NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628202 |
5w3g   |
30303 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5w3g
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 1068
_Distance_constraint_stats_list.Viol_count 931
_Distance_constraint_stats_list.Viol_total 31.624
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0034
_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 HIS 0.012 0.012 2 0 "[ . 1]"
1 2 ILE 0.012 0.012 2 0 "[ . 1]"
1 6 SER 0.000 0.000 . 0 "[ . 1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 9 LYS 0.056 0.008 1 0 "[ . 1]"
1 10 ILE 0.050 0.008 1 0 "[ . 1]"
1 11 ARG 0.000 0.000 . 0 "[ . 1]"
1 12 LEU 0.135 0.009 8 0 "[ . 1]"
1 13 TYR 0.022 0.004 4 0 "[ . 1]"
1 14 GLN 0.018 0.002 3 0 "[ . 1]"
1 15 PHE 0.032 0.004 2 0 "[ . 1]"
1 16 LEU 0.110 0.012 10 0 "[ . 1]"
1 17 LEU 0.084 0.004 4 0 "[ . 1]"
1 18 ASP 0.028 0.009 4 0 "[ . 1]"
1 19 LEU 0.077 0.012 10 0 "[ . 1]"
1 20 LEU 0.000 0.000 . 0 "[ . 1]"
1 21 ARG 0.009 0.003 5 0 "[ . 1]"
1 22 SER 0.000 0.000 . 0 "[ . 1]"
1 23 GLY 0.000 0.000 . 0 "[ . 1]"
1 26 LYS 0.008 0.004 10 0 "[ . 1]"
1 27 ASP 0.000 0.000 . 0 "[ . 1]"
1 28 SER 0.020 0.004 4 0 "[ . 1]"
1 29 ILE 0.033 0.004 4 0 "[ . 1]"
1 30 TRP 0.018 0.004 4 0 "[ . 1]"
1 31 TRP 0.089 0.007 7 0 "[ . 1]"
1 32 VAL 0.317 0.017 8 0 "[ . 1]"
1 33 ASP 0.145 0.013 1 0 "[ . 1]"
1 34 LYS 0.004 0.004 7 0 "[ . 1]"
1 35 ASP 0.016 0.008 1 0 "[ . 1]"
1 36 LYS 0.159 0.008 10 0 "[ . 1]"
1 37 GLY 0.082 0.006 6 0 "[ . 1]"
1 38 THR 0.299 0.017 8 0 "[ . 1]"
1 39 PHE 0.043 0.004 9 0 "[ . 1]"
1 40 GLN 0.095 0.011 1 0 "[ . 1]"
1 41 PHE 0.043 0.005 4 0 "[ . 1]"
1 42 SER 0.001 0.001 10 0 "[ . 1]"
1 43 SER 0.001 0.001 4 0 "[ . 1]"
1 44 LYS 0.000 0.000 . 0 "[ . 1]"
1 45 HIS 0.007 0.003 5 0 "[ . 1]"
1 46 LYS 0.006 0.003 9 0 "[ . 1]"
1 47 GLU 0.066 0.011 5 0 "[ . 1]"
1 48 ALA 0.011 0.003 5 0 "[ . 1]"
1 49 LEU 0.078 0.009 8 0 "[ . 1]"
1 50 ALA 0.116 0.009 8 0 "[ . 1]"
1 51 HIS 0.004 0.001 5 0 "[ . 1]"
1 53 TRP 0.155 0.014 5 0 "[ . 1]"
1 54 GLY 0.005 0.003 9 0 "[ . 1]"
1 55 ILE 0.000 0.000 . 0 "[ . 1]"
1 56 GLN 0.142 0.014 5 0 "[ . 1]"
1 57 LYS 0.053 0.011 4 0 "[ . 1]"
1 58 GLY 0.003 0.002 9 0 "[ . 1]"
1 59 ASN 0.000 0.000 . 0 "[ . 1]"
1 60 ARG 0.024 0.017 7 0 "[ . 1]"
1 61 LYS 0.000 0.000 . 0 "[ . 1]"
1 62 LYS 0.042 0.007 8 0 "[ . 1]"
1 63 MET 0.099 0.007 5 0 "[ . 1]"
1 64 THR 0.027 0.005 8 0 "[ . 1]"
1 65 TYR 0.059 0.006 4 0 "[ . 1]"
1 66 GLN 0.111 0.015 1 0 "[ . 1]"
1 67 LYS 0.108 0.015 1 0 "[ . 1]"
1 68 MET 0.041 0.006 5 0 "[ . 1]"
1 69 ALA 0.044 0.008 7 0 "[ . 1]"
1 70 ARG 0.123 0.026 6 0 "[ . 1]"
1 71 ALA 0.038 0.005 8 0 "[ . 1]"
1 72 LEU 0.243 0.009 8 0 "[ . 1]"
1 73 ARG 0.056 0.006 10 0 "[ . 1]"
1 74 ASN 0.020 0.005 8 0 "[ . 1]"
1 75 TYR 0.151 0.018 4 0 "[ . 1]"
1 76 GLY 0.000 0.000 . 0 "[ . 1]"
1 77 LYS 0.028 0.004 7 0 "[ . 1]"
1 78 THR 0.020 0.003 2 0 "[ . 1]"
1 79 GLY 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.056 0.008 4 0 "[ . 1]"
1 81 VAL 0.209 0.018 4 0 "[ . 1]"
1 82 LYS 0.038 0.007 9 0 "[ . 1]"
1 83 LYS 0.173 0.015 5 0 "[ . 1]"
1 84 VAL 0.202 0.015 5 0 "[ . 1]"
1 85 LYS 0.060 0.015 5 0 "[ . 1]"
1 86 LYS 0.059 0.007 2 0 "[ . 1]"
1 87 LYS 0.007 0.003 10 0 "[ . 1]"
1 88 LEU 0.058 0.005 4 0 "[ . 1]"
1 89 THR 0.050 0.011 5 0 "[ . 1]"
1 90 TYR 0.269 0.015 5 0 "[ . 1]"
1 91 GLN 0.063 0.006 8 0 "[ . 1]"
1 92 PHE 0.097 0.016 4 0 "[ . 1]"
1 93 SER 0.061 0.006 4 0 "[ . 1]"
1 94 GLY 0.000 0.000 2 0 "[ . 1]"
1 95 GLU 0.008 0.002 10 0 "[ . 1]"
1 96 VAL 0.172 0.009 4 0 "[ . 1]"
1 97 LEU 0.113 0.009 4 0 "[ . 1]"
1 98 GLY 0.036 0.007 4 0 "[ . 1]"
1 99 ARG 0.000 0.000 . 0 "[ . 1]"
1 102 LEU 0.086 0.020 4 0 "[ . 1]"
1 103 ALA 0.033 0.017 2 0 "[ . 1]"
1 104 GLU 0.034 0.017 2 0 "[ . 1]"
1 105 ARG 0.016 0.006 3 0 "[ . 1]"
1 106 ARG 0.013 0.006 2 0 "[ . 1]"
1 107 LEU 0.006 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 HIS HA 1 2 ILE HA . . 4.820 4.409 3.996 4.832 0.012 2 0 "[ . 1]" 1
2 1 1 HIS HA 1 2 ILE MD . . 4.850 3.776 2.558 4.540 . 0 0 "[ . 1]" 1
3 1 2 ILE HA 1 2 ILE MD . . 3.810 3.028 2.003 3.619 . 0 0 "[ . 1]" 1
4 1 2 ILE HB 1 2 ILE MD . . 3.680 2.748 1.968 3.247 . 0 0 "[ . 1]" 1
5 1 6 SER HA 1 7 LYS H . . 3.470 2.349 2.220 2.619 . 0 0 "[ . 1]" 1
6 1 9 LYS HA 1 9 LYS QD . . 4.250 2.977 2.240 3.743 . 0 0 "[ . 1]" 1
7 1 9 LYS HA 1 9 LYS QE . . 4.800 4.280 2.541 4.805 0.005 8 0 "[ . 1]" 1
8 1 9 LYS HA 1 9 LYS HG2 . . 4.250 3.230 2.424 4.252 0.002 8 0 "[ . 1]" 1
9 1 9 LYS HA 1 9 LYS QG . . 3.540 2.858 2.391 3.485 . 0 0 "[ . 1]" 1
10 1 9 LYS HA 1 9 LYS HG3 . . 4.250 3.573 3.286 3.773 . 0 0 "[ . 1]" 1
11 1 9 LYS HA 1 10 ILE H . . 2.800 2.247 2.131 2.396 . 0 0 "[ . 1]" 1
12 1 9 LYS QB 1 10 ILE H . . 4.240 3.662 2.451 3.917 . 0 0 "[ . 1]" 1
13 1 9 LYS QD 1 10 ILE HA . . 4.250 3.926 2.667 4.255 0.005 2 0 "[ . 1]" 1
14 1 9 LYS QD 1 10 ILE HB . . 4.600 4.562 4.375 4.608 0.008 1 0 "[ . 1]" 1
15 1 10 ILE H 1 10 ILE HB . . 3.760 3.159 2.390 3.766 0.006 1 0 "[ . 1]" 1
16 1 10 ILE HA 1 11 ARG H . . 2.890 2.204 2.133 2.446 . 0 0 "[ . 1]" 1
17 1 10 ILE HA 1 14 GLN QB . . 4.940 3.572 2.976 4.376 . 0 0 "[ . 1]" 1
18 1 10 ILE HB 1 11 ARG H . . 4.410 3.411 2.227 4.313 . 0 0 "[ . 1]" 1
19 1 11 ARG H 1 11 ARG QB . . 3.680 2.639 2.359 3.204 . 0 0 "[ . 1]" 1
20 1 12 LEU HA 1 12 LEU MD2 . . 3.300 2.212 2.098 2.312 . 0 0 "[ . 1]" 1
21 1 12 LEU QB 1 75 TYR HE1 . . 3.730 2.433 2.138 2.777 . 0 0 "[ . 1]" 1
22 1 12 LEU HB2 1 75 TYR HE1 . . 4.360 4.019 3.575 4.361 0.001 10 0 "[ . 1]" 1
23 1 12 LEU HB3 1 75 TYR HE1 . . 4.360 2.454 2.155 2.809 . 0 0 "[ . 1]" 1
24 1 12 LEU MD1 1 16 LEU HG . . 4.330 3.667 3.248 3.980 . 0 0 "[ . 1]" 1
25 1 12 LEU MD1 1 72 LEU QD . . 3.610 1.953 1.793 2.134 . 0 0 "[ . 1]" 1
26 1 12 LEU MD1 1 75 TYR HE1 . . 4.230 2.407 1.962 2.917 . 0 0 "[ . 1]" 1
27 1 12 LEU MD1 1 92 PHE HZ . . 5.500 4.712 4.404 5.160 . 0 0 "[ . 1]" 1
28 1 12 LEU MD2 1 15 PHE HB2 . . 4.230 4.082 3.917 4.231 0.001 5 0 "[ . 1]" 1
29 1 12 LEU MD2 1 15 PHE HD1 . . 3.830 2.964 2.556 3.446 . 0 0 "[ . 1]" 1
30 1 12 LEU MD2 1 16 LEU H . . 4.320 3.760 3.556 3.892 . 0 0 "[ . 1]" 1
31 1 12 LEU MD2 1 16 LEU MD1 . . 4.000 3.805 3.653 3.900 . 0 0 "[ . 1]" 1
32 1 12 LEU MD2 1 16 LEU MD2 . . 3.370 1.974 1.932 2.033 . 0 0 "[ . 1]" 1
33 1 12 LEU MD2 1 16 LEU HG . . 4.130 4.093 3.955 4.134 0.004 6 0 "[ . 1]" 1
34 1 12 LEU MD2 1 53 TRP HD1 . . 5.480 3.531 2.941 4.459 . 0 0 "[ . 1]" 1
35 1 12 LEU MD2 1 53 TRP HE1 . . 5.100 3.212 2.694 4.482 . 0 0 "[ . 1]" 1
36 1 12 LEU MD2 1 68 MET ME . . 4.190 3.050 2.276 3.784 . 0 0 "[ . 1]" 1
37 1 12 LEU MD2 1 68 MET QG . . 3.660 2.103 1.957 2.300 . 0 0 "[ . 1]" 1
38 1 12 LEU MD2 1 72 LEU HB2 . . 4.200 3.840 3.480 4.050 . 0 0 "[ . 1]" 1
39 1 12 LEU MD2 1 72 LEU HB3 . . 5.480 5.294 4.918 5.481 0.001 1 0 "[ . 1]" 1
40 1 12 LEU MD2 1 72 LEU MD1 . . 5.110 3.411 3.066 3.885 . 0 0 "[ . 1]" 1
41 1 12 LEU MD2 1 72 LEU QD . . 3.960 3.231 3.043 3.479 . 0 0 "[ . 1]" 1
42 1 12 LEU MD2 1 72 LEU MD2 . . 5.110 4.660 3.409 5.118 0.008 4 0 "[ . 1]" 1
43 1 12 LEU HG 1 68 MET HA . . 4.440 4.104 3.860 4.362 . 0 0 "[ . 1]" 1
44 1 12 LEU HG 1 68 MET QB . . 4.790 4.793 4.790 4.796 0.006 5 0 "[ . 1]" 1
45 1 12 LEU HG 1 68 MET ME . . 5.260 4.552 3.877 5.263 0.003 4 0 "[ . 1]" 1
46 1 12 LEU HG 1 68 MET QG . . 4.700 2.760 2.654 2.934 . 0 0 "[ . 1]" 1
47 1 12 LEU HG 1 71 ALA MB . . 3.500 3.221 3.018 3.401 . 0 0 "[ . 1]" 1
48 1 12 LEU HG 1 72 LEU H . . 4.120 3.895 3.428 4.123 0.003 6 0 "[ . 1]" 1
49 1 12 LEU HG 1 72 LEU HA . . 4.100 3.875 3.445 4.104 0.004 6 0 "[ . 1]" 1
50 1 12 LEU HG 1 72 LEU HB2 . . 4.020 3.311 2.650 3.675 . 0 0 "[ . 1]" 1
51 1 12 LEU HG 1 72 LEU QD . . 3.980 3.787 3.475 3.982 0.002 9 0 "[ . 1]" 1
52 1 12 LEU HG 1 72 LEU HG . . 5.500 4.721 4.093 5.509 0.009 8 0 "[ . 1]" 1
53 1 12 LEU HG 1 75 TYR HE1 . . 3.930 3.707 3.540 3.932 0.002 4 0 "[ . 1]" 1
54 1 13 TYR HD1 1 14 GLN H . . 4.370 3.877 3.671 4.372 0.002 3 0 "[ . 1]" 1
55 1 13 TYR HD1 1 14 GLN HA . . 4.430 3.673 3.248 4.104 . 0 0 "[ . 1]" 1
56 1 13 TYR HD1 1 17 LEU QD . . 5.440 5.094 4.874 5.404 . 0 0 "[ . 1]" 1
57 1 13 TYR HD1 1 17 LEU HG . . 5.500 5.101 4.709 5.483 . 0 0 "[ . 1]" 1
58 1 13 TYR HD1 1 81 VAL QG . . 4.570 3.654 3.155 4.574 0.004 4 0 "[ . 1]" 1
59 1 13 TYR HD1 1 96 VAL HB . . 3.620 3.416 2.879 3.621 0.001 2 0 "[ . 1]" 1
60 1 13 TYR HD1 1 96 VAL MG1 . . 4.350 3.898 3.531 4.210 . 0 0 "[ . 1]" 1
61 1 13 TYR HD1 1 96 VAL MG2 . . 3.470 2.101 2.006 2.517 . 0 0 "[ . 1]" 1
62 1 13 TYR HE1 1 14 GLN HE21 . . 3.170 2.803 2.397 3.036 . 0 0 "[ . 1]" 1
63 1 13 TYR HE1 1 14 GLN QE . . 2.710 2.611 2.330 2.711 0.001 3 0 "[ . 1]" 1
64 1 13 TYR HE1 1 14 GLN HE22 . . 3.170 3.157 3.048 3.172 0.002 5 0 "[ . 1]" 1
65 1 13 TYR HE1 1 96 VAL MG1 . . 4.950 4.639 3.946 4.953 0.003 7 0 "[ . 1]" 1
66 1 13 TYR HE1 1 96 VAL MG2 . . 3.740 2.618 2.119 3.332 . 0 0 "[ . 1]" 1
67 1 14 GLN H 1 14 GLN HB2 . . 3.930 2.391 2.355 2.436 . 0 0 "[ . 1]" 1
68 1 14 GLN H 1 14 GLN HB3 . . 3.930 3.046 2.460 3.645 . 0 0 "[ . 1]" 1
69 1 14 GLN H 1 14 GLN QG . . 4.410 3.263 2.429 4.051 . 0 0 "[ . 1]" 1
70 1 14 GLN HA 1 14 GLN QE . . 4.410 3.082 2.219 4.020 . 0 0 "[ . 1]" 1
71 1 14 GLN HA 1 14 GLN HG2 . . 4.100 3.457 2.983 3.881 . 0 0 "[ . 1]" 1
72 1 14 GLN HA 1 14 GLN HG3 . . 4.100 3.487 3.108 3.858 . 0 0 "[ . 1]" 1
73 1 14 GLN HA 1 17 LEU H . . 4.130 3.689 3.457 3.911 . 0 0 "[ . 1]" 1
74 1 14 GLN HA 1 17 LEU QB . . 3.740 2.790 2.468 3.172 . 0 0 "[ . 1]" 1
75 1 14 GLN HA 1 17 LEU QD . . 5.440 3.815 3.537 4.105 . 0 0 "[ . 1]" 1
76 1 14 GLN HA 1 17 LEU HG . . 5.280 4.707 4.351 5.172 . 0 0 "[ . 1]" 1
77 1 14 GLN HA 1 18 ASP H . . 4.590 3.865 3.733 4.010 . 0 0 "[ . 1]" 1
78 1 14 GLN QB 1 14 GLN QE . . 3.870 2.835 1.923 3.795 . 0 0 "[ . 1]" 1
79 1 14 GLN QB 1 15 PHE H . . 4.080 2.658 2.586 2.864 . 0 0 "[ . 1]" 1
80 1 14 GLN QG 1 17 LEU QD . . 5.280 4.889 4.172 5.282 0.002 3 0 "[ . 1]" 1
81 1 15 PHE H 1 15 PHE HB2 . . 3.840 2.480 2.387 2.559 . 0 0 "[ . 1]" 1
82 1 15 PHE H 1 15 PHE HB3 . . 3.930 2.475 2.393 2.536 . 0 0 "[ . 1]" 1
83 1 15 PHE H 1 16 LEU H . . 3.020 2.932 2.795 3.022 0.002 3 0 "[ . 1]" 1
84 1 15 PHE HA 1 15 PHE HD1 . . 4.540 4.490 4.423 4.542 0.002 5 0 "[ . 1]" 1
85 1 15 PHE HA 1 16 LEU MD2 . . 4.600 4.597 4.569 4.604 0.004 2 0 "[ . 1]" 1
86 1 15 PHE HA 1 18 ASP H . . 4.230 3.618 3.482 3.738 . 0 0 "[ . 1]" 1
87 1 15 PHE HA 1 18 ASP QB . . 3.980 2.804 2.330 3.983 0.003 4 0 "[ . 1]" 1
88 1 15 PHE HB2 1 53 TRP HZ3 . . 4.860 3.121 2.539 4.253 . 0 0 "[ . 1]" 1
89 1 15 PHE HB3 1 15 PHE HD1 . . 3.610 2.339 2.308 2.377 . 0 0 "[ . 1]" 1
90 1 15 PHE HB3 1 16 LEU H . . 4.470 2.601 2.537 2.654 . 0 0 "[ . 1]" 1
