NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388138 |
1mvg   |
5512 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mvg
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 278
_Distance_constraint_stats_list.Viol_count 267
_Distance_constraint_stats_list.Viol_total 201.034
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0264
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0753
_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 2 PHE 0.000 0.000 . 0 "[ . 1]"
1 5 THR 0.000 0.000 . 0 "[ . 1]"
1 6 TRP 0.172 0.048 7 0 "[ . 1]"
1 7 GLN 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 0.000 0.000 . 0 "[ . 1]"
1 9 TYR 0.000 0.000 . 0 "[ . 1]"
1 12 GLU 0.506 0.087 8 0 "[ . 1]"
1 13 ASN 0.000 0.000 . 0 "[ . 1]"
1 14 TYR 0.000 0.000 . 0 "[ . 1]"
1 15 GLU 0.000 0.000 . 0 "[ . 1]"
1 16 GLU 0.000 0.000 . 0 "[ . 1]"
1 17 PHE 0.000 0.000 . 0 "[ . 1]"
1 18 LEU 0.000 0.000 . 0 "[ . 1]"
1 19 LYS 0.786 0.111 6 0 "[ . 1]"
1 20 ALA 0.000 0.000 . 0 "[ . 1]"
1 21 LEU 0.436 0.071 9 0 "[ . 1]"
1 22 ALA 0.468 0.091 5 0 "[ . 1]"
1 23 LEU 0.147 0.147 1 0 "[ . 1]"
1 25 GLU 0.712 0.107 1 0 "[ . 1]"
1 26 ASP 0.668 0.185 6 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 28 ILE 0.000 0.000 . 0 "[ . 1]"
1 29 LYS 0.182 0.099 10 0 "[ . 1]"
1 30 MET 0.000 0.000 . 0 "[ . 1]"
1 32 ARG 0.140 0.132 7 0 "[ . 1]"
1 33 ASP 0.082 0.045 2 0 "[ . 1]"
1 34 ILE 0.000 0.000 . 0 "[ . 1]"
1 35 LYS 0.649 0.075 5 0 "[ . 1]"
1 37 ILE 0.067 0.067 5 0 "[ . 1]"
1 38 VAL 0.000 0.000 . 0 "[ . 1]"
1 39 GLU 0.000 0.000 . 0 "[ . 1]"
1 40 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 GLN 0.000 0.000 . 0 "[ . 1]"
1 42 GLN 0.000 0.000 . 0 "[ . 1]"
1 43 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 ASP 0.324 0.192 1 0 "[ . 1]"
1 46 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 VAL 0.394 0.200 8 0 "[ . 1]"
1 49 VAL 0.000 0.000 . 0 "[ . 1]"
1 50 THR 0.000 0.000 . 0 "[ . 1]"
1 51 SER 1.235 0.145 10 0 "[ . 1]"
1 52 LYS 0.380 0.128 7 0 "[ . 1]"
1 55 ARG 0.054 0.054 2 0 "[ . 1]"
1 56 GLN 0.327 0.137 5 0 "[ . 1]"
1 57 THR 0.299 0.104 2 0 "[ . 1]"
1 58 VAL 1.562 0.176 6 0 "[ . 1]"
1 59 THR 0.332 0.137 3 0 "[ . 1]"
1 60 ASN 0.588 0.135 8 0 "[ . 1]"
1 61 SER 0.569 0.078 4 0 "[ . 1]"
1 62 PHE 0.000 0.000 . 0 "[ . 1]"
1 63 THR 0.000 0.000 . 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 GLY 0.000 0.000 . 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 69 ASP 0.017 0.017 9 0 "[ . 1]"
1 70 ILE 0.222 0.171 3 0 "[ . 1]"
1 71 THR 0.000 0.000 . 0 "[ . 1]"
1 72 THR 0.000 0.000 . 0 "[ . 1]"
1 74 ASP 0.276 0.182 5 0 "[ . 1]"
1 77 LYS 0.000 0.000 . 0 "[ . 1]"
1 78 LEU 0.000 0.000 . 0 "[ . 1]"
1 79 LYS 0.000 0.000 . 0 "[ . 1]"
1 81 THR 0.017 0.017 6 0 "[ . 1]"
1 82 VAL 0.051 0.051 9 0 "[ . 1]"
1 83 HIS 0.621 0.107 3 0 "[ . 1]"
1 84 LEU 0.628 0.181 5 0 "[ . 1]"
1 86 ASN 0.122 0.040 3 0 "[ . 1]"
1 88 LYS 0.000 0.000 . 0 "[ . 1]"
1 89 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 VAL 0.043 0.043 1 0 "[ . 1]"
1 92 LYS 0.416 0.129 10 0 "[ . 1]"
1 94 GLU 0.000 0.000 . 0 "[ . 1]"
1 95 LYS 0.177 0.093 3 0 "[ . 1]"
1 96 PHE 0.000 0.000 . 0 "[ . 1]"
1 98 HIS 0.084 0.044 4 0 "[ . 1]"
1 99 GLU 0.055 0.025 8 0 "[ . 1]"
1 100 GLN 0.000 0.000 . 0 "[ . 1]"
1 101 GLU 0.681 0.083 9 0 "[ . 1]"
