Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575346 | 2m7e RC | 19184 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7e
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 341
_Distance_constraint_stats_list.Viol_count 558
_Distance_constraint_stats_list.Viol_total 399.131
_Distance_constraint_stats_list.Viol_max 0.312
_Distance_constraint_stats_list.Viol_rms 0.0163
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0358
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 0.357 0.066 18 0 "[ . 1 . 2]"
1 2 LEU 2.333 0.171 4 0 "[ . 1 . 2]"
1 3 GLU 0.961 0.106 4 0 "[ . 1 . 2]"
1 4 LYS 0.633 0.062 19 0 "[ . 1 . 2]"
1 5 TRP 5.004 0.171 4 0 "[ . 1 . 2]"
1 6 ARG 0.183 0.044 18 0 "[ . 1 . 2]"
1 7 ASN 0.808 0.062 19 0 "[ . 1 . 2]"
1 8 LEU 0.423 0.040 4 0 "[ . 1 . 2]"
1 9 CYS 0.804 0.071 5 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 0.800 0.071 6 0 "[ . 1 . 2]"
1 12 VAL 1.038 0.074 6 0 "[ . 1 . 2]"
1 13 LYS 0.405 0.206 16 0 "[ . 1 . 2]"
1 14 ASN 2.646 0.125 18 0 "[ . 1 . 2]"
1 15 PRO 1.158 0.094 19 0 "[ . 1 . 2]"
1 16 LYS 1.785 0.154 13 0 "[ . 1 . 2]"
1 17 ARG 0.735 0.154 13 0 "[ . 1 . 2]"
1 18 ARG 2.703 0.110 13 0 "[ . 1 . 2]"
1 19 PHE 0.379 0.113 19 0 "[ . 1 . 2]"
1 20 ARG 2.167 0.157 7 0 "[ . 1 . 2]"
1 21 PHE 5.987 0.312 17 0 "[ . 1 . 2]"
1 22 THR 2.182 0.151 13 0 "[ . 1 . 2]"
1 23 ALA 3.413 0.312 17 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HB . . 3.720 2.864 2.380 3.721 0.001 3 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 1 VAL MG1 . . 4.550 2.698 2.059 3.824 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL H1 1 1 VAL QG . . 3.680 2.212 1.954 2.719 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL H1 1 1 VAL MG2 . . 4.550 2.990 1.978 3.821 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 5 TRP H . . 5.500 5.187 4.864 5.555 0.055 15 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 5 TRP HD1 . . 5.500 5.461 5.227 5.566 0.066 18 0 "[ . 1 . 2]" 1
7 1 1 VAL QG 1 2 LEU H . . 4.330 2.917 2.175 3.733 . 0 0 "[ . 1 . 2]" 1
8 1 1 VAL QG 1 4 LYS QB . . 4.440 2.837 1.930 3.390 . 0 0 "[ . 1 . 2]" 1
9 1 1 VAL QG 1 5 TRP H . . 5.190 4.144 3.233 4.717 . 0 0 "[ . 1 . 2]" 1
10 1 1 VAL QG 1 5 TRP HD1 . . 5.190 3.374 2.879 3.888 . 0 0 "[ . 1 . 2]" 1
11 1 1 VAL QG 1 5 TRP HE1 . . 5.220 1.932 1.792 2.453 . 0 0 "[ . 1 . 2]" 1
12 1 1 VAL QG 1 5 TRP HE3 . . 5.400 5.033 4.384 5.400 . 0 0 "[ . 1 . 2]" 1
13 1 1 VAL QG 1 5 TRP HZ2 . . 5.440 2.462 2.037 2.735 . 0 0 "[ . 1 . 2]" 1
14 1 1 VAL QG 1 5 TRP HZ3 . . 5.390 5.061 4.331 5.427 0.037 18 0 "[ . 1 . 2]" 1
15 1 2 LEU H 1 2 LEU HB2 . . 2.810 2.318 2.093 2.869 0.059 15 0 "[ . 1 . 2]" 1
16 1 2 LEU H 1 3 GLU H . . 3.180 2.552 1.898 2.886 . 0 0 "[ . 1 . 2]" 1
17 1 2 LEU H 1 3 GLU QG . . 5.340 4.976 4.277 5.341 0.001 14 0 "[ . 1 . 2]" 1
18 1 2 LEU H 1 5 TRP HD1 . . 4.540 4.337 3.958 4.547 0.007 1 0 "[ . 1 . 2]" 1
19 1 2 LEU HA 1 2 LEU MD1 . . 3.910 2.618 2.217 3.628 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HA 1 2 LEU QD . . 3.370 2.060 1.908 2.856 . 0 0 "[ . 1 . 2]" 1
21 1 2 LEU HA 1 2 LEU MD2 . . 3.910 2.180 1.951 2.989 . 0 0 "[ . 1 . 2]" 1
22 1 2 LEU HA 1 5 TRP H . . 4.080 3.204 2.879 3.439 . 0 0 "[ . 1 . 2]" 1
23 1 2 LEU HA 1 5 TRP HB2 . . 3.860 3.067 2.793 3.281 . 0 0 "[ . 1 . 2]" 1
24 1 2 LEU HA 1 5 TRP HD1 . . 4.520 1.965 1.933 1.988 . 0 0 "[ . 1 . 2]" 1
25 1 2 LEU HA 1 6 ARG H . . 4.690 4.279 3.927 4.709 0.019 4 0 "[ . 1 . 2]" 1
26 1 2 LEU HB2 1 5 TRP H . . 5.500 5.564 5.355 5.671 0.171 4 0 "[ . 1 . 2]" 1
