016 3 0 "[ . 1 . 2 . ]" 1
41 1 6 SER H 1 6 SER HA 3.000 . 3.060 3.057 3.022 3.066 0.006 17 0 "[ . 1 . 2 . ]" 1
42 1 6 SER HA 1 7 ALA H 3.000 . 3.000 2.773 2.600 2.889 . 0 0 "[ . 1 . 2 . ]" 1
43 1 6 SER HA 1 9 ASP H 4.000 2.500 4.000 3.272 2.948 4.101 0.101 5 0 "[ . 1 . 2 . ]" 1
44 1 6 SER HA 1 9 ASP HB2 4.000 2.500 4.080 3.389 2.498 4.082 0.002 4 0 "[ . 1 . 2 . ]" 1
45 1 6 SER HA 1 9 ASP HB3 4.000 2.500 4.020 3.601 2.496 4.023 0.004 27 0 "[ . 1 . 2 . ]" 1
46 1 6 SER QB 1 9 ASP HB2 4.000 2.500 5.000 3.696 2.826 4.474 . 0 0 "[ . 1 . 2 . ]" 1
47 1 6 SER QB 1 9 ASP HB3 4.000 2.500 5.000 3.342 2.143 4.065 0.357 27 0 "[ . 1 . 2 . ]" 1
48 1 7 ALA H 1 7 ALA MB 3.000 . 4.500 2.359 2.288 2.463 . 0 0 "[ . 1 . 2 . ]" 1
49 1 7 ALA HA 1 8 LEU H 3.000 . 3.370 3.303 2.152 3.454 0.084 1 0 "[ . 1 . 2 . ]" 1
50 1 7 ALA HA 1 9 ASP HB3 4.000 2.500 4.310 4.291 4.138 4.346 0.036 27 0 "[ . 1 . 2 . ]" 1
51 1 8 LEU H 1 8 LEU HA 3.000 . 3.060 2.920 2.409 3.012 . 0 0 "[ . 1 . 2 . ]" 1
52 1 8 LEU H 1 8 LEU HB2 3.000 . 3.000 2.518 2.253 3.219 0.219 20 0 "[ . 1 . 2 . ]" 1
53 1 8 LEU H 1 8 LEU HB3 3.000 . 3.000 2.810 2.429 3.312 0.312 20 0 "[ . 1 . 2 . ]" 1
54 1 8 LEU H 1 9 ASP H 3.000 . 3.000 2.513 2.341 2.978 . 0 0 "[ . 1 . 2 . ]" 1
55 1 8 LEU HA 1 8 LEU HB2 4.753 . 3.000 2.637 2.352 2.941 . 0 0 "[ . 1 . 2 . ]" 1
56 1 8 LEU HA 1 8 LEU MD1 3.000 . 4.500 3.212 1.834 3.811 . 0 0 "[ . 1 . 2 . ]" 1
57 1 8 LEU HA 1 8 LEU MD2 3.000 . 4.650 2.747 1.883 4.047 . 0 0 "[ . 1 . 2 . ]" 1
58 1 8 LEU HA 1 9 ASP H 4.000 2.500 4.000 3.410 2.839 3.496 . 0 0 "[ . 1 . 2 . ]" 1
59 1 8 LEU HA 1 11 LEU H 4.000 2.500 4.000 3.247 2.784 3.755 . 0 0 "[ . 1 . 2 . ]" 1
60 1 8 LEU HA 1 11 LEU HB2 4.000 2.500 4.000 3.335 2.533 4.008 0.008 14 0 "[ . 1 . 2 . ]" 1
61 1 8 LEU HA 1 12 LYS H 5.000 3.500 5.000 4.521 3.672 5.014 0.014 23 0 "[ . 1 . 2 . ]" 1
62 1 8 LEU HB2 1 9 ASP H 4.000 2.500 4.030 3.829 2.804 4.496 0.466 27 0 "[ . 1 . 2 . ]" 1
63 1 8 LEU HB3 1 9 ASP H 4.000 2.500 4.000 3.005 2.708 4.060 0.060 20 0 "[ . 1 . 2 . ]" 1
64 1 8 LEU MD1 1 9 ASP HA 5.000 3.500 6.700 4.372 2.746 5.764 0.754 17 2 "[ .- 1 . + 2 . ]" 1
65 1 8 LEU MD2 1 9 ASP H 5.000 3.500 6.500 4.352 3.347 5.000 0.153 4 0 "[ . 1 . 2 . ]" 1
66 1 8 LEU MD2 1 9 ASP HA 5.000 3.500 6.750 4.556 2.881 5.635 0.619 4 1 "[ +. 1 . 2 . ]" 1
67 1 9 ASP H 1 9 ASP HB2 4.000 . 4.000 2.651 2.441 3.166 . 0 0 "[ . 1 . 2 . ]" 1
68 1 9 ASP H 1 9 ASP HB3 4.000 . 4.000 2.561 2.278 2.764 . 0 0 "[ . 1 . 2 . ]" 1
69 1 9 ASP H 1 10 LYS H 3.000 . 3.000 2.732 2.197 2.880 . 0 0 "[ . 1 . 2 . ]" 1
70 1 9 ASP HA 1 9 ASP HB2 3.000 . 3.000 2.530 2.422 2.610 . 0 0 "[ . 1 . 2 . ]" 1
71 1 9 ASP HA 1 9 ASP HB3 3.000 . 3.090 3.094 3.060 3.101 0.011 17 0 "[ . 1 . 2 . ]" 1
72 1 9 ASP HA 1 10 LYS H 4.000 2.500 4.000 3.497 3.473 3.534 . 0 0 "[ . 1 . 2 . ]" 1
73 1 9 ASP HA 1 11 LEU H 4.000 2.500 4.210 4.210 4.092 4.241 0.031 28 0 "[ . 1 . 2 . ]" 1
74 1 9 ASP HA 1 12 LYS H 5.000 3.500 5.000 4.005 3.499 4.679 0.001 17 0 "[ . 1 . 2 . ]" 1
75 1 9 ASP HA 1 12 LYS QB 4.000 . 4.000 2.810 2.057 3.213 . 0 0 "[ . 1 . 2 . ]" 1
76 1 9 ASP HA 1 12 LYS QD 4.000 2.500 5.000 3.880 2.566 4.538 . 0 0 "[ . 1 . 2 . ]" 1
77 1 9 ASP HA 1 12 LYS QG 5.000 3.500 6.000 4.434 2.627 5.233 0.873 28 3 "[ . 1 . - 2 * . +]" 1
78 1 9 ASP HB2 1 10 LYS H 4.000 2.500 4.000 3.948 3.795 4.021 0.021 22 0 "[ . 1 . 2 . ]" 1
79 1 9 ASP HB3 1 10 LYS H 4.000 2.500 4.000 2.702 2.520 2.813 . 0 0 "[ . 1 . 2 . ]" 1
80 1 10 LYS H 1 10 LYS HA 3.000 . 3.000 2.914 2.837 2.975 . 0 0 "[ . 1 . 2 . ]" 1
81 1 10 LYS H 1 10 LYS HB3 5.758 2.500 4.000 3.330 2.495 3.698 0.005 7 0 "[ . 1 . 2 . ]" 1
82 1 10 LYS H 1 11 LEU H 3.000 . 3.000 2.680 2.466 2.949 . 0 0 "[ . 1 . 2 . ]" 1
83 1 11 LEU H 1 11 LEU HB2 4.000 . 4.000 2.498 2.215 3.037 . 0 0 "[ . 1 . 2 . ]" 1
84 1 11 LEU H 1 11 LEU HB3 4.000 . 4.000 3.670 3.532 3.829 . 0 0 "[ . 1 . 2 . ]" 1
85 1 11 LEU H 1 11 LEU MD1 3.000 . 4.600 3.465 2.234 3.915 . 0 0 "[ . 1 . 2 . ]" 1
86 1 11 LEU H 1 11 LEU MD2 3.000 . 4.560 3.153 1.846 3.750 . 0 0 "[ . 1 . 2 . ]" 1
87 1 11 LEU H 1 12 LYS H 4.000 2.500 4.000 2.897 2.499 3.346 0.001 11 0 "[ . 1 . 2 . ]" 1
88 1 11 LEU HA 1 14 PHE H 4.000 2.500 4.200 3.851 3.172 4.228 0.028 19 0 "[ . 1 . 2 . ]" 1
89 1 11 LEU HA 1 14 PHE QD 3.000 . 5.000 3.720 3.053 4.190 . 0 0 "[ . 1 . 2 . ]" 1
90 1 11 LEU HA 1 15 GLY H 5.000 3.500 5.040 4.529 3.499 5.080 0.040 28 0 "[ . 1 . 2 . ]" 1
