NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452809 |
2wxc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2wxc
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 735
_Distance_constraint_stats_list.Viol_count 1051
_Distance_constraint_stats_list.Viol_total 522.592
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0249
_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 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.005 0.005 20 0 "[ . 1 . 2]"
1 8 LEU 2.097 0.078 14 0 "[ . 1 . 2]"
1 9 SER 0.012 0.012 14 0 "[ . 1 . 2]"
1 10 PRO 0.901 0.077 17 0 "[ . 1 . 2]"
1 11 ALA 0.684 0.064 1 0 "[ . 1 . 2]"
1 12 ILE 5.149 0.088 20 0 "[ . 1 . 2]"
1 13 ARG 2.574 0.077 17 0 "[ . 1 . 2]"
1 14 ARG 1.353 0.064 1 0 "[ . 1 . 2]"
1 15 LEU 3.700 0.070 20 0 "[ . 1 . 2]"
1 16 LEU 3.679 0.088 20 0 "[ . 1 . 2]"
1 17 ALA 2.269 0.057 19 0 "[ . 1 . 2]"
1 18 GLU 3.702 0.069 1 0 "[ . 1 . 2]"
1 19 TRP 3.070 0.070 20 0 "[ . 1 . 2]"
1 20 ASN 0.644 0.043 1 0 "[ . 1 . 2]"
1 21 LEU 0.843 0.023 19 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 1.467 0.078 14 0 "[ . 1 . 2]"
1 24 SER 0.366 0.033 17 0 "[ . 1 . 2]"
1 25 ALA 0.016 0.011 14 0 "[ . 1 . 2]"
1 26 ILE 0.332 0.022 18 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.009 0.009 20 0 "[ . 1 . 2]"
1 29 THR 0.064 0.050 15 0 "[ . 1 . 2]"
1 30 GLY 0.054 0.050 15 0 "[ . 1 . 2]"
1 31 VAL 0.003 0.003 5 0 "[ . 1 . 2]"
1 32 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.010 0.006 7 0 "[ . 1 . 2]"
1 34 ARG 0.041 0.029 6 0 "[ . 1 . 2]"
1 35 LEU 3.768 0.096 9 0 "[ . 1 . 2]"
1 36 THR 1.206 0.094 9 0 "[ . 1 . 2]"
1 37 ARG 1.068 0.047 9 0 "[ . 1 . 2]"
1 38 GLU 0.596 0.048 17 0 "[ . 1 . 2]"
1 39 ASP 0.047 0.010 8 0 "[ . 1 . 2]"
1 40 VAL 4.529 0.096 9 0 "[ . 1 . 2]"
1 41 GLU 1.551 0.059 9 0 "[ . 1 . 2]"
1 42 LYS 1.183 0.059 9 0 "[ . 1 . 2]"
1 43 HIS 1.083 0.029 9 0 "[ . 1 . 2]"
1 44 LEU 1.902 0.076 19 0 "[ . 1 . 2]"
1 45 ALA 0.233 0.021 15 0 "[ . 1 . 2]"
1 46 LYS 0.141 0.028 4 0 "[ . 1 . 2]"
1 47 ALA 0.013 0.005 1 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 5 ASN H 1 5 ASN QD 5.000 . 6.000 4.228 3.141 4.929 . 0 0 "[ . 1 . 2]" 1
2 1 5 ASN HA 1 5 ASN QD 4.000 . 4.750 3.537 1.985 4.136 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU H 1 8 LEU HB3 4.000 . 4.750 3.813 3.769 3.899 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU H 1 8 LEU HB2 3.000 . 3.500 2.732 2.642 3.072 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU HG 4.000 . 4.750 4.308 4.038 4.637 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU HA 1 8 LEU HB3 3.000 . 3.500 2.464 2.284 2.513 . 0 0 "[ . 1 . 2]" 1
7 1 8 LEU HA 1 8 LEU HG 4.000 . 4.750 3.188 2.412 3.911 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU HA 1 8 LEU QD 4.000 . 4.750 2.307 1.799 2.996 0.001 20 0 "[ . 1 . 2]" 1
9 1 8 LEU HB3 1 8 LEU HG 3.000 . 3.500 2.397 2.257 2.588 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU HB3 1 8 LEU QD 3.000 . 3.500 2.285 2.009 2.504 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HB2 1 8 LEU HG 3.000 . 3.500 2.748 2.471 3.014 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU HB2 1 8 LEU QD 3.000 . 3.500 2.054 1.957 2.160 . 0 0 "[ . 1 . 2]" 1
13 1 9 SER H 1 9 SER QB 3.000 . 3.500 2.587 2.218 3.074 . 0 0 "[ . 1 . 2]" 1
14 1 11 ALA H 1 11 ALA HA 3.000 . 3.500 2.849 2.794 2.854 . 0 0 "[ . 1 . 2]" 1
15 1 12 ILE H 1 12 ILE HA 3.000 . 3.500 2.849 2.811 2.878 . 0 0 "[ . 1 . 2]" 1
16 1 12 ILE H 1 12 ILE HB 2.500 . 2.800 2.650 2.551 2.691 . 0 0 "[ . 1 . 2]" 1
17 1 12 ILE H 1 12 ILE MG 4.000 . 4.750 3.778 3.772 3.789 . 0 0 "[ . 1 . 2]" 1
18 1 12 ILE H 1 12 ILE MD 5.000 . 6.000 2.964 1.894 3.561 . 0 0 "[ . 1 . 2]" 1
19 1 12 ILE H 1 12 ILE QG 3.000 . 3.500 2.073 1.953 2.833 . 0 0 "[ . 1 . 2]" 1
20 1 12 ILE HA 1 12 ILE HB 3.000 . 3.500 3.018 3.015 3.023 . 0 0 "[ . 1 . 2]" 1
21 1 12 ILE HA 1 12 ILE MG 3.000 . 3.500 2.359 2.307 2.390 . 0 0 "[ . 1 . 2]" 1
22 1 12 ILE HA 1 12 ILE MD 4.000 . 4.750 2.325 1.928 3.938 . 0 0 "[ . 1 . 2]" 1
23 1 12 ILE HA 1 12 ILE QG 3.000 . 3.500 2.919 2.335 3.086 . 0 0 "[ . 1 . 2]" 1
24 1 13 ARG H 1 13 ARG QB 3.000 . 3.500 2.175 2.063 2.372 . 0 0 "[ . 1 . 2]" 1
25 1 13 ARG H 1 13 ARG QG 4.000 . 4.750 3.537 2.430 4.028 . 0 0 "[ . 1 . 2]" 1
26 1 13 ARG H 1 13 ARG QD 4.000 . 4.750 4.102 3.094 4.716 . 0 0 "[ . 1 . 2]" 1
27 1 13 ARG HA 1 13 ARG QG 3.000 . 3.500 2.206 2.030 2.439 . 0 0 "[ . 1 . 2]" 1
28 1 13 ARG HA 1 13 ARG QD 4.000 . 4.750 3.716 2.974 4.152 . 0 0 "[ . 1 . 2]" 1
29 1 13 ARG QB 1 13 ARG QD 3.000 . 3.500 2.090 1.957 2.379 . 0 0 "[ . 1 . 2]" 1
30 1 14 ARG H 1 14 ARG QB 3.000 . 3.500 2.083 2.054 2.285 . 0 0 "[ . 1 . 2]" 1
31 1 14 ARG H 1 14 ARG QG 3.000 . 3.500 3.332 2.633 3.505 0.005 11 0 "[ . 1 . 2]" 1
32 1 14 ARG H 1 14 ARG QD 4.000 . 4.750 3.839 3.454 4.048 . 0 0 "[ . 1 . 2]" 1
33 1 14 ARG HA 1 14 ARG QG 3.000 . 3.500 2.285 2.070 3.305 . 0 0 "[ . 1 . 2]" 1
34 1 14 ARG HA 1 14 ARG QD 4.000 . 4.750 3.950 3.744 4.587 . 0 0 "[ . 1 . 2]" 1
35 1 14 ARG QB 1 14 ARG QD 3.000 . 3.500 2.112 1.939 2.382 . 0 0 "[ . 1 . 2]" 1
36 1 15 LEU H 1 15 LEU HA 3.000 . 3.500 2.802 2.787 2.826 . 0 0 "[ . 1 . 2]" 1
37 1 15 LEU H 1 15 LEU HB3 4.000 . 4.750 3.468 3.451 3.496 . 0 0 "[ . 1 . 2]" 1
38 1 15 LEU H 1 15 LEU HB2 3.000 . 3.500 2.157 2.134 2.195 . 0 0 "[ . 1 . 2]" 1
39 1 15 LEU H 1 15 LEU HG 3.000 . 3.500 3.319 3.248 3.504 0.004 20 0 "[ . 1 . 2]" 1
40 1 15 LEU H 1 15 LEU MD1 5.000 . 6.000 2.970 2.682 3.101 . 0 0 "[ . 1 . 2]" 1
41 1 15 LEU H 1 15 LEU MD2 5.000 . 6.000 4.311 4.281 4.341 . 0 0 "[ . 1 . 2]" 1
42 1 15 LEU HA 1 15 LEU HB3 3.000 . 3.500 2.700 2.672 2.717 . 0 0 "[ . 1 . 2]" 1
43 1 15 LEU HA 1 15 LEU HG 3.000 . 3.500 2.213 2.169 2.236 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU HA 1 15 LEU MD1 4.000 . 4.750 3.545 3.395 3.600 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU HA 1 15 LEU MD2 4.000 . 4.750 3.033 2.946 3.260 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU HB3 1 15 LEU HG 3.000 . 3.500 2.881 2.799 2.908 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU HB3 1 15 LEU MD2 3.000 . 3.500 2.019 1.968 2.079 . 0 0 "[ . 1 . 2]" 1
48 1 15 LEU HB2 1 15 LEU HG 3.000 . 3.500 2.815 2.781 2.896 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU HB2 1 15 LEU MD1 3.000 . 3.500 2.024 1.943 2.133 . 0 0 "[ . 1 . 2]" 1
50 1 16 LEU H 1 16 LEU HA 3.000 . 3.500 2.789 2.771 2.794 . 0 0 "[ . 1 . 2]" 1
51 1 16 LEU H 1 16 LEU HB3 4.000 . 4.750 3.482 3.458 3.514 . 0 0 "[ . 1 . 2]" 1
52 1 16 LEU H 1 16 LEU HB2 3.000 . 3.500 2.175 2.142 2.234 . 0 0 "[ . 1 . 2]" 1
53 1 16 LEU H 1 16 LEU HG 3.000 . 3.500 2.975 2.778 3.135 . 0 0 "[ . 1 . 2]" 1
54 1 16 LEU H 1 16 LEU MD1 4.000 . 4.750 4.078 3.932 4.226 . 0 0 "[ . 1 . 2]" 1
55 1 16 LEU H 1 16 LEU MD2 4.000 . 4.750 3.489 3.263 3.706 . 0 0 "[ . 1 . 2]" 1
56 1 16 LEU HA 1 16 LEU HB3 3.000 . 3.500 2.688 2.648 2.715 . 0 0 "[ . 1 . 2]" 1
57 1 16 LEU HA 1 16 LEU HG 3.000 . 3.500 3.093 2.912 3.253 . 0 0 "[ . 1 . 2]" 1
58 1 16 LEU HA 1 16 LEU MD2 3.000 . 3.500 1.862 1.805 1.921 . 0 0 "[ . 1 . 2]" 1
59 1 16 LEU HB3 1 16 LEU HG 3.000 . 3.500 2.983 2.944 3.011 . 0 0 "[ . 1 . 2]" 1
60 1 16 LEU HB3 1 16 LEU MD1 3.000 . 3.500 2.156 2.126 2.196 . 0 0 "[ . 1 . 2]" 1
61 1 16 LEU HB3 1 16 LEU MD2 3.000 . 3.500 2.567 2.428 2.740 . 0 0 "[ . 1 . 2]" 1
62 1 16 LEU HB2 1 16 LEU MD1 3.000 . 3.500 2.565 2.474 2.665 . 0 0 "[ . 1 . 2]" 1
63 1 17 ALA H 1 17 ALA HA 3.000 . 3.500 2.845 2.839 2.849 . 0 0 "[ . 1 . 2]" 1
64 1 17 ALA H 1 17 ALA MB 3.000 . 3.500 2.157 2.102 2.250 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU H 1 18 GLU HA 2.500 . 2.800 2.846 2.843 2.855 0.055 11 0 "[ . 1 . 2]" 1
66 1 18 GLU H 1 18 GLU QB 3.000 . 3.500 2.693 2.171 2.730 . 0 0 "[ . 1 . 2]" 1
67 1 18 GLU H 1 18 GLU QG 3.000 . 3.500 1.998 1.930 3.057 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLU HA 1 18 GLU QG 3.000 . 3.500 2.808 2.727 3.263 . 0 0 "[ . 1 . 2]" 1
69 1 19 TRP H 1 19 TRP HB3 4.000 . 4.750 3.620 3.611 3.630 . 0 0 "[ . 1 . 2]" 1
70 1 19 TRP H 1 19 TRP HB2 3.000 . 3.500 2.454 2.402 2.487 . 0 0 "[ . 1 . 2]" 1
71 1 19 TRP H 1 19 TRP HD1 3.000 . 3.500 2.086 1.995 2.527 . 0 0 "[ . 1 . 2]" 1
72 1 19 TRP HA 1 19 TRP HB3 3.000 . 3.500 2.489 2.470 2.546 . 0 0 "[ . 1 . 2]" 1
73 1 19 TRP HA 1 19 TRP HB2 3.000 . 3.500 3.026 3.019 3.028 . 0 0 "[ . 1 . 2]" 1
74 1 19 TRP HA 1 19 TRP HD1 4.000 . 4.750 3.616 3.591 3.662 . 0 0 "[ . 1 . 2]" 1