27 1 2 LEU HB2 1 5 TRP HD1 . . 4.410 4.193 3.858 4.356 . 0 0 "[ . 1 . 2]" 1
28 1 2 LEU HB2 1 5 TRP HE1 . . 5.500 5.530 5.514 5.566 0.066 13 0 "[ . 1 . 2]" 1
29 1 2 LEU HB3 1 3 GLU H . . 3.520 2.576 2.211 3.073 . 0 0 "[ . 1 . 2]" 1
30 1 2 LEU HB3 1 5 TRP H . . 5.500 5.130 4.979 5.233 . 0 0 "[ . 1 . 2]" 1
31 1 2 LEU HB3 1 5 TRP HB2 . . 5.500 5.337 4.871 5.504 0.004 4 0 "[ . 1 . 2]" 1
32 1 2 LEU QD 1 5 TRP HB3 . . 4.740 3.793 3.519 4.021 . 0 0 "[ . 1 . 2]" 1
33 1 2 LEU QD 1 5 TRP HD1 . . 4.430 2.346 2.097 3.500 . 0 0 "[ . 1 . 2]" 1
34 1 2 LEU QD 1 6 ARG H . . 4.810 3.174 2.874 3.453 . 0 0 "[ . 1 . 2]" 1
35 1 2 LEU MD1 1 5 TRP H . . 5.500 3.891 3.544 5.644 0.144 18 0 "[ . 1 . 2]" 1
36 1 2 LEU MD1 1 5 TRP HB2 . . 5.500 2.871 2.222 4.387 . 0 0 "[ . 1 . 2]" 1
37 1 2 LEU MD1 1 5 TRP HB3 . . 5.500 4.299 3.684 5.502 0.002 18 0 "[ . 1 . 2]" 1
38 1 2 LEU MD1 1 5 TRP HD1 . . 4.290 3.423 2.812 3.982 . 0 0 "[ . 1 . 2]" 1
39 1 2 LEU MD1 1 6 ARG H . . 5.500 3.352 2.976 5.498 . 0 0 "[ . 1 . 2]" 1
40 1 2 LEU MD2 1 5 TRP H . . 5.500 4.469 3.754 4.872 . 0 0 "[ . 1 . 2]" 1
41 1 2 LEU MD2 1 5 TRP HB2 . . 5.500 3.168 2.672 3.747 . 0 0 "[ . 1 . 2]" 1
42 1 2 LEU MD2 1 5 TRP HB3 . . 5.500 4.328 3.900 4.793 . 0 0 "[ . 1 . 2]" 1
43 1 2 LEU MD2 1 5 TRP HD1 . . 4.130 2.412 2.112 3.880 . 0 0 "[ . 1 . 2]" 1
44 1 2 LEU MD2 1 6 ARG H . . 5.500 4.739 2.883 5.369 . 0 0 "[ . 1 . 2]" 1
45 1 3 GLU H 1 3 GLU QB . . 3.020 2.191 2.042 2.312 . 0 0 "[ . 1 . 2]" 1
46 1 3 GLU H 1 3 GLU QG . . 3.990 3.028 2.586 3.447 . 0 0 "[ . 1 . 2]" 1
47 1 3 GLU HA 1 6 ARG H . . 4.080 3.420 3.208 3.638 . 0 0 "[ . 1 . 2]" 1
48 1 3 GLU HA 1 6 ARG HB2 . . 3.260 3.220 3.079 3.299 0.039 18 0 "[ . 1 . 2]" 1
49 1 3 GLU HA 1 6 ARG HB3 . . 3.410 3.250 3.007 3.438 0.028 18 0 "[ . 1 . 2]" 1
50 1 3 GLU HA 1 6 ARG QD . . 5.340 4.480 3.989 5.270 . 0 0 "[ . 1 . 2]" 1
51 1 3 GLU HA 1 6 ARG HE . . 5.240 4.364 3.356 5.230 . 0 0 "[ . 1 . 2]" 1
52 1 3 GLU HA 1 7 ASN HD21 . . 5.470 3.736 3.214 4.427 . 0 0 "[ . 1 . 2]" 1
53 1 3 GLU HA 1 7 ASN HD22 . . 5.500 4.621 4.230 5.312 . 0 0 "[ . 1 . 2]" 1
54 1 3 GLU QB 1 6 ARG H . . 5.340 4.919 4.738 5.090 . 0 0 "[ . 1 . 2]" 1
55 1 3 GLU QB 1 7 ASN HD21 . . 5.340 3.255 2.770 3.928 . 0 0 "[ . 1 . 2]" 1
56 1 3 GLU QB 1 7 ASN HD22 . . 5.340 3.895 3.160 4.922 . 0 0 "[ . 1 . 2]" 1
57 1 3 GLU HB2 1 5 TRP H . . 5.500 5.446 5.318 5.527 0.027 4 0 "[ . 1 . 2]" 1
58 1 3 GLU HB3 1 5 TRP H . . 5.500 5.518 5.297 5.606 0.106 4 0 "[ . 1 . 2]" 1
59 1 3 GLU HG2 1 7 ASN HD21 . . 5.500 4.159 3.421 5.179 . 0 0 "[ . 1 . 2]" 1
60 1 3 GLU HG2 1 7 ASN HD22 . . 5.500 4.718 3.381 5.503 0.003 13 0 "[ . 1 . 2]" 1
61 1 3 GLU HG3 1 7 ASN HD21 . . 5.500 4.504 3.104 5.345 . 0 0 "[ . 1 . 2]" 1
62 1 3 GLU HG3 1 7 ASN HD22 . . 5.500 5.060 4.098 5.510 0.010 4 0 "[ . 1 . 2]" 1
63 1 4 LYS H 1 4 LYS QB . . 3.230 2.264 2.076 2.509 . 0 0 "[ . 1 . 2]" 1
64 1 4 LYS H 1 4 LYS QG . . 4.290 3.174 2.216 4.066 . 0 0 "[ . 1 . 2]" 1
65 1 4 LYS H 1 5 TRP H . . 3.480 2.412 2.247 2.515 . 0 0 "[ . 1 . 2]" 1
66 1 4 LYS H 1 5 TRP HB2 . . 5.000 4.779 4.663 4.923 . 0 0 "[ . 1 . 2]" 1
67 1 4 LYS H 1 6 ARG H . . 4.220 3.854 3.643 4.143 . 0 0 "[ . 1 . 2]" 1
68 1 4 LYS HA 1 5 TRP HA . . 4.840 4.689 4.651 4.724 . 0 0 "[ . 1 . 2]" 1
69 1 4 LYS HA 1 7 ASN H . . 3.530 3.554 3.515 3.592 0.062 19 0 "[ . 1 . 2]" 1
70 1 4 LYS HA 1 7 ASN HB2 . . 3.910 2.882 2.783 2.979 . 0 0 "[ . 1 . 2]" 1
71 1 4 LYS HA 1 7 ASN HB3 . . 4.260 4.249 4.156 4.285 0.025 4 0 "[ . 1 . 2]" 1
72 1 4 LYS HA 1 7 ASN HD21 . . 5.500 3.733 3.501 4.255 . 0 0 "[ . 1 . 2]" 1
