NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
624009 |
5uzl   |
30256 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5uzl
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 303
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 106.070
_Distance_constraint_stats_list.Viol_max 0.196
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0271
_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 VAL 0.019 0.009 5 0 "[ . 1 . 2]"
1 3 ASP 0.026 0.010 5 0 "[ . 1 . 2]"
1 4 VAL 0.247 0.101 20 0 "[ . 1 . 2]"
1 5 ARG 0.318 0.101 20 0 "[ . 1 . 2]"
1 6 TYR 0.144 0.052 18 0 "[ . 1 . 2]"
1 7 THR 0.129 0.052 18 0 "[ . 1 . 2]"
1 8 TYR 0.077 0.052 11 0 "[ . 1 . 2]"
1 9 ARG 0.025 0.016 2 0 "[ . 1 . 2]"
1 10 PRO 2.655 0.100 18 0 "[ . 1 . 2]"
1 11 SER 2.809 0.100 18 0 "[ . 1 . 2]"
1 12 VAL 0.297 0.180 15 0 "[ . 1 . 2]"
1 13 PRO 0.314 0.180 15 0 "[ . 1 . 2]"
1 14 ALA 0.064 0.012 15 0 "[ . 1 . 2]"
1 15 HIS 0.073 0.057 12 0 "[ . 1 . 2]"
1 16 ARG 0.029 0.006 11 0 "[ . 1 . 2]"
1 17 ARG 0.048 0.022 10 0 "[ . 1 . 2]"
1 18 VAL 0.022 0.022 10 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.009 0.006 11 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PRO 1.156 0.196 16 0 "[ . 1 . 2]"
1 23 LEU 1.227 0.196 16 0 "[ . 1 . 2]"
1 24 SER 0.001 0.001 15 0 "[ . 1 . 2]"
1 25 SER 0.095 0.011 14 0 "[ . 1 . 2]"
1 26 ASP 0.079 0.033 14 0 "[ . 1 . 2]"
1 27 ALA 0.272 0.062 11 0 "[ . 1 . 2]"
1 28 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 18 0 "[ . 1 . 2]"
1 30 LYS 0.244 0.062 11 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 6 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 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 2 VAL H 1 3 ASP HA . . 5.500 5.294 4.664 5.500 . 16 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 16 ARG HA . . 4.140 3.636 2.413 4.145 0.005 11 0 "[ . 1 . 2]" 1
3 1 2 VAL H 1 16 ARG HB2 . . 5.500 4.282 1.952 5.501 0.001 19 0 "[ . 1 . 2]" 1
4 1 2 VAL H 1 16 ARG QB . . 4.700 3.656 1.941 4.698 . 0 0 "[ . 1 . 2]" 1
5 1 2 VAL H 1 16 ARG HB3 . . 5.500 4.336 2.496 5.351 . 0 0 "[ . 1 . 2]" 1
6 1 2 VAL HA 1 3 ASP H . . 3.160 2.401 2.140 3.169 0.009 5 0 "[ . 1 . 2]" 1
7 1 2 VAL HB 1 3 ASP H . . 4.800 4.097 1.956 4.492 . 0 0 "[ . 1 . 2]" 1
8 1 2 VAL MG1 1 3 ASP H . . 5.500 3.610 2.222 4.360 . 0 0 "[ . 1 . 2]" 1
9 1 3 ASP H 1 3 ASP HB2 . . 4.130 2.975 2.249 3.993 . 0 0 "[ . 1 . 2]" 1
10 1 3 ASP H 1 3 ASP QB . . 3.610 2.715 2.177 3.327 . 0 0 "[ . 1 . 2]" 1
11 1 3 ASP H 1 3 ASP HB3 . . 4.130 3.357 2.527 4.040 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP H 1 4 VAL H . . 5.500 4.067 2.726 4.557 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASP HA 1 4 VAL H . . 3.010 2.417 2.149 2.697 . 0 0 "[ . 1 . 2]" 1
14 1 3 ASP HA 1 5 ARG H . . 5.500 4.151 3.338 5.510 0.010 5 0 "[ . 1 . 2]" 1
15 1 3 ASP HB2 1 4 VAL H . . 5.500 3.925 2.334 4.664 . 0 0 "[ . 1 . 2]" 1
16 1 3 ASP HB3 1 4 VAL H . . 5.500 3.467 1.978 4.627 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL H 1 4 VAL HB . . 3.840 3.275 2.672 3.849 0.009 2 0 "[ . 1 . 2]" 1
18 1 4 VAL H 1 5 ARG H . . 4.160 2.791 2.017 4.164 0.004 5 0 "[ . 1 . 2]" 1
19 1 4 VAL HA 1 5 ARG H . . 3.070 2.865 2.141 3.171 0.101 20 0 "[ . 1 . 2]" 1
20 1 4 VAL HA 1 6 TYR H . . 5.500 5.083 3.431 5.503 0.003 19 0 "[ . 1 . 2]" 1