75 1 19 TRP HA 1 19 TRP HE3 4.000 . 4.750 3.984 3.910 4.032 . 0 0 "[ . 1 . 2]" 1
76 1 19 TRP HB3 1 19 TRP HE3 3.000 . 3.500 2.397 2.391 2.414 . 0 0 "[ . 1 . 2]" 1
77 1 19 TRP HB2 1 19 TRP HD1 3.000 . 3.500 2.935 2.878 2.959 . 0 0 "[ . 1 . 2]" 1
78 1 20 ASN H 1 20 ASN HA 2.500 . 2.800 2.274 2.270 2.280 . 0 0 "[ . 1 . 2]" 1
79 1 20 ASN H 1 20 ASN QD 5.000 . 6.000 4.219 2.431 5.132 . 0 0 "[ . 1 . 2]" 1
80 1 21 LEU H 1 21 LEU HB3 4.000 . 4.750 3.617 3.474 3.788 . 0 0 "[ . 1 . 2]" 1
81 1 21 LEU H 1 21 LEU HB2 3.000 . 3.500 2.440 2.267 2.794 . 0 0 "[ . 1 . 2]" 1
82 1 21 LEU H 1 21 LEU HG 3.000 . 3.500 3.194 2.383 3.513 0.013 8 0 "[ . 1 . 2]" 1
83 1 21 LEU H 1 21 LEU MD1 5.000 . 6.000 4.077 3.679 4.261 . 0 0 "[ . 1 . 2]" 1
84 1 21 LEU H 1 21 LEU MD2 5.000 . 6.000 3.948 3.559 4.166 . 0 0 "[ . 1 . 2]" 1
85 1 21 LEU HA 1 21 LEU HB3 3.000 . 3.500 2.580 2.344 2.705 . 0 0 "[ . 1 . 2]" 1
86 1 21 LEU HA 1 21 LEU HG 4.000 . 4.750 2.943 2.741 3.227 . 0 0 "[ . 1 . 2]" 1
87 1 21 LEU HA 1 21 LEU MD2 4.000 . 4.750 2.075 1.927 2.283 . 0 0 "[ . 1 . 2]" 1
88 1 21 LEU HB3 1 21 LEU HG 3.000 . 3.500 3.018 3.011 3.020 . 0 0 "[ . 1 . 2]" 1
89 1 21 LEU HB3 1 21 LEU MD1 3.000 . 3.500 2.318 2.184 2.547 . 0 0 "[ . 1 . 2]" 1
90 1 21 LEU HB2 1 21 LEU HG 3.000 . 3.500 2.463 2.403 2.550 . 0 0 "[ . 1 . 2]" 1
91 1 21 LEU HB2 1 21 LEU MD1 3.000 . 3.500 2.326 2.125 2.463 . 0 0 "[ . 1 . 2]" 1
92 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 2.831 2.584 3.011 . 0 0 "[ . 1 . 2]" 1
93 1 22 ASP H 1 22 ASP HB2 3.000 . 3.500 2.696 2.469 2.953 . 0 0 "[ . 1 . 2]" 1
94 1 22 ASP HA 1 22 ASP HB2 3.000 . 3.500 2.615 2.470 2.716 . 0 0 "[ . 1 . 2]" 1
95 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.790 2.777 2.808 . 0 0 "[ . 1 . 2]" 1
96 1 23 ALA H 1 23 ALA MB 3.000 . 3.500 2.138 2.041 2.232 . 0 0 "[ . 1 . 2]" 1
97 1 24 SER H 1 24 SER HA 3.000 . 3.500 2.797 2.773 2.815 . 0 0 "[ . 1 . 2]" 1
98 1 24 SER H 1 24 SER QB 3.000 . 3.500 2.288 2.071 2.829 . 0 0 "[ . 1 . 2]" 1
99 1 24 SER HA 1 24 SER QB 2.500 . 2.800 2.398 2.165 2.538 . 0 0 "[ . 1 . 2]" 1
100 1 25 ALA H 1 25 ALA HA 3.000 . 3.500 2.910 2.856 2.939 . 0 0 "[ . 1 . 2]" 1
101 1 25 ALA H 1 25 ALA MB 3.000 . 3.500 2.277 2.144 2.390 . 0 0 "[ . 1 . 2]" 1
102 1 26 ILE H 1 26 ILE HA 3.000 . 3.500 2.933 2.906 2.944 . 0 0 "[ . 1 . 2]" 1
103 1 26 ILE H 1 26 ILE HB 3.000 . 3.500 2.750 2.588 2.862 . 0 0 "[ . 1 . 2]" 1
104 1 26 ILE H 1 26 ILE HG13 3.000 . 3.500 2.584 2.202 2.907 . 0 0 "[ . 1 . 2]" 1
105 1 26 ILE H 1 26 ILE HG12 4.000 . 4.750 3.968 3.605 4.183 . 0 0 "[ . 1 . 2]" 1
106 1 26 ILE H 1 26 ILE MD 5.000 . 6.000 3.631 3.256 4.013 . 0 0 "[ . 1 . 2]" 1
107 1 26 ILE HA 1 26 ILE HG13 3.000 . 3.500 2.898 2.797 3.023 . 0 0 "[ . 1 . 2]" 1
108 1 26 ILE HA 1 26 ILE HG12 3.000 . 3.500 2.823 2.711 2.912 . 0 0 "[ . 1 . 2]" 1
109 1 26 ILE HA 1 26 ILE MG 3.000 . 3.500 2.253 2.194 2.317 . 0 0 "[ . 1 . 2]" 1
110 1 26 ILE HB 1 26 ILE HG13 3.000 . 3.500 2.613 2.562 2.663 . 0 0 "[ . 1 . 2]" 1
111 1 26 ILE HB 1 26 ILE MD 3.000 . 3.500 2.222 2.096 2.341 . 0 0 "[ . 1 . 2]" 1
112 1 27 LYS H 1 27 LYS HA 3.000 . 3.500 2.889 2.805 2.943 . 0 0 "[ . 1 . 2]" 1
113 1 27 LYS H 1 27 LYS QB 3.000 . 3.500 2.312 2.127 2.732 . 0 0 "[ . 1 . 2]" 1
114 1 27 LYS H 1 27 LYS QG 4.000 . 4.750 3.098 1.974 4.086 . 0 0 "[ . 1 . 2]" 1
115 1 27 LYS H 1 27 LYS QD 4.000 . 4.750 4.117 2.401 4.729 . 0 0 "[ . 1 . 2]" 1
116 1 27 LYS HA 1 27 LYS QG 3.000 . 3.500 2.490 2.079 3.414 . 0 0 "[ . 1 . 2]" 1
117 1 27 LYS HA 1 27 LYS QD 4.000 . 4.750 2.969 2.000 3.926 . 0 0 "[ . 1 . 2]" 1
118 1 27 LYS HA 1 27 LYS QE 5.000 . 6.000 4.102 2.337 5.463 . 0 0 "[ . 1 . 2]" 1
119 1 27 LYS QB 1 27 LYS QD 3.000 . 3.500 2.114 1.946 2.471 . 0 0 "[ . 1 . 2]" 1
120 1 27 LYS QB 1 27 LYS QE 4.000 . 4.750 3.279 2.565 3.777 . 0 0 "[ . 1 . 2]" 1
121 1 31 VAL H 1 31 VAL HA 3.000 . 3.500 2.777 2.277 2.949 . 0 0 "[ . 1 . 2]" 1
122 1 31 VAL H 1 31 VAL HB 4.000 . 4.750 3.357 2.617 3.956 . 0 0 "[ . 1 . 2]" 1
123 1 31 VAL H 1 31 VAL MG2 4.000 . 4.750 2.901 1.964 4.057 . 0 0 "[ . 1 . 2]" 1
124 1 31 VAL HA 1 31 VAL HB 3.000 . 3.500 2.722 2.445 3.019 . 0 0 "[ . 1 . 2]" 1
125 1 31 VAL HA 1 31 VAL MG1 3.000 . 3.500 2.559 2.167 3.207 . 0 0 "[ . 1 . 2]" 1
126 1 31 VAL HA 1 31 VAL MG2 3.000 . 3.500 2.595 2.246 3.196 . 0 0 "[ . 1 . 2]" 1
127 1 34 ARG H 1 34 ARG QB 3.000 . 3.500 2.745 2.298 3.316 . 0 0 "[ . 1 . 2]" 1
128 1 34 ARG H 1 34 ARG QG 4.000 . 4.750 2.758 1.928 4.095 . 0 0 "[ . 1 . 2]" 1
129 1 34 ARG H 1 34 ARG QD 5.000 . 6.000 3.737 2.489 4.982 . 0 0 "[ . 1 . 2]" 1
130 1 34 ARG HA 1 34 ARG QG 3.000 . 3.500 2.775 2.060 3.404 . 0 0 "[ . 1 . 2]" 1
131 1 34 ARG HA 1 34 ARG QD 4.000 . 4.750 4.046 3.349 4.510 . 0 0 "[ . 1 . 2]" 1
132 1 34 ARG QB 1 34 ARG QD 3.000 . 3.500 2.109 1.924 2.502 . 0 0 "[ . 1 . 2]" 1
133 1 35 LEU H 1 35 LEU HA 3.000 . 3.500 2.941 2.930 2.947 . 0 0 "[ . 1 . 2]" 1
134 1 35 LEU H 1 35 LEU HG 3.000 . 3.500 3.540 3.526 3.582 0.082 14 0 "[ . 1 . 2]" 1
135 1 35 LEU H 1 35 LEU MD1 4.000 . 4.750 4.291 4.106 4.493 . 0 0 "[ . 1 . 2]" 1
136 1 35 LEU H 1 35 LEU MD2 5.000 . 6.000 2.421 1.914 3.569 . 0 0 "[ . 1 . 2]" 1
137 1 35 LEU H 1 35 LEU QB 2.500 . 2.800 2.519 2.225 2.712 . 0 0 "[ . 1 . 2]" 1
138 1 35 LEU HA 1 35 LEU HG 4.000 . 4.750 3.541 3.474 3.625 . 0 0 "[ . 1 . 2]" 1
139 1 35 LEU HA 1 35 LEU MD2 4.000 . 4.750 3.813 3.602 4.124 . 0 0 "[ . 1 . 2]" 1
140 1 35 LEU QB 1 35 LEU MD1 3.000 . 3.500 2.019 1.927 2.098 . 0 0 "[ . 1 . 2]" 1
141 1 36 THR H 1 36 THR MG 4.000 . 4.750 2.372 2.224 2.700 . 0 0 "[ . 1 . 2]" 1
142 1 37 ARG H 1 37 ARG QB 3.000 . 3.500 2.224 2.058 2.493 . 0 0 "[ . 1 . 2]" 1
143 1 37 ARG H 1 37 ARG QD 5.000 . 6.000 4.247 3.671 4.754 . 0 0 "[ . 1 . 2]" 1
144 1 37 ARG HA 1 37 ARG QG 3.000 . 3.500 2.494 2.139 3.344 . 0 0 "[ . 1 . 2]" 1
145 1 37 ARG HA 1 37 ARG QD 4.000 . 4.750 3.766 2.644 4.337 . 0 0 "[ . 1 . 2]" 1
146 1 37 ARG QB 1 37 ARG QD 3.000 . 3.500 2.114 1.928 2.454 . 0 0 "[ . 1 . 2]" 1
147 1 38 GLU H 1 38 GLU HA 3.000 . 3.500 2.855 2.813 2.863 . 0 0 "[ . 1 . 2]" 1
148 1 38 GLU H 1 38 GLU QB 3.000 . 3.500 2.314 2.086 2.617 . 0 0 "[ . 1 . 2]" 1
149 1 38 GLU H 1 38 GLU QG 4.000 . 4.750 3.064 2.206 3.985 . 0 0 "[ . 1 . 2]" 1
150 1 38 GLU HA 1 38 GLU QG 3.000 . 3.500 2.462 2.052 3.347 . 0 0 "[ . 1 . 2]" 1
151 1 39 ASP H 1 39 ASP HA 3.000 . 3.500 2.858 2.850 2.864 . 0 0 "[ . 1 . 2]" 1
152 1 39 ASP H 1 39 ASP HB3 4.000 . 4.750 3.587 3.578 3.603 . 0 0 "[ . 1 . 2]" 1
153 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 2.392 2.356 2.478 . 0 0 "[ . 1 . 2]" 1
154 1 39 ASP HA 1 39 ASP HB3 3.000 . 3.500 2.522 2.473 2.542 . 0 0 "[ . 1 . 2]" 1
155 1 40 VAL H 1 40 VAL HA 3.000 . 3.500 2.862 2.850 2.870 . 0 0 "[ . 1 . 2]" 1
156 1 40 VAL H 1 40 VAL HB 3.000 . 3.500 3.154 3.088 3.188 . 0 0 "[ . 1 . 2]" 1
157 1 40 VAL H 1 40 VAL MG2 3.000 . 3.500 1.819 1.780 1.851 0.020 20 0 "[ . 1 . 2]" 1
158 1 40 VAL HA 1 40 VAL HB 3.000 . 3.500 2.925 2.916 2.945 . 0 0 "[ . 1 . 2]" 1
159 1 40 VAL HA 1 40 VAL MG1 3.000 . 3.500 2.063 2.024 2.102 . 0 0 "[ . 1 . 2]" 1
160 1 40 VAL HA 1 40 VAL MG2 3.000 . 3.500 2.828 2.764 2.876 . 0 0 "[ . 1 . 2]" 1
161 1 41 GLU H 1 41 GLU HA 3.000 . 3.500 2.808 2.796 2.822 . 0 0 "[ . 1 . 2]" 1
162 1 41 GLU H 1 41 GLU QB 3.000 . 3.500 2.409 2.280 2.731 . 0 0 "[ . 1 . 2]" 1
163 1 41 GLU H 1 41 GLU QG 3.000 . 3.500 2.364 1.954 2.625 . 0 0 "[ . 1 . 2]" 1
164 1 41 GLU HA 1 41 GLU QG 3.000 . 3.500 3.225 2.653 3.333 . 0 0 "[ . 1 . 2]" 1
165 1 42 LYS H 1 42 LYS HA 3.000 . 3.500 2.822 2.812 2.835 . 0 0 "[ . 1 . 2]" 1
166 1 42 LYS H 1 42 LYS QB 3.000 . 3.500 2.176 2.053 2.428 . 0 0 "[ . 1 . 2]" 1
167 1 42 LYS H 1 42 LYS QG 3.000 . 3.500 2.994 2.335 3.514 0.014 13 0 "[ . 1 . 2]" 1
168 1 42 LYS H 1 42 LYS QD 4.000 . 4.750 4.117 2.986 4.639 . 0 0 "[ . 1 . 2]" 1
169 1 42 LYS HA 1 42 LYS QG 3.000 . 3.500 2.369 2.015 3.466 . 0 0 "[ . 1 . 2]" 1
170 1 42 LYS HA 1 42 LYS QD 3.000 . 3.500 3.040 2.041 3.522 0.022 13 0 "[ . 1 . 2]" 1
171 1 42 LYS HA 1 42 LYS QE 5.000 . 6.000 4.257 2.649 5.332 . 0 0 "[ . 1 . 2]" 1
172 1 42 LYS QB 1 42 LYS QD 3.000 . 3.500 2.054 1.915 2.361 . 0 0 "[ . 1 . 2]" 1
173 1 42 LYS QB 1 42 LYS QE 4.000 . 4.750 3.390 2.827 3.758 . 0 0 "[ . 1 . 2]" 1
174 1 42 LYS QE 1 42 LYS QG 3.000 . 3.500 2.089 1.927 2.324 . 0 0 "[ . 1 . 2]" 1
175 1 43 HIS H 1 43 HIS HA 3.000 . 3.500 2.857 2.852 2.861 . 0 0 "[ . 1 . 2]" 1