91 1 11 LEU HB2 1 12 LYS H 4.000 . 5.000 2.784 1.896 4.276 . 0 0 "[ . 1 . 2 . ]" 1
92 1 11 LEU MD1 1 14 PHE HB3 4.000 2.500 5.600 3.466 1.720 4.637 0.780 11 5 "[ *. *1+ . - 2 . * ]" 1
93 1 11 LEU MD2 1 14 PHE HB3 4.000 2.500 5.600 3.951 1.940 4.745 0.560 12 1 "[ . 1 + . 2 . ]" 1
94 1 12 LYS H 1 12 LYS HA 3.000 . 3.010 2.630 2.379 3.025 0.015 27 0 "[ . 1 . 2 . ]" 1
95 1 12 LYS H 1 12 LYS QB 4.000 2.490 5.000 2.609 2.135 3.017 0.355 1 0 "[ . 1 . 2 . ]" 1
96 1 12 LYS H 1 13 GLU H 7.000 3.500 7.000 4.037 3.478 4.787 0.022 3 0 "[ . 1 . 2 . ]" 1
97 1 12 LYS HA 1 12 LYS QD 3.000 . 4.010 2.814 2.132 3.646 . 0 0 "[ . 1 . 2 . ]" 1
98 1 12 LYS HA 1 12 LYS QE 4.000 2.500 5.000 3.469 1.839 4.517 0.661 17 1 "[ . 1 . + 2 . ]" 1
99 1 12 LYS HA 1 12 LYS QG 3.000 . 4.000 2.629 2.073 3.021 . 0 0 "[ . 1 . 2 . ]" 1
100 1 12 LYS HA 1 13 GLU H 4.000 2.480 4.000 3.018 2.454 3.552 0.026 21 0 "[ . 1 . 2 . ]" 1
101 1 12 LYS HA 1 15 GLY H 4.000 2.500 4.250 4.131 3.389 4.335 0.085 14 0 "[ . 1 . 2 . ]" 1
102 1 12 LYS HA 1 16 ASN H 5.000 3.500 5.000 4.478 4.214 4.655 . 0 0 "[ . 1 . 2 . ]" 1
103 1 12 LYS QB 1 12 LYS QD 3.000 . 5.000 2.323 2.068 2.971 . 0 0 "[ . 1 . 2 . ]" 1
104 1 12 LYS QB 1 13 GLU H 4.000 2.500 5.000 2.689 1.697 4.087 0.803 12 15 "[ *.*** -*+* *** * *** ]" 1
105 1 13 GLU H 1 14 PHE H 4.000 3.440 5.000 3.512 3.387 4.059 0.053 12 0 "[ . 1 . 2 . ]" 1
106 1 13 GLU HA 1 13 GLU HG2 5.000 2.500 5.000 3.463 2.555 4.057 . 0 0 "[ . 1 . 2 . ]" 1
107 1 13 GLU HA 1 13 GLU HG3 5.000 2.500 5.000 3.217 2.497 4.316 0.003 12 0 "[ . 1 . 2 . ]" 1
108 1 13 GLU HA 1 14 PHE H 4.000 2.500 4.000 3.537 3.504 3.572 . 0 0 "[ . 1 . 2 . ]" 1
109 1 13 GLU HA 1 16 ASN H 5.000 3.500 5.000 3.650 3.497 3.860 0.003 22 0 "[ . 1 . 2 . ]" 1
110 1 13 GLU HA 1 16 ASN HB2 4.000 2.500 4.100 3.805 2.914 4.115 0.015 10 0 "[ . 1 . 2 . ]" 1
111 1 13 GLU HA 1 16 ASN HB3 4.000 2.500 4.000 2.796 2.496 3.261 0.004 28 0 "[ . 1 . 2 . ]" 1
112 1 13 GLU HA 1 16 ASN HD21 5.000 3.500 5.220 3.450 3.281 4.633 0.219 9 0 "[ . 1 . 2 . ]" 1
113 1 13 GLU HA 1 17 THR H 5.000 3.500 5.000 4.547 4.270 4.860 . 0 0 "[ . 1 . 2 . ]" 1
114 1 13 GLU QB 1 14 PHE H 3.000 . 4.000 1.839 1.538 2.411 0.262 3 0 "[ . 1 . 2 . ]" 1
115 1 14 PHE H 1 14 PHE HA 4.000 2.500 4.000 2.774 2.724 2.821 . 0 0 "[ . 1 . 2 . ]" 1
116 1 14 PHE H 1 14 PHE HB2 4.000 2.500 4.000 2.795 2.467 3.365 0.033 12 0 "[ . 1 . 2 . ]" 1
117 1 14 PHE H 1 14 PHE HB3 4.000 2.380 4.000 2.498 2.364 3.684 0.016 8 0 "[ . 1 . 2 . ]" 1
118 1 14 PHE H 1 14 PHE QD 4.000 2.500 6.000 4.160 3.015 4.302 . 0 0 "[ . 1 . 2 . ]" 1
119 1 14 PHE H 1 15 GLY H 5.000 3.180 5.000 3.159 3.139 3.173 0.041 2 0 "[ . 1 . 2 . ]" 1
120 1 14 PHE HA 1 14 PHE HB2 3.000 . 3.000 2.421 2.302 3.005 0.005 19 0 "[ . 1 . 2 . ]" 1
121 1 14 PHE HA 1 14 PHE HB3 3.000 . 3.100 3.049 2.920 3.105 0.005 21 0 "[ . 1 . 2 . ]" 1
122 1 14 PHE HA 1 15 GLY H 5.000 3.400 5.000 3.493 3.454 3.542 . 0 0 "[ . 1 . 2 . ]" 1
123 1 14 PHE HA 1 17 THR HG1 4.000 2.500 5.500 3.046 2.290 4.146 0.210 2 0 "[ . 1 . 2 . ]" 1
124 1 14 PHE HB2 1 14 PHE QD 3.000 . 5.000 2.500 2.319 2.811 . 0 0 "[ . 1 . 2 . ]" 1
125 1 14 PHE HB2 1 15 GLY H 5.000 3.500 5.000 4.341 3.480 4.422 0.020 19 0 "[ . 1 . 2 . ]" 1
126 1 14 PHE HB3 1 14 PHE QD 3.000 . 5.000 2.474 2.293 2.671 . 0 0 "[ . 1 . 2 . ]" 1
127 1 14 PHE HB3 1 15 GLY H 5.000 3.360 5.000 3.345 3.328 3.353 0.032 12 0 "[ . 1 . 2 . ]" 1
128 1 14 PHE QD 1 15 GLY H 5.000 2.500 6.000 3.543 1.998 4.824 0.502 8 1 "[ . + 1 . 2 . ]" 1
129 1 14 PHE QD 1 15 GLY QA 5.000 3.500 7.000 3.433 2.620 5.086 0.880 9 10 "[* *** +* . * 2 -.** ]" 1
130 1 14 PHE QD 1 17 THR HB 4.000 2.500 6.000 4.686 3.778 5.300 . 0 0 "[ . 1 . 2 . ]" 1
131 1 14 PHE QD 1 17 THR HG1 4.000 2.500 7.600 4.468 3.530 5.294 . 0 0 "[ . 1 . 2 . ]" 1
132 1 14 PHE QD 1 18 LEU QD 3.000 . 7.400 3.979 3.175 4.824 . 0 0 "[ . 1 . 2 . ]" 1
133 1 14 PHE QE 1 18 LEU QD 3.000 . 7.400 3.513 2.439 4.705 . 0 0 "[ . 1 . 2 . ]" 1
134 1 15 GLY H 1 15 GLY QA 4.000 2.500 4.000 2.361 2.313 2.416 0.187 8 0 "[ . 1 . 2 . ]" 1
135 1 15 GLY QA 1 16 ASN H 4.000 2.500 4.000 2.633 2.520 2.754 . 0 0 "[ . 1 . 2 . ]" 1
136 1 15 GLY QA 1 18 LEU QD 5.776 2.500 6.400 2.733 1.426 3.744 1.074 22 5 "[ . - * . * * + . ]" 1
137 1 16 ASN H 1 16 ASN HA 3.000 . 3.000 2.858 2.807 2.906 . 0 0 "[ . 1 . 2 . ]" 1
138 1 16 ASN H 1 16 ASN HB2 3.000 . 3.000 2.725 2.194 3.005 0.005 28 0 "[ . 1 . 2 . ]" 1
