NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
562136 |
2m3m   |
17942 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3m
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 1960
_Distance_constraint_stats_list.Viol_count 2235
_Distance_constraint_stats_list.Viol_total 3222.355
_Distance_constraint_stats_list.Viol_max 1.916
_Distance_constraint_stats_list.Viol_rms 0.0380
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0721
_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 0.299 0.095 18 0 "[ . 1 . 2]"
1 2 GLU 0.837 0.071 20 0 "[ . 1 . 2]"
1 3 ILE 4.781 0.140 5 0 "[ . 1 . 2]"
1 4 LYS 3.829 0.175 15 0 "[ . 1 . 2]"
1 5 LEU 1.652 0.159 14 0 "[ . 1 . 2]"
1 6 ILE 6.133 0.394 11 0 "[ . 1 . 2]"
1 7 LYS 6.764 0.252 3 0 "[ . 1 . 2]"
1 8 GLY 2.979 0.256 8 0 "[ . 1 . 2]"
1 9 PRO 0.279 0.040 20 0 "[ . 1 . 2]"
1 10 LYS 1.631 0.157 13 0 "[ . 1 . 2]"
1 11 GLY 3.034 0.157 13 0 "[ . 1 . 2]"
1 12 LEU 0.336 0.079 17 0 "[ . 1 . 2]"
1 13 GLY 2.351 0.212 15 0 "[ . 1 . 2]"
1 14 PHE 1.540 0.107 20 0 "[ . 1 . 2]"
1 15 SER 1.949 0.124 10 0 "[ . 1 . 2]"
1 16 ILE 4.562 1.450 15 1 "[ . 1 + 2]"
1 17 ALA 4.687 1.681 15 1 "[ . 1 + 2]"
1 18 GLY 1.254 0.583 15 1 "[ . 1 + 2]"
1 19 GLY 0.815 0.108 9 0 "[ . 1 . 2]"
1 20 VAL 0.779 0.144 13 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASN 1.496 0.163 15 0 "[ . 1 . 2]"
1 23 GLN 2.387 0.071 13 0 "[ . 1 . 2]"
1 24 HIS 6.480 1.668 13 2 "[ .* 1 + . 2]"
1 25 ILE 8.220 1.668 13 2 "[ .* 1 + . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 2.020 0.098 17 0 "[ . 1 . 2]"
1 29 ASN 2.674 0.144 13 0 "[ . 1 . 2]"
1 30 SER 2.105 0.114 19 0 "[ . 1 . 2]"
1 31 ILE 0.898 0.099 4 0 "[ . 1 . 2]"
1 32 TYR 1.191 0.097 17 0 "[ . 1 . 2]"
1 33 VAL 0.394 0.057 8 0 "[ . 1 . 2]"
1 34 THR 1.478 0.340 13 0 "[ . 1 . 2]"
1 35 LYS 3.815 0.131 9 0 "[ . 1 . 2]"
1 36 ILE 5.010 0.420 7 0 "[ . 1 . 2]"
1 37 ILE 1.312 0.212 15 0 "[ . 1 . 2]"
1 38 GLU 9.621 1.788 10 7 "[* .* *+ * * -]"
1 39 GLY 0.125 0.045 1 0 "[ . 1 . 2]"
1 40 GLY 0.053 0.029 9 0 "[ . 1 . 2]"
1 41 ALA 0.651 0.073 6 0 "[ . 1 . 2]"
1 42 ALA 2.420 0.166 4 0 "[ . 1 . 2]"
1 43 HIS 16.261 1.788 10 7 "[* .- *+ * * *]"
1 44 LYS 5.427 0.568 9 2 "[ .- +1 . 2]"
1 45 ASP 5.720 0.166 4 0 "[ . 1 . 2]"
1 46 GLY 3.299 0.136 3 0 "[ . 1 . 2]"
1 47 LYS 4.000 0.245 3 0 "[ . 1 . 2]"
1 48 LEU 0.828 0.134 5 0 "[ . 1 . 2]"
1 49 GLN 2.196 0.145 1 0 "[ . 1 . 2]"
1 50 ILE 3.707 0.123 10 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 1.926 0.115 1 0 "[ . 1 . 2]"
1 53 LYS 2.285 0.114 19 0 "[ . 1 . 2]"
1 54 LEU 4.972 0.160 16 0 "[ . 1 . 2]"
1 55 LEU 1.883 0.082 2 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 1.321 0.120 4 0 "[ . 1 . 2]"
1 58 ASN 7.750 0.336 12 0 "[ . 1 . 2]"
1 59 ASN 6.884 0.336 12 0 "[ . 1 . 2]"
1 60 VAL 0.909 0.058 1 0 "[ . 1 . 2]"
1 61 CYS 0.244 0.020 14 0 "[ . 1 . 2]"
1 62 LEU 3.200 0.120 4 0 "[ . 1 . 2]"
1 63 GLU 0.079 0.063 9 0 "[ . 1 . 2]"
1 64 GLU 2.981 0.195 6 0 "[ . 1 . 2]"
1 65 VAL 1.373 0.195 6 0 "[ . 1 . 2]"
1 66 THR 1.399 0.122 16 0 "[ . 1 . 2]"
1 67 HIS 27.543 1.916 10 11 "[ *.- * +*** *** *2]"