176 1 43 HIS H 1 43 HIS HB3 3.000 . 3.500 2.438 2.338 2.496 . 0 0 "[ . 1 . 2]" 1
177 1 43 HIS H 1 43 HIS HB2 3.000 . 3.500 2.647 2.587 2.742 . 0 0 "[ . 1 . 2]" 1
178 1 43 HIS H 1 43 HIS HD2 5.000 . 6.000 4.948 4.771 5.029 . 0 0 "[ . 1 . 2]" 1
179 1 43 HIS HA 1 43 HIS HB2 3.000 . 3.500 2.444 2.398 2.474 . 0 0 "[ . 1 . 2]" 1
180 1 43 HIS HA 1 43 HIS HD2 5.000 . 6.000 4.170 3.987 4.311 . 0 0 "[ . 1 . 2]" 1
181 1 43 HIS HA 1 43 HIS HE1 5.000 . 6.000 5.214 5.080 5.469 . 0 0 "[ . 1 . 2]" 1
182 1 43 HIS HB3 1 43 HIS HD2 3.000 . 3.500 2.877 2.803 3.017 . 0 0 "[ . 1 . 2]" 1
183 1 43 HIS HB3 1 43 HIS HE1 5.000 . 6.000 5.272 5.213 5.303 . 0 0 "[ . 1 . 2]" 1
184 1 43 HIS HB2 1 43 HIS HD2 4.000 . 4.750 3.930 3.894 3.969 . 0 0 "[ . 1 . 2]" 1
185 1 43 HIS HB2 1 43 HIS HE1 5.000 . 6.000 4.745 4.722 4.767 . 0 0 "[ . 1 . 2]" 1
186 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.799 2.780 2.834 . 0 0 "[ . 1 . 2]" 1
187 1 44 LEU H 1 44 LEU HB3 4.000 . 4.750 3.527 3.489 3.557 . 0 0 "[ . 1 . 2]" 1
188 1 44 LEU H 1 44 LEU HB2 3.000 . 3.500 2.266 2.188 2.346 . 0 0 "[ . 1 . 2]" 1
189 1 44 LEU H 1 44 LEU HG 3.000 . 3.500 2.662 2.505 2.840 . 0 0 "[ . 1 . 2]" 1
190 1 44 LEU H 1 44 LEU MD1 5.000 . 6.000 3.678 3.545 3.841 . 0 0 "[ . 1 . 2]" 1
191 1 44 LEU H 1 44 LEU MD2 5.000 . 6.000 3.672 3.479 3.841 . 0 0 "[ . 1 . 2]" 1
192 1 44 LEU HA 1 44 LEU HB3 3.000 . 3.500 2.607 2.539 2.650 . 0 0 "[ . 1 . 2]" 1
193 1 44 LEU HA 1 44 LEU HG 3.000 . 3.500 2.868 2.717 3.005 . 0 0 "[ . 1 . 2]" 1
194 1 44 LEU HA 1 44 LEU MD2 3.000 . 3.500 2.020 1.890 2.195 . 0 0 "[ . 1 . 2]" 1
195 1 44 LEU HB3 1 44 LEU HG 3.000 . 3.500 3.023 3.018 3.026 . 0 0 "[ . 1 . 2]" 1
196 1 44 LEU HB2 1 44 LEU HG 3.000 . 3.500 2.485 2.415 2.545 . 0 0 "[ . 1 . 2]" 1
197 1 44 LEU HB2 1 44 LEU MD1 3.000 . 3.500 2.368 2.302 2.455 . 0 0 "[ . 1 . 2]" 1
198 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.885 2.864 2.906 . 0 0 "[ . 1 . 2]" 1
199 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.189 2.066 2.297 . 0 0 "[ . 1 . 2]" 1
200 1 46 LYS H 1 46 LYS HA 3.000 . 3.500 2.881 2.782 2.950 . 0 0 "[ . 1 . 2]" 1
201 1 46 LYS H 1 46 LYS QB 3.000 . 3.500 2.330 2.039 2.875 . 0 0 "[ . 1 . 2]" 1
202 1 46 LYS H 1 46 LYS QG 3.000 . 3.500 2.859 2.056 3.490 . 0 0 "[ . 1 . 2]" 1
203 1 46 LYS H 1 46 LYS QD 5.000 . 6.000 4.131 2.530 4.662 . 0 0 "[ . 1 . 2]" 1
204 1 46 LYS HA 1 46 LYS QG 3.000 . 3.500 2.414 2.071 3.358 . 0 0 "[ . 1 . 2]" 1
205 1 46 LYS HA 1 46 LYS QD 4.000 . 4.750 3.571 1.969 4.262 . 0 0 "[ . 1 . 2]" 1
206 1 46 LYS HA 1 46 LYS QE 5.000 . 6.000 4.286 2.881 5.588 . 0 0 "[ . 1 . 2]" 1
207 1 46 LYS QB 1 46 LYS QD 3.000 . 3.500 2.105 1.940 2.416 . 0 0 "[ . 1 . 2]" 1
208 1 46 LYS QE 1 46 LYS QG 3.000 . 3.500 2.142 1.937 2.400 . 0 0 "[ . 1 . 2]" 1
209 1 4 ASN QD 1 5 ASN QB 4.000 . 4.750 4.163 2.241 4.724 . 0 0 "[ . 1 . 2]" 1
210 1 5 ASN HA 1 6 ASP H 4.000 . 4.750 2.438 2.140 3.557 . 0 0 "[ . 1 . 2]" 1
211 1 6 ASP HA 1 7 ALA H 4.000 . 4.750 2.500 2.139 3.567 . 0 0 "[ . 1 . 2]" 1
212 1 6 ASP QB 1 7 ALA H 5.000 . 6.000 3.353 2.301 4.028 . 0 0 "[ . 1 . 2]" 1
213 1 7 ALA H 1 8 LEU H 4.000 . 4.750 2.243 1.872 2.617 . 0 0 "[ . 1 . 2]" 1
214 1 7 ALA H 1 8 LEU HB2 4.000 . 4.750 4.401 3.963 4.720 . 0 0 "[ . 1 . 2]" 1
215 1 7 ALA H 1 8 LEU QD 5.000 . 6.000 2.871 2.133 3.459 . 0 0 "[ . 1 . 2]" 1
216 1 7 ALA HA 1 8 LEU H 3.000 . 3.500 3.308 3.117 3.505 0.005 20 0 "[ . 1 . 2]" 1
217 1 7 ALA MB 1 8 LEU H 4.000 . 4.750 3.205 2.728 3.511 . 0 0 "[ . 1 . 2]" 1
218 1 8 LEU H 1 9 SER H 5.000 . 6.000 4.433 4.373 4.470 . 0 0 "[ . 1 . 2]" 1
219 1 8 LEU HA 1 9 SER H 3.000 . 3.500 2.403 2.283 2.445 . 0 0 "[ . 1 . 2]" 1
220 1 8 LEU HB3 1 9 SER H 4.000 . 4.750 2.339 2.253 2.660 . 0 0 "[ . 1 . 2]" 1
221 1 8 LEU HB2 1 9 SER H 4.000 . 4.750 3.508 3.015 3.850 . 0 0 "[ . 1 . 2]" 1
222 1 8 LEU HG 1 9 SER H 4.000 . 4.750 4.298 3.900 4.762 0.012 14 0 "[ . 1 . 2]" 1
223 1 8 LEU QD 1 9 SER H 5.000 . 6.000 3.514 3.048 3.909 . 0 0 "[ . 1 . 2]" 1
224 1 9 SER H 1 10 PRO QD 4.000 . 4.750 4.390 4.354 4.421 . 0 0 "[ . 1 . 2]" 1
225 1 9 SER HA 1 10 PRO QD 4.000 . 4.750 2.224 2.143 2.316 . 0 0 "[ . 1 . 2]" 1
226 1 9 SER QB 1 10 PRO QD 3.000 . 3.500 2.071 1.880 2.519 . 0 0 "[ . 1 . 2]" 1
227 1 10 PRO QG 1 11 ALA MB 5.000 . 6.000 4.426 3.538 4.947 . 0 0 "[ . 1 . 2]" 1
228 1 10 PRO QD 1 11 ALA MB 5.000 . 6.000 4.157 3.916 4.439 . 0 0 "[ . 1 . 2]" 1
229 1 11 ALA HA 1 12 ILE H 4.000 . 4.750 3.528 3.506 3.561 . 0 0 "[ . 1 . 2]" 1
230 1 11 ALA MB 1 12 ILE H 4.000 . 4.750 2.665 2.505 2.803 . 0 0 "[ . 1 . 2]" 1
231 1 11 ALA MB 1 12 ILE HA 5.000 . 6.000 3.800 3.729 3.876 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE H 1 13 ARG H 2.500 . 2.800 2.535 2.414 2.657 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE H 1 13 ARG QB 4.000 . 4.750 4.313 4.221 4.553 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE HA 1 13 ARG H 3.000 . 3.500 3.509 3.503 3.511 0.011 7 0 "[ . 1 . 2]" 1
235 1 12 ILE HB 1 13 ARG H 2.500 . 2.800 2.837 2.828 2.853 0.053 17 0 "[ . 1 . 2]" 1
236 1 12 ILE MG 1 13 ARG H 4.000 . 4.750 3.762 3.656 3.801 . 0 0 "[ . 1 . 2]" 1
237 1 12 ILE MG 1 13 ARG HA 4.000 . 4.750 3.716 3.533 3.791 . 0 0 "[ . 1 . 2]" 1
238 1 12 ILE QG 1 13 ARG H 5.000 . 6.000 3.964 3.881 4.400 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG H 1 14 ARG H 3.000 . 3.500 2.596 2.576 2.644 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG H 1 14 ARG QD 5.000 . 6.000 5.735 5.386 6.008 0.008 12 0 "[ . 1 . 2]" 1
241 1 13 ARG HA 1 14 ARG H 4.000 . 4.750 3.538 3.533 3.555 . 0 0 "[ . 1 . 2]" 1
242 1 13 ARG QB 1 14 ARG H 3.000 . 3.500 2.592 2.514 2.689 . 0 0 "[ . 1 . 2]" 1
243 1 13 ARG QG 1 14 ARG H 4.000 . 4.750 4.263 4.024 4.431 . 0 0 "[ . 1 . 2]" 1
244 1 14 ARG H 1 15 LEU H 3.000 . 3.500 2.564 2.498 2.599 . 0 0 "[ . 1 . 2]" 1
245 1 14 ARG HA 1 15 LEU H 3.000 . 3.500 3.529 3.508 3.533 0.033 5 0 "[ . 1 . 2]" 1
246 1 14 ARG QB 1 15 LEU H 3.000 . 3.500 2.655 2.520 3.347 . 0 0 "[ . 1 . 2]" 1
247 1 14 ARG QB 1 15 LEU HA 4.000 . 4.750 3.834 3.718 4.667 . 0 0 "[ . 1 . 2]" 1
248 1 15 LEU H 1 16 LEU H 2.500 . 2.800 2.657 2.596 2.708 . 0 0 "[ . 1 . 2]" 1
249 1 15 LEU HA 1 16 LEU H 3.000 . 3.500 3.516 3.505 3.525 0.025 19 0 "[ . 1 . 2]" 1
250 1 15 LEU HB3 1 16 LEU H 3.000 . 3.500 3.200 3.086 3.309 . 0 0 "[ . 1 . 2]" 1
251 1 15 LEU HB2 1 16 LEU H 3.000 . 3.500 2.797 2.692 2.848 . 0 0 "[ . 1 . 2]" 1
252 1 15 LEU MD1 1 16 LEU H 5.000 . 6.000 4.393 4.266 4.445 . 0 0 "[ . 1 . 2]" 1
253 1 15 LEU MD2 1 16 LEU H 5.000 . 6.000 4.710 4.635 4.815 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU H 1 17 ALA H 2.500 . 2.800 2.721 2.685 2.778 . 0 0 "[ . 1 . 2]" 1
255 1 16 LEU HA 1 17 ALA H 4.000 . 4.750 3.536 3.520 3.548 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU HB3 1 17 ALA H 3.000 . 3.500 3.183 3.049 3.353 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HB2 1 17 ALA H 3.000 . 3.500 2.742 2.680 2.811 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU HB2 1 17 ALA MB 4.000 . 4.750 4.128 4.044 4.206 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU HG 1 17 ALA H 4.000 . 4.750 4.779 4.696 4.807 0.057 19 0 "[ . 1 . 2]" 1
260 1 16 LEU MD1 1 17 ALA H 5.000 . 6.000 4.662 4.602 4.759 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU MD2 1 17 ALA H 5.000 . 6.000 4.513 4.473 4.561 . 0 0 "[ . 1 . 2]" 1
262 1 17 ALA H 1 18 GLU H 2.500 . 2.800 2.656 2.631 2.697 . 0 0 "[ . 1 . 2]" 1
263 1 17 ALA HA 1 18 GLU H 3.000 . 3.500 3.548 3.545 3.554 0.054 11 0 "[ . 1 . 2]" 1
264 1 17 ALA MB 1 18 GLU H 3.000 . 3.500 2.527 2.430 2.618 . 0 0 "[ . 1 . 2]" 1
265 1 17 ALA MB 1 18 GLU QG 4.000 . 4.750 2.952 2.678 4.753 0.003 20 0 "[ . 1 . 2]" 1
266 1 18 GLU H 1 19 TRP H 2.500 . 2.800 2.533 2.467 2.557 . 0 0 "[ . 1 . 2]" 1
267 1 18 GLU H 1 19 TRP HD1 4.000 . 4.750 3.533 3.484 3.646 . 0 0 "[ . 1 . 2]" 1
268 1 18 GLU HA 1 19 TRP H 3.000 . 3.500 3.513 3.457 3.521 0.021 17 0 "[ . 1 . 2]" 1
269 1 18 GLU HA 1 19 TRP HD1 4.000 . 4.750 4.610 4.544 4.773 0.023 20 0 "[ . 1 . 2]" 1
270 1 18 GLU QB 1 19 TRP H 3.000 . 3.500 2.555 2.489 3.506 0.006 20 0 "[ . 1 . 2]" 1
271 1 18 GLU QB 1 19 TRP HD1 3.000 . 3.500 2.121 1.999 3.509 0.009 20 0 "[ . 1 . 2]" 1
272 1 18 GLU QB 1 19 TRP HE1 5.000 . 6.000 3.492 3.356 4.770 . 0 0 "[ . 1 . 2]" 1
273 1 18 GLU QG 1 19 TRP H 3.000 . 3.500 3.509 2.736 3.569 0.069 1 0 "[ . 1 . 2]" 1
274 1 18 GLU QG 1 19 TRP HD1 3.000 . 3.500 3.210 1.782 3.469 0.018 20 0 "[ . 1 . 2]" 1