73 1 4 LYS HA 1 7 ASN HD22 . . 5.500 5.380 5.225 5.507 0.007 18 0 "[ . 1 . 2]" 1
74 1 4 LYS QB 1 5 TRP H . . 3.960 2.816 2.663 3.033 . 0 0 "[ . 1 . 2]" 1
75 1 4 LYS QB 1 8 LEU QD . . 5.280 3.178 2.617 3.799 . 0 0 "[ . 1 . 2]" 1
76 1 4 LYS HB2 1 5 TRP H . . 4.640 3.171 2.719 3.996 . 0 0 "[ . 1 . 2]" 1
77 1 4 LYS HB3 1 5 TRP H . . 4.640 3.459 2.732 3.865 . 0 0 "[ . 1 . 2]" 1
78 1 4 LYS QD 1 4 LYS QG . . 2.320 2.055 2.021 2.091 . 0 0 "[ . 1 . 2]" 1
79 1 4 LYS QD 1 7 ASN HD21 . . 5.340 4.912 4.423 5.288 . 0 0 "[ . 1 . 2]" 1
80 1 4 LYS QG 1 5 TRP H . . 4.750 4.305 3.949 4.675 . 0 0 "[ . 1 . 2]" 1
81 1 4 LYS HG2 1 5 TRP H . . 5.500 4.824 4.141 5.483 . 0 0 "[ . 1 . 2]" 1
82 1 4 LYS HG3 1 5 TRP H . . 5.500 4.942 4.252 5.427 . 0 0 "[ . 1 . 2]" 1
83 1 5 TRP H 1 5 TRP HB2 . . 3.360 2.590 2.453 2.646 . 0 0 "[ . 1 . 2]" 1
84 1 5 TRP H 1 5 TRP HB3 . . 3.770 3.626 3.609 3.651 . 0 0 "[ . 1 . 2]" 1
85 1 5 TRP H 1 5 TRP HD1 . . 4.550 3.554 3.482 3.635 . 0 0 "[ . 1 . 2]" 1
86 1 5 TRP H 1 5 TRP HE3 . . 4.910 4.096 3.924 4.360 . 0 0 "[ . 1 . 2]" 1
87 1 5 TRP H 1 6 ARG HA . . 5.500 5.036 4.946 5.125 . 0 0 "[ . 1 . 2]" 1
88 1 5 TRP H 1 7 ASN H . . 4.030 3.803 3.680 3.906 . 0 0 "[ . 1 . 2]" 1
89 1 5 TRP H 1 7 ASN HB2 . . 5.170 5.017 4.891 5.159 . 0 0 "[ . 1 . 2]" 1
90 1 5 TRP H 1 8 LEU H . . 4.770 4.618 4.472 4.738 . 0 0 "[ . 1 . 2]" 1
91 1 5 TRP H 1 8 LEU QD . . 5.440 4.386 4.094 4.629 . 0 0 "[ . 1 . 2]" 1
92 1 5 TRP HA 1 5 TRP HD1 . . 4.710 4.764 4.681 4.798 0.088 18 0 "[ . 1 . 2]" 1
93 1 5 TRP HA 1 5 TRP HE3 . . 3.460 1.968 1.931 1.995 . 0 0 "[ . 1 . 2]" 1
94 1 5 TRP HA 1 5 TRP HZ3 . . 5.150 4.331 4.255 4.362 . 0 0 "[ . 1 . 2]" 1
95 1 5 TRP HA 1 8 LEU H . . 3.460 3.351 3.177 3.448 . 0 0 "[ . 1 . 2]" 1
96 1 5 TRP HA 1 8 LEU HB2 . . 3.490 2.507 2.175 2.657 . 0 0 "[ . 1 . 2]" 1
97 1 5 TRP HA 1 8 LEU QD . . 4.020 2.791 2.383 3.053 . 0 0 "[ . 1 . 2]" 1
98 1 5 TRP HB2 1 5 TRP HD1 . . 3.650 2.561 2.558 2.566 . 0 0 "[ . 1 . 2]" 1
99 1 5 TRP HB2 1 5 TRP HE1 . . 5.200 4.755 4.753 4.756 . 0 0 "[ . 1 . 2]" 1
100 1 5 TRP HB2 1 6 ARG H . . 3.730 2.885 2.701 3.065 . 0 0 "[ . 1 . 2]" 1
101 1 5 TRP HB2 1 7 ASN H . . 5.220 4.949 4.830 5.029 . 0 0 "[ . 1 . 2]" 1
102 1 5 TRP HB2 1 8 LEU H . . 5.500 5.469 5.313 5.532 0.032 17 0 "[ . 1 . 2]" 1
103 1 5 TRP HB2 1 8 LEU HB2 . . 5.500 5.376 5.065 5.503 0.003 19 0 "[ . 1 . 2]" 1
104 1 5 TRP HB3 1 5 TRP HD1 . . 3.710 3.485 3.467 3.495 . 0 0 "[ . 1 . 2]" 1
105 1 5 TRP HB3 1 5 TRP HE3 . . 3.760 3.156 3.141 3.183 . 0 0 "[ . 1 . 2]" 1
106 1 5 TRP HB3 1 6 ARG H . . 4.140 3.982 3.723 4.132 . 0 0 "[ . 1 . 2]" 1
107 1 5 TRP HB3 1 6 ARG HB2 . . 5.500 5.394 5.194 5.544 0.044 18 0 "[ . 1 . 2]" 1
108 1 5 TRP HB3 1 7 ASN H . . 5.500 5.496 5.275 5.515 0.015 2 0 "[ . 1 . 2]" 1
109 1 5 TRP HB3 1 8 LEU H . . 5.500 5.305 5.094 5.382 . 0 0 "[ . 1 . 2]" 1
110 1 5 TRP HB3 1 8 LEU HB2 . . 4.870 4.620 4.327 4.789 . 0 0 "[ . 1 . 2]" 1
111 1 5 TRP HB3 1 8 LEU QD . . 5.440 4.492 4.256 4.911 . 0 0 "[ . 1 . 2]" 1
112 1 5 TRP HB3 1 9 CYS H . . 5.500 5.339 4.684 5.526 0.026 4 0 "[ . 1 . 2]" 1
113 1 5 TRP HD1 1 6 ARG H . . 5.500 4.906 4.815 5.045 . 0 0 "[ . 1 . 2]" 1
114 1 5 TRP HE3 1 6 ARG H . . 5.500 5.334 5.237 5.396 . 0 0 "[ . 1 . 2]" 1
115 1 5 TRP HE3 1 8 LEU H . . 5.290 4.826 4.595 4.921 . 0 0 "[ . 1 . 2]" 1
116 1 5 TRP HE3 1 8 LEU QD . . 4.020 2.157 1.956 2.803 . 0 0 "[ . 1 . 2]" 1
117 1 5 TRP HZ2 1 8 LEU QD . . 5.440 5.393 5.218 5.480 0.040 4 0 "[ . 1 . 2]" 1
118 1 5 TRP HZ3 1 8 LEU HB2 . . 5.410 4.831 4.483 5.044 . 0 0 "[ . 1 . 2]" 1
119 1 5 TRP HZ3 1 8 LEU HB3 . . 5.500 5.237 4.770 5.502 0.002 18 0 "[ . 1 . 2]" 1