1 68 GLU 5.742 0.633 15 1 "[ . 1 + 2]"
1 69 GLU 1.341 0.094 8 0 "[ . 1 . 2]"
1 70 ALA 1.149 0.085 8 0 "[ . 1 . 2]"
1 71 VAL 9.659 0.694 15 1 "[ . 1 + 2]"
1 72 THR 1.640 0.089 14 0 "[ . 1 . 2]"
1 73 ALA 0.507 0.085 4 0 "[ . 1 . 2]"
1 74 LEU 1.998 0.324 17 0 "[ . 1 . 2]"
1 75 LYS 6.398 0.146 18 0 "[ . 1 . 2]"
1 76 ASN 2.460 0.094 18 0 "[ . 1 . 2]"
1 77 THR 2.439 0.146 4 0 "[ . 1 . 2]"
1 78 SER 5.188 0.256 8 0 "[ . 1 . 2]"
1 79 ASP 0.339 0.091 14 0 "[ . 1 . 2]"
1 80 PHE 3.574 0.394 11 0 "[ . 1 . 2]"
1 81 VAL 0.114 0.029 20 0 "[ . 1 . 2]"
1 82 TYR 2.609 0.167 12 0 "[ . 1 . 2]"
1 83 LEU 2.897 0.113 4 0 "[ . 1 . 2]"
1 84 LYS 1.195 0.196 3 0 "[ . 1 . 2]"
1 85 VAL 4.370 0.136 5 0 "[ . 1 . 2]"
1 86 ALA 0.190 0.031 20 0 "[ . 1 . 2]"
1 87 LYS 2.727 0.236 18 0 "[ . 1 . 2]"
1 88 PRO 2.006 0.236 18 0 "[ . 1 . 2]"
1 89 THR 2.770 0.162 14 0 "[ . 1 . 2]"
1 90 GLY 2.067 0.162 14 0 "[ . 1 . 2]"
1 91 SER 0.465 0.114 2 0 "[ . 1 . 2]"
1 92 HIS 0.376 0.114 2 0 "[ . 1 . 2]"
1 93 HIS 0.281 0.087 20 0 "[ . 1 . 2]"
1 94 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 PCA 1.677 0.225 5 0 "[ . 1 . 2]"
2 2 ARG 1.834 0.225 5 0 "[ . 1 . 2]"
2 3 THR 13.295 1.916 10 8 "[ *. - +* * .** *2]"
2 4 ARG 0.032 0.032 14 0 "[ . 1 . 2]"
2 5 GLN 2.378 0.306 14 0 "[ . 1 . 2]"
2 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 ASN 2.193 0.213 15 0 "[ . 1 . 2]"
2 8 GLU 0.761 0.083 15 0 "[ . 1 . 2]"
2 9 THR 2.472 0.572 12 2 "[ .- 1 + . 2]"
2 10 GLN 1.954 0.186 20 0 "[ . 1 . 2]"
2 11 VAL 2.340 0.181 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HB2 1 86 ALA MB . . 7.020 5.497 5.138 5.931 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HB3 1 86 ALA MB . . 7.020 5.022 4.384 7.044 0.024 5 0 "[ . 1 . 2]" 1
3 1 1 MET HG2 1 3 ILE MG . . 7.020 6.102 5.331 6.891 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HG2 1 3 ILE HG12 . . 5.700 4.613 3.678 5.448 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET HG2 1 3 ILE HG13 . . 5.700 3.864 2.961 5.219 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET HG2 1 3 ILE MD . . 6.320 3.733 2.898 4.904 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET HG3 1 3 ILE MG . . 7.020 6.170 5.139 7.115 0.095 18 0 "[ . 1 . 2]" 1
8 1 1 MET HG3 1 3 ILE HG12 . . 5.700 4.622 3.527 5.754 0.054 18 0 "[ . 1 . 2]" 1
9 1 1 MET HG3 1 3 ILE HG13 . . 5.700 3.960 2.670 5.692 . 0 0 "[ . 1 . 2]" 1
10 1 1 MET HG3 1 3 ILE MD . . 6.320 4.152 2.699 5.803 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLU HA 1 3 ILE MD . . 7.020 4.418 4.112 4.755 . 0 0 "[ . 1 . 2]" 1
12 1 2 GLU HA 1 84 LYS HA . . 3.500 2.418 2.047 2.808 . 0 0 "[ . 1 . 2]" 1
13 1 2 GLU HA 1 84 LYS QB . . 7.480 4.352 4.009 4.834 . 0 0 "[ . 1 . 2]" 1
14 1 2 GLU HA 1 84 LYS QD . . 7.480 5.610 3.506 6.088 . 0 0 "[ . 1 . 2]" 1
15 1 2 GLU HB2 1 84 LYS HA . . 5.000 3.694 2.975 4.221 . 0 0 "[ . 1 . 2]" 1
16 1 2 GLU HB3 1 84 LYS HA . . 5.000 2.403 2.055 3.046 . 0 0 "[ . 1 . 2]" 1
17 1 2 GLU HG2 1 84 LYS HA . . 5.700 5.094 4.747 5.584 . 0 0 "[ . 1 . 2]" 1
18 1 2 GLU HG2 1 84 LYS QE . . 8.180 6.093 5.441 6.455 . 0 0 "[ . 1 . 2]" 1