91 1 15 PHE HB3 1 16 LEU MD1 . . 4.450 4.376 4.133 4.452 0.002 8 0 "[ . 1]" 1
92 1 15 PHE HD1 1 16 LEU HA . . 4.590 4.143 3.832 4.323 . 0 0 "[ . 1]" 1
93 1 15 PHE HD1 1 16 LEU MD1 . . 3.340 3.160 2.771 3.341 0.001 8 0 "[ . 1]" 1
94 1 15 PHE HD1 1 16 LEU MD2 . . 4.040 2.168 2.071 2.229 . 0 0 "[ . 1]" 1
95 1 15 PHE HE1 1 16 LEU MD1 . . 4.220 3.672 3.183 4.196 . 0 0 "[ . 1]" 1
96 1 16 LEU H 1 16 LEU MD1 . . 3.810 3.584 3.392 3.700 . 0 0 "[ . 1]" 1
97 1 16 LEU H 1 16 LEU HG . . 4.290 3.996 3.837 4.041 . 0 0 "[ . 1]" 1
98 1 16 LEU HA 1 16 LEU MD1 . . 3.040 2.120 2.044 2.313 . 0 0 "[ . 1]" 1
99 1 16 LEU HA 1 16 LEU MD2 . . 4.330 2.979 2.854 3.114 . 0 0 "[ . 1]" 1
100 1 16 LEU HA 1 19 LEU H . . 4.680 3.320 3.178 3.515 . 0 0 "[ . 1]" 1
101 1 16 LEU HA 1 19 LEU QD . . 3.710 2.343 1.954 3.718 0.008 1 0 "[ . 1]" 1
102 1 16 LEU HA 1 19 LEU HG . . 4.840 3.983 3.447 4.852 0.012 10 0 "[ . 1]" 1
103 1 16 LEU HA 1 29 ILE HB . . 5.420 4.920 4.566 5.059 . 0 0 "[ . 1]" 1
104 1 16 LEU HA 1 29 ILE MD . . 5.320 3.167 2.697 3.896 . 0 0 "[ . 1]" 1
105 1 16 LEU HA 1 29 ILE QG . . 4.960 4.188 4.019 4.395 . 0 0 "[ . 1]" 1
106 1 16 LEU HA 1 29 ILE MG . . 4.730 4.704 4.547 4.733 0.003 4 0 "[ . 1]" 1
107 1 16 LEU HB2 1 29 ILE MG . . 5.390 5.005 4.562 5.222 . 0 0 "[ . 1]" 1
108 1 16 LEU HB2 1 72 LEU QD . . 5.440 4.067 3.740 4.337 . 0 0 "[ . 1]" 1
109 1 16 LEU HB2 1 92 PHE HE1 . . 4.290 3.567 3.310 3.826 . 0 0 "[ . 1]" 1
110 1 16 LEU HB2 1 92 PHE HZ . . 3.750 2.462 2.226 2.849 . 0 0 "[ . 1]" 1
111 1 16 LEU HB3 1 16 LEU MD1 . . 3.330 2.398 2.305 2.469 . 0 0 "[ . 1]" 1
112 1 16 LEU HB3 1 17 LEU H . . 4.230 3.648 3.577 3.751 . 0 0 "[ . 1]" 1
113 1 16 LEU HB3 1 29 ILE MG . . 4.180 3.455 3.117 3.659 . 0 0 "[ . 1]" 1
114 1 16 LEU HB3 1 41 PHE HZ . . 4.110 4.050 3.673 4.112 0.002 10 0 "[ . 1]" 1
115 1 16 LEU HB3 1 92 PHE HZ . . 4.000 2.893 2.592 3.511 . 0 0 "[ . 1]" 1
116 1 16 LEU MD1 1 17 LEU H . . 5.480 4.836 4.766 4.893 . 0 0 "[ . 1]" 1
117 1 16 LEU MD1 1 19 LEU QB . . 4.010 3.274 3.025 3.489 . 0 0 "[ . 1]" 1
118 1 16 LEU MD1 1 19 LEU MD1 . . 4.110 2.491 1.912 4.116 0.006 9 0 "[ . 1]" 1
119 1 16 LEU MD1 1 19 LEU QD . . 3.500 2.197 1.909 3.417 . 0 0 "[ . 1]" 1
120 1 16 LEU MD1 1 19 LEU MD2 . . 4.110 3.850 1.937 4.116 0.006 7 0 "[ . 1]" 1
121 1 16 LEU MD1 1 28 SER QB . . 5.340 4.641 4.112 5.000 . 0 0 "[ . 1]" 1
122 1 16 LEU MD1 1 29 ILE HB . . 4.220 3.745 3.352 3.964 . 0 0 "[ . 1]" 1
123 1 16 LEU MD1 1 29 ILE MD . . 3.350 1.945 1.886 2.039 . 0 0 "[ . 1]" 1
124 1 16 LEU MD1 1 29 ILE QG . . 3.820 2.031 1.972 2.162 . 0 0 "[ . 1]" 1
125 1 16 LEU MD1 1 29 ILE MG . . 3.570 3.346 3.007 3.571 0.001 10 0 "[ . 1]" 1
126 1 16 LEU MD1 1 41 PHE HE1 . . 5.500 4.640 3.934 5.344 . 0 0 "[ . 1]" 1
127 1 16 LEU MD1 1 49 LEU QD . . 3.640 1.970 1.791 2.124 . 0 0 "[ . 1]" 1
128 1 16 LEU HG 1 29 ILE QG . . 4.550 3.757 3.470 3.993 . 0 0 "[ . 1]" 1
129 1 16 LEU HG 1 41 PHE HE1 . . 4.640 4.407 3.906 4.642 0.002 6 0 "[ . 1]" 1
130 1 16 LEU HG 1 41 PHE HZ . . 3.330 2.561 2.199 3.138 . 0 0 "[ . 1]" 1
131 1 16 LEU HG 1 72 LEU QD . . 3.360 3.019 2.685 3.364 0.004 7 0 "[ . 1]" 1
132 1 16 LEU HG 1 92 PHE HZ . . 4.580 3.699 3.574 3.925 . 0 0 "[ . 1]" 1
133 1 17 LEU H 1 17 LEU QB . . 3.440 2.175 2.123 2.222 . 0 0 "[ . 1]" 1
134 1 17 LEU H 1 17 LEU QD . . 4.550 3.738 3.715 3.759 . 0 0 "[ . 1]" 1
135 1 17 LEU H 1 17 LEU HG . . 4.630 4.517 4.447 4.578 . 0 0 "[ . 1]" 1
136 1 17 LEU H 1 92 PHE HZ . . 4.190 3.988 3.838 4.147 . 0 0 "[ . 1]" 1
137 1 17 LEU HA 1 17 LEU QD . . 3.100 2.233 2.193 2.261 . 0 0 "[ . 1]" 1
138 1 17 LEU HA 1 17 LEU HG . . 3.840 3.787 3.746 3.814 . 0 0 "[ . 1]" 1
139 1 17 LEU HA 1 92 PHE HE1 . . 4.400 3.993 3.476 4.326 . 0 0 "[ . 1]" 1
140 1 17 LEU HA 1 92 PHE HZ . . 4.790 4.765 4.686 4.792 0.002 7 0 "[ . 1]" 1
141 1 17 LEU QB 1 97 LEU QD . . 4.920 4.046 3.799 4.427 . 0 0 "[ . 1]" 1
142 1 17 LEU QD 1 21 ARG QB . . 4.130 3.358 2.149 4.043 . 0 0 "[ . 1]" 1
143 1 17 LEU QD 1 21 ARG QD . . 3.830 2.221 2.002 2.386 . 0 0 "[ . 1]" 1
144 1 17 LEU QD 1 21 ARG QG . . 3.640 2.655 1.858 3.547 . 0 0 "[ . 1]" 1
145 1 17 LEU QD 1 31 TRP HH2 . . 3.980 3.972 3.882 3.983 0.003 5 0 "[ . 1]" 1
146 1 17 LEU QD 1 31 TRP HZ2 . . 3.670 3.673 3.671 3.674 0.004 4 0 "[ . 1]" 1
147 1 17 LEU QD 1 92 PHE HD1 . . 4.390 3.466 3.182 3.658 . 0 0 "[ . 1]" 1
148 1 17 LEU QD 1 92 PHE HE1 . . 4.150 3.807 3.646 4.115 . 0 0 "[ . 1]" 1
149 1 17 LEU QD 1 92 PHE HZ . . 5.400 5.004 4.700 5.283 . 0 0 "[ . 1]" 1
150 1 17 LEU QD 1 96 VAL HB . . 5.440 5.417 5.269 5.444 0.004 3 0 "[ . 1]" 1
151 1 17 LEU QD 1 96 VAL MG2 . . 3.970 3.023 2.922 3.083 . 0 0 "[ . 1]" 1
152 1 17 LEU QD 1 97 LEU HA . . 3.880 2.806 2.604 3.241 . 0 0 "[ . 1]" 1
153 1 17 LEU QD 1 97 LEU QD . . 3.040 2.126 1.893 2.501 . 0 0 "[ . 1]" 1
154 1 17 LEU MD1 1 21 ARG HG2 . . 5.990 3.598 2.264 4.583 . 0 0 "[ . 1]" 1
155 1 17 LEU MD1 1 21 ARG HG3 . . 5.990 3.151 2.123 4.647 . 0 0 "[ . 1]" 1
156 1 17 LEU MD1 1 92 PHE HD1 . . 5.360 5.132 4.867 5.361 0.001 3 0 "[ . 1]" 1
157 1 17 LEU MD1 1 92 PHE HE1 . . 5.100 5.061 4.908 5.102 0.002 2 0 "[ . 1]" 1
158 1 17 LEU MD1 1 96 VAL MG1 . . 5.500 5.141 4.787 5.411 . 0 0 "[ . 1]" 1
159 1 17 LEU MD1 1 97 LEU HA . . 4.650 3.716 3.051 4.343 . 0 0 "[ . 1]" 1
160 1 17 LEU MD2 1 21 ARG HG2 . . 5.990 4.208 2.370 5.105 . 0 0 "[ . 1]" 1
161 1 17 LEU MD2 1 21 ARG HG3 . . 5.990 3.946 2.910 5.991 0.001 3 0 "[ . 1]" 1
162 1 17 LEU MD2 1 92 PHE HD1 . . 5.360 3.530 3.210 3.770 . 0 0 "[ . 1]" 1
163 1 17 LEU MD2 1 92 PHE HE1 . . 5.100 3.943 3.734 4.342 . 0 0 "[ . 1]" 1
164 1 17 LEU MD2 1 96 VAL MG1 . . 5.500 4.288 4.083 4.421 . 0 0 "[ . 1]" 1
165 1 17 LEU MD2 1 97 LEU HA . . 4.650 2.943 2.633 3.409 . 0 0 "[ . 1]" 1
166 1 17 LEU HG 1 21 ARG QD . . 5.010 4.785 4.427 5.012 0.002 2 0 "[ . 1]" 1
167 1 17 LEU HG 1 92 PHE HE1 . . 4.450 4.151 3.772 4.346 . 0 0 "[ . 1]" 1
168 1 17 LEU HG 1 96 VAL HB . . 5.500 5.383 5.244 5.466 . 0 0 "[ . 1]" 1
169 1 17 LEU HG 1 96 VAL MG1 . . 4.550 4.222 3.855 4.507 . 0 0 "[ . 1]" 1
170 1 17 LEU HG 1 96 VAL MG2 . . 3.330 2.346 2.203 2.443 . 0 0 "[ . 1]" 1
171 1 17 LEU HG 1 97 LEU HA . . 4.210 3.499 2.658 4.197 . 0 0 "[ . 1]" 1
172 1 17 LEU HG 1 97 LEU QD . . 3.830 3.346 2.925 3.831 0.001 3 0 "[ . 1]" 1
173 1 18 ASP H 1 18 ASP HB2 . . 3.840 2.645 2.339 3.717 . 0 0 "[ . 1]" 1
174 1 18 ASP H 1 18 ASP QB . . 3.290 2.328 2.174 2.552 . 0 0 "[ . 1]" 1
175 1 18 ASP H 1 18 ASP HB3 . . 3.840 2.987 2.532 3.617 . 0 0 "[ . 1]" 1
176 1 18 ASP HA 1 20 LEU H . . 4.880 4.562 4.380 4.665 . 0 0 "[ . 1]" 1
177 1 18 ASP HA 1 21 ARG H . . 4.590 3.289 2.946 3.507 . 0 0 "[ . 1]" 1
178 1 18 ASP HA 1 21 ARG QD . . 4.760 3.424 2.112 4.763 0.003 5 0 "[ . 1]" 1
179 1 18 ASP HA 1 21 ARG QG . . 4.210 3.110 2.003 4.211 0.001 2 0 "[ . 1]" 1
180 1 18 ASP QB 1 19 LEU H . . 3.580 2.963 2.703 3.589 0.009 4 0 "[ . 1]" 1
181 1 18 ASP HB2 1 19 LEU H . . 4.110 3.584 2.822 4.112 0.002 1 0 "[ . 1]" 1
182 1 18 ASP HB3 1 19 LEU H . . 4.110 3.450 2.747 4.114 0.004 4 0 "[ . 1]" 1
183 1 19 LEU H 1 19 LEU QD . . 4.790 3.294 3.013 3.731 . 0 0 "[ . 1]" 1
184 1 19 LEU QB 1 29 ILE HB . . 4.170 3.491 3.348 3.631 . 0 0 "[ . 1]" 1
185 1 19 LEU QB 1 29 ILE MD . . 3.610 2.593 2.209 3.273 . 0 0 "[ . 1]" 1
186 1 19 LEU QD 1 29 ILE MD . . 3.000 1.939 1.791 2.153 . 0 0 "[ . 1]" 1
187 1 19 LEU QD 1 49 LEU QD . . 3.400 2.664 1.812 3.401 0.001 4 0 "[ . 1]" 1
188 1 19 LEU QD 1 49 LEU HG . . 4.530 3.258 2.751 4.062 . 0 0 "[ . 1]" 1
189 1 19 LEU MD1 1 29 ILE MD . . 3.590 2.132 1.925 3.315 . 0 0 "[ . 1]" 1
190 1 19 LEU MD2 1 29 ILE MD . . 3.590 2.861 1.798 3.117 . 0 0 "[ . 1]" 1
191 1 20 LEU H 1 29 ILE MD . . 5.500 4.449 4.125 5.082 . 0 0 "[ . 1]" 1
192 1 20 LEU H 1 29 ILE MG . . 5.010 4.727 4.443 4.897 . 0 0 "[ . 1]" 1
193 1 20 LEU QD 1 29 ILE MD . . 4.260 3.422 3.031 3.893 . 0 0 "[ . 1]" 1
194 1 20 LEU QD 1 29 ILE QG . . 4.130 3.555 3.374 3.806 . 0 0 "[ . 1]" 1
195 1 20 LEU QD 1 29 ILE MG . . 3.670 1.872 1.831 1.952 . 0 0 "[ . 1]" 1
196 1 20 LEU HG 1 29 ILE HB . . 5.500 3.882 2.775 4.900 . 0 0 "[ . 1]" 1
197 1 21 ARG HA 1 21 ARG QD . . 4.810 4.062 2.229 4.565 . 0 0 "[ . 1]" 1
198 1 21 ARG HA 1 21 ARG QG . . 3.580 2.672 2.394 3.389 . 0 0 "[ . 1]" 1
199 1 22 SER H 1 22 SER QB . . 3.620 2.491 2.227 2.614 . 0 0 "[ . 1]" 1
200 1 22 SER HA 1 23 GLY QA . . 4.650 4.283 4.139 4.337 . 0 0 "[ . 1]" 1
201 1 22 SER QB 1 23 GLY H . . 4.460 3.170 2.552 3.730 . 0 0 "[ . 1]" 1
202 1 22 SER HB2 1 23 GLY H . . 5.190 3.510 2.605 4.150 . 0 0 "[ . 1]" 1
203 1 22 SER HB3 1 23 GLY H . . 5.190 3.875 2.819 4.247 . 0 0 "[ . 1]" 1
204 1 26 LYS HA 1 28 SER H . . 4.350 3.967 3.358 4.353 0.003 7 0 "[ . 1]" 1
205 1 26 LYS HA 1 29 ILE H . . 5.210 4.169 3.453 5.214 0.004 10 0 "[ . 1]" 1
206 1 26 LYS QB 1 27 ASP H . . 4.130 3.261 2.696 4.012 . 0 0 "[ . 1]" 1
207 1 27 ASP H 1 27 ASP HB2 . . 3.840 2.694 2.375 3.661 . 0 0 "[ . 1]" 1
208 1 27 ASP H 1 27 ASP HB3 . . 3.840 3.204 2.490 3.630 . 0 0 "[ . 1]" 1
209 1 27 ASP QB 1 28 SER H . . 4.420 3.204 2.784 4.148 . 0 0 "[ . 1]" 1
210 1 28 SER H 1 28 SER HB2 . . 4.160 3.367 2.428 3.662 . 0 0 "[ . 1]" 1
211 1 28 SER H 1 28 SER HB3 . . 4.160 2.953 2.623 3.714 . 0 0 "[ . 1]" 1
212 1 28 SER H 1 29 ILE MD . . 4.230 3.993 3.814 4.052 . 0 0 "[ . 1]" 1
213 1 28 SER HA 1 29 ILE HA . . 4.680 4.531 4.507 4.583 . 0 0 "[ . 1]" 1
214 1 28 SER QB 1 29 ILE H . . 3.950 3.231 2.616 3.597 . 0 0 "[ . 1]" 1
215 1 28 SER QB 1 29 ILE HA . . 4.640 4.563 4.274 4.644 0.004 4 0 "[ . 1]" 1
216 1 28 SER QB 1 29 ILE MD . . 3.880 2.520 2.121 3.095 . 0 0 "[ . 1]" 1
217 1 28 SER QB 1 45 HIS QB . . 3.850 2.996 2.541 3.468 . 0 0 "[ . 1]" 1
218 1 28 SER QB 1 49 LEU HA . . 4.730 3.951 3.532 4.381 . 0 0 "[ . 1]" 1
219 1 28 SER QB 1 49 LEU HB2 . . 4.180 2.656 2.445 3.005 . 0 0 "[ . 1]" 1
220 1 28 SER QB 1 49 LEU QD . . 4.000 2.415 2.102 2.841 . 0 0 "[ . 1]" 1
221 1 28 SER HB2 1 29 ILE H . . 4.570 3.573 2.675 4.140 . 0 0 "[ . 1]" 1
222 1 28 SER HB2 1 29 ILE MD . . 4.550 2.747 2.164 3.631 . 0 0 "[ . 1]" 1
223 1 28 SER HB2 1 49 LEU HA . . 5.500 4.426 3.822 5.501 0.001 2 0 "[ . 1]" 1
224 1 28 SER HB3 1 29 ILE H . . 4.570 3.891 2.807 4.187 . 0 0 "[ . 1]" 1
225 1 28 SER HB3 1 29 ILE MD . . 4.550 3.420 2.221 4.102 . 0 0 "[ . 1]" 1
226 1 28 SER HB3 1 49 LEU HA . . 5.500 4.577 4.073 5.289 . 0 0 "[ . 1]" 1
227 1 29 ILE H 1 29 ILE MD . . 3.350 2.433 2.366 2.550 . 0 0 "[ . 1]" 1
228 1 29 ILE HA 1 29 ILE MD . . 3.600 3.332 3.098 3.374 . 0 0 "[ . 1]" 1
229 1 29 ILE HA 1 30 TRP H . . 3.470 2.045 1.940 2.218 . 0 0 "[ . 1]" 1
230 1 29 ILE HA 1 41 PHE HA . . 3.890 2.664 2.462 2.989 . 0 0 "[ . 1]" 1