139 1 16 ASN H 1 16 ASN HB3 3.000 . 3.000 2.434 2.183 3.007 0.007 16 0 "[ . 1 . 2 . ]" 1
140 1 16 ASN H 1 17 THR H 4.000 2.500 4.000 2.816 2.673 2.986 . 0 0 "[ . 1 . 2 . ]" 1
141 1 16 ASN HA 1 16 ASN HB2 3.000 . 3.000 2.448 2.339 2.719 . 0 0 "[ . 1 . 2 . ]" 1
142 1 16 ASN HA 1 16 ASN HB3 3.000 . 3.090 3.080 3.021 3.107 0.017 4 0 "[ . 1 . 2 . ]" 1
143 1 16 ASN HA 1 19 GLU HB2 4.000 . 4.000 3.743 3.099 4.005 0.005 23 0 "[ . 1 . 2 . ]" 1
144 1 16 ASN HA 1 19 GLU HB3 4.000 . 4.000 3.122 2.558 3.564 . 0 0 "[ . 1 . 2 . ]" 1
145 1 16 ASN HA 1 19 GLU QG 5.000 3.500 6.000 4.928 4.325 5.417 . 0 0 "[ . 1 . 2 . ]" 1
146 1 16 ASN HB2 1 17 THR H 4.000 2.500 4.100 4.039 3.582 4.148 0.048 28 0 "[ . 1 . 2 . ]" 1
147 1 16 ASN HB3 1 17 THR H 4.000 2.500 4.000 2.854 2.501 2.998 . 0 0 "[ . 1 . 2 . ]" 1
148 1 17 THR H 1 17 THR HA 3.000 . 3.000 2.930 2.832 2.979 . 0 0 "[ . 1 . 2 . ]" 1
149 1 17 THR H 1 17 THR HB 4.000 2.500 4.000 2.601 2.495 2.900 0.005 1 0 "[ . 1 . 2 . ]" 1
150 1 17 THR H 1 17 THR HG1 4.000 2.500 4.200 3.235 3.059 3.317 . 0 0 "[ . 1 . 2 . ]" 1
151 1 17 THR H 1 18 LEU H 4.000 2.500 4.000 2.648 2.498 2.990 0.002 12 0 "[ . 1 . 2 . ]" 1
152 1 17 THR HA 1 17 THR HG1 4.000 2.500 4.000 2.515 2.409 2.584 0.091 17 0 "[ . 1 . 2 . ]" 1
153 1 17 THR HA 1 18 LEU H 4.000 2.500 4.000 3.509 3.454 3.547 . 0 0 "[ . 1 . 2 . ]" 1
154 1 17 THR HA 1 20 ASP H 4.000 2.500 4.000 3.903 3.493 4.017 0.017 26 0 "[ . 1 . 2 . ]" 1
155 1 17 THR HA 1 20 ASP HB2 4.000 2.500 4.010 3.567 2.879 4.014 0.004 13 0 "[ . 1 . 2 . ]" 1
156 1 17 THR HA 1 20 ASP HB3 4.000 2.500 4.000 3.567 3.036 4.016 0.016 1 0 "[ . 1 . 2 . ]" 1
157 1 17 THR HB 1 18 LEU H 3.000 . 3.000 2.652 2.432 2.965 . 0 0 "[ . 1 . 2 . ]" 1
158 1 17 THR HB 1 18 LEU QD 5.000 3.500 7.400 3.454 1.964 5.425 1.536 8 14 "[ ***.* + 1* *** **2- * * ]" 1
159 1 17 THR HG1 1 18 LEU H 3.000 . 4.500 3.546 3.258 3.691 . 0 0 "[ . 1 . 2 . ]" 1
160 1 17 THR HG1 1 18 LEU HA 5.000 3.500 6.500 3.710 3.349 4.076 0.151 26 0 "[ . 1 . 2 . ]" 1
161 1 17 THR HG1 1 18 LEU QD 5.000 3.500 8.900 3.607 2.616 5.257 0.884 15 12 "[ ** .* * 1- *+ **2* ** ]" 1
162 1 17 THR HG1 1 19 GLU H 5.000 3.500 6.500 4.923 4.762 5.179 . 0 0 "[ . 1 . 2 . ]" 1
163 1 17 THR HG1 1 21 LYS QD 3.000 2.500 6.600 2.603 1.549 4.250 0.951 20 9 "[ *. * 1 **-. * +* . *]" 1
164 1 17 THR HG1 1 21 LYS QE 3.000 . 5.600 3.265 2.715 3.904 . 0 0 "[ . 1 . 2 . ]" 1
165 1 18 LEU H 1 18 LEU QB 4.000 2.490 5.000 2.611 2.103 2.966 0.387 12 0 "[ . 1 . 2 . ]" 1
166 1 18 LEU H 1 18 LEU QD 3.000 . 5.400 2.628 1.691 3.887 0.109 6 0 "[ . 1 . 2 . ]" 1
167 1 18 LEU H 1 19 GLU H 3.000 . 3.000 2.583 2.403 2.841 . 0 0 "[ . 1 . 2 . ]" 1
168 1 18 LEU HA 1 18 LEU QD 3.000 . 5.400 2.609 1.913 3.512 . 0 0 "[ . 1 . 2 . ]" 1
169 1 18 LEU HA 1 18 LEU HG 4.000 2.500 4.000 3.633 3.082 3.862 . 0 0 "[ . 1 . 2 . ]" 1
170 1 18 LEU HA 1 19 GLU H 4.000 2.500 4.000 3.467 3.393 3.522 . 0 0 "[ . 1 . 2 . ]" 1
171 1 18 LEU HA 1 21 LYS QD 5.000 3.350 6.000 3.036 2.445 4.220 0.905 5 10 "[ * + **1 . * 2- **.** ]" 1
172 1 18 LEU HA 1 21 LYS QG 4.000 2.500 5.100 4.001 2.852 4.636 . 0 0 "[ . 1 . 2 . ]" 1
173 1 18 LEU QB 1 19 GLU H 4.000 2.500 5.000 2.973 2.457 3.736 0.043 5 0 "[ . 1 . 2 . ]" 1
174 1 18 LEU QD 1 19 GLU H 4.000 2.500 6.400 3.820 3.114 4.220 . 0 0 "[ . 1 . 2 . ]" 1
175 1 18 LEU QD 1 21 LYS QB 5.000 3.500 8.700 4.854 2.800 5.590 0.700 1 1 "[+ . 1 . 2 . ]" 1
176 1 18 LEU QD 1 21 LYS QD 5.000 3.500 8.400 4.169 3.133 5.575 0.367 16 0 "[ . 1 . 2 . ]" 1
177 1 18 LEU HG 1 19 GLU H 4.000 2.500 4.040 3.635 2.500 4.047 0.007 5 0 "[ . 1 . 2 . ]" 1
178 1 19 GLU H 1 19 GLU HA 3.000 . 3.060 3.031 2.949 3.071 0.011 28 0 "[ . 1 . 2 . ]" 1
179 1 19 GLU H 1 19 GLU HB2 4.000 2.500 4.000 2.508 2.498 2.576 0.002 23 0 "[ . 1 . 2 . ]" 1
180 1 19 GLU H 1 19 GLU HB3 4.000 2.500 4.000 2.699 2.499 3.095 0.001 5 0 "[ . 1 . 2 . ]" 1
181 1 19 GLU H 1 19 GLU QG 4.000 2.500 5.000 4.167 4.120 4.236 . 0 0 "[ . 1 . 2 . ]" 1
182 1 19 GLU H 1 20 ASP H 4.000 2.500 4.000 2.745 2.499 2.893 0.001 13 0 "[ . 1 . 2 . ]" 1
183 1 19 GLU HA 1 19 GLU HB2 3.000 . 3.000 2.663 2.538 2.839 . 0 0 "[ . 1 . 2 . ]" 1
184 1 19 GLU HA 1 19 GLU HB3 3.000 . 3.100 3.080 3.013 3.097 . 0 0 "[ . 1 . 2 . ]" 1
185 1 19 GLU HA 1 19 GLU QG 3.000 . 4.000 2.561 2.298 3.253 . 0 0 "[ . 1 . 2 . ]" 1
186 1 19 GLU HA 1 20 ASP H 4.000 2.500 4.000 3.069 2.922 3.540 . 0 0 "[ . 1 . 2 . ]" 1