19 1 2 GLU HG3 1 84 LYS HA . . 5.700 4.913 4.556 5.464 . 0 0 "[ . 1 . 2]" 1
20 1 2 GLU HG3 1 84 LYS QE . . 8.180 5.179 4.385 6.076 . 0 0 "[ . 1 . 2]" 1
21 1 3 ILE HA 1 3 ILE HG12 . . 3.500 2.546 2.461 2.648 . 0 0 "[ . 1 . 2]" 1
22 1 3 ILE HA 1 3 ILE HG13 . . 3.500 2.993 2.916 3.072 . 0 0 "[ . 1 . 2]" 1
23 1 3 ILE HA 1 5 LEU HG . . 5.000 5.013 4.738 5.140 0.140 5 0 "[ . 1 . 2]" 1
24 1 3 ILE HA 1 47 LYS HD2 . . 5.000 4.208 2.814 5.107 0.107 3 0 "[ . 1 . 2]" 1
25 1 3 ILE HA 1 47 LYS HD3 . . 5.000 3.762 2.731 5.073 0.073 10 0 "[ . 1 . 2]" 1
26 1 3 ILE HA 1 47 LYS HE2 . . 5.700 4.770 2.572 5.758 0.058 17 0 "[ . 1 . 2]" 1
27 1 3 ILE HA 1 47 LYS HE3 . . 5.700 5.411 3.098 5.821 0.121 2 0 "[ . 1 . 2]" 1
28 1 3 ILE HA 1 82 TYR HA . . 5.700 5.702 5.527 5.806 0.106 10 0 "[ . 1 . 2]" 1
29 1 3 ILE HB 1 83 LEU HA . . 5.000 4.981 4.826 5.080 0.080 6 0 "[ . 1 . 2]" 1
30 1 3 ILE HB 1 83 LEU HB2 . . 5.000 3.920 3.508 4.247 . 0 0 "[ . 1 . 2]" 1
31 1 3 ILE HB 1 83 LEU HB3 . . 5.000 2.270 1.951 2.521 . 0 0 "[ . 1 . 2]" 1
32 1 3 ILE HB 1 85 VAL HB . . 5.700 5.138 4.076 5.725 0.025 4 0 "[ . 1 . 2]" 1
33 1 3 ILE MG 1 4 LYS HA . . 7.020 3.870 3.744 4.201 . 0 0 "[ . 1 . 2]" 1
34 1 3 ILE MG 1 5 LEU HA . . 7.020 3.584 2.834 4.124 . 0 0 "[ . 1 . 2]" 1
35 1 3 ILE MG 1 47 LYS HA . . 7.020 5.338 5.038 5.556 . 0 0 "[ . 1 . 2]" 1
36 1 3 ILE MG 1 47 LYS HD2 . . 6.320 2.510 2.085 4.927 . 0 0 "[ . 1 . 2]" 1
37 1 3 ILE MG 1 47 LYS HD3 . . 6.320 2.723 1.859 4.097 . 0 0 "[ . 1 . 2]" 1
38 1 3 ILE MG 1 47 LYS HE2 . . 6.320 3.757 1.873 4.425 . 0 0 "[ . 1 . 2]" 1
39 1 3 ILE MG 1 47 LYS HE3 . . 6.320 3.807 1.937 4.380 . 0 0 "[ . 1 . 2]" 1
40 1 3 ILE MG 1 48 LEU HB2 . . 6.320 3.385 2.572 3.891 . 0 0 "[ . 1 . 2]" 1
41 1 3 ILE MG 1 48 LEU HB3 . . 6.320 4.806 3.973 5.309 . 0 0 "[ . 1 . 2]" 1
42 1 3 ILE MD 1 47 LYS HD2 . . 6.320 3.665 2.857 5.797 . 0 0 "[ . 1 . 2]" 1
43 1 3 ILE MD 1 47 LYS HD3 . . 6.320 3.886 3.177 5.257 . 0 0 "[ . 1 . 2]" 1
44 1 3 ILE MD 1 47 LYS HE2 . . 6.320 5.251 3.300 6.323 0.003 18 0 "[ . 1 . 2]" 1
45 1 3 ILE MD 1 47 LYS HE3 . . 6.320 5.199 3.902 5.968 . 0 0 "[ . 1 . 2]" 1
46 1 3 ILE MD 1 48 LEU HA . . 4.820 2.759 2.333 3.329 . 0 0 "[ . 1 . 2]" 1
47 1 3 ILE MD 1 48 LEU HG . . 6.320 4.201 2.721 4.730 . 0 0 "[ . 1 . 2]" 1
48 1 3 ILE MD 1 84 LYS HA . . 7.020 5.426 5.004 5.774 . 0 0 "[ . 1 . 2]" 1
49 1 3 ILE MD 1 85 VAL HB . . 6.320 3.548 3.053 3.829 . 0 0 "[ . 1 . 2]" 1
50 1 4 LYS HA 1 4 LYS HG2 . . 3.500 3.001 2.357 3.568 0.068 5 0 "[ . 1 . 2]" 1
51 1 4 LYS HA 1 4 LYS HG3 . . 3.500 2.923 2.294 3.675 0.175 15 0 "[ . 1 . 2]" 1
52 1 4 LYS HA 1 4 LYS HE2 . . 5.700 4.739 4.095 5.850 0.150 14 0 "[ . 1 . 2]" 1
53 1 4 LYS HA 1 4 LYS HE3 . . 5.700 4.941 4.199 5.816 0.116 18 0 "[ . 1 . 2]" 1
54 1 4 LYS HA 1 81 VAL HA . . 5.700 5.491 5.334 5.663 . 0 0 "[ . 1 . 2]" 1
55 1 4 LYS HA 1 82 TYR HB2 . . 5.700 4.891 4.273 5.345 . 0 0 "[ . 1 . 2]" 1
56 1 4 LYS HA 1 82 TYR HB3 . . 5.700 5.095 4.681 5.613 . 0 0 "[ . 1 . 2]" 1
57 1 4 LYS HB2 1 4 LYS HE2 . . 5.000 2.963 2.006 4.678 . 0 0 "[ . 1 . 2]" 1