21 1 4 VAL HB 1 5 ARG H . . 4.910 4.368 3.746 4.501 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL MG1 1 5 ARG H . . 5.500 3.944 3.072 4.372 . 0 0 "[ . 1 . 2]" 1
23 1 4 VAL MG2 1 5 ARG H . . 5.500 3.714 2.727 4.197 . 0 0 "[ . 1 . 2]" 1
24 1 5 ARG H 1 5 ARG HB2 . . 4.060 2.919 2.235 3.908 . 0 0 "[ . 1 . 2]" 1
25 1 5 ARG H 1 5 ARG QB . . 3.330 2.716 2.210 3.325 . 0 0 "[ . 1 . 2]" 1
26 1 5 ARG H 1 5 ARG HB3 . . 4.060 3.518 2.699 4.054 . 0 0 "[ . 1 . 2]" 1
27 1 5 ARG H 1 5 ARG HE . . 5.500 5.004 3.281 5.502 0.002 13 0 "[ . 1 . 2]" 1
28 1 5 ARG H 1 5 ARG HG2 . . 5.280 3.971 2.556 4.881 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG H 1 5 ARG QG . . 4.540 3.308 2.050 4.212 . 0 0 "[ . 1 . 2]" 1
30 1 5 ARG H 1 5 ARG HG3 . . 5.280 3.674 2.062 4.665 . 0 0 "[ . 1 . 2]" 1
31 1 5 ARG H 1 6 TYR H . . 4.410 3.803 2.626 4.409 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG HA 1 5 ARG QG . . 3.730 2.545 2.104 3.401 . 0 0 "[ . 1 . 2]" 1
33 1 5 ARG HA 1 6 TYR H . . 2.870 2.277 2.140 2.901 0.031 18 0 "[ . 1 . 2]" 1
34 1 5 ARG HA 1 6 TYR HA . . 4.900 4.445 4.347 4.790 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG HA 1 6 TYR HD1 . . 5.430 4.183 3.735 4.740 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG HA 1 6 TYR HE1 . . 5.500 5.304 4.826 5.512 0.012 18 0 "[ . 1 . 2]" 1
37 1 5 ARG QB 1 5 ARG HE . . 4.700 2.750 1.935 4.398 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG HB2 1 5 ARG HE . . 5.500 3.206 2.030 5.174 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HB2 1 6 TYR H . . 5.380 4.393 3.744 4.610 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG HB3 1 5 ARG HE . . 5.500 3.469 1.954 4.896 . 0 0 "[ . 1 . 2]" 1
41 1 5 ARG HB3 1 6 TYR H . . 5.380 4.037 3.537 4.657 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HG2 1 6 TYR H . . 5.500 4.814 3.586 5.515 0.015 18 0 "[ . 1 . 2]" 1
43 1 5 ARG HG3 1 6 TYR H . . 5.500 4.641 3.042 5.500 . 0 0 "[ . 1 . 2]" 1
44 1 6 TYR H 1 6 TYR HB2 . . 4.040 3.786 3.577 3.941 . 0 0 "[ . 1 . 2]" 1
45 1 6 TYR H 1 6 TYR HB3 . . 3.390 3.161 2.614 3.400 0.010 11 0 "[ . 1 . 2]" 1
46 1 6 TYR H 1 6 TYR HD1 . . 4.400 2.933 2.250 3.451 . 0 0 "[ . 1 . 2]" 1
47 1 6 TYR H 1 6 TYR HE1 . . 5.500 4.409 4.076 4.764 . 0 0 "[ . 1 . 2]" 1
48 1 6 TYR H 1 6 TYR HE2 . . 5.500 5.277 4.924 5.503 0.003 18 0 "[ . 1 . 2]" 1
49 1 6 TYR H 1 7 THR H . . 4.560 4.046 2.135 4.612 0.052 18 0 "[ . 1 . 2]" 1
50 1 6 TYR HA 1 6 TYR HD1 . . 4.800 4.206 4.098 4.308 . 0 0 "[ . 1 . 2]" 1
51 1 6 TYR HA 1 7 THR H . . 3.040 2.503 2.224 2.923 . 0 0 "[ . 1 . 2]" 1
52 1 6 TYR HA 1 7 THR HA . . 5.260 4.470 4.404 4.548 . 0 0 "[ . 1 . 2]" 1
53 1 6 TYR HB2 1 6 TYR HD2 . . 3.160 2.478 2.424 2.554 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR HB2 1 7 THR H . . 4.540 2.834 1.994 4.456 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR HB3 1 6 TYR HD1 . . 3.140 2.391 2.343 2.437 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HB3 1 7 THR H . . 4.750 3.913 3.447 4.647 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR HD2 1 7 THR H . . 4.810 3.660 2.996 4.790 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR HD2 1 7 THR HA . . 5.500 3.534 3.232 4.076 . 0 0 "[ . 1 . 2]" 1
59 1 6 TYR HE2 1 7 THR HA . . 5.500 5.107 4.823 5.503 0.003 10 0 "[ . 1 . 2]" 1