1 102 VAL 0.000 0.000 . 0 "[ . 1]"
1 103 LYS 1.494 0.190 8 0 "[ . 1]"
1 105 ASN 0.000 0.000 . 0 "[ . 1]"
1 106 GLU 0.190 0.122 7 0 "[ . 1]"
1 107 MET 0.211 0.161 6 0 "[ . 1]"
1 108 VAL 0.134 0.090 10 0 "[ . 1]"
1 109 GLU 0.000 0.000 . 0 "[ . 1]"
1 110 THR 0.263 0.135 5 0 "[ . 1]"
1 111 ILE 0.071 0.017 6 0 "[ . 1]"
1 112 THR 0.000 0.000 . 0 "[ . 1]"
1 113 PHE 0.000 0.000 . 0 "[ . 1]"
1 115 GLY 0.000 0.000 . 0 "[ . 1]"
1 116 VAL 0.000 0.000 . 0 "[ . 1]"
1 117 THR 0.054 0.054 3 0 "[ . 1]"
1 118 LEU 1.375 0.171 1 0 "[ . 1]"
1 119 ILE 0.652 0.101 10 0 "[ . 1]"
1 121 ARG 0.000 0.000 . 0 "[ . 1]"
1 122 SER 0.000 0.000 . 0 "[ . 1]"
1 123 LYS 0.009 0.009 1 0 "[ . 1]"
1 124 ARG 1.102 0.098 1 0 "[ . 1]"
1 125 VAL 0.058 0.058 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PHE H 1 2 PHE HB2 10.000 . 3.950 2.507 2.295 2.888 . 0 0 "[ . 1]" 1
2 1 2 PHE H 1 2 PHE QB 10.000 . 3.550 2.464 2.268 2.816 . 0 0 "[ . 1]" 1
3 1 2 PHE H 1 2 PHE HB3 10.000 . 3.950 3.659 3.546 3.907 . 0 0 "[ . 1]" 1
4 1 5 THR H 1 5 THR HB 10.000 . 2.800 2.644 2.547 2.716 . 0 0 "[ . 1]" 1
5 1 6 TRP H 1 6 TRP HB2 10.000 . 3.880 2.703 2.623 2.785 . 0 0 "[ . 1]" 1
6 1 6 TRP H 1 6 TRP QB 10.000 . 3.630 2.649 2.576 2.724 . 0 0 "[ . 1]" 1
7 1 6 TRP H 1 6 TRP HB3 10.000 . 3.880 3.807 3.759 3.859 . 0 0 "[ . 1]" 1
8 1 6 TRP H 1 6 TRP HD1 10.000 . 3.670 3.248 2.861 3.427 . 0 0 "[ . 1]" 1
9 1 6 TRP HA 1 6 TRP HE3 10.000 . 3.950 3.280 3.031 3.877 . 0 0 "[ . 1]" 1
10 1 6 TRP HB2 1 6 TRP HE3 10.000 . 4.140 4.145 4.024 4.188 0.048 7 0 "[ . 1]" 1
11 1 6 TRP HB3 1 6 TRP HE3 10.000 . 4.140 2.626 2.538 2.697 . 0 0 "[ . 1]" 1
12 1 7 GLN H 1 7 GLN HG2 10.000 . 5.500 4.694 3.542 5.012 . 0 0 "[ . 1]" 1
13 1 7 GLN H 1 7 GLN QG 10.000 . 4.880 4.018 3.372 4.188 . 0 0 "[ . 1]" 1
14 1 7 GLN H 1 7 GLN HG3 10.000 . 5.500 4.439 4.234 4.887 . 0 0 "[ . 1]" 1
15 1 8 VAL H 1 8 VAL HB 10.000 . 2.830 2.507 2.412 2.822 . 0 0 "[ . 1]" 1
16 1 8 VAL H 1 8 VAL QG 10.000 . 4.200 2.070 1.898 2.180 . 0 0 "[ . 1]" 1
17 1 9 TYR H 1 9 TYR HB2 10.000 . 4.070 3.518 2.573 3.882 . 0 0 "[ . 1]" 1
18 1 9 TYR H 1 9 TYR HB3 10.000 . 4.070 2.827 2.211 3.232 . 0 0 "[ . 1]" 1
19 1 12 GLU H 1 12 GLU HA 10.000 . 2.880 2.931 2.905 2.967 0.087 8 0 "[ . 1]" 1
20 1 12 GLU H 1 12 GLU HG2 10.000 . 4.940 4.444 3.924 4.770 . 0 0 "[ . 1]" 1
21 1 12 GLU H 1 12 GLU QG 10.000 . 4.540 3.898 2.836 4.188 . 0 0 "[ . 1]" 1
22 1 12 GLU H 1 12 GLU HG3 10.000 . 4.940 4.413 2.909 4.827 . 0 0 "[ . 1]" 1
23 1 13 ASN H 1 13 ASN HA 10.000 . 2.490 2.210 2.189 2.248 . 0 0 "[ . 1]" 1
24 1 13 ASN H 1 13 ASN HB2 10.000 . 4.110 3.165 2.977 3.687 . 0 0 "[ . 1]" 1
25 1 13 ASN H 1 13 ASN QB 10.000 . 3.850 3.026 2.867 3.427 . 0 0 "[ . 1]" 1
26 1 13 ASN H 1 13 ASN HB3 10.000 . 4.110 3.875 3.745 4.084 . 0 0 "[ . 1]" 1
27 1 14 TYR H 1 14 TYR HB2 10.000 . 4.020 2.690 2.292 3.197 . 0 0 "[ . 1]" 1
28 1 14 TYR H 1 14 TYR HB3 10.000 . 4.020 2.358 2.171 2.970 . 0 0 "[ . 1]" 1
29 1 15 GLU H 1 15 GLU QB 10.000 . 3.900 2.316 2.107 2.653 . 0 0 "[ . 1]" 1
30 1 15 GLU H 1 15 GLU QG 10.000 . 5.110 2.955 2.071 3.970 . 0 0 "[ . 1]" 1
31 1 16 GLU H 1 16 GLU QB 10.000 . 3.800 2.264 2.130 2.459 . 0 0 "[ . 1]" 1
32 1 16 GLU H 1 16 GLU HG2 10.000 . 4.690 3.793 2.223 4.574 . 0 0 "[ . 1]" 1
33 1 16 GLU H 1 16 GLU QG 10.000 . 4.400 3.260 2.204 4.028 . 0 0 "[ . 1]" 1
