NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
620156 |
5ub0   |
30220 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ub0
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 736
_Distance_constraint_stats_list.Viol_count 195
_Distance_constraint_stats_list.Viol_total 9.374
_Distance_constraint_stats_list.Viol_max 0.058
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 MET 0.002 0.001 4 0 "[ . 1]"
1 2 THR 0.001 0.001 3 0 "[ . 1]"
1 3 PHE 0.010 0.004 9 0 "[ . 1]"
1 4 LYS 0.014 0.002 5 0 "[ . 1]"
1 5 LEU 0.024 0.003 10 0 "[ . 1]"
1 6 ILE 0.691 0.058 9 0 "[ . 1]"
1 7 ILE 0.061 0.009 5 0 "[ . 1]"
1 8 ASN 0.672 0.058 9 0 "[ . 1]"
1 9 GLY 0.010 0.005 6 0 "[ . 1]"
1 10 LYS 0.001 0.001 9 0 "[ . 1]"
1 11 THR 0.001 0.001 9 0 "[ . 1]"
1 12 LEU 0.008 0.005 6 0 "[ . 1]"
1 13 LYS 0.011 0.004 9 0 "[ . 1]"
1 14 GLY 0.005 0.003 6 0 "[ . 1]"
1 15 GLU 0.006 0.003 6 0 "[ . 1]"
1 16 THR 0.013 0.005 6 0 "[ . 1]"
1 17 THR 0.009 0.004 9 0 "[ . 1]"
1 18 THR 0.005 0.005 9 0 "[ . 1]"
1 19 GLU 0.011 0.004 9 0 "[ . 1]"
1 20 ALA 0.013 0.005 9 0 "[ . 1]"
1 21 VAL 0.000 0.000 . 0 "[ . 1]"
1 22 ASP 0.001 0.001 9 0 "[ . 1]"
1 23 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 ALA 0.000 0.000 . 0 "[ . 1]"
1 25 THR 0.000 0.000 . 0 "[ . 1]"
1 26 ALA 0.003 0.002 9 0 "[ . 1]"
1 27 GLU 0.000 0.000 . 0 "[ . 1]"
1 28 LYS 0.000 0.000 7 0 "[ . 1]"
1 29 VAL 0.001 0.001 3 0 "[ . 1]"
1 30 LEU 0.004 0.001 3 0 "[ . 1]"
1 31 LYS 0.004 0.002 3 0 "[ . 1]"
1 32 GLN 0.006 0.002 3 0 "[ . 1]"
1 33 TYR 0.000 0.000 9 0 "[ . 1]"
1 34 ALA 0.008 0.002 3 0 "[ . 1]"
1 35 ASN 0.013 0.003 7 0 "[ . 1]"
1 36 ASP 0.001 0.001 7 0 "[ . 1]"
1 37 ASN 0.003 0.001 3 0 "[ . 1]"
1 38 GLY 0.000 0.000 . 0 "[ . 1]"
1 39 ILE 0.012 0.003 7 0 "[ . 1]"
1 40 ASP 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.001 0.001 3 0 "[ . 1]"
1 42 GLU 0.004 0.001 9 0 "[ . 1]"
1 43 TRP 0.001 0.001 10 0 "[ . 1]"
1 44 THR 0.000 0.000 3 0 "[ . 1]"
1 45 TYR 0.000 0.000 . 0 "[ . 1]"
1 46 ASP 0.008 0.002 8 0 "[ . 1]"
1 47 ASP 0.000 0.000 . 0 "[ . 1]"
1 48 ALA 0.024 0.006 5 0 "[ . 1]"
1 49 THR 0.035 0.008 4 0 "[ . 1]"
1 50 LYS 0.011 0.003 9 0 "[ . 1]"
1 51 THR 0.068 0.008 4 0 "[ . 1]"
1 52 PHE 0.014 0.002 5 0 "[ . 1]"
1 53 THR 0.045 0.005 4 0 "[ . 1]"
1 54 VAL 0.010 0.002 7 0 "[ . 1]"
1 55 THR 0.011 0.002 7 0 "[ . 1]"
1 56 GLU 0.008 0.002 10 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 1 MET H1 1 1 MET QG . . 4.070 3.348 2.918 4.070 . 0 0 "[ . 1]" 1
2 1 1 MET H1 1 2 THR H . . 4.640 4.264 4.074 4.597 . 0 0 "[ . 1]" 1
3 1 1 MET H1 1 19 GLU HA . . 4.490 4.198 3.854 4.443 . 0 0 "[ . 1]" 1
4 1 1 MET H1 1 20 ALA H . . 3.470 3.109 2.610 3.396 . 0 0 "[ . 1]" 1
5 1 1 MET H1 1 20 ALA MB . . 5.030 4.641 4.311 5.031 0.001 4 0 "[ . 1]" 1
6 1 1 MET H1 1 21 VAL HA . . 4.270 3.781 3.501 4.140 . 0 0 "[ . 1]" 1
7 1 1 MET H1 1 21 VAL MG1 . . 5.050 4.540 4.164 4.899 . 0 0 "[ . 1]" 1
8 1 1 MET HA 1 2 THR H . . 2.710 2.193 2.140 2.425 . 0 0 "[ . 1]" 1
9 1 1 MET QB 1 2 THR H . . 3.430 3.161 2.348 3.431 0.001 3 0 "[ . 1]" 1
10 1 1 MET QB 1 3 PHE H . . 5.340 5.154 4.789 5.330 . 0 0 "[ . 1]" 1
11 1 1 MET QB 1 20 ALA H . . 4.440 3.945 3.468 4.145 . 0 0 "[ . 1]" 1
12 1 2 THR H 1 2 THR HB . . 3.010 2.697 2.527 2.902 . 0 0 "[ . 1]" 1
13 1 2 THR H 1 2 THR MG . . 4.010 3.793 3.687 3.846 . 0 0 "[ . 1]" 1
14 1 2 THR H 1 3 PHE H . . 4.640 4.506 4.319 4.560 . 0 0 "[ . 1]" 1
15 1 2 THR H 1 19 GLU HA . . 5.190 4.938 4.074 5.178 . 0 0 "[ . 1]" 1
16 1 2 THR HB 1 3 PHE H . . 4.350 4.006 3.670 4.257 . 0 0 "[ . 1]" 1
17 1 2 THR MG 1 3 PHE H . . 3.530 2.494 2.357 2.822 . 0 0 "[ . 1]" 1
18 1 2 THR MG 1 18 THR H . . 4.420 3.616 3.144 4.008 . 0 0 "[ . 1]" 1
19 1 2 THR MG 1 19 GLU HA . . 4.760 3.901 3.419 4.473 . 0 0 "[ . 1]" 1
20 1 3 PHE H 1 3 PHE HB3 . . 4.080 3.549 3.486 3.602 . 0 0 "[ . 1]" 1
21 1 3 PHE H 1 3 PHE QD . . 3.680 3.478 3.267 3.681 0.001 8 0 "[ . 1]" 1
22 1 3 PHE H 1 4 LYS H . . 4.710 4.499 4.452 4.525 . 0 0 "[ . 1]" 1
23 1 3 PHE H 1 18 THR H . . 3.530 2.926 2.676 3.135 . 0 0 "[ . 1]" 1
24 1 3 PHE H 1 19 GLU HA . . 3.890 3.626 2.657 3.838 . 0 0 "[ . 1]" 1
25 1 3 PHE H 1 19 GLU QG . . 5.180 4.803 4.457 5.184 0.004 9 0 "[ . 1]" 1
26 1 3 PHE H 1 26 ALA MB . . 4.600 4.261 4.107 4.409 . 0 0 "[ . 1]" 1
27 1 3 PHE HA 1 3 PHE QD . . 4.230 2.793 2.692 2.930 . 0 0 "[ . 1]" 1
28 1 3 PHE HA 1 4 LYS H . . 2.690 2.333 2.264 2.456 . 0 0 "[ . 1]" 1
29 1 3 PHE HA 1 4 LYS HB2 . . 4.970 4.060 4.007 4.143 . 0 0 "[ . 1]" 1
30 1 3 PHE HA 1 50 LYS QB . . 4.380 4.263 4.155 4.361 . 0 0 "[ . 1]" 1
31 1 3 PHE HB2 1 4 LYS H . . 4.180 4.024 3.831 4.141 . 0 0 "[ . 1]" 1
32 1 3 PHE HB2 1 18 THR H . . 4.420 3.477 3.258 3.781 . 0 0 "[ . 1]" 1
33 1 3 PHE HB2 1 18 THR MG . . 3.800 3.083 2.766 3.267 . 0 0 "[ . 1]" 1
34 1 3 PHE HB2 1 20 ALA H . . 5.500 4.683 4.399 4.843 . 0 0 "[ . 1]" 1
35 1 3 PHE HB2 1 26 ALA MB . . 3.810 2.632 2.508 2.761 . 0 0 "[ . 1]" 1
36 1 3 PHE HB2 1 52 PHE QE . . 5.500 4.803 4.144 5.418 . 0 0 "[ . 1]" 1
37 1 3 PHE HB3 1 4 LYS H . . 2.900 2.712 2.409 2.899 . 0 0 "[ . 1]" 1
38 1 3 PHE HB3 1 18 THR H . . 4.960 4.181 3.801 4.474 . 0 0 "[ . 1]" 1
39 1 3 PHE HB3 1 18 THR MG . . 4.290 3.735 3.501 3.910 . 0 0 "[ . 1]" 1
40 1 3 PHE HB3 1 26 ALA MB . . 3.480 3.235 3.136 3.449 . 0 0 "[ . 1]" 1
41 1 3 PHE QD 1 4 LYS H . . 4.420 2.822 2.637 2.979 . 0 0 "[ . 1]" 1
42 1 3 PHE QD 1 18 THR MG . . 4.480 4.266 3.861 4.471 . 0 0 "[ . 1]" 1
43 1 3 PHE QD 1 19 GLU HA . . 4.850 4.585 3.388 4.823 . 0 0 "[ . 1]" 1
44 1 3 PHE QD 1 20 ALA H . . 3.760 3.591 2.834 3.755 . 0 0 "[ . 1]" 1
45 1 3 PHE QD 1 20 ALA MB . . 3.960 3.080 2.510 3.749 . 0 0 "[ . 1]" 1
46 1 3 PHE QD 1 26 ALA MB . . 3.800 2.681 2.273 3.029 . 0 0 "[ . 1]" 1
47 1 3 PHE QD 1 50 LYS HA . . 4.730 4.455 4.314 4.565 . 0 0 "[ . 1]" 1
48 1 3 PHE QD 1 50 LYS HB2 . . 5.080 5.056 5.027 5.079 . 0 0 "[ . 1]" 1
49 1 3 PHE QD 1 50 LYS QB . . 4.380 3.561 3.530 3.609 . 0 0 "[ . 1]" 1
50 1 3 PHE QD 1 50 LYS HB3 . . 5.080 3.639 3.602 3.693 . 0 0 "[ . 1]" 1
51 1 3 PHE QE 1 46 ASP H . . 5.500 5.499 5.488 5.502 0.002 8 0 "[ . 1]" 1
52 1 3 PHE QE 1 50 LYS H . . 5.330 5.033 4.970 5.135 . 0 0 "[ . 1]" 1
53 1 3 PHE QE 1 51 THR H . . 5.000 4.502 4.303 4.665 . 0 0 "[ . 1]" 1
54 1 4 LYS H 1 4 LYS HB2 . . 3.490 2.754 2.619 2.943 . 0 0 "[ . 1]" 1
55 1 4 LYS H 1 4 LYS HB3 . . 3.360 2.982 2.840 3.080 . 0 0 "[ . 1]" 1
56 1 4 LYS H 1 4 LYS QG . . 4.530 4.106 4.047 4.155 . 0 0 "[ . 1]" 1
57 1 4 LYS H 1 51 THR MG . . 4.170 3.710 3.160 3.915 . 0 0 "[ . 1]" 1
58 1 4 LYS H 1 52 PHE H . . 4.280 4.026 3.870 4.169 . 0 0 "[ . 1]" 1
59 1 4 LYS HA 1 5 LEU H . . 2.890 2.240 2.162 2.275 . 0 0 "[ . 1]" 1
60 1 4 LYS HA 1 16 THR H . . 4.700 4.432 4.208 4.575 . 0 0 "[ . 1]" 1
61 1 4 LYS HA 1 17 THR H . . 5.230 4.947 4.819 5.077 . 0 0 "[ . 1]" 1
62 1 4 LYS HA 1 17 THR HA . . 3.150 2.736 2.445 2.850 . 0 0 "[ . 1]" 1
63 1 4 LYS HA 1 17 THR MG . . 3.590 2.076 1.975 2.221 . 0 0 "[ . 1]" 1
64 1 4 LYS HA 1 18 THR H . . 4.590 4.373 3.938 4.484 . 0 0 "[ . 1]" 1
65 1 4 LYS HB2 1 51 THR HA . . 4.930 4.713 4.588 4.796 . 0 0 "[ . 1]" 1
66 1 4 LYS HB2 1 52 PHE H . . 5.500 5.500 5.484 5.502 0.002 5 0 "[ . 1]" 1