231 1 29 ILE HA 1 42 SER H . . 4.750 3.302 2.997 3.588 . 0 0 "[ . 1]" 1
232 1 29 ILE HB 1 29 ILE MD . . 3.050 2.101 2.020 2.151 . 0 0 "[ . 1]" 1
233 1 29 ILE HB 1 30 TRP H . . 4.470 3.851 3.801 3.935 . 0 0 "[ . 1]" 1
234 1 29 ILE HB 1 49 LEU QD . . 5.440 4.636 4.377 5.014 . 0 0 "[ . 1]" 1
235 1 29 ILE MD 1 29 ILE MG . . 3.750 3.093 3.038 3.184 . 0 0 "[ . 1]" 1
236 1 29 ILE MD 1 30 TRP H . . 5.200 4.737 4.608 4.793 . 0 0 "[ . 1]" 1
237 1 29 ILE MD 1 42 SER H . . 5.500 4.637 3.970 4.884 . 0 0 "[ . 1]" 1
238 1 29 ILE MD 1 49 LEU QD . . 3.380 2.204 1.903 2.447 . 0 0 "[ . 1]" 1
239 1 29 ILE MD 1 49 LEU HG . . 3.900 2.335 2.075 2.437 . 0 0 "[ . 1]" 1
240 1 29 ILE QG 1 29 ILE MG . . 2.800 2.037 2.005 2.072 . 0 0 "[ . 1]" 1
241 1 29 ILE MG 1 30 TRP H . . 4.480 2.312 2.201 2.396 . 0 0 "[ . 1]" 1
242 1 29 ILE MG 1 39 PHE HB3 . . 4.540 2.303 2.178 2.600 . 0 0 "[ . 1]" 1
243 1 29 ILE MG 1 39 PHE HD1 . . 4.190 2.811 2.673 3.558 . 0 0 "[ . 1]" 1
244 1 29 ILE MG 1 41 PHE HZ . . 4.840 4.674 3.990 4.842 0.002 7 0 "[ . 1]" 1
245 1 29 ILE MG 1 92 PHE HZ . . 5.440 4.875 4.459 5.223 . 0 0 "[ . 1]" 1
246 1 30 TRP HA 1 31 TRP H . . 3.400 2.349 2.293 2.445 . 0 0 "[ . 1]" 1
247 1 30 TRP HD1 1 32 VAL HA . . 3.950 2.999 2.720 3.663 . 0 0 "[ . 1]" 1
248 1 30 TRP HD1 1 32 VAL QG . . 3.820 3.578 3.283 3.821 0.001 4 0 "[ . 1]" 1
249 1 30 TRP HD1 1 40 GLN QB . . 5.320 3.677 2.695 5.322 0.002 9 0 "[ . 1]" 1
250 1 30 TRP HE1 1 32 VAL QG . . 4.210 3.425 3.259 3.892 . 0 0 "[ . 1]" 1
251 1 30 TRP HE1 1 40 GLN HB2 . . 5.290 3.685 2.500 4.848 . 0 0 "[ . 1]" 1
252 1 30 TRP HE1 1 40 GLN QB . . 4.570 3.029 2.461 4.304 . 0 0 "[ . 1]" 1
253 1 30 TRP HE1 1 40 GLN HB3 . . 5.290 3.568 2.522 4.888 . 0 0 "[ . 1]" 1
254 1 30 TRP HH2 1 42 SER HA . . 3.750 3.293 2.526 3.699 . 0 0 "[ . 1]" 1
255 1 30 TRP HH2 1 42 SER QB . . 3.890 3.142 2.541 3.891 0.001 10 0 "[ . 1]" 1
256 1 30 TRP HZ2 1 40 GLN QB . . 4.560 4.306 3.626 4.564 0.004 4 0 "[ . 1]" 1
257 1 30 TRP HZ2 1 42 SER HA . . 5.090 4.148 3.756 4.528 . 0 0 "[ . 1]" 1
258 1 30 TRP HZ3 1 42 SER HA . . 4.840 4.200 3.291 4.672 . 0 0 "[ . 1]" 1
259 1 30 TRP HZ3 1 42 SER QB . . 4.210 2.553 2.138 3.970 . 0 0 "[ . 1]" 1
260 1 31 TRP H 1 31 TRP QB . . 3.690 2.391 2.368 2.414 . 0 0 "[ . 1]" 1
261 1 31 TRP H 1 31 TRP HD1 . . 3.940 2.510 2.341 2.705 . 0 0 "[ . 1]" 1
262 1 31 TRP HA 1 32 VAL H . . 3.390 2.218 2.192 2.280 . 0 0 "[ . 1]" 1
263 1 31 TRP HA 1 32 VAL HB . . 4.860 4.493 4.386 4.677 . 0 0 "[ . 1]" 1
264 1 31 TRP HA 1 32 VAL QG . . 3.910 3.914 3.910 3.917 0.007 7 0 "[ . 1]" 1
265 1 31 TRP HA 1 33 ASP H . . 4.320 3.699 3.609 3.791 . 0 0 "[ . 1]" 1
266 1 31 TRP HA 1 39 PHE HA . . 3.650 2.721 2.460 2.991 . 0 0 "[ . 1]" 1
267 1 31 TRP HA 1 39 PHE HB2 . . 5.500 5.285 5.130 5.501 0.001 7 0 "[ . 1]" 1
268 1 31 TRP HA 1 39 PHE HB3 . . 4.460 4.197 4.042 4.405 . 0 0 "[ . 1]" 1
269 1 31 TRP HA 1 40 GLN H . . 4.590 3.869 3.584 4.016 . 0 0 "[ . 1]" 1
270 1 31 TRP QB 1 31 TRP HD1 . . 3.240 2.762 2.690 2.827 . 0 0 "[ . 1]" 1
271 1 31 TRP HH2 1 97 LEU MD1 . . 4.720 2.964 2.044 4.013 . 0 0 "[ . 1]" 1
272 1 31 TRP HH2 1 97 LEU QD . . 3.380 2.263 2.040 2.727 . 0 0 "[ . 1]" 1
273 1 31 TRP HH2 1 97 LEU MD2 . . 4.720 2.985 2.226 4.363 . 0 0 "[ . 1]" 1
274 1 32 VAL H 1 32 VAL HB . . 3.760 2.502 2.410 2.652 . 0 0 "[ . 1]" 1
275 1 32 VAL H 1 32 VAL MG1 . . 4.020 2.297 2.085 3.820 . 0 0 "[ . 1]" 1
276 1 32 VAL H 1 32 VAL QG . . 3.230 2.147 2.077 2.417 . 0 0 "[ . 1]" 1
277 1 32 VAL H 1 32 VAL MG2 . . 4.020 3.679 2.444 3.870 . 0 0 "[ . 1]" 1
278 1 32 VAL H 1 39 PHE HA . . 3.640 2.511 2.326 2.650 . 0 0 "[ . 1]" 1
279 1 32 VAL HA 1 32 VAL MG1 . . 3.230 3.131 2.459 3.228 . 0 0 "[ . 1]" 1
280 1 32 VAL HA 1 32 VAL QG . . 2.810 2.257 2.174 2.286 . 0 0 "[ . 1]" 1
281 1 32 VAL HA 1 32 VAL MG2 . . 3.230 2.327 2.297 2.422 . 0 0 "[ . 1]" 1
282 1 32 VAL HB 1 33 ASP H . . 4.100 3.731 2.538 3.885 . 0 0 "[ . 1]" 1
283 1 32 VAL HB 1 38 THR HB . . 3.820 3.692 2.418 3.837 0.017 8 0 "[ . 1]" 1
284 1 32 VAL HB 1 39 PHE HA . . 4.650 3.682 3.499 3.915 . 0 0 "[ . 1]" 1
285 1 32 VAL HB 1 40 GLN HA . . 5.500 4.761 4.163 5.511 0.011 1 0 "[ . 1]" 1
286 1 32 VAL QG 1 33 ASP H . . 3.430 2.299 2.169 3.186 . 0 0 "[ . 1]" 1
287 1 32 VAL QG 1 33 ASP HA . . 4.230 3.638 3.560 3.668 . 0 0 "[ . 1]" 1
288 1 32 VAL QG 1 33 ASP HB2 . . 3.620 2.192 2.049 2.263 . 0 0 "[ . 1]" 1
289 1 32 VAL QG 1 33 ASP HB3 . . 4.110 3.113 2.981 3.525 . 0 0 "[ . 1]" 1
290 1 32 VAL QG 1 38 THR HA . . 5.440 3.776 3.625 4.277 . 0 0 "[ . 1]" 1
291 1 32 VAL QG 1 38 THR MG . . 3.620 3.083 2.989 3.484 . 0 0 "[ . 1]" 1
292 1 32 VAL QG 1 39 PHE HA . . 3.390 3.109 2.896 3.239 . 0 0 "[ . 1]" 1
293 1 32 VAL QG 1 40 GLN H . . 3.650 3.563 2.731 3.657 0.007 4 0 "[ . 1]" 1
294 1 32 VAL QG 1 40 GLN QB . . 3.860 3.014 1.886 3.723 . 0 0 "[ . 1]" 1
295 1 32 VAL QG 1 40 GLN QE . . 3.950 3.188 2.832 3.484 . 0 0 "[ . 1]" 1
296 1 32 VAL QG 1 89 THR MG . . 4.510 2.643 1.976 2.844 . 0 0 "[ . 1]" 1
297 1 32 VAL MG1 1 33 ASP H . . 4.000 2.334 2.179 3.440 . 0 0 "[ . 1]" 1
298 1 32 VAL MG1 1 33 ASP HB2 . . 4.440 2.210 2.058 2.284 . 0 0 "[ . 1]" 1
299 1 32 VAL MG1 1 33 ASP HB3 . . 4.920 3.152 3.009 3.612 . 0 0 "[ . 1]" 1
300 1 32 VAL MG1 1 38 THR HB . . 4.000 1.949 1.781 3.262 . 0 0 "[ . 1]" 1
301 1 32 VAL MG2 1 33 ASP H . . 4.000 3.961 3.763 4.001 0.001 4 0 "[ . 1]" 1
302 1 32 VAL MG2 1 33 ASP HB2 . . 4.440 3.696 3.521 4.303 . 0 0 "[ . 1]" 1
303 1 32 VAL MG2 1 33 ASP HB3 . . 4.920 4.894 4.834 4.933 0.013 1 0 "[ . 1]" 1
304 1 32 VAL MG2 1 38 THR HB . . 4.000 3.875 2.683 4.009 0.009 3 0 "[ . 1]" 1
305 1 33 ASP H 1 33 ASP HB2 . . 4.190 3.013 2.599 3.089 . 0 0 "[ . 1]" 1
306 1 33 ASP H 1 38 THR HB . . 4.330 3.990 3.792 4.280 . 0 0 "[ . 1]" 1
307 1 33 ASP H 1 38 THR MG . . 5.230 5.078 5.020 5.194 . 0 0 "[ . 1]" 1
308 1 33 ASP H 1 39 PHE HA . . 4.320 4.300 4.205 4.322 0.002 9 0 "[ . 1]" 1
309 1 33 ASP HA 1 36 LYS QB . . 5.230 4.661 4.525 4.741 . 0 0 "[ . 1]" 1
310 1 33 ASP HB2 1 36 LYS HB2 . . 4.580 3.836 2.867 4.580 . 0 0 "[ . 1]" 1
311 1 33 ASP HB2 1 36 LYS QB . . 3.870 3.274 2.830 3.497 . 0 0 "[ . 1]" 1
312 1 33 ASP HB2 1 36 LYS HB3 . . 4.580 4.060 3.398 4.587 0.007 4 0 "[ . 1]" 1
313 1 33 ASP HB2 1 38 THR HB . . 4.180 4.102 3.339 4.189 0.009 1 0 "[ . 1]" 1
314 1 33 ASP HB2 1 38 THR MG . . 4.670 4.420 4.026 4.545 . 0 0 "[ . 1]" 1
315 1 33 ASP HB3 1 36 LYS HA . . 4.920 4.889 4.810 4.928 0.008 1 0 "[ . 1]" 1
316 1 33 ASP HB3 1 36 LYS QB . . 4.080 2.051 1.910 2.378 . 0 0 "[ . 1]" 1
317 1 33 ASP HB3 1 38 THR HB . . 4.920 4.217 4.059 4.929 0.009 8 0 "[ . 1]" 1
318 1 34 LYS H 1 34 LYS HB2 . . 3.950 2.658 2.409 3.587 . 0 0 "[ . 1]" 1
319 1 34 LYS H 1 34 LYS QB . . 3.440 2.294 2.165 2.457 . 0 0 "[ . 1]" 1
320 1 34 LYS H 1 34 LYS HB3 . . 3.950 2.802 2.440 3.585 . 0 0 "[ . 1]" 1
321 1 34 LYS H 1 35 ASP H . . 4.310 2.917 2.872 3.040 . 0 0 "[ . 1]" 1
322 1 34 LYS HA 1 34 LYS QD . . 4.430 3.777 2.224 4.434 0.004 7 0 "[ . 1]" 1
323 1 34 LYS HA 1 34 LYS HG2 . . 4.110 3.231 2.470 3.880 . 0 0 "[ . 1]" 1
324 1 34 LYS HA 1 34 LYS QG . . 3.530 2.755 2.362 3.428 . 0 0 "[ . 1]" 1
325 1 34 LYS HA 1 34 LYS HG3 . . 4.110 3.122 2.587 3.858 . 0 0 "[ . 1]" 1
326 1 34 LYS QB 1 34 LYS QD . . 3.150 2.300 2.140 2.821 . 0 0 "[ . 1]" 1
327 1 34 LYS QB 1 34 LYS QE . . 3.870 3.079 2.172 3.725 . 0 0 "[ . 1]" 1
328 1 34 LYS QB 1 35 ASP H . . 3.750 2.868 2.650 3.633 . 0 0 "[ . 1]" 1
329 1 34 LYS HB2 1 35 ASP H . . 4.420 3.637 2.731 4.048 . 0 0 "[ . 1]" 1
330 1 34 LYS HB3 1 35 ASP H . . 4.420 3.284 2.704 4.194 . 0 0 "[ . 1]" 1
331 1 34 LYS QE 1 34 LYS QG . . 3.330 2.373 2.199 2.884 . 0 0 "[ . 1]" 1
332 1 35 ASP H 1 35 ASP HB2 . . 3.770 2.823 2.405 3.658 . 0 0 "[ . 1]" 1
333 1 35 ASP H 1 35 ASP QB . . 3.190 2.338 2.202 2.636 . 0 0 "[ . 1]" 1
334 1 35 ASP H 1 35 ASP HB3 . . 3.770 2.643 2.470 3.598 . 0 0 "[ . 1]" 1
335 1 35 ASP HB2 1 36 LYS H . . 4.090 3.888 2.863 4.058 . 0 0 "[ . 1]" 1
336 1 35 ASP HB3 1 36 LYS H . . 4.090 3.277 2.742 4.098 0.008 1 0 "[ . 1]" 1
337 1 36 LYS H 1 36 LYS HB2 . . 4.030 2.463 2.242 2.651 . 0 0 "[ . 1]" 1
338 1 36 LYS H 1 36 LYS QB . . 3.480 2.280 2.219 2.362 . 0 0 "[ . 1]" 1
339 1 36 LYS H 1 36 LYS HB3 . . 4.030 3.043 2.479 3.622 . 0 0 "[ . 1]" 1
340 1 36 LYS H 1 36 LYS HG2 . . 4.700 4.067 2.657 4.627 . 0 0 "[ . 1]" 1
341 1 36 LYS H 1 36 LYS QG . . 4.090 3.324 2.585 4.063 . 0 0 "[ . 1]" 1
342 1 36 LYS H 1 36 LYS HG3 . . 4.700 3.693 2.632 4.559 . 0 0 "[ . 1]" 1
343 1 36 LYS H 1 37 GLY HA2 . . 5.010 4.630 4.623 4.636 . 0 0 "[ . 1]" 1
344 1 36 LYS H 1 37 GLY QA . . 4.270 4.272 4.268 4.276 0.006 6 0 "[ . 1]" 1
345 1 36 LYS H 1 37 GLY HA3 . . 5.010 5.014 5.013 5.015 0.005 9 0 "[ . 1]" 1
346 1 36 LYS H 1 38 THR H . . 4.150 4.011 3.869 4.149 . 0 0 "[ . 1]" 1
347 1 36 LYS HA 1 36 LYS QE . . 4.290 3.725 2.823 4.291 0.001 4 0 "[ . 1]" 1
348 1 36 LYS HA 1 36 LYS HG2 . . 3.730 3.047 2.486 3.738 0.008 10 0 "[ . 1]" 1
349 1 36 LYS HA 1 36 LYS HG3 . . 3.730 3.022 2.518 3.735 0.005 9 0 "[ . 1]" 1
350 1 36 LYS HA 1 38 THR MG . . 5.500 5.248 5.038 5.485 . 0 0 "[ . 1]" 1
351 1 36 LYS QB 1 36 LYS QD . . 3.190 2.547 2.329 2.930 . 0 0 "[ . 1]" 1
352 1 36 LYS QB 1 36 LYS QE . . 4.340 2.345 2.124 3.647 . 0 0 "[ . 1]" 1
353 1 36 LYS QB 1 37 GLY H . . 4.330 2.736 2.637 2.820 . 0 0 "[ . 1]" 1
354 1 36 LYS QB 1 38 THR MG . . 4.410 3.191 2.839 3.580 . 0 0 "[ . 1]" 1
355 1 36 LYS QB 1 91 GLN QE . . 4.500 3.849 2.761 4.502 0.002 10 0 "[ . 1]" 1
356 1 36 LYS QD 1 38 THR MG . . 4.490 3.558 2.218 4.152 . 0 0 "[ . 1]" 1
357 1 36 LYS QE 1 36 LYS QG . . 3.330 2.468 2.191 2.892 . 0 0 "[ . 1]" 1
358 1 36 LYS QE 1 38 THR MG . . 5.110 3.813 2.558 5.111 0.001 10 0 "[ . 1]" 1
359 1 36 LYS QG 1 38 THR MG . . 4.590 3.451 2.234 4.592 0.002 8 0 "[ . 1]" 1
360 1 37 GLY H 1 38 THR MG . . 5.380 4.918 4.726 5.053 . 0 0 "[ . 1]" 1
361 1 37 GLY QA 1 38 THR MG . . 5.230 4.695 4.506 4.818 . 0 0 "[ . 1]" 1
362 1 37 GLY QA 1 39 PHE HZ . . 4.240 3.813 3.542 4.059 . 0 0 "[ . 1]" 1
363 1 37 GLY QA 1 97 LEU QD . . 3.300 2.837 2.158 3.304 0.004 7 0 "[ . 1]" 1
364 1 37 GLY HA2 1 39 PHE HZ . . 4.930 3.976 3.631 4.319 . 0 0 "[ . 1]" 1
365 1 37 GLY HA3 1 39 PHE HZ . . 4.930 4.931 4.926 4.934 0.004 9 0 "[ . 1]" 1
366 1 38 THR H 1 38 THR HB . . 3.780 3.474 3.384 3.590 . 0 0 "[ . 1]" 1
367 1 38 THR H 1 38 THR MG . . 3.500 3.077 2.863 3.280 . 0 0 "[ . 1]" 1
368 1 38 THR HA 1 38 THR MG . . 3.100 2.189 2.147 2.288 . 0 0 "[ . 1]" 1
369 1 38 THR HA 1 39 PHE H . . 3.250 2.145 2.112 2.175 . 0 0 "[ . 1]" 1
370 1 38 THR HA 1 89 THR MG . . 4.470 3.630 3.456 3.839 . 0 0 "[ . 1]" 1