34 1 16 GLU H 1 16 GLU HG3 10.000 . 4.690 3.808 2.322 4.498 . 0 0 "[ . 1]" 1
35 1 17 PHE H 1 17 PHE HB2 10.000 . 3.050 2.683 2.514 2.833 . 0 0 "[ . 1]" 1
36 1 17 PHE H 1 17 PHE HB3 10.000 . 3.050 2.333 2.134 2.544 . 0 0 "[ . 1]" 1
37 1 17 PHE QE 1 116 VAL QG 10.000 . 10.210 4.623 4.004 5.212 . 0 0 "[ . 1]" 1
38 1 18 LEU H 1 18 LEU MD1 10.000 . 5.350 3.540 3.425 3.651 . 0 0 "[ . 1]" 1
39 1 18 LEU H 1 18 LEU MD2 10.000 . 5.350 3.431 3.261 3.618 . 0 0 "[ . 1]" 1
40 1 18 LEU H 1 18 LEU HG 10.000 . 3.170 2.264 2.204 2.366 . 0 0 "[ . 1]" 1
41 1 18 LEU QD 1 21 LEU QD 10.000 . 10.690 2.545 2.275 2.875 . 0 0 "[ . 1]" 1
42 1 19 LYS H 1 19 LYS HA 10.000 . 2.770 2.849 2.818 2.881 0.111 6 0 "[ . 1]" 1
43 1 19 LYS H 1 19 LYS QB 10.000 . 3.830 2.261 2.179 2.429 . 0 0 "[ . 1]" 1
44 1 19 LYS H 1 19 LYS QD 10.000 . 4.860 4.123 3.454 4.398 . 0 0 "[ . 1]" 1
45 1 19 LYS HA 1 19 LYS QG 10.000 . 3.990 2.652 2.297 3.523 . 0 0 "[ . 1]" 1
46 1 20 ALA H 1 20 ALA MB 10.000 . 3.490 2.242 2.217 2.261 . 0 0 "[ . 1]" 1
47 1 21 LEU H 1 21 LEU HA 10.000 . 2.870 2.879 2.791 2.941 0.071 9 0 "[ . 1]" 1
48 1 21 LEU H 1 21 LEU HB2 10.000 . 3.590 2.422 2.304 2.519 . 0 0 "[ . 1]" 1
49 1 21 LEU H 1 21 LEU QB 10.000 . 3.060 2.265 2.126 2.437 . 0 0 "[ . 1]" 1
50 1 21 LEU H 1 21 LEU HB3 10.000 . 3.590 3.015 2.298 3.636 0.046 7 0 "[ . 1]" 1
51 1 21 LEU H 1 21 LEU MD1 10.000 . 5.040 3.903 3.675 4.141 . 0 0 "[ . 1]" 1
52 1 21 LEU H 1 21 LEU QD 10.000 . 4.570 3.478 3.231 3.653 . 0 0 "[ . 1]" 1
53 1 21 LEU H 1 21 LEU MD2 10.000 . 5.040 3.916 3.538 4.174 . 0 0 "[ . 1]" 1
54 1 21 LEU H 1 21 LEU HG 10.000 . 4.480 3.556 2.530 4.486 0.006 8 0 "[ . 1]" 1
55 1 21 LEU HA 1 21 LEU QD 10.000 . 4.180 2.150 2.068 2.278 . 0 0 "[ . 1]" 1
56 1 21 LEU HA 1 21 LEU HG 10.000 . 3.950 3.096 2.904 3.231 . 0 0 "[ . 1]" 1
57 1 22 ALA H 1 22 ALA HA 10.000 . 2.760 2.806 2.750 2.851 0.091 5 0 "[ . 1]" 1
58 1 23 LEU H 1 23 LEU HG 10.000 . 3.390 2.843 1.994 3.537 0.147 1 0 "[ . 1]" 1
59 1 23 LEU HA 1 23 LEU HG 10.000 . 3.950 3.387 2.221 3.766 . 0 0 "[ . 1]" 1
60 1 25 GLU H 1 25 GLU HA 10.000 . 2.900 2.730 2.697 2.805 . 0 0 "[ . 1]" 1
61 1 25 GLU H 1 25 GLU HB2 10.000 . 3.420 2.920 2.212 3.527 0.107 1 0 "[ . 1]" 1
62 1 25 GLU H 1 25 GLU QB 10.000 . 3.190 2.266 2.126 2.350 . 0 0 "[ . 1]" 1
63 1 25 GLU H 1 25 GLU HB3 10.000 . 3.420 2.673 2.320 3.520 0.100 10 0 "[ . 1]" 1
64 1 25 GLU H 1 25 GLU HG2 10.000 . 5.340 3.297 2.269 4.541 . 0 0 "[ . 1]" 1
65 1 25 GLU H 1 25 GLU QG 10.000 . 4.620 2.827 2.125 3.943 . 0 0 "[ . 1]" 1
66 1 25 GLU H 1 25 GLU HG3 10.000 . 5.340 3.513 2.148 4.341 . 0 0 "[ . 1]" 1
67 1 26 ASP H 1 26 ASP HB2 10.000 . 3.360 2.523 2.457 2.623 . 0 0 "[ . 1]" 1
68 1 26 ASP H 1 26 ASP HB3 10.000 . 3.360 2.881 2.374 3.545 0.185 6 0 "[ . 1]" 1
69 1 27 LEU H 1 27 LEU HG 10.000 . 2.710 2.537 2.237 2.656 . 0 0 "[ . 1]" 1
70 1 27 LEU HA 1 27 LEU HG 10.000 . 4.070 3.268 3.185 3.334 . 0 0 "[ . 1]" 1
71 1 28 ILE H 1 28 ILE MD 10.000 . 5.120 4.141 3.753 4.287 . 0 0 "[ . 1]" 1
72 1 28 ILE H 1 28 ILE QG 10.000 . 4.330 2.823 2.257 3.895 . 0 0 "[ . 1]" 1
73 1 28 ILE H 1 28 ILE MG 10.000 . 4.200 2.160 2.028 2.430 . 0 0 "[ . 1]" 1
74 1 28 ILE HA 1 28 ILE MD 10.000 . 4.330 3.449 2.407 3.654 . 0 0 "[ . 1]" 1
75 1 29 LYS HA 1 29 LYS HD2 10.000 . 4.720 4.161 2.316 4.641 . 0 0 "[ . 1]" 1