67 1 4 LYS HB3 1 5 LEU H . . 4.090 3.600 3.474 3.843 . 0 0 "[ . 1]" 1
68 1 4 LYS HB3 1 51 THR HA . . 4.070 3.887 3.449 4.071 0.001 7 0 "[ . 1]" 1
69 1 4 LYS HB3 1 51 THR MG . . 3.360 2.456 2.054 2.695 . 0 0 "[ . 1]" 1
70 1 4 LYS HB3 1 52 PHE H . . 4.540 4.207 3.989 4.319 . 0 0 "[ . 1]" 1
71 1 4 LYS QD 1 6 ILE MD . . 4.470 3.352 2.820 4.443 . 0 0 "[ . 1]" 1
72 1 4 LYS QE 1 6 ILE MD . . 4.680 3.774 2.651 4.681 0.001 3 0 "[ . 1]" 1
73 1 5 LEU H 1 5 LEU HB2 . . 3.470 2.892 2.638 3.154 . 0 0 "[ . 1]" 1
74 1 5 LEU H 1 5 LEU HB3 . . 3.500 2.649 2.505 2.868 . 0 0 "[ . 1]" 1
75 1 5 LEU H 1 16 THR HA . . 5.350 4.611 4.525 4.776 . 0 0 "[ . 1]" 1
76 1 5 LEU H 1 16 THR MG . . 4.110 3.605 3.139 3.891 . 0 0 "[ . 1]" 1
77 1 5 LEU H 1 17 THR HA . . 3.870 3.659 3.386 3.772 . 0 0 "[ . 1]" 1
78 1 5 LEU H 1 17 THR MG . . 3.870 3.116 3.008 3.241 . 0 0 "[ . 1]" 1
79 1 5 LEU HA 1 5 LEU QD . . 3.300 2.243 1.973 2.764 . 0 0 "[ . 1]" 1
80 1 5 LEU HA 1 6 ILE H . . 3.020 2.186 2.159 2.232 . 0 0 "[ . 1]" 1
81 1 5 LEU HA 1 52 PHE H . . 3.950 3.275 3.040 3.391 . 0 0 "[ . 1]" 1
82 1 5 LEU HA 1 52 PHE QB . . 4.030 2.669 2.521 2.774 . 0 0 "[ . 1]" 1
83 1 5 LEU HA 1 52 PHE QD . . 4.990 4.060 3.525 4.440 . 0 0 "[ . 1]" 1
84 1 5 LEU HB2 1 16 THR H . . 4.560 3.639 3.407 4.158 . 0 0 "[ . 1]" 1
85 1 5 LEU HB2 1 16 THR MG . . 3.740 2.531 2.045 2.924 . 0 0 "[ . 1]" 1
86 1 5 LEU HB2 1 52 PHE H . . 5.450 5.341 4.968 5.451 0.001 1 0 "[ . 1]" 1
87 1 5 LEU HB3 1 6 ILE H . . 4.690 3.996 3.739 4.106 . 0 0 "[ . 1]" 1
88 1 5 LEU HB3 1 7 ILE HG13 . . 4.730 4.059 3.626 4.395 . 0 0 "[ . 1]" 1
89 1 5 LEU HB3 1 16 THR H . . 3.730 2.219 1.950 2.600 . 0 0 "[ . 1]" 1
90 1 5 LEU HB3 1 16 THR MG . . 3.510 2.013 1.883 2.146 . 0 0 "[ . 1]" 1
91 1 5 LEU HB3 1 30 LEU HA . . 5.320 5.174 4.915 5.319 . 0 0 "[ . 1]" 1
92 1 5 LEU HB3 1 30 LEU HB3 . . 4.920 4.546 4.080 4.916 . 0 0 "[ . 1]" 1
93 1 5 LEU QD 1 6 ILE H . . 3.410 2.026 1.916 2.190 . 0 0 "[ . 1]" 1
94 1 5 LEU QD 1 7 ILE HG12 . . 3.160 2.713 2.153 3.085 . 0 0 "[ . 1]" 1
95 1 5 LEU QD 1 16 THR MG . . 3.260 1.931 1.833 2.155 . 0 0 "[ . 1]" 1
96 1 5 LEU QD 1 30 LEU HA . . 4.370 2.555 2.152 2.684 . 0 0 "[ . 1]" 1
97 1 5 LEU QD 1 31 LYS HA . . 3.950 3.785 3.359 3.952 0.002 3 0 "[ . 1]" 1
98 1 5 LEU QD 1 33 TYR QD . . 3.980 3.190 2.787 3.556 . 0 0 "[ . 1]" 1
99 1 5 LEU QD 1 34 ALA H . . 3.940 3.359 3.024 3.640 . 0 0 "[ . 1]" 1
100 1 5 LEU QD 1 35 ASN H . . 5.340 5.130 4.865 5.252 . 0 0 "[ . 1]" 1
101 1 5 LEU QD 1 43 TRP HZ3 . . 3.890 2.456 1.911 3.060 . 0 0 "[ . 1]" 1
102 1 5 LEU QD 1 52 PHE QB . . 3.430 2.510 2.145 3.070 . 0 0 "[ . 1]" 1
103 1 5 LEU QD 1 52 PHE QD . . 4.330 3.948 3.770 4.331 0.001 4 0 "[ . 1]" 1
104 1 5 LEU QD 1 53 THR H . . 4.550 4.488 4.175 4.553 0.003 10 0 "[ . 1]" 1
105 1 5 LEU QD 1 53 THR HA . . 3.960 3.659 3.535 3.831 . 0 0 "[ . 1]" 1
106 1 5 LEU QD 1 54 VAL H . . 4.000 3.777 3.168 4.001 0.001 2 0 "[ . 1]" 1
107 1 5 LEU MD1 1 7 ILE HG12 . . 3.820 3.459 3.306 3.692 . 0 0 "[ . 1]" 1
108 1 5 LEU MD1 1 43 TRP HH2 . . 4.120 2.462 1.996 2.786 . 0 0 "[ . 1]" 1
109 1 5 LEU MD2 1 7 ILE HG12 . . 3.820 2.896 2.172 3.372 . 0 0 "[ . 1]" 1
110 1 5 LEU MD2 1 43 TRP HH2 . . 4.120 2.666 2.154 3.354 . 0 0 "[ . 1]" 1
111 1 5 LEU HG 1 54 VAL H . . 5.500 5.488 5.456 5.502 0.002 7 0 "[ . 1]" 1
112 1 6 ILE H 1 6 ILE HB . . 3.340 2.550 2.480 2.599 . 0 0 "[ . 1]" 1
113 1 6 ILE H 1 6 ILE MD . . 4.040 4.028 3.997 4.044 0.004 1 0 "[ . 1]" 1
114 1 6 ILE H 1 6 ILE HG12 . . 3.800 3.148 3.045 3.237 . 0 0 "[ . 1]" 1
115 1 6 ILE H 1 7 ILE H . . 4.710 4.096 4.063 4.133 . 0 0 "[ . 1]" 1
116 1 6 ILE H 1 52 PHE H . . 4.610 4.085 3.935 4.210 . 0 0 "[ . 1]" 1
117 1 6 ILE H 1 52 PHE QB . . 4.470 3.348 3.228 3.434 . 0 0 "[ . 1]" 1
118 1 6 ILE H 1 53 THR HA . . 3.490 2.966 2.848 3.103 . 0 0 "[ . 1]" 1
119 1 6 ILE H 1 53 THR MG . . 4.750 4.581 4.413 4.743 . 0 0 "[ . 1]" 1
120 1 6 ILE H 1 54 VAL H . . 4.230 4.069 3.822 4.170 . 0 0 "[ . 1]" 1
121 1 6 ILE HA 1 6 ILE MD . . 3.540 2.028 1.959 2.058 . 0 0 "[ . 1]" 1
122 1 6 ILE HA 1 6 ILE HG12 . . 4.110 2.828 2.823 2.837 . 0 0 "[ . 1]" 1
123 1 6 ILE HA 1 6 ILE HG13 . . 4.110 3.659 3.655 3.663 . 0 0 "[ . 1]" 1
124 1 6 ILE HA 1 6 ILE MG . . 3.410 2.471 2.447 2.488 . 0 0 "[ . 1]" 1
125 1 6 ILE HA 1 7 ILE H . . 2.810 2.163 2.152 2.171 . 0 0 "[ . 1]" 1
126 1 6 ILE HA 1 15 GLU HA . . 3.560 3.439 3.303 3.502 . 0 0 "[ . 1]" 1
127 1 6 ILE HA 1 15 GLU QB . . 4.850 3.238 2.799 3.832 . 0 0 "[ . 1]" 1
128 1 6 ILE HA 1 16 THR H . . 4.770 4.755 4.666 4.775 0.005 6 0 "[ . 1]" 1
129 1 6 ILE HB 1 6 ILE MD . . 3.560 3.219 3.214 3.230 . 0 0 "[ . 1]" 1
130 1 6 ILE HB 1 53 THR HA . . 3.570 2.052 1.999 2.137 . 0 0 "[ . 1]" 1
131 1 6 ILE HB 1 53 THR MG . . 4.270 2.858 2.652 3.096 . 0 0 "[ . 1]" 1
132 1 6 ILE HB 1 54 VAL H . . 4.310 3.757 3.685 3.821 . 0 0 "[ . 1]" 1
133 1 6 ILE MD 1 7 ILE H . . 3.520 3.523 3.506 3.529 0.009 5 0 "[ . 1]" 1
134 1 6 ILE MD 1 8 ASN HA . . 5.500 5.550 5.546 5.558 0.058 9 0 "[ . 1]" 1
135 1 6 ILE MD 1 8 ASN HB2 . . 5.500 5.513 5.507 5.517 0.017 7 0 "[ . 1]" 1
136 1 6 ILE MD 1 15 GLU HA . . 4.400 4.126 3.932 4.225 . 0 0 "[ . 1]" 1
137 1 6 ILE MD 1 15 GLU QB . . 4.730 2.799 2.494 3.246 . 0 0 "[ . 1]" 1
138 1 6 ILE MD 1 15 GLU QG . . 5.350 3.782 2.068 4.638 . 0 0 "[ . 1]" 1
139 1 6 ILE MD 1 16 THR H . . 5.380 4.881 4.741 4.962 . 0 0 "[ . 1]" 1
140 1 6 ILE HG12 1 7 ILE H . . 5.010 4.967 4.952 4.977 . 0 0 "[ . 1]" 1
141 1 6 ILE HG12 1 15 GLU HA . . 5.500 5.457 5.325 5.501 0.001 5 0 "[ . 1]" 1
142 1 6 ILE HG13 1 6 ILE MG . . 3.540 2.346 2.326 2.364 . 0 0 "[ . 1]" 1
143 1 6 ILE MG 1 8 ASN HB2 . . 4.220 2.958 2.887 3.031 . 0 0 "[ . 1]" 1
144 1 7 ILE H 1 13 LYS HA . . 5.240 5.134 4.795 5.216 . 0 0 "[ . 1]" 1
145 1 7 ILE H 1 14 GLY H . . 3.510 3.372 3.173 3.484 . 0 0 "[ . 1]" 1
146 1 7 ILE H 1 15 GLU HA . . 3.700 3.276 3.184 3.379 . 0 0 "[ . 1]" 1
147 1 7 ILE HA 1 7 ILE MD . . 4.530 3.862 3.846 3.875 . 0 0 "[ . 1]" 1
148 1 7 ILE HA 1 7 ILE HG12 . . 3.880 2.603 2.571 2.626 . 0 0 "[ . 1]" 1
149 1 7 ILE HA 1 7 ILE MG . . 3.290 2.296 2.247 2.353 . 0 0 "[ . 1]" 1
150 1 7 ILE HA 1 8 ASN H . . 2.740 2.255 2.254 2.257 . 0 0 "[ . 1]" 1
151 1 7 ILE HA 1 8 ASN HA . . 4.960 4.489 4.487 4.493 . 0 0 "[ . 1]" 1
152 1 7 ILE HA 1 54 VAL H . . 3.850 3.113 2.937 3.271 . 0 0 "[ . 1]" 1
153 1 7 ILE HA 1 54 VAL QG . . 3.540 2.582 1.900 3.325 . 0 0 "[ . 1]" 1
154 1 7 ILE HB 1 13 LYS HA . . 4.920 3.498 3.184 3.853 . 0 0 "[ . 1]" 1
155 1 7 ILE HB 1 14 GLY H . . 2.960 2.347 1.949 2.581 . 0 0 "[ . 1]" 1
156 1 7 ILE HB 1 14 GLY QA . . 3.990 3.357 2.401 3.805 . 0 0 "[ . 1]" 1
157 1 7 ILE MD 1 14 GLY HA2 . . 4.880 4.572 3.786 4.883 0.003 6 0 "[ . 1]" 1
158 1 7 ILE MD 1 14 GLY QA . . 4.270 3.145 2.248 3.495 . 0 0 "[ . 1]" 1
159 1 7 ILE MD 1 14 GLY HA3 . . 4.880 3.209 2.265 3.582 . 0 0 "[ . 1]" 1
160 1 7 ILE MD 1 15 GLU H . . 4.270 3.947 3.007 4.270 0.000 3 0 "[ . 1]" 1
161 1 7 ILE MD 1 15 GLU HA . . 4.380 3.625 3.396 3.743 . 0 0 "[ . 1]" 1
162 1 7 ILE MD 1 16 THR H . . 5.500 4.808 4.678 4.992 . 0 0 "[ . 1]" 1