60 1 7 THR H 1 7 THR HB . . 3.800 3.540 3.205 3.801 0.001 3 0 "[ . 1 . 2]" 1
61 1 7 THR H 1 8 TYR H . . 3.920 2.230 2.085 2.460 . 0 0 "[ . 1 . 2]" 1
62 1 7 THR H 1 8 TYR HE2 . . 5.500 3.460 3.277 3.944 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR H 1 10 PRO HG3 . . 5.500 5.376 5.253 5.503 0.003 10 0 "[ . 1 . 2]" 1
64 1 7 THR HA 1 7 THR HB . . 2.880 2.707 2.465 2.884 0.004 5 0 "[ . 1 . 2]" 1
65 1 7 THR HA 1 8 TYR H . . 3.160 3.035 2.968 3.212 0.052 11 0 "[ . 1 . 2]" 1
66 1 7 THR HA 1 8 TYR HD2 . . 5.040 4.185 4.107 4.225 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR H 1 8 TYR HB2 . . 4.090 4.059 4.017 4.068 . 0 0 "[ . 1 . 2]" 1
68 1 8 TYR H 1 8 TYR HB3 . . 3.550 3.497 3.475 3.564 0.014 12 0 "[ . 1 . 2]" 1
69 1 8 TYR H 1 8 TYR HD2 . . 4.230 2.740 2.670 2.960 . 0 0 "[ . 1 . 2]" 1
70 1 8 TYR H 1 8 TYR HE2 . . 5.500 4.535 4.496 4.590 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR HA 1 8 TYR HD2 . . 4.190 4.004 3.999 4.034 . 0 0 "[ . 1 . 2]" 1
72 1 8 TYR HA 1 9 ARG H . . 3.220 2.712 2.677 2.726 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR HB2 1 8 TYR HD1 . . 2.920 2.319 2.313 2.343 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR HB2 1 8 TYR HE1 . . 4.860 4.622 4.618 4.634 . 0 0 "[ . 1 . 2]" 1
75 1 8 TYR HB2 1 9 ARG H . . 4.190 1.945 1.921 1.952 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR HB3 1 8 TYR HD2 . . 3.010 2.620 2.555 2.636 . 0 0 "[ . 1 . 2]" 1
77 1 8 TYR HB3 1 8 TYR HE2 . . 4.930 4.781 4.746 4.790 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR HB3 1 9 ARG H . . 4.260 3.501 3.465 3.510 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR HD1 1 9 ARG H . . 4.310 2.618 2.513 2.822 . 0 0 "[ . 1 . 2]" 1
80 1 8 TYR HD1 1 10 PRO HA . . 5.340 3.242 3.019 3.286 . 0 0 "[ . 1 . 2]" 1
81 1 8 TYR HD1 1 10 PRO HD3 . . 5.500 3.501 3.080 3.585 . 0 0 "[ . 1 . 2]" 1
82 1 8 TYR HD2 1 10 PRO HD3 . . 5.500 4.174 4.070 4.692 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR HE1 1 9 ARG H . . 5.500 4.870 4.776 5.181 . 0 0 "[ . 1 . 2]" 1
84 1 8 TYR HE1 1 10 PRO HA . . 4.660 2.196 2.052 2.592 . 0 0 "[ . 1 . 2]" 1
85 1 8 TYR HE1 1 10 PRO QB . . 4.560 2.361 1.987 2.431 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR HE1 1 10 PRO HD3 . . 5.500 3.818 3.592 3.864 . 0 0 "[ . 1 . 2]" 1
87 1 8 TYR HE1 1 10 PRO HG3 . . 5.190 4.384 3.923 4.469 . 0 0 "[ . 1 . 2]" 1
88 1 8 TYR HE2 1 10 PRO HD3 . . 5.500 4.441 4.320 5.047 . 0 0 "[ . 1 . 2]" 1
89 1 8 TYR HE2 1 10 PRO HG3 . . 5.500 4.572 4.417 5.348 . 0 0 "[ . 1 . 2]" 1
90 1 9 ARG H 1 9 ARG HB2 . . 4.090 2.803 2.340 3.654 . 0 0 "[ . 1 . 2]" 1
91 1 9 ARG H 1 9 ARG QB . . 3.390 2.507 2.308 2.985 . 0 0 "[ . 1 . 2]" 1
92 1 9 ARG H 1 9 ARG HB3 . . 4.090 3.172 2.601 3.697 . 0 0 "[ . 1 . 2]" 1
93 1 9 ARG H 1 9 ARG HG2 . . 5.000 3.922 1.950 4.782 . 0 0 "[ . 1 . 2]" 1
94 1 9 ARG H 1 9 ARG QG . . 4.260 3.311 1.911 4.115 . 0 0 "[ . 1 . 2]" 1
95 1 9 ARG H 1 9 ARG HG3 . . 5.000 3.728 2.712 4.701 . 0 0 "[ . 1 . 2]" 1
96 1 9 ARG H 1 10 PRO HD2 . . 5.200 4.308 4.304 4.327 . 0 0 "[ . 1 . 2]" 1
97 1 9 ARG H 1 10 PRO HD3 . . 5.070 3.702 3.695 3.731 . 0 0 "[ . 1 . 2]" 1
98 1 9 ARG HA 1 9 ARG HD2 . . 5.500 4.496 3.599 5.501 0.001 6 0 "[ . 1 . 2]" 1
99 1 9 ARG HA 1 9 ARG HD3 . . 5.500 4.162 2.143 5.516 0.016 2 0 "[ . 1 . 2]" 1