275 1 18 GLU QG 1 19 TRP HE1 5.000 . 6.000 4.229 2.791 4.499 . 0 0 "[ . 1 . 2]" 1
276 1 19 TRP H 1 20 ASN H 3.000 . 3.500 2.405 2.212 2.432 . 0 0 "[ . 1 . 2]" 1
277 1 19 TRP H 1 20 ASN HA 5.000 . 6.000 4.633 4.459 4.652 . 0 0 "[ . 1 . 2]" 1
278 1 19 TRP HA 1 20 ASN H 3.000 . 3.500 3.379 3.365 3.412 . 0 0 "[ . 1 . 2]" 1
279 1 19 TRP HB3 1 20 ASN H 5.000 . 6.000 4.162 4.010 4.194 . 0 0 "[ . 1 . 2]" 1
280 1 19 TRP HB2 1 20 ASN H 4.000 . 4.750 3.340 3.251 3.379 . 0 0 "[ . 1 . 2]" 1
281 1 20 ASN H 1 21 LEU H 3.000 . 3.500 2.954 2.856 3.092 . 0 0 "[ . 1 . 2]" 1
282 1 20 ASN HA 1 21 LEU H 3.000 . 3.500 2.595 2.458 2.642 . 0 0 "[ . 1 . 2]" 1
283 1 20 ASN QB 1 21 LEU H 4.000 . 4.750 3.937 3.911 3.984 . 0 0 "[ . 1 . 2]" 1
284 1 21 LEU HA 1 22 ASP H 2.500 . 2.800 2.358 2.298 2.431 . 0 0 "[ . 1 . 2]" 1
285 1 21 LEU HB3 1 22 ASP H 3.000 . 3.500 2.582 2.378 2.723 . 0 0 "[ . 1 . 2]" 1
286 1 21 LEU HB2 1 22 ASP H 4.000 . 4.750 3.826 3.319 4.028 . 0 0 "[ . 1 . 2]" 1
287 1 21 LEU MD1 1 22 ASP H 5.000 . 6.000 4.360 4.073 4.676 . 0 0 "[ . 1 . 2]" 1
288 1 21 LEU MD2 1 22 ASP H 5.000 . 6.000 2.835 2.342 3.772 . 0 0 "[ . 1 . 2]" 1
289 1 22 ASP H 1 23 ALA H 5.000 . 6.000 4.252 4.205 4.327 . 0 0 "[ . 1 . 2]" 1
290 1 22 ASP HA 1 23 ALA H 2.500 . 2.800 2.146 2.142 2.148 . 0 0 "[ . 1 . 2]" 1
291 1 22 ASP HB3 1 23 ALA H 5.000 . 6.000 4.169 3.992 4.346 . 0 0 "[ . 1 . 2]" 1
292 1 22 ASP HB2 1 23 ALA H 5.000 . 6.000 4.505 4.400 4.568 . 0 0 "[ . 1 . 2]" 1
293 1 23 ALA H 1 24 SER H 3.000 . 3.500 2.715 2.643 2.775 . 0 0 "[ . 1 . 2]" 1
294 1 23 ALA HA 1 24 SER H 3.000 . 3.500 3.517 3.487 3.533 0.033 17 0 "[ . 1 . 2]" 1
295 1 23 ALA MB 1 24 SER H 4.000 . 4.750 2.662 2.493 2.863 . 0 0 "[ . 1 . 2]" 1
296 1 23 ALA MB 1 24 SER QB 5.000 . 6.000 4.107 3.848 4.442 . 0 0 "[ . 1 . 2]" 1
297 1 24 SER H 1 25 ALA H 3.000 . 3.500 2.671 2.616 2.735 . 0 0 "[ . 1 . 2]" 1
298 1 24 SER H 1 25 ALA MB 5.000 . 6.000 4.396 4.309 4.482 . 0 0 "[ . 1 . 2]" 1
299 1 24 SER HA 1 25 ALA H 3.000 . 3.500 3.491 3.478 3.511 0.011 14 0 "[ . 1 . 2]" 1
300 1 24 SER QB 1 25 ALA H 4.000 . 4.750 2.958 2.745 3.552 . 0 0 "[ . 1 . 2]" 1
301 1 24 SER QB 1 25 ALA MB 5.000 . 6.000 3.798 3.557 4.335 . 0 0 "[ . 1 . 2]" 1
302 1 25 ALA H 1 26 ILE H 3.000 . 3.500 2.517 2.316 2.660 . 0 0 "[ . 1 . 2]" 1
303 1 25 ALA H 1 26 ILE HB 5.000 . 6.000 4.677 4.557 4.963 . 0 0 "[ . 1 . 2]" 1
304 1 25 ALA H 1 26 ILE HG13 4.000 . 4.750 3.509 3.147 3.789 . 0 0 "[ . 1 . 2]" 1
305 1 25 ALA HA 1 26 ILE H 4.000 . 4.750 3.237 3.100 3.463 . 0 0 "[ . 1 . 2]" 1
306 1 25 ALA MB 1 26 ILE H 4.000 . 4.750 3.299 2.878 3.527 . 0 0 "[ . 1 . 2]" 1
307 1 25 ALA MB 1 26 ILE HA 5.000 . 6.000 4.120 3.928 4.251 . 0 0 "[ . 1 . 2]" 1
308 1 25 ALA MB 1 26 ILE HG13 4.000 . 4.750 2.947 2.763 3.112 . 0 0 "[ . 1 . 2]" 1
309 1 25 ALA MB 1 26 ILE MD 5.000 . 6.000 3.894 3.761 4.058 . 0 0 "[ . 1 . 2]" 1
310 1 26 ILE H 1 27 LYS H 4.000 . 4.750 4.366 4.161 4.570 . 0 0 "[ . 1 . 2]" 1
311 1 26 ILE HA 1 27 LYS H 2.500 . 2.800 2.171 2.140 2.254 . 0 0 "[ . 1 . 2]" 1
312 1 26 ILE HB 1 27 LYS H 4.000 . 4.750 4.044 3.766 4.221 . 0 0 "[ . 1 . 2]" 1
313 1 26 ILE HG12 1 27 LYS H 5.000 . 6.000 4.620 4.450 4.797 . 0 0 "[ . 1 . 2]" 1
314 1 26 ILE MG 1 27 LYS H 4.000 . 4.750 2.545 2.154 2.823 . 0 0 "[ . 1 . 2]" 1
315 1 26 ILE MG 1 27 LYS HA 5.000 . 6.000 4.100 3.883 4.340 . 0 0 "[ . 1 . 2]" 1
316 1 27 LYS HA 1 28 GLY H 2.500 . 2.800 2.215 2.144 2.459 . 0 0 "[ . 1 . 2]" 1
317 1 27 LYS HA 1 28 GLY QA 5.000 . 6.000 3.901 3.893 3.929 . 0 0 "[ . 1 . 2]" 1
318 1 27 LYS QB 1 28 GLY H 3.000 . 3.500 3.147 2.318 3.478 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS QG 1 28 GLY H 4.000 . 4.750 3.700 2.354 4.475 . 0 0 "[ . 1 . 2]" 1
320 1 27 LYS QD 1 28 GLY H 4.000 . 4.750 3.743 2.495 4.748 . 0 0 "[ . 1 . 2]" 1
321 1 28 GLY QA 1 29 THR H 4.000 . 4.750 2.227 2.108 2.664 . 0 0 "[ . 1 . 2]" 1
322 1 29 THR H 1 30 GLY H 3.000 . 3.500 2.854 1.996 3.499 . 0 0 "[ . 1 . 2]" 1
323 1 29 THR HA 1 30 GLY H 3.000 . 3.500 2.726 2.308 3.550 0.050 15 0 "[ . 1 . 2]" 1
324 1 29 THR HB 1 30 GLY H 4.000 . 4.750 4.318 1.966 4.641 . 0 0 "[ . 1 . 2]" 1
325 1 29 THR MG 1 30 GLY H 5.000 . 6.000 4.162 3.589 4.435 . 0 0 "[ . 1 . 2]" 1
326 1 30 GLY H 1 31 VAL H 4.000 . 4.750 3.159 2.330 4.232 . 0 0 "[ . 1 . 2]" 1
327 1 30 GLY QA 1 31 VAL H 2.500 . 2.800 2.399 2.111 2.781 . 0 0 "[ . 1 . 2]" 1
328 1 30 GLY QA 1 31 VAL HA 4.000 . 4.750 4.116 3.933 4.499 . 0 0 "[ . 1 . 2]" 1
329 1 31 VAL HA 1 32 GLY H 4.000 . 4.750 2.815 2.144 3.573 . 0 0 "[ . 1 . 2]" 1
330 1 32 GLY QA 1 33 GLY H 3.000 . 3.500 2.739 2.563 2.930 . 0 0 "[ . 1 . 2]" 1
331 1 33 GLY H 1 34 ARG H 3.000 . 3.500 2.466 1.972 3.406 . 0 0 "[ . 1 . 2]" 1
332 1 33 GLY QA 1 34 ARG H 4.000 . 4.750 2.679 2.202 2.898 . 0 0 "[ . 1 . 2]" 1
333 1 34 ARG HA 1 35 LEU H 2.500 . 2.800 2.304 2.222 2.458 . 0 0 "[ . 1 . 2]" 1
334 1 34 ARG QB 1 35 LEU H 3.000 . 3.500 2.803 2.347 3.529 0.029 6 0 "[ . 1 . 2]" 1
335 1 34 ARG QG 1 35 LEU H 5.000 . 6.000 3.910 2.181 4.485 . 0 0 "[ . 1 . 2]" 1
336 1 34 ARG QD 1 35 LEU H 5.000 . 6.000 4.742 3.382 5.390 . 0 0 "[ . 1 . 2]" 1
337 1 35 LEU H 1 36 THR H 5.000 . 6.000 4.479 4.425 4.547 . 0 0 "[ . 1 . 2]" 1
338 1 35 LEU HA 1 36 THR H 2.500 . 2.800 2.204 2.171 2.279 . 0 0 "[ . 1 . 2]" 1
339 1 35 LEU HA 1 36 THR MG 5.000 . 6.000 3.304 3.235 3.475 . 0 0 "[ . 1 . 2]" 1
340 1 35 LEU HG 1 36 THR H 4.000 . 4.750 3.537 3.372 3.625 . 0 0 "[ . 1 . 2]" 1
341 1 35 LEU HG 1 36 THR MG 4.000 . 4.750 4.810 4.787 4.844 0.094 9 0 "[ . 1 . 2]" 1
342 1 35 LEU MD1 1 36 THR H 5.000 . 6.000 3.855 2.932 4.346 . 0 0 "[ . 1 . 2]" 1
343 1 35 LEU MD2 1 36 THR H 5.000 . 6.000 4.610 4.412 4.829 . 0 0 "[ . 1 . 2]" 1
344 1 35 LEU QB 1 36 THR H 4.000 . 4.750 3.119 2.807 3.471 . 0 0 "[ . 1 . 2]" 1
345 1 36 THR HA 1 37 ARG H 3.000 . 3.500 2.556 2.519 2.569 . 0 0 "[ . 1 . 2]" 1
346 1 36 THR HB 1 37 ARG H 3.000 . 3.500 2.266 2.156 2.322 . 0 0 "[ . 1 . 2]" 1
347 1 36 THR MG 1 37 ARG H 5.000 . 6.000 3.803 3.652 3.856 . 0 0 "[ . 1 . 2]" 1
348 1 37 ARG H 1 38 GLU H 3.000 . 3.500 2.721 2.699 2.794 . 0 0 "[ . 1 . 2]" 1
349 1 37 ARG HA 1 38 GLU H 4.000 . 4.750 3.495 3.476 3.548 . 0 0 "[ . 1 . 2]" 1
350 1 37 ARG QB 1 38 GLU H 3.000 . 3.500 2.886 2.480 3.521 0.021 8 0 "[ . 1 . 2]" 1
351 1 37 ARG QG 1 38 GLU H 5.000 . 6.000 3.815 2.175 4.452 . 0 0 "[ . 1 . 2]" 1
352 1 37 ARG QG 1 38 GLU HA 5.000 . 6.000 4.111 3.331 4.878 . 0 0 "[ . 1 . 2]" 1
353 1 37 ARG QD 1 38 GLU H 5.000 . 6.000 4.875 4.092 5.464 . 0 0 "[ . 1 . 2]" 1
354 1 38 GLU H 1 39 ASP H 3.000 . 3.500 2.464 2.428 2.620 . 0 0 "[ . 1 . 2]" 1
355 1 38 GLU HA 1 39 ASP H 4.000 . 4.750 3.501 3.494 3.511 . 0 0 "[ . 1 . 2]" 1
356 1 38 GLU QB 1 39 ASP H 3.000 . 3.500 2.905 2.701 3.508 0.008 1 0 "[ . 1 . 2]" 1
357 1 38 GLU QG 1 39 ASP H 4.000 . 4.750 3.817 1.924 4.536 . 0 0 "[ . 1 . 2]" 1
358 1 39 ASP H 1 40 VAL H 3.000 . 3.500 2.482 2.451 2.525 . 0 0 "[ . 1 . 2]" 1
359 1 39 ASP H 1 40 VAL MG2 5.000 . 6.000 3.426 3.362 3.479 . 0 0 "[ . 1 . 2]" 1
360 1 39 ASP HA 1 40 VAL H 4.000 . 4.750 3.513 3.494 3.531 . 0 0 "[ . 1 . 2]" 1
361 1 39 ASP HB3 1 40 VAL H 4.000 . 4.750 3.679 3.594 3.776 . 0 0 "[ . 1 . 2]" 1
362 1 39 ASP HB3 1 40 VAL MG2 5.000 . 6.000 4.143 3.951 4.309 . 0 0 "[ . 1 . 2]" 1
363 1 39 ASP HB2 1 40 VAL H 3.000 . 3.500 2.745 2.603 2.862 . 0 0 "[ . 1 . 2]" 1
364 1 39 ASP HB2 1 40 VAL MG2 5.000 . 6.000 3.167 3.014 3.376 . 0 0 "[ . 1 . 2]" 1
365 1 40 VAL H 1 41 GLU H 2.500 . 2.800 2.550 2.507 2.609 . 0 0 "[ . 1 . 2]" 1
366 1 40 VAL HA 1 41 GLU H 4.000 . 4.750 3.558 3.535 3.571 . 0 0 "[ . 1 . 2]" 1
367 1 40 VAL HB 1 41 GLU H 3.000 . 3.500 2.765 2.691 2.924 . 0 0 "[ . 1 . 2]" 1
368 1 40 VAL MG1 1 41 GLU H 5.000 . 6.000 4.084 4.047 4.161 . 0 0 "[ . 1 . 2]" 1
369 1 40 VAL MG1 1 41 GLU HA 4.000 . 4.750 4.629 4.574 4.698 . 0 0 "[ . 1 . 2]" 1
370 1 40 VAL MG2 1 41 GLU H 5.000 . 6.000 2.986 2.886 3.178 . 0 0 "[ . 1 . 2]" 1
371 1 41 GLU H 1 42 LYS H 3.000 . 3.500 2.670 2.610 2.712 . 0 0 "[ . 1 . 2]" 1
372 1 41 GLU HA 1 42 LYS H 3.000 . 3.500 3.529 3.521 3.547 0.047 14 0 "[ . 1 . 2]" 1
373 1 41 GLU QB 1 42 LYS H 3.000 . 3.500 3.243 2.419 3.408 . 0 0 "[ . 1 . 2]" 1
374 1 41 GLU QG 1 42 LYS H 3.000 . 3.500 2.287 1.970 3.559 0.059 9 0 "[ . 1 . 2]" 1
375 1 42 LYS H 1 43 HIS H 3.000 . 3.500 2.599 2.558 2.662 . 0 0 "[ . 1 . 2]" 1
376 1 42 LYS HA 1 43 HIS H 3.000 . 3.500 3.518 3.507 3.529 0.029 9 0 "[ . 1 . 2]" 1