163 1 7 ILE MD 1 33 TYR QE . . 3.740 2.997 2.453 3.592 . 0 0 "[ . 1]" 1
164 1 7 ILE MD 1 37 ASN HB3 . . 5.500 5.009 4.393 5.498 . 0 0 "[ . 1]" 1
165 1 7 ILE MD 1 37 ASN HD21 . . 5.450 5.073 4.383 5.451 0.001 3 0 "[ . 1]" 1
166 1 7 ILE HG12 1 15 GLU HA . . 5.010 4.953 4.744 5.013 0.003 6 0 "[ . 1]" 1
167 1 7 ILE HG12 1 54 VAL H . . 5.250 4.826 4.587 5.097 . 0 0 "[ . 1]" 1
168 1 7 ILE HG12 1 54 VAL QG . . 4.130 3.059 2.746 3.480 . 0 0 "[ . 1]" 1
169 1 7 ILE HG13 1 14 GLY QA . . 4.920 4.455 3.885 4.779 . 0 0 "[ . 1]" 1
170 1 7 ILE HG13 1 16 THR H . . 5.010 4.820 4.695 5.011 0.001 9 0 "[ . 1]" 1
171 1 7 ILE MG 1 8 ASN H . . 3.620 3.354 3.297 3.473 . 0 0 "[ . 1]" 1
172 1 7 ILE MG 1 9 GLY H . . 3.660 3.283 3.004 3.489 . 0 0 "[ . 1]" 1
173 1 7 ILE MG 1 9 GLY HA2 . . 4.610 3.923 3.715 4.050 . 0 0 "[ . 1]" 1
174 1 7 ILE MG 1 9 GLY HA3 . . 4.090 3.348 3.155 3.497 . 0 0 "[ . 1]" 1
175 1 7 ILE MG 1 12 LEU H . . 5.440 5.267 4.977 5.443 0.003 9 0 "[ . 1]" 1
176 1 7 ILE MG 1 13 LYS HA . . 4.180 3.265 2.967 3.632 . 0 0 "[ . 1]" 1
177 1 7 ILE MG 1 14 GLY H . . 3.760 3.501 3.025 3.751 . 0 0 "[ . 1]" 1
178 1 8 ASN H 1 8 ASN HB2 . . 3.530 2.491 2.441 2.538 . 0 0 "[ . 1]" 1
179 1 8 ASN H 1 8 ASN HB3 . . 3.560 2.612 2.563 2.666 . 0 0 "[ . 1]" 1
180 1 8 ASN H 1 9 GLY H . . 4.220 3.952 3.887 4.062 . 0 0 "[ . 1]" 1
181 1 8 ASN H 1 13 LYS QG . . 4.590 4.413 4.234 4.592 0.002 9 0 "[ . 1]" 1
182 1 8 ASN H 1 54 VAL H . . 3.970 3.088 2.884 3.371 . 0 0 "[ . 1]" 1
183 1 8 ASN H 1 54 VAL QG . . 4.030 3.239 2.360 4.032 0.002 5 0 "[ . 1]" 1
184 1 8 ASN H 1 55 THR HA . . 4.610 3.908 3.779 4.020 . 0 0 "[ . 1]" 1
185 1 8 ASN H 1 56 GLU H . . 4.620 4.355 4.160 4.548 . 0 0 "[ . 1]" 1
186 1 8 ASN HA 1 9 GLY H . . 2.900 2.357 2.297 2.392 . 0 0 "[ . 1]" 1
187 1 8 ASN HA 1 13 LYS HB2 . . 5.070 4.664 4.309 5.073 0.003 6 0 "[ . 1]" 1
188 1 8 ASN HA 1 13 LYS QD . . 4.260 3.409 3.017 4.088 . 0 0 "[ . 1]" 1
189 1 8 ASN HA 1 13 LYS QG . . 4.290 2.310 2.092 2.496 . 0 0 "[ . 1]" 1
190 1 8 ASN HB2 1 9 GLY H . . 4.840 4.640 4.610 4.656 . 0 0 "[ . 1]" 1
191 1 8 ASN HB2 1 53 THR MG . . 4.870 2.924 2.872 2.992 . 0 0 "[ . 1]" 1
192 1 8 ASN HB2 1 55 THR HA . . 4.070 3.554 3.399 3.699 . 0 0 "[ . 1]" 1
193 1 8 ASN HB2 1 55 THR MG . . 4.340 4.165 3.940 4.340 0.000 3 0 "[ . 1]" 1
194 1 8 ASN HB2 1 56 GLU H . . 4.860 4.670 4.389 4.851 . 0 0 "[ . 1]" 1
195 1 8 ASN HB3 1 9 GLY H . . 4.540 4.445 4.427 4.466 . 0 0 "[ . 1]" 1
196 1 8 ASN HB3 1 53 THR MG . . 4.050 3.711 3.526 3.890 . 0 0 "[ . 1]" 1
197 1 8 ASN HB3 1 55 THR HA . . 4.020 2.048 1.998 2.133 . 0 0 "[ . 1]" 1
198 1 8 ASN HB3 1 55 THR MG . . 3.910 3.115 2.942 3.277 . 0 0 "[ . 1]" 1
199 1 8 ASN HB3 1 56 GLU H . . 4.150 2.931 2.649 3.110 . 0 0 "[ . 1]" 1
200 1 8 ASN HD21 1 53 THR MG . . 3.760 3.564 3.541 3.646 . 0 0 "[ . 1]" 1
201 1 8 ASN HD21 1 55 THR HA . . 4.710 3.742 3.396 3.820 . 0 0 "[ . 1]" 1
202 1 8 ASN HD21 1 55 THR MG . . 3.900 3.061 2.534 3.256 . 0 0 "[ . 1]" 1
203 1 8 ASN HD22 1 53 THR MG . . 4.930 4.933 4.926 4.935 0.005 4 0 "[ . 1]" 1
204 1 8 ASN HD22 1 55 THR HA . . 4.770 4.752 4.588 4.772 0.002 7 0 "[ . 1]" 1
205 1 8 ASN HD22 1 55 THR MG . . 4.170 3.486 3.164 3.630 . 0 0 "[ . 1]" 1
206 1 9 GLY H 1 9 GLY HA3 . . 2.910 2.383 2.324 2.412 . 0 0 "[ . 1]" 1
207 1 9 GLY H 1 10 LYS H . . 4.520 4.427 4.315 4.506 . 0 0 "[ . 1]" 1
208 1 9 GLY H 1 12 LEU H . . 4.780 4.734 4.659 4.785 0.005 6 0 "[ . 1]" 1
209 1 9 GLY H 1 13 LYS HA . . 3.570 2.361 1.949 2.601 . 0 0 "[ . 1]" 1
210 1 9 GLY H 1 13 LYS HB2 . . 3.970 3.524 3.107 3.974 0.004 9 0 "[ . 1]" 1
211 1 9 GLY H 1 13 LYS QG . . 3.800 2.047 1.895 2.455 . 0 0 "[ . 1]" 1
212 1 9 GLY HA2 1 10 LYS H . . 2.990 2.143 2.137 2.153 . 0 0 "[ . 1]" 1
213 1 9 GLY HA2 1 56 GLU H . . 3.770 3.756 3.641 3.770 0.000 1 0 "[ . 1]" 1
214 1 9 GLY HA2 1 56 GLU HB2 . . 4.200 2.264 2.025 2.378 . 0 0 "[ . 1]" 1
215 1 9 GLY HA2 1 56 GLU QB . . 3.450 2.236 2.005 2.340 . 0 0 "[ . 1]" 1
216 1 9 GLY HA2 1 56 GLU HB3 . . 4.200 3.471 3.236 3.615 . 0 0 "[ . 1]" 1
217 1 9 GLY HA2 1 56 GLU QG . . 4.230 3.529 3.119 3.809 . 0 0 "[ . 1]" 1
218 1 9 GLY HA3 1 10 LYS H . . 3.320 3.227 3.146 3.317 . 0 0 "[ . 1]" 1
219 1 9 GLY HA3 1 11 THR H . . 4.280 3.501 3.261 3.640 . 0 0 "[ . 1]" 1
220 1 9 GLY HA3 1 12 LEU H . . 3.740 2.820 2.733 2.965 . 0 0 "[ . 1]" 1
221 1 9 GLY HA3 1 13 LYS H . . 5.500 4.525 4.037 4.864 . 0 0 "[ . 1]" 1
222 1 9 GLY HA3 1 56 GLU H . . 5.400 5.287 5.183 5.391 . 0 0 "[ . 1]" 1
223 1 9 GLY HA3 1 56 GLU HB2 . . 4.970 3.836 3.625 3.993 . 0 0 "[ . 1]" 1
224 1 9 GLY HA3 1 56 GLU QB . . 4.200 3.699 3.495 3.837 . 0 0 "[ . 1]" 1
225 1 9 GLY HA3 1 56 GLU HB3 . . 4.970 4.860 4.586 4.971 0.001 3 0 "[ . 1]" 1
226 1 10 LYS H 1 10 LYS QB . . 2.890 2.511 2.365 2.593 . 0 0 "[ . 1]" 1
227 1 10 LYS H 1 10 LYS QG . . 3.200 2.187 2.062 2.479 . 0 0 "[ . 1]" 1
228 1 10 LYS H 1 11 THR H . . 3.540 2.605 2.467 2.693 . 0 0 "[ . 1]" 1
229 1 10 LYS H 1 11 THR MG . . 4.840 4.097 3.686 4.840 . 0 0 "[ . 1]" 1
230 1 10 LYS H 1 12 LEU H . . 4.320 3.954 3.764 4.316 . 0 0 "[ . 1]" 1
231 1 10 LYS H 1 56 GLU H . . 5.310 4.693 4.301 4.949 . 0 0 "[ . 1]" 1
232 1 10 LYS H 1 56 GLU QB . . 3.700 3.037 2.745 3.317 . 0 0 "[ . 1]" 1
233 1 10 LYS HA 1 10 LYS QD . . 4.030 3.734 2.705 4.030 0.000 3 0 "[ . 1]" 1
234 1 10 LYS HA 1 10 LYS QG . . 3.480 3.020 2.281 3.427 . 0 0 "[ . 1]" 1
235 1 10 LYS QB 1 11 THR H . . 3.590 3.282 2.779 3.591 0.001 9 0 "[ . 1]" 1
236 1 10 LYS QB 1 11 THR HA . . 5.070 4.308 4.011 4.511 . 0 0 "[ . 1]" 1
237 1 10 LYS QG 1 56 GLU QB . . 4.540 3.561 3.268 3.881 . 0 0 "[ . 1]" 1
238 1 10 LYS QG 1 56 GLU QG . . 5.500 5.321 4.715 5.496 . 0 0 "[ . 1]" 1
239 1 11 THR H 1 11 THR MG . . 4.060 2.274 1.932 3.097 . 0 0 "[ . 1]" 1
240 1 11 THR H 1 12 LEU H . . 2.950 2.096 1.899 2.403 . 0 0 "[ . 1]" 1
241 1 11 THR H 1 12 LEU QB . . 5.210 4.347 3.966 4.702 . 0 0 "[ . 1]" 1
242 1 11 THR HA 1 11 THR MG . . 3.330 2.896 2.022 3.207 . 0 0 "[ . 1]" 1
243 1 11 THR MG 1 12 LEU H . . 4.280 2.761 1.929 4.182 . 0 0 "[ . 1]" 1
244 1 12 LEU H 1 12 LEU HB2 . . 3.350 3.047 2.489 3.263 . 0 0 "[ . 1]" 1
245 1 12 LEU H 1 12 LEU HB3 . . 3.350 3.071 2.860 3.161 . 0 0 "[ . 1]" 1
246 1 12 LEU H 1 13 LYS H . . 4.360 3.922 3.802 4.047 . 0 0 "[ . 1]" 1
247 1 12 LEU HA 1 12 LEU QD . . 3.440 2.415 1.985 2.994 . 0 0 "[ . 1]" 1
248 1 12 LEU HA 1 13 LYS H . . 2.660 2.158 2.138 2.220 . 0 0 "[ . 1]" 1
249 1 12 LEU QB 1 13 LYS H . . 3.990 3.856 3.817 3.972 . 0 0 "[ . 1]" 1
250 1 12 LEU QD 1 13 LYS H . . 3.550 2.932 2.361 3.500 . 0 0 "[ . 1]" 1
251 1 13 LYS H 1 13 LYS HB2 . . 3.370 2.498 2.117 2.645 . 0 0 "[ . 1]" 1
252 1 13 LYS H 1 13 LYS HB3 . . 3.900 2.984 2.755 3.618 . 0 0 "[ . 1]" 1
253 1 13 LYS HA 1 13 LYS QG . . 3.830 2.315 2.189 2.482 . 0 0 "[ . 1]" 1
254 1 13 LYS HA 1 14 GLY H . . 2.680 2.323 2.206 2.436 . 0 0 "[ . 1]" 1
255 1 13 LYS HA 1 14 GLY QA . . 4.620 3.923 3.914 3.940 . 0 0 "[ . 1]" 1
256 1 13 LYS HB2 1 14 GLY H . . 4.480 4.067 3.581 4.350 . 0 0 "[ . 1]" 1
257 1 13 LYS HB3 1 14 GLY H . . 3.520 3.297 2.373 3.522 0.002 6 0 "[ . 1]" 1
258 1 14 GLY H 1 15 GLU HA . . 5.020 4.791 4.704 4.988 . 0 0 "[ . 1]" 1