120 1 5 TRP HZ3 1 8 LEU QD . . 4.410 2.412 2.232 2.959 . 0 0 "[ . 1 . 2]" 1
121 1 6 ARG H 1 6 ARG HB2 . . 3.470 2.265 2.162 2.375 . 0 0 "[ . 1 . 2]" 1
122 1 6 ARG H 1 6 ARG HB3 . . 3.690 2.921 2.819 3.068 . 0 0 "[ . 1 . 2]" 1
123 1 6 ARG H 1 6 ARG HE . . 5.500 4.995 4.239 5.408 . 0 0 "[ . 1 . 2]" 1
124 1 6 ARG H 1 6 ARG QG . . 4.240 3.887 3.723 4.076 . 0 0 "[ . 1 . 2]" 1
125 1 6 ARG H 1 7 ASN H . . 3.630 2.392 2.323 2.523 . 0 0 "[ . 1 . 2]" 1
126 1 6 ARG H 1 7 ASN HB2 . . 4.920 4.289 4.176 4.457 . 0 0 "[ . 1 . 2]" 1
127 1 6 ARG H 1 8 LEU H . . 4.240 3.842 3.783 3.909 . 0 0 "[ . 1 . 2]" 1
128 1 6 ARG H 1 8 LEU QD . . 5.440 5.103 4.757 5.404 . 0 0 "[ . 1 . 2]" 1
129 1 6 ARG HA 1 6 ARG HD2 . . 5.500 4.355 3.374 4.672 . 0 0 "[ . 1 . 2]" 1
130 1 6 ARG HA 1 6 ARG QD . . 4.720 3.759 2.413 4.105 . 0 0 "[ . 1 . 2]" 1
131 1 6 ARG HA 1 6 ARG HD3 . . 5.500 4.176 2.471 4.675 . 0 0 "[ . 1 . 2]" 1
132 1 6 ARG HA 1 6 ARG HE . . 5.250 4.769 3.992 5.172 . 0 0 "[ . 1 . 2]" 1
133 1 6 ARG HA 1 6 ARG HG2 . . 3.910 2.804 2.336 3.621 . 0 0 "[ . 1 . 2]" 1
134 1 6 ARG HA 1 6 ARG QG . . 3.330 2.268 2.131 2.386 . 0 0 "[ . 1 . 2]" 1
135 1 6 ARG HA 1 6 ARG HG3 . . 3.910 2.482 2.169 2.793 . 0 0 "[ . 1 . 2]" 1
136 1 6 ARG HA 1 8 LEU H . . 4.250 4.209 4.110 4.258 0.008 4 0 "[ . 1 . 2]" 1
137 1 6 ARG HB2 1 6 ARG QD . . 3.720 2.655 2.312 3.135 . 0 0 "[ . 1 . 2]" 1
138 1 6 ARG HB2 1 6 ARG HE . . 4.600 2.991 2.168 3.653 . 0 0 "[ . 1 . 2]" 1
139 1 6 ARG HB3 1 6 ARG HE . . 5.060 3.133 2.062 4.018 . 0 0 "[ . 1 . 2]" 1
140 1 6 ARG HB3 1 7 ASN H . . 3.430 3.158 3.027 3.242 . 0 0 "[ . 1 . 2]" 1
141 1 6 ARG HB3 1 7 ASN HD21 . . 5.500 4.087 2.934 4.765 . 0 0 "[ . 1 . 2]" 1
142 1 7 ASN H 1 7 ASN HB2 . . 3.310 2.227 2.194 2.268 . 0 0 "[ . 1 . 2]" 1
143 1 7 ASN H 1 7 ASN HB3 . . 3.610 3.479 3.412 3.516 . 0 0 "[ . 1 . 2]" 1
144 1 7 ASN H 1 7 ASN HD21 . . 4.560 3.366 2.710 3.841 . 0 0 "[ . 1 . 2]" 1
145 1 7 ASN H 1 8 LEU H . . 3.060 2.198 2.121 2.272 . 0 0 "[ . 1 . 2]" 1
146 1 7 ASN HA 1 10 GLY HA3 . . 4.460 4.050 3.328 4.460 . 0 0 "[ . 1 . 2]" 1
147 1 7 ASN HB2 1 8 LEU H . . 3.490 3.211 3.144 3.292 . 0 0 "[ . 1 . 2]" 1
148 1 7 ASN HD21 1 8 LEU H . . 5.430 5.082 4.679 5.366 . 0 0 "[ . 1 . 2]" 1
149 1 8 LEU H 1 8 LEU HB2 . . 2.840 2.131 2.045 2.241 . 0 0 "[ . 1 . 2]" 1
150 1 8 LEU H 1 8 LEU MD1 . . 5.170 3.444 2.468 4.112 . 0 0 "[ . 1 . 2]" 1
151 1 8 LEU H 1 8 LEU QD . . 4.360 3.194 2.443 3.574 . 0 0 "[ . 1 . 2]" 1
152 1 8 LEU H 1 8 LEU MD2 . . 5.170 3.998 3.016 4.409 . 0 0 "[ . 1 . 2]" 1
153 1 8 LEU HA 1 8 LEU QD . . 3.310 2.228 1.948 2.864 . 0 0 "[ . 1 . 2]" 1
154 1 8 LEU HA 1 11 VAL H . . 3.900 3.820 3.653 3.921 0.021 5 0 "[ . 1 . 2]" 1
155 1 8 LEU HA 1 11 VAL HB . . 3.820 3.611 3.252 3.822 0.002 13 0 "[ . 1 . 2]" 1
156 1 8 LEU HA 1 11 VAL MG2 . . 3.930 3.662 3.193 3.937 0.007 19 0 "[ . 1 . 2]" 1
157 1 8 LEU HB3 1 9 CYS HA . . 4.320 3.931 3.724 4.134 . 0 0 "[ . 1 . 2]" 1
158 1 8 LEU HB3 1 11 VAL H . . 5.350 4.979 4.801 5.216 . 0 0 "[ . 1 . 2]" 1
159 1 9 CYS H 1 9 CYS HB2 . . 3.670 2.413 2.345 2.481 . 0 0 "[ . 1 . 2]" 1
160 1 9 CYS H 1 9 CYS QB . . 2.980 2.377 2.315 2.438 . 0 0 "[ . 1 . 2]" 1
161 1 9 CYS H 1 9 CYS HB3 . . 3.670 3.579 3.565 3.588 . 0 0 "[ . 1 . 2]" 1
162 1 9 CYS H 1 10 GLY H . . 3.290 2.690 2.636 2.811 . 0 0 "[ . 1 . 2]" 1
163 1 9 CYS H 1 11 VAL H . . 4.400 4.236 4.143 4.282 . 0 0 "[ . 1 . 2]" 1
164 1 9 CYS H 1 12 VAL HB . . 5.500 5.111 4.593 5.523 0.023 7 0 "[ . 1 . 2]" 1
165 1 9 CYS H 1 12 VAL QG . . 4.210 4.030 3.527 4.213 0.003 6 0 "[ . 1 . 2]" 1