377 1 42 LYS QB 1 43 HIS H 3.000 . 3.500 2.721 2.511 3.425 . 0 0 "[ . 1 . 2]" 1
378 1 42 LYS QG 1 43 HIS H 4.000 . 4.750 4.094 1.925 4.477 . 0 0 "[ . 1 . 2]" 1
379 1 42 LYS QD 1 43 HIS H 5.000 . 6.000 4.649 2.989 5.062 . 0 0 "[ . 1 . 2]" 1
380 1 43 HIS H 1 44 LEU H 3.000 . 3.500 2.454 2.421 2.482 . 0 0 "[ . 1 . 2]" 1
381 1 43 HIS HA 1 44 LEU H 4.000 . 4.750 3.494 3.487 3.505 . 0 0 "[ . 1 . 2]" 1
382 1 43 HIS HB3 1 44 LEU H 3.000 . 3.500 2.750 2.700 2.793 . 0 0 "[ . 1 . 2]" 1
383 1 43 HIS HB3 1 44 LEU HG 4.000 . 4.750 3.853 3.598 3.995 . 0 0 "[ . 1 . 2]" 1
384 1 43 HIS HB2 1 44 LEU H 4.000 . 4.750 3.972 3.934 4.040 . 0 0 "[ . 1 . 2]" 1
385 1 43 HIS HD2 1 44 LEU H 4.000 . 4.750 3.872 3.523 4.058 . 0 0 "[ . 1 . 2]" 1
386 1 43 HIS HD2 1 44 LEU HA 4.000 . 4.750 3.146 2.694 3.416 . 0 0 "[ . 1 . 2]" 1
387 1 43 HIS HD2 1 44 LEU HB3 5.000 . 6.000 5.564 4.959 5.832 . 0 0 "[ . 1 . 2]" 1
388 1 43 HIS HD2 1 44 LEU HG 4.000 . 4.750 4.031 3.482 4.411 . 0 0 "[ . 1 . 2]" 1
389 1 43 HIS HD2 1 44 LEU MD1 5.000 . 6.000 5.354 4.884 5.586 . 0 0 "[ . 1 . 2]" 1
390 1 43 HIS HD2 1 44 LEU MD2 4.000 . 4.750 3.320 2.747 3.772 . 0 0 "[ . 1 . 2]" 1
391 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.658 2.548 2.719 . 0 0 "[ . 1 . 2]" 1
392 1 44 LEU H 1 45 ALA MB 5.000 . 6.000 4.342 4.178 4.447 . 0 0 "[ . 1 . 2]" 1
393 1 44 LEU HA 1 45 ALA H 3.000 . 3.500 3.506 3.485 3.521 0.021 15 0 "[ . 1 . 2]" 1
394 1 44 LEU HB3 1 45 ALA H 4.000 . 4.750 3.524 3.345 3.667 . 0 0 "[ . 1 . 2]" 1
395 1 44 LEU HB2 1 45 ALA H 3.000 . 3.500 2.835 2.758 2.937 . 0 0 "[ . 1 . 2]" 1
396 1 44 LEU HG 1 45 ALA H 4.000 . 4.750 4.699 4.545 4.758 0.008 8 0 "[ . 1 . 2]" 1
397 1 44 LEU MD1 1 45 ALA H 5.000 . 6.000 4.717 4.650 4.830 . 0 0 "[ . 1 . 2]" 1
398 1 44 LEU MD2 1 45 ALA H 5.000 . 6.000 4.711 4.635 4.791 . 0 0 "[ . 1 . 2]" 1
399 1 45 ALA H 1 46 LYS H 3.000 . 3.500 2.373 2.290 2.471 . 0 0 "[ . 1 . 2]" 1
400 1 45 ALA HA 1 46 LYS H 3.000 . 3.500 3.493 3.461 3.507 0.007 14 0 "[ . 1 . 2]" 1
401 1 45 ALA MB 1 46 LYS H 4.000 . 4.750 2.801 2.692 2.935 . 0 0 "[ . 1 . 2]" 1
402 1 46 LYS H 1 47 ALA H 3.000 . 3.500 2.891 2.467 3.496 . 0 0 "[ . 1 . 2]" 1
403 1 46 LYS HA 1 47 ALA H 3.000 . 3.500 3.073 2.457 3.505 0.005 1 0 "[ . 1 . 2]" 1
404 1 46 LYS QB 1 47 ALA H 4.000 . 4.750 3.416 2.756 4.046 . 0 0 "[ . 1 . 2]" 1
405 1 46 LYS QG 1 47 ALA H 4.000 . 4.750 4.411 3.874 4.631 . 0 0 "[ . 1 . 2]" 1
406 1 10 PRO HA 1 12 ILE H 5.000 . 6.000 4.500 4.351 4.749 . 0 0 "[ . 1 . 2]" 1
407 1 11 ALA HA 1 13 ARG H 5.000 . 6.000 4.206 4.171 4.263 . 0 0 "[ . 1 . 2]" 1
408 1 12 ILE H 1 14 ARG H 4.000 . 4.750 4.191 4.103 4.312 . 0 0 "[ . 1 . 2]" 1
409 1 12 ILE HA 1 14 ARG H 5.000 . 6.000 4.351 4.308 4.388 . 0 0 "[ . 1 . 2]" 1
410 1 13 ARG H 1 15 LEU H 4.000 . 4.750 4.028 3.938 4.099 . 0 0 "[ . 1 . 2]" 1
411 1 13 ARG HA 1 15 LEU H 4.000 . 4.750 4.600 4.405 4.657 . 0 0 "[ . 1 . 2]" 1
412 1 14 ARG H 1 16 LEU H 4.000 . 4.750 3.929 3.878 4.051 . 0 0 "[ . 1 . 2]" 1
413 1 14 ARG HA 1 16 LEU H 4.000 . 4.750 4.364 4.278 4.498 . 0 0 "[ . 1 . 2]" 1
414 1 15 LEU H 1 17 ALA H 4.000 . 4.750 4.215 4.123 4.282 . 0 0 "[ . 1 . 2]" 1
415 1 15 LEU HA 1 17 ALA H 5.000 . 6.000 4.409 4.277 4.477 . 0 0 "[ . 1 . 2]" 1
416 1 16 LEU HA 1 18 GLU H 4.000 . 4.750 4.768 4.759 4.785 0.035 1 0 "[ . 1 . 2]" 1
417 1 17 ALA H 1 19 TRP H 4.000 . 4.750 4.034 3.841 4.091 . 0 0 "[ . 1 . 2]" 1
418 1 17 ALA HA 1 19 TRP H 4.000 . 4.750 4.671 4.313 4.707 . 0 0 "[ . 1 . 2]" 1
419 1 17 ALA MB 1 19 TRP H 5.000 . 6.000 4.504 4.345 4.560 . 0 0 "[ . 1 . 2]" 1
420 1 18 GLU H 1 20 ASN H 4.000 . 4.750 3.618 3.590 3.787 . 0 0 "[ . 1 . 2]" 1
421 1 18 GLU HA 1 20 ASN H 4.000 . 4.750 3.997 3.920 4.104 . 0 0 "[ . 1 . 2]" 1
422 1 19 TRP H 1 21 LEU H 4.000 . 4.750 4.394 4.292 4.678 . 0 0 "[ . 1 . 2]" 1
423 1 19 TRP H 1 21 LEU MD1 5.000 . 6.000 5.128 4.455 5.593 . 0 0 "[ . 1 . 2]" 1
424 1 19 TRP HB3 1 21 LEU H 5.000 . 6.000 4.476 4.337 4.898 . 0 0 "[ . 1 . 2]" 1
425 1 19 TRP HB3 1 21 LEU HB2 4.000 . 4.750 4.268 3.856 4.754 0.004 13 0 "[ . 1 . 2]" 1
426 1 19 TRP HB3 1 21 LEU HG 3.000 . 3.500 2.640 2.322 2.887 . 0 0 "[ . 1 . 2]" 1
427 1 19 TRP HB3 1 21 LEU MD1 4.000 . 4.750 2.780 2.248 3.326 . 0 0 "[ . 1 . 2]" 1
428 1 19 TRP HB3 1 21 LEU MD2 5.000 . 6.000 3.836 2.393 4.382 . 0 0 "[ . 1 . 2]" 1
429 1 19 TRP HB2 1 21 LEU H 5.000 . 6.000 3.626 3.490 3.972 . 0 0 "[ . 1 . 2]" 1
430 1 19 TRP HB2 1 21 LEU HG 3.000 . 3.500 2.996 2.229 3.496 . 0 0 "[ . 1 . 2]" 1
431 1 19 TRP HB2 1 21 LEU MD1 4.000 . 4.750 2.983 2.336 3.451 . 0 0 "[ . 1 . 2]" 1
432 1 19 TRP HB2 1 21 LEU MD2 5.000 . 6.000 4.486 3.412 4.940 . 0 0 "[ . 1 . 2]" 1
433 1 19 TRP HE3 1 21 LEU MD1 5.000 . 6.000 3.294 2.872 3.698 . 0 0 "[ . 1 . 2]" 1
434 1 19 TRP HE3 1 21 LEU MD2 5.000 . 6.000 4.408 3.222 4.964 . 0 0 "[ . 1 . 2]" 1
435 1 22 ASP HA 1 24 SER H 4.000 . 4.750 3.775 3.623 3.929 . 0 0 "[ . 1 . 2]" 1
436 1 22 ASP HB3 1 24 SER H 4.000 . 4.750 4.022 3.675 4.426 . 0 0 "[ . 1 . 2]" 1
437 1 22 ASP HB2 1 24 SER H 5.000 . 6.000 5.010 4.733 5.214 . 0 0 "[ . 1 . 2]" 1
438 1 23 ALA HA 1 25 ALA H 4.000 . 4.750 4.001 3.811 4.194 . 0 0 "[ . 1 . 2]" 1
439 1 23 ALA MB 1 25 ALA H 5.000 . 6.000 4.399 4.321 4.468 . 0 0 "[ . 1 . 2]" 1
440 1 24 SER HA 1 26 ILE H 4.000 . 4.750 3.841 3.595 4.214 . 0 0 "[ . 1 . 2]" 1
441 1 26 ILE MG 1 28 GLY H 5.000 . 6.000 4.752 4.213 4.958 . 0 0 "[ . 1 . 2]" 1
442 1 28 GLY QA 1 30 GLY H 4.000 . 4.750 3.680 3.174 4.487 . 0 0 "[ . 1 . 2]" 1
443 1 31 VAL HA 1 33 GLY H 4.000 . 4.750 4.368 3.732 4.753 0.003 5 0 "[ . 1 . 2]" 1
444 1 32 GLY QA 1 34 ARG H 5.000 . 6.000 4.290 3.393 5.369 . 0 0 "[ . 1 . 2]" 1
445 1 34 ARG QB 1 36 THR MG 5.000 . 6.000 4.073 3.607 4.703 . 0 0 "[ . 1 . 2]" 1
446 1 36 THR HA 1 38 GLU H 4.000 . 4.750 4.324 4.236 4.603 . 0 0 "[ . 1 . 2]" 1
447 1 36 THR HB 1 38 GLU H 3.000 . 3.500 3.271 3.002 3.499 . 0 0 "[ . 1 . 2]" 1
448 1 36 THR MG 1 38 GLU H 5.000 . 6.000 4.229 4.126 4.460 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLU H 1 40 VAL H 5.000 . 6.000 3.963 3.883 4.120 . 0 0 "[ . 1 . 2]" 1
450 1 38 GLU HA 1 40 VAL H 4.000 . 4.750 4.343 4.227 4.477 . 0 0 "[ . 1 . 2]" 1
451 1 39 ASP H 1 41 GLU H 5.000 . 6.000 4.046 3.943 4.137 . 0 0 "[ . 1 . 2]" 1
452 1 39 ASP HA 1 41 GLU H 5.000 . 6.000 4.602 4.417 4.679 . 0 0 "[ . 1 . 2]" 1
453 1 40 VAL H 1 42 LYS H 4.000 . 4.750 3.990 3.916 4.108 . 0 0 "[ . 1 . 2]" 1
454 1 40 VAL HA 1 42 LYS H 5.000 . 6.000 4.382 4.301 4.553 . 0 0 "[ . 1 . 2]" 1
455 1 41 GLU H 1 43 HIS H 5.000 . 6.000 4.033 3.944 4.093 . 0 0 "[ . 1 . 2]" 1
456 1 41 GLU HA 1 43 HIS H 5.000 . 6.000 4.350 4.277 4.405 . 0 0 "[ . 1 . 2]" 1
457 1 42 LYS H 1 44 LEU H 4.000 . 4.750 3.863 3.839 3.959 . 0 0 "[ . 1 . 2]" 1
458 1 42 LYS HA 1 44 LEU H 5.000 . 6.000 4.315 4.231 4.392 . 0 0 "[ . 1 . 2]" 1
459 1 43 HIS H 1 45 ALA H 4.000 . 4.750 4.082 3.994 4.191 . 0 0 "[ . 1 . 2]" 1
460 1 43 HIS HA 1 45 ALA H 4.000 . 4.750 4.105 3.940 4.291 . 0 0 "[ . 1 . 2]" 1
461 1 44 LEU HA 1 46 LYS H 5.000 . 6.000 4.371 4.134 4.541 . 0 0 "[ . 1 . 2]" 1
462 1 9 SER H 1 12 ILE H 5.000 . 6.000 3.205 3.074 3.671 . 0 0 "[ . 1 . 2]" 1
463 1 9 SER H 1 12 ILE HB 4.000 . 4.750 2.019 1.911 2.473 . 0 0 "[ . 1 . 2]" 1
464 1 9 SER H 1 12 ILE MD 5.000 . 6.000 3.414 1.828 3.984 . 0 0 "[ . 1 . 2]" 1
465 1 9 SER H 1 12 ILE QG 5.000 . 6.000 2.324 1.974 3.379 . 0 0 "[ . 1 . 2]" 1
466 1 9 SER QB 1 12 ILE H 4.000 . 4.750 2.900 2.645 3.816 . 0 0 "[ . 1 . 2]" 1
467 1 9 SER QB 1 12 ILE HB 4.000 . 4.750 3.846 3.423 4.341 . 0 0 "[ . 1 . 2]" 1
468 1 9 SER QB 1 12 ILE MD 5.000 . 6.000 3.365 1.839 4.459 . 0 0 "[ . 1 . 2]" 1
469 1 9 SER QB 1 12 ILE QG 5.000 . 6.000 2.614 2.035 3.989 . 0 0 "[ . 1 . 2]" 1
470 1 10 PRO HA 1 13 ARG H 3.000 . 3.500 3.545 3.535 3.577 0.077 17 0 "[ . 1 . 2]" 1
471 1 10 PRO HA 1 13 ARG QB 3.000 . 3.500 2.734 2.519 2.928 . 0 0 "[ . 1 . 2]" 1
472 1 10 PRO HA 1 13 ARG QD 4.000 . 4.750 3.695 2.106 4.723 . 0 0 "[ . 1 . 2]" 1
473 1 11 ALA HA 1 14 ARG H 3.000 . 3.500 3.534 3.525 3.564 0.064 1 0 "[ . 1 . 2]" 1
474 1 11 ALA HA 1 14 ARG QB 3.000 . 3.500 2.961 2.864 3.507 0.007 1 0 "[ . 1 . 2]" 1
475 1 12 ILE H 1 15 LEU H 4.000 . 4.750 4.669 4.619 4.758 0.008 14 0 "[ . 1 . 2]" 1
476 1 12 ILE HA 1 15 LEU H 3.000 . 3.500 3.321 3.267 3.379 . 0 0 "[ . 1 . 2]" 1
477 1 12 ILE HA 1 15 LEU HB3 3.000 . 3.500 3.550 3.540 3.558 0.058 18 0 "[ . 1 . 2]" 1
478 1 12 ILE HA 1 15 LEU HB2 3.000 . 3.500 2.190 2.119 2.235 . 0 0 "[ . 1 . 2]" 1