259 1 14 GLY HA2 1 15 GLU H . . 2.980 2.588 2.375 2.849 . 0 0 "[ . 1]" 1
260 1 14 GLY HA3 1 15 GLU H . . 2.980 2.548 2.315 2.772 . 0 0 "[ . 1]" 1
261 1 15 GLU H 1 15 GLU HB2 . . 4.080 3.762 2.869 4.040 . 0 0 "[ . 1]" 1
262 1 15 GLU H 1 15 GLU QB . . 3.480 3.201 2.800 3.408 . 0 0 "[ . 1]" 1
263 1 15 GLU H 1 15 GLU HB3 . . 4.080 3.601 3.398 3.912 . 0 0 "[ . 1]" 1
264 1 15 GLU H 1 16 THR HB . . 5.250 4.592 4.185 4.848 . 0 0 "[ . 1]" 1
265 1 15 GLU HA 1 16 THR H . . 2.610 2.358 2.286 2.446 . 0 0 "[ . 1]" 1
266 1 15 GLU HA 1 16 THR MG . . 5.090 3.395 3.220 3.581 . 0 0 "[ . 1]" 1
267 1 15 GLU QB 1 16 THR H . . 3.200 2.500 2.312 2.667 . 0 0 "[ . 1]" 1
268 1 15 GLU HB2 1 16 THR H . . 3.860 2.761 2.465 3.574 . 0 0 "[ . 1]" 1
269 1 15 GLU HB3 1 16 THR H . . 3.860 3.520 2.348 3.859 . 0 0 "[ . 1]" 1
270 1 16 THR H 1 16 THR HB . . 3.870 3.513 3.432 3.671 . 0 0 "[ . 1]" 1
271 1 16 THR H 1 16 THR MG . . 3.250 2.511 2.394 2.650 . 0 0 "[ . 1]" 1
272 1 16 THR H 1 17 THR H . . 4.380 4.339 4.235 4.381 0.001 7 0 "[ . 1]" 1
273 1 16 THR HA 1 17 THR H . . 2.920 2.342 2.262 2.439 . 0 0 "[ . 1]" 1
274 1 16 THR HA 1 17 THR HA . . 4.710 4.444 4.409 4.498 . 0 0 "[ . 1]" 1
275 1 16 THR HB 1 17 THR H . . 3.830 3.796 3.732 3.834 0.004 9 0 "[ . 1]" 1
276 1 16 THR HB 1 33 TYR QE . . 4.800 3.409 2.815 3.948 . 0 0 "[ . 1]" 1
277 1 16 THR MG 1 17 THR H . . 3.930 3.604 3.271 3.879 . 0 0 "[ . 1]" 1
278 1 16 THR MG 1 17 THR HA . . 4.340 3.852 3.544 4.079 . 0 0 "[ . 1]" 1
279 1 16 THR MG 1 18 THR H . . 5.500 5.232 4.954 5.470 . 0 0 "[ . 1]" 1
280 1 16 THR MG 1 30 LEU HA . . 4.830 3.255 2.839 3.527 . 0 0 "[ . 1]" 1
281 1 16 THR MG 1 33 TYR H . . 5.310 4.766 4.496 5.037 . 0 0 "[ . 1]" 1
282 1 16 THR MG 1 33 TYR QD . . 4.340 2.915 2.630 3.177 . 0 0 "[ . 1]" 1
283 1 16 THR MG 1 33 TYR QE . . 4.170 3.525 3.276 3.975 . 0 0 "[ . 1]" 1
284 1 17 THR H 1 17 THR MG . . 3.600 2.926 2.746 3.072 . 0 0 "[ . 1]" 1
285 1 17 THR H 1 18 THR H . . 4.680 4.444 4.398 4.491 . 0 0 "[ . 1]" 1
286 1 17 THR HA 1 17 THR MG . . 3.310 2.344 2.281 2.462 . 0 0 "[ . 1]" 1
287 1 17 THR HA 1 18 THR H . . 2.820 2.309 2.192 2.367 . 0 0 "[ . 1]" 1
288 1 17 THR HA 1 26 ALA MB . . 5.500 5.493 5.474 5.502 0.002 9 0 "[ . 1]" 1
289 1 17 THR MG 1 18 THR H . . 4.710 3.820 3.741 3.932 . 0 0 "[ . 1]" 1
290 1 18 THR H 1 18 THR MG . . 3.360 2.361 2.120 2.585 . 0 0 "[ . 1]" 1
291 1 18 THR H 1 19 GLU H . . 4.510 4.152 4.028 4.281 . 0 0 "[ . 1]" 1
292 1 18 THR H 1 20 ALA MB . . 5.500 5.381 5.244 5.505 0.005 9 0 "[ . 1]" 1
293 1 18 THR H 1 26 ALA MB . . 4.370 4.192 3.997 4.363 . 0 0 "[ . 1]" 1
294 1 18 THR HA 1 19 GLU H . . 2.930 2.167 2.142 2.211 . 0 0 "[ . 1]" 1
295 1 18 THR MG 1 19 GLU H . . 4.250 4.008 3.750 4.138 . 0 0 "[ . 1]" 1
296 1 18 THR MG 1 20 ALA MB . . 3.630 3.175 2.963 3.332 . 0 0 "[ . 1]" 1
297 1 18 THR MG 1 26 ALA H . . 5.090 4.659 4.476 4.872 . 0 0 "[ . 1]" 1
298 1 18 THR MG 1 26 ALA HA . . 3.640 2.567 2.251 2.903 . 0 0 "[ . 1]" 1
299 1 18 THR MG 1 26 ALA MB . . 3.150 1.930 1.873 1.984 . 0 0 "[ . 1]" 1
300 1 18 THR MG 1 29 VAL HB . . 3.380 2.502 2.180 2.682 . 0 0 "[ . 1]" 1
301 1 18 THR MG 1 30 LEU H . . 3.410 3.322 2.989 3.410 0.000 7 0 "[ . 1]" 1
302 1 18 THR MG 1 30 LEU HG . . 3.480 2.427 1.974 3.122 . 0 0 "[ . 1]" 1
303 1 19 GLU H 1 19 GLU QG . . 3.880 3.065 1.929 3.875 . 0 0 "[ . 1]" 1
304 1 19 GLU H 1 20 ALA H . . 4.610 4.501 4.357 4.611 0.001 9 0 "[ . 1]" 1
305 1 19 GLU H 1 20 ALA MB . . 4.930 4.912 4.874 4.932 0.002 9 0 "[ . 1]" 1
306 1 19 GLU H 1 26 ALA MB . . 5.500 5.308 5.121 5.454 . 0 0 "[ . 1]" 1
307 1 19 GLU HA 1 20 ALA H . . 2.780 2.155 2.139 2.221 . 0 0 "[ . 1]" 1
308 1 19 GLU QG 1 20 ALA H . . 4.020 3.751 3.260 4.022 0.002 9 0 "[ . 1]" 1
309 1 20 ALA H 1 20 ALA MB . . 3.420 2.617 2.530 2.750 . 0 0 "[ . 1]" 1
310 1 20 ALA H 1 21 VAL H . . 4.730 4.409 4.385 4.448 . 0 0 "[ . 1]" 1
311 1 20 ALA H 1 26 ALA MB . . 4.730 3.907 3.297 4.168 . 0 0 "[ . 1]" 1
312 1 20 ALA HA 1 21 VAL H . . 2.840 2.530 2.452 2.602 . 0 0 "[ . 1]" 1
313 1 20 ALA HA 1 21 VAL MG1 . . 4.690 3.637 3.554 3.793 . 0 0 "[ . 1]" 1
314 1 20 ALA HA 1 21 VAL MG2 . . 5.010 3.958 3.677 4.151 . 0 0 "[ . 1]" 1
315 1 20 ALA HA 1 22 ASP H . . 4.670 4.316 4.220 4.417 . 0 0 "[ . 1]" 1
316 1 20 ALA MB 1 21 VAL H . . 3.120 2.319 2.215 2.435 . 0 0 "[ . 1]" 1
317 1 20 ALA MB 1 21 VAL MG2 . . 4.020 3.452 3.266 3.559 . 0 0 "[ . 1]" 1
318 1 20 ALA MB 1 22 ASP H . . 3.060 2.594 2.522 2.684 . 0 0 "[ . 1]" 1
319 1 20 ALA MB 1 25 THR HA . . 4.470 4.025 3.945 4.092 . 0 0 "[ . 1]" 1
320 1 20 ALA MB 1 25 THR HB . . 3.730 1.980 1.884 2.076 . 0 0 "[ . 1]" 1
321 1 20 ALA MB 1 26 ALA H . . 3.220 2.493 2.402 2.588 . 0 0 "[ . 1]" 1
322 1 20 ALA MB 1 26 ALA HA . . 3.560 2.527 2.238 2.668 . 0 0 "[ . 1]" 1
323 1 20 ALA MB 1 26 ALA MB . . 3.180 1.892 1.833 1.962 . 0 0 "[ . 1]" 1
324 1 21 VAL H 1 21 VAL HB . . 3.710 3.678 3.650 3.704 . 0 0 "[ . 1]" 1
325 1 21 VAL H 1 22 ASP H . . 3.240 2.132 1.987 2.313 . 0 0 "[ . 1]" 1
326 1 21 VAL H 1 25 THR HA . . 5.500 5.175 4.976 5.364 . 0 0 "[ . 1]" 1
327 1 21 VAL H 1 26 ALA MB . . 4.840 4.728 4.612 4.821 . 0 0 "[ . 1]" 1
328 1 21 VAL HA 1 21 VAL MG1 . . 3.440 2.268 2.130 2.364 . 0 0 "[ . 1]" 1
329 1 21 VAL MG2 1 25 THR H . . 4.410 4.138 3.953 4.377 . 0 0 "[ . 1]" 1
330 1 21 VAL MG2 1 25 THR HB . . 4.550 2.858 2.488 3.150 . 0 0 "[ . 1]" 1
331 1 21 VAL MG2 1 26 ALA H . . 5.500 4.985 4.813 5.150 . 0 0 "[ . 1]" 1
332 1 22 ASP H 1 22 ASP QB . . 3.660 2.669 2.623 2.797 . 0 0 "[ . 1]" 1
333 1 22 ASP H 1 25 THR H . . 4.150 3.366 3.272 3.458 . 0 0 "[ . 1]" 1
334 1 22 ASP H 1 25 THR HA . . 4.910 4.770 4.680 4.887 . 0 0 "[ . 1]" 1
335 1 22 ASP H 1 25 THR HB . . 3.120 2.068 1.995 2.126 . 0 0 "[ . 1]" 1
336 1 22 ASP H 1 26 ALA MB . . 4.520 4.419 4.057 4.521 0.001 9 0 "[ . 1]" 1
337 1 22 ASP HA 1 23 ALA H . . 2.940 2.430 2.320 2.521 . 0 0 "[ . 1]" 1
338 1 22 ASP HA 1 24 ALA H . . 4.410 4.246 4.062 4.355 . 0 0 "[ . 1]" 1
339 1 22 ASP QB 1 23 ALA H . . 2.900 2.502 2.250 2.899 . 0 0 "[ . 1]" 1
340 1 22 ASP QB 1 24 ALA H . . 3.270 2.519 2.426 2.660 . 0 0 "[ . 1]" 1
341 1 22 ASP QB 1 25 THR H . . 4.400 2.574 2.448 2.795 . 0 0 "[ . 1]" 1
342 1 22 ASP QB 1 26 ALA H . . 4.820 4.541 4.424 4.638 . 0 0 "[ . 1]" 1
343 1 23 ALA H 1 23 ALA MB . . 2.880 2.092 2.026 2.231 . 0 0 "[ . 1]" 1
344 1 23 ALA H 1 24 ALA H . . 3.360 2.670 2.555 2.761 . 0 0 "[ . 1]" 1
345 1 24 ALA H 1 24 ALA MB . . 2.590 2.220 2.071 2.281 . 0 0 "[ . 1]" 1
346 1 24 ALA H 1 26 ALA H . . 4.440 4.256 4.085 4.414 . 0 0 "[ . 1]" 1
347 1 24 ALA H 1 26 ALA MB . . 5.460 5.245 5.055 5.432 . 0 0 "[ . 1]" 1
348 1 24 ALA H 1 27 GLU QB . . 5.030 4.550 4.429 4.643 . 0 0 "[ . 1]" 1
349 1 24 ALA HA 1 27 GLU H . . 3.600 3.477 3.312 3.598 . 0 0 "[ . 1]" 1
350 1 24 ALA HA 1 27 GLU HB2 . . 4.150 3.259 2.872 3.709 . 0 0 "[ . 1]" 1
351 1 24 ALA HA 1 27 GLU HB3 . . 4.150 2.458 2.269 2.704 . 0 0 "[ . 1]" 1
352 1 24 ALA HA 1 28 LYS H . . 4.280 4.147 4.011 4.278 . 0 0 "[ . 1]" 1
353 1 24 ALA MB 1 25 THR H . . 2.970 2.760 2.643 2.839 . 0 0 "[ . 1]" 1
354 1 25 THR H 1 25 THR HB . . 2.950 2.634 2.561 2.715 . 0 0 "[ . 1]" 1