371 1 38 THR HA 1 91 GLN HA . . 3.480 2.362 2.069 2.469 . 0 0 "[ . 1]" 1
372 1 38 THR HA 1 91 GLN QG . . 4.420 3.248 2.731 4.240 . 0 0 "[ . 1]" 1
373 1 38 THR HA 1 92 PHE H . . 4.130 3.841 3.491 4.117 . 0 0 "[ . 1]" 1
374 1 38 THR HB 1 39 PHE H . . 3.890 3.268 3.144 3.370 . 0 0 "[ . 1]" 1
375 1 38 THR HB 1 84 VAL QG . . 5.440 4.224 3.898 4.397 . 0 0 "[ . 1]" 1
376 1 38 THR HB 1 89 THR MG . . 3.690 2.676 2.249 2.905 . 0 0 "[ . 1]" 1
377 1 38 THR MG 1 39 PHE H . . 3.600 3.312 3.142 3.597 . 0 0 "[ . 1]" 1
378 1 38 THR MG 1 84 VAL HA . . 5.500 5.422 5.241 5.504 0.004 2 0 "[ . 1]" 1
379 1 38 THR MG 1 84 VAL MG1 . . 3.650 3.040 2.413 3.427 . 0 0 "[ . 1]" 1
380 1 38 THR MG 1 84 VAL QG . . 2.930 2.282 2.100 2.412 . 0 0 "[ . 1]" 1
381 1 38 THR MG 1 84 VAL MG2 . . 3.650 2.531 2.148 3.652 0.002 4 0 "[ . 1]" 1
382 1 38 THR MG 1 89 THR MG . . 3.040 2.247 2.108 2.617 . 0 0 "[ . 1]" 1
383 1 38 THR MG 1 91 GLN HA . . 3.570 3.175 2.622 3.501 . 0 0 "[ . 1]" 1
384 1 38 THR MG 1 91 GLN QB . . 3.980 3.196 1.829 3.897 . 0 0 "[ . 1]" 1
385 1 38 THR MG 1 91 GLN QE . . 3.640 3.440 2.773 3.642 0.002 3 0 "[ . 1]" 1
386 1 38 THR MG 1 91 GLN HG2 . . 3.650 2.381 1.989 3.654 0.004 4 0 "[ . 1]" 1
387 1 38 THR MG 1 91 GLN QG . . 3.150 2.144 1.899 2.757 . 0 0 "[ . 1]" 1
388 1 38 THR MG 1 91 GLN HG3 . . 3.650 2.730 2.147 3.654 0.004 3 0 "[ . 1]" 1
389 1 38 THR MG 1 92 PHE H . . 4.910 4.807 4.326 4.912 0.002 2 0 "[ . 1]" 1
390 1 39 PHE H 1 89 THR MG . . 4.020 3.185 3.081 3.292 . 0 0 "[ . 1]" 1
391 1 39 PHE H 1 91 GLN HA . . 4.370 3.461 3.138 3.721 . 0 0 "[ . 1]" 1
392 1 39 PHE HA 1 40 GLN H . . 3.450 2.233 2.194 2.303 . 0 0 "[ . 1]" 1
393 1 39 PHE HA 1 89 THR MG . . 4.980 4.396 4.059 4.503 . 0 0 "[ . 1]" 1
394 1 39 PHE HB2 1 40 GLN H . . 4.110 4.106 4.056 4.112 0.002 9 0 "[ . 1]" 1
395 1 39 PHE HB3 1 40 GLN H . . 4.430 3.108 2.986 3.172 . 0 0 "[ . 1]" 1
396 1 39 PHE HZ 1 97 LEU QD . . 3.750 2.204 1.957 2.562 . 0 0 "[ . 1]" 1
397 1 40 GLN HA 1 41 PHE H . . 3.310 2.202 2.113 2.397 . 0 0 "[ . 1]" 1
398 1 40 GLN HA 1 89 THR HA . . 3.590 2.357 2.186 2.600 . 0 0 "[ . 1]" 1
399 1 40 GLN HA 1 89 THR HG1 . . 4.820 4.096 3.818 4.704 . 0 0 "[ . 1]" 1
400 1 40 GLN HA 1 89 THR MG . . 4.140 3.339 3.155 3.679 . 0 0 "[ . 1]" 1
401 1 40 GLN HA 1 90 TYR H . . 4.550 3.676 3.478 3.978 . 0 0 "[ . 1]" 1
402 1 40 GLN QB 1 41 PHE HA . . 5.340 4.586 4.182 4.881 . 0 0 "[ . 1]" 1
403 1 40 GLN QB 1 89 THR HA . . 5.340 3.797 2.918 4.286 . 0 0 "[ . 1]" 1
404 1 40 GLN QB 1 89 THR MG . . 4.660 3.462 2.633 4.602 . 0 0 "[ . 1]" 1
405 1 40 GLN HB2 1 89 THR MG . . 5.500 4.087 3.007 5.252 . 0 0 "[ . 1]" 1
406 1 40 GLN HB3 1 89 THR MG . . 5.500 4.213 2.668 5.169 . 0 0 "[ . 1]" 1
407 1 40 GLN QE 1 89 THR HA . . 5.030 4.860 4.380 5.032 0.002 10 0 "[ . 1]" 1
408 1 40 GLN QE 1 89 THR MG . . 4.420 4.049 3.553 4.412 . 0 0 "[ . 1]" 1
409 1 41 PHE H 1 41 PHE HB2 . . 4.170 2.428 2.236 2.502 . 0 0 "[ . 1]" 1
410 1 41 PHE H 1 41 PHE HB3 . . 4.170 3.644 3.546 3.695 . 0 0 "[ . 1]" 1
411 1 41 PHE H 1 88 LEU HB2 . . 4.560 3.900 3.502 4.178 . 0 0 "[ . 1]" 1
412 1 41 PHE H 1 88 LEU HB3 . . 4.560 2.681 2.416 2.946 . 0 0 "[ . 1]" 1
413 1 41 PHE H 1 88 LEU MD1 . . 5.240 4.662 3.689 5.242 0.002 1 0 "[ . 1]" 1
414 1 41 PHE H 1 88 LEU QD . . 4.140 3.933 3.619 4.079 . 0 0 "[ . 1]" 1
415 1 41 PHE H 1 88 LEU MD2 . . 5.240 4.452 3.886 5.241 0.001 4 0 "[ . 1]" 1
416 1 41 PHE H 1 89 THR HA . . 5.330 3.490 3.352 3.651 . 0 0 "[ . 1]" 1
417 1 41 PHE HA 1 41 PHE HD1 . . 4.760 4.644 4.086 4.740 . 0 0 "[ . 1]" 1
418 1 41 PHE HA 1 42 SER H . . 3.480 2.282 2.244 2.327 . 0 0 "[ . 1]" 1
419 1 41 PHE QB 1 42 SER H . . 4.210 3.091 2.975 3.200 . 0 0 "[ . 1]" 1
420 1 41 PHE QB 1 88 LEU QB . . 3.930 2.238 2.075 2.470 . 0 0 "[ . 1]" 1
421 1 41 PHE QB 1 88 LEU QD . . 3.240 2.658 1.933 3.043 . 0 0 "[ . 1]" 1
422 1 41 PHE HB2 1 88 LEU MD1 . . 5.000 3.559 2.063 4.073 . 0 0 "[ . 1]" 1
423 1 41 PHE HB2 1 88 LEU MD2 . . 5.000 3.103 2.437 4.197 . 0 0 "[ . 1]" 1
424 1 41 PHE HB3 1 88 LEU MD1 . . 5.000 4.362 2.351 5.005 0.005 8 0 "[ . 1]" 1
425 1 41 PHE HB3 1 88 LEU MD2 . . 5.000 3.910 3.032 5.005 0.005 4 0 "[ . 1]" 1
426 1 41 PHE HD1 1 88 LEU HA . . 4.450 3.381 2.748 4.192 . 0 0 "[ . 1]" 1
427 1 41 PHE HD1 1 88 LEU QD . . 3.930 3.443 2.595 3.935 0.005 2 0 "[ . 1]" 1
428 1 41 PHE HD1 1 90 TYR HE1 . . 5.260 4.423 3.539 4.991 . 0 0 "[ . 1]" 1
429 1 41 PHE HE1 1 72 LEU MD1 . . 4.080 2.891 2.097 4.082 0.002 8 0 "[ . 1]" 1
430 1 41 PHE HE1 1 72 LEU QD . . 3.380 2.191 2.021 2.596 . 0 0 "[ . 1]" 1
431 1 41 PHE HE1 1 72 LEU MD2 . . 4.080 2.962 2.145 4.080 0.000 9 0 "[ . 1]" 1
432 1 41 PHE HE1 1 90 TYR HE1 . . 4.120 3.559 2.918 4.066 . 0 0 "[ . 1]" 1
433 1 41 PHE HZ 1 72 LEU MD1 . . 4.590 2.504 2.018 3.177 . 0 0 "[ . 1]" 1
434 1 41 PHE HZ 1 72 LEU QD . . 3.350 2.227 2.006 2.386 . 0 0 "[ . 1]" 1
435 1 41 PHE HZ 1 72 LEU MD2 . . 4.590 3.014 2.359 3.908 . 0 0 "[ . 1]" 1
436 1 41 PHE HZ 1 92 PHE HZ . . 4.510 4.064 3.167 4.512 0.002 2 0 "[ . 1]" 1
437 1 42 SER H 1 42 SER QB . . 3.660 2.387 2.234 2.661 . 0 0 "[ . 1]" 1
438 1 42 SER HA 1 43 SER HA . . 4.610 4.357 4.303 4.428 . 0 0 "[ . 1]" 1
439 1 43 SER HA 1 44 LYS HA . . 4.910 4.789 4.734 4.829 . 0 0 "[ . 1]" 1
440 1 43 SER HA 1 88 LEU QD . . 2.990 2.455 2.169 2.991 0.001 4 0 "[ . 1]" 1
441 1 44 LYS H 1 44 LYS HB2 . . 4.160 2.788 2.411 3.617 . 0 0 "[ . 1]" 1
442 1 44 LYS H 1 44 LYS QB . . 3.640 2.344 2.153 2.541 . 0 0 "[ . 1]" 1
443 1 44 LYS H 1 44 LYS HB3 . . 4.160 2.820 2.411 3.583 . 0 0 "[ . 1]" 1
444 1 44 LYS HA 1 44 LYS HD2 . . 5.320 4.358 3.215 4.866 . 0 0 "[ . 1]" 1
445 1 44 LYS HA 1 44 LYS QD . . 4.550 3.619 2.171 4.324 . 0 0 "[ . 1]" 1
446 1 44 LYS HA 1 44 LYS HD3 . . 5.320 4.053 2.208 4.952 . 0 0 "[ . 1]" 1
447 1 44 LYS HA 1 44 LYS HG2 . . 4.030 3.382 2.496 3.896 . 0 0 "[ . 1]" 1
448 1 44 LYS HA 1 44 LYS HG3 . . 4.030 3.319 2.624 3.851 . 0 0 "[ . 1]" 1
449 1 44 LYS QE 1 44 LYS QG . . 3.330 2.396 2.199 2.889 . 0 0 "[ . 1]" 1
450 1 45 HIS H 1 46 LYS HA . . 5.160 4.654 4.427 4.834 . 0 0 "[ . 1]" 1
451 1 45 HIS HA 1 48 ALA MB . . 4.100 2.776 2.501 2.995 . 0 0 "[ . 1]" 1
452 1 45 HIS QB 1 49 LEU H . . 4.870 3.881 3.308 4.532 . 0 0 "[ . 1]" 1
453 1 45 HIS QB 1 49 LEU HB3 . . 5.200 4.659 4.089 5.076 . 0 0 "[ . 1]" 1
454 1 45 HIS HB2 1 48 ALA MB . . 4.240 4.170 4.037 4.241 0.001 3 0 "[ . 1]" 1
455 1 45 HIS HB3 1 48 ALA MB . . 4.240 3.284 2.525 4.243 0.003 5 0 "[ . 1]" 1
456 1 46 LYS H 1 46 LYS QG . . 4.200 2.605 2.181 3.952 . 0 0 "[ . 1]" 1
457 1 46 LYS HA 1 46 LYS QG . . 3.730 2.969 2.454 3.433 . 0 0 "[ . 1]" 1
458 1 46 LYS HA 1 47 GLU HA . . 4.900 4.781 4.656 4.858 . 0 0 "[ . 1]" 1
459 1 46 LYS HA 1 48 ALA H . . 5.220 4.480 4.313 4.616 . 0 0 "[ . 1]" 1
460 1 46 LYS HA 1 49 LEU H . . 4.400 3.572 3.331 3.858 . 0 0 "[ . 1]" 1
461 1 46 LYS HA 1 50 ALA H . . 5.480 4.006 3.755 4.386 . 0 0 "[ . 1]" 1
462 1 46 LYS HA 1 65 TYR HD1 . . 5.470 4.654 4.409 4.864 . 0 0 "[ . 1]" 1
463 1 46 LYS QB 1 65 TYR HD1 . . 4.710 3.630 2.832 4.713 0.003 9 0 "[ . 1]" 1
464 1 47 GLU H 1 47 GLU HG2 . . 3.990 3.374 2.221 4.001 0.011 5 0 "[ . 1]" 1
465 1 47 GLU H 1 47 GLU HG3 . . 3.990 3.439 2.424 4.000 0.010 5 0 "[ . 1]" 1
466 1 47 GLU H 1 48 ALA MB . . 4.510 4.333 4.291 4.394 . 0 0 "[ . 1]" 1
467 1 47 GLU HA 1 50 ALA H . . 4.380 3.674 3.393 3.948 . 0 0 "[ . 1]" 1
468 1 47 GLU HA 1 50 ALA MB . . 3.530 2.651 2.180 3.310 . 0 0 "[ . 1]" 1
469 1 47 GLU HA 1 65 TYR H . . 4.560 3.905 3.092 4.365 . 0 0 "[ . 1]" 1
470 1 47 GLU HA 1 65 TYR QB . . 4.350 3.404 2.548 4.257 . 0 0 "[ . 1]" 1
471 1 47 GLU QB 1 48 ALA H . . 4.360 2.931 2.534 3.716 . 0 0 "[ . 1]" 1
472 1 47 GLU QB 1 48 ALA MB . . 5.190 4.102 3.797 4.783 . 0 0 "[ . 1]" 1
473 1 47 GLU QG 1 50 ALA MB . . 4.880 4.495 3.908 4.884 0.004 8 0 "[ . 1]" 1
474 1 48 ALA H 1 48 ALA MB . . 2.910 2.197 2.163 2.231 . 0 0 "[ . 1]" 1
475 1 48 ALA H 1 49 LEU H . . 5.010 2.682 2.603 2.817 . 0 0 "[ . 1]" 1
476 1 48 ALA HA 1 49 LEU HA . . 5.030 4.876 4.814 4.923 . 0 0 "[ . 1]" 1
477 1 48 ALA HA 1 51 HIS H . . 4.090 3.373 3.199 3.490 . 0 0 "[ . 1]" 1
478 1 48 ALA HA 1 51 HIS HB2 . . 4.020 3.261 2.352 3.556 . 0 0 "[ . 1]" 1
479 1 48 ALA HA 1 51 HIS QB . . 3.490 2.395 2.189 2.567 . 0 0 "[ . 1]" 1
480 1 48 ALA HA 1 51 HIS HB3 . . 4.020 2.617 2.226 4.021 0.001 6 0 "[ . 1]" 1
481 1 48 ALA HA 1 51 HIS HD2 . . 4.430 4.187 3.055 4.431 0.001 5 0 "[ . 1]" 1
482 1 48 ALA MB 1 49 LEU H . . 3.430 2.560 2.509 2.658 . 0 0 "[ . 1]" 1
483 1 48 ALA MB 1 49 LEU HB2 . . 4.490 3.992 3.840 4.154 . 0 0 "[ . 1]" 1
484 1 48 ALA MB 1 49 LEU HB3 . . 4.750 4.574 4.458 4.685 . 0 0 "[ . 1]" 1
485 1 48 ALA MB 1 51 HIS QB . . 4.270 3.842 3.682 3.975 . 0 0 "[ . 1]" 1
486 1 49 LEU H 1 49 LEU HB2 . . 3.740 2.340 2.236 2.473 . 0 0 "[ . 1]" 1
487 1 49 LEU H 1 49 LEU HB3 . . 3.880 2.367 2.298 2.428 . 0 0 "[ . 1]" 1
488 1 49 LEU H 1 49 LEU HG . . 4.700 4.410 4.348 4.520 . 0 0 "[ . 1]" 1
489 1 49 LEU H 1 50 ALA H . . 5.430 2.797 2.728 2.930 . 0 0 "[ . 1]" 1
490 1 49 LEU H 1 50 ALA MB . . 4.720 4.382 4.265 4.607 . 0 0 "[ . 1]" 1
491 1 49 LEU HA 1 49 LEU QD . . 3.840 2.785 2.200 3.177 . 0 0 "[ . 1]" 1
492 1 49 LEU HA 1 49 LEU HG . . 3.880 3.164 2.677 3.850 . 0 0 "[ . 1]" 1
493 1 49 LEU HB2 1 50 ALA H . . 4.090 3.731 3.635 3.797 . 0 0 "[ . 1]" 1
494 1 49 LEU HB3 1 50 ALA H . . 4.110 2.325 2.221 2.389 . 0 0 "[ . 1]" 1
495 1 49 LEU HB3 1 50 ALA MB . . 4.140 3.861 3.766 3.937 . 0 0 "[ . 1]" 1
496 1 49 LEU HG 1 50 ALA H . . 4.520 4.526 4.523 4.529 0.009 8 0 "[ . 1]" 1
497 1 49 LEU HG 1 50 ALA HA . . 5.490 5.432 5.307 5.495 0.005 2 0 "[ . 1]" 1
498 1 50 ALA H 1 50 ALA MB . . 3.040 2.231 2.200 2.284 . 0 0 "[ . 1]" 1
499 1 50 ALA HA 1 53 TRP H . . 3.770 3.581 3.376 3.758 . 0 0 "[ . 1]" 1
500 1 50 ALA HA 1 53 TRP QB . . 3.870 2.643 2.388 2.892 . 0 0 "[ . 1]" 1
501 1 50 ALA MB 1 51 HIS H . . 3.560 2.555 2.494 2.632 . 0 0 "[ . 1]" 1
502 1 50 ALA MB 1 63 MET HG2 . . 4.590 3.702 3.244 4.065 . 0 0 "[ . 1]" 1
503 1 50 ALA MB 1 63 MET QG . . 3.780 3.007 2.259 3.787 0.007 5 0 "[ . 1]" 1
504 1 50 ALA MB 1 63 MET HG3 . . 4.590 3.510 2.284 4.593 0.003 1 0 "[ . 1]" 1
505 1 50 ALA MB 1 64 THR H . . 4.760 3.803 3.344 4.482 . 0 0 "[ . 1]" 1
506 1 50 ALA MB 1 64 THR HA . . 3.690 2.733 2.231 3.202 . 0 0 "[ . 1]" 1
507 1 50 ALA MB 1 64 THR MG . . 4.730 4.488 4.263 4.732 0.002 10 0 "[ . 1]" 1
508 1 50 ALA MB 1 65 TYR H . . 3.960 3.232 2.874 3.574 . 0 0 "[ . 1]" 1
509 1 50 ALA MB 1 65 TYR HA . . 3.210 2.529 2.345 2.913 . 0 0 "[ . 1]" 1
510 1 50 ALA MB 1 65 TYR QB . . 3.420 3.193 2.553 3.423 0.003 1 0 "[ . 1]" 1
511 1 50 ALA MB 1 65 TYR HD1 . . 4.290 3.327 2.849 3.925 . 0 0 "[ . 1]" 1