187 1 19 GLU HA 1 22 ALA H 4.000 2.500 4.000 3.837 3.488 4.010 0.010 18 0 "[ . 1 . 2 . ]" 1
188 1 19 GLU HA 1 22 ALA MB 3.000 . 4.500 2.883 2.085 3.404 . 0 0 "[ . 1 . 2 . ]" 1
189 1 19 GLU HA 1 23 ARG H 5.000 3.500 5.000 4.343 3.499 5.028 0.028 1 0 "[ . 1 . 2 . ]" 1
190 1 19 GLU HA 1 23 ARG QB 5.000 3.500 6.150 4.837 3.279 5.521 0.221 11 0 "[ . 1 . 2 . ]" 1
191 1 19 GLU HA 1 23 ARG QG 5.000 3.500 6.150 5.234 3.288 5.552 0.212 12 0 "[ . 1 . 2 . ]" 1
192 1 19 GLU HB2 1 20 ASP H 4.000 2.500 4.420 4.326 3.739 4.460 0.040 6 0 "[ . 1 . 2 . ]" 1
193 1 19 GLU HB3 1 20 ASP H 4.000 2.500 4.030 3.784 2.500 4.059 0.029 18 0 "[ . 1 . 2 . ]" 1
194 1 20 ASP H 1 20 ASP HA 3.000 . 3.040 3.030 2.915 3.055 0.015 1 0 "[ . 1 . 2 . ]" 1
195 1 20 ASP H 1 20 ASP HB2 5.000 2.500 5.000 2.887 2.494 3.176 0.006 13 0 "[ . 1 . 2 . ]" 1
196 1 20 ASP H 1 20 ASP HB3 5.000 2.500 5.000 3.084 2.690 3.499 . 0 0 "[ . 1 . 2 . ]" 1
197 1 20 ASP H 1 21 LYS H 3.000 . 3.000 2.036 1.898 2.724 . 0 0 "[ . 1 . 2 . ]" 1
198 1 20 ASP HA 1 20 ASP HB2 3.000 . 3.000 2.759 2.612 2.959 . 0 0 "[ . 1 . 2 . ]" 1
199 1 20 ASP HA 1 20 ASP HB3 3.000 . 3.100 3.055 2.927 3.102 0.002 5 0 "[ . 1 . 2 . ]" 1
200 1 20 ASP HA 1 21 LYS H 4.000 2.500 4.000 3.509 3.379 3.554 . 0 0 "[ . 1 . 2 . ]" 1
201 1 20 ASP HA 1 22 ALA H 5.000 3.500 5.000 4.240 3.494 4.640 0.006 1 0 "[ . 1 . 2 . ]" 1
202 1 20 ASP HA 1 22 ALA MB 5.000 3.500 6.600 4.997 4.579 5.370 . 0 0 "[ . 1 . 2 . ]" 1
203 1 20 ASP HA 1 23 ARG H 4.000 2.500 4.000 3.540 3.050 3.933 . 0 0 "[ . 1 . 2 . ]" 1
204 1 20 ASP HA 1 23 ARG QB 3.000 . 4.000 2.744 1.896 3.413 . 0 0 "[ . 1 . 2 . ]" 1
205 1 20 ASP HA 1 23 ARG HD2 4.000 2.500 4.030 3.649 2.493 4.082 0.052 13 0 "[ . 1 . 2 . ]" 1
206 1 20 ASP HA 1 23 ARG HD3 4.000 2.500 4.200 3.352 2.499 4.281 0.081 1 0 "[ . 1 . 2 . ]" 1
207 1 20 ASP HA 1 23 ARG HE 5.000 3.500 6.000 5.419 3.640 6.043 0.043 28 0 "[ . 1 . 2 . ]" 1
208 1 20 ASP HA 1 23 ARG QG 4.000 2.480 5.040 3.823 1.777 4.562 0.703 25 3 "[ . 1 -* . 2 + ]" 1
209 1 20 ASP HB2 1 21 LYS H 4.000 2.500 4.000 3.522 2.871 4.026 0.026 13 0 "[ . 1 . 2 . ]" 1
210 1 20 ASP HB3 1 21 LYS H 4.000 2.500 4.000 2.633 2.498 3.404 0.002 28 0 "[ . 1 . 2 . ]" 1
211 1 21 LYS H 1 21 LYS HA 3.000 . 3.030 2.995 2.894 3.033 0.003 1 0 "[ . 1 . 2 . ]" 1
212 1 21 LYS H 1 21 LYS QD 4.000 . 4.000 3.062 2.527 3.519 . 0 0 "[ . 1 . 2 . ]" 1
213 1 21 LYS H 1 21 LYS QG 4.000 2.500 5.000 3.047 1.687 4.072 0.813 21 4 "[ *.- 1 . * 2+ . ]" 1
214 1 21 LYS H 1 22 ALA H 3.000 . 3.000 2.410 2.256 2.713 . 0 0 "[ . 1 . 2 . ]" 1
215 1 21 LYS HA 1 21 LYS QG 3.000 . 4.000 3.030 2.314 3.595 . 0 0 "[ . 1 . 2 . ]" 1
216 1 21 LYS HA 1 22 ALA H 4.000 2.500 4.000 3.467 3.289 3.543 . 0 0 "[ . 1 . 2 . ]" 1
217 1 21 LYS QB 1 21 LYS QD 3.000 . 5.000 2.414 2.073 2.822 . 0 0 "[ . 1 . 2 . ]" 1
218 1 21 LYS QB 1 22 ALA H 4.000 2.500 5.000 3.173 2.411 3.680 0.089 13 0 "[ . 1 . 2 . ]" 1
219 1 21 LYS QB 1 25 LEU H 5.000 3.500 6.300 5.172 4.607 5.702 . 0 0 "[ . 1 . 2 . ]" 1
220 1 21 LYS QD 1 22 ALA H 4.000 2.500 5.150 3.589 1.897 4.568 0.603 8 2 "[ . + 1 . 2 - ]" 1
221 1 21 LYS QE 1 25 LEU MD1 5.000 . 7.700 4.926 4.107 5.547 . 0 0 "[ . 1 . 2 . ]" 1
222 1 21 LYS QE 1 25 LEU MD2 5.000 . 7.750 5.351 4.512 5.748 . 0 0 "[ . 1 . 2 . ]" 1
223 1 21 LYS QG 1 22 ALA H 5.000 3.380 6.000 3.367 2.492 4.980 0.888 2 12 "[ +* ** *1* ** -*2 . **]" 1
224 1 21 LYS QG 1 25 LEU H 5.000 3.500 6.700 5.291 4.064 6.116 . 0 0 "[ . 1 . 2 . ]" 1
225 1 22 ALA H 1 22 ALA HA 3.000 . 3.030 2.980 2.859 3.047 0.017 1 0 "[ . 1 . 2 . ]" 1
226 1 22 ALA H 1 22 ALA MB 3.000 . 4.500 2.294 2.262 2.648 . 0 0 "[ . 1 . 2 . ]" 1
227 1 22 ALA H 1 23 ARG H 3.000 . 3.000 2.515 2.271 2.842 . 0 0 "[ . 1 . 2 . ]" 1
228 1 22 ALA HA 1 25 LEU H 4.000 2.500 4.200 3.528 3.125 4.042 . 0 0 "[ . 1 . 2 . ]" 1
229 1 22 ALA HA 1 25 LEU HB2 5.000 3.500 5.250 4.252 3.919 4.984 . 0 0 "[ . 1 . 2 . ]" 1
230 1 22 ALA HA 1 25 LEU HB3 4.000 2.500 4.000 2.622 2.496 3.442 0.004 28 0 "[ . 1 . 2 . ]" 1
231 1 22 ALA HA 1 25 LEU MD1 4.000 2.500 5.500 3.806 3.117 4.573 . 0 0 "[ . 1 . 2 . ]" 1
232 1 22 ALA HA 1 25 LEU MD2 3.000 . 4.500 2.152 1.432 2.959 0.368 26 0 "[ . 1 . 2 . ]" 1
233 1 22 ALA HA 1 26 ILE H 5.000 3.500 5.000 3.930 3.490 4.250 0.010 28 0 "[ . 1 . 2 . ]" 1
234 1 22 ALA MB 1 23 ARG H 3.000 . 4.500 2.963 2.676 3.661 . 0 0 "[ . 1 . 2 . ]" 1
235 1 22 ALA MB 1 25 LEU H 4.000 2.500 5.900 4.856 4.641 5.064 . 0 0 "[ . 1 . 2 . ]" 1