355 1 25 THR H 1 26 ALA H . . 3.130 2.705 2.577 2.855 . 0 0 "[ . 1]" 1
356 1 25 THR H 1 26 ALA HA . . 5.480 5.313 5.221 5.425 . 0 0 "[ . 1]" 1
357 1 25 THR H 1 26 ALA MB . . 4.540 4.369 4.256 4.525 . 0 0 "[ . 1]" 1
358 1 25 THR H 1 28 LYS H . . 5.320 4.891 4.773 4.983 . 0 0 "[ . 1]" 1
359 1 25 THR HA 1 25 THR MG . . 3.540 2.309 2.227 2.368 . 0 0 "[ . 1]" 1
360 1 25 THR HA 1 28 LYS QB . . 4.240 3.340 3.166 3.581 . 0 0 "[ . 1]" 1
361 1 25 THR HB 1 26 ALA H . . 2.980 2.500 2.401 2.703 . 0 0 "[ . 1]" 1
362 1 25 THR MG 1 26 ALA H . . 3.830 3.520 3.371 3.736 . 0 0 "[ . 1]" 1
363 1 26 ALA H 1 26 ALA MB . . 2.780 2.128 2.045 2.215 . 0 0 "[ . 1]" 1
364 1 26 ALA H 1 27 GLU H . . 3.150 2.518 2.477 2.583 . 0 0 "[ . 1]" 1
365 1 26 ALA H 1 27 GLU HA . . 5.220 5.130 5.091 5.189 . 0 0 "[ . 1]" 1
366 1 26 ALA H 1 27 GLU HB2 . . 4.940 4.813 4.633 4.940 . 0 0 "[ . 1]" 1
367 1 26 ALA H 1 27 GLU HB3 . . 4.940 4.723 4.501 4.923 . 0 0 "[ . 1]" 1
368 1 26 ALA H 1 28 LYS H . . 4.440 4.024 3.915 4.171 . 0 0 "[ . 1]" 1
369 1 26 ALA HA 1 28 LYS H . . 4.540 3.987 3.854 4.099 . 0 0 "[ . 1]" 1
370 1 26 ALA HA 1 29 VAL H . . 3.740 3.472 3.369 3.624 . 0 0 "[ . 1]" 1
371 1 26 ALA HA 1 29 VAL HB . . 3.890 3.616 3.405 3.860 . 0 0 "[ . 1]" 1
372 1 26 ALA HA 1 29 VAL MG2 . . 4.110 3.325 3.047 3.524 . 0 0 "[ . 1]" 1
373 1 26 ALA MB 1 27 GLU H . . 3.040 2.606 2.506 2.706 . 0 0 "[ . 1]" 1
374 1 26 ALA MB 1 27 GLU QB . . 4.480 3.923 3.840 4.023 . 0 0 "[ . 1]" 1
375 1 26 ALA MB 1 28 LYS H . . 4.990 4.369 4.283 4.471 . 0 0 "[ . 1]" 1
376 1 26 ALA MB 1 29 VAL H . . 4.720 4.474 4.360 4.526 . 0 0 "[ . 1]" 1
377 1 26 ALA MB 1 52 PHE QE . . 3.940 3.651 3.148 3.930 . 0 0 "[ . 1]" 1
378 1 27 GLU H 1 27 GLU QB . . 2.890 2.238 2.218 2.250 . 0 0 "[ . 1]" 1
379 1 27 GLU H 1 27 GLU QG . . 4.230 3.970 3.933 4.047 . 0 0 "[ . 1]" 1
380 1 27 GLU H 1 28 LYS H . . 3.040 2.753 2.700 2.793 . 0 0 "[ . 1]" 1
381 1 27 GLU H 1 29 VAL H . . 4.790 4.401 4.247 4.540 . 0 0 "[ . 1]" 1
382 1 27 GLU HA 1 27 GLU QG . . 3.860 2.498 2.318 2.908 . 0 0 "[ . 1]" 1
383 1 27 GLU HA 1 29 VAL H . . 5.190 4.172 3.974 4.424 . 0 0 "[ . 1]" 1
384 1 27 GLU HA 1 30 LEU HB2 . . 3.510 2.175 2.002 2.360 . 0 0 "[ . 1]" 1
385 1 27 GLU HA 1 31 LYS H . . 4.210 3.334 3.185 3.621 . 0 0 "[ . 1]" 1
386 1 27 GLU QB 1 52 PHE HZ . . 4.930 3.102 2.161 3.652 . 0 0 "[ . 1]" 1
387 1 27 GLU QG 1 28 LYS H . . 4.180 3.858 3.577 4.174 . 0 0 "[ . 1]" 1
388 1 27 GLU QG 1 31 LYS QD . . 4.220 3.192 2.148 4.151 . 0 0 "[ . 1]" 1
389 1 27 GLU QG 1 31 LYS QG . . 4.480 3.787 3.655 4.146 . 0 0 "[ . 1]" 1
390 1 27 GLU QG 1 52 PHE QE . . 4.640 3.630 2.881 4.458 . 0 0 "[ . 1]" 1
391 1 28 LYS H 1 28 LYS QB . . 2.680 2.225 2.191 2.253 . 0 0 "[ . 1]" 1
392 1 28 LYS H 1 28 LYS QG . . 4.550 3.710 2.620 4.037 . 0 0 "[ . 1]" 1
393 1 28 LYS H 1 29 VAL H . . 3.110 2.736 2.695 2.805 . 0 0 "[ . 1]" 1
394 1 28 LYS H 1 30 LEU H . . 4.380 4.088 3.892 4.314 . 0 0 "[ . 1]" 1
395 1 28 LYS H 1 31 LYS H . . 5.140 4.779 4.669 4.978 . 0 0 "[ . 1]" 1
396 1 28 LYS H 1 31 LYS QG . . 5.340 4.595 4.496 4.763 . 0 0 "[ . 1]" 1
397 1 28 LYS HA 1 28 LYS QD . . 4.570 3.053 2.123 4.043 . 0 0 "[ . 1]" 1
398 1 28 LYS HA 1 31 LYS H . . 4.190 4.186 4.179 4.190 0.000 7 0 "[ . 1]" 1
399 1 28 LYS HA 1 31 LYS QB . . 4.590 4.111 4.005 4.218 . 0 0 "[ . 1]" 1
400 1 28 LYS QG 1 31 LYS QG . . 5.090 4.140 3.822 4.960 . 0 0 "[ . 1]" 1
401 1 29 VAL H 1 29 VAL HB . . 2.900 2.546 2.498 2.607 . 0 0 "[ . 1]" 1
402 1 29 VAL H 1 30 LEU H . . 3.100 2.369 2.310 2.419 . 0 0 "[ . 1]" 1
403 1 29 VAL H 1 30 LEU HA . . 5.190 5.013 4.956 5.055 . 0 0 "[ . 1]" 1
404 1 29 VAL H 1 30 LEU HB2 . . 4.560 4.473 4.246 4.561 0.001 3 0 "[ . 1]" 1
405 1 29 VAL HA 1 29 VAL MG2 . . 3.150 2.363 2.298 2.440 . 0 0 "[ . 1]" 1
406 1 29 VAL HA 1 32 GLN H . . 3.690 3.463 3.293 3.608 . 0 0 "[ . 1]" 1
407 1 29 VAL HA 1 32 GLN QB . . 3.810 2.684 2.366 2.892 . 0 0 "[ . 1]" 1
408 1 29 VAL HA 1 33 TYR H . . 4.400 4.329 4.179 4.400 . 0 0 "[ . 1]" 1
409 1 29 VAL HB 1 30 LEU H . . 3.110 2.643 2.408 2.789 . 0 0 "[ . 1]" 1
410 1 29 VAL HB 1 30 LEU HG . . 4.530 3.710 3.529 4.523 . 0 0 "[ . 1]" 1
411 1 29 VAL MG1 1 32 GLN H . . 4.560 4.391 4.212 4.512 . 0 0 "[ . 1]" 1
412 1 30 LEU HA 1 33 TYR HB2 . . 4.220 3.125 2.901 3.330 . 0 0 "[ . 1]" 1
413 1 30 LEU HA 1 33 TYR HB3 . . 3.930 3.040 2.867 3.197 . 0 0 "[ . 1]" 1
414 1 30 LEU HB3 1 31 LYS H . . 3.470 3.432 3.254 3.471 0.001 3 0 "[ . 1]" 1
415 1 30 LEU HB3 1 33 TYR H . . 5.200 5.132 5.034 5.198 . 0 0 "[ . 1]" 1
416 1 30 LEU HB3 1 34 ALA H . . 5.320 5.220 4.987 5.321 0.001 7 0 "[ . 1]" 1
417 1 31 LYS H 1 31 LYS QE . . 4.730 4.165 3.325 4.723 . 0 0 "[ . 1]" 1
418 1 31 LYS H 1 31 LYS HG2 . . 3.830 2.395 2.325 2.487 . 0 0 "[ . 1]" 1
419 1 31 LYS H 1 31 LYS QG . . 3.120 2.365 2.296 2.447 . 0 0 "[ . 1]" 1
420 1 31 LYS H 1 31 LYS HG3 . . 3.830 3.653 3.495 3.765 . 0 0 "[ . 1]" 1
421 1 31 LYS H 1 32 GLN H . . 3.160 2.675 2.546 2.753 . 0 0 "[ . 1]" 1
422 1 31 LYS H 1 32 GLN QB . . 4.760 4.502 4.334 4.748 . 0 0 "[ . 1]" 1
423 1 31 LYS H 1 33 TYR H . . 4.660 4.184 4.022 4.306 . 0 0 "[ . 1]" 1
424 1 31 LYS H 1 43 TRP HH2 . . 4.450 4.153 3.739 4.447 . 0 0 "[ . 1]" 1
425 1 31 LYS H 1 43 TRP HZ3 . . 5.100 4.567 4.394 4.967 . 0 0 "[ . 1]" 1
426 1 31 LYS HA 1 31 LYS QG . . 3.650 3.333 3.330 3.340 . 0 0 "[ . 1]" 1
427 1 31 LYS HA 1 34 ALA MB . . 3.520 3.337 3.087 3.519 . 0 0 "[ . 1]" 1
428 1 31 LYS HA 1 43 TRP HH2 . . 3.940 2.494 2.198 2.690 . 0 0 "[ . 1]" 1
429 1 31 LYS HA 1 43 TRP HZ2 . . 3.910 2.988 2.476 3.531 . 0 0 "[ . 1]" 1
430 1 31 LYS QE 1 31 LYS QG . . 3.080 2.309 2.125 2.798 . 0 0 "[ . 1]" 1
431 1 31 LYS QG 1 32 GLN H . . 4.250 2.287 2.150 2.407 . 0 0 "[ . 1]" 1
432 1 31 LYS QG 1 33 TYR H . . 4.920 4.400 4.333 4.484 . 0 0 "[ . 1]" 1
433 1 31 LYS HG2 1 32 GLN H . . 5.080 2.453 2.212 2.609 . 0 0 "[ . 1]" 1
434 1 31 LYS HG3 1 32 GLN H . . 5.080 2.793 2.558 3.010 . 0 0 "[ . 1]" 1
435 1 32 GLN H 1 32 GLN QB . . 2.780 2.258 2.170 2.349 . 0 0 "[ . 1]" 1
436 1 32 GLN H 1 32 GLN QG . . 4.120 3.524 2.546 4.082 . 0 0 "[ . 1]" 1
437 1 32 GLN H 1 33 TYR H . . 3.190 2.456 2.371 2.554 . 0 0 "[ . 1]" 1
438 1 32 GLN H 1 33 TYR HB2 . . 4.800 4.675 4.545 4.800 0.000 9 0 "[ . 1]" 1
439 1 32 GLN H 1 33 TYR HB3 . . 5.030 4.789 4.716 4.887 . 0 0 "[ . 1]" 1
440 1 32 GLN H 1 34 ALA MB . . 5.410 5.134 5.019 5.264 . 0 0 "[ . 1]" 1
441 1 32 GLN H 1 35 ASN QB . . 4.790 4.651 4.476 4.779 . 0 0 "[ . 1]" 1
442 1 32 GLN HA 1 32 GLN HE21 . . 5.020 2.820 2.499 3.339 . 0 0 "[ . 1]" 1
443 1 32 GLN HA 1 32 GLN QE . . 4.310 2.682 2.410 3.091 . 0 0 "[ . 1]" 1
444 1 32 GLN HA 1 32 GLN HE22 . . 5.020 3.407 3.080 3.835 . 0 0 "[ . 1]" 1
445 1 32 GLN HA 1 32 GLN QG . . 3.810 2.766 2.559 3.007 . 0 0 "[ . 1]" 1
446 1 32 GLN HA 1 35 ASN H . . 3.910 3.543 3.366 3.729 . 0 0 "[ . 1]" 1
447 1 32 GLN HA 1 35 ASN QB . . 3.480 2.486 2.304 2.737 . 0 0 "[ . 1]" 1
448 1 32 GLN HA 1 35 ASN QD . . 4.630 3.796 3.005 4.509 . 0 0 "[ . 1]" 1
449 1 32 GLN HA 1 36 ASP H . . 4.010 3.691 3.426 3.892 . 0 0 "[ . 1]" 1
450 1 32 GLN QB 1 33 TYR H . . 3.160 2.700 2.583 2.867 . 0 0 "[ . 1]" 1