479 1 12 ILE HA 1 15 LEU HG 4.000 . 4.750 4.763 4.755 4.778 0.028 11 0 "[ . 1 . 2]" 1
480 1 12 ILE HA 1 15 LEU MD1 5.000 . 6.000 2.536 2.371 2.719 . 0 0 "[ . 1 . 2]" 1
481 1 12 ILE MD 1 15 LEU HB2 5.000 . 6.000 3.804 3.353 5.633 . 0 0 "[ . 1 . 2]" 1
482 1 13 ARG HA 1 16 LEU H 3.000 . 3.500 3.498 3.456 3.529 0.029 19 0 "[ . 1 . 2]" 1
483 1 13 ARG HA 1 16 LEU HB3 4.000 . 4.750 3.871 3.800 3.996 . 0 0 "[ . 1 . 2]" 1
484 1 13 ARG HA 1 16 LEU HB2 3.000 . 3.500 2.415 2.344 2.487 . 0 0 "[ . 1 . 2]" 1
485 1 13 ARG HA 1 16 LEU HG 3.000 . 3.500 3.527 3.480 3.547 0.047 3 0 "[ . 1 . 2]" 1
486 1 13 ARG HA 1 16 LEU MD1 3.000 . 3.500 3.069 2.683 3.487 . 0 0 "[ . 1 . 2]" 1
487 1 13 ARG HA 1 16 LEU MD2 5.000 . 6.000 4.795 4.704 4.834 . 0 0 "[ . 1 . 2]" 1
488 1 14 ARG H 1 17 ALA H 5.000 . 6.000 4.747 4.693 4.777 . 0 0 "[ . 1 . 2]" 1
489 1 14 ARG HA 1 17 ALA H 3.000 . 3.500 3.485 3.428 3.518 0.018 20 0 "[ . 1 . 2]" 1
490 1 14 ARG HA 1 17 ALA MB 3.000 . 3.500 2.896 2.660 3.095 . 0 0 "[ . 1 . 2]" 1
491 1 15 LEU HA 1 18 GLU H 3.000 . 3.500 3.505 3.493 3.516 0.016 9 0 "[ . 1 . 2]" 1
492 1 15 LEU HA 1 18 GLU QB 3.000 . 3.500 3.028 2.933 3.509 0.009 20 0 "[ . 1 . 2]" 1
493 1 15 LEU HA 1 18 GLU QG 3.000 . 3.500 2.854 2.187 3.173 . 0 0 "[ . 1 . 2]" 1
494 1 16 LEU HA 1 19 TRP H 4.000 . 4.750 3.915 3.732 3.964 . 0 0 "[ . 1 . 2]" 1
495 1 16 LEU HA 1 19 TRP HB3 5.000 . 6.000 4.735 4.503 4.885 . 0 0 "[ . 1 . 2]" 1
496 1 16 LEU HA 1 19 TRP HB2 4.000 . 4.750 3.211 3.036 3.313 . 0 0 "[ . 1 . 2]" 1
497 1 16 LEU HA 1 19 TRP HD1 5.000 . 6.000 4.933 4.862 4.983 . 0 0 "[ . 1 . 2]" 1
498 1 17 ALA HA 1 20 ASN H 3.000 . 3.500 3.532 3.524 3.543 0.043 1 0 "[ . 1 . 2]" 1
499 1 17 ALA MB 1 20 ASN H 5.000 . 6.000 4.462 4.445 4.532 . 0 0 "[ . 1 . 2]" 1
500 1 22 ASP H 1 25 ALA MB 5.000 . 6.000 3.739 3.305 4.166 . 0 0 "[ . 1 . 2]" 1
501 1 22 ASP HB3 1 25 ALA H 4.000 . 4.750 2.677 2.372 3.135 . 0 0 "[ . 1 . 2]" 1
502 1 22 ASP HB3 1 25 ALA MB 4.000 . 4.750 2.196 1.896 2.827 . 0 0 "[ . 1 . 2]" 1
503 1 22 ASP HB2 1 25 ALA H 5.000 . 6.000 4.315 4.100 4.656 . 0 0 "[ . 1 . 2]" 1
504 1 22 ASP HB2 1 25 ALA MB 5.000 . 6.000 3.515 3.033 4.268 . 0 0 "[ . 1 . 2]" 1
505 1 23 ALA HA 1 26 ILE H 4.000 . 4.750 3.419 3.068 3.724 . 0 0 "[ . 1 . 2]" 1
506 1 23 ALA HA 1 26 ILE HB 4.000 . 4.750 2.637 2.394 2.952 . 0 0 "[ . 1 . 2]" 1
507 1 23 ALA HA 1 26 ILE MD 4.000 . 4.750 2.233 1.965 2.838 . 0 0 "[ . 1 . 2]" 1
508 1 23 ALA MB 1 26 ILE MD 5.000 . 6.000 3.528 3.297 4.025 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL MG1 1 34 ARG QD 5.000 . 6.000 3.938 1.922 5.480 . 0 0 "[ . 1 . 2]" 1
510 1 36 THR H 1 39 ASP H 4.000 . 4.750 3.138 2.977 3.294 . 0 0 "[ . 1 . 2]" 1
511 1 36 THR H 1 39 ASP HB3 4.000 . 4.750 3.508 3.284 3.825 . 0 0 "[ . 1 . 2]" 1
512 1 36 THR H 1 39 ASP HB2 3.000 . 3.500 2.117 1.984 2.406 . 0 0 "[ . 1 . 2]" 1
513 1 36 THR HB 1 39 ASP H 4.000 . 4.750 4.283 4.088 4.452 . 0 0 "[ . 1 . 2]" 1
514 1 36 THR MG 1 39 ASP H 5.000 . 6.000 4.158 4.078 4.368 . 0 0 "[ . 1 . 2]" 1
515 1 36 THR MG 1 39 ASP HB2 5.000 . 6.000 4.127 3.927 4.422 . 0 0 "[ . 1 . 2]" 1
516 1 37 ARG HA 1 40 VAL H 4.000 . 4.750 3.355 3.291 3.406 . 0 0 "[ . 1 . 2]" 1
517 1 37 ARG HA 1 40 VAL HB 3.000 . 3.500 3.519 3.464 3.547 0.047 9 0 "[ . 1 . 2]" 1
518 1 37 ARG HA 1 40 VAL MG1 5.000 . 6.000 4.391 4.288 4.473 . 0 0 "[ . 1 . 2]" 1
519 1 37 ARG HA 1 40 VAL MG2 4.000 . 4.750 1.793 1.760 1.836 0.040 9 0 "[ . 1 . 2]" 1
520 1 38 GLU HA 1 41 GLU H 3.000 . 3.500 3.517 3.412 3.548 0.048 17 0 "[ . 1 . 2]" 1
521 1 38 GLU HA 1 41 GLU QB 3.000 . 3.500 3.343 3.023 3.506 0.006 15 0 "[ . 1 . 2]" 1
522 1 38 GLU HA 1 41 GLU QG 3.000 . 3.500 1.918 1.813 2.121 . 0 0 "[ . 1 . 2]" 1
523 1 39 ASP HA 1 42 LYS H 4.000 . 4.750 3.633 3.573 3.697 . 0 0 "[ . 1 . 2]" 1
524 1 39 ASP HA 1 42 LYS QB 3.000 . 3.500 2.740 2.525 3.510 0.010 8 0 "[ . 1 . 2]" 1
525 1 40 VAL HA 1 43 HIS H 4.000 . 4.750 3.281 3.226 3.398 . 0 0 "[ . 1 . 2]" 1
526 1 40 VAL HA 1 43 HIS HB3 3.000 . 3.500 2.425 2.283 2.588 . 0 0 "[ . 1 . 2]" 1
527 1 40 VAL HA 1 43 HIS HB2 3.000 . 3.500 3.521 3.512 3.528 0.028 11 0 "[ . 1 . 2]" 1
528 1 40 VAL HA 1 43 HIS HD2 5.000 . 6.000 4.641 4.421 5.065 . 0 0 "[ . 1 . 2]" 1
529 1 40 VAL MG1 1 43 HIS HB3 5.000 . 6.000 3.288 3.161 3.390 . 0 0 "[ . 1 . 2]" 1
530 1 40 VAL MG1 1 43 HIS HD2 5.000 . 6.000 4.016 3.768 4.514 . 0 0 "[ . 1 . 2]" 1
531 1 41 GLU HA 1 44 LEU H 4.000 . 4.750 3.237 3.130 3.325 . 0 0 "[ . 1 . 2]" 1
532 1 41 GLU HA 1 44 LEU HB2 3.000 . 3.500 2.156 2.054 2.249 . 0 0 "[ . 1 . 2]" 1
533 1 41 GLU HA 1 44 LEU HG 3.000 . 3.500 3.237 2.917 3.511 0.011 12 0 "[ . 1 . 2]" 1
534 1 41 GLU HA 1 44 LEU MD1 4.000 . 4.750 2.151 1.968 2.496 . 0 0 "[ . 1 . 2]" 1
535 1 41 GLU HA 1 44 LEU MD2 5.000 . 6.000 4.363 4.216 4.587 . 0 0 "[ . 1 . 2]" 1
536 1 41 GLU QG 1 44 LEU HB2 4.000 . 4.750 4.737 4.565 4.774 0.024 14 0 "[ . 1 . 2]" 1
537 1 42 LYS HA 1 45 ALA H 4.000 . 4.750 3.663 3.509 3.753 . 0 0 "[ . 1 . 2]" 1
538 1 42 LYS HA 1 45 ALA MB 3.000 . 3.500 3.189 2.763 3.416 . 0 0 "[ . 1 . 2]" 1
539 1 43 HIS H 1 46 LYS H 4.000 . 4.750 4.708 4.539 4.778 0.028 4 0 "[ . 1 . 2]" 1
540 1 43 HIS HA 1 46 LYS H 3.000 . 3.500 3.180 3.065 3.370 . 0 0 "[ . 1 . 2]" 1
541 1 44 LEU HA 1 47 ALA H 5.000 . 6.000 4.304 3.709 5.161 . 0 0 "[ . 1 . 2]" 1
542 1 44 LEU HA 1 47 ALA MB 5.000 . 6.000 3.544 2.830 4.947 . 0 0 "[ . 1 . 2]" 1
543 1 8 LEU HA 1 12 ILE HB 5.000 . 6.000 3.369 3.132 3.793 . 0 0 "[ . 1 . 2]" 1
544 1 8 LEU HB3 1 12 ILE HB 4.000 . 4.750 1.828 1.793 1.905 0.007 18 0 "[ . 1 . 2]" 1
545 1 8 LEU HB2 1 12 ILE HB 3.000 . 3.500 3.457 2.404 3.551 0.051 5 0 "[ . 1 . 2]" 1
546 1 8 LEU HG 1 12 ILE HB 3.000 . 3.500 3.544 3.522 3.572 0.072 17 0 "[ . 1 . 2]" 1
547 1 10 PRO HA 1 14 ARG H 5.000 . 6.000 4.374 4.097 4.538 . 0 0 "[ . 1 . 2]" 1
548 1 12 ILE HA 1 16 LEU H 4.000 . 4.750 3.613 3.575 3.696 . 0 0 "[ . 1 . 2]" 1
549 1 12 ILE MG 1 16 LEU HB2 3.000 . 3.500 3.569 3.552 3.588 0.088 20 0 "[ . 1 . 2]" 1
550 1 12 ILE MG 1 16 LEU HG 3.000 . 3.500 1.891 1.812 1.980 . 0 0 "[ . 1 . 2]" 1
551 1 12 ILE MG 1 16 LEU MD2 4.000 . 4.750 2.927 2.840 3.024 . 0 0 "[ . 1 . 2]" 1
552 1 13 ARG HA 1 17 ALA H 4.000 . 4.750 4.198 4.128 4.250 . 0 0 "[ . 1 . 2]" 1
553 1 14 ARG HA 1 18 GLU H 4.000 . 4.750 4.013 3.907 4.203 . 0 0 "[ . 1 . 2]" 1
554 1 14 ARG QG 1 18 GLU QG 3.000 . 3.500 3.470 3.315 3.508 0.008 18 0 "[ . 1 . 2]" 1
555 1 15 LEU HA 1 19 TRP H 3.000 . 3.500 3.242 3.177 3.506 0.006 20 0 "[ . 1 . 2]" 1
556 1 15 LEU HA 1 19 TRP HD1 3.000 . 3.500 1.957 1.902 2.078 . 0 0 "[ . 1 . 2]" 1
557 1 15 LEU HB3 1 19 TRP HB3 4.000 . 4.750 4.809 4.793 4.820 0.070 20 0 "[ . 1 . 2]" 1
558 1 15 LEU HB3 1 19 TRP HB2 4.000 . 4.750 3.528 3.510 3.565 . 0 0 "[ . 1 . 2]" 1
559 1 15 LEU HB3 1 19 TRP HD1 3.000 . 3.500 3.478 3.328 3.506 0.006 9 0 "[ . 1 . 2]" 1
560 1 15 LEU HG 1 19 TRP HD1 3.000 . 3.500 3.409 3.179 3.492 . 0 0 "[ . 1 . 2]" 1
561 1 15 LEU MD1 1 19 TRP HD1 4.000 . 4.750 4.741 4.589 4.768 0.018 1 0 "[ . 1 . 2]" 1
562 1 15 LEU MD1 1 19 TRP HE1 5.000 . 6.000 4.132 4.035 4.266 . 0 0 "[ . 1 . 2]" 1
563 1 15 LEU MD2 1 19 TRP HD1 4.000 . 4.750 3.073 2.877 3.479 . 0 0 "[ . 1 . 2]" 1
564 1 15 LEU MD2 1 19 TRP HE1 5.000 . 6.000 2.293 2.154 2.717 . 0 0 "[ . 1 . 2]" 1
565 1 15 LEU MD2 1 19 TRP HZ3 5.000 . 6.000 4.669 4.536 4.974 . 0 0 "[ . 1 . 2]" 1
566 1 15 LEU MD2 1 19 TRP HH2 5.000 . 6.000 4.145 4.002 4.417 . 0 0 "[ . 1 . 2]" 1
567 1 16 LEU HA 1 20 ASN H 5.000 . 6.000 3.796 3.726 3.883 . 0 0 "[ . 1 . 2]" 1
568 1 17 ALA HA 1 21 LEU H 4.000 . 4.750 4.642 4.510 4.690 . 0 0 "[ . 1 . 2]" 1
569 1 29 THR HA 1 33 GLY QA 4.000 . 4.750 3.954 2.600 4.756 0.006 7 0 "[ . 1 . 2]" 1
570 1 30 GLY H 1 34 ARG QB 4.000 . 4.750 4.093 2.746 4.750 . 12 0 "[ . 1 . 2]" 1
571 1 30 GLY QA 1 34 ARG H 5.000 . 6.000 3.826 3.092 4.475 . 0 0 "[ . 1 . 2]" 1
572 1 35 LEU HA 1 39 ASP HB2 4.000 . 4.750 3.102 3.009 3.223 . 0 0 "[ . 1 . 2]" 1
573 1 35 LEU HG 1 39 ASP HB3 4.000 . 4.750 4.225 3.914 4.435 . 0 0 "[ . 1 . 2]" 1
574 1 35 LEU MD1 1 39 ASP H 5.000 . 6.000 4.091 3.162 4.980 . 0 0 "[ . 1 . 2]" 1
575 1 35 LEU MD1 1 39 ASP HB3 4.000 . 4.750 2.559 1.894 3.264 . 0 0 "[ . 1 . 2]" 1
576 1 35 LEU MD1 1 39 ASP HB2 4.000 . 4.750 2.516 1.793 3.251 0.007 1 0 "[ . 1 . 2]" 1
577 1 35 LEU MD2 1 39 ASP HB3 5.000 . 6.000 4.705 4.327 5.041 . 0 0 "[ . 1 . 2]" 1
578 1 35 LEU MD2 1 39 ASP HB2 5.000 . 6.000 4.387 4.235 4.610 . 0 0 "[ . 1 . 2]" 1