58 1 4 LYS HB2 1 4 LYS HE3 . . 5.000 3.370 2.040 4.962 . 0 0 "[ . 1 . 2]" 1
59 1 4 LYS HB2 1 82 TYR HA . . 5.000 4.051 3.547 5.129 0.129 11 0 "[ . 1 . 2]" 1
60 1 4 LYS HB3 1 4 LYS HE2 . . 5.000 2.869 1.959 3.970 . 0 0 "[ . 1 . 2]" 1
61 1 4 LYS HB3 1 4 LYS HE3 . . 5.000 2.970 1.886 4.046 . 0 0 "[ . 1 . 2]" 1
62 1 4 LYS HB3 1 82 TYR HA . . 5.000 4.932 4.103 5.167 0.167 12 0 "[ . 1 . 2]" 1
63 1 4 LYS QD 1 79 ASP QB . . 9.960 8.218 6.503 9.970 0.010 5 0 "[ . 1 . 2]" 1
64 1 4 LYS QD 1 80 PHE HB2 . . 7.480 5.906 4.281 7.482 0.002 5 0 "[ . 1 . 2]" 1
65 1 4 LYS QD 1 80 PHE HB3 . . 7.480 6.401 4.747 7.481 0.001 5 0 "[ . 1 . 2]" 1
66 1 4 LYS HE2 1 6 ILE MD . . 6.320 5.155 3.071 6.405 0.085 5 0 "[ . 1 . 2]" 1
67 1 4 LYS HE3 1 6 ILE MD . . 6.320 4.753 2.052 6.424 0.104 18 0 "[ . 1 . 2]" 1
68 1 5 LEU HA 1 5 LEU HG . . 3.500 2.893 2.425 3.216 . 0 0 "[ . 1 . 2]" 1
69 1 5 LEU HA 1 6 ILE HG12 . . 5.700 4.739 3.776 5.859 0.159 14 0 "[ . 1 . 2]" 1
70 1 5 LEU HA 1 6 ILE HG13 . . 5.700 5.022 3.648 5.616 . 0 0 "[ . 1 . 2]" 1
71 1 5 LEU HA 1 6 ILE MD . . 6.320 4.052 2.870 5.290 . 0 0 "[ . 1 . 2]" 1
72 1 5 LEU HA 1 41 ALA MB . . 6.320 4.524 3.128 5.647 . 0 0 "[ . 1 . 2]" 1
73 1 5 LEU HA 1 42 ALA MB . . 7.020 5.547 4.734 5.976 . 0 0 "[ . 1 . 2]" 1
74 1 5 LEU HB2 1 41 ALA MB . . 6.320 5.042 3.431 6.370 0.050 9 0 "[ . 1 . 2]" 1
75 1 5 LEU HB2 1 81 VAL HB . . 5.000 2.054 1.803 2.742 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU HB3 1 41 ALA MB . . 6.320 3.693 2.156 5.153 . 0 0 "[ . 1 . 2]" 1
77 1 5 LEU HB3 1 81 VAL HB . . 5.000 3.022 2.040 3.590 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU HG 1 42 ALA HA . . 5.000 4.505 3.826 5.086 0.086 20 0 "[ . 1 . 2]" 1
79 1 5 LEU MD1 1 41 ALA MB . . 6.840 3.839 2.952 4.974 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU MD1 1 42 ALA MB . . 8.340 2.198 1.940 2.786 . 0 0 "[ . 1 . 2]" 1
81 1 5 LEU MD1 1 81 VAL HB . . 7.020 3.341 2.841 3.688 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU MD2 1 41 ALA MB . . 6.840 2.998 2.402 4.216 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU MD2 1 42 ALA MB . . 8.340 2.650 2.228 2.974 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU MD2 1 81 VAL HB . . 7.020 4.468 3.969 4.900 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE HA 1 6 ILE HG12 . . 3.500 3.174 2.383 3.777 0.277 12 0 "[ . 1 . 2]" 1
86 1 6 ILE HA 1 6 ILE HG13 . . 3.500 3.143 2.527 3.633 0.133 17 0 "[ . 1 . 2]" 1
87 1 6 ILE HA 1 79 ASP QB . . 8.180 4.899 4.309 5.501 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE HA 1 80 PHE HA . . 3.500 2.555 2.304 2.841 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HA 1 80 PHE HB2 . . 5.700 4.700 4.387 5.036 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE HA 1 80 PHE HB3 . . 5.700 5.457 5.284 5.730 0.030 9 0 "[ . 1 . 2]" 1
91 1 6 ILE HA 1 81 VAL HB . . 5.000 4.581 4.283 5.002 0.002 11 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 7 LYS HA . . 5.700 5.285 5.061 5.516 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE MG 1 7 LYS HA . . 7.020 4.136 3.963 4.323 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE MG 1 79 ASP HA . . 6.320 2.687 2.029 3.117 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MG 1 79 ASP QB . . 9.100 3.069 2.479 3.999 . 0 0 "[ . 1 . 2]" 1