166 1 9 CYS HA 1 12 VAL H . . 3.100 3.113 2.981 3.171 0.071 5 0 "[ . 1 . 2]" 1
167 1 9 CYS HA 1 12 VAL HB . . 3.650 2.875 2.186 3.655 0.005 7 0 "[ . 1 . 2]" 1
168 1 9 CYS HA 1 12 VAL QG . . 3.790 2.437 1.883 3.316 . 0 0 "[ . 1 . 2]" 1
169 1 9 CYS HA 1 13 LYS H . . 3.920 3.725 2.887 3.955 0.035 20 0 "[ . 1 . 2]" 1
170 1 9 CYS HA 1 13 LYS QB . . 5.340 4.168 2.703 5.241 . 0 0 "[ . 1 . 2]" 1
171 1 9 CYS QB 1 10 GLY H . . 3.690 2.937 2.609 3.072 . 0 0 "[ . 1 . 2]" 1
172 1 9 CYS QB 1 11 VAL H . . 5.340 4.447 4.415 4.524 . 0 0 "[ . 1 . 2]" 1
173 1 9 CYS HB2 1 10 GLY H . . 4.300 3.044 2.677 3.193 . 0 0 "[ . 1 . 2]" 1
174 1 9 CYS HB2 1 10 GLY HA2 . . 4.530 4.477 4.337 4.530 . 0 0 "[ . 1 . 2]" 1
175 1 9 CYS HB3 1 10 GLY H . . 4.300 3.867 3.609 3.997 . 0 0 "[ . 1 . 2]" 1
176 1 9 CYS HB3 1 10 GLY HA2 . . 4.530 4.427 4.285 4.504 . 0 0 "[ . 1 . 2]" 1
177 1 10 GLY H 1 10 GLY HA3 . . 2.890 2.304 2.294 2.316 . 0 0 "[ . 1 . 2]" 1
178 1 10 GLY H 1 11 VAL H . . 3.640 2.634 2.598 2.762 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL H 1 11 VAL HB . . 3.310 2.608 2.369 2.659 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL H 1 11 VAL MG2 . . 3.230 2.861 2.748 3.030 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL H 1 12 VAL H . . 3.190 1.931 1.844 2.253 . 0 0 "[ . 1 . 2]" 1
182 1 11 VAL H 1 12 VAL HB . . 4.430 4.188 4.091 4.451 0.021 6 0 "[ . 1 . 2]" 1
183 1 11 VAL H 1 12 VAL QG . . 3.670 3.386 3.233 3.671 0.001 6 0 "[ . 1 . 2]" 1
184 1 11 VAL HA 1 11 VAL MG1 . . 3.670 2.375 2.321 2.473 . 0 0 "[ . 1 . 2]" 1
185 1 11 VAL HA 1 11 VAL MG2 . . 3.230 2.271 2.200 2.317 . 0 0 "[ . 1 . 2]" 1
186 1 11 VAL HA 1 14 ASN HB3 . . 4.300 2.749 2.513 3.138 . 0 0 "[ . 1 . 2]" 1
187 1 11 VAL HA 1 14 ASN HD21 . . 5.500 4.759 4.575 4.931 . 0 0 "[ . 1 . 2]" 1
188 1 11 VAL HA 1 18 ARG HB2 . . 5.500 4.235 3.501 4.716 . 0 0 "[ . 1 . 2]" 1
189 1 11 VAL HA 1 18 ARG HB3 . . 5.500 4.843 4.312 5.366 . 0 0 "[ . 1 . 2]" 1
190 1 11 VAL HA 1 18 ARG QD . . 4.460 3.182 2.656 4.121 . 0 0 "[ . 1 . 2]" 1
191 1 11 VAL HA 1 18 ARG HE . . 5.500 4.190 1.942 5.394 . 0 0 "[ . 1 . 2]" 1
192 1 11 VAL HB 1 12 VAL H . . 3.410 2.796 2.696 3.109 . 0 0 "[ . 1 . 2]" 1
193 1 11 VAL HB 1 12 VAL HA . . 4.440 4.342 4.221 4.473 0.033 6 0 "[ . 1 . 2]" 1
194 1 11 VAL MG1 1 14 ASN HB2 . . 5.220 4.688 3.985 5.218 . 0 0 "[ . 1 . 2]" 1
195 1 11 VAL MG1 1 14 ASN HD21 . . 5.500 5.352 4.877 5.535 0.035 15 0 "[ . 1 . 2]" 1
196 1 11 VAL MG1 1 18 ARG HB2 . . 5.500 3.607 2.476 4.109 . 0 0 "[ . 1 . 2]" 1
197 1 11 VAL MG1 1 18 ARG QB . . 4.690 3.070 2.014 3.461 . 0 0 "[ . 1 . 2]" 1
198 1 11 VAL MG1 1 18 ARG HB3 . . 5.500 3.407 2.133 3.971 . 0 0 "[ . 1 . 2]" 1
199 1 11 VAL MG1 1 18 ARG QD . . 4.360 2.143 1.845 3.501 . 0 0 "[ . 1 . 2]" 1
200 1 11 VAL MG1 1 18 ARG HE . . 4.140 2.052 1.842 2.494 . 0 0 "[ . 1 . 2]" 1
201 1 11 VAL MG1 1 21 PHE HE1 . . 4.600 4.071 3.028 4.550 . 0 0 "[ . 1 . 2]" 1
202 1 11 VAL MG1 1 21 PHE HE2 . . 4.900 4.130 2.700 4.651 . 0 0 "[ . 1 . 2]" 1
203 1 11 VAL MG2 1 14 ASN HD21 . . 5.500 5.524 5.501 5.571 0.071 6 0 "[ . 1 . 2]" 1
204 1 12 VAL H 1 12 VAL HB . . 3.420 2.529 2.415 2.643 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL H 1 12 VAL QG . . 2.860 2.193 1.942 2.501 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL HA 1 18 ARG HE . . 5.500 5.485 4.857 5.574 0.074 6 0 "[ . 1 . 2]" 1
207 1 12 VAL QG 1 13 LYS H . . 3.740 2.817 2.009 3.572 . 0 0 "[ . 1 . 2]" 1
208 1 13 LYS H 1 13 LYS QB . . 3.520 2.529 2.191 3.119 . 0 0 "[ . 1 . 2]" 1