512 1 50 ALA MB 1 68 MET H . . 4.800 4.160 3.662 4.450 . 0 0 "[ . 1]" 1
513 1 50 ALA MB 1 68 MET HB2 . . 5.060 3.371 2.585 3.728 . 0 0 "[ . 1]" 1
514 1 50 ALA MB 1 68 MET QB . . 4.410 3.035 2.419 3.370 . 0 0 "[ . 1]" 1
515 1 50 ALA MB 1 68 MET HB3 . . 5.060 3.473 2.913 3.844 . 0 0 "[ . 1]" 1
516 1 53 TRP H 1 53 TRP HB2 . . 4.040 2.609 2.537 2.689 . 0 0 "[ . 1]" 1
517 1 53 TRP H 1 53 TRP HB3 . . 4.040 2.398 2.331 2.514 . 0 0 "[ . 1]" 1
518 1 53 TRP H 1 56 GLN H . . 4.450 4.460 4.457 4.464 0.014 5 0 "[ . 1]" 1
519 1 53 TRP HA 1 53 TRP HE3 . . 3.800 2.225 2.124 2.542 . 0 0 "[ . 1]" 1
520 1 53 TRP HA 1 56 GLN H . . 4.700 3.231 3.011 3.325 . 0 0 "[ . 1]" 1
521 1 53 TRP HA 1 56 GLN QB . . 4.060 2.694 2.249 3.705 . 0 0 "[ . 1]" 1
522 1 53 TRP HA 1 56 GLN QG . . 4.500 3.103 1.935 4.437 . 0 0 "[ . 1]" 1
523 1 53 TRP QB 1 54 GLY H . . 4.030 2.611 2.547 2.689 . 0 0 "[ . 1]" 1
524 1 53 TRP HB2 1 54 GLY H . . 4.590 4.004 3.945 4.072 . 0 0 "[ . 1]" 1
525 1 53 TRP HB3 1 54 GLY H . . 4.590 2.646 2.578 2.728 . 0 0 "[ . 1]" 1
526 1 53 TRP HD1 1 63 MET QB . . 4.170 3.942 3.339 4.173 0.003 3 0 "[ . 1]" 1
527 1 53 TRP HD1 1 63 MET HG2 . . 4.340 2.900 2.254 4.345 0.005 5 0 "[ . 1]" 1
528 1 53 TRP HD1 1 63 MET HG3 . . 4.340 3.621 2.489 4.344 0.004 8 0 "[ . 1]" 1
529 1 53 TRP HE1 1 57 LYS QD . . 5.090 3.678 2.928 4.848 . 0 0 "[ . 1]" 1
530 1 53 TRP HE3 1 56 GLN QB . . 4.260 3.286 2.571 4.267 0.007 9 0 "[ . 1]" 1
531 1 53 TRP HE3 1 56 GLN QG . . 4.460 3.015 2.317 3.925 . 0 0 "[ . 1]" 1
532 1 53 TRP HH2 1 57 LYS QE . . 4.210 3.923 3.330 4.212 0.002 10 0 "[ . 1]" 1
533 1 53 TRP HZ2 1 57 LYS QD . . 4.020 3.089 2.567 4.019 . 0 0 "[ . 1]" 1
534 1 53 TRP HZ2 1 57 LYS HE2 . . 4.230 3.531 2.224 4.232 0.002 1 0 "[ . 1]" 1
535 1 53 TRP HZ2 1 57 LYS HE3 . . 4.230 3.572 2.432 4.234 0.004 7 0 "[ . 1]" 1
536 1 53 TRP HZ2 1 57 LYS QG . . 4.690 4.048 3.421 4.691 0.001 4 0 "[ . 1]" 1
537 1 53 TRP HZ3 1 56 GLN QB . . 5.230 4.010 2.812 4.977 . 0 0 "[ . 1]" 1
538 1 53 TRP HZ3 1 56 GLN HG2 . . 4.860 3.878 3.279 4.862 0.002 3 0 "[ . 1]" 1
539 1 53 TRP HZ3 1 56 GLN QG . . 4.020 3.195 2.912 3.418 . 0 0 "[ . 1]" 1
540 1 53 TRP HZ3 1 56 GLN HG3 . . 4.860 3.662 3.222 4.861 0.001 7 0 "[ . 1]" 1
541 1 54 GLY H 1 63 MET QB . . 3.840 3.093 2.689 3.797 . 0 0 "[ . 1]" 1
542 1 54 GLY H 1 63 MET QG . . 4.500 3.682 2.810 4.501 0.001 1 0 "[ . 1]" 1
543 1 54 GLY QA 1 63 MET H . . 4.410 3.187 2.069 3.753 . 0 0 "[ . 1]" 1
544 1 54 GLY QA 1 63 MET QB . . 3.400 2.223 2.035 2.348 . 0 0 "[ . 1]" 1
545 1 54 GLY HA2 1 63 MET HB2 . . 4.500 3.120 2.741 3.746 . 0 0 "[ . 1]" 1
546 1 54 GLY HA2 1 63 MET HB3 . . 4.500 3.244 2.622 4.503 0.003 9 0 "[ . 1]" 1
547 1 54 GLY HA3 1 63 MET HB2 . . 4.500 3.182 2.330 4.309 . 0 0 "[ . 1]" 1
548 1 54 GLY HA3 1 63 MET HB3 . . 4.500 2.652 2.194 4.137 . 0 0 "[ . 1]" 1
549 1 55 ILE HA 1 56 GLN HA . . 5.280 4.699 4.570 4.774 . 0 0 "[ . 1]" 1
550 1 56 GLN H 1 56 GLN QB . . 3.210 2.360 2.191 2.527 . 0 0 "[ . 1]" 1
551 1 56 GLN H 1 56 GLN HG2 . . 4.640 3.679 2.524 4.641 0.001 1 0 "[ . 1]" 1
552 1 56 GLN H 1 56 GLN HG3 . . 4.640 4.123 2.950 4.549 . 0 0 "[ . 1]" 1
553 1 56 GLN H 1 57 LYS H . . 2.850 2.821 2.745 2.854 0.004 7 0 "[ . 1]" 1
554 1 56 GLN HA 1 56 GLN QE . . 4.490 3.386 2.466 4.490 . 0 0 "[ . 1]" 1
555 1 56 GLN HA 1 56 GLN HG2 . . 4.160 3.710 3.100 4.165 0.005 6 0 "[ . 1]" 1
556 1 56 GLN HA 1 56 GLN HG3 . . 4.160 3.459 2.570 3.858 . 0 0 "[ . 1]" 1
557 1 56 GLN HA 1 57 LYS HA . . 5.500 4.778 4.560 4.888 . 0 0 "[ . 1]" 1
558 1 56 GLN HA 1 58 GLY H . . 5.160 4.586 4.164 4.897 . 0 0 "[ . 1]" 1
559 1 56 GLN QB 1 58 GLY H . . 5.340 5.033 4.696 5.342 0.002 9 0 "[ . 1]" 1
560 1 57 LYS H 1 57 LYS QB . . 3.650 2.346 2.155 2.838 . 0 0 "[ . 1]" 1
561 1 57 LYS H 1 57 LYS QG . . 4.640 2.868 2.228 4.007 . 0 0 "[ . 1]" 1
562 1 57 LYS HA 1 57 LYS QD . . 4.160 3.355 2.203 4.171 0.011 4 0 "[ . 1]" 1
563 1 57 LYS HA 1 57 LYS QG . . 3.340 2.864 2.373 3.349 0.009 7 0 "[ . 1]" 1
564 1 57 LYS QE 1 57 LYS QG . . 3.250 2.414 2.222 2.982 . 0 0 "[ . 1]" 1
565 1 59 ASN H 1 59 ASN QB . . 3.660 2.457 2.198 2.854 . 0 0 "[ . 1]" 1
566 1 60 ARG HA 1 60 ARG QD . . 3.810 3.022 2.215 3.827 0.017 7 0 "[ . 1]" 1
567 1 60 ARG HA 1 60 ARG HG2 . . 4.160 3.155 2.280 3.869 . 0 0 "[ . 1]" 1
568 1 60 ARG HA 1 60 ARG QG . . 3.600 2.848 2.219 3.387 . 0 0 "[ . 1]" 1
569 1 60 ARG HA 1 60 ARG HG3 . . 4.160 3.555 2.543 3.870 . 0 0 "[ . 1]" 1
570 1 60 ARG QB 1 60 ARG QD . . 3.250 2.437 1.864 2.898 . 0 0 "[ . 1]" 1
571 1 60 ARG QB 1 61 LYS H . . 4.160 2.905 2.273 3.735 . 0 0 "[ . 1]" 1
572 1 61 LYS HA 1 62 LYS HA . . 4.460 4.259 4.088 4.398 . 0 0 "[ . 1]" 1
573 1 62 LYS H 1 62 LYS QG . . 4.620 3.386 2.237 4.056 . 0 0 "[ . 1]" 1
574 1 62 LYS HA 1 62 LYS QD . . 4.070 3.573 2.238 4.077 0.007 8 0 "[ . 1]" 1
575 1 62 LYS HA 1 62 LYS HG2 . . 4.250 3.524 2.567 4.109 . 0 0 "[ . 1]" 1
576 1 62 LYS HA 1 62 LYS QG . . 3.660 3.111 2.470 3.584 . 0 0 "[ . 1]" 1
577 1 62 LYS HA 1 62 LYS HG3 . . 4.250 3.639 2.926 4.253 0.003 6 0 "[ . 1]" 1
578 1 62 LYS HA 1 63 MET H . . 3.110 2.240 2.150 2.386 . 0 0 "[ . 1]" 1
579 1 62 LYS HA 1 63 MET HA . . 4.460 4.380 4.183 4.461 0.001 1 0 "[ . 1]" 1
580 1 62 LYS QB 1 62 LYS QD . . 3.300 2.334 2.023 2.959 . 0 0 "[ . 1]" 1
581 1 62 LYS QB 1 63 MET H . . 4.330 3.216 2.543 3.841 . 0 0 "[ . 1]" 1
582 1 62 LYS QB 1 63 MET HA . . 5.050 4.608 4.112 4.992 . 0 0 "[ . 1]" 1
583 1 62 LYS QD 1 63 MET HA . . 4.590 4.451 3.697 4.594 0.004 9 0 "[ . 1]" 1
584 1 62 LYS QG 1 63 MET HA . . 4.880 4.257 3.342 4.881 0.001 4 0 "[ . 1]" 1
585 1 63 MET HA 1 67 LYS QB . . 3.800 3.167 3.006 3.409 . 0 0 "[ . 1]" 1
586 1 63 MET HA 1 67 LYS QD . . 3.670 2.172 2.054 2.276 . 0 0 "[ . 1]" 1
587 1 63 MET HA 1 67 LYS QG . . 4.010 4.007 3.967 4.016 0.006 6 0 "[ . 1]" 1
588 1 63 MET QB 1 67 LYS QB . . 4.520 4.255 3.769 4.524 0.004 10 0 "[ . 1]" 1
589 1 64 THR H 1 64 THR MG . . 3.400 2.429 2.319 2.549 . 0 0 "[ . 1]" 1
590 1 64 THR H 1 67 LYS QB . . 3.540 2.207 2.076 2.305 . 0 0 "[ . 1]" 1
591 1 64 THR H 1 67 LYS QD . . 4.150 2.835 2.156 3.247 . 0 0 "[ . 1]" 1
592 1 64 THR HA 1 64 THR MG . . 3.330 3.092 2.381 3.275 . 0 0 "[ . 1]" 1
593 1 64 THR HA 1 65 TYR H . . 3.490 2.586 2.468 2.660 . 0 0 "[ . 1]" 1
594 1 64 THR HA 1 67 LYS QB . . 4.750 4.655 4.525 4.753 0.003 7 0 "[ . 1]" 1
595 1 64 THR HB 1 65 TYR H . . 3.940 3.510 2.254 3.900 . 0 0 "[ . 1]" 1
596 1 64 THR HB 1 67 LYS QB . . 5.010 4.700 4.329 5.012 0.002 5 0 "[ . 1]" 1
597 1 64 THR MG 1 65 TYR H . . 3.960 3.213 2.933 3.749 . 0 0 "[ . 1]" 1
598 1 64 THR MG 1 65 TYR QB . . 4.920 4.293 3.920 4.925 0.005 8 0 "[ . 1]" 1
599 1 64 THR MG 1 66 GLN H . . 4.240 2.848 2.344 4.242 0.002 6 0 "[ . 1]" 1
600 1 64 THR MG 1 66 GLN QB . . 4.450 3.459 2.649 4.166 . 0 0 "[ . 1]" 1
601 1 64 THR MG 1 67 LYS H . . 4.600 2.659 2.080 4.050 . 0 0 "[ . 1]" 1
602 1 64 THR MG 1 67 LYS QB . . 4.040 2.874 2.210 4.042 0.002 8 0 "[ . 1]" 1
603 1 64 THR MG 1 67 LYS QD . . 4.190 3.194 2.844 3.622 . 0 0 "[ . 1]" 1
604 1 64 THR MG 1 67 LYS HG2 . . 4.690 4.417 3.691 4.692 0.002 3 0 "[ . 1]" 1
605 1 64 THR MG 1 67 LYS QG . . 4.120 3.365 2.113 4.122 0.002 9 0 "[ . 1]" 1
606 1 64 THR MG 1 67 LYS HG3 . . 4.690 3.604 2.125 4.573 . 0 0 "[ . 1]" 1
607 1 65 TYR H 1 65 TYR HB2 . . 4.110 2.593 2.510 2.627 . 0 0 "[ . 1]" 1
608 1 65 TYR H 1 65 TYR HB3 . . 4.110 2.484 2.376 2.589 . 0 0 "[ . 1]" 1
609 1 65 TYR HA 1 65 TYR HD1 . . 3.630 2.321 2.201 2.505 . 0 0 "[ . 1]" 1
610 1 65 TYR HA 1 68 MET H . . 4.470 3.636 3.199 4.105 . 0 0 "[ . 1]" 1
611 1 65 TYR QB 1 65 TYR HD1 . . 3.230 2.707 2.645 2.766 . 0 0 "[ . 1]" 1
612 1 65 TYR QB 1 66 GLN H . . 4.060 2.712 2.574 2.854 . 0 0 "[ . 1]" 1
613 1 65 TYR HB2 1 66 GLN H . . 4.610 4.106 4.026 4.205 . 0 0 "[ . 1]" 1
614 1 65 TYR HB3 1 66 GLN H . . 4.610 2.751 2.604 2.904 . 0 0 "[ . 1]" 1
615 1 65 TYR HD1 1 66 GLN HA . . 5.500 5.504 5.502 5.506 0.006 4 0 "[ . 1]" 1
616 1 65 TYR HD1 1 69 ALA MB . . 4.210 3.993 3.756 4.202 . 0 0 "[ . 1]" 1
617 1 65 TYR HE1 1 69 ALA MB . . 3.820 3.553 3.245 3.821 0.001 3 0 "[ . 1]" 1
618 1 66 GLN H 1 66 GLN HB2 . . 3.760 3.024 2.444 3.655 . 0 0 "[ . 1]" 1
619 1 66 GLN H 1 66 GLN QB . . 3.280 2.494 2.207 2.669 . 0 0 "[ . 1]" 1
620 1 66 GLN H 1 66 GLN HB3 . . 3.760 2.994 2.475 3.708 . 0 0 "[ . 1]" 1
621 1 66 GLN H 1 66 GLN HG2 . . 4.600 2.876 2.205 4.601 0.001 8 0 "[ . 1]" 1
622 1 66 GLN H 1 66 GLN HG3 . . 4.600 3.756 3.428 4.530 . 0 0 "[ . 1]" 1
623 1 66 GLN HA 1 66 GLN HG2 . . 3.890 3.637 3.240 3.884 . 0 0 "[ . 1]" 1
624 1 66 GLN HA 1 66 GLN HG3 . . 3.890 3.568 2.627 3.892 0.002 1 0 "[ . 1]" 1
625 1 66 GLN HA 1 67 LYS HA . . 4.880 4.748 4.604 4.832 . 0 0 "[ . 1]" 1
626 1 66 GLN HA 1 69 ALA H . . 4.140 3.284 3.051 3.435 . 0 0 "[ . 1]" 1
627 1 66 GLN HA 1 69 ALA HA . . 5.220 5.093 4.832 5.221 0.001 4 0 "[ . 1]" 1
628 1 66 GLN HA 1 69 ALA MB . . 3.400 2.296 2.113 2.473 . 0 0 "[ . 1]" 1
629 1 66 GLN HA 1 70 ARG H . . 4.730 3.911 3.729 4.315 . 0 0 "[ . 1]" 1
630 1 66 GLN QB 1 67 LYS H . . 3.670 2.973 2.389 3.664 . 0 0 "[ . 1]" 1
631 1 66 GLN QB 1 69 ALA MB . . 4.530 3.829 3.438 4.235 . 0 0 "[ . 1]" 1
632 1 66 GLN HB2 1 67 LYS H . . 4.190 3.406 2.424 4.043 . 0 0 "[ . 1]" 1
633 1 66 GLN HB3 1 67 LYS H . . 4.190 3.667 2.724 4.192 0.002 3 0 "[ . 1]" 1
634 1 66 GLN QG 1 67 LYS HA . . 5.120 4.279 3.597 5.135 0.015 1 0 "[ . 1]" 1
635 1 67 LYS H 1 67 LYS QB . . 3.180 2.323 2.180 2.464 . 0 0 "[ . 1]" 1
636 1 67 LYS H 1 67 LYS HG2 . . 4.580 3.993 3.484 4.494 . 0 0 "[ . 1]" 1
637 1 67 LYS H 1 67 LYS HG3 . . 4.580 3.470 2.402 4.477 . 0 0 "[ . 1]" 1
638 1 67 LYS HA 1 67 LYS QD . . 4.610 4.085 3.910 4.347 . 0 0 "[ . 1]" 1
639 1 67 LYS HA 1 67 LYS HG2 . . 4.110 2.923 2.469 3.381 . 0 0 "[ . 1]" 1
640 1 67 LYS HA 1 67 LYS QG . . 3.470 2.492 2.394 2.588 . 0 0 "[ . 1]" 1
641 1 67 LYS HA 1 67 LYS HG3 . . 4.110 2.933 2.543 3.321 . 0 0 "[ . 1]" 1
642 1 67 LYS QB 1 67 LYS QD . . 3.050 2.210 2.101 2.473 . 0 0 "[ . 1]" 1
643 1 67 LYS QB 1 68 MET H . . 3.590 2.547 2.484 2.614 . 0 0 "[ . 1]" 1
644 1 68 MET H 1 68 MET QB . . 3.700 2.215 2.184 2.246 . 0 0 "[ . 1]" 1
645 1 68 MET H 1 69 ALA MB . . 4.380 4.369 4.290 4.381 0.001 5 0 "[ . 1]" 1
646 1 68 MET HA 1 68 MET QG . . 3.510 2.486 2.431 2.532 . 0 0 "[ . 1]" 1
647 1 68 MET HA 1 71 ALA H . . 4.390 3.623 3.526 3.782 . 0 0 "[ . 1]" 1
648 1 68 MET HA 1 71 ALA MB . . 3.470 2.750 2.563 2.971 . 0 0 "[ . 1]" 1
649 1 68 MET QB 1 68 MET ME . . 3.940 2.512 2.121 3.466 . 0 0 "[ . 1]" 1
650 1 68 MET QB 1 69 ALA MB . . 4.970 3.873 3.782 3.954 . 0 0 "[ . 1]" 1