451 1 32 GLN QB 1 34 ALA H . . 4.950 4.898 4.750 4.952 0.002 3 0 "[ . 1]" 1
452 1 32 GLN HE21 1 35 ASN QB . . 4.470 3.597 2.548 4.465 . 0 0 "[ . 1]" 1
453 1 32 GLN HE22 1 32 GLN QG . . 3.710 3.287 3.223 3.423 . 0 0 "[ . 1]" 1
454 1 32 GLN HE22 1 35 ASN QB . . 4.470 3.632 2.729 4.420 . 0 0 "[ . 1]" 1
455 1 33 TYR H 1 33 TYR HB2 . . 3.000 2.433 2.336 2.523 . 0 0 "[ . 1]" 1
456 1 33 TYR H 1 33 TYR HB3 . . 3.000 2.635 2.539 2.744 . 0 0 "[ . 1]" 1
457 1 33 TYR H 1 33 TYR QD . . 4.430 4.181 4.136 4.202 . 0 0 "[ . 1]" 1
458 1 33 TYR H 1 34 ALA H . . 3.090 2.761 2.609 2.942 . 0 0 "[ . 1]" 1
459 1 33 TYR H 1 34 ALA MB . . 4.650 4.372 4.228 4.519 . 0 0 "[ . 1]" 1
460 1 33 TYR H 1 35 ASN H . . 4.360 4.240 4.103 4.348 . 0 0 "[ . 1]" 1
461 1 33 TYR H 1 36 ASP H . . 5.260 4.751 4.620 4.872 . 0 0 "[ . 1]" 1
462 1 33 TYR H 1 36 ASP QB . . 5.340 4.846 4.681 4.999 . 0 0 "[ . 1]" 1
463 1 33 TYR HA 1 33 TYR QD . . 4.010 3.073 2.996 3.133 . 0 0 "[ . 1]" 1
464 1 33 TYR HA 1 36 ASP HB2 . . 4.040 3.802 3.437 4.039 . 0 0 "[ . 1]" 1
465 1 33 TYR HA 1 36 ASP HB3 . . 4.040 3.365 2.995 3.714 . 0 0 "[ . 1]" 1
466 1 33 TYR HA 1 37 ASN HD21 . . 4.640 4.135 3.909 4.338 . 0 0 "[ . 1]" 1
467 1 33 TYR HA 1 37 ASN HD22 . . 4.720 4.497 4.201 4.720 . 6 0 "[ . 1]" 1
468 1 33 TYR HB2 1 34 ALA H . . 3.900 3.747 3.595 3.840 . 0 0 "[ . 1]" 1
469 1 33 TYR HB3 1 34 ALA H . . 3.110 2.459 2.254 2.586 . 0 0 "[ . 1]" 1
470 1 33 TYR QD 1 34 ALA H . . 3.660 3.375 3.068 3.550 . 0 0 "[ . 1]" 1
471 1 33 TYR QD 1 34 ALA HA . . 4.230 3.017 2.806 3.143 . 0 0 "[ . 1]" 1
472 1 33 TYR QD 1 34 ALA MB . . 4.690 3.637 3.440 3.802 . 0 0 "[ . 1]" 1
473 1 33 TYR QD 1 35 ASN H . . 5.500 5.433 5.203 5.498 . 0 0 "[ . 1]" 1
474 1 33 TYR QD 1 39 ILE MD . . 5.160 4.314 3.714 4.876 . 0 0 "[ . 1]" 1
475 1 33 TYR QE 1 39 ILE MD . . 5.160 4.682 4.197 5.153 . 0 0 "[ . 1]" 1
476 1 34 ALA H 1 34 ALA MB . . 2.730 2.076 2.033 2.159 . 0 0 "[ . 1]" 1
477 1 34 ALA H 1 35 ASN QB . . 4.420 4.331 4.219 4.421 0.001 3 0 "[ . 1]" 1
478 1 34 ALA H 1 43 TRP HH2 . . 4.130 3.849 3.456 4.101 . 0 0 "[ . 1]" 1
479 1 34 ALA H 1 43 TRP HZ2 . . 4.570 4.100 3.794 4.377 . 0 0 "[ . 1]" 1
480 1 34 ALA HA 1 37 ASN HB2 . . 4.220 2.902 2.507 3.136 . 0 0 "[ . 1]" 1
481 1 34 ALA HA 1 37 ASN HB3 . . 4.820 4.551 4.086 4.821 0.001 5 0 "[ . 1]" 1
482 1 34 ALA HA 1 37 ASN HD21 . . 4.920 3.678 2.870 4.300 . 0 0 "[ . 1]" 1
483 1 34 ALA HA 1 37 ASN HD22 . . 5.350 4.786 4.363 5.128 . 0 0 "[ . 1]" 1
484 1 34 ALA HA 1 39 ILE MD . . 4.130 2.452 1.987 3.069 . 0 0 "[ . 1]" 1
485 1 34 ALA HA 1 39 ILE QG . . 4.600 4.036 3.436 4.600 . 3 0 "[ . 1]" 1
486 1 34 ALA MB 1 35 ASN H . . 3.020 2.523 2.352 2.635 . 0 0 "[ . 1]" 1
487 1 34 ALA MB 1 36 ASP H . . 4.700 4.517 4.337 4.701 0.001 7 0 "[ . 1]" 1
488 1 34 ALA MB 1 37 ASN H . . 5.000 4.454 4.401 4.530 . 0 0 "[ . 1]" 1
489 1 34 ALA MB 1 39 ILE MG . . 3.580 2.651 2.532 2.813 . 0 0 "[ . 1]" 1
490 1 34 ALA MB 1 43 TRP HE1 . . 4.070 3.865 3.600 4.055 . 0 0 "[ . 1]" 1
491 1 34 ALA MB 1 43 TRP HH2 . . 3.710 2.644 2.270 3.004 . 0 0 "[ . 1]" 1
492 1 34 ALA MB 1 43 TRP HZ2 . . 3.410 2.062 1.938 2.298 . 0 0 "[ . 1]" 1
493 1 34 ALA MB 1 54 VAL QG . . 4.110 3.215 2.896 3.460 . 0 0 "[ . 1]" 1
494 1 35 ASN H 1 35 ASN QB . . 2.670 2.218 2.168 2.254 . 0 0 "[ . 1]" 1
495 1 35 ASN H 1 35 ASN QD . . 4.500 4.290 3.300 4.500 . 2 0 "[ . 1]" 1
496 1 35 ASN H 1 36 ASP H . . 3.200 2.821 2.756 2.932 . 0 0 "[ . 1]" 1
497 1 35 ASN H 1 37 ASN H . . 4.600 4.112 4.032 4.182 . 0 0 "[ . 1]" 1
498 1 35 ASN H 1 39 ILE MG . . 5.500 5.367 5.140 5.503 0.003 7 0 "[ . 1]" 1
499 1 35 ASN H 1 43 TRP HH2 . . 5.240 5.021 4.602 5.240 . 6 0 "[ . 1]" 1
500 1 35 ASN H 1 43 TRP HZ2 . . 4.940 3.950 3.655 4.266 . 0 0 "[ . 1]" 1
501 1 35 ASN HA 1 35 ASN HD21 . . 4.910 4.048 3.561 4.528 . 0 0 "[ . 1]" 1
502 1 35 ASN HA 1 35 ASN QD . . 4.160 3.744 3.364 4.153 . 0 0 "[ . 1]" 1
503 1 35 ASN HA 1 35 ASN HD22 . . 4.910 4.423 4.136 4.827 . 0 0 "[ . 1]" 1
504 1 35 ASN HA 1 38 GLY H . . 3.990 3.396 3.006 3.744 . 0 0 "[ . 1]" 1
505 1 35 ASN HA 1 38 GLY QA . . 4.840 3.828 3.472 3.985 . 0 0 "[ . 1]" 1
506 1 35 ASN HA 1 39 ILE H . . 3.810 2.881 2.615 3.098 . 0 0 "[ . 1]" 1
507 1 35 ASN HA 1 39 ILE MD . . 5.280 4.941 4.703 5.157 . 0 0 "[ . 1]" 1
508 1 35 ASN QB 1 36 ASP H . . 2.950 2.523 2.315 2.648 . 0 0 "[ . 1]" 1
509 1 35 ASN QB 1 38 GLY H . . 5.020 4.784 4.479 5.010 . 0 0 "[ . 1]" 1
510 1 35 ASN QB 1 39 ILE H . . 5.130 4.839 4.667 5.061 . 0 0 "[ . 1]" 1
511 1 36 ASP H 1 36 ASP QB . . 2.900 2.225 2.166 2.254 . 0 0 "[ . 1]" 1
512 1 36 ASP H 1 37 ASN H . . 3.190 2.704 2.661 2.749 . 0 0 "[ . 1]" 1
513 1 36 ASP H 1 37 ASN HD21 . . 4.600 3.921 3.718 4.064 . 0 0 "[ . 1]" 1
514 1 36 ASP H 1 37 ASN HD22 . . 5.500 5.387 5.189 5.500 0.000 10 0 "[ . 1]" 1
515 1 36 ASP H 1 38 GLY H . . 4.520 4.066 3.912 4.254 . 0 0 "[ . 1]" 1
516 1 36 ASP QB 1 37 ASN H . . 4.070 2.820 2.597 2.934 . 0 0 "[ . 1]" 1
517 1 36 ASP QB 1 37 ASN HD21 . . 4.210 2.563 2.335 3.025 . 0 0 "[ . 1]" 1
518 1 36 ASP QB 1 37 ASN HD22 . . 4.760 3.420 3.064 3.567 . 0 0 "[ . 1]" 1
519 1 37 ASN H 1 37 ASN HB2 . . 3.240 2.339 2.283 2.409 . 0 0 "[ . 1]" 1
520 1 37 ASN H 1 37 ASN HD21 . . 3.680 2.219 1.936 2.568 . 0 0 "[ . 1]" 1
521 1 37 ASN H 1 37 ASN HD22 . . 4.200 3.850 3.637 4.036 . 0 0 "[ . 1]" 1
522 1 37 ASN H 1 38 GLY H . . 3.140 2.474 2.254 2.664 . 0 0 "[ . 1]" 1
523 1 37 ASN H 1 39 ILE H . . 4.210 3.530 3.194 3.772 . 0 0 "[ . 1]" 1
524 1 37 ASN H 1 39 ILE MD . . 4.920 3.765 3.520 4.024 . 0 0 "[ . 1]" 1
525 1 37 ASN HA 1 37 ASN HD22 . . 5.060 3.895 3.636 4.249 . 0 0 "[ . 1]" 1
526 1 37 ASN HB2 1 37 ASN HD22 . . 3.720 3.602 3.486 3.697 . 0 0 "[ . 1]" 1
527 1 37 ASN HB2 1 38 GLY H . . 4.390 3.535 3.195 4.007 . 0 0 "[ . 1]" 1
528 1 37 ASN HB2 1 39 ILE H . . 4.640 3.569 3.365 3.875 . 0 0 "[ . 1]" 1
529 1 37 ASN HB2 1 39 ILE MD . . 4.300 2.122 1.981 2.477 . 0 0 "[ . 1]" 1
530 1 37 ASN HB2 1 39 ILE QG . . 4.800 3.153 2.248 4.270 . 0 0 "[ . 1]" 1
531 1 37 ASN HB3 1 38 GLY H . . 4.400 4.105 3.906 4.393 . 0 0 "[ . 1]" 1
532 1 37 ASN HB3 1 39 ILE H . . 4.760 4.377 3.988 4.717 . 0 0 "[ . 1]" 1
533 1 37 ASN HB3 1 39 ILE MD . . 4.430 2.621 1.987 3.426 . 0 0 "[ . 1]" 1
534 1 37 ASN HB3 1 39 ILE QG . . 4.730 3.359 2.561 4.081 . 0 0 "[ . 1]" 1
535 1 37 ASN HD21 1 38 GLY H . . 5.150 4.492 4.240 5.029 . 0 0 "[ . 1]" 1
536 1 38 GLY H 1 38 GLY QA . . 2.770 2.248 2.195 2.285 . 0 0 "[ . 1]" 1
537 1 38 GLY H 1 39 ILE H . . 3.290 2.401 2.166 2.755 . 0 0 "[ . 1]" 1
538 1 38 GLY H 1 39 ILE HB . . 5.200 4.710 4.459 5.063 . 0 0 "[ . 1]" 1
539 1 38 GLY H 1 39 ILE MD . . 5.280 4.198 3.100 5.115 . 0 0 "[ . 1]" 1
540 1 39 ILE H 1 39 ILE HB . . 3.020 2.572 2.509 2.631 . 0 0 "[ . 1]" 1
541 1 39 ILE H 1 39 ILE MG . . 3.950 3.817 3.773 3.848 . 0 0 "[ . 1]" 1
542 1 39 ILE H 1 40 ASP H . . 4.570 4.416 4.248 4.550 . 0 0 "[ . 1]" 1
543 1 39 ILE HA 1 39 ILE MD . . 3.920 3.676 3.324 3.882 . 0 0 "[ . 1]" 1
544 1 39 ILE HA 1 39 ILE QG . . 3.910 2.391 2.303 2.458 . 0 0 "[ . 1]" 1
545 1 39 ILE HA 1 39 ILE MG . . 3.450 2.312 2.296 2.354 . 0 0 "[ . 1]" 1