100 1 9 ARG HA 1 9 ARG QG . . 3.740 2.555 2.137 3.321 . 0 0 "[ . 1 . 2]" 1
101 1 9 ARG HA 1 10 PRO HD2 . . 2.840 1.979 1.972 1.981 . 0 0 "[ . 1 . 2]" 1
102 1 9 ARG HA 1 10 PRO HD3 . . 2.880 2.743 2.729 2.746 . 0 0 "[ . 1 . 2]" 1
103 1 9 ARG HA 1 10 PRO HG2 . . 5.500 4.148 4.144 4.149 . 0 0 "[ . 1 . 2]" 1
104 1 9 ARG HA 1 10 PRO HG3 . . 5.400 4.533 4.523 4.535 . 0 0 "[ . 1 . 2]" 1
105 1 9 ARG QB 1 10 PRO HD2 . . 4.110 3.969 3.760 4.115 0.005 18 0 "[ . 1 . 2]" 1
106 1 9 ARG QB 1 10 PRO HD3 . . 4.980 4.455 4.417 4.471 . 0 0 "[ . 1 . 2]" 1
107 1 9 ARG HG2 1 10 PRO HD2 . . 5.500 4.680 3.913 5.472 . 0 0 "[ . 1 . 2]" 1
108 1 9 ARG HG3 1 10 PRO HD2 . . 5.500 4.468 3.677 5.377 . 0 0 "[ . 1 . 2]" 1
109 1 10 PRO HA 1 11 SER H . . 2.400 2.291 2.150 2.367 . 0 0 "[ . 1 . 2]" 1
110 1 10 PRO HA 1 12 VAL H . . 5.020 4.514 4.009 5.024 0.004 3 0 "[ . 1 . 2]" 1
111 1 10 PRO QB 1 11 SER H . . 3.690 2.889 2.613 3.401 . 0 0 "[ . 1 . 2]" 1
112 1 10 PRO QB 1 12 VAL H . . 5.340 3.417 2.251 4.436 . 0 0 "[ . 1 . 2]" 1
113 1 10 PRO HB2 1 11 SER H . . 4.380 3.029 2.698 3.643 . 0 0 "[ . 1 . 2]" 1
114 1 10 PRO HB3 1 11 SER H . . 4.380 3.700 3.497 4.076 . 0 0 "[ . 1 . 2]" 1
115 1 10 PRO HD2 1 11 SER H . . 5.500 5.584 5.554 5.600 0.100 18 0 "[ . 1 . 2]" 1
116 1 10 PRO HD3 1 11 SER H . . 5.500 5.548 5.542 5.552 0.052 6 0 "[ . 1 . 2]" 1
117 1 10 PRO HG2 1 11 SER H . . 5.040 4.665 4.485 4.997 . 0 0 "[ . 1 . 2]" 1
118 1 11 SER H 1 11 SER HB2 . . 3.520 2.531 2.195 3.510 . 0 0 "[ . 1 . 2]" 1
119 1 11 SER H 1 11 SER QB . . 2.860 2.353 2.173 2.864 0.004 15 0 "[ . 1 . 2]" 1
120 1 11 SER H 1 11 SER HB3 . . 3.520 3.127 2.286 3.551 0.031 3 0 "[ . 1 . 2]" 1
121 1 11 SER H 1 12 VAL H . . 4.250 2.996 2.162 4.024 . 0 0 "[ . 1 . 2]" 1
122 1 11 SER HA 1 12 VAL H . . 3.550 3.211 2.312 3.569 0.019 15 0 "[ . 1 . 2]" 1
123 1 11 SER QB 1 12 VAL H . . 3.940 2.906 1.939 3.940 . 0 0 "[ . 1 . 2]" 1
124 1 12 VAL H 1 12 VAL HB . . 4.010 3.641 2.903 3.894 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL H 1 12 VAL MG2 . . 4.000 2.277 1.932 3.044 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL H 1 13 PRO HD2 . . 5.500 4.745 4.286 4.812 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL H 1 13 PRO HD3 . . 5.500 4.779 3.638 5.054 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL HA 1 13 PRO QD . . 2.900 2.054 1.881 2.093 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL HB 1 13 PRO QD . . 4.120 2.378 1.973 4.300 0.180 15 0 "[ . 1 . 2]" 1
130 1 12 VAL MG1 1 13 PRO QD . . 4.020 2.726 1.892 3.490 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL MG2 1 13 PRO QD . . 5.350 3.538 3.286 4.112 . 0 0 "[ . 1 . 2]" 1
132 1 13 PRO HA 1 14 ALA H . . 2.780 2.308 2.151 2.383 . 0 0 "[ . 1 . 2]" 1
133 1 13 PRO QB 1 14 ALA H . . 3.780 2.824 2.579 3.374 . 0 0 "[ . 1 . 2]" 1
134 1 13 PRO HB2 1 14 ALA H . . 4.380 2.951 2.658 3.609 . 0 0 "[ . 1 . 2]" 1
135 1 13 PRO HB3 1 14 ALA H . . 4.380 3.652 3.477 4.053 . 0 0 "[ . 1 . 2]" 1
136 1 13 PRO QD 1 14 ALA H . . 4.960 4.962 4.953 4.972 0.012 15 0 "[ . 1 . 2]" 1
137 1 13 PRO HG2 1 15 HIS HA . . 5.000 4.874 4.250 5.057 0.057 12 0 "[ . 1 . 2]" 1
138 1 14 ALA MB 1 15 HIS H . . 4.490 2.688 2.418 2.937 . 0 0 "[ . 1 . 2]" 1
139 1 14 ALA MB 1 15 HIS HE1 . . 5.500 3.362 2.509 3.854 . 0 0 "[ . 1 . 2]" 1