651 1 68 MET QB 1 71 ALA MB . . 5.340 4.468 4.318 4.659 . 0 0 "[ . 1]" 1
652 1 68 MET QB 1 72 LEU QD . . 5.030 4.505 4.204 4.747 . 0 0 "[ . 1]" 1
653 1 68 MET ME 1 69 ALA HA . . 5.500 3.820 3.172 4.486 . 0 0 "[ . 1]" 1
654 1 68 MET QG 1 69 ALA HA . . 4.440 3.778 3.385 4.442 0.002 2 0 "[ . 1]" 1
655 1 68 MET QG 1 72 LEU QD . . 5.280 3.074 2.395 3.641 . 0 0 "[ . 1]" 1
656 1 69 ALA H 1 69 ALA MB . . 2.930 2.195 2.180 2.229 . 0 0 "[ . 1]" 1
657 1 69 ALA HA 1 72 LEU H . . 4.160 3.332 3.135 3.445 . 0 0 "[ . 1]" 1
658 1 69 ALA HA 1 72 LEU HB2 . . 3.870 3.190 3.043 3.514 . 0 0 "[ . 1]" 1
659 1 69 ALA HA 1 72 LEU HB3 . . 3.960 2.432 2.003 2.752 . 0 0 "[ . 1]" 1
660 1 69 ALA HA 1 72 LEU QD . . 3.820 3.175 2.587 3.544 . 0 0 "[ . 1]" 1
661 1 69 ALA HA 1 72 LEU HG . . 5.500 4.925 3.988 5.438 . 0 0 "[ . 1]" 1
662 1 69 ALA HA 1 73 ARG H . . 4.560 3.720 3.478 3.851 . 0 0 "[ . 1]" 1
663 1 69 ALA HA 1 73 ARG QB . . 4.820 4.562 4.267 4.824 0.004 3 0 "[ . 1]" 1
664 1 69 ALA MB 1 70 ARG H . . 3.320 2.583 2.518 2.681 . 0 0 "[ . 1]" 1
665 1 69 ALA MB 1 70 ARG HA . . 4.380 3.955 3.888 3.984 . 0 0 "[ . 1]" 1
666 1 69 ALA MB 1 70 ARG QD . . 4.340 4.299 4.071 4.346 0.006 7 0 "[ . 1]" 1
667 1 69 ALA MB 1 70 ARG QG . . 3.550 3.376 3.034 3.550 0.000 8 0 "[ . 1]" 1
668 1 69 ALA MB 1 71 ALA H . . 5.070 4.687 4.659 4.749 . 0 0 "[ . 1]" 1
669 1 69 ALA MB 1 72 LEU H . . 5.280 4.618 4.503 4.708 . 0 0 "[ . 1]" 1
670 1 69 ALA MB 1 72 LEU HB2 . . 5.020 4.759 4.664 5.020 0.000 5 0 "[ . 1]" 1
671 1 69 ALA MB 1 72 LEU HB3 . . 4.570 3.960 3.591 4.214 . 0 0 "[ . 1]" 1
672 1 69 ALA MB 1 72 LEU MD1 . . 5.500 4.857 4.255 5.508 0.008 7 0 "[ . 1]" 1
673 1 69 ALA MB 1 72 LEU MD2 . . 5.500 4.541 3.468 5.345 . 0 0 "[ . 1]" 1
674 1 69 ALA MB 1 73 ARG H . . 5.500 4.337 4.056 4.475 . 0 0 "[ . 1]" 1
675 1 69 ALA MB 1 73 ARG QB . . 5.090 4.090 3.938 4.312 . 0 0 "[ . 1]" 1
676 1 70 ARG H 1 70 ARG QB . . 3.200 2.347 2.195 2.400 . 0 0 "[ . 1]" 1
677 1 70 ARG H 1 70 ARG QG . . 3.920 2.340 2.278 2.387 . 0 0 "[ . 1]" 1
678 1 70 ARG HA 1 70 ARG QD . . 3.670 2.641 2.153 3.696 0.026 6 0 "[ . 1]" 1
679 1 70 ARG HA 1 70 ARG HG2 . . 3.800 2.747 2.123 3.034 . 0 0 "[ . 1]" 1
680 1 70 ARG HA 1 70 ARG HG3 . . 3.800 3.377 2.308 3.805 0.005 4 0 "[ . 1]" 1
681 1 70 ARG HA 1 71 ALA HA . . 4.810 4.790 4.732 4.813 0.003 10 0 "[ . 1]" 1
682 1 70 ARG HA 1 73 ARG H . . 4.030 3.587 3.368 3.874 . 0 0 "[ . 1]" 1
683 1 70 ARG HA 1 73 ARG QB . . 3.660 2.904 2.490 3.664 0.004 4 0 "[ . 1]" 1
684 1 70 ARG HA 1 73 ARG QD . . 4.300 3.514 2.494 4.301 0.001 1 0 "[ . 1]" 1
685 1 70 ARG QB 1 70 ARG QD . . 3.260 2.338 2.066 2.871 . 0 0 "[ . 1]" 1
686 1 70 ARG QB 1 71 ALA H . . 3.650 2.637 2.603 2.691 . 0 0 "[ . 1]" 1
687 1 70 ARG QB 1 71 ALA MB . . 3.840 3.842 3.840 3.845 0.005 7 0 "[ . 1]" 1
688 1 71 ALA H 1 71 ALA MB . . 2.910 2.187 2.148 2.226 . 0 0 "[ . 1]" 1
689 1 71 ALA HA 1 73 ARG H . . 4.970 4.635 4.472 4.741 . 0 0 "[ . 1]" 1
690 1 71 ALA HA 1 74 ASN QB . . 3.420 2.864 2.670 3.043 . 0 0 "[ . 1]" 1
691 1 71 ALA HA 1 74 ASN QD . . 4.020 3.250 2.508 4.021 0.001 1 0 "[ . 1]" 1
692 1 71 ALA MB 1 72 LEU H . . 3.270 2.533 2.497 2.606 . 0 0 "[ . 1]" 1
693 1 71 ALA MB 1 72 LEU HB2 . . 4.180 3.936 3.753 4.129 . 0 0 "[ . 1]" 1
694 1 71 ALA MB 1 74 ASN QB . . 4.190 4.124 3.935 4.195 0.005 8 0 "[ . 1]" 1
695 1 72 LEU H 1 72 LEU HB2 . . 3.510 2.285 2.163 2.455 . 0 0 "[ . 1]" 1
696 1 72 LEU H 1 72 LEU HB3 . . 4.010 2.638 2.401 2.820 . 0 0 "[ . 1]" 1
697 1 72 LEU H 1 72 LEU MD1 . . 4.780 4.166 4.065 4.300 . 0 0 "[ . 1]" 1
698 1 72 LEU H 1 72 LEU QD . . 3.940 3.747 3.703 3.796 . 0 0 "[ . 1]" 1
699 1 72 LEU H 1 72 LEU MD2 . . 4.780 4.274 4.061 4.406 . 0 0 "[ . 1]" 1
700 1 72 LEU H 1 72 LEU HG . . 5.000 4.260 4.161 4.368 . 0 0 "[ . 1]" 1
701 1 72 LEU H 1 74 ASN QB . . 5.340 5.044 4.790 5.345 0.005 8 0 "[ . 1]" 1
702 1 72 LEU HA 1 72 LEU MD1 . . 3.830 3.218 2.249 3.794 . 0 0 "[ . 1]" 1
703 1 72 LEU HA 1 72 LEU QD . . 3.030 2.615 2.234 2.968 . 0 0 "[ . 1]" 1
704 1 72 LEU HA 1 72 LEU MD2 . . 3.830 3.253 2.779 3.835 0.005 8 0 "[ . 1]" 1
705 1 72 LEU HA 1 72 LEU HG . . 3.570 2.678 2.381 3.267 . 0 0 "[ . 1]" 1
706 1 72 LEU HA 1 73 ARG HA . . 4.750 4.754 4.750 4.756 0.006 10 0 "[ . 1]" 1
707 1 72 LEU HA 1 75 TYR H . . 4.500 3.816 3.663 4.042 . 0 0 "[ . 1]" 1
708 1 72 LEU HA 1 75 TYR HD1 . . 3.490 2.246 2.110 2.804 . 0 0 "[ . 1]" 1
709 1 72 LEU HA 1 75 TYR HE1 . . 4.110 2.654 2.453 2.965 . 0 0 "[ . 1]" 1
710 1 72 LEU HB2 1 72 LEU MD1 . . 3.430 2.384 2.210 2.752 . 0 0 "[ . 1]" 1
711 1 72 LEU HB2 1 72 LEU QD . . 2.940 2.193 2.178 2.230 . 0 0 "[ . 1]" 1
712 1 72 LEU HB2 1 72 LEU MD2 . . 3.430 2.949 2.283 3.308 . 0 0 "[ . 1]" 1
713 1 72 LEU HB3 1 72 LEU MD1 . . 3.390 2.812 2.475 3.334 . 0 0 "[ . 1]" 1
714 1 72 LEU HB3 1 72 LEU MD2 . . 3.390 2.361 2.107 2.488 . 0 0 "[ . 1]" 1
715 1 72 LEU HB3 1 73 ARG H . . 4.240 2.706 2.659 2.774 . 0 0 "[ . 1]" 1
716 1 72 LEU HB3 1 75 TYR HD1 . . 5.030 4.934 4.769 5.033 0.003 4 0 "[ . 1]" 1
717 1 72 LEU HB3 1 81 VAL QG . . 5.340 5.028 4.368 5.302 . 0 0 "[ . 1]" 1
718 1 72 LEU HB3 1 90 TYR HE1 . . 4.610 4.613 4.612 4.618 0.008 3 0 "[ . 1]" 1
719 1 72 LEU QD 1 73 ARG H . . 4.990 3.720 3.451 3.945 . 0 0 "[ . 1]" 1
720 1 72 LEU QD 1 75 TYR HD1 . . 3.940 2.992 2.777 3.544 . 0 0 "[ . 1]" 1
721 1 72 LEU QD 1 75 TYR HE1 . . 4.090 4.030 3.801 4.095 0.005 2 0 "[ . 1]" 1
722 1 72 LEU QD 1 81 VAL HB . . 3.880 3.282 2.881 3.817 . 0 0 "[ . 1]" 1
723 1 72 LEU QD 1 81 VAL QG . . 2.700 2.028 1.837 2.268 . 0 0 "[ . 1]" 1
724 1 72 LEU QD 1 90 TYR HD1 . . 3.870 3.121 2.445 3.482 . 0 0 "[ . 1]" 1
725 1 72 LEU QD 1 92 PHE HZ . . 5.200 3.811 3.418 4.278 . 0 0 "[ . 1]" 1
726 1 72 LEU MD1 1 75 TYR HD1 . . 5.350 4.197 2.976 5.141 . 0 0 "[ . 1]" 1
727 1 72 LEU MD1 1 90 TYR HD1 . . 4.540 3.970 3.791 4.224 . 0 0 "[ . 1]" 1
728 1 72 LEU MD1 1 90 TYR HE1 . . 4.620 3.960 3.586 4.507 . 0 0 "[ . 1]" 1
729 1 72 LEU MD2 1 75 TYR HD1 . . 5.350 3.861 2.797 5.355 0.005 8 0 "[ . 1]" 1
730 1 72 LEU MD2 1 90 TYR HD1 . . 4.540 3.299 2.475 3.775 . 0 0 "[ . 1]" 1
731 1 72 LEU MD2 1 90 TYR HE1 . . 4.620 3.046 2.360 3.586 . 0 0 "[ . 1]" 1
732 1 72 LEU HG 1 73 ARG H . . 5.440 4.506 3.540 5.089 . 0 0 "[ . 1]" 1
733 1 72 LEU HG 1 81 VAL QG . . 4.650 3.495 2.768 3.787 . 0 0 "[ . 1]" 1
734 1 73 ARG H 1 73 ARG QB . . 3.190 2.224 2.156 2.385 . 0 0 "[ . 1]" 1
735 1 73 ARG H 1 73 ARG QD . . 4.800 4.316 3.701 4.628 . 0 0 "[ . 1]" 1
736 1 73 ARG H 1 73 ARG HG2 . . 4.730 4.017 2.473 4.508 . 0 0 "[ . 1]" 1
737 1 73 ARG H 1 73 ARG HG3 . . 4.730 4.091 2.435 4.468 . 0 0 "[ . 1]" 1
738 1 73 ARG H 1 74 ASN H . . 4.560 2.827 2.724 2.891 . 0 0 "[ . 1]" 1
739 1 73 ARG H 1 74 ASN QB . . 5.340 4.625 4.268 4.847 . 0 0 "[ . 1]" 1
740 1 73 ARG HA 1 73 ARG QD . . 4.520 4.234 4.090 4.522 0.002 5 0 "[ . 1]" 1
741 1 73 ARG HA 1 73 ARG HG2 . . 4.140 3.323 2.613 3.911 . 0 0 "[ . 1]" 1
742 1 73 ARG HA 1 73 ARG QG . . 3.460 2.726 2.433 3.428 . 0 0 "[ . 1]" 1
743 1 73 ARG HA 1 73 ARG HG3 . . 4.140 2.935 2.634 3.833 . 0 0 "[ . 1]" 1
744 1 73 ARG QB 1 73 ARG QD . . 2.930 2.264 2.155 2.348 . 0 0 "[ . 1]" 1
745 1 73 ARG QB 1 73 ARG QG . . 2.360 2.139 2.121 2.148 . 0 0 "[ . 1]" 1
746 1 73 ARG QB 1 74 ASN H . . 3.830 2.911 2.602 3.674 . 0 0 "[ . 1]" 1
747 1 73 ARG QG 1 74 ASN H . . 4.550 3.600 2.602 4.412 . 0 0 "[ . 1]" 1
748 1 74 ASN H 1 74 ASN QB . . 3.000 2.278 2.098 2.399 . 0 0 "[ . 1]" 1
749 1 74 ASN HA 1 76 GLY H . . 4.110 3.586 3.416 3.845 . 0 0 "[ . 1]" 1
750 1 74 ASN HA 1 77 LYS H . . 4.110 3.977 3.863 4.113 0.003 8 0 "[ . 1]" 1
751 1 74 ASN QB 1 74 ASN QD . . 2.990 2.192 2.111 2.243 . 0 0 "[ . 1]" 1
752 1 74 ASN QB 1 75 TYR H . . 3.710 3.250 2.788 3.711 0.001 8 0 "[ . 1]" 1
753 1 74 ASN QB 1 76 GLY H . . 5.340 4.765 4.674 4.920 . 0 0 "[ . 1]" 1
754 1 75 TYR H 1 75 TYR HB2 . . 4.200 2.492 2.343 2.559 . 0 0 "[ . 1]" 1
755 1 75 TYR H 1 75 TYR QB . . 3.600 2.454 2.317 2.517 . 0 0 "[ . 1]" 1
756 1 75 TYR H 1 75 TYR HB3 . . 4.200 3.681 3.644 3.716 . 0 0 "[ . 1]" 1
757 1 75 TYR HA 1 75 TYR HD1 . . 4.080 4.061 3.970 4.096 0.016 4 0 "[ . 1]" 1
758 1 75 TYR HA 1 75 TYR HE1 . . 5.500 5.503 5.500 5.505 0.005 1 0 "[ . 1]" 1
759 1 75 TYR HA 1 78 THR H . . 4.280 3.657 3.429 3.839 . 0 0 "[ . 1]" 1
760 1 75 TYR HA 1 79 GLY H . . 4.490 4.226 3.962 4.345 . 0 0 "[ . 1]" 1
761 1 75 TYR QB 1 75 TYR HD1 . . 3.260 2.283 2.068 2.382 . 0 0 "[ . 1]" 1
762 1 75 TYR QB 1 81 VAL H . . 3.700 2.309 2.059 2.527 . 0 0 "[ . 1]" 1
763 1 75 TYR QB 1 81 VAL QG . . 3.470 2.926 1.768 3.127 . 0 0 "[ . 1]" 1
764 1 75 TYR HB2 1 75 TYR HD1 . . 3.720 2.312 2.098 2.414 . 0 0 "[ . 1]" 1
765 1 75 TYR HB2 1 81 VAL H . . 4.230 3.324 3.051 3.445 . 0 0 "[ . 1]" 1
766 1 75 TYR HB2 1 81 VAL HB . . 4.190 2.617 2.372 4.197 0.007 4 0 "[ . 1]" 1
767 1 75 TYR HB2 1 81 VAL MG1 . . 4.590 3.516 1.867 3.839 . 0 0 "[ . 1]" 1
768 1 75 TYR HB2 1 81 VAL MG2 . . 4.590 3.913 3.728 4.013 . 0 0 "[ . 1]" 1
769 1 75 TYR HB3 1 75 TYR HD1 . . 3.720 3.541 3.135 3.659 . 0 0 "[ . 1]" 1
770 1 75 TYR HB3 1 81 VAL H . . 4.230 2.356 2.093 2.599 . 0 0 "[ . 1]" 1
771 1 75 TYR HB3 1 81 VAL HB . . 4.190 3.018 2.744 4.023 . 0 0 "[ . 1]" 1
772 1 75 TYR HB3 1 81 VAL MG1 . . 4.590 4.248 2.201 4.593 0.003 5 0 "[ . 1]" 1
773 1 75 TYR HB3 1 81 VAL MG2 . . 4.590 3.748 3.537 4.602 0.012 4 0 "[ . 1]" 1
774 1 75 TYR HD1 1 81 VAL HB . . 4.160 3.713 3.455 4.178 0.018 4 0 "[ . 1]" 1
775 1 75 TYR HD1 1 81 VAL MG1 . . 5.210 4.100 2.012 4.617 . 0 0 "[ . 1]" 1
776 1 75 TYR HD1 1 81 VAL QG . . 4.210 3.691 2.007 4.108 . 0 0 "[ . 1]" 1
777 1 75 TYR HD1 1 81 VAL MG2 . . 5.210 4.348 4.031 4.633 . 0 0 "[ . 1]" 1
778 1 75 TYR HE1 1 81 VAL QG . . 5.010 4.776 3.699 5.011 0.001 3 0 "[ . 1]" 1
779 1 76 GLY H 1 81 VAL QG . . 5.440 5.004 4.078 5.258 . 0 0 "[ . 1]" 1
780 1 76 GLY QA 1 77 LYS QG . . 5.070 4.416 4.348 4.582 . 0 0 "[ . 1]" 1
781 1 77 LYS H 1 77 LYS HB2 . . 3.680 3.617 3.590 3.635 . 0 0 "[ . 1]" 1
782 1 77 LYS H 1 77 LYS HB3 . . 3.680 2.571 2.473 2.722 . 0 0 "[ . 1]" 1
783 1 77 LYS H 1 77 LYS QD . . 4.420 3.697 3.232 3.917 . 0 0 "[ . 1]" 1
784 1 77 LYS H 1 77 LYS HG2 . . 4.480 2.457 2.134 3.557 . 0 0 "[ . 1]" 1
785 1 77 LYS H 1 77 LYS QG . . 3.880 2.134 2.006 2.288 . 0 0 "[ . 1]" 1
786 1 77 LYS H 1 77 LYS HG3 . . 4.480 3.146 2.018 3.661 . 0 0 "[ . 1]" 1
787 1 77 LYS HA 1 77 LYS QD . . 4.530 4.330 4.145 4.380 . 0 0 "[ . 1]" 1
788 1 77 LYS HA 1 77 LYS QG . . 3.520 3.429 3.397 3.524 0.004 7 0 "[ . 1]" 1
789 1 77 LYS QB 1 77 LYS QD . . 3.190 2.372 2.202 3.014 . 0 0 "[ . 1]" 1
790 1 77 LYS QB 1 78 THR H . . 3.970 3.613 3.551 3.743 . 0 0 "[ . 1]" 1
791 1 77 LYS QB 1 78 THR HG1 . . 4.620 4.409 4.187 4.621 0.001 6 0 "[ . 1]" 1