236 1 22 ALA MB 1 26 ILE H 4.000 3.500 6.000 4.668 4.297 4.902 . 0 0 "[ . 1 . 2 . ]" 1
237 1 22 ALA MB 1 26 ILE MD 4.000 2.500 7.000 2.790 2.468 3.118 0.032 10 0 "[ . 1 . 2 . ]" 1
238 1 23 ARG H 1 23 ARG HA 3.000 . 3.040 2.947 2.851 3.051 0.011 20 0 "[ . 1 . 2 . ]" 1
239 1 23 ARG H 1 23 ARG QB 3.000 . 4.000 2.191 2.061 2.723 . 0 0 "[ . 1 . 2 . ]" 1
240 1 23 ARG H 1 23 ARG QG 4.000 2.500 5.000 3.738 2.141 4.454 0.359 12 0 "[ . 1 . 2 . ]" 1
241 1 23 ARG HA 1 23 ARG HD2 4.000 2.500 4.150 3.363 2.499 4.300 0.150 1 0 "[ . 1 . 2 . ]" 1
242 1 23 ARG HA 1 23 ARG HD3 4.000 2.500 4.130 4.054 3.635 4.163 0.033 17 0 "[ . 1 . 2 . ]" 1
243 1 23 ARG HA 1 23 ARG QG 3.000 . 4.000 2.453 2.109 3.047 . 0 0 "[ . 1 . 2 . ]" 1
244 1 23 ARG HA 1 25 LEU H 5.000 3.500 5.000 4.642 3.497 4.903 0.003 10 0 "[ . 1 . 2 . ]" 1
245 1 23 ARG HA 1 26 ILE H 4.000 2.500 4.000 3.622 3.107 3.972 . 0 0 "[ . 1 . 2 . ]" 1
246 1 23 ARG HA 1 26 ILE MD 3.000 . 4.500 2.401 1.857 3.202 . 0 0 "[ . 1 . 2 . ]" 1
247 1 23 ARG HA 1 26 ILE MG 3.000 . 4.800 3.760 2.756 3.972 . 0 0 "[ . 1 . 2 . ]" 1
248 1 23 ARG HA 1 27 SER H 5.000 3.500 5.000 4.910 4.524 5.063 0.063 28 0 "[ . 1 . 2 . ]" 1
249 1 23 ARG QB 1 23 ARG HD2 3.000 . 4.000 2.716 2.240 3.471 . 0 0 "[ . 1 . 2 . ]" 1
250 1 23 ARG QB 1 23 ARG HD3 3.000 . 4.000 2.718 2.006 3.400 . 0 0 "[ . 1 . 2 . ]" 1
251 1 23 ARG QB 1 23 ARG HE 4.000 2.500 5.000 3.774 2.090 4.339 0.410 12 0 "[ . 1 . 2 . ]" 1
252 1 23 ARG HD2 1 23 ARG HE 4.000 2.500 4.000 2.791 2.484 3.060 0.016 28 0 "[ . 1 . 2 . ]" 1
253 1 23 ARG HD3 1 23 ARG HE 4.000 2.500 4.000 2.867 2.487 3.043 0.013 26 0 "[ . 1 . 2 . ]" 1
254 1 23 ARG HE 1 23 ARG QG 4.000 2.470 5.000 2.382 2.009 3.123 0.461 21 0 "[ . 1 . 2 . ]" 1
255 1 24 GLU H 1 24 GLU HB3 5.747 2.500 4.000 3.595 2.496 4.218 0.218 10 0 "[ . 1 . 2 . ]" 1
256 1 24 GLU H 1 25 LEU H 3.000 . 3.000 2.459 2.133 3.042 0.042 10 0 "[ . 1 . 2 . ]" 1
257 1 24 GLU HA 1 24 GLU HB2 3.000 . 3.080 3.017 2.464 3.087 0.007 1 0 "[ . 1 . 2 . ]" 1
258 1 24 GLU HA 1 24 GLU HB3 3.000 . 3.000 2.532 2.390 3.089 0.089 21 0 "[ . 1 . 2 . ]" 1
259 1 24 GLU HA 1 24 GLU HG2 3.000 . 3.050 3.062 2.872 3.222 0.172 13 0 "[ . 1 . 2 . ]" 1
260 1 24 GLU HA 1 24 GLU HG3 3.000 . 3.080 3.023 2.482 3.119 0.039 1 0 "[ . 1 . 2 . ]" 1
261 1 24 GLU HB2 1 25 LEU H 4.000 2.500 4.000 2.682 2.499 3.818 0.001 18 0 "[ . 1 . 2 . ]" 1
262 1 24 GLU HB3 1 25 LEU H 4.000 2.500 4.000 3.622 2.483 3.978 0.017 21 0 "[ . 1 . 2 . ]" 1
263 1 24 GLU HG2 1 25 LEU H 5.000 3.460 5.040 4.856 3.427 5.120 0.080 10 0 "[ . 1 . 2 . ]" 1
264 1 25 LEU H 1 25 LEU HB2 3.000 . 3.400 3.110 2.693 3.401 0.001 7 0 "[ . 1 . 2 . ]" 1
265 1 25 LEU H 1 25 LEU HB3 3.000 . 3.000 2.200 2.118 2.472 . 0 0 "[ . 1 . 2 . ]" 1
266 1 25 LEU H 1 25 LEU MD1 3.000 . 5.400 4.449 4.362 4.531 . 0 0 "[ . 1 . 2 . ]" 1
267 1 25 LEU H 1 25 LEU MD2 4.000 2.500 5.500 3.650 3.169 4.285 . 0 0 "[ . 1 . 2 . ]" 1
268 1 25 LEU H 1 25 LEU HG 4.000 2.500 4.600 4.527 4.286 4.618 0.018 23 0 "[ . 1 . 2 . ]" 1
269 1 25 LEU H 1 26 ILE H 3.000 . 3.000 2.578 2.257 2.715 . 0 0 "[ . 1 . 2 . ]" 1
270 1 25 LEU H 1 28 ARG H 5.000 3.500 5.070 4.983 4.724 5.339 0.269 28 0 "[ . 1 . 2 . ]" 1
271 1 25 LEU HA 1 26 ILE H 4.000 2.500 4.000 3.451 3.428 3.516 . 0 0 "[ . 1 . 2 . ]" 1
272 1 25 LEU HA 1 29 ILE MD 5.000 3.500 7.000 4.546 3.723 5.046 . 0 0 "[ . 1 . 2 . ]" 1
273 1 25 LEU MD1 1 28 ARG HD2 5.000 2.500 7.200 3.654 2.415 5.252 0.085 1 0 "[ . 1 . 2 . ]" 1
274 1 25 LEU MD1 1 28 ARG HD3 5.000 2.500 7.200 3.822 2.978 4.685 . 0 0 "[ . 1 . 2 . ]" 1
275 1 25 LEU MD1 1 28 ARG HE 5.000 3.500 7.000 5.018 2.534 5.633 0.966 23 1 "[ . 1 . 2 + . ]" 1
276 1 25 LEU MD2 1 28 ARG H 5.000 3.500 6.700 5.052 4.683 5.541 . 0 0 "[ . 1 . 2 . ]" 1
277 1 25 LEU MD2 1 28 ARG HD2 5.000 2.500 7.200 5.352 4.498 6.078 . 0 0 "[ . 1 . 2 . ]" 1
278 1 25 LEU MD2 1 28 ARG HD3 5.000 2.500 7.200 5.309 4.282 6.006 . 0 0 "[ . 1 . 2 . ]" 1
279 1 25 LEU HG 1 26 ILE H 5.000 3.500 5.000 4.021 3.619 4.332 . 0 0 "[ . 1 . 2 . ]" 1
280 1 25 LEU HG 1 26 ILE HA 4.000 2.500 4.000 3.800 3.506 4.032 0.032 23 0 "[ . 1 . 2 . ]" 1
281 1 25 LEU HG 1 29 ILE HA 5.000 3.500 5.030 5.039 4.855 5.089 0.059 28 0 "[ . 1 . 2 . ]" 1
282 1 26 ILE H 1 26 ILE HA 3.000 . 3.000 2.946 2.912 2.985 . 0 0 "[ . 1 . 2 . ]" 1
283 1 26 ILE H 1 26 ILE HB 3.000 . 3.000 2.217 2.168 2.312 . 0 0 "[ . 1 . 2 . ]" 1