140 1 15 HIS H 1 15 HIS QB . . 3.640 3.133 2.617 3.413 . 0 0 "[ . 1 . 2]" 1
141 1 15 HIS H 1 15 HIS HE1 . . 5.500 4.811 3.909 5.496 . 0 0 "[ . 1 . 2]" 1
142 1 15 HIS HA 1 16 ARG H . . 2.830 2.278 2.140 2.715 . 0 0 "[ . 1 . 2]" 1
143 1 15 HIS QB 1 15 HIS HE1 . . 4.620 4.494 4.370 4.607 . 0 0 "[ . 1 . 2]" 1
144 1 15 HIS QB 1 16 ARG H . . 3.760 2.819 1.932 3.375 . 0 0 "[ . 1 . 2]" 1
145 1 15 HIS HB2 1 16 ARG H . . 4.360 3.152 1.945 4.219 . 0 0 "[ . 1 . 2]" 1
146 1 15 HIS HB2 1 20 GLU H . . 5.500 4.598 3.811 5.503 0.003 10 0 "[ . 1 . 2]" 1
147 1 15 HIS HB3 1 16 ARG H . . 4.360 3.609 2.020 4.251 . 0 0 "[ . 1 . 2]" 1
148 1 15 HIS HB3 1 20 GLU H . . 5.500 4.865 3.747 5.455 . 0 0 "[ . 1 . 2]" 1
149 1 16 ARG H 1 16 ARG HB2 . . 3.950 3.465 2.565 3.905 . 0 0 "[ . 1 . 2]" 1
150 1 16 ARG H 1 16 ARG QB . . 3.250 2.884 2.413 3.249 . 0 0 "[ . 1 . 2]" 1
151 1 16 ARG H 1 16 ARG HB3 . . 3.950 3.254 2.623 3.855 . 0 0 "[ . 1 . 2]" 1
152 1 16 ARG H 1 16 ARG HG2 . . 5.370 2.933 1.954 4.707 . 0 0 "[ . 1 . 2]" 1
153 1 16 ARG H 1 16 ARG QG . . 4.620 2.559 1.937 4.164 . 0 0 "[ . 1 . 2]" 1
154 1 16 ARG H 1 16 ARG HG3 . . 5.370 3.171 2.263 4.642 . 0 0 "[ . 1 . 2]" 1
155 1 16 ARG H 1 20 GLU HB2 . . 4.660 4.129 3.217 4.659 . 0 0 "[ . 1 . 2]" 1
156 1 16 ARG H 1 20 GLU QB . . 3.980 3.461 3.057 3.927 . 0 0 "[ . 1 . 2]" 1
157 1 16 ARG H 1 20 GLU HB3 . . 4.660 3.775 3.158 4.514 . 0 0 "[ . 1 . 2]" 1
158 1 16 ARG H 1 20 GLU HG2 . . 5.500 4.392 2.446 5.506 0.006 11 0 "[ . 1 . 2]" 1
159 1 16 ARG H 1 20 GLU HG3 . . 5.500 4.663 3.394 5.499 . 0 0 "[ . 1 . 2]" 1
160 1 16 ARG H 1 22 PRO QD . . 5.030 4.985 4.699 5.032 0.002 10 0 "[ . 1 . 2]" 1
161 1 16 ARG HA 1 17 ARG H . . 2.800 2.784 2.621 2.806 0.006 10 0 "[ . 1 . 2]" 1
162 1 16 ARG HG2 1 17 ARG H . . 5.500 4.704 3.958 5.501 0.001 11 0 "[ . 1 . 2]" 1
163 1 16 ARG HG3 1 17 ARG H . . 5.500 4.544 3.990 5.429 . 0 0 "[ . 1 . 2]" 1
164 1 17 ARG H 1 17 ARG HB2 . . 3.730 2.833 2.699 3.127 . 0 0 "[ . 1 . 2]" 1
165 1 17 ARG H 1 17 ARG QB . . 3.250 2.745 2.639 2.960 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG H 1 17 ARG HB3 . . 3.730 3.707 3.537 3.745 0.015 10 0 "[ . 1 . 2]" 1
167 1 17 ARG H 1 17 ARG HD2 . . 5.500 5.114 4.682 5.500 . 4 0 "[ . 1 . 2]" 1
168 1 17 ARG H 1 17 ARG HD3 . . 5.500 5.212 4.532 5.500 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG H 1 17 ARG QG . . 4.510 3.832 3.582 4.319 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG H 1 18 VAL H . . 4.460 4.377 4.336 4.399 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG H 1 18 VAL HA . . 5.500 4.795 4.606 4.929 . 0 0 "[ . 1 . 2]" 1
172 1 17 ARG H 1 20 GLU QB . . 5.240 3.335 2.606 3.937 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG HA 1 17 ARG HD2 . . 5.360 3.377 2.002 4.619 . 0 0 "[ . 1 . 2]" 1
174 1 17 ARG HA 1 17 ARG QD . . 4.550 2.905 1.983 3.974 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG HA 1 17 ARG HD3 . . 5.360 3.432 2.035 4.463 . 0 0 "[ . 1 . 2]" 1
176 1 17 ARG HA 1 18 VAL H . . 2.940 2.581 2.516 2.703 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG QB 1 17 ARG QD . . 3.310 2.204 1.950 2.468 . 0 0 "[ . 1 . 2]" 1
178 1 17 ARG QB 1 18 VAL H . . 3.810 2.156 2.092 2.224 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG QB 1 19 ARG H . . 4.110 2.306 2.172 2.479 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG HB2 1 17 ARG HE . . 5.500 4.417 3.487 5.041 . 0 0 "[ . 1 . 2]" 1