76 1 29 LYS HA 1 29 LYS QD 10.000 . 4.580 3.719 2.285 4.209 . 0 0 "[ . 1]" 1
77 1 29 LYS HA 1 29 LYS HD3 10.000 . 4.720 4.343 2.541 4.819 0.099 10 0 "[ . 1]" 1
78 1 30 MET H 1 30 MET HG2 10.000 . 5.340 3.966 3.434 4.513 . 0 0 "[ . 1]" 1
79 1 30 MET H 1 30 MET QG 10.000 . 5.120 3.049 2.147 3.986 . 0 0 "[ . 1]" 1
80 1 30 MET H 1 30 MET HG3 10.000 . 5.340 3.257 2.170 4.516 . 0 0 "[ . 1]" 1
81 1 32 ARG H 1 32 ARG HB2 10.000 . 3.140 2.288 2.051 2.517 . 0 0 "[ . 1]" 1
82 1 32 ARG H 1 32 ARG QB 10.000 . 2.880 2.146 2.031 2.234 . 0 0 "[ . 1]" 1
83 1 32 ARG H 1 32 ARG HB3 10.000 . 3.140 2.692 2.472 3.272 0.132 7 0 "[ . 1]" 1
84 1 32 ARG HA 1 32 ARG HB2 10.000 . 3.050 2.524 2.432 2.889 . 0 0 "[ . 1]" 1
85 1 32 ARG HA 1 32 ARG HB3 10.000 . 3.050 3.031 2.902 3.054 0.004 8 0 "[ . 1]" 1
86 1 32 ARG QB 1 32 ARG HE 10.000 . 4.640 3.150 2.001 3.966 . 0 0 "[ . 1]" 1
87 1 32 ARG HB2 1 32 ARG HE 10.000 . 5.500 3.695 2.028 4.537 . 0 0 "[ . 1]" 1
88 1 32 ARG HB3 1 32 ARG HE 10.000 . 5.500 3.666 2.649 4.556 . 0 0 "[ . 1]" 1
89 1 33 ASP H 1 33 ASP HB2 10.000 . 3.670 2.865 2.522 3.023 . 0 0 "[ . 1]" 1
90 1 33 ASP H 1 33 ASP QB 10.000 . 3.300 2.462 2.399 2.512 . 0 0 "[ . 1]" 1
91 1 33 ASP H 1 33 ASP HB3 10.000 . 3.670 2.846 2.550 3.715 0.045 2 0 "[ . 1]" 1
92 1 34 ILE H 1 34 ILE HB 10.000 . 2.870 2.570 2.330 2.726 . 0 0 "[ . 1]" 1
93 1 35 LYS H 1 35 LYS HA 10.000 . 2.900 2.965 2.954 2.975 0.075 5 0 "[ . 1]" 1
94 1 37 ILE H 1 37 ILE HB 10.000 . 2.870 2.597 2.263 2.937 0.067 5 0 "[ . 1]" 1
95 1 37 ILE H 1 37 ILE MD 10.000 . 5.320 4.048 3.378 4.499 . 0 0 "[ . 1]" 1
96 1 37 ILE HA 1 37 ILE MD 10.000 . 4.200 2.686 2.113 3.616 . 0 0 "[ . 1]" 1
97 1 38 VAL H 1 38 VAL HB 10.000 . 3.170 2.571 2.528 2.619 . 0 0 "[ . 1]" 1
98 1 39 GLU H 1 39 GLU HB2 10.000 . 3.670 3.264 3.138 3.374 . 0 0 "[ . 1]" 1
99 1 39 GLU H 1 39 GLU QB 10.000 . 3.470 2.710 2.549 2.805 . 0 0 "[ . 1]" 1
100 1 39 GLU H 1 39 GLU HB3 10.000 . 3.670 2.900 2.696 3.102 . 0 0 "[ . 1]" 1
101 1 40 ILE H 1 40 ILE HB 10.000 . 2.960 2.572 2.421 2.720 . 0 0 "[ . 1]" 1
102 1 40 ILE H 1 40 ILE MD 10.000 . 4.410 2.901 2.419 3.761 . 0 0 "[ . 1]" 1
103 1 40 ILE H 1 40 ILE MG 10.000 . 4.420 3.818 3.769 3.842 . 0 0 "[ . 1]" 1
104 1 41 GLN H 1 41 GLN HG2 10.000 . 5.160 4.465 4.135 4.857 . 0 0 "[ . 1]" 1
105 1 41 GLN H 1 41 GLN QG 10.000 . 4.900 3.901 3.065 4.136 . 0 0 "[ . 1]" 1
106 1 41 GLN H 1 41 GLN HG3 10.000 . 5.160 4.409 3.135 4.792 . 0 0 "[ . 1]" 1
107 1 41 GLN HA 1 41 GLN HG2 10.000 . 4.260 3.122 2.559 3.776 . 0 0 "[ . 1]" 1
108 1 41 GLN HA 1 41 GLN QG 10.000 . 3.950 2.479 2.355 2.946 . 0 0 "[ . 1]" 1
109 1 41 GLN HA 1 41 GLN HG3 10.000 . 4.260 2.659 2.469 3.243 . 0 0 "[ . 1]" 1
110 1 42 GLN H 1 42 GLN HG2 10.000 . 5.000 4.144 2.419 4.657 . 0 0 "[ . 1]" 1
111 1 42 GLN H 1 42 GLN QG 10.000 . 4.610 3.448 2.384 4.186 . 0 0 "[ . 1]" 1
112 1 42 GLN H 1 42 GLN HG3 10.000 . 5.000 3.960 2.414 4.810 . 0 0 "[ . 1]" 1
113 1 43 LYS H 1 43 LYS QD 10.000 . 5.540 4.469 3.480 4.995 . 0 0 "[ . 1]" 1
114 1 43 LYS H 1 43 LYS QE 10.000 . 6.380 5.017 4.211 5.809 . 0 0 "[ . 1]" 1
115 1 45 ASP H 1 45 ASP HB2 10.000 . 3.850 3.061 2.456 3.781 . 0 0 "[ . 1]" 1
116 1 45 ASP H 1 45 ASP QB 10.000 . 3.810 2.665 2.419 3.472 . 0 0 "[ . 1]" 1