792 1 77 LYS QD 1 77 LYS QE . . 2.370 2.116 2.046 2.153 . 0 0 "[ . 1]" 1
793 1 77 LYS QD 1 77 LYS QG . . 2.350 2.103 1.996 2.130 . 0 0 "[ . 1]" 1
794 1 77 LYS QE 1 77 LYS QG . . 3.290 2.295 2.121 2.963 . 0 0 "[ . 1]" 1
795 1 77 LYS QE 1 78 THR HB . . 4.870 4.857 4.718 4.873 0.003 2 0 "[ . 1]" 1
796 1 77 LYS QE 1 78 THR HG1 . . 4.250 3.001 2.843 3.237 . 0 0 "[ . 1]" 1
797 1 77 LYS QG 1 78 THR HG1 . . 4.000 2.610 2.172 3.926 . 0 0 "[ . 1]" 1
798 1 78 THR HA 1 78 THR HG1 . . 2.920 2.912 2.844 2.921 0.001 2 0 "[ . 1]" 1
799 1 80 GLU H 1 80 GLU QG . . 4.610 3.913 3.298 4.118 . 0 0 "[ . 1]" 1
800 1 80 GLU HA 1 80 GLU HG2 . . 4.080 3.606 3.302 3.895 . 0 0 "[ . 1]" 1
801 1 80 GLU HA 1 80 GLU QG . . 3.550 2.671 2.388 2.978 . 0 0 "[ . 1]" 1
802 1 80 GLU HA 1 80 GLU HG3 . . 4.080 2.758 2.420 3.091 . 0 0 "[ . 1]" 1
803 1 80 GLU HA 1 93 SER H . . 4.440 3.678 3.515 3.975 . 0 0 "[ . 1]" 1
804 1 80 GLU HA 1 93 SER QB . . 3.820 2.407 2.241 2.706 . 0 0 "[ . 1]" 1
805 1 80 GLU HA 1 96 VAL MG1 . . 3.750 3.563 2.903 3.752 0.002 10 0 "[ . 1]" 1
806 1 80 GLU HB3 1 81 VAL HB . . 4.330 4.031 3.149 4.333 0.003 2 0 "[ . 1]" 1
807 1 80 GLU HB3 1 81 VAL MG1 . . 5.330 5.081 3.063 5.335 0.005 3 0 "[ . 1]" 1
808 1 80 GLU HB3 1 81 VAL QG . . 3.800 3.071 2.296 3.260 . 0 0 "[ . 1]" 1
809 1 80 GLU HB3 1 81 VAL MG2 . . 5.330 3.268 2.299 4.798 . 0 0 "[ . 1]" 1
810 1 80 GLU HB3 1 96 VAL MG1 . . 4.990 4.396 2.689 4.990 . 3 0 "[ . 1]" 1
811 1 80 GLU QG 1 81 VAL QG . . 4.060 2.812 2.323 4.068 0.008 4 0 "[ . 1]" 1
812 1 80 GLU QG 1 96 VAL MG1 . . 3.370 2.869 2.533 3.373 0.003 2 0 "[ . 1]" 1
813 1 80 GLU HG2 1 96 VAL HA . . 5.500 5.339 4.979 5.502 0.002 1 0 "[ . 1]" 1
814 1 80 GLU HG2 1 96 VAL MG1 . . 4.100 3.714 3.051 4.104 0.004 4 0 "[ . 1]" 1
815 1 80 GLU HG2 1 96 VAL MG2 . . 4.290 3.769 3.272 4.291 0.001 5 0 "[ . 1]" 1
816 1 80 GLU HG3 1 96 VAL HA . . 5.500 4.818 4.647 5.068 . 0 0 "[ . 1]" 1
817 1 80 GLU HG3 1 96 VAL MG1 . . 4.100 3.081 2.563 3.588 . 0 0 "[ . 1]" 1
818 1 80 GLU HG3 1 96 VAL MG2 . . 4.290 3.748 3.098 4.284 . 0 0 "[ . 1]" 1
819 1 81 VAL H 1 81 VAL HB . . 4.170 2.775 2.682 3.342 . 0 0 "[ . 1]" 1
820 1 81 VAL H 1 81 VAL MG1 . . 4.300 3.739 2.552 3.889 . 0 0 "[ . 1]" 1
821 1 81 VAL H 1 81 VAL QG . . 3.550 2.879 2.522 2.946 . 0 0 "[ . 1]" 1
822 1 81 VAL H 1 81 VAL MG2 . . 4.300 3.112 2.959 3.948 . 0 0 "[ . 1]" 1
823 1 81 VAL HA 1 81 VAL MG1 . . 3.390 2.479 2.335 3.237 . 0 0 "[ . 1]" 1
824 1 81 VAL HA 1 81 VAL QG . . 2.910 2.143 2.098 2.357 . 0 0 "[ . 1]" 1
825 1 81 VAL HA 1 81 VAL MG2 . . 3.390 2.370 2.344 2.421 . 0 0 "[ . 1]" 1
826 1 81 VAL HA 1 82 LYS H . . 3.290 2.240 2.187 2.310 . 0 0 "[ . 1]" 1
827 1 81 VAL HA 1 92 PHE HA . . 3.820 2.389 2.189 2.491 . 0 0 "[ . 1]" 1
828 1 81 VAL HA 1 93 SER H . . 4.360 3.429 3.157 3.595 . 0 0 "[ . 1]" 1
829 1 81 VAL QG 1 82 LYS H . . 3.220 2.706 2.519 2.796 . 0 0 "[ . 1]" 1
830 1 81 VAL QG 1 82 LYS QB . . 4.860 4.338 4.172 4.492 . 0 0 "[ . 1]" 1
831 1 81 VAL QG 1 82 LYS QG . . 5.280 4.735 4.427 5.285 0.005 3 0 "[ . 1]" 1
832 1 81 VAL QG 1 90 TYR HA . . 4.770 4.123 3.922 4.530 . 0 0 "[ . 1]" 1
833 1 81 VAL QG 1 90 TYR QB . . 2.920 2.075 1.932 2.550 . 0 0 "[ . 1]" 1
834 1 81 VAL QG 1 90 TYR HD1 . . 4.300 4.268 3.989 4.306 0.006 8 0 "[ . 1]" 1
835 1 81 VAL QG 1 90 TYR HE1 . . 5.130 5.136 5.133 5.145 0.015 4 0 "[ . 1]" 1
836 1 81 VAL QG 1 91 GLN H . . 3.680 3.619 3.320 3.681 0.001 10 0 "[ . 1]" 1
837 1 81 VAL QG 1 92 PHE HA . . 3.530 2.729 2.483 2.924 . 0 0 "[ . 1]" 1
838 1 81 VAL QG 1 92 PHE HD1 . . 4.440 3.218 2.934 4.057 . 0 0 "[ . 1]" 1
839 1 81 VAL QG 1 92 PHE HE1 . . 4.030 3.220 2.838 3.985 . 0 0 "[ . 1]" 1
840 1 81 VAL QG 1 92 PHE HZ . . 3.620 3.169 2.991 3.474 . 0 0 "[ . 1]" 1
841 1 81 VAL QG 1 93 SER H . . 4.160 3.704 3.480 4.160 0.000 4 0 "[ . 1]" 1
842 1 81 VAL MG1 1 82 LYS H . . 4.170 2.899 2.689 4.073 . 0 0 "[ . 1]" 1
843 1 81 VAL MG1 1 92 PHE HA . . 4.200 3.515 3.256 4.216 0.016 4 0 "[ . 1]" 1
844 1 81 VAL MG1 1 92 PHE HD1 . . 5.500 4.835 4.685 5.034 . 0 0 "[ . 1]" 1
845 1 81 VAL MG1 1 92 PHE HZ . . 4.340 3.701 3.399 4.341 0.001 4 0 "[ . 1]" 1
846 1 81 VAL MG1 1 93 SER H . . 5.500 5.027 4.863 5.135 . 0 0 "[ . 1]" 1
847 1 81 VAL MG2 1 82 LYS H . . 4.170 3.956 2.543 4.168 . 0 0 "[ . 1]" 1
848 1 81 VAL MG2 1 92 PHE HA . . 4.200 2.863 2.539 3.109 . 0 0 "[ . 1]" 1
849 1 81 VAL MG2 1 92 PHE HD1 . . 5.500 3.286 2.965 4.380 . 0 0 "[ . 1]" 1
850 1 81 VAL MG2 1 92 PHE HZ . . 4.340 3.454 3.251 3.655 . 0 0 "[ . 1]" 1
851 1 81 VAL MG2 1 93 SER H . . 5.500 3.822 3.565 4.448 . 0 0 "[ . 1]" 1
852 1 82 LYS H 1 82 LYS QB . . 3.650 2.584 2.365 3.165 . 0 0 "[ . 1]" 1
853 1 82 LYS H 1 82 LYS QG . . 4.480 3.339 2.653 4.126 . 0 0 "[ . 1]" 1
854 1 82 LYS H 1 92 PHE HA . . 4.590 3.523 3.447 3.650 . 0 0 "[ . 1]" 1
855 1 82 LYS QB 1 83 LYS H . . 3.760 3.107 2.397 3.762 0.002 6 0 "[ . 1]" 1
856 1 82 LYS HB2 1 83 LYS H . . 4.440 3.958 2.426 4.232 . 0 0 "[ . 1]" 1
857 1 82 LYS HB3 1 83 LYS H . . 4.440 3.418 2.827 4.225 . 0 0 "[ . 1]" 1
858 1 82 LYS QE 1 83 LYS QD . . 4.770 4.331 2.933 4.774 0.004 2 0 "[ . 1]" 1
859 1 82 LYS QE 1 83 LYS QG . . 4.900 4.308 2.916 4.907 0.007 9 0 "[ . 1]" 1
860 1 83 LYS H 1 83 LYS QG . . 4.490 2.860 2.029 3.893 . 0 0 "[ . 1]" 1
861 1 83 LYS HA 1 83 LYS QD . . 4.050 3.856 3.520 4.058 0.008 4 0 "[ . 1]" 1
862 1 83 LYS HA 1 83 LYS QG . . 3.710 3.245 2.526 3.576 . 0 0 "[ . 1]" 1
863 1 83 LYS HA 1 84 VAL H . . 3.240 2.341 2.267 2.423 . 0 0 "[ . 1]" 1
864 1 83 LYS HA 1 84 VAL QG . . 3.660 3.405 3.228 3.647 . 0 0 "[ . 1]" 1
865 1 83 LYS HA 1 90 TYR HA . . 3.730 3.057 2.861 3.738 0.008 5 0 "[ . 1]" 1
866 1 83 LYS HA 1 90 TYR HD1 . . 4.730 4.732 4.728 4.735 0.005 5 0 "[ . 1]" 1
867 1 83 LYS HA 1 90 TYR HE1 . . 4.840 4.847 4.844 4.855 0.015 5 0 "[ . 1]" 1
868 1 83 LYS QB 1 83 LYS QD . . 3.290 2.277 1.997 2.629 . 0 0 "[ . 1]" 1
869 1 83 LYS QB 1 84 VAL QG . . 5.130 4.315 3.842 4.623 . 0 0 "[ . 1]" 1
870 1 83 LYS QD 1 84 VAL H . . 4.400 3.864 2.728 4.408 0.008 7 0 "[ . 1]" 1
871 1 83 LYS QD 1 84 VAL QG . . 5.060 4.580 4.163 5.071 0.011 2 0 "[ . 1]" 1
872 1 83 LYS QG 1 84 VAL H . . 4.690 3.553 2.368 4.364 . 0 0 "[ . 1]" 1
873 1 84 VAL H 1 84 VAL HB . . 4.160 2.861 2.538 3.819 . 0 0 "[ . 1]" 1
874 1 84 VAL H 1 84 VAL MG1 . . 4.460 3.731 2.973 3.965 . 0 0 "[ . 1]" 1
875 1 84 VAL H 1 84 VAL QG . . 3.090 2.627 2.091 2.922 . 0 0 "[ . 1]" 1
876 1 84 VAL H 1 84 VAL MG2 . . 4.460 2.685 2.136 3.009 . 0 0 "[ . 1]" 1
877 1 84 VAL H 1 90 TYR HA . . 3.760 3.550 3.042 3.761 0.001 7 0 "[ . 1]" 1
878 1 84 VAL HA 1 84 VAL MG1 . . 3.340 2.453 2.318 2.564 . 0 0 "[ . 1]" 1
879 1 84 VAL HA 1 84 VAL MG2 . . 3.340 2.529 2.304 3.208 . 0 0 "[ . 1]" 1
880 1 84 VAL HA 1 85 LYS H . . 3.410 2.491 2.346 2.739 . 0 0 "[ . 1]" 1
881 1 84 VAL HA 1 85 LYS HA . . 4.420 4.372 4.342 4.422 0.002 5 0 "[ . 1]" 1
882 1 84 VAL HB 1 85 LYS H . . 3.730 3.358 2.185 3.729 . 0 0 "[ . 1]" 1
883 1 84 VAL HB 1 89 THR HB . . 4.310 2.866 2.225 4.313 0.003 4 0 "[ . 1]" 1
884 1 84 VAL HB 1 89 THR MG . . 3.740 3.129 2.695 3.748 0.008 4 0 "[ . 1]" 1
885 1 84 VAL QG 1 85 LYS H . . 3.270 2.218 1.936 3.059 . 0 0 "[ . 1]" 1
886 1 84 VAL QG 1 85 LYS QG . . 3.640 3.191 2.315 3.655 0.015 5 0 "[ . 1]" 1
887 1 84 VAL QG 1 86 LYS H . . 3.740 1.904 1.784 2.046 . 0 0 "[ . 1]" 1
888 1 84 VAL QG 1 86 LYS QB . . 4.510 2.968 2.604 3.250 . 0 0 "[ . 1]" 1
889 1 84 VAL QG 1 89 THR HB . . 3.530 2.735 1.901 3.532 0.002 5 0 "[ . 1]" 1
890 1 84 VAL QG 1 89 THR MG . . 2.710 2.106 1.853 2.716 0.006 5 0 "[ . 1]" 1
891 1 84 VAL QG 1 90 TYR H . . 4.170 3.895 3.690 4.022 . 0 0 "[ . 1]" 1
892 1 84 VAL QG 1 90 TYR HA . . 3.470 2.369 1.997 2.776 . 0 0 "[ . 1]" 1
893 1 84 VAL QG 1 91 GLN H . . 3.900 2.844 2.539 3.181 . 0 0 "[ . 1]" 1
894 1 84 VAL QG 1 91 GLN QB . . 3.250 3.194 2.735 3.256 0.006 8 0 "[ . 1]" 1
895 1 84 VAL QG 1 91 GLN QE . . 5.270 4.317 2.995 5.251 . 0 0 "[ . 1]" 1
896 1 84 VAL MG1 1 85 LYS H . . 3.850 2.359 1.943 3.708 . 0 0 "[ . 1]" 1
897 1 84 VAL MG1 1 86 LYS H . . 4.340 2.392 1.786 4.347 0.007 2 0 "[ . 1]" 1
898 1 84 VAL MG1 1 89 THR HB . . 4.410 3.324 2.994 4.132 . 0 0 "[ . 1]" 1
899 1 84 VAL MG1 1 89 THR MG . . 3.340 2.751 2.470 3.271 . 0 0 "[ . 1]" 1
900 1 84 VAL MG2 1 85 LYS H . . 3.850 3.702 3.129 3.854 0.004 7 0 "[ . 1]" 1
901 1 84 VAL MG2 1 86 LYS H . . 4.340 3.847 1.800 4.347 0.007 8 0 "[ . 1]" 1
902 1 84 VAL MG2 1 89 THR HB . . 4.410 3.192 1.906 4.168 . 0 0 "[ . 1]" 1
903 1 84 VAL MG2 1 89 THR MG . . 3.340 2.191 1.915 2.901 . 0 0 "[ . 1]" 1
904 1 85 LYS H 1 85 LYS HB2 . . 3.930 2.993 2.291 3.611 . 0 0 "[ . 1]" 1
905 1 85 LYS H 1 85 LYS QB . . 3.330 2.356 1.970 2.517 . 0 0 "[ . 1]" 1
906 1 85 LYS H 1 85 LYS HB3 . . 3.930 2.768 2.143 3.592 . 0 0 "[ . 1]" 1
907 1 85 LYS H 1 85 LYS QG . . 4.240 2.521 2.158 3.747 . 0 0 "[ . 1]" 1
908 1 85 LYS HA 1 85 LYS QG . . 3.660 3.012 2.420 3.422 . 0 0 "[ . 1]" 1
909 1 85 LYS QB 1 86 LYS H . . 3.860 3.336 2.619 3.824 . 0 0 "[ . 1]" 1
910 1 85 LYS QB 1 86 LYS HA . . 4.560 4.453 4.183 4.564 0.004 1 0 "[ . 1]" 1
911 1 85 LYS QG 1 86 LYS H . . 4.580 3.342 2.672 4.450 . 0 0 "[ . 1]" 1
912 1 86 LYS H 1 86 LYS QB . . 3.600 2.424 2.237 2.521 . 0 0 "[ . 1]" 1
913 1 86 LYS H 1 86 LYS QG . . 4.940 3.406 2.726 4.082 . 0 0 "[ . 1]" 1
914 1 86 LYS HA 1 86 LYS QD . . 3.560 2.564 2.213 3.331 . 0 0 "[ . 1]" 1
915 1 86 LYS HA 1 86 LYS QG . . 3.450 2.883 2.490 3.076 . 0 0 "[ . 1]" 1
916 1 86 LYS HA 1 87 LYS H . . 3.270 2.225 2.200 2.261 . 0 0 "[ . 1]" 1
917 1 86 LYS QB 1 87 LYS H . . 4.210 3.389 3.120 3.905 . 0 0 "[ . 1]" 1
918 1 86 LYS QB 1 89 THR HB . . 3.660 2.333 2.156 2.553 . 0 0 "[ . 1]" 1
919 1 86 LYS QB 1 89 THR HG1 . . 4.790 2.623 2.293 3.416 . 0 0 "[ . 1]" 1
920 1 86 LYS QB 1 89 THR MG . . 3.810 3.500 3.314 3.771 . 0 0 "[ . 1]" 1
921 1 86 LYS QG 1 87 LYS H . . 5.140 4.118 3.022 4.774 . 0 0 "[ . 1]" 1
922 1 86 LYS QG 1 89 THR HB . . 4.390 3.928 2.687 4.390 0.000 9 0 "[ . 1]" 1
923 1 86 LYS QG 1 89 THR HG1 . . 4.830 3.344 2.394 4.102 . 0 0 "[ . 1]" 1
924 1 86 LYS QG 1 89 THR MG . . 4.600 4.366 3.638 4.602 0.002 6 0 "[ . 1]" 1
925 1 87 LYS H 1 87 LYS HG2 . . 5.210 3.590 2.152 4.492 . 0 0 "[ . 1]" 1
926 1 87 LYS H 1 87 LYS HG3 . . 5.210 2.981 2.164 4.392 . 0 0 "[ . 1]" 1
927 1 87 LYS HA 1 88 LEU HA . . 4.810 4.676 4.612 4.750 . 0 0 "[ . 1]" 1
928 1 87 LYS HA 1 88 LEU QD . . 4.660 4.465 4.249 4.663 0.003 10 0 "[ . 1]" 1
929 1 87 LYS HA 1 89 THR H . . 4.900 3.840 3.747 4.166 . 0 0 "[ . 1]" 1
930 1 87 LYS QB 1 88 LEU HA . . 5.340 4.107 3.970 4.358 . 0 0 "[ . 1]" 1