284 1 26 ILE H 1 26 ILE MD 3.000 . 4.500 3.566 3.456 3.644 . 0 0 "[ . 1 . 2 . ]" 1
285 1 26 ILE H 1 26 ILE HG12 4.000 . 4.500 4.433 4.221 4.545 0.045 28 0 "[ . 1 . 2 . ]" 1
286 1 26 ILE H 1 26 ILE HG13 4.000 . 4.000 3.282 2.950 3.483 . 0 0 "[ . 1 . 2 . ]" 1
287 1 26 ILE H 1 26 ILE MG 3.000 . 4.570 3.713 3.621 3.827 . 0 0 "[ . 1 . 2 . ]" 1
288 1 26 ILE H 1 27 SER H 4.000 2.500 4.000 2.640 2.499 4.479 0.479 28 0 "[ . 1 . 2 . ]" 1
289 1 26 ILE H 1 28 ARG H 5.000 3.500 5.000 3.990 3.751 4.313 . 0 0 "[ . 1 . 2 . ]" 1
290 1 26 ILE HA 1 26 ILE HB 3.000 . 3.070 3.015 2.984 3.055 . 0 0 "[ . 1 . 2 . ]" 1
291 1 26 ILE HA 1 26 ILE HG12 3.000 . 3.240 2.863 2.796 2.932 . 0 0 "[ . 1 . 2 . ]" 1
292 1 26 ILE HA 1 26 ILE HG13 3.000 . 3.000 2.450 2.362 2.649 . 0 0 "[ . 1 . 2 . ]" 1
293 1 26 ILE HA 1 26 ILE MG 3.000 . 4.500 2.901 2.782 2.970 . 0 0 "[ . 1 . 2 . ]" 1
294 1 26 ILE HA 1 27 SER H 4.000 2.500 4.000 3.447 2.480 3.509 0.020 28 0 "[ . 1 . 2 . ]" 1
295 1 26 ILE HA 1 27 SER HA 5.000 3.500 5.000 4.736 4.568 4.797 . 0 0 "[ . 1 . 2 . ]" 1
296 1 26 ILE HA 1 28 ARG H 5.000 3.500 5.000 4.056 3.493 4.388 0.007 28 0 "[ . 1 . 2 . ]" 1
297 1 26 ILE HA 1 29 ILE H 4.000 2.500 4.000 2.898 2.493 3.081 0.007 28 0 "[ . 1 . 2 . ]" 1
298 1 26 ILE HA 1 29 ILE HB 3.000 . 3.000 2.032 1.914 2.199 . 0 0 "[ . 1 . 2 . ]" 1
299 1 26 ILE HA 1 29 ILE HG12 4.000 2.500 4.020 3.255 2.728 4.030 0.010 27 0 "[ . 1 . 2 . ]" 1
300 1 26 ILE HA 1 29 ILE HG13 4.000 2.500 4.030 3.935 3.612 4.039 0.009 11 0 "[ . 1 . 2 . ]" 1
301 1 26 ILE HA 1 29 ILE MG 3.000 . 4.500 3.538 3.395 3.657 . 0 0 "[ . 1 . 2 . ]" 1
302 1 26 ILE HA 1 30 LYS H 4.000 2.500 4.150 4.139 3.762 4.178 0.028 21 0 "[ . 1 . 2 . ]" 1
303 1 26 ILE HB 1 26 ILE MD 3.000 . 4.500 2.346 2.327 2.368 . 0 0 "[ . 1 . 2 . ]" 1
304 1 26 ILE HB 1 26 ILE HG13 4.750 . 3.000 2.690 2.651 2.725 . 0 0 "[ . 1 . 2 . ]" 1
305 1 26 ILE HB 1 27 SER H 4.000 2.500 4.000 3.084 2.926 3.739 . 0 0 "[ . 1 . 2 . ]" 1
306 1 26 ILE MD 1 27 SER H 5.000 3.500 6.500 4.900 4.593 5.019 . 0 0 "[ . 1 . 2 . ]" 1
307 1 26 ILE MD 1 27 SER QB 5.000 3.500 8.220 5.991 5.804 6.081 . 0 0 "[ . 1 . 2 . ]" 1
308 1 26 ILE MG 1 27 SER H 3.000 . 4.500 2.998 1.711 3.317 0.089 28 0 "[ . 1 . 2 . ]" 1
309 1 26 ILE MG 1 30 LYS H 4.000 2.500 5.500 4.171 3.998 4.343 . 0 0 "[ . 1 . 2 . ]" 1
310 1 27 SER H 1 27 SER HA 3.000 . 3.000 2.930 2.400 2.985 . 0 0 "[ . 1 . 2 . ]" 1
311 1 27 SER H 1 27 SER QB 3.000 . 4.000 2.248 2.159 3.194 . 0 0 "[ . 1 . 2 . ]" 1
312 1 27 SER HA 1 30 LYS H 4.000 2.500 4.000 3.505 3.166 3.790 . 0 0 "[ . 1 . 2 . ]" 1
313 1 27 SER HA 1 30 LYS QB 3.000 . 4.000 3.156 2.670 3.560 . 0 0 "[ . 1 . 2 . ]" 1
314 1 27 SER HA 1 30 LYS QD 4.000 2.500 5.000 3.243 2.441 4.164 0.059 25 0 "[ . 1 . 2 . ]" 1
315 1 27 SER QB 1 28 ARG H 5.000 3.500 6.000 3.002 2.906 3.312 0.594 20 18 "[ *-** ** 1****.* * +* *.***]" 1
316 1 28 ARG H 1 28 ARG HB2 3.000 . 3.000 2.731 2.186 3.029 0.029 23 0 "[ . 1 . 2 . ]" 1
317 1 28 ARG H 1 28 ARG HB3 3.000 . 3.000 2.388 2.124 2.958 . 0 0 "[ . 1 . 2 . ]" 1
318 1 28 ARG H 1 28 ARG QG 5.000 3.500 6.000 4.080 3.842 4.155 . 0 0 "[ . 1 . 2 . ]" 1
319 1 28 ARG H 1 29 ILE H 3.000 . 3.000 2.534 2.360 2.763 . 0 0 "[ . 1 . 2 . ]" 1
320 1 28 ARG H 1 30 LYS H 5.000 3.500 5.000 4.281 4.054 4.481 . 0 0 "[ . 1 . 2 . ]" 1
321 1 28 ARG HA 1 28 ARG HB2 4.754 . 3.000 2.485 2.333 2.762 . 0 0 "[ . 1 . 2 . ]" 1
322 1 28 ARG HA 1 28 ARG HD2 5.783 3.500 5.100 4.764 4.482 5.079 . 0 0 "[ . 1 . 2 . ]" 1
323 1 28 ARG HA 1 29 ILE H 4.000 2.500 4.000 3.450 3.416 3.476 . 0 0 "[ . 1 . 2 . ]" 1
324 1 28 ARG HA 1 29 ILE HA 5.000 3.500 5.000 4.710 4.661 4.838 . 0 0 "[ . 1 . 2 . ]" 1
325 1 28 ARG HB2 1 28 ARG HD2 4.000 . 4.000 2.995 2.373 3.621 . 0 0 "[ . 1 . 2 . ]" 1
326 1 28 ARG HB2 1 28 ARG HD3 4.000 . 4.000 3.674 2.198 4.017 0.017 4 0 "[ . 1 . 2 . ]" 1
327 1 28 ARG HB3 1 28 ARG HD2 4.000 . 4.000 2.540 2.125 3.944 . 0 0 "[ . 1 . 2 . ]" 1
328 1 28 ARG HB3 1 28 ARG HD3 4.000 . 4.000 2.862 2.129 3.669 . 0 0 "[ . 1 . 2 . ]" 1
329 1 28 ARG HD2 1 28 ARG HE 3.000 . 3.000 2.746 2.350 3.028 0.028 19 0 "[ . 1 . 2 . ]" 1
330 1 28 ARG HD3 1 28 ARG HE 3.000 . 3.000 2.708 2.346 3.015 0.015 18 0 "[ . 1 . 2 . ]" 1
331 1 28 ARG HE 1 28 ARG QG 4.000 2.500 5.000 2.646 2.021 3.089 0.479 5 0 "[ . 1 . 2 . ]" 1
332 1 29 ILE H 1 29 ILE HB 3.000 . 3.000 2.276 2.211 2.309 . 0 0 "[ . 1 . 2 . ]" 1