579 1 36 THR H 1 40 VAL H 5.000 . 6.000 4.275 4.018 4.476 . 0 0 "[ . 1 . 2]" 1
580 1 37 ARG HA 1 41 GLU H 4.000 . 4.750 3.811 3.661 4.095 . 0 0 "[ . 1 . 2]" 1
581 1 37 ARG QG 1 41 GLU QB 4.000 . 4.750 3.741 2.964 4.752 0.002 1 0 "[ . 1 . 2]" 1
582 1 37 ARG QG 1 41 GLU QG 4.000 . 4.750 4.226 2.593 4.764 0.014 17 0 "[ . 1 . 2]" 1
583 1 38 GLU HA 1 42 LYS H 4.000 . 4.750 3.899 3.816 4.045 . 0 0 "[ . 1 . 2]" 1
584 1 39 ASP HA 1 43 HIS H 5.000 . 6.000 4.114 3.948 4.241 . 0 0 "[ . 1 . 2]" 1
585 1 40 VAL HA 1 44 LEU H 5.000 . 6.000 3.799 3.678 3.888 . 0 0 "[ . 1 . 2]" 1
586 1 40 VAL MG1 1 44 LEU H 5.000 . 6.000 4.163 4.025 4.259 . 0 0 "[ . 1 . 2]" 1
587 1 40 VAL MG1 1 44 LEU HG 4.000 . 4.750 2.873 2.629 3.053 . 0 0 "[ . 1 . 2]" 1
588 1 40 VAL MG1 1 44 LEU MD1 5.000 . 6.000 3.246 2.986 3.552 . 0 0 "[ . 1 . 2]" 1
589 1 40 VAL MG1 1 44 LEU MD2 5.000 . 6.000 3.353 3.245 3.454 . 0 0 "[ . 1 . 2]" 1
590 1 40 VAL MG2 1 44 LEU HG 4.000 . 4.750 4.807 4.791 4.826 0.076 19 0 "[ . 1 . 2]" 1
591 1 41 GLU HA 1 45 ALA H 4.000 . 4.750 4.266 4.013 4.448 . 0 0 "[ . 1 . 2]" 1
592 1 41 GLU QG 1 45 ALA MB 5.000 . 6.000 4.952 4.160 6.013 0.013 18 0 "[ . 1 . 2]" 1
593 1 43 HIS HD2 1 47 ALA MB 5.000 . 6.000 3.485 2.592 4.324 . 0 0 "[ . 1 . 2]" 1
594 1 7 ALA MB 1 35 LEU H 5.000 . 6.000 3.800 3.176 4.274 . 0 0 "[ . 1 . 2]" 1
595 1 8 LEU HB3 1 13 ARG H 4.000 . 4.750 3.717 3.541 4.380 . 0 0 "[ . 1 . 2]" 1
596 1 8 LEU QD 1 13 ARG HA 4.000 . 4.750 3.853 3.025 4.641 . 0 0 "[ . 1 . 2]" 1
597 1 8 LEU HA 1 23 ALA MB 4.000 . 4.750 4.758 4.670 4.800 0.050 14 0 "[ . 1 . 2]" 1
598 1 8 LEU QD 1 23 ALA H 5.000 . 6.000 3.606 3.365 3.871 . 0 0 "[ . 1 . 2]" 1
599 1 8 LEU QD 1 23 ALA MB 3.000 . 3.500 1.771 1.722 1.787 0.078 14 0 "[ . 1 . 2]" 1
600 1 8 LEU QD 1 35 LEU H 5.000 . 6.000 3.012 1.952 3.834 . 0 0 "[ . 1 . 2]" 1
601 1 8 LEU QD 1 35 LEU QB 4.000 . 4.750 3.619 2.238 4.413 . 0 0 "[ . 1 . 2]" 1
602 1 11 ALA MB 1 37 ARG QD 5.000 . 6.000 4.020 2.511 5.444 . 0 0 "[ . 1 . 2]" 1
603 1 12 ILE QG 1 35 LEU HG 4.000 . 4.750 3.334 2.671 4.395 . 0 0 "[ . 1 . 2]" 1
604 1 12 ILE MD 1 36 THR HA 4.000 . 4.750 2.740 2.156 3.169 . 0 0 "[ . 1 . 2]" 1
605 1 12 ILE MG 1 37 ARG HA 4.000 . 4.750 4.729 4.517 4.780 0.030 10 0 "[ . 1 . 2]" 1
606 1 12 ILE MD 1 37 ARG H 5.000 . 6.000 3.017 2.797 3.747 . 0 0 "[ . 1 . 2]" 1
607 1 12 ILE MD 1 37 ARG HA 4.000 . 4.750 2.858 2.229 4.293 . 0 0 "[ . 1 . 2]" 1
608 1 12 ILE MD 1 37 ARG QB 4.000 . 4.750 3.278 2.794 4.645 . 0 0 "[ . 1 . 2]" 1
609 1 12 ILE MD 1 37 ARG QG 4.000 . 4.750 3.922 3.140 4.762 0.012 17 0 "[ . 1 . 2]" 1
610 1 12 ILE QG 1 37 ARG HA 4.000 . 4.750 4.311 3.228 4.699 . 0 0 "[ . 1 . 2]" 1
611 1 12 ILE HA 1 40 VAL MG2 5.000 . 6.000 3.630 3.430 3.988 . 0 0 "[ . 1 . 2]" 1
612 1 12 ILE MD 1 40 VAL H 5.000 . 6.000 4.191 3.723 5.763 . 0 0 "[ . 1 . 2]" 1
613 1 12 ILE QG 1 40 VAL MG1 4.000 . 4.750 4.568 3.821 4.765 0.015 5 0 "[ . 1 . 2]" 1
614 1 12 ILE QG 1 40 VAL MG2 5.000 . 6.000 3.217 2.427 3.531 . 0 0 "[ . 1 . 2]" 1
615 1 15 LEU MD1 1 37 ARG HA 5.000 . 6.000 3.985 3.590 4.997 . 0 0 "[ . 1 . 2]" 1
616 1 15 LEU MD1 1 37 ARG QD 5.000 . 6.000 3.589 1.914 5.043 . 0 0 "[ . 1 . 2]" 1
617 1 15 LEU MD2 1 37 ARG HA 4.000 . 4.750 4.563 4.107 4.758 0.008 18 0 "[ . 1 . 2]" 1
618 1 15 LEU HB3 1 40 VAL MG1 3.000 . 3.500 3.465 3.310 3.511 0.011 20 0 "[ . 1 . 2]" 1
619 1 15 LEU HB2 1 40 VAL MG1 4.000 . 4.750 4.299 4.151 4.363 . 0 0 "[ . 1 . 2]" 1
620 1 15 LEU HB2 1 40 VAL MG2 5.000 . 6.000 4.388 4.140 4.742 . 0 0 "[ . 1 . 2]" 1
621 1 15 LEU MD2 1 40 VAL HB 4.000 . 4.750 3.613 3.154 3.833 . 0 0 "[ . 1 . 2]" 1
622 1 15 LEU MD2 1 41 GLU QB 5.000 . 6.000 5.106 4.717 5.858 . 0 0 "[ . 1 . 2]" 1
623 1 15 LEU MD1 1 44 LEU MD1 5.000 . 6.000 4.627 4.305 5.211 . 0 0 "[ . 1 . 2]" 1
624 1 16 LEU HA 1 21 LEU HB3 4.000 . 4.750 4.177 3.851 4.668 . 0 0 "[ . 1 . 2]" 1
625 1 16 LEU HA 1 21 LEU MD1 5.000 . 6.000 3.869 3.248 4.176 . 0 0 "[ . 1 . 2]" 1
626 1 16 LEU HA 1 21 LEU MD2 5.000 . 6.000 5.086 4.732 5.191 . 0 0 "[ . 1 . 2]" 1
627 1 16 LEU MD1 1 21 LEU HB3 5.000 . 6.000 4.617 4.139 5.281 . 0 0 "[ . 1 . 2]" 1
628 1 16 LEU MD2 1 21 LEU H 5.000 . 6.000 2.429 2.298 2.852 . 0 0 "[ . 1 . 2]" 1
629 1 16 LEU MD2 1 21 LEU HB3 5.000 . 6.000 2.517 2.135 3.153 . 0 0 "[ . 1 . 2]" 1
630 1 16 LEU MD2 1 21 LEU HG 5.000 . 6.000 3.744 3.310 3.853 . 0 0 "[ . 1 . 2]" 1
631 1 16 LEU MD2 1 21 LEU MD2 5.000 . 6.000 3.900 3.687 4.121 . 0 0 "[ . 1 . 2]" 1
632 1 16 LEU MD1 1 23 ALA H 5.000 . 6.000 2.630 2.352 3.002 . 0 0 "[ . 1 . 2]" 1
633 1 16 LEU MD1 1 23 ALA HA 3.000 . 3.500 3.512 3.501 3.520 0.020 18 0 "[ . 1 . 2]" 1
634 1 16 LEU MD2 1 23 ALA H 5.000 . 6.000 3.055 2.884 3.248 . 0 0 "[ . 1 . 2]" 1
635 1 16 LEU MD2 1 23 ALA HA 4.000 . 4.750 3.425 3.311 3.545 . 0 0 "[ . 1 . 2]" 1
636 1 16 LEU MD2 1 23 ALA MB 5.000 . 6.000 3.206 2.968 3.411 . 0 0 "[ . 1 . 2]" 1
637 1 16 LEU MD1 1 24 SER H 5.000 . 6.000 4.731 4.464 5.116 . 0 0 "[ . 1 . 2]" 1
638 1 16 LEU MD1 1 26 ILE MD 5.000 . 6.000 3.854 3.581 4.262 . 0 0 "[ . 1 . 2]" 1
639 1 16 LEU MD2 1 26 ILE MD 5.000 . 6.000 2.675 2.493 2.953 . 0 0 "[ . 1 . 2]" 1
640 1 16 LEU MD2 1 35 LEU MD1 5.000 . 6.000 4.150 3.624 4.754 . 0 0 "[ . 1 . 2]" 1
641 1 16 LEU HA 1 40 VAL MG1 5.000 . 6.000 4.600 4.402 4.742 . 0 0 "[ . 1 . 2]" 1
642 1 16 LEU HG 1 40 VAL MG1 4.000 . 4.750 4.310 3.971 4.543 . 0 0 "[ . 1 . 2]" 1
643 1 16 LEU HG 1 40 VAL MG2 5.000 . 6.000 5.098 4.764 5.372 . 0 0 "[ . 1 . 2]" 1
644 1 16 LEU MD2 1 40 VAL MG1 4.000 . 4.750 3.110 2.827 3.383 . 0 0 "[ . 1 . 2]" 1
645 1 16 LEU MD2 1 40 VAL MG2 4.000 . 4.750 4.475 4.201 4.716 . 0 0 "[ . 1 . 2]" 1
646 1 19 TRP HD1 1 40 VAL MG1 5.000 . 6.000 5.980 5.848 6.026 0.026 2 0 "[ . 1 . 2]" 1
647 1 19 TRP HE3 1 40 VAL MG1 5.000 . 6.000 5.147 5.093 5.201 . 0 0 "[ . 1 . 2]" 1
648 1 19 TRP HZ3 1 40 VAL MG1 5.000 . 6.000 6.014 6.003 6.025 0.025 2 0 "[ . 1 . 2]" 1
649 1 19 TRP HZ3 1 41 GLU HA 5.000 . 6.000 5.290 4.913 5.708 . 0 0 "[ . 1 . 2]" 1
650 1 19 TRP HB3 1 44 LEU MD1 5.000 . 6.000 4.083 3.851 4.444 . 0 0 "[ . 1 . 2]" 1
651 1 19 TRP HB3 1 44 LEU MD2 4.000 . 4.750 2.898 2.739 3.077 . 0 0 "[ . 1 . 2]" 1
652 1 19 TRP HB2 1 44 LEU MD1 5.000 . 6.000 4.625 4.319 5.077 . 0 0 "[ . 1 . 2]" 1
653 1 19 TRP HB2 1 44 LEU MD2 5.000 . 6.000 3.856 3.620 4.087 . 0 0 "[ . 1 . 2]" 1
654 1 19 TRP HD1 1 44 LEU MD1 5.000 . 6.000 5.365 5.054 5.653 . 0 0 "[ . 1 . 2]" 1
655 1 19 TRP HD1 1 44 LEU MD2 5.000 . 6.000 5.506 5.337 5.699 . 0 0 "[ . 1 . 2]" 1
656 1 19 TRP HE1 1 44 LEU MD1 5.000 . 6.000 4.893 4.643 5.160 . 0 0 "[ . 1 . 2]" 1
657 1 19 TRP HE3 1 44 LEU MD1 5.000 . 6.000 2.742 2.581 3.024 . 0 0 "[ . 1 . 2]" 1
658 1 19 TRP HE3 1 44 LEU MD2 5.000 . 6.000 1.844 1.804 1.910 . 0 0 "[ . 1 . 2]" 1
659 1 19 TRP HZ3 1 44 LEU MD2 5.000 . 6.000 2.439 2.222 2.721 . 0 0 "[ . 1 . 2]" 1
660 1 21 LEU HB3 1 26 ILE MD 5.000 . 6.000 2.132 1.933 2.469 . 0 0 "[ . 1 . 2]" 1
661 1 21 LEU HB2 1 26 ILE MG 5.000 . 6.000 5.971 5.576 6.022 0.022 18 0 "[ . 1 . 2]" 1
662 1 21 LEU HB2 1 26 ILE MD 5.000 . 6.000 3.299 2.803 3.574 . 0 0 "[ . 1 . 2]" 1
663 1 21 LEU MD1 1 26 ILE MD 5.000 . 6.000 2.509 2.063 3.092 . 0 0 "[ . 1 . 2]" 1
664 1 21 LEU MD2 1 26 ILE MD 5.000 . 6.000 2.900 2.117 3.742 . 0 0 "[ . 1 . 2]" 1
665 1 21 LEU MD1 1 40 VAL H 5.000 . 6.000 5.928 5.772 6.021 0.021 13 0 "[ . 1 . 2]" 1
666 1 21 LEU MD1 1 40 VAL HA 5.000 . 6.000 3.961 3.749 4.288 . 0 0 "[ . 1 . 2]" 1
667 1 21 LEU MD2 1 40 VAL HA 5.000 . 6.000 5.747 5.333 6.011 0.011 13 0 "[ . 1 . 2]" 1
668 1 21 LEU HB3 1 43 HIS HD2 5.000 . 6.000 4.731 3.891 5.018 . 0 0 "[ . 1 . 2]" 1
669 1 21 LEU HB2 1 43 HIS HD2 5.000 . 6.000 5.878 5.243 6.007 0.007 3 0 "[ . 1 . 2]" 1
670 1 21 LEU MD1 1 43 HIS HB3 5.000 . 6.000 4.001 3.728 4.501 . 0 0 "[ . 1 . 2]" 1
671 1 21 LEU MD1 1 43 HIS HD2 4.000 . 4.750 2.862 2.562 3.553 . 0 0 "[ . 1 . 2]" 1
672 1 21 LEU MD1 1 43 HIS HE1 5.000 . 6.000 6.007 6.002 6.015 0.015 13 0 "[ . 1 . 2]" 1
673 1 21 LEU MD2 1 43 HIS HB3 5.000 . 6.000 5.006 4.541 5.504 . 0 0 "[ . 1 . 2]" 1
674 1 21 LEU MD2 1 43 HIS HD2 4.000 . 4.750 2.862 2.373 3.469 . 0 0 "[ . 1 . 2]" 1
675 1 21 LEU MD2 1 43 HIS HE1 5.000 . 6.000 5.140 4.711 5.547 . 0 0 "[ . 1 . 2]" 1
676 1 21 LEU HG 1 44 LEU MD2 5.000 . 6.000 3.238 2.778 3.652 . 0 0 "[ . 1 . 2]" 1
677 1 21 LEU MD1 1 44 LEU H 5.000 . 6.000 4.380 4.136 4.838 . 0 0 "[ . 1 . 2]" 1