96 1 6 ILE MG 1 80 PHE HA . . 6.320 3.779 3.468 4.210 . 0 0 "[ . 1 . 2]" 1
97 1 6 ILE HG12 1 80 PHE HA . . 5.000 4.504 3.012 5.394 0.394 11 0 "[ . 1 . 2]" 1
98 1 6 ILE HG13 1 80 PHE HA . . 5.000 4.397 3.224 5.089 0.089 4 0 "[ . 1 . 2]" 1
99 1 6 ILE MD 1 79 ASP HA . . 6.320 4.953 3.761 6.205 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE MD 1 80 PHE HA . . 6.320 3.386 2.211 4.698 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE MD 1 80 PHE HB2 . . 6.320 4.438 3.279 5.481 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE MD 1 80 PHE HB3 . . 6.320 5.546 4.440 6.381 0.061 15 0 "[ . 1 . 2]" 1
103 1 7 LYS HA 1 7 LYS HG2 . . 3.500 2.799 2.351 3.673 0.173 12 0 "[ . 1 . 2]" 1
104 1 7 LYS HA 1 7 LYS HG3 . . 3.500 3.057 2.282 3.741 0.241 16 0 "[ . 1 . 2]" 1
105 1 7 LYS HA 1 11 GLY HA2 . . 5.700 4.574 3.576 4.972 . 0 0 "[ . 1 . 2]" 1
106 1 7 LYS HA 1 11 GLY HA3 . . 5.700 5.594 4.759 5.809 0.109 18 0 "[ . 1 . 2]" 1
107 1 7 LYS HA 1 12 LEU HA . . 5.000 3.202 2.633 3.753 . 0 0 "[ . 1 . 2]" 1
108 1 7 LYS HA 1 12 LEU HG . . 5.700 3.522 3.058 4.699 . 0 0 "[ . 1 . 2]" 1
109 1 7 LYS HA 1 12 LEU MD1 . . 7.020 3.742 2.084 4.279 . 0 0 "[ . 1 . 2]" 1
110 1 7 LYS HA 1 12 LEU MD2 . . 7.020 4.821 4.207 5.499 . 0 0 "[ . 1 . 2]" 1
111 1 7 LYS HA 1 41 ALA MB . . 6.320 3.329 2.572 4.540 . 0 0 "[ . 1 . 2]" 1
112 1 7 LYS HA 1 78 SER HA . . 5.700 5.673 5.006 5.952 0.252 3 0 "[ . 1 . 2]" 1
113 1 7 LYS HA 1 79 ASP HA . . 5.000 4.286 3.752 4.954 . 0 0 "[ . 1 . 2]" 1
114 1 7 LYS HB2 1 78 SER HA . . 5.000 3.897 3.305 4.362 . 0 0 "[ . 1 . 2]" 1
115 1 7 LYS HB2 1 79 ASP QB . . 8.180 5.425 4.237 6.315 . 0 0 "[ . 1 . 2]" 1
116 1 7 LYS HB2 1 80 PHE HA . . 5.700 5.169 4.502 5.712 0.012 2 0 "[ . 1 . 2]" 1
117 1 7 LYS HB3 1 78 SER HA . . 5.000 3.015 2.192 3.560 . 0 0 "[ . 1 . 2]" 1
118 1 7 LYS HB3 1 79 ASP QB . . 8.180 4.257 3.610 5.181 . 0 0 "[ . 1 . 2]" 1
119 1 7 LYS HB3 1 80 PHE HA . . 5.700 5.199 4.503 5.803 0.103 19 0 "[ . 1 . 2]" 1
120 1 7 LYS HG2 1 11 GLY HA2 . . 5.000 2.890 2.106 4.006 . 0 0 "[ . 1 . 2]" 1
121 1 7 LYS HG2 1 11 GLY HA3 . . 5.000 4.371 3.670 5.126 0.126 12 0 "[ . 1 . 2]" 1
122 1 7 LYS HG2 1 77 THR HB . . 5.000 4.958 3.497 5.137 0.137 3 0 "[ . 1 . 2]" 1
123 1 7 LYS HG2 1 79 ASP HA . . 5.700 4.779 3.618 5.727 0.027 10 0 "[ . 1 . 2]" 1
124 1 7 LYS HG3 1 11 GLY HA2 . . 5.000 3.386 2.561 4.012 . 0 0 "[ . 1 . 2]" 1
125 1 7 LYS HG3 1 11 GLY HA3 . . 5.000 4.677 3.740 5.090 0.090 1 0 "[ . 1 . 2]" 1
126 1 7 LYS HG3 1 77 THR HB . . 5.000 4.031 3.235 5.146 0.146 4 0 "[ . 1 . 2]" 1
127 1 7 LYS HG3 1 79 ASP HA . . 5.700 5.009 4.184 5.791 0.091 14 0 "[ . 1 . 2]" 1
128 1 7 LYS QD 1 78 SER HA . . 7.480 2.430 1.792 4.396 . 0 0 "[ . 1 . 2]" 1
129 1 7 LYS QD 1 78 SER QB . . 9.970 4.076 3.413 5.640 . 0 0 "[ . 1 . 2]" 1
130 1 7 LYS QD 1 79 ASP HA . . 7.480 4.064 2.311 5.956 . 0 0 "[ . 1 . 2]" 1