117 1 45 ASP H 1 45 ASP HB3 10.000 . 3.850 3.370 2.489 4.042 0.192 1 0 "[ . 1]" 1
118 1 46 ASP H 1 46 ASP HB2 10.000 . 3.770 3.176 2.445 3.712 . 0 0 "[ . 1]" 1
119 1 46 ASP H 1 46 ASP QB 10.000 . 3.520 2.551 2.227 2.783 . 0 0 "[ . 1]" 1
120 1 46 ASP H 1 46 ASP HB3 10.000 . 3.770 2.879 2.408 3.606 . 0 0 "[ . 1]" 1
121 1 48 VAL H 1 48 VAL HB 10.000 . 2.900 2.749 2.468 3.100 0.200 8 0 "[ . 1]" 1
122 1 49 VAL H 1 49 VAL HB 10.000 . 3.050 2.483 2.348 2.631 . 0 0 "[ . 1]" 1
123 1 49 VAL QG 1 62 PHE QD 10.000 . 10.150 4.033 3.814 4.241 . 0 0 "[ . 1]" 1
124 1 50 THR H 1 50 THR HB 10.000 . 3.140 2.658 2.551 2.760 . 0 0 "[ . 1]" 1
125 1 51 SER H 1 51 SER HA 10.000 . 2.820 2.944 2.899 2.965 0.145 10 0 "[ . 1]" 1
126 1 52 LYS H 1 52 LYS HB2 10.000 . 3.640 2.879 2.500 3.206 . 0 0 "[ . 1]" 1
127 1 52 LYS H 1 52 LYS QB 10.000 . 3.390 2.549 2.436 2.692 . 0 0 "[ . 1]" 1
128 1 52 LYS H 1 52 LYS HB3 10.000 . 3.640 3.152 2.529 3.768 0.128 7 0 "[ . 1]" 1
129 1 52 LYS HA 1 52 LYS QE 10.000 . 5.170 4.252 2.139 4.749 . 0 0 "[ . 1]" 1
130 1 55 ARG H 1 55 ARG HG2 10.000 . 4.320 3.336 2.466 4.236 . 0 0 "[ . 1]" 1
131 1 55 ARG H 1 55 ARG QG 10.000 . 4.050 2.853 2.415 3.269 . 0 0 "[ . 1]" 1
132 1 55 ARG H 1 55 ARG HG3 10.000 . 4.320 3.431 2.628 4.374 0.054 2 0 "[ . 1]" 1
133 1 55 ARG HA 1 55 ARG HG2 10.000 . 4.200 3.157 2.480 3.865 . 0 0 "[ . 1]" 1
134 1 55 ARG HA 1 55 ARG QG 10.000 . 3.930 2.933 2.391 3.367 . 0 0 "[ . 1]" 1
135 1 55 ARG HA 1 55 ARG HG3 10.000 . 4.200 3.581 3.138 3.876 . 0 0 "[ . 1]" 1
136 1 56 GLN H 1 56 GLN HA 10.000 . 2.830 2.811 2.393 2.967 0.137 5 0 "[ . 1]" 1
137 1 57 THR H 1 57 THR HB 10.000 . 3.610 3.221 2.495 3.714 0.104 2 0 "[ . 1]" 1
138 1 58 VAL H 1 58 VAL HA 10.000 . 2.800 2.941 2.829 2.976 0.176 6 0 "[ . 1]" 1
139 1 58 VAL H 1 58 VAL HB 10.000 . 3.140 2.829 2.658 3.241 0.101 10 0 "[ . 1]" 1
140 1 59 THR H 1 59 THR HB 10.000 . 3.160 2.906 2.599 3.297 0.137 3 0 "[ . 1]" 1
141 1 60 ASN H 1 60 ASN HB2 10.000 . 3.760 3.524 2.845 3.895 0.135 8 0 "[ . 1]" 1
142 1 60 ASN H 1 60 ASN QB 10.000 . 3.500 3.033 2.641 3.356 . 0 0 "[ . 1]" 1
143 1 60 ASN H 1 60 ASN HB3 10.000 . 3.760 3.433 2.780 3.874 0.114 7 0 "[ . 1]" 1
144 1 61 SER H 1 61 SER HA 10.000 . 2.910 2.967 2.926 2.988 0.078 4 0 "[ . 1]" 1
145 1 62 PHE QE 1 82 VAL QG 10.000 . 10.210 3.169 2.227 6.294 . 0 0 "[ . 1]" 1
146 1 63 THR H 1 63 THR HB 10.000 . 2.960 2.726 2.485 2.829 . 0 0 "[ . 1]" 1
147 1 64 LEU H 1 64 LEU HG 10.000 . 3.170 2.229 2.074 2.512 . 0 0 "[ . 1]" 1
148 1 65 GLY H 1 65 GLY QA 10.000 . 2.580 2.209 2.180 2.317 . 0 0 "[ . 1]" 1
149 1 66 LYS H 1 66 LYS HB2 10.000 . 3.580 2.942 2.484 3.364 . 0 0 "[ . 1]" 1
150 1 66 LYS H 1 66 LYS QB 10.000 . 3.010 2.636 2.366 2.823 . 0 0 "[ . 1]" 1
151 1 66 LYS H 1 66 LYS HB3 10.000 . 3.580 3.060 2.903 3.251 . 0 0 "[ . 1]" 1
152 1 66 LYS H 1 66 LYS QD 10.000 . 5.480 4.461 3.714 4.991 . 0 0 "[ . 1]" 1
153 1 66 LYS HA 1 66 LYS QE 10.000 . 5.730 4.318 3.873 4.964 . 0 0 "[ . 1]" 1
154 1 69 ASP H 1 69 ASP HB2 10.000 . 3.710 3.300 2.581 3.727 0.017 9 0 "[ . 1]" 1
155 1 69 ASP H 1 69 ASP HB3 10.000 . 3.710 2.712 2.425 3.131 . 0 0 "[ . 1]" 1
156 1 70 ILE H 1 70 ILE HB 10.000 . 3.110 2.881 2.632 3.281 0.171 3 0 "[ . 1]" 1
157 1 70 ILE HA 1 70 ILE MD 10.000 . 4.610 3.706 3.561 3.865 . 0 0 "[ . 1]" 1