181 1 17 ARG HB2 1 18 VAL H . . 4.490 3.652 3.597 3.710 . 0 0 "[ . 1 . 2]" 1
182 1 17 ARG HB2 1 18 VAL HA . . 5.500 5.420 5.288 5.522 0.022 10 0 "[ . 1 . 2]" 1
183 1 17 ARG HB3 1 17 ARG HE . . 5.500 3.924 2.833 5.008 . 0 0 "[ . 1 . 2]" 1
184 1 17 ARG HB3 1 18 VAL H . . 4.490 2.172 2.106 2.242 . 0 0 "[ . 1 . 2]" 1
185 1 17 ARG HB3 1 18 VAL HA . . 5.500 4.384 4.190 4.479 . 0 0 "[ . 1 . 2]" 1
186 1 18 VAL H 1 18 VAL HB . . 3.330 2.731 2.634 2.954 . 0 0 "[ . 1 . 2]" 1
187 1 18 VAL H 1 18 VAL MG1 . . 3.910 1.970 1.921 2.051 . 0 0 "[ . 1 . 2]" 1
188 1 18 VAL H 1 19 ARG H . . 4.110 2.275 1.934 2.424 . 0 0 "[ . 1 . 2]" 1
189 1 18 VAL H 1 20 GLU QB . . 5.340 4.567 4.291 4.799 . 0 0 "[ . 1 . 2]" 1
190 1 18 VAL HA 1 19 ARG QB . . 5.340 5.226 4.936 5.339 . 0 0 "[ . 1 . 2]" 1
191 1 18 VAL HA 1 19 ARG QG . . 5.080 4.582 4.201 4.950 . 0 0 "[ . 1 . 2]" 1
192 1 18 VAL HA 1 20 GLU H . . 5.500 4.637 3.878 5.100 . 0 0 "[ . 1 . 2]" 1
193 1 18 VAL HB 1 19 ARG H . . 4.200 4.048 3.984 4.118 . 0 0 "[ . 1 . 2]" 1
194 1 18 VAL MG1 1 19 ARG H . . 4.640 2.196 1.956 2.367 . 0 0 "[ . 1 . 2]" 1
195 1 18 VAL MG1 1 19 ARG QD . . 5.340 3.466 2.441 4.110 . 0 0 "[ . 1 . 2]" 1
196 1 18 VAL MG1 1 19 ARG HE . . 5.500 3.389 2.095 4.580 . 0 0 "[ . 1 . 2]" 1
197 1 19 ARG H 1 19 ARG QB . . 3.320 2.722 2.377 3.236 . 0 0 "[ . 1 . 2]" 1
198 1 19 ARG H 1 19 ARG QG . . 3.620 2.999 2.132 3.463 . 0 0 "[ . 1 . 2]" 1
199 1 19 ARG H 1 20 GLU QB . . 5.220 3.748 3.528 4.073 . 0 0 "[ . 1 . 2]" 1
200 1 19 ARG HA 1 19 ARG HD2 . . 5.500 4.482 3.569 5.499 . 0 0 "[ . 1 . 2]" 1
201 1 19 ARG HA 1 19 ARG QD . . 4.840 3.756 2.047 4.408 . 0 0 "[ . 1 . 2]" 1
202 1 19 ARG HA 1 19 ARG HD3 . . 5.500 4.145 2.059 4.800 . 0 0 "[ . 1 . 2]" 1
203 1 19 ARG HA 1 20 GLU H . . 2.910 2.529 2.314 2.887 . 0 0 "[ . 1 . 2]" 1
204 1 19 ARG HB2 1 19 ARG HE . . 5.500 3.927 2.198 4.611 . 0 0 "[ . 1 . 2]" 1
205 1 19 ARG HB3 1 19 ARG HE . . 5.500 3.960 2.237 4.952 . 0 0 "[ . 1 . 2]" 1
206 1 20 GLU H 1 20 GLU HB2 . . 3.890 2.808 2.222 3.587 . 0 0 "[ . 1 . 2]" 1
207 1 20 GLU H 1 20 GLU QB . . 3.230 2.542 2.152 2.731 . 0 0 "[ . 1 . 2]" 1
208 1 20 GLU H 1 20 GLU HB3 . . 3.890 3.057 2.456 3.670 . 0 0 "[ . 1 . 2]" 1
209 1 20 GLU H 1 20 GLU HG2 . . 5.500 4.568 3.323 5.083 . 0 0 "[ . 1 . 2]" 1
210 1 20 GLU H 1 20 GLU QG . . 4.680 3.992 2.268 4.322 . 0 0 "[ . 1 . 2]" 1
211 1 20 GLU H 1 20 GLU HG3 . . 5.500 4.491 2.309 5.057 . 0 0 "[ . 1 . 2]" 1
212 1 20 GLU HA 1 21 SER H . . 2.990 2.268 2.138 2.399 . 0 0 "[ . 1 . 2]" 1
213 1 20 GLU QB 1 22 PRO QD . . 4.630 2.870 2.218 3.468 . 0 0 "[ . 1 . 2]" 1
214 1 22 PRO HA 1 23 LEU H . . 2.870 2.492 2.199 2.643 . 0 0 "[ . 1 . 2]" 1
215 1 22 PRO QB 1 23 LEU H . . 4.020 2.795 2.039 3.972 . 0 0 "[ . 1 . 2]" 1
216 1 22 PRO QD 1 23 LEU H . . 4.950 4.734 4.251 5.006 0.056 15 0 "[ . 1 . 2]" 1
217 1 22 PRO QG 1 23 LEU H . . 4.830 4.168 3.745 4.554 . 0 0 "[ . 1 . 2]" 1
218 1 22 PRO HG2 1 23 LEU H . . 5.500 4.406 3.948 4.827 . 0 0 "[ . 1 . 2]" 1
219 1 22 PRO HG3 1 23 LEU H . . 5.500 5.146 4.653 5.696 0.196 16 0 "[ . 1 . 2]" 1
220 1 23 LEU H 1 23 LEU QB . . 2.980 2.276 2.213 2.363 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU H 1 23 LEU MD1 . . 5.500 3.846 3.611 4.054 . 0 0 "[ . 1 . 2]" 1