131 1 7 LYS QE 1 11 GLY HA2 . . 7.480 2.870 1.885 4.346 . 0 0 "[ . 1 . 2]" 1
132 1 7 LYS QE 1 11 GLY HA3 . . 7.480 4.191 2.391 5.838 . 0 0 "[ . 1 . 2]" 1
133 1 7 LYS QE 1 12 LEU HG . . 7.480 5.629 3.888 7.559 0.079 17 0 "[ . 1 . 2]" 1
134 1 7 LYS QE 1 12 LEU MD1 . . 10.000 3.809 2.042 5.180 . 0 0 "[ . 1 . 2]" 1
135 1 7 LYS QE 1 12 LEU MD2 . . 10.000 5.905 4.315 6.988 . 0 0 "[ . 1 . 2]" 1
136 1 7 LYS QE 1 77 THR HB . . 8.180 5.229 4.343 6.136 . 0 0 "[ . 1 . 2]" 1
137 1 7 LYS QE 1 77 THR MG . . 10.000 5.721 4.568 6.645 . 0 0 "[ . 1 . 2]" 1
138 1 7 LYS QE 1 78 SER HA . . 7.480 3.461 1.867 4.946 . 0 0 "[ . 1 . 2]" 1
139 1 7 LYS QE 1 78 SER QB . . 9.960 4.553 3.116 6.245 . 0 0 "[ . 1 . 2]" 1
140 1 7 LYS QE 1 79 ASP HA . . 7.480 5.416 4.421 7.303 . 0 0 "[ . 1 . 2]" 1
141 1 7 LYS QE 1 81 VAL MG1 . . 10.000 6.930 5.293 7.898 . 0 0 "[ . 1 . 2]" 1
142 1 7 LYS QE 1 81 VAL MG2 . . 10.000 5.154 4.034 5.957 . 0 0 "[ . 1 . 2]" 1
143 1 8 GLY HA2 1 9 PRO QG . . 5.790 4.371 3.947 4.685 . 0 0 "[ . 1 . 2]" 1
144 1 8 GLY HA2 1 9 PRO HD2 . . 3.500 3.316 2.994 3.536 0.036 8 0 "[ . 1 . 2]" 1
145 1 8 GLY HA2 1 9 PRO HD3 . . 3.500 2.698 2.338 3.105 . 0 0 "[ . 1 . 2]" 1
146 1 8 GLY HA3 1 9 PRO QG . . 5.790 4.016 3.835 4.265 . 0 0 "[ . 1 . 2]" 1
147 1 8 GLY HA3 1 9 PRO HD2 . . 3.500 2.304 1.992 2.738 . 0 0 "[ . 1 . 2]" 1
148 1 8 GLY HA3 1 9 PRO HD3 . . 3.500 2.701 2.369 3.079 . 0 0 "[ . 1 . 2]" 1
149 1 9 PRO QG 1 10 LYS QD . . 9.970 5.437 3.825 7.112 . 0 0 "[ . 1 . 2]" 1
150 1 9 PRO QG 1 10 LYS QE . . 9.970 5.933 4.327 8.075 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS QD 1 37 ILE MG . . 9.100 3.310 2.025 4.808 . 0 0 "[ . 1 . 2]" 1
152 1 10 LYS QE 1 37 ILE MG . . 9.100 2.878 2.084 4.085 . 0 0 "[ . 1 . 2]" 1
153 1 12 LEU MD1 1 81 VAL HA . . 7.020 5.942 5.094 6.697 . 0 0 "[ . 1 . 2]" 1
154 1 12 LEU MD2 1 81 VAL HA . . 7.020 5.065 4.680 5.682 . 0 0 "[ . 1 . 2]" 1
155 1 13 GLY HA2 1 37 ILE HB . . 3.500 2.789 2.194 3.434 . 0 0 "[ . 1 . 2]" 1
156 1 13 GLY HA2 1 37 ILE MG . . 6.320 3.662 3.001 4.278 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLY HA2 1 37 ILE HG12 . . 5.000 3.757 3.116 4.205 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLY HA2 1 37 ILE HG13 . . 5.000 3.357 2.671 3.758 . 0 0 "[ . 1 . 2]" 1
159 1 13 GLY HA2 1 37 ILE MD . . 6.320 4.756 4.185 5.079 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLY HA2 1 40 GLY HA2 . . 5.000 4.309 3.732 5.029 0.029 9 0 "[ . 1 . 2]" 1
161 1 13 GLY HA2 1 40 GLY HA3 . . 5.000 3.770 3.267 4.294 . 0 0 "[ . 1 . 2]" 1
162 1 13 GLY HA2 1 42 ALA MB . . 7.020 5.208 4.815 5.712 . 0 0 "[ . 1 . 2]" 1
163 1 13 GLY HA3 1 37 ILE HB . . 3.500 2.935 2.538 3.241 . 0 0 "[ . 1 . 2]" 1
164 1 13 GLY HA3 1 37 ILE MG . . 6.320 4.015 3.682 4.321 . 0 0 "[ . 1 . 2]" 1
165 1 13 GLY HA3 1 37 ILE HG12 . . 5.000 4.544 3.997 5.124 0.124 12 0 "[ . 1 . 2]" 1
166 1 13 GLY HA3 1 37 ILE HG13 . . 5.000 4.529 3.974 5.004 0.004 12 0 "[ . 1 . 2]" 1
167 1 13 GLY HA3 1 37 ILE MD . . 6.320 5.480 5.136 5.849 . 0 0 "[ . 1 . 2]" 1
168 1 13 GLY HA3 1 40 GLY HA2 . . 5.000 2.954 2.338 3.824 . 0 0 "[ . 1 . 2]" 1