546 1 39 ILE HA 1 40 ASP H . . 2.660 2.153 2.140 2.169 . 0 0 "[ . 1]" 1
547 1 39 ILE HB 1 40 ASP H . . 4.360 4.180 4.098 4.310 . 0 0 "[ . 1]" 1
548 1 39 ILE MD 1 56 GLU QG . . 5.110 4.698 4.373 5.087 . 0 0 "[ . 1]" 1
549 1 39 ILE MG 1 40 ASP H . . 3.280 2.480 2.225 2.699 . 0 0 "[ . 1]" 1
550 1 39 ILE MG 1 40 ASP HA . . 4.690 3.416 3.289 3.516 . 0 0 "[ . 1]" 1
551 1 39 ILE MG 1 41 GLY H . . 4.290 4.234 4.130 4.290 0.000 7 0 "[ . 1]" 1
552 1 39 ILE MG 1 54 VAL QG . . 3.610 2.569 2.226 2.826 . 0 0 "[ . 1]" 1
553 1 39 ILE MG 1 56 GLU H . . 5.440 4.901 4.535 5.205 . 0 0 "[ . 1]" 1
554 1 39 ILE MG 1 56 GLU QB . . 4.720 3.716 3.382 3.964 . 0 0 "[ . 1]" 1
555 1 39 ILE MG 1 56 GLU QG . . 3.780 2.157 1.841 2.419 . 0 0 "[ . 1]" 1
556 1 40 ASP H 1 40 ASP HB2 . . 4.070 3.616 2.914 3.983 . 0 0 "[ . 1]" 1
557 1 40 ASP H 1 40 ASP QB . . 3.410 3.074 2.826 3.336 . 0 0 "[ . 1]" 1
558 1 40 ASP H 1 40 ASP HB3 . . 4.070 3.401 3.102 3.930 . 0 0 "[ . 1]" 1
559 1 40 ASP H 1 41 GLY H . . 4.220 4.135 4.078 4.202 . 0 0 "[ . 1]" 1
560 1 40 ASP H 1 54 VAL QG . . 4.930 4.401 4.167 4.630 . 0 0 "[ . 1]" 1
561 1 40 ASP H 1 56 GLU QG . . 3.800 3.119 2.488 3.380 . 0 0 "[ . 1]" 1
562 1 40 ASP HA 1 41 GLY H . . 2.730 2.157 2.148 2.170 . 0 0 "[ . 1]" 1
563 1 40 ASP HA 1 43 TRP HE1 . . 4.180 2.741 2.125 3.952 . 0 0 "[ . 1]" 1
564 1 40 ASP QB 1 41 GLY H . . 3.730 3.340 3.131 3.729 . 0 0 "[ . 1]" 1
565 1 40 ASP HB2 1 41 GLY H . . 4.350 3.711 3.259 4.349 . 0 0 "[ . 1]" 1
566 1 40 ASP HB3 1 41 GLY H . . 4.350 4.032 3.231 4.257 . 0 0 "[ . 1]" 1
567 1 41 GLY H 1 43 TRP HE1 . . 3.550 2.943 2.647 3.512 . 0 0 "[ . 1]" 1
568 1 41 GLY H 1 54 VAL QG . . 3.430 2.841 2.368 3.417 . 0 0 "[ . 1]" 1
569 1 41 GLY H 1 56 GLU QG . . 4.520 4.275 3.930 4.507 . 0 0 "[ . 1]" 1
570 1 41 GLY HA2 1 54 VAL QG . . 4.590 4.179 3.922 4.323 . 0 0 "[ . 1]" 1
571 1 41 GLY HA2 1 56 GLU QG . . 4.700 4.421 3.767 4.701 0.001 3 0 "[ . 1]" 1
572 1 41 GLY HA3 1 42 GLU H . . 2.960 2.215 2.146 2.325 . 0 0 "[ . 1]" 1
573 1 41 GLY HA3 1 54 VAL QG . . 4.180 3.099 2.764 3.382 . 0 0 "[ . 1]" 1
574 1 41 GLY HA3 1 55 THR H . . 5.350 4.948 4.467 5.347 . 0 0 "[ . 1]" 1
575 1 41 GLY HA3 1 56 GLU HA . . 3.650 2.755 2.497 3.190 . 0 0 "[ . 1]" 1
576 1 41 GLY HA3 1 56 GLU QG . . 4.670 3.144 2.741 3.392 . 0 0 "[ . 1]" 1
577 1 42 GLU H 1 43 TRP H . . 4.490 4.241 4.111 4.483 . 0 0 "[ . 1]" 1
578 1 42 GLU H 1 43 TRP HD1 . . 5.030 4.923 4.709 5.031 0.001 10 0 "[ . 1]" 1
579 1 42 GLU H 1 54 VAL QG . . 3.920 3.256 3.003 3.442 . 0 0 "[ . 1]" 1
580 1 42 GLU H 1 55 THR H . . 4.220 3.627 3.288 3.951 . 0 0 "[ . 1]" 1
581 1 42 GLU H 1 55 THR HB . . 4.070 3.753 3.246 4.036 . 0 0 "[ . 1]" 1
582 1 42 GLU H 1 55 THR MG . . 4.890 4.793 4.452 4.890 0.000 3 0 "[ . 1]" 1
583 1 42 GLU H 1 56 GLU HA . . 3.660 3.627 3.556 3.661 0.001 9 0 "[ . 1]" 1
584 1 42 GLU H 1 56 GLU QG . . 4.710 4.649 4.510 4.711 0.001 9 0 "[ . 1]" 1
585 1 42 GLU HA 1 43 TRP H . . 2.790 2.198 2.149 2.238 . 0 0 "[ . 1]" 1
586 1 42 GLU HB2 1 55 THR HB . . 4.960 3.314 2.002 4.698 . 0 0 "[ . 1]" 1
587 1 42 GLU HB3 1 55 THR HB . . 4.960 2.918 2.141 4.498 . 0 0 "[ . 1]" 1
588 1 42 GLU QG 1 43 TRP H . . 4.220 3.761 3.283 4.197 . 0 0 "[ . 1]" 1
589 1 43 TRP H 1 43 TRP HB2 . . 3.210 2.248 2.203 2.336 . 0 0 "[ . 1]" 1
590 1 43 TRP H 1 43 TRP HB3 . . 3.700 3.530 3.499 3.593 . 0 0 "[ . 1]" 1
591 1 43 TRP H 1 43 TRP HD1 . . 3.450 2.898 2.658 3.057 . 0 0 "[ . 1]" 1
592 1 43 TRP H 1 43 TRP HE1 . . 5.500 5.354 5.136 5.477 . 0 0 "[ . 1]" 1
593 1 43 TRP HA 1 44 THR H . . 2.880 2.148 2.140 2.165 . 0 0 "[ . 1]" 1
594 1 43 TRP HA 1 54 VAL HA . . 3.560 2.417 2.134 2.629 . 0 0 "[ . 1]" 1
595 1 43 TRP HA 1 54 VAL QG . . 4.510 2.403 2.236 2.666 . 0 0 "[ . 1]" 1
596 1 43 TRP HA 1 55 THR H . . 4.220 3.868 3.619 4.069 . 0 0 "[ . 1]" 1
597 1 43 TRP HB3 1 44 THR H . . 3.810 3.445 3.249 3.607 . 0 0 "[ . 1]" 1
598 1 43 TRP HB3 1 52 PHE QD . . 4.880 4.603 4.390 4.858 . 0 0 "[ . 1]" 1
599 1 43 TRP HD1 1 54 VAL QG . . 4.830 2.853 2.515 3.168 . 0 0 "[ . 1]" 1
600 1 43 TRP HE1 1 54 VAL MG1 . . 4.330 3.431 2.757 4.015 . 0 0 "[ . 1]" 1
601 1 43 TRP HE1 1 54 VAL QG . . 3.240 2.670 2.375 2.899 . 0 0 "[ . 1]" 1
602 1 43 TRP HE1 1 54 VAL MG2 . . 4.330 3.082 2.399 3.673 . 0 0 "[ . 1]" 1
603 1 43 TRP HZ2 1 54 VAL QG . . 4.800 3.109 2.891 3.355 . 0 0 "[ . 1]" 1
604 1 44 THR H 1 44 THR MG . . 3.990 2.937 2.521 3.881 . 0 0 "[ . 1]" 1
605 1 44 THR H 1 45 TYR H . . 4.610 4.437 4.329 4.515 . 0 0 "[ . 1]" 1
606 1 44 THR H 1 52 PHE HA . . 5.420 4.905 4.597 5.154 . 0 0 "[ . 1]" 1
607 1 44 THR H 1 52 PHE QD . . 4.830 4.713 4.536 4.828 . 0 0 "[ . 1]" 1
608 1 44 THR H 1 53 THR HB . . 4.720 4.368 4.228 4.580 . 0 0 "[ . 1]" 1
609 1 44 THR H 1 53 THR MG . . 4.790 4.739 4.646 4.790 0.000 3 0 "[ . 1]" 1
610 1 44 THR H 1 54 VAL HA . . 4.140 2.995 2.527 3.335 . 0 0 "[ . 1]" 1
611 1 44 THR H 1 55 THR H . . 4.820 4.430 4.158 4.816 . 0 0 "[ . 1]" 1
612 1 44 THR HA 1 44 THR MG . . 3.300 2.334 2.039 2.438 . 0 0 "[ . 1]" 1
613 1 44 THR HA 1 45 TYR H . . 2.800 2.327 2.162 2.523 . 0 0 "[ . 1]" 1
614 1 44 THR HB 1 45 TYR H . . 3.260 2.856 2.226 3.245 . 0 0 "[ . 1]" 1
615 1 44 THR HB 1 53 THR H . . 5.310 4.384 3.046 4.982 . 0 0 "[ . 1]" 1
616 1 44 THR MG 1 45 TYR H . . 4.110 3.550 1.964 4.109 . 0 0 "[ . 1]" 1
617 1 44 THR MG 1 53 THR H . . 4.730 4.499 4.240 4.696 . 0 0 "[ . 1]" 1
618 1 44 THR MG 1 53 THR HB . . 4.380 4.056 3.734 4.379 . 0 0 "[ . 1]" 1
619 1 45 TYR H 1 45 TYR HB2 . . 4.090 3.885 3.740 4.001 . 0 0 "[ . 1]" 1
620 1 45 TYR H 1 45 TYR QB . . 3.240 3.049 2.846 3.176 . 0 0 "[ . 1]" 1
621 1 45 TYR H 1 45 TYR HB3 . . 4.090 3.189 2.939 3.338 . 0 0 "[ . 1]" 1
622 1 45 TYR H 1 46 ASP H . . 4.840 4.348 4.249 4.473 . 0 0 "[ . 1]" 1
623 1 45 TYR H 1 52 PHE HA . . 5.080 4.925 4.711 5.030 . 0 0 "[ . 1]" 1
624 1 45 TYR HA 1 46 ASP H . . 2.960 2.218 2.174 2.339 . 0 0 "[ . 1]" 1
625 1 45 TYR HA 1 52 PHE HA . . 3.570 2.411 2.120 2.557 . 0 0 "[ . 1]" 1
626 1 45 TYR HA 1 52 PHE QB . . 4.950 3.996 3.814 4.253 . 0 0 "[ . 1]" 1
627 1 45 TYR HA 1 52 PHE QD . . 5.500 3.152 2.314 3.684 . 0 0 "[ . 1]" 1
628 1 45 TYR HA 1 53 THR H . . 4.030 3.540 3.229 3.860 . 0 0 "[ . 1]" 1
629 1 45 TYR QB 1 46 ASP H . . 4.200 2.913 2.589 3.072 . 0 0 "[ . 1]" 1
630 1 45 TYR QB 1 52 PHE QD . . 5.340 2.436 2.050 2.943 . 0 0 "[ . 1]" 1
631 1 45 TYR QB 1 52 PHE QE . . 4.730 2.245 1.944 2.595 . 0 0 "[ . 1]" 1
632 1 46 ASP H 1 46 ASP HB2 . . 3.810 2.565 2.364 3.002 . 0 0 "[ . 1]" 1
633 1 46 ASP H 1 46 ASP QB . . 3.160 2.417 2.327 2.575 . 0 0 "[ . 1]" 1
634 1 46 ASP H 1 46 ASP HB3 . . 3.810 3.231 2.754 3.556 . 0 0 "[ . 1]" 1
635 1 46 ASP H 1 47 ASP H . . 4.710 4.411 4.391 4.442 . 0 0 "[ . 1]" 1
636 1 46 ASP H 1 47 ASP HA . . 5.500 4.923 4.843 4.975 . 0 0 "[ . 1]" 1
637 1 46 ASP H 1 50 LYS HA . . 5.500 4.327 4.178 4.445 . 0 0 "[ . 1]" 1
638 1 46 ASP H 1 51 THR H . . 4.030 3.136 3.034 3.215 . 0 0 "[ . 1]" 1
639 1 46 ASP H 1 51 THR HB . . 4.820 4.806 4.763 4.821 0.001 8 0 "[ . 1]" 1
640 1 46 ASP H 1 51 THR MG . . 5.180 5.093 5.024 5.179 . 0 0 "[ . 1]" 1
641 1 46 ASP H 1 52 PHE HA . . 4.040 3.491 3.412 3.605 . 0 0 "[ . 1]" 1