209 1 13 LYS H 1 13 LYS QG . . 3.730 3.334 2.279 3.936 0.206 16 0 "[ . 1 . 2]" 1
210 1 13 LYS H 1 14 ASN H . . 4.100 2.768 2.321 3.811 . 0 0 "[ . 1 . 2]" 1
211 1 13 LYS H 1 14 ASN HA . . 5.480 4.742 4.527 5.221 . 0 0 "[ . 1 . 2]" 1
212 1 13 LYS HA 1 13 LYS QZ . . 4.750 4.238 2.522 4.726 . 0 0 "[ . 1 . 2]" 1
213 1 13 LYS HA 1 14 ASN H . . 3.330 2.784 2.315 3.260 . 0 0 "[ . 1 . 2]" 1
214 1 13 LYS QB 1 13 LYS QZ . . 4.760 2.999 1.882 4.026 . 0 0 "[ . 1 . 2]" 1
215 1 13 LYS HB2 1 13 LYS QZ . . 5.500 3.510 2.086 4.597 . 0 0 "[ . 1 . 2]" 1
216 1 13 LYS HB3 1 13 LYS QZ . . 5.500 3.426 1.982 5.066 . 0 0 "[ . 1 . 2]" 1
217 1 14 ASN H 1 14 ASN HB2 . . 3.220 2.915 2.634 3.247 0.027 16 0 "[ . 1 . 2]" 1
218 1 14 ASN H 1 14 ASN HB3 . . 3.270 2.888 2.765 3.033 . 0 0 "[ . 1 . 2]" 1
219 1 14 ASN H 1 15 PRO HD3 . . 4.260 3.056 2.755 3.485 . 0 0 "[ . 1 . 2]" 1
220 1 14 ASN H 1 18 ARG QB . . 4.620 3.839 3.536 4.232 . 0 0 "[ . 1 . 2]" 1
221 1 14 ASN H 1 18 ARG QD . . 5.340 5.178 4.362 5.437 0.097 19 0 "[ . 1 . 2]" 1
222 1 14 ASN HA 1 15 PRO HD2 . . 3.010 2.126 2.032 2.210 . 0 0 "[ . 1 . 2]" 1
223 1 14 ASN HA 1 15 PRO HD3 . . 3.070 2.978 2.844 3.085 0.015 5 0 "[ . 1 . 2]" 1
224 1 14 ASN HA 1 15 PRO HG2 . . 4.260 4.243 4.180 4.300 0.040 5 0 "[ . 1 . 2]" 1
225 1 14 ASN HA 1 16 LYS H . . 4.320 3.099 3.048 3.223 . 0 0 "[ . 1 . 2]" 1
226 1 14 ASN HA 1 17 ARG H . . 5.500 4.409 4.176 4.738 . 0 0 "[ . 1 . 2]" 1
227 1 14 ASN HA 1 18 ARG H . . 5.210 4.864 4.735 5.025 . 0 0 "[ . 1 . 2]" 1
228 1 14 ASN HB2 1 15 PRO HD2 . . 4.840 4.649 4.613 4.682 . 0 0 "[ . 1 . 2]" 1
229 1 14 ASN HB2 1 16 LYS H . . 5.380 5.086 4.926 5.351 . 0 0 "[ . 1 . 2]" 1
230 1 14 ASN HB2 1 18 ARG H . . 5.280 5.259 5.150 5.338 0.058 20 0 "[ . 1 . 2]" 1
231 1 14 ASN HB3 1 15 PRO HD2 . . 4.840 4.800 4.715 4.825 . 0 0 "[ . 1 . 2]" 1
232 1 14 ASN HB3 1 18 ARG H . . 4.600 3.678 3.568 3.775 . 0 0 "[ . 1 . 2]" 1
233 1 14 ASN HB3 1 18 ARG HB2 . . 4.560 3.062 1.994 3.594 . 0 0 "[ . 1 . 2]" 1
234 1 14 ASN HB3 1 18 ARG QB . . 3.900 2.989 1.967 3.469 . 0 0 "[ . 1 . 2]" 1
235 1 14 ASN HB3 1 18 ARG HB3 . . 4.560 4.278 3.012 4.579 0.019 2 0 "[ . 1 . 2]" 1
236 1 14 ASN HD21 1 15 PRO HD2 . . 5.500 4.973 4.609 5.177 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASN HD21 1 16 LYS H . . 5.350 3.370 2.743 3.573 . 0 0 "[ . 1 . 2]" 1
238 1 14 ASN HD21 1 16 LYS HA . . 5.210 5.202 4.643 5.335 0.125 18 0 "[ . 1 . 2]" 1
239 1 14 ASN HD21 1 16 LYS QB . . 4.620 4.180 2.550 4.667 0.047 5 0 "[ . 1 . 2]" 1
240 1 14 ASN HD21 1 16 LYS HD2 . . 5.500 4.850 3.867 5.511 0.011 19 0 "[ . 1 . 2]" 1
241 1 14 ASN HD21 1 16 LYS QD . . 4.660 4.315 3.765 4.695 0.035 19 0 "[ . 1 . 2]" 1
242 1 14 ASN HD21 1 16 LYS HD3 . . 5.500 5.101 4.108 5.522 0.022 13 0 "[ . 1 . 2]" 1
243 1 14 ASN HD21 1 16 LYS QG . . 5.340 2.882 2.551 3.860 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASN HD21 1 17 ARG H . . 5.030 1.935 1.879 2.161 . 0 0 "[ . 1 . 2]" 1
245 1 14 ASN HD21 1 18 ARG HD2 . . 5.500 4.967 3.859 5.515 0.015 18 0 "[ . 1 . 2]" 1
246 1 14 ASN HD21 1 18 ARG HD3 . . 5.500 4.503 2.339 5.500 0.000 10 0 "[ . 1 . 2]" 1
247 1 14 ASN HD22 1 16 LYS H . . 4.900 3.840 3.533 4.135 . 0 0 "[ . 1 . 2]" 1
248 1 14 ASN HD22 1 16 LYS HB2 . . 4.940 3.907 2.196 4.811 . 0 0 "[ . 1 . 2]" 1
249 1 14 ASN HD22 1 16 LYS QB . . 4.340 3.619 2.183 4.329 . 0 0 "[ . 1 . 2]" 1
250 1 14 ASN HD22 1 16 LYS HB3 . . 4.940 4.520 3.814 4.910 . 0 0 "[ . 1 . 2]" 1
251 1 14 ASN HD22 1 16 LYS QG . . 4.370 2.224 1.874 3.482 . 0 0 "[ . 1 . 2]" 1
252 1 14 ASN HD22 1 17 ARG H . . 4.190 2.526 2.197 3.089 . 0 0 "[ . 1 . 2]" 1