169 1 13 GLY HA3 1 40 GLY HA3 . . 5.000 2.212 1.827 2.825 . 0 0 "[ . 1 . 2]" 1
170 1 13 GLY HA3 1 42 ALA MB . . 7.020 4.239 3.714 4.719 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE HA 1 35 LYS HB2 . . 5.700 5.157 3.945 5.807 0.107 20 0 "[ . 1 . 2]" 1
172 1 14 PHE HA 1 35 LYS HB3 . . 5.700 4.458 4.076 5.090 . 0 0 "[ . 1 . 2]" 1
173 1 14 PHE HA 1 36 ILE HA . . 3.500 2.214 2.080 2.346 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE HA 1 36 ILE HB . . 5.700 5.228 5.071 5.379 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE HA 1 36 ILE MG . . 6.320 3.597 3.351 3.759 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE HA 1 36 ILE QG . . 5.000 4.034 3.877 4.178 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE HA 1 36 ILE MD . . 6.320 5.462 5.287 5.604 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE HA 1 37 ILE HA . . 5.700 4.570 4.175 5.071 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HA 1 37 ILE HB . . 5.000 3.727 3.206 4.158 . 0 0 "[ . 1 . 2]" 1
180 1 14 PHE HA 1 37 ILE MG . . 6.320 4.871 4.543 5.256 . 0 0 "[ . 1 . 2]" 1
181 1 14 PHE HA 1 37 ILE HG12 . . 5.000 2.323 2.117 2.770 . 0 0 "[ . 1 . 2]" 1
182 1 14 PHE HA 1 37 ILE HG13 . . 5.000 3.843 3.637 4.262 . 0 0 "[ . 1 . 2]" 1
183 1 14 PHE HA 1 37 ILE MD . . 6.320 3.750 3.427 4.100 . 0 0 "[ . 1 . 2]" 1
184 1 14 PHE HA 1 42 ALA MB . . 6.320 4.736 4.356 5.167 . 0 0 "[ . 1 . 2]" 1
185 1 14 PHE HB2 1 16 ILE MG . . 7.020 4.100 3.823 4.395 . 0 0 "[ . 1 . 2]" 1
186 1 14 PHE HB2 1 33 VAL MG1 . . 7.020 2.456 2.147 2.820 . 0 0 "[ . 1 . 2]" 1
187 1 14 PHE HB2 1 33 VAL MG2 . . 7.020 4.092 3.720 4.510 . 0 0 "[ . 1 . 2]" 1
188 1 14 PHE HB2 1 36 ILE HA . . 5.000 2.452 2.167 2.764 . 0 0 "[ . 1 . 2]" 1
189 1 14 PHE HB2 1 36 ILE MG . . 6.320 3.382 3.045 3.786 . 0 0 "[ . 1 . 2]" 1
190 1 14 PHE HB2 1 36 ILE MD . . 6.320 4.239 3.953 4.615 . 0 0 "[ . 1 . 2]" 1
191 1 14 PHE HB2 1 42 ALA MB . . 6.320 4.164 3.556 4.547 . 0 0 "[ . 1 . 2]" 1
192 1 14 PHE HB3 1 16 ILE MG . . 7.020 5.192 4.971 5.423 . 0 0 "[ . 1 . 2]" 1
193 1 14 PHE HB3 1 33 VAL MG1 . . 7.020 3.644 3.326 4.069 . 0 0 "[ . 1 . 2]" 1
194 1 14 PHE HB3 1 33 VAL MG2 . . 7.020 4.976 4.617 5.331 . 0 0 "[ . 1 . 2]" 1
195 1 14 PHE HB3 1 36 ILE HA . . 5.000 2.447 2.227 2.814 . 0 0 "[ . 1 . 2]" 1
196 1 14 PHE HB3 1 36 ILE MG . . 6.320 2.277 2.061 2.579 . 0 0 "[ . 1 . 2]" 1
197 1 14 PHE HB3 1 36 ILE MD . . 6.320 4.073 3.903 4.333 . 0 0 "[ . 1 . 2]" 1
198 1 14 PHE HB3 1 42 ALA MB . . 6.320 2.843 2.316 3.240 . 0 0 "[ . 1 . 2]" 1
199 1 15 SER HA 1 35 LYS HB2 . . 5.700 5.026 4.160 5.736 0.036 20 0 "[ . 1 . 2]" 1
200 1 15 SER HA 1 35 LYS HB3 . . 5.700 5.269 4.451 5.824 0.124 10 0 "[ . 1 . 2]" 1
201 1 15 SER QB 1 35 LYS HA . . 7.480 4.324 4.126 4.496 . 0 0 "[ . 1 . 2]" 1
202 1 15 SER QB 1 35 LYS HB2 . . 7.480 2.228 1.790 2.765 . 0 0 "[ . 1 . 2]" 1
203 1 15 SER QB 1 35 LYS HB3 . . 7.480 2.772 1.921 3.485 . 0 0 "[ . 1 . 2]" 1
204 1 15 SER QB 1 35 LYS HG2 . . 7.480 4.060 2.426 4.853 . 0 0 "[ . 1 . 2]" 1
205 1 15 SER QB 1 35 LYS HG3 . . 7.480 3.882 2.570 4.720 . 0 0 "[ . 1 . 2]" 1