222 1 23 LEU H 1 23 LEU MD2 . . 5.500 2.544 1.917 4.208 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU HA 1 23 LEU MD1 . . 3.720 2.167 1.933 3.349 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU HA 1 23 LEU MD2 . . 4.120 3.021 2.698 3.771 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU HA 1 25 SER H . . 4.460 3.990 3.727 4.470 0.010 17 0 "[ . 1 . 2]" 1
226 1 23 LEU HA 1 26 ASP H . . 5.500 4.312 3.377 5.533 0.033 14 0 "[ . 1 . 2]" 1
227 1 23 LEU QB 1 24 SER H . . 3.710 2.361 2.047 2.672 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU QB 1 24 SER HA . . 4.680 3.890 3.730 4.323 . 0 0 "[ . 1 . 2]" 1
229 1 23 LEU QB 1 25 SER H . . 4.790 4.336 3.976 4.535 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU HB2 1 25 SER H . . 5.460 4.909 4.385 5.462 0.002 12 0 "[ . 1 . 2]" 1
231 1 23 LEU HB3 1 25 SER H . . 5.460 4.898 4.123 5.093 . 0 0 "[ . 1 . 2]" 1
232 1 23 LEU MD2 1 24 SER H . . 5.500 3.798 3.213 4.051 . 0 0 "[ . 1 . 2]" 1
233 1 24 SER H 1 24 SER HB2 . . 3.930 3.072 2.429 3.750 . 0 0 "[ . 1 . 2]" 1
234 1 24 SER H 1 24 SER QB . . 3.400 2.565 2.181 2.882 . 0 0 "[ . 1 . 2]" 1
235 1 24 SER H 1 24 SER HB3 . . 3.930 3.058 2.264 3.680 . 0 0 "[ . 1 . 2]" 1
236 1 24 SER HA 1 27 ALA H . . 3.960 3.135 2.863 3.627 . 0 0 "[ . 1 . 2]" 1
237 1 24 SER HA 1 27 ALA MB . . 5.500 2.313 1.918 3.458 . 0 0 "[ . 1 . 2]" 1
238 1 24 SER QB 1 25 SER H . . 4.140 3.411 2.813 4.052 . 0 0 "[ . 1 . 2]" 1
239 1 24 SER QB 1 27 ALA MB . . 5.340 3.184 2.506 3.640 . 0 0 "[ . 1 . 2]" 1
240 1 24 SER HB2 1 27 ALA H . . 5.500 4.993 4.235 5.468 . 0 0 "[ . 1 . 2]" 1
241 1 24 SER HB3 1 27 ALA H . . 5.500 5.090 4.157 5.501 0.001 15 0 "[ . 1 . 2]" 1
242 1 25 SER H 1 25 SER HA . . 2.880 2.825 2.758 2.891 0.011 14 0 "[ . 1 . 2]" 1
243 1 25 SER H 1 25 SER QB . . 3.420 2.315 2.054 2.901 . 0 0 "[ . 1 . 2]" 1
244 1 25 SER HA 1 28 ILE H . . 5.500 4.097 3.623 4.385 . 0 0 "[ . 1 . 2]" 1
245 1 25 SER HB2 1 26 ASP H . . 4.250 3.537 2.733 3.844 . 0 0 "[ . 1 . 2]" 1
246 1 25 SER HB2 1 27 ALA H . . 5.500 5.345 4.826 5.503 0.003 6 0 "[ . 1 . 2]" 1
247 1 25 SER HB3 1 26 ASP H . . 4.250 3.116 2.456 4.119 . 0 0 "[ . 1 . 2]" 1
248 1 25 SER HB3 1 27 ALA H . . 5.500 5.073 4.656 5.510 0.010 14 0 "[ . 1 . 2]" 1
249 1 26 ASP H 1 26 ASP HB2 . . 3.630 2.564 2.188 3.630 . 0 0 "[ . 1 . 2]" 1
250 1 26 ASP H 1 26 ASP QB . . 3.130 2.349 2.167 2.838 . 0 0 "[ . 1 . 2]" 1
251 1 26 ASP H 1 26 ASP HB3 . . 3.630 3.295 2.447 3.643 0.013 16 0 "[ . 1 . 2]" 1
252 1 26 ASP H 1 27 ALA H . . 3.910 2.365 2.213 2.673 . 0 0 "[ . 1 . 2]" 1
253 1 26 ASP HA 1 28 ILE H . . 5.220 3.657 3.547 3.866 . 0 0 "[ . 1 . 2]" 1
254 1 26 ASP HA 1 29 PHE H . . 4.870 3.733 3.555 3.854 . 0 0 "[ . 1 . 2]" 1
255 1 26 ASP QB 1 27 ALA H . . 3.960 3.019 2.808 3.639 . 0 0 "[ . 1 . 2]" 1
256 1 26 ASP QB 1 28 ILE H . . 5.340 4.592 4.487 4.809 . 0 0 "[ . 1 . 2]" 1
257 1 26 ASP HB2 1 27 ALA H . . 4.810 3.326 2.889 4.135 . 0 0 "[ . 1 . 2]" 1
258 1 26 ASP HB3 1 27 ALA H . . 4.810 3.724 2.945 4.191 . 0 0 "[ . 1 . 2]" 1
259 1 27 ALA H 1 27 ALA MB . . 3.650 2.128 2.023 2.234 . 0 0 "[ . 1 . 2]" 1
260 1 27 ALA H 1 28 ILE H . . 4.100 2.683 2.553 2.755 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA H 1 28 ILE QG . . 5.340 4.025 3.805 4.185 . 0 0 "[ . 1 . 2]" 1