158 1 71 THR H 1 71 THR HB 10.000 . 3.330 2.579 2.433 2.777 . 0 0 "[ . 1]" 1
159 1 72 THR H 1 72 THR MG 10.000 . 4.740 3.283 2.285 4.078 . 0 0 "[ . 1]" 1
160 1 74 ASP H 1 74 ASP HB2 10.000 . 3.800 3.151 2.575 3.573 . 0 0 "[ . 1]" 1
161 1 74 ASP H 1 74 ASP HB3 10.000 . 3.800 3.250 2.329 3.982 0.182 5 0 "[ . 1]" 1
162 1 74 ASP HA 1 74 ASP QB 10.000 . 2.750 2.375 2.164 2.525 . 0 0 "[ . 1]" 1
163 1 77 LYS H 1 77 LYS QB 10.000 . 3.830 2.611 2.158 3.107 . 0 0 "[ . 1]" 1
164 1 77 LYS H 1 77 LYS QG 10.000 . 5.110 2.559 2.053 3.890 . 0 0 "[ . 1]" 1
165 1 78 LEU H 1 78 LEU HG 10.000 . 3.830 2.668 2.218 3.210 . 0 0 "[ . 1]" 1
166 1 78 LEU HA 1 78 LEU HG 10.000 . 4.070 3.591 2.666 3.736 . 0 0 "[ . 1]" 1
167 1 78 LEU QD 1 96 PHE QE 10.000 . 10.220 2.868 2.023 3.621 . 0 0 "[ . 1]" 1
168 1 78 LEU QD 1 113 PHE QE 10.000 . 10.220 4.184 3.129 5.106 . 0 0 "[ . 1]" 1
169 1 79 LYS H 1 79 LYS QG 10.000 . 4.420 2.977 2.051 4.032 . 0 0 "[ . 1]" 1
170 1 81 THR H 1 81 THR HB 10.000 . 3.080 2.729 2.479 3.097 0.017 6 0 "[ . 1]" 1
171 1 82 VAL H 1 82 VAL HB 10.000 . 3.140 2.523 2.339 3.191 0.051 9 0 "[ . 1]" 1
172 1 82 VAL QG 1 89 LEU QD 10.000 . 10.220 2.488 2.010 4.045 . 0 0 "[ . 1]" 1
173 1 83 HIS H 1 83 HIS HA 10.000 . 2.970 2.927 2.901 2.965 . 0 0 "[ . 1]" 1
174 1 83 HIS H 1 83 HIS HB2 10.000 . 3.780 3.716 3.285 3.887 0.107 3 0 "[ . 1]" 1
175 1 83 HIS H 1 83 HIS QB 10.000 . 3.480 3.047 2.555 3.266 . 0 0 "[ . 1]" 1
176 1 83 HIS H 1 83 HIS HB3 10.000 . 3.780 3.240 2.663 3.510 . 0 0 "[ . 1]" 1
177 1 84 LEU H 1 84 LEU HB2 10.000 . 3.190 2.798 2.129 3.143 . 0 0 "[ . 1]" 1
178 1 84 LEU H 1 84 LEU HB3 10.000 . 3.190 2.662 2.316 3.371 0.181 5 0 "[ . 1]" 1
179 1 84 LEU H 1 84 LEU MD1 10.000 . 5.720 4.252 2.737 4.628 . 0 0 "[ . 1]" 1
180 1 84 LEU H 1 84 LEU QD 10.000 . 5.070 3.724 2.699 3.919 . 0 0 "[ . 1]" 1
181 1 84 LEU H 1 84 LEU MD2 10.000 . 5.720 4.218 4.062 4.433 . 0 0 "[ . 1]" 1
182 1 84 LEU H 1 84 LEU HG 10.000 . 4.520 4.497 4.176 4.670 0.150 8 0 "[ . 1]" 1
183 1 86 ASN H 1 86 ASN HA 10.000 . 2.870 2.565 2.211 2.910 0.040 3 0 "[ . 1]" 1
184 1 88 LYS H 1 88 LYS QD 10.000 . 5.880 4.523 4.134 5.131 . 0 0 "[ . 1]" 1
185 1 88 LYS H 1 88 LYS QE 10.000 . 6.380 5.140 4.237 5.670 . 0 0 "[ . 1]" 1
186 1 88 LYS H 1 88 LYS HG2 10.000 . 5.500 3.182 2.438 4.527 . 0 0 "[ . 1]" 1
187 1 88 LYS H 1 88 LYS QG 10.000 . 4.690 2.902 2.400 4.160 . 0 0 "[ . 1]" 1
188 1 88 LYS H 1 88 LYS HG3 10.000 . 5.500 3.668 3.168 4.851 . 0 0 "[ . 1]" 1
189 1 88 LYS HA 1 88 LYS QG 10.000 . 3.600 3.050 2.398 3.371 . 0 0 "[ . 1]" 1
190 1 89 LEU H 1 89 LEU HG 10.000 . 4.540 3.858 2.325 4.460 . 0 0 "[ . 1]" 1
191 1 90 VAL H 1 90 VAL HB 10.000 . 3.300 2.853 2.554 3.343 0.043 1 0 "[ . 1]" 1
192 1 92 LYS H 1 92 LYS HB2 10.000 . 3.730 3.041 2.614 3.491 . 0 0 "[ . 1]" 1
193 1 92 LYS H 1 92 LYS QB 10.000 . 3.400 2.758 2.542 3.001 . 0 0 "[ . 1]" 1
194 1 92 LYS H 1 92 LYS HB3 10.000 . 3.730 3.412 2.856 3.859 0.129 10 0 "[ . 1]" 1
195 1 94 GLU H 1 94 GLU HB2 10.000 . 4.010 2.568 2.338 3.587 . 0 0 "[ . 1]" 1
196 1 94 GLU H 1 94 GLU QB 10.000 . 3.710 2.320 2.149 2.463 . 0 0 "[ . 1]" 1
197 1 94 GLU H 1 94 GLU HB3 10.000 . 4.010 3.052 2.403 3.617 . 0 0 "[ . 1]" 1
198 1 95 LYS H 1 95 LYS HB2 10.000 . 3.760 2.884 2.283 3.853 0.093 3 0 "[ . 1]" 1