253 1 15 PRO HA 1 16 LYS H . . 3.500 3.401 3.357 3.478 . 0 0 "[ . 1 . 2]" 1
254 1 15 PRO HA 1 18 ARG H . . 4.620 3.298 3.229 3.348 . 0 0 "[ . 1 . 2]" 1
255 1 15 PRO HA 1 20 ARG HD2 . . 5.500 5.251 4.274 5.567 0.067 19 0 "[ . 1 . 2]" 1
256 1 15 PRO HA 1 20 ARG HD3 . . 5.500 4.765 3.839 5.515 0.015 2 0 "[ . 1 . 2]" 1
257 1 15 PRO QB 1 16 LYS H . . 4.070 3.551 3.374 3.636 . 0 0 "[ . 1 . 2]" 1
258 1 15 PRO QB 1 17 ARG H . . 5.340 5.152 4.698 5.365 0.025 20 0 "[ . 1 . 2]" 1
259 1 15 PRO HB2 1 18 ARG H . . 5.500 5.450 5.371 5.510 0.010 2 0 "[ . 1 . 2]" 1
260 1 15 PRO HB3 1 18 ARG H . . 5.500 5.534 5.485 5.594 0.094 19 0 "[ . 1 . 2]" 1
261 1 15 PRO HD2 1 16 LYS H . . 3.810 2.812 2.682 2.900 . 0 0 "[ . 1 . 2]" 1
262 1 15 PRO HD2 1 16 LYS QG . . 4.140 3.563 2.964 3.933 . 0 0 "[ . 1 . 2]" 1
263 1 15 PRO HD3 1 16 LYS H . . 4.200 3.929 3.860 3.976 . 0 0 "[ . 1 . 2]" 1
264 1 15 PRO HG2 1 16 LYS H . . 3.520 2.976 2.640 3.150 . 0 0 "[ . 1 . 2]" 1
265 1 16 LYS H 1 16 LYS HB2 . . 3.770 3.391 2.774 3.607 . 0 0 "[ . 1 . 2]" 1
266 1 16 LYS H 1 16 LYS QB . . 3.140 2.585 2.451 2.693 . 0 0 "[ . 1 . 2]" 1
267 1 16 LYS H 1 16 LYS HB3 . . 3.770 2.849 2.495 3.575 . 0 0 "[ . 1 . 2]" 1
268 1 16 LYS H 1 16 LYS HG2 . . 4.000 2.148 1.900 3.168 . 0 0 "[ . 1 . 2]" 1
269 1 16 LYS H 1 16 LYS QG . . 3.420 1.978 1.891 2.248 . 0 0 "[ . 1 . 2]" 1
270 1 16 LYS H 1 16 LYS HG3 . . 4.000 3.037 1.934 3.470 . 0 0 "[ . 1 . 2]" 1
271 1 16 LYS H 1 18 ARG H . . 4.110 3.569 3.380 3.984 . 0 0 "[ . 1 . 2]" 1
272 1 16 LYS HA 1 16 LYS QG . . 3.670 3.222 2.584 3.406 . 0 0 "[ . 1 . 2]" 1
273 1 16 LYS QG 1 17 ARG H . . 3.420 2.495 1.937 3.574 0.154 13 0 "[ . 1 . 2]" 1
274 1 16 LYS QG 1 18 ARG H . . 5.340 3.986 3.485 4.824 . 0 0 "[ . 1 . 2]" 1
275 1 17 ARG H 1 17 ARG QB . . 3.120 2.505 2.389 2.662 . 0 0 "[ . 1 . 2]" 1
276 1 17 ARG H 1 18 ARG H . . 3.470 1.929 1.873 2.019 . 0 0 "[ . 1 . 2]" 1
277 1 17 ARG HA 1 17 ARG QD . . 3.900 2.887 2.024 3.899 . 0 0 "[ . 1 . 2]" 1
278 1 17 ARG HA 1 17 ARG HE . . 5.170 4.173 2.234 5.142 . 0 0 "[ . 1 . 2]" 1
279 1 17 ARG HA 1 17 ARG HG2 . . 4.230 3.080 2.108 4.225 . 0 0 "[ . 1 . 2]" 1
280 1 17 ARG HA 1 17 ARG HG3 . . 4.230 3.105 2.109 3.792 . 0 0 "[ . 1 . 2]" 1
281 1 17 ARG QB 1 17 ARG HE . . 4.660 3.323 2.002 4.284 . 0 0 "[ . 1 . 2]" 1
282 1 18 ARG H 1 18 ARG HB2 . . 3.610 2.571 2.401 2.756 . 0 0 "[ . 1 . 2]" 1
283 1 18 ARG H 1 18 ARG QB . . 3.080 2.508 2.266 2.687 . 0 0 "[ . 1 . 2]" 1
284 1 18 ARG H 1 18 ARG HB3 . . 3.610 3.542 2.782 3.720 0.110 13 0 "[ . 1 . 2]" 1
285 1 18 ARG H 1 18 ARG QD . . 4.970 3.992 2.622 4.994 0.024 10 0 "[ . 1 . 2]" 1
286 1 18 ARG HA 1 18 ARG QD . . 4.580 3.253 2.002 4.133 . 0 0 "[ . 1 . 2]" 1
287 1 18 ARG HA 1 18 ARG HG2 . . 4.110 2.913 2.280 3.668 . 0 0 "[ . 1 . 2]" 1
288 1 18 ARG HA 1 18 ARG QG . . 3.550 2.534 2.066 3.141 . 0 0 "[ . 1 . 2]" 1
289 1 18 ARG HA 1 18 ARG HG3 . . 4.110 3.039 2.084 3.886 . 0 0 "[ . 1 . 2]" 1
290 1 18 ARG HA 1 19 PHE H . . 2.860 2.585 2.208 2.721 . 0 0 "[ . 1 . 2]" 1
291 1 18 ARG HA 1 19 PHE HA . . 5.060 4.415 4.313 4.546 . 0 0 "[ . 1 . 2]" 1
292 1 18 ARG HA 1 19 PHE QD . . 5.050 3.844 3.033 4.509 . 0 0 "[ . 1 . 2]" 1
293 1 18 ARG QB 1 18 ARG QD . . 3.230 2.427 1.977 2.886 . 0 0 "[ . 1 . 2]" 1
294 1 18 ARG QB 1 18 ARG HE . . 4.320 2.647 1.930 3.994 . 0 0 "[ . 1 . 2]" 1
295 1 18 ARG HB2 1 18 ARG HE . . 5.020 3.605 2.367 4.362 . 0 0 "[ . 1 . 2]" 1
296 1 18 ARG HB3 1 18 ARG HE . . 5.020 2.875 1.940 4.633 . 0 0 "[ . 1 . 2]" 1
297 1 18 ARG HE 1 18 ARG QG . . 3.690 2.796 2.161 3.315 . 0 0 "[ . 1 . 2]" 1