262 1 27 ALA HA 1 28 ILE H . . 3.520 3.459 3.436 3.484 . 0 0 "[ . 1 . 2]" 1
263 1 27 ALA HA 1 30 LYS H . . 2.920 2.917 2.838 2.982 0.062 11 0 "[ . 1 . 2]" 1
264 1 27 ALA MB 1 28 ILE H . . 3.970 2.916 2.805 3.002 . 0 0 "[ . 1 . 2]" 1
265 1 28 ILE H 1 28 ILE HB . . 3.770 2.950 2.511 3.610 . 0 0 "[ . 1 . 2]" 1
266 1 28 ILE H 1 28 ILE MD . . 5.500 3.390 2.970 3.841 . 0 0 "[ . 1 . 2]" 1
267 1 28 ILE H 1 28 ILE HG12 . . 4.380 2.569 1.954 3.502 . 0 0 "[ . 1 . 2]" 1
268 1 28 ILE H 1 28 ILE QG . . 3.710 2.083 1.937 2.283 . 0 0 "[ . 1 . 2]" 1
269 1 28 ILE H 1 28 ILE HG13 . . 4.380 2.991 1.950 3.626 . 0 0 "[ . 1 . 2]" 1
270 1 28 ILE H 1 29 PHE H . . 3.880 2.734 2.567 2.817 . 0 0 "[ . 1 . 2]" 1
271 1 28 ILE HA 1 29 PHE H . . 3.560 3.499 3.462 3.534 . 0 0 "[ . 1 . 2]" 1
272 1 28 ILE HA 1 30 LYS H . . 5.500 4.209 3.926 4.498 . 0 0 "[ . 1 . 2]" 1
273 1 28 ILE HA 1 31 GLN H . . 5.320 4.292 3.724 4.685 . 0 0 "[ . 1 . 2]" 1
274 1 28 ILE HB 1 29 PHE H . . 4.190 3.198 2.623 3.957 . 0 0 "[ . 1 . 2]" 1
275 1 28 ILE QG 1 29 PHE H . . 4.290 3.407 2.023 4.136 . 0 0 "[ . 1 . 2]" 1
276 1 28 ILE MG 1 29 PHE H . . 4.500 3.699 3.475 3.893 . 0 0 "[ . 1 . 2]" 1
277 1 28 ILE MG 1 30 LYS H . . 5.500 5.006 4.836 5.053 . 0 0 "[ . 1 . 2]" 1
278 1 29 PHE H 1 29 PHE HB2 . . 3.640 2.539 2.378 2.730 . 0 0 "[ . 1 . 2]" 1
279 1 29 PHE H 1 29 PHE HB3 . . 3.370 2.730 2.556 2.843 . 0 0 "[ . 1 . 2]" 1
280 1 29 PHE H 1 29 PHE HD1 . . 5.460 4.649 4.428 4.915 . 0 0 "[ . 1 . 2]" 1
281 1 29 PHE H 1 29 PHE HD2 . . 5.500 4.853 4.609 5.000 . 0 0 "[ . 1 . 2]" 1
282 1 29 PHE HA 1 29 PHE HD1 . . 4.350 3.185 2.966 3.390 . 0 0 "[ . 1 . 2]" 1
283 1 29 PHE HA 1 29 PHE HD2 . . 4.770 3.730 3.535 3.943 . 0 0 "[ . 1 . 2]" 1
284 1 29 PHE HA 1 29 PHE HE1 . . 5.500 4.965 4.836 5.091 . 0 0 "[ . 1 . 2]" 1
285 1 29 PHE HA 1 29 PHE HE2 . . 5.500 5.332 5.188 5.499 . 0 0 "[ . 1 . 2]" 1
286 1 29 PHE HA 1 30 LYS H . . 3.560 3.410 3.324 3.474 . 0 0 "[ . 1 . 2]" 1
287 1 29 PHE HB2 1 29 PHE HD1 . . 3.670 2.373 2.321 2.433 . 0 0 "[ . 1 . 2]" 1
288 1 29 PHE HB2 1 30 LYS H . . 4.450 3.980 3.805 4.151 . 0 0 "[ . 1 . 2]" 1
289 1 29 PHE HB3 1 29 PHE HD2 . . 3.700 2.474 2.400 2.555 . 0 0 "[ . 1 . 2]" 1
290 1 29 PHE HB3 1 29 PHE HE2 . . 4.950 4.693 4.654 4.738 . 0 0 "[ . 1 . 2]" 1
291 1 29 PHE HB3 1 30 LYS H . . 3.930 3.155 2.928 3.435 . 0 0 "[ . 1 . 2]" 1
292 1 29 PHE HD2 1 30 LYS H . . 5.450 4.413 3.874 4.864 . 0 0 "[ . 1 . 2]" 1
293 1 29 PHE HD2 1 30 LYS HA . . 5.500 3.830 3.271 4.393 . 0 0 "[ . 1 . 2]" 1
294 1 29 PHE HD2 1 31 GLN H . . 5.500 5.396 5.127 5.500 . 18 0 "[ . 1 . 2]" 1
295 1 30 LYS H 1 30 LYS QB . . 3.500 2.234 2.169 2.374 . 0 0 "[ . 1 . 2]" 1
296 1 30 LYS H 1 30 LYS QG . . 4.440 3.580 2.397 4.053 . 0 0 "[ . 1 . 2]" 1
297 1 30 LYS HA 1 31 GLN H . . 3.480 3.469 3.429 3.480 0.000 6 0 "[ . 1 . 2]" 1
298 1 30 LYS QG 1 31 GLN H . . 5.340 3.877 2.262 4.599 . 0 0 "[ . 1 . 2]" 1
299 1 31 GLN H 1 31 GLN QB . . 3.610 2.302 2.189 2.519 . 0 0 "[ . 1 . 2]" 1
300 1 31 GLN H 1 31 GLN HG2 . . 5.500 3.493 2.164 4.628 . 0 0 "[ . 1 . 2]" 1
301 1 31 GLN H 1 31 GLN HG3 . . 5.500 3.851 2.053 4.593 . 0 0 "[ . 1 . 2]" 1
302 1 31 GLN HA 1 32 SER H . . 3.510 3.490 3.462 3.509 . 0 0 "[ . 1 . 2]" 1
303 1 32 SER H 1 33 HIS H . . 4.340 2.599 2.298 2.848 . 0 0 "[ . 1 . 2]" 1
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