333 1 29 ILE H 1 29 ILE HG13 5.750 2.500 4.700 4.193 3.321 4.635 . 0 0 "[ . 1 . 2 . ]" 1
334 1 29 ILE H 1 29 ILE MG 3.000 . 4.530 3.759 3.687 3.795 . 0 0 "[ . 1 . 2 . ]" 1
335 1 29 ILE H 1 30 LYS H 3.000 . 3.000 2.360 2.192 2.644 . 0 0 "[ . 1 . 2 . ]" 1
336 1 29 ILE H 1 31 GLN H 5.000 3.500 5.000 3.986 3.731 4.308 . 0 0 "[ . 1 . 2 . ]" 1
337 1 29 ILE HA 1 29 ILE HB 3.000 . 3.060 3.036 3.014 3.045 . 0 0 "[ . 1 . 2 . ]" 1
338 1 29 ILE HA 1 29 ILE MD 3.000 . 4.500 2.493 1.924 3.793 . 0 0 "[ . 1 . 2 . ]" 1
339 1 29 ILE HA 1 29 ILE HG12 3.000 . 3.450 3.383 3.104 3.469 0.019 28 0 "[ . 1 . 2 . ]" 1
340 1 29 ILE HA 1 29 ILE HG13 3.000 . 3.490 3.112 2.209 3.510 0.020 11 0 "[ . 1 . 2 . ]" 1
341 1 29 ILE HA 1 29 ILE MG 3.000 . 4.500 2.835 2.806 2.903 . 0 0 "[ . 1 . 2 . ]" 1
342 1 29 ILE HA 1 30 LYS H 4.000 2.500 4.000 3.479 3.457 3.513 . 0 0 "[ . 1 . 2 . ]" 1
343 1 29 ILE HA 1 30 LYS HA 5.000 3.500 5.000 4.816 4.725 4.898 . 0 0 "[ . 1 . 2 . ]" 1
344 1 29 ILE HA 1 31 GLN H 5.000 3.500 5.000 4.028 3.780 4.369 . 0 0 "[ . 1 . 2 . ]" 1
345 1 29 ILE HA 1 32 SER H 5.000 3.500 5.000 4.438 3.870 4.813 . 0 0 "[ . 1 . 2 . ]" 1
346 1 29 ILE HA 1 33 GLU QG 5.000 3.500 6.000 4.676 3.833 5.414 . 0 0 "[ . 1 . 2 . ]" 1
347 1 29 ILE HB 1 29 ILE MD 3.000 . 4.500 2.930 2.301 3.236 . 0 0 "[ . 1 . 2 . ]" 1
348 1 29 ILE HB 1 29 ILE HG13 4.750 . 3.000 2.814 2.775 2.932 . 0 0 "[ . 1 . 2 . ]" 1
349 1 29 ILE HB 1 30 LYS H 4.000 2.500 4.000 2.956 2.818 3.091 . 0 0 "[ . 1 . 2 . ]" 1
350 1 29 ILE MD 1 30 LYS H 4.000 2.500 5.580 4.571 4.548 4.592 . 0 0 "[ . 1 . 2 . ]" 1
351 1 29 ILE MG 1 30 LYS H 4.000 2.500 5.500 3.163 2.785 3.337 . 0 0 "[ . 1 . 2 . ]" 1
352 1 29 ILE MG 1 32 SER H 5.000 3.500 6.500 4.701 4.341 4.997 . 0 0 "[ . 1 . 2 . ]" 1
353 1 30 LYS H 1 30 LYS HA 3.000 . 3.000 2.921 2.851 2.994 . 0 0 "[ . 1 . 2 . ]" 1
354 1 30 LYS H 1 30 LYS QB 3.000 . 4.000 2.248 2.082 2.762 . 0 0 "[ . 1 . 2 . ]" 1
355 1 30 LYS H 1 30 LYS QD 3.000 . 4.000 2.888 1.916 3.646 . 0 0 "[ . 1 . 2 . ]" 1
356 1 30 LYS H 1 31 GLN H 3.000 . 3.000 2.641 2.377 2.828 . 0 0 "[ . 1 . 2 . ]" 1
357 1 30 LYS HA 1 30 LYS QG 3.000 . 4.000 2.940 2.206 3.597 . 0 0 "[ . 1 . 2 . ]" 1
358 1 30 LYS HA 1 31 GLN H 4.000 2.500 4.000 3.499 3.467 3.532 . 0 0 "[ . 1 . 2 . ]" 1
359 1 30 LYS HA 1 33 GLU QG 5.000 3.500 6.000 4.024 2.943 5.253 0.557 18 1 "[ . 1 . + 2 . ]" 1
360 1 30 LYS QB 1 31 GLN H 4.000 2.500 5.000 3.021 2.571 3.546 . 0 0 "[ . 1 . 2 . ]" 1
361 1 30 LYS QD 1 31 GLN H 4.000 2.500 5.000 3.424 2.043 4.437 0.457 8 0 "[ . 1 . 2 . ]" 1
362 1 31 GLN H 1 31 GLN HB2 3.000 . 3.000 2.264 2.232 2.281 . 0 0 "[ . 1 . 2 . ]" 1
363 1 31 GLN H 1 31 GLN HB3 3.000 . 3.000 2.986 2.954 3.000 . 0 0 "[ . 1 . 2 . ]" 1
364 1 31 GLN H 1 31 GLN HG2 4.000 2.500 4.650 4.644 4.594 4.676 0.026 11 0 "[ . 1 . 2 . ]" 1
365 1 31 GLN H 1 31 GLN HG3 4.000 2.500 4.320 4.315 4.275 4.333 0.013 28 0 "[ . 1 . 2 . ]" 1
366 1 31 GLN HA 1 31 GLN HB2 3.000 . 3.000 2.804 2.790 2.812 . 0 0 "[ . 1 . 2 . ]" 1
367 1 31 GLN HA 1 31 GLN HB3 3.000 . 3.020 3.019 3.014 3.026 0.006 22 0 "[ . 1 . 2 . ]" 1
368 1 31 GLN HA 1 31 GLN HG2 3.000 . 3.000 2.515 2.427 2.623 . 0 0 "[ . 1 . 2 . ]" 1
369 1 31 GLN HA 1 31 GLN HG3 3.000 . 3.000 2.825 2.683 2.963 . 0 0 "[ . 1 . 2 . ]" 1
370 1 31 GLN HA 1 32 SER H 3.000 . 3.000 2.764 2.633 2.998 . 0 0 "[ . 1 . 2 . ]" 1
371 1 32 SER H 1 32 SER HA 3.000 . 3.000 2.936 2.869 2.989 . 0 0 "[ . 1 . 2 . ]" 1
372 1 32 SER H 1 32 SER HB2 5.756 2.500 4.200 3.534 3.058 4.210 0.010 1 0 "[ . 1 . 2 . ]" 1
373 1 32 SER H 1 33 GLU H 3.000 . 3.000 2.191 1.899 3.021 0.021 19 0 "[ . 1 . 2 . ]" 1
374 1 32 SER H 1 34 LEU H 5.000 3.500 5.030 4.441 3.895 5.049 0.019 19 0 "[ . 1 . 2 . ]" 1
375 1 32 SER HA 1 33 GLU H 3.000 . 3.000 2.732 2.429 3.381 0.381 19 0 "[ . 1 . 2 . ]" 1
376 1 32 SER HA 1 33 GLU QG 4.000 2.500 6.040 5.409 5.320 5.939 . 0 0 "[ . 1 . 2 . ]" 1
377 1 32 SER HA 1 34 LEU H 5.000 3.300 5.000 3.399 3.296 3.861 0.004 28 0 "[ . 1 . 2 . ]" 1
378 1 32 SER HA 1 34 LEU QD 5.000 3.500 6.500 2.805 2.375 3.976 1.125 21 26 "[*********** ********+-**** *]" 1
379 1 32 SER HB2 1 33 GLU H 4.756 3.500 5.000 4.441 3.468 4.650 0.032 19 0 "[ . 1 . 2 . ]" 1
380 1 33 GLU H 1 33 GLU HA 3.000 . 3.070 3.044 2.393 3.074 0.004 13 0 "[ . 1 . 2 . ]" 1
381 1 33 GLU H 1 33 GLU HB2 3.000 . 3.000 2.504 2.300 2.960 . 0 0 "[ . 1 . 2 . ]" 1
382 1 33 GLU H 1 33 GLU HB3 3.000 . 3.400 3.424 3.362 3.729 0.329 19 0 "[ . 1 . 2 . ]" 1