642 1 46 ASP H 1 53 THR H . . 5.370 5.091 4.911 5.241 . 0 0 "[ . 1]" 1
643 1 46 ASP HA 1 47 ASP H . . 2.760 2.171 2.158 2.198 . 0 0 "[ . 1]" 1
644 1 46 ASP HA 1 48 ALA H . . 3.830 3.752 3.690 3.817 . 0 0 "[ . 1]" 1
645 1 46 ASP QB 1 47 ASP H . . 4.080 3.391 3.211 3.660 . 0 0 "[ . 1]" 1
646 1 46 ASP QB 1 48 ALA H . . 4.870 3.363 3.049 3.856 . 0 0 "[ . 1]" 1
647 1 46 ASP QB 1 49 THR H . . 4.190 2.449 2.109 2.979 . 0 0 "[ . 1]" 1
648 1 46 ASP QB 1 50 LYS H . . 5.290 2.816 2.703 3.096 . 0 0 "[ . 1]" 1
649 1 46 ASP QB 1 51 THR H . . 3.610 2.446 2.321 2.657 . 0 0 "[ . 1]" 1
650 1 46 ASP QB 1 51 THR HB . . 3.750 3.505 3.287 3.712 . 0 0 "[ . 1]" 1
651 1 46 ASP HB2 1 49 THR H . . 5.000 3.991 3.712 4.367 . 0 0 "[ . 1]" 1
652 1 46 ASP HB2 1 51 THR H . . 4.380 3.066 2.408 3.875 . 0 0 "[ . 1]" 1
653 1 46 ASP HB2 1 51 THR HB . . 4.520 3.916 3.376 4.518 . 0 0 "[ . 1]" 1
654 1 46 ASP HB3 1 49 THR H . . 5.000 2.475 2.120 3.048 . 0 0 "[ . 1]" 1
655 1 46 ASP HB3 1 51 THR H . . 4.380 2.852 2.339 3.162 . 0 0 "[ . 1]" 1
656 1 46 ASP HB3 1 51 THR HB . . 4.520 4.253 3.682 4.521 0.001 7 0 "[ . 1]" 1
657 1 47 ASP H 1 47 ASP HB2 . . 3.190 2.612 2.491 2.756 . 0 0 "[ . 1]" 1
658 1 47 ASP H 1 47 ASP HB3 . . 3.190 2.631 2.487 2.753 . 0 0 "[ . 1]" 1
659 1 47 ASP H 1 48 ALA H . . 3.500 2.244 2.243 2.249 . 0 0 "[ . 1]" 1
660 1 47 ASP H 1 48 ALA MB . . 4.660 3.909 3.831 3.978 . 0 0 "[ . 1]" 1
661 1 47 ASP H 1 49 THR H . . 5.010 4.075 3.924 4.254 . 0 0 "[ . 1]" 1
662 1 47 ASP QB 1 48 ALA H . . 3.230 2.909 2.866 2.941 . 0 0 "[ . 1]" 1
663 1 47 ASP HB2 1 48 ALA H . . 4.080 3.975 3.881 4.067 . 0 0 "[ . 1]" 1
664 1 47 ASP HB3 1 48 ALA H . . 4.080 2.992 2.929 3.043 . 0 0 "[ . 1]" 1
665 1 48 ALA H 1 48 ALA HA . . 2.940 2.875 2.854 2.890 . 0 0 "[ . 1]" 1
666 1 48 ALA H 1 48 ALA MB . . 2.640 2.167 2.051 2.274 . 0 0 "[ . 1]" 1
667 1 48 ALA H 1 49 THR H . . 3.030 2.516 2.403 2.678 . 0 0 "[ . 1]" 1
668 1 48 ALA H 1 49 THR HA . . 5.270 5.156 5.083 5.260 . 0 0 "[ . 1]" 1
669 1 48 ALA H 1 49 THR MG . . 4.340 4.139 3.899 4.341 0.001 8 0 "[ . 1]" 1
670 1 48 ALA H 1 50 LYS H . . 3.900 3.462 3.439 3.559 . 0 0 "[ . 1]" 1
671 1 48 ALA H 1 51 THR H . . 5.500 5.500 5.490 5.506 0.006 5 0 "[ . 1]" 1
672 1 48 ALA MB 1 49 THR H . . 3.550 2.516 2.252 2.899 . 0 0 "[ . 1]" 1
673 1 48 ALA MB 1 49 THR HA . . 4.670 3.852 3.772 3.994 . 0 0 "[ . 1]" 1
674 1 48 ALA MB 1 49 THR MG . . 3.280 2.652 2.532 2.784 . 0 0 "[ . 1]" 1
675 1 49 THR H 1 49 THR MG . . 3.620 2.346 2.157 2.833 . 0 0 "[ . 1]" 1
676 1 49 THR H 1 50 LYS H . . 2.920 2.239 1.928 2.351 . 0 0 "[ . 1]" 1
677 1 49 THR H 1 51 THR H . . 4.170 4.058 3.822 4.168 . 0 0 "[ . 1]" 1
678 1 49 THR H 1 51 THR HB . . 5.460 5.463 5.454 5.468 0.008 4 0 "[ . 1]" 1
679 1 49 THR HA 1 49 THR MG . . 3.140 2.415 2.309 2.479 . 0 0 "[ . 1]" 1
680 1 49 THR HB 1 51 THR HB . . 4.310 3.618 3.541 3.803 . 0 0 "[ . 1]" 1
681 1 50 LYS H 1 50 LYS HA . . 2.820 2.275 2.274 2.276 . 0 0 "[ . 1]" 1
682 1 50 LYS H 1 50 LYS QD . . 3.830 3.618 3.434 3.827 . 0 0 "[ . 1]" 1
683 1 50 LYS H 1 50 LYS QE . . 5.340 4.659 4.045 5.342 0.002 6 0 "[ . 1]" 1
684 1 50 LYS H 1 50 LYS QG . . 3.520 2.930 2.895 2.965 . 0 0 "[ . 1]" 1
685 1 50 LYS H 1 51 THR H . . 3.310 2.749 2.728 2.774 . 0 0 "[ . 1]" 1
686 1 50 LYS H 1 51 THR HA . . 5.480 5.338 5.328 5.347 . 0 0 "[ . 1]" 1
687 1 50 LYS H 1 51 THR HB . . 5.280 4.969 4.951 5.075 . 0 0 "[ . 1]" 1
688 1 50 LYS HA 1 50 LYS QG . . 3.590 2.698 2.641 2.751 . 0 0 "[ . 1]" 1
689 1 50 LYS HA 1 51 THR H . . 3.210 2.764 2.723 2.801 . 0 0 "[ . 1]" 1
690 1 50 LYS HA 1 51 THR HA . . 4.950 4.406 4.387 4.420 . 0 0 "[ . 1]" 1
691 1 50 LYS HB2 1 51 THR H . . 4.660 4.304 4.270 4.341 . 0 0 "[ . 1]" 1
692 1 50 LYS HB3 1 51 THR H . . 4.660 4.372 4.369 4.374 . 0 0 "[ . 1]" 1
693 1 50 LYS QD 1 51 THR H . . 4.710 4.545 4.488 4.609 . 0 0 "[ . 1]" 1
694 1 50 LYS QD 1 51 THR HA . . 5.500 5.494 5.471 5.503 0.003 9 0 "[ . 1]" 1
695 1 51 THR H 1 51 THR HB . . 3.160 2.741 2.698 2.847 . 0 0 "[ . 1]" 1
696 1 51 THR H 1 51 THR MG . . 4.090 3.891 3.873 3.944 . 0 0 "[ . 1]" 1
697 1 51 THR H 1 52 PHE H . . 4.690 4.406 4.388 4.424 . 0 0 "[ . 1]" 1
698 1 51 THR HA 1 51 THR MG . . 3.360 2.339 2.302 2.403 . 0 0 "[ . 1]" 1
699 1 51 THR HA 1 52 PHE H . . 2.960 2.233 2.217 2.269 . 0 0 "[ . 1]" 1
700 1 51 THR HA 1 52 PHE QD . . 5.120 3.399 2.973 3.807 . 0 0 "[ . 1]" 1
701 1 51 THR HB 1 52 PHE H . . 4.640 3.941 3.775 3.987 . 0 0 "[ . 1]" 1
702 1 51 THR MG 1 52 PHE H . . 3.460 2.143 2.005 2.300 . 0 0 "[ . 1]" 1
703 1 52 PHE H 1 52 PHE QB . . 3.410 2.422 2.341 2.525 . 0 0 "[ . 1]" 1
704 1 52 PHE H 1 52 PHE QD . . 3.490 2.588 2.290 2.779 . 0 0 "[ . 1]" 1
705 1 52 PHE H 1 52 PHE QE . . 5.420 4.698 4.538 4.915 . 0 0 "[ . 1]" 1
706 1 52 PHE H 1 53 THR H . . 4.820 4.509 4.462 4.563 . 0 0 "[ . 1]" 1
707 1 52 PHE HA 1 52 PHE QD . . 4.280 2.971 2.737 3.136 . 0 0 "[ . 1]" 1
708 1 52 PHE HA 1 53 THR H . . 2.970 2.226 2.167 2.304 . 0 0 "[ . 1]" 1
709 1 52 PHE QB 1 53 THR H . . 3.680 2.885 2.630 3.107 . 0 0 "[ . 1]" 1
710 1 52 PHE QD 1 53 THR H . . 4.150 3.908 3.656 4.118 . 0 0 "[ . 1]" 1
711 1 53 THR H 1 53 THR HB . . 3.370 2.851 2.720 3.004 . 0 0 "[ . 1]" 1
712 1 53 THR H 1 53 THR MG . . 3.990 3.932 3.882 3.993 0.003 7 0 "[ . 1]" 1
713 1 53 THR H 1 54 VAL H . . 4.790 4.139 3.844 4.314 . 0 0 "[ . 1]" 1
714 1 53 THR HA 1 53 THR MG . . 3.300 2.307 2.241 2.364 . 0 0 "[ . 1]" 1
715 1 53 THR HA 1 54 VAL H . . 2.870 2.156 2.142 2.164 . 0 0 "[ . 1]" 1
716 1 53 THR HB 1 54 VAL H . . 4.430 4.226 4.121 4.388 . 0 0 "[ . 1]" 1
717 1 53 THR MG 1 54 VAL H . . 3.280 2.557 2.275 2.893 . 0 0 "[ . 1]" 1
718 1 53 THR MG 1 55 THR H . . 4.760 4.091 3.696 4.568 . 0 0 "[ . 1]" 1
719 1 54 VAL H 1 54 VAL HB . . 4.170 2.837 2.614 3.097 . 0 0 "[ . 1]" 1
720 1 54 VAL H 1 54 VAL QG . . 3.180 2.184 1.919 2.480 . 0 0 "[ . 1]" 1
721 1 54 VAL HA 1 55 THR H . . 2.750 2.152 2.142 2.175 . 0 0 "[ . 1]" 1
722 1 54 VAL QG 1 55 THR H . . 3.390 2.760 2.435 3.002 . 0 0 "[ . 1]" 1
723 1 54 VAL MG1 1 55 THR H . . 4.470 3.491 2.800 4.087 . 0 0 "[ . 1]" 1
724 1 54 VAL MG2 1 55 THR H . . 4.470 3.435 2.459 4.234 . 0 0 "[ . 1]" 1
725 1 55 THR H 1 55 THR HB . . 3.250 2.739 2.678 2.817 . 0 0 "[ . 1]" 1
726 1 55 THR H 1 55 THR MG . . 4.100 3.819 3.796 3.863 . 0 0 "[ . 1]" 1
727 1 55 THR H 1 56 GLU H . . 4.410 4.280 4.188 4.355 . 0 0 "[ . 1]" 1
728 1 55 THR H 1 56 GLU HA . . 5.110 5.071 4.942 5.112 0.002 10 0 "[ . 1]" 1
729 1 55 THR HA 1 55 THR MG . . 3.310 2.198 2.136 2.242 . 0 0 "[ . 1]" 1
730 1 55 THR HA 1 56 GLU H . . 3.090 2.164 2.145 2.192 . 0 0 "[ . 1]" 1
731 1 55 THR HB 1 56 GLU H . . 4.320 4.253 4.141 4.313 . 0 0 "[ . 1]" 1
732 1 55 THR MG 1 56 GLU H . . 3.430 3.129 2.933 3.328 . 0 0 "[ . 1]" 1
733 1 56 GLU H 1 56 GLU HB2 . . 3.710 2.233 2.159 2.316 . 0 0 "[ . 1]" 1
734 1 56 GLU H 1 56 GLU QB . . 3.060 2.209 2.138 2.288 . 0 0 "[ . 1]" 1
735 1 56 GLU H 1 56 GLU HB3 . . 3.710 3.512 3.464 3.575 . 0 0 "[ . 1]" 1
736 1 56 GLU HA 1 56 GLU QG . . 3.570 2.193 2.097 2.330 . 0 0 "[ . 1]" 1
stop_
save_
Contact the webmaster for help, if required. Friday, May 10, 2024 3:22:28 AM GMT (wattos1)