199 1 95 LYS H 1 95 LYS HB3 10.000 . 3.760 3.424 2.459 3.808 0.048 9 0 "[ . 1]" 1
200 1 95 LYS HA 1 95 LYS QG 10.000 . 3.820 2.543 2.185 3.493 . 0 0 "[ . 1]" 1
201 1 96 PHE H 1 96 PHE HB2 10.000 . 4.080 2.851 2.495 3.932 . 0 0 "[ . 1]" 1
202 1 96 PHE H 1 96 PHE HB3 10.000 . 4.080 2.649 2.392 3.259 . 0 0 "[ . 1]" 1
203 1 98 HIS H 1 98 HIS HB2 10.000 . 3.560 3.223 2.751 3.604 0.044 4 0 "[ . 1]" 1
204 1 98 HIS H 1 98 HIS QB 10.000 . 3.370 2.644 2.274 3.098 . 0 0 "[ . 1]" 1
205 1 98 HIS H 1 98 HIS HB3 10.000 . 3.560 2.910 2.353 3.573 0.013 5 0 "[ . 1]" 1
206 1 99 GLU H 1 99 GLU HB2 10.000 . 3.860 3.147 2.511 3.885 0.025 8 0 "[ . 1]" 1
207 1 99 GLU H 1 99 GLU QB 10.000 . 3.620 2.641 2.403 3.080 . 0 0 "[ . 1]" 1
208 1 99 GLU H 1 99 GLU HB3 10.000 . 3.860 3.069 2.521 3.878 0.018 5 0 "[ . 1]" 1
209 1 99 GLU H 1 99 GLU HG2 10.000 . 5.410 4.103 2.397 4.761 . 0 0 "[ . 1]" 1
210 1 99 GLU H 1 99 GLU HG3 10.000 . 5.410 4.128 2.511 5.062 . 0 0 "[ . 1]" 1
211 1 100 GLN H 1 100 GLN QG 10.000 . 4.450 3.451 2.394 4.129 . 0 0 "[ . 1]" 1
212 1 100 GLN HA 1 100 GLN QE 10.000 . 4.690 3.253 1.988 4.099 . 0 0 "[ . 1]" 1
213 1 100 GLN HA 1 100 GLN HG2 10.000 . 4.200 3.546 3.240 3.698 . 0 0 "[ . 1]" 1
214 1 100 GLN HA 1 100 GLN QG 10.000 . 3.760 2.697 2.239 3.389 . 0 0 "[ . 1]" 1
215 1 100 GLN HA 1 100 GLN HG3 10.000 . 4.200 2.961 2.265 3.992 . 0 0 "[ . 1]" 1
216 1 101 GLU H 1 101 GLU HA 10.000 . 2.900 2.968 2.940 2.983 0.083 9 0 "[ . 1]" 1
217 1 102 VAL H 1 102 VAL HB 10.000 . 2.870 2.557 2.435 2.776 . 0 0 "[ . 1]" 1
218 1 103 LYS H 1 103 LYS HA 10.000 . 2.760 2.909 2.859 2.950 0.190 8 0 "[ . 1]" 1
219 1 103 LYS H 1 103 LYS QD 10.000 . 4.950 4.261 3.324 4.535 . 0 0 "[ . 1]" 1
220 1 105 ASN H 1 105 ASN HB2 10.000 . 4.070 3.275 2.558 3.907 . 0 0 "[ . 1]" 1
221 1 105 ASN H 1 105 ASN QB 10.000 . 3.670 2.802 2.516 3.092 . 0 0 "[ . 1]" 1
222 1 105 ASN H 1 105 ASN HB3 10.000 . 4.070 3.374 2.834 3.889 . 0 0 "[ . 1]" 1
223 1 106 GLU H 1 106 GLU HB2 10.000 . 3.820 3.363 2.913 3.942 0.122 7 0 "[ . 1]" 1
224 1 106 GLU H 1 106 GLU QB 10.000 . 3.530 2.797 2.435 3.183 . 0 0 "[ . 1]" 1
225 1 106 GLU H 1 106 GLU HB3 10.000 . 3.820 2.995 2.610 3.360 . 0 0 "[ . 1]" 1
226 1 107 MET H 1 107 MET HB2 10.000 . 3.610 3.159 2.551 3.771 0.161 6 0 "[ . 1]" 1
227 1 107 MET H 1 107 MET HB3 10.000 . 3.610 2.820 2.389 3.660 0.050 7 0 "[ . 1]" 1
228 1 108 VAL H 1 108 VAL HB 10.000 . 3.140 2.692 2.469 3.230 0.090 10 0 "[ . 1]" 1
229 1 109 GLU H 1 109 GLU HG2 10.000 . 4.200 3.381 2.322 3.961 . 0 0 "[ . 1]" 1
230 1 109 GLU H 1 109 GLU QG 10.000 . 3.670 2.601 2.262 2.863 . 0 0 "[ . 1]" 1
231 1 109 GLU H 1 109 GLU HG3 10.000 . 4.200 2.907 2.705 3.250 . 0 0 "[ . 1]" 1
232 1 110 THR H 1 110 THR HB 10.000 . 3.240 2.811 2.454 3.375 0.135 5 0 "[ . 1]" 1
233 1 111 ILE H 1 111 ILE HA 10.000 . 2.970 2.963 2.900 2.987 0.017 6 0 "[ . 1]" 1
234 1 111 ILE H 1 111 ILE HB 10.000 . 3.760 2.988 2.648 3.720 . 0 0 "[ . 1]" 1
235 1 112 THR H 1 112 THR HB 10.000 . 3.210 2.804 2.479 3.100 . 0 0 "[ . 1]" 1
236 1 113 PHE H 1 113 PHE HB2 10.000 . 3.730 3.328 3.134 3.492 . 0 0 "[ . 1]" 1
237 1 113 PHE H 1 113 PHE QB 10.000 . 3.550 2.620 2.386 2.829 . 0 0 "[ . 1]" 1
238 1 113 PHE H 1 113 PHE HB3 10.000 . 3.730 2.744 2.473 2.990 . 0 0 "[ . 1]" 1
239 1 115 GLY H 1 115 GLY QA 10.000 . 2.650 2.335 2.218 2.475 . 0 0 "[ . 1]" 1