298 1 19 PHE H 1 19 PHE QB . . 3.220 2.529 2.288 3.082 . 0 0 "[ . 1 . 2]" 1
299 1 19 PHE H 1 19 PHE QD . . 4.330 2.832 2.034 3.431 . 0 0 "[ . 1 . 2]" 1
300 1 19 PHE HA 1 19 PHE QD . . 3.900 2.880 2.103 3.711 . 0 0 "[ . 1 . 2]" 1
301 1 19 PHE HA 1 20 ARG HA . . 5.500 4.408 4.291 5.218 . 0 0 "[ . 1 . 2]" 1
302 1 19 PHE QB 1 20 ARG H . . 3.380 2.495 1.935 3.342 . 0 0 "[ . 1 . 2]" 1
303 1 19 PHE QB 1 20 ARG HA . . 4.600 4.397 4.059 4.713 0.113 19 0 "[ . 1 . 2]" 1
304 1 19 PHE QD 1 20 ARG H . . 4.710 3.769 2.799 4.293 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG H 1 20 ARG QB . . 3.480 2.698 2.045 3.113 . 0 0 "[ . 1 . 2]" 1
306 1 20 ARG H 1 20 ARG QG . . 3.740 2.607 2.025 3.897 0.157 7 0 "[ . 1 . 2]" 1
307 1 20 ARG HA 1 20 ARG QD . . 4.460 3.450 2.175 4.040 . 0 0 "[ . 1 . 2]" 1
308 1 20 ARG HA 1 20 ARG HE . . 5.500 5.317 4.339 5.524 0.024 19 0 "[ . 1 . 2]" 1
309 1 20 ARG HA 1 21 PHE H . . 2.780 2.302 2.140 2.934 0.154 17 0 "[ . 1 . 2]" 1
310 1 20 ARG HA 1 21 PHE HA . . 5.500 4.410 4.349 4.919 . 0 0 "[ . 1 . 2]" 1
311 1 20 ARG HA 1 21 PHE QD . . 4.670 3.832 2.724 4.271 . 0 0 "[ . 1 . 2]" 1
312 1 20 ARG QG 1 21 PHE H . . 4.880 3.765 2.254 4.532 . 0 0 "[ . 1 . 2]" 1
313 1 20 ARG QG 1 21 PHE HA . . 4.730 4.605 4.407 4.820 0.090 17 0 "[ . 1 . 2]" 1
314 1 20 ARG QG 1 21 PHE QD . . 5.340 5.113 3.814 5.440 0.100 19 0 "[ . 1 . 2]" 1
315 1 21 PHE H 1 21 PHE HB2 . . 4.030 2.998 2.533 3.679 . 0 0 "[ . 1 . 2]" 1
316 1 21 PHE H 1 21 PHE QB . . 3.520 2.801 2.492 3.310 . 0 0 "[ . 1 . 2]" 1
317 1 21 PHE H 1 21 PHE HB3 . . 4.030 3.639 3.327 3.997 . 0 0 "[ . 1 . 2]" 1
318 1 21 PHE H 1 21 PHE QD . . 4.090 2.957 2.240 3.331 . 0 0 "[ . 1 . 2]" 1
319 1 21 PHE HA 1 21 PHE QD . . 4.160 2.858 2.123 3.645 . 0 0 "[ . 1 . 2]" 1
320 1 21 PHE HA 1 23 ALA H . . 4.080 3.524 3.105 4.102 0.022 9 0 "[ . 1 . 2]" 1
321 1 21 PHE HA 1 23 ALA HA . . 4.850 5.002 4.864 5.162 0.312 17 0 "[ . 1 . 2]" 1
322 1 21 PHE QB 1 23 ALA H . . 3.820 3.211 2.530 3.646 . 0 0 "[ . 1 . 2]" 1
323 1 21 PHE QB 1 23 ALA MB . . 4.690 3.680 3.163 4.134 . 0 0 "[ . 1 . 2]" 1
324 1 21 PHE HB2 1 22 THR H . . 4.300 3.442 1.898 4.407 0.107 7 0 "[ . 1 . 2]" 1
325 1 21 PHE HB2 1 23 ALA H . . 4.520 3.757 2.562 4.553 0.033 15 0 "[ . 1 . 2]" 1
326 1 21 PHE HB3 1 22 THR H . . 4.300 3.980 2.799 4.451 0.151 13 0 "[ . 1 . 2]" 1
327 1 21 PHE HB3 1 23 ALA H . . 4.520 3.721 2.745 4.431 . 0 0 "[ . 1 . 2]" 1
328 1 21 PHE QD 1 22 THR MG . . 5.500 5.283 3.669 5.614 0.114 19 0 "[ . 1 . 2]" 1
329 1 21 PHE QD 1 23 ALA H . . 5.270 4.851 3.948 5.304 0.034 17 0 "[ . 1 . 2]" 1
330 1 21 PHE QD 1 23 ALA MB . . 5.390 4.909 4.309 5.398 0.008 4 0 "[ . 1 . 2]" 1
331 1 22 THR H 1 22 THR MG . . 3.270 2.508 1.999 3.159 . 0 0 "[ . 1 . 2]" 1
332 1 22 THR H 1 23 ALA H . . 3.500 2.837 2.491 3.441 . 0 0 "[ . 1 . 2]" 1
333 1 22 THR H 1 23 ALA MB . . 4.830 4.688 4.452 4.904 0.074 15 0 "[ . 1 . 2]" 1
334 1 22 THR MG 1 23 ALA H . . 5.160 3.789 2.100 4.404 . 0 0 "[ . 1 . 2]" 1
335 1 22 THR MG 1 24 ASN H . . 5.500 4.273 2.066 5.014 . 0 0 "[ . 1 . 2]" 1
336 1 23 ALA MB 1 24 ASN H . . 5.500 3.169 2.455 3.707 . 0 0 "[ . 1 . 2]" 1
337 1 24 ASN H 1 24 ASN QB . . 3.430 2.593 2.248 3.404 . 0 0 "[ . 1 . 2]" 1
338 1 24 ASN H 1 24 ASN QD . . 5.240 4.203 2.824 4.701 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASN QD 1 25 LEU H . . 4.870 3.868 2.918 4.797 . 0 0 "[ . 1 . 2]" 1
340 1 25 LEU H 1 25 LEU QB . . 3.080 2.439 2.176 2.987 . 0 0 "[ . 1 . 2]" 1
341 1 25 LEU HA 1 25 LEU QD . . 4.000 2.601 1.974 3.359 . 0 0 "[ . 1 . 2]" 1
stop_
save_