678 1 21 LEU MD1 1 44 LEU MD1 5.000 . 6.000 3.118 2.769 3.355 . 0 0 "[ . 1 . 2]" 1
679 1 21 LEU MD1 1 44 LEU MD2 5.000 . 6.000 1.791 1.777 1.805 0.023 19 0 "[ . 1 . 2]" 1
680 1 21 LEU MD2 1 44 LEU HB2 5.000 . 6.000 5.983 5.731 6.014 0.014 12 0 "[ . 1 . 2]" 1
681 1 21 LEU MD2 1 44 LEU HG 5.000 . 6.000 4.409 4.107 4.643 . 0 0 "[ . 1 . 2]" 1
682 1 21 LEU MD2 1 44 LEU MD1 5.000 . 6.000 4.796 4.093 5.022 . 0 0 "[ . 1 . 2]" 1
683 1 21 LEU MD2 1 44 LEU MD2 5.000 . 6.000 2.667 2.154 2.903 . 0 0 "[ . 1 . 2]" 1
684 1 23 ALA HA 1 35 LEU MD1 4.000 . 4.750 3.965 2.839 4.762 0.012 14 0 "[ . 1 . 2]" 1
685 1 23 ALA HA 1 35 LEU MD2 3.000 . 3.500 3.030 2.255 3.465 . 0 0 "[ . 1 . 2]" 1
686 1 23 ALA MB 1 35 LEU MD2 4.000 . 4.750 2.726 2.122 3.325 . 0 0 "[ . 1 . 2]" 1
687 1 23 ALA MB 1 40 VAL MG2 5.000 . 6.000 5.754 5.367 6.018 0.018 18 0 "[ . 1 . 2]" 1
688 1 26 ILE H 1 35 LEU MD1 5.000 . 6.000 5.113 4.408 5.723 . 0 0 "[ . 1 . 2]" 1
689 1 26 ILE H 1 35 LEU MD2 5.000 . 6.000 4.993 4.167 5.393 . 0 0 "[ . 1 . 2]" 1
690 1 26 ILE HB 1 35 LEU MD1 4.000 . 4.750 2.763 2.041 3.503 . 0 0 "[ . 1 . 2]" 1
691 1 26 ILE HB 1 35 LEU MD2 3.000 . 3.500 3.037 2.147 3.520 0.020 10 0 "[ . 1 . 2]" 1
692 1 26 ILE MG 1 35 LEU MD1 5.000 . 6.000 1.805 1.785 1.866 0.015 18 0 "[ . 1 . 2]" 1
693 1 26 ILE MG 1 35 LEU MD2 4.000 . 4.750 3.121 2.052 3.748 . 0 0 "[ . 1 . 2]" 1
694 1 26 ILE MG 1 39 ASP HA 5.000 . 6.000 4.815 4.158 5.451 . 0 0 "[ . 1 . 2]" 1
695 1 26 ILE MG 1 39 ASP HB3 4.000 . 4.750 3.356 2.617 3.981 . 0 0 "[ . 1 . 2]" 1
696 1 26 ILE MG 1 39 ASP HB2 5.000 . 6.000 4.212 3.692 4.746 . 0 0 "[ . 1 . 2]" 1
697 1 26 ILE MG 1 40 VAL H 5.000 . 6.000 4.587 4.244 5.142 . 0 0 "[ . 1 . 2]" 1
698 1 26 ILE MG 1 40 VAL HA 5.000 . 6.000 2.912 2.553 3.431 . 0 0 "[ . 1 . 2]" 1
699 1 26 ILE MG 1 40 VAL MG2 5.000 . 6.000 3.947 3.636 4.210 . 0 0 "[ . 1 . 2]" 1
700 1 26 ILE MD 1 40 VAL HA 4.000 . 4.750 3.704 2.972 4.232 . 0 0 "[ . 1 . 2]" 1
701 1 26 ILE MD 1 40 VAL MG1 5.000 . 6.000 2.634 2.314 3.081 . 0 0 "[ . 1 . 2]" 1
702 1 26 ILE MD 1 40 VAL MG2 5.000 . 6.000 4.220 3.732 4.654 . 0 0 "[ . 1 . 2]" 1
703 1 26 ILE HA 1 43 HIS HE1 4.000 . 4.750 3.294 2.823 4.052 . 0 0 "[ . 1 . 2]" 1
704 1 26 ILE HG13 1 43 HIS HE1 4.000 . 4.750 3.747 3.456 4.153 . 0 0 "[ . 1 . 2]" 1
705 1 26 ILE HG12 1 43 HIS HB2 5.000 . 6.000 3.943 3.195 4.630 . 0 0 "[ . 1 . 2]" 1
706 1 26 ILE HG12 1 43 HIS HD2 5.000 . 6.000 3.383 2.904 4.167 . 0 0 "[ . 1 . 2]" 1
707 1 26 ILE HG12 1 43 HIS HE1 5.000 . 6.000 3.149 2.762 3.537 . 0 0 "[ . 1 . 2]" 1
708 1 26 ILE MG 1 43 HIS H 5.000 . 6.000 4.234 3.906 4.756 . 0 0 "[ . 1 . 2]" 1
709 1 26 ILE MG 1 43 HIS HB3 5.000 . 6.000 2.803 2.499 3.166 . 0 0 "[ . 1 . 2]" 1
710 1 26 ILE MG 1 43 HIS HB2 4.000 . 4.750 2.410 2.123 2.862 . 0 0 "[ . 1 . 2]" 1
711 1 26 ILE MG 1 43 HIS HD2 5.000 . 6.000 3.992 3.521 4.663 . 0 0 "[ . 1 . 2]" 1
712 1 26 ILE MG 1 43 HIS HE1 5.000 . 6.000 3.909 3.496 4.373 . 0 0 "[ . 1 . 2]" 1
713 1 26 ILE MD 1 43 HIS H 5.000 . 6.000 5.772 5.201 6.006 0.006 18 0 "[ . 1 . 2]" 1
714 1 26 ILE MD 1 43 HIS HB3 5.000 . 6.000 3.795 3.305 4.144 . 0 0 "[ . 1 . 2]" 1
715 1 26 ILE MD 1 43 HIS HB2 5.000 . 6.000 4.455 3.827 4.772 . 0 0 "[ . 1 . 2]" 1
716 1 26 ILE MD 1 43 HIS HD2 4.000 . 4.750 3.490 2.908 4.221 . 0 0 "[ . 1 . 2]" 1
717 1 26 ILE MD 1 43 HIS HE1 5.000 . 6.000 4.519 4.112 4.859 . 0 0 "[ . 1 . 2]" 1
718 1 28 GLY H 1 35 LEU HA 5.000 . 6.000 4.936 4.388 5.598 . 0 0 "[ . 1 . 2]" 1
719 1 28 GLY H 1 35 LEU MD1 5.000 . 6.000 5.355 4.634 5.867 . 0 0 "[ . 1 . 2]" 1
720 1 28 GLY H 1 35 LEU MD2 5.000 . 6.000 5.492 4.727 6.009 0.009 20 0 "[ . 1 . 2]" 1
721 1 28 GLY QA 1 35 LEU H 4.000 . 4.750 3.721 3.147 4.411 . 0 0 "[ . 1 . 2]" 1
722 1 28 GLY QA 1 35 LEU HA 3.000 . 3.500 2.316 1.968 2.724 . 0 0 "[ . 1 . 2]" 1
723 1 28 GLY QA 1 35 LEU MD1 4.000 . 4.750 3.844 3.388 4.543 . 0 0 "[ . 1 . 2]" 1
724 1 28 GLY QA 1 35 LEU MD2 4.000 . 4.750 4.120 3.608 4.748 . 0 0 "[ . 1 . 2]" 1
725 1 28 GLY QA 1 36 THR H 4.000 . 4.750 3.913 3.416 4.446 . 0 0 "[ . 1 . 2]" 1
726 1 28 GLY QA 1 36 THR MG 5.000 . 6.000 4.649 4.095 5.292 . 0 0 "[ . 1 . 2]" 1
727 1 29 THR H 1 36 THR MG 5.000 . 6.000 4.517 3.426 6.008 0.008 18 0 "[ . 1 . 2]" 1
728 1 30 GLY H 1 36 THR MG 4.000 . 4.750 4.247 3.291 4.754 0.004 20 0 "[ . 1 . 2]" 1
729 1 30 GLY QA 1 36 THR MG 3.000 . 3.500 2.929 2.484 3.473 . 0 0 "[ . 1 . 2]" 1
730 1 31 VAL H 1 36 THR MG 5.000 . 6.000 5.138 3.898 5.870 . 0 0 "[ . 1 . 2]" 1
731 1 35 LEU HG 1 40 VAL MG1 3.000 . 3.500 3.576 3.560 3.596 0.096 9 0 "[ . 1 . 2]" 1
732 1 35 LEU HG 1 40 VAL MG2 4.000 . 4.750 2.272 2.073 2.469 . 0 0 "[ . 1 . 2]" 1
733 1 35 LEU MD1 1 40 VAL HA 5.000 . 6.000 2.412 2.136 2.895 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU MD2 1 40 VAL MG2 4.000 . 4.750 3.146 2.840 3.548 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU QB 1 40 VAL MG2 5.000 . 6.000 3.682 3.413 4.069 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 186
_Distance_constraint_stats_list.Viol_total 128.375
_Distance_constraint_stats_list.Viol_max 0.096
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0345
_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 7 ALA 0.723 0.050 12 0 "[ . 1 . 2]"
1 9 SER 0.007 0.007 17 0 "[ . 1 . 2]"
1 11 ALA 0.005 0.005 20 0 "[ . 1 . 2]"
1 12 ILE 1.778 0.078 17 0 "[ . 1 . 2]"
1 13 ARG 1.301 0.081 17 0 "[ . 1 . 2]"
1 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.005 0.005 20 0 "[ . 1 . 2]"
1 16 LEU 2.268 0.078 17 0 "[ . 1 . 2]"
1 17 ALA 1.294 0.081 17 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.490 0.037 1 0 "[ . 1 . 2]"
1 23 ALA 0.076 0.015 17 0 "[ . 1 . 2]"
1 26 ILE 0.076 0.015 17 0 "[ . 1 . 2]"
1 35 LEU 0.723 0.050 12 0 "[ . 1 . 2]"
1 36 THR 0.794 0.096 18 0 "[ . 1 . 2]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.731 0.046 12 0 "[ . 1 . 2]"
1 39 ASP 1.314 0.096 18 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 LYS 0.731 0.046 12 0 "[ . 1 . 2]"
1 43 HIS 0.520 0.034 5 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 9 SER O 1 13 ARG H 1.950 . 2.100 1.910 1.813 2.035 . 0 0 "[ . 1 . 2]" 2
2 1 9 SER O 1 13 ARG N 2.900 2.700 3.100 2.793 2.693 2.892 0.007 17 0 "[ . 1 . 2]" 2
3 1 11 ALA O 1 15 LEU H 1.950 . 2.100 1.972 1.890 2.105 0.005 20 0 "[ . 1 . 2]" 2
4 1 11 ALA O 1 15 LEU N 2.900 2.700 3.100 2.919 2.841 3.029 . 0 0 "[ . 1 . 2]" 2
5 1 12 ILE O 1 16 LEU H 1.950 . 2.100 1.766 1.725 1.780 0.075 20 0 "[ . 1 . 2]" 2
6 1 12 ILE O 1 16 LEU N 2.900 2.700 3.100 2.645 2.622 2.660 0.078 17 0 "[ . 1 . 2]" 2
7 1 13 ARG O 1 17 ALA H 1.950 . 2.100 2.164 2.150 2.181 0.081 17 0 "[ . 1 . 2]" 2
8 1 13 ARG O 1 17 ALA N 2.900 2.700 3.100 3.078 3.035 3.104 0.004 17 0 "[ . 1 . 2]" 2
9 1 14 ARG O 1 18 GLU H 1.950 . 2.100 1.866 1.801 2.015 . 0 0 "[ . 1 . 2]" 2
10 1 14 ARG O 1 18 GLU N 2.900 2.700 3.100 2.832 2.769 2.979 . 0 0 "[ . 1 . 2]" 2
11 1 16 LEU O 1 21 LEU H 1.950 . 2.100 2.125 2.114 2.137 0.037 1 0 "[ . 1 . 2]" 2
12 1 16 LEU O 1 21 LEU N 2.900 2.700 3.100 2.964 2.936 3.026 . 0 0 "[ . 1 . 2]" 2
13 1 23 ALA O 1 26 ILE H 1.950 . 2.100 2.068 1.921 2.115 0.015 17 0 "[ . 1 . 2]" 2
14 1 23 ALA O 1 26 ILE N 2.900 2.700 3.100 2.905 2.797 3.005 . 0 0 "[ . 1 . 2]" 2
15 1 7 ALA O 1 35 LEU H 1.950 . 2.100 2.136 2.121 2.150 0.050 12 0 "[ . 1 . 2]" 2
16 1 7 ALA O 1 35 LEU N 2.900 2.700 3.100 3.008 2.955 3.054 . 0 0 "[ . 1 . 2]" 2
17 1 36 THR H 1 39 ASP OD2 1.950 . 2.100 1.973 1.801 2.113 0.013 20 0 "[ . 1 . 2]" 2
18 1 36 THR N 1 39 ASP OD2 2.900 2.700 3.100 2.939 2.753 3.086 . 0 0 "[ . 1 . 2]" 2
19 1 36 THR O 1 39 ASP H 1.950 . 2.100 2.137 2.115 2.196 0.096 18 0 "[ . 1 . 2]" 2
20 1 36 THR O 1 39 ASP N 2.900 2.700 3.100 2.787 2.762 2.824 . 0 0 "[ . 1 . 2]" 2
21 1 36 THR O 1 40 VAL H 1.950 . 2.100 1.948 1.856 2.043 . 0 0 "[ . 1 . 2]" 2
22 1 36 THR O 1 40 VAL N 2.900 2.700 3.100 2.858 2.777 2.978 . 0 0 "[ . 1 . 2]" 2
23 1 37 ARG O 1 41 GLU H 1.950 . 2.100 1.956 1.896 2.028 . 0 0 "[ . 1 . 2]" 2
24 1 37 ARG O 1 41 GLU N 2.900 2.700 3.100 2.887 2.802 2.981 . 0 0 "[ . 1 . 2]" 2
25 1 38 GLU O 1 42 LYS H 1.950 . 2.100 2.137 2.127 2.146 0.046 12 0 "[ . 1 . 2]" 2
26 1 38 GLU O 1 42 LYS N 2.900 2.700 3.100 3.040 3.009 3.087 . 0 0 "[ . 1 . 2]" 2
27 1 39 ASP O 1 43 HIS H 1.950 . 2.100 2.126 2.118 2.134 0.034 5 0 "[ . 1 . 2]" 2
28 1 39 ASP O 1 43 HIS N 2.900 2.700 3.100 2.990 2.964 3.015 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Thursday, July 4, 2024 9:15:14 PM GMT (wattos1)