383 1 33 GLU H 1 33 GLU QG 3.000 . 4.330 3.931 3.711 3.998 . 0 0 "[ . 1 . 2 . ]" 1
384 1 33 GLU H 1 34 LEU H 3.000 . 3.000 2.425 2.120 2.734 . 0 0 "[ . 1 . 2 . ]" 1
385 1 33 GLU H 1 35 SER H 5.000 3.500 5.000 4.558 3.998 5.053 0.053 21 0 "[ . 1 . 2 . ]" 1
386 1 33 GLU HA 1 33 GLU HB2 3.000 . 3.020 2.960 2.771 2.995 . 0 0 "[ . 1 . 2 . ]" 1
387 1 33 GLU HA 1 33 GLU HB3 3.000 . 3.000 2.910 2.863 3.047 0.047 19 0 "[ . 1 . 2 . ]" 1
388 1 33 GLU HA 1 33 GLU QG 3.000 . 4.000 2.217 2.184 2.299 . 0 0 "[ . 1 . 2 . ]" 1
389 1 33 GLU HA 1 34 LEU H 3.000 . 3.010 2.955 2.841 3.079 0.069 21 0 "[ . 1 . 2 . ]" 1
390 1 33 GLU HB2 1 34 LEU H 4.000 2.500 4.190 4.184 4.017 4.281 0.091 19 0 "[ . 1 . 2 . ]" 1
391 1 33 GLU HB3 1 34 LEU H 4.000 2.500 4.170 4.164 3.842 4.246 0.076 18 0 "[ . 1 . 2 . ]" 1
392 1 33 GLU QG 1 34 LEU H 4.000 2.500 5.350 4.753 4.724 4.793 . 0 0 "[ . 1 . 2 . ]" 1
393 1 34 LEU H 1 34 LEU HA 3.000 . 3.060 3.002 2.857 3.068 0.008 2 0 "[ . 1 . 2 . ]" 1
394 1 34 LEU H 1 34 LEU QB 3.000 . 4.000 2.927 2.583 3.353 . 0 0 "[ . 1 . 2 . ]" 1
395 1 34 LEU H 1 34 LEU QD 3.000 . 4.500 1.754 1.357 3.181 0.443 21 0 "[ . 1 . 2 . ]" 1
396 1 34 LEU H 1 34 LEU HG 3.000 . 3.080 2.779 2.223 3.369 0.289 21 0 "[ . 1 . 2 . ]" 1
397 1 34 LEU H 1 35 SER H 3.000 . 3.000 2.360 1.898 3.007 0.007 21 0 "[ . 1 . 2 . ]" 1
398 1 34 LEU H 1 36 ALA H 5.000 3.500 5.000 4.131 3.461 4.840 0.039 14 0 "[ . 1 . 2 . ]" 1
399 1 34 LEU HA 1 34 LEU QD 3.000 . 4.650 3.443 2.980 3.559 . 0 0 "[ . 1 . 2 . ]" 1
400 1 34 LEU HA 1 34 LEU HG 4.000 2.500 4.000 3.826 3.703 4.252 0.252 21 0 "[ . 1 . 2 . ]" 1
401 1 34 LEU HA 1 36 ALA H 4.000 2.500 4.160 4.195 3.828 4.472 0.312 14 0 "[ . 1 . 2 . ]" 1
402 1 34 LEU QB 1 35 SER H 3.000 . 4.000 3.314 2.025 3.777 . 0 0 "[ . 1 . 2 . ]" 1
403 1 34 LEU QB 1 35 SER HA 5.000 3.500 6.000 4.834 3.830 5.396 . 0 0 "[ . 1 . 2 . ]" 1
404 1 34 LEU QD 1 35 SER HA 5.000 3.500 5.940 4.170 2.598 4.643 0.902 27 1 "[ . 1 . 2 . + ]" 1
405 1 34 LEU QD 1 36 ALA HA 5.000 3.500 6.500 3.345 2.505 4.586 0.995 7 8 "[ *-* + 1 * . *** . ]" 1
406 1 34 LEU HG 1 35 SER H 3.000 . 3.000 2.139 1.891 3.043 0.043 21 0 "[ . 1 . 2 . ]" 1
407 1 34 LEU HG 1 35 SER HA 5.000 3.480 5.000 3.846 3.479 5.093 0.093 21 0 "[ . 1 . 2 . ]" 1
408 1 35 SER H 1 35 SER QB 3.000 . 4.000 3.274 2.948 3.657 . 0 0 "[ . 1 . 2 . ]" 1
409 1 35 SER H 1 36 ALA H 3.000 . 3.000 2.501 1.927 3.000 0.000 27 0 "[ . 1 . 2 . ]" 1
410 1 35 SER H 1 37 LYS H 5.000 3.500 5.000 4.821 4.044 5.012 0.012 26 0 "[ . 1 . 2 . ]" 1
411 1 35 SER H 1 38 MET H 5.000 3.500 5.130 4.982 4.215 5.195 0.065 6 0 "[ . 1 . 2 . ]" 1
412 1 35 SER HA 1 36 ALA H 3.000 . 3.080 2.881 2.716 3.119 0.039 19 0 "[ . 1 . 2 . ]" 1
413 1 35 SER HA 1 38 MET H 4.000 3.500 5.040 4.481 3.487 5.195 0.155 2 0 "[ . 1 . 2 . ]" 1
414 1 35 SER QB 1 36 ALA H 4.000 2.500 5.000 3.848 3.611 4.068 . 0 0 "[ . 1 . 2 . ]" 1
415 1 36 ALA H 1 36 ALA HA 3.000 . 3.050 2.697 2.379 3.064 0.014 15 0 "[ . 1 . 2 . ]" 1
416 1 36 ALA H 1 36 ALA MB 3.000 . 4.500 2.681 2.254 3.181 . 0 0 "[ . 1 . 2 . ]" 1
417 1 36 ALA H 1 37 LYS H 3.000 . 3.010 2.828 2.012 3.030 0.020 18 0 "[ . 1 . 2 . ]" 1
418 1 36 ALA H 1 38 MET H 4.000 2.500 4.000 3.595 2.714 4.036 0.036 21 0 "[ . 1 . 2 . ]" 1
419 1 36 ALA MB 1 37 LYS H 3.000 . 4.500 2.777 1.915 3.767 . 0 0 "[ . 1 . 2 . ]" 1
420 1 36 ALA MB 1 38 MET H 4.000 2.500 5.500 3.981 2.960 4.539 . 0 0 "[ . 1 . 2 . ]" 1
421 1 37 LYS H 1 37 LYS HB2 4.000 . 4.000 3.298 2.291 4.024 0.024 21 0 "[ . 1 . 2 . ]" 1
422 1 37 LYS H 1 37 LYS HB3 4.000 . 4.000 3.312 2.179 4.005 0.005 18 0 "[ . 1 . 2 . ]" 1
423 1 37 LYS H 1 37 LYS QG 4.000 2.500 5.000 3.793 2.233 4.500 0.267 22 0 "[ . 1 . 2 . ]" 1
424 1 37 LYS H 1 38 MET H 3.000 . 3.000 2.268 1.897 2.875 . 0 0 "[ . 1 . 2 . ]" 1
425 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.000 2.676 2.302 3.013 0.013 21 0 "[ . 1 . 2 . ]" 1
426 1 37 LYS HA 1 37 LYS HB3 3.000 . 3.030 2.925 2.324 3.088 0.058 17 0 "[ . 1 . 2 . ]" 1
427 1 38 MET H 1 38 MET HB2 3.000 . 3.220 2.706 2.145 3.241 0.021 9 0 "[ . 1 . 2 . ]" 1
428 1 38 MET H 1 38 MET HB3 3.000 . 3.200 2.673 2.116 3.220 0.020 2 0 "[ . 1 . 2 . ]" 1
429 1 38 MET H 1 38 MET HG2 4.000 2.500 4.280 4.197 3.967 4.312 0.032 9 0 "[ . 1 . 2 . ]" 1
430 1 38 MET H 1 38 MET HG3 4.000 2.500 4.320 4.299 3.941 4.393 0.073 27 0 "[ . 1 . 2 . ]" 1
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