931 1 87 LYS QD 1 87 LYS QG . . 2.370 2.089 2.031 2.143 . 0 0 "[ . 1]" 1
932 1 88 LEU H 1 88 LEU QD . . 3.700 2.837 2.304 3.390 . 0 0 "[ . 1]" 1
933 1 88 LEU H 1 88 LEU HG . . 4.570 3.304 2.472 4.165 . 0 0 "[ . 1]" 1
934 1 88 LEU HA 1 88 LEU MD1 . . 3.900 3.200 2.390 3.902 0.002 5 0 "[ . 1]" 1
935 1 88 LEU HA 1 88 LEU QD . . 2.880 2.292 2.122 2.530 . 0 0 "[ . 1]" 1
936 1 88 LEU HA 1 88 LEU MD2 . . 3.900 2.882 2.132 3.900 . 0 0 "[ . 1]" 1
937 1 88 LEU HA 1 88 LEU HG . . 4.030 3.018 2.424 3.914 . 0 0 "[ . 1]" 1
938 1 88 LEU HA 1 90 TYR HE1 . . 4.000 3.948 3.767 4.005 0.005 4 0 "[ . 1]" 1
939 1 88 LEU QB 1 88 LEU QD . . 2.670 2.004 1.964 2.133 . 0 0 "[ . 1]" 1
940 1 88 LEU QB 1 89 THR HA . . 5.340 4.251 4.176 4.319 . 0 0 "[ . 1]" 1
941 1 88 LEU HB2 1 88 LEU MD1 . . 3.490 2.542 2.333 3.277 . 0 0 "[ . 1]" 1
942 1 88 LEU HB2 1 88 LEU MD2 . . 3.490 2.869 2.334 3.303 . 0 0 "[ . 1]" 1
943 1 88 LEU HB3 1 88 LEU MD1 . . 3.490 2.741 2.353 3.308 . 0 0 "[ . 1]" 1
944 1 88 LEU HB3 1 88 LEU MD2 . . 3.490 2.505 2.266 3.293 . 0 0 "[ . 1]" 1
945 1 88 LEU QD 1 89 THR H . . 4.650 4.388 4.213 4.515 . 0 0 "[ . 1]" 1
946 1 88 LEU QD 1 90 TYR HE1 . . 5.070 4.810 4.496 5.072 0.002 8 0 "[ . 1]" 1
947 1 89 THR H 1 89 THR HB . . 3.810 2.591 2.525 2.618 . 0 0 "[ . 1]" 1
948 1 89 THR H 1 89 THR MG . . 4.230 3.885 3.861 3.897 . 0 0 "[ . 1]" 1
949 1 89 THR HA 1 89 THR MG . . 3.250 2.424 2.371 2.560 . 0 0 "[ . 1]" 1
950 1 89 THR HA 1 90 TYR H . . 3.270 2.194 2.109 2.237 . 0 0 "[ . 1]" 1
951 1 89 THR HA 1 90 TYR HD1 . . 4.380 4.007 3.854 4.391 0.011 5 0 "[ . 1]" 1
952 1 89 THR MG 1 90 TYR H . . 3.270 2.717 2.659 2.777 . 0 0 "[ . 1]" 1
953 1 89 THR MG 1 91 GLN QG . . 5.270 4.086 3.634 5.273 0.003 4 0 "[ . 1]" 1
954 1 90 TYR H 1 90 TYR HD1 . . 4.240 3.283 3.149 3.687 . 0 0 "[ . 1]" 1
955 1 90 TYR HA 1 90 TYR HD1 . . 4.110 3.719 3.567 4.123 0.013 5 0 "[ . 1]" 1
956 1 90 TYR HA 1 91 GLN H . . 3.550 2.268 2.165 2.365 . 0 0 "[ . 1]" 1
957 1 90 TYR QB 1 92 PHE HZ . . 5.340 4.587 4.302 5.220 . 0 0 "[ . 1]" 1
958 1 90 TYR HB2 1 90 TYR HD1 . . 3.740 2.516 2.052 2.603 . 0 0 "[ . 1]" 1
959 1 90 TYR HB2 1 91 GLN H . . 4.300 3.946 3.749 4.010 . 0 0 "[ . 1]" 1
960 1 90 TYR HB3 1 90 TYR HD1 . . 3.740 3.682 3.160 3.744 0.004 2 0 "[ . 1]" 1
961 1 90 TYR HB3 1 91 GLN H . . 4.300 2.638 2.510 2.697 . 0 0 "[ . 1]" 1
962 1 91 GLN HA 1 91 GLN QG . . 3.720 2.686 2.362 3.568 . 0 0 "[ . 1]" 1
963 1 91 GLN HA 1 92 PHE H . . 3.380 2.225 2.176 2.291 . 0 0 "[ . 1]" 1
964 1 92 PHE H 1 92 PHE HD1 . . 5.230 5.232 5.222 5.235 0.005 7 0 "[ . 1]" 1
965 1 92 PHE HA 1 92 PHE HD1 . . 3.920 3.888 3.749 3.923 0.003 3 0 "[ . 1]" 1
966 1 92 PHE HA 1 93 SER H . . 3.370 2.247 2.197 2.370 . 0 0 "[ . 1]" 1
967 1 92 PHE HA 1 96 VAL MG1 . . 4.450 3.155 3.039 3.421 . 0 0 "[ . 1]" 1
968 1 92 PHE HB2 1 92 PHE HD1 . . 3.650 3.261 3.172 3.402 . 0 0 "[ . 1]" 1
969 1 92 PHE HB2 1 93 SER H . . 4.340 4.117 3.979 4.164 . 0 0 "[ . 1]" 1
970 1 92 PHE HB2 1 96 VAL MG1 . . 4.140 3.449 3.414 3.473 . 0 0 "[ . 1]" 1
971 1 92 PHE HB2 1 96 VAL MG2 . . 4.770 4.567 4.451 4.697 . 0 0 "[ . 1]" 1
972 1 92 PHE HB2 1 97 LEU MD1 . . 4.720 3.235 2.152 4.408 . 0 0 "[ . 1]" 1
973 1 92 PHE HB2 1 97 LEU QD . . 3.490 2.432 2.060 3.225 . 0 0 "[ . 1]" 1
974 1 92 PHE HB2 1 97 LEU MD2 . . 4.720 2.847 2.065 3.636 . 0 0 "[ . 1]" 1
975 1 92 PHE HB3 1 93 SER H . . 4.440 2.909 2.738 2.987 . 0 0 "[ . 1]" 1
976 1 92 PHE HB3 1 96 VAL HB . . 4.750 4.740 4.678 4.755 0.005 2 0 "[ . 1]" 1
977 1 92 PHE HB3 1 96 VAL MG1 . . 3.850 1.993 1.936 2.075 . 0 0 "[ . 1]" 1
978 1 92 PHE HB3 1 96 VAL MG2 . . 3.920 3.323 3.204 3.450 . 0 0 "[ . 1]" 1
979 1 92 PHE HB3 1 97 LEU QB . . 4.870 3.864 2.209 4.873 0.003 3 0 "[ . 1]" 1
980 1 92 PHE HB3 1 97 LEU MD1 . . 4.870 3.671 2.166 4.873 0.003 2 0 "[ . 1]" 1
981 1 92 PHE HB3 1 97 LEU QD . . 3.740 2.751 2.158 3.505 . 0 0 "[ . 1]" 1
982 1 92 PHE HB3 1 97 LEU MD2 . . 4.870 3.335 2.192 4.193 . 0 0 "[ . 1]" 1
983 1 92 PHE HD1 1 96 VAL MG1 . . 3.700 2.391 2.261 2.576 . 0 0 "[ . 1]" 1
984 1 92 PHE HD1 1 96 VAL MG2 . . 3.540 2.167 2.044 2.305 . 0 0 "[ . 1]" 1
985 1 92 PHE HD1 1 97 LEU QD . . 3.760 3.265 2.771 3.760 . 0 0 "[ . 1]" 1
986 1 92 PHE HE1 1 96 VAL MG1 . . 5.170 4.209 4.046 4.373 . 0 0 "[ . 1]" 1
987 1 92 PHE HE1 1 96 VAL MG2 . . 4.090 3.040 2.768 3.329 . 0 0 "[ . 1]" 1
988 1 92 PHE HE1 1 97 LEU QD . . 5.420 4.791 4.322 5.264 . 0 0 "[ . 1]" 1
989 1 93 SER H 1 93 SER QB . . 3.380 2.273 2.241 2.317 . 0 0 "[ . 1]" 1
990 1 93 SER H 1 96 VAL MG1 . . 3.640 2.205 2.166 2.243 . 0 0 "[ . 1]" 1
991 1 93 SER H 1 96 VAL MG2 . . 4.440 4.445 4.444 4.446 0.006 4 0 "[ . 1]" 1
992 1 93 SER HA 1 94 GLY H . . 3.130 2.491 2.431 2.539 . 0 0 "[ . 1]" 1
993 1 93 SER HA 1 94 GLY HA2 . . 4.600 4.289 4.221 4.333 . 0 0 "[ . 1]" 1
994 1 93 SER HA 1 94 GLY QA . . 3.990 3.925 3.873 3.950 . 0 0 "[ . 1]" 1
995 1 93 SER HA 1 94 GLY HA3 . . 4.600 4.550 4.505 4.581 . 0 0 "[ . 1]" 1
996 1 93 SER HA 1 95 GLU H . . 4.660 4.637 4.517 4.662 0.002 10 0 "[ . 1]" 1
997 1 93 SER QB 1 94 GLY H . . 3.610 3.119 2.408 3.282 . 0 0 "[ . 1]" 1
998 1 93 SER QB 1 95 GLU H . . 3.840 3.331 3.005 3.489 . 0 0 "[ . 1]" 1
999 1 93 SER QB 1 96 VAL HB . . 4.240 4.221 4.103 4.242 0.002 7 0 "[ . 1]" 1
1000 1 93 SER QB 1 96 VAL MG1 . . 4.110 2.450 2.348 2.554 . 0 0 "[ . 1]" 1
1001 1 94 GLY QA 1 97 LEU H . . 4.440 3.527 3.331 3.756 . 0 0 "[ . 1]" 1
1002 1 94 GLY QA 1 97 LEU QB . . 3.870 2.918 2.565 3.215 . 0 0 "[ . 1]" 1
1003 1 94 GLY QA 1 97 LEU QD . . 4.030 3.614 2.842 4.030 . 2 0 "[ . 1]" 1
1004 1 95 GLU H 1 95 GLU HB2 . . 3.700 2.444 2.396 2.495 . 0 0 "[ . 1]" 1
1005 1 95 GLU H 1 95 GLU QB . . 3.220 2.279 2.157 2.420 . 0 0 "[ . 1]" 1
1006 1 95 GLU H 1 95 GLU HB3 . . 3.700 2.934 2.448 3.612 . 0 0 "[ . 1]" 1
1007 1 95 GLU H 1 95 GLU QG . . 4.410 3.370 2.317 4.078 . 0 0 "[ . 1]" 1
1008 1 95 GLU HA 1 95 GLU QG . . 3.160 2.698 2.406 3.093 . 0 0 "[ . 1]" 1
1009 1 95 GLU QB 1 96 VAL H . . 4.110 2.610 2.500 2.777 . 0 0 "[ . 1]" 1
1010 1 95 GLU QB 1 96 VAL HA . . 5.340 4.210 3.886 4.447 . 0 0 "[ . 1]" 1
1011 1 95 GLU QB 1 96 VAL HB . . 4.520 4.162 3.934 4.401 . 0 0 "[ . 1]" 1
1012 1 95 GLU QG 1 96 VAL H . . 4.390 3.931 3.628 4.377 . 0 0 "[ . 1]" 1
1013 1 96 VAL H 1 96 VAL HB . . 3.620 2.628 2.540 2.720 . 0 0 "[ . 1]" 1
1014 1 96 VAL H 1 96 VAL MG1 . . 3.170 1.941 1.849 2.020 . 0 0 "[ . 1]" 1
1015 1 96 VAL H 1 96 VAL MG2 . . 3.880 3.765 3.736 3.802 . 0 0 "[ . 1]" 1
1016 1 96 VAL HA 1 96 VAL MG1 . . 3.280 3.269 3.254 3.278 . 0 0 "[ . 1]" 1
1017 1 96 VAL HA 1 96 VAL MG2 . . 3.220 2.436 2.396 2.505 . 0 0 "[ . 1]" 1
1018 1 96 VAL HB 1 97 LEU H . . 4.120 4.125 4.121 4.129 0.009 4 0 "[ . 1]" 1
1019 1 96 VAL MG1 1 97 LEU H . . 3.870 2.264 2.214 2.375 . 0 0 "[ . 1]" 1
1020 1 96 VAL MG1 1 97 LEU HA . . 4.390 3.677 3.276 3.988 . 0 0 "[ . 1]" 1
1021 1 96 VAL MG1 1 97 LEU QD . . 3.690 2.872 2.021 3.692 0.002 2 0 "[ . 1]" 1
1022 1 96 VAL MG2 1 97 LEU H . . 4.050 3.533 3.422 3.659 . 0 0 "[ . 1]" 1
1023 1 96 VAL MG2 1 97 LEU HA . . 4.270 3.470 3.010 3.781 . 0 0 "[ . 1]" 1
1024 1 96 VAL MG2 1 97 LEU QD . . 3.710 3.252 2.459 3.716 0.006 5 0 "[ . 1]" 1
1025 1 97 LEU H 1 97 LEU HB2 . . 4.040 2.435 2.332 2.547 . 0 0 "[ . 1]" 1
1026 1 97 LEU H 1 97 LEU QB . . 3.440 2.288 2.183 2.421 . 0 0 "[ . 1]" 1
1027 1 97 LEU H 1 97 LEU HB3 . . 4.040 3.150 2.375 3.657 . 0 0 "[ . 1]" 1
1028 1 97 LEU H 1 97 LEU QD . . 3.870 3.122 2.459 3.718 . 0 0 "[ . 1]" 1
1029 1 97 LEU H 1 98 GLY H . . 2.550 2.548 2.492 2.557 0.007 4 0 "[ . 1]" 1
1030 1 97 LEU HA 1 97 LEU QD . . 2.940 2.179 2.035 2.563 . 0 0 "[ . 1]" 1
1031 1 97 LEU QB 1 97 LEU QD . . 2.780 2.025 1.948 2.108 . 0 0 "[ . 1]" 1
1032 1 98 GLY QA 1 99 ARG HA . . 4.630 4.051 3.969 4.157 . 0 0 "[ . 1]" 1
1033 1 98 GLY QA 1 99 ARG QB . . 4.760 4.215 3.755 4.665 . 0 0 "[ . 1]" 1
1034 1 98 GLY HA2 1 99 ARG HA . . 5.420 4.612 4.416 4.768 . 0 0 "[ . 1]" 1
1035 1 98 GLY HA3 1 99 ARG HA . . 5.420 4.494 4.350 4.725 . 0 0 "[ . 1]" 1
1036 1 99 ARG H 1 99 ARG QG . . 4.440 3.118 2.087 4.132 . 0 0 "[ . 1]" 1
1037 1 99 ARG QB 1 99 ARG QD . . 3.240 2.532 2.133 2.896 . 0 0 "[ . 1]" 1
1038 1 102 LEU H 1 102 LEU HB2 . . 3.950 3.329 2.358 3.953 0.003 9 0 "[ . 1]" 1
1039 1 102 LEU H 1 102 LEU HB3 . . 3.950 3.108 2.428 3.956 0.006 7 0 "[ . 1]" 1
1040 1 102 LEU HA 1 102 LEU MD1 . . 4.140 3.193 2.198 4.039 . 0 0 "[ . 1]" 1
1041 1 102 LEU HA 1 102 LEU QD . . 3.290 2.638 2.136 3.310 0.020 4 0 "[ . 1]" 1
1042 1 102 LEU HA 1 102 LEU MD2 . . 4.140 3.377 2.146 3.959 . 0 0 "[ . 1]" 1
1043 1 102 LEU HA 1 103 ALA H . . 3.360 2.536 2.243 3.370 0.010 3 0 "[ . 1]" 1
1044 1 102 LEU HG 1 103 ALA H . . 5.090 4.081 3.157 5.007 . 0 0 "[ . 1]" 1
1045 1 103 ALA H 1 103 ALA MB . . 3.240 2.407 2.202 2.776 . 0 0 "[ . 1]" 1
1046 1 103 ALA HA 1 104 GLU H . . 3.190 2.517 2.197 3.207 0.017 2 0 "[ . 1]" 1
1047 1 104 GLU H 1 104 GLU HB2 . . 4.150 3.487 2.358 4.151 0.001 2 0 "[ . 1]" 1
1048 1 104 GLU H 1 104 GLU QB . . 3.540 2.801 2.152 3.382 . 0 0 "[ . 1]" 1
1049 1 104 GLU H 1 104 GLU HB3 . . 4.150 2.974 2.439 3.583 . 0 0 "[ . 1]" 1
1050 1 104 GLU H 1 104 GLU QG . . 4.800 3.380 2.554 4.127 . 0 0 "[ . 1]" 1
1051 1 104 GLU HA 1 105 ARG HA . . 4.670 4.433 4.381 4.501 . 0 0 "[ . 1]" 1
1052 1 104 GLU HA 1 105 ARG QB . . 4.510 4.315 4.094 4.513 0.003 4 0 "[ . 1]" 1
1053 1 104 GLU QB 1 105 ARG H . . 4.280 3.290 2.584 4.090 . 0 0 "[ . 1]" 1
1054 1 104 GLU QB 1 105 ARG HA . . 4.660 4.535 4.206 4.666 0.006 3 0 "[ . 1]" 1
1055 1 104 GLU QG 1 105 ARG H . . 5.300 3.510 2.833 4.265 . 0 0 "[ . 1]" 1
1056 1 104 GLU QG 1 105 ARG HA . . 4.380 3.927 3.580 4.380 0.000 4 0 "[ . 1]" 1
1057 1 105 ARG HA 1 105 ARG QD . . 4.700 4.167 2.195 4.700 0.000 3 0 "[ . 1]" 1
1058 1 105 ARG HA 1 105 ARG QG . . 3.440 3.106 2.480 3.424 . 0 0 "[ . 1]" 1
1059 1 105 ARG HA 1 106 ARG H . . 3.050 2.451 2.238 3.056 0.006 2 0 "[ . 1]" 1
1060 1 105 ARG QB 1 105 ARG QD . . 3.310 2.303 2.171 2.515 . 0 0 "[ . 1]" 1
1061 1 106 ARG H 1 106 ARG QG . . 5.040 2.954 2.101 4.225 . 0 0 "[ . 1]" 1
1062 1 106 ARG HA 1 106 ARG QD . . 4.520 3.655 2.228 4.522 0.002 1 0 "[ . 1]" 1
1063 1 106 ARG HA 1 106 ARG QG . . 3.640 3.020 2.410 3.595 . 0 0 "[ . 1]" 1
1064 1 106 ARG HA 1 107 LEU H . . 3.530 2.538 2.202 3.532 0.002 10 0 "[ . 1]" 1
1065 1 106 ARG QB 1 106 ARG QD . . 3.310 2.484 2.154 2.976 . 0 0 "[ . 1]" 1
1066 1 106 ARG QB 1 107 LEU H . . 4.270 3.263 2.482 3.808 . 0 0 "[ . 1]" 1
1067 1 106 ARG QD 1 107 LEU H . . 4.710 4.054 2.278 4.712 0.002 4 0 "[ . 1]" 1
1068 1 106 ARG QG 1 107 LEU H . . 5.340 3.427 2.554 4.716 . 0 0 "[ . 1]" 1
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