240 1 116 VAL H 1 116 VAL HB 10.000 . 3.020 2.652 2.599 2.704 . 0 0 "[ . 1]" 1
241 1 117 THR H 1 117 THR HB 10.000 . 2.870 2.635 2.507 2.924 0.054 3 0 "[ . 1]" 1
242 1 118 LEU H 1 118 LEU HA 10.000 . 2.880 2.963 2.919 2.989 0.109 9 0 "[ . 1]" 1
243 1 118 LEU H 1 118 LEU HB2 10.000 . 3.750 2.819 2.514 3.921 0.171 1 0 "[ . 1]" 1
244 1 118 LEU H 1 118 LEU QB 10.000 . 3.470 2.688 2.473 3.123 . 0 0 "[ . 1]" 1
245 1 118 LEU H 1 118 LEU HB3 10.000 . 3.750 3.716 3.280 3.851 0.101 5 0 "[ . 1]" 1
246 1 118 LEU H 1 118 LEU HG 10.000 . 5.130 3.970 3.837 4.234 . 0 0 "[ . 1]" 1
247 1 118 LEU HA 1 118 LEU HG 10.000 . 4.170 2.876 2.578 4.228 0.058 1 0 "[ . 1]" 1
248 1 119 ILE H 1 119 ILE HB 10.000 . 3.820 3.762 3.320 3.921 0.101 10 0 "[ . 1]" 1
249 1 119 ILE H 1 119 ILE MD 10.000 . 4.920 3.851 3.633 4.110 . 0 0 "[ . 1]" 1
250 1 119 ILE HA 1 119 ILE MD 10.000 . 4.400 3.589 3.373 3.699 . 0 0 "[ . 1]" 1
251 1 121 ARG H 1 121 ARG HG2 10.000 . 4.910 3.955 2.416 4.734 . 0 0 "[ . 1]" 1
252 1 121 ARG H 1 121 ARG QG 10.000 . 4.570 3.194 2.387 4.152 . 0 0 "[ . 1]" 1
253 1 121 ARG H 1 121 ARG HG3 10.000 . 4.910 3.561 3.028 4.748 . 0 0 "[ . 1]" 1
254 1 121 ARG HA 1 121 ARG HG2 10.000 . 4.230 3.126 2.504 3.746 . 0 0 "[ . 1]" 1
255 1 121 ARG HA 1 121 ARG QG 10.000 . 3.970 2.603 2.308 3.369 . 0 0 "[ . 1]" 1
256 1 121 ARG HA 1 121 ARG HG3 10.000 . 4.230 3.010 2.361 3.865 . 0 0 "[ . 1]" 1
257 1 122 SER H 1 122 SER HB2 10.000 . 4.110 2.786 2.607 3.160 . 0 0 "[ . 1]" 1
258 1 122 SER H 1 122 SER QB 10.000 . 3.850 2.671 2.534 2.831 . 0 0 "[ . 1]" 1
259 1 122 SER H 1 122 SER HB3 10.000 . 4.110 3.709 2.668 3.895 . 0 0 "[ . 1]" 1
260 1 123 LYS H 1 123 LYS HB2 10.000 . 3.730 2.801 2.485 3.209 . 0 0 "[ . 1]" 1
261 1 123 LYS H 1 123 LYS HB3 10.000 . 3.730 3.196 2.594 3.739 0.009 1 0 "[ . 1]" 1
262 1 123 LYS HA 1 123 LYS QZ 10.000 . 6.440 4.472 3.014 5.519 . 0 0 "[ . 1]" 1
263 1 124 ARG H 1 124 ARG HA 10.000 . 2.790 2.824 2.788 2.844 0.054 9 0 "[ . 1]" 1
264 1 124 ARG H 1 124 ARG HB2 10.000 . 3.140 2.321 2.245 2.457 . 0 0 "[ . 1]" 1
265 1 124 ARG H 1 124 ARG HB3 10.000 . 3.140 2.645 2.459 2.738 . 0 0 "[ . 1]" 1
266 1 124 ARG H 1 124 ARG HG2 10.000 . 4.380 4.452 4.409 4.478 0.098 1 0 "[ . 1]" 1
267 1 124 ARG H 1 124 ARG QG 10.000 . 4.250 3.888 3.849 3.929 . 0 0 "[ . 1]" 1
268 1 124 ARG H 1 124 ARG HG3 10.000 . 4.380 4.288 4.200 4.411 0.031 6 0 "[ . 1]" 1
269 1 124 ARG HA 1 124 ARG HG2 10.000 . 4.140 2.801 2.511 3.212 . 0 0 "[ . 1]" 1
270 1 124 ARG HA 1 124 ARG QG 10.000 . 3.440 2.315 2.250 2.401 . 0 0 "[ . 1]" 1
271 1 124 ARG HA 1 124 ARG HG3 10.000 . 4.140 2.503 2.298 2.777 . 0 0 "[ . 1]" 1
272 1 124 ARG QB 1 124 ARG HE 10.000 . 4.440 2.395 2.156 2.734 . 0 0 "[ . 1]" 1
273 1 124 ARG HB2 1 124 ARG HE 10.000 . 4.880 2.857 2.190 3.811 . 0 0 "[ . 1]" 1
274 1 124 ARG HB3 1 124 ARG HE 10.000 . 4.880 2.919 2.223 3.606 . 0 0 "[ . 1]" 1
275 1 125 VAL H 1 125 VAL HB 10.000 . 3.050 2.695 2.570 3.108 0.058 8 0 "[ . 1]" 1
276 1 125 VAL H 1 125 VAL MG1 10.000 . 4.560 3.696 2.218 3.903 . 0 0 "[ . 1]" 1
277 1 125 VAL H 1 125 VAL QG 10.000 . 4.120 2.750 2.205 3.051 . 0 0 "[ . 1]" 1
278 1 125 VAL H 1 125 VAL MG2 10.000 . 4.560 2.991 2.746 3.906 . 0 0 "[ . 1]" 1
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