206 1 15 SER QB 1 36 ILE HA . . 7.480 5.023 4.600 5.315 . 0 0 "[ . 1 . 2]" 1
207 1 15 SER QB 1 37 ILE MD . . 9.100 4.016 3.326 4.720 . 0 0 "[ . 1 . 2]" 1
208 1 15 SER QB 1 50 ILE MD . . 10.000 5.770 5.620 6.007 . 0 0 "[ . 1 . 2]" 1
209 1 16 ILE HA 1 17 ALA HA . . 5.700 4.477 4.400 4.649 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE HA 1 17 ALA MB . . 6.320 3.919 3.880 3.967 . 0 0 "[ . 1 . 2]" 1
211 1 16 ILE HA 1 31 ILE MG . . 6.320 3.948 3.600 4.174 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE HA 1 31 ILE MD . . 7.420 6.447 5.406 6.879 . 0 0 "[ . 1 . 2]" 1
213 1 16 ILE HA 1 33 VAL HA . . 3.500 2.389 2.145 2.582 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE HA 1 33 VAL MG1 . . 6.320 3.996 3.650 4.140 . 0 0 "[ . 1 . 2]" 1
215 1 16 ILE HA 1 33 VAL MG2 . . 6.320 4.125 3.811 4.300 . 0 0 "[ . 1 . 2]" 1
216 1 16 ILE HA 1 34 THR MG . . 7.020 5.014 4.826 5.144 . 0 0 "[ . 1 . 2]" 1
217 1 16 ILE HA 1 54 LEU MD1 . . 7.020 4.727 3.762 5.426 . 0 0 "[ . 1 . 2]" 1
218 1 16 ILE HA 1 54 LEU MD2 . . 7.020 6.175 4.555 6.827 . 0 0 "[ . 1 . 2]" 1
219 1 16 ILE HB 1 33 VAL HA . . 5.000 3.936 3.768 4.076 . 0 0 "[ . 1 . 2]" 1
220 1 16 ILE HB 1 54 LEU HG . . 5.000 5.082 5.025 5.160 0.160 16 0 "[ . 1 . 2]" 1
221 1 16 ILE HB 1 70 ALA MB . . 6.320 5.042 4.791 5.665 . 0 0 "[ . 1 . 2]" 1
222 1 16 ILE MG 1 17 ALA HA . . 7.020 5.353 5.210 5.489 . 0 0 "[ . 1 . 2]" 1
223 1 16 ILE MG 1 31 ILE HB . . 6.320 4.397 3.914 4.905 . 0 0 "[ . 1 . 2]" 1
224 1 16 ILE MG 1 32 TYR HA . . 7.020 4.426 4.001 5.002 . 0 0 "[ . 1 . 2]" 1
225 1 16 ILE MG 1 33 VAL HA . . 4.820 2.243 2.011 2.683 . 0 0 "[ . 1 . 2]" 1
226 1 16 ILE MG 1 34 THR HB . . 7.020 5.334 5.161 5.539 . 0 0 "[ . 1 . 2]" 1
227 1 16 ILE MG 1 54 LEU HG . . 6.320 3.579 3.305 3.851 . 0 0 "[ . 1 . 2]" 1
228 1 16 ILE MG 1 70 ALA MB . . 8.340 5.009 4.688 5.659 . 0 0 "[ . 1 . 2]" 1
229 1 16 ILE QG 1 17 ALA HA . . 5.700 3.940 3.736 4.314 . 0 0 "[ . 1 . 2]" 1
230 1 16 ILE QG 1 70 ALA MB . . 6.320 4.532 4.277 5.066 . 0 0 "[ . 1 . 2]" 1
231 1 16 ILE MD 1 17 ALA HA . . 7.020 4.944 4.825 5.085 . 0 0 "[ . 1 . 2]" 1
232 1 16 ILE MD 1 17 ALA MB . . 9.040 5.548 5.483 5.657 . 0 0 "[ . 1 . 2]" 1
233 1 16 ILE MD 1 31 ILE HA . . 7.020 4.788 4.367 5.163 . 0 0 "[ . 1 . 2]" 1
234 1 16 ILE MD 1 31 ILE HB . . 6.320 4.196 4.023 4.405 . 0 0 "[ . 1 . 2]" 1
235 1 16 ILE MD 1 33 VAL HA . . 7.020 5.241 5.022 5.515 . 0 0 "[ . 1 . 2]" 1
236 1 16 ILE MD 1 54 LEU MD1 . . 8.340 2.965 2.538 3.815 . 0 0 "[ . 1 . 2]" 1
237 1 16 ILE MD 1 54 LEU MD2 . . 8.340 4.487 2.410 5.353 . 0 0 "[ . 1 . 2]" 1
238 1 16 ILE MD 1 70 ALA HA . . 6.320 4.887 4.645 5.522 . 0 0 "[ . 1 . 2]" 1
239 1 16 ILE MD 1 70 ALA MB . . 6.840 2.988 2.710 3.619 . 0 0 "[ . 1 . 2]" 1
240 1 16 ILE MD 1 71 VAL HA . . 4.820 2.246 1.949 2.596 . 0 0 "[ . 1 . 2]" 1
241 1 16 ILE MD 1 71 VAL HB . . 7.020 4.232 3.971 4.532 . 0 0 "[ . 1 . 2]" 1
242 1 16 ILE MD 1 71 VAL MG1 . . 8.340 2.798 2.453 3.348 . 0 0 "[ . 1 . 2]" 1
243 1 16 ILE MD 1 71 VAL MG2 . . 8.340 2.064 1.899 2.351 . 0 0 "[ . 1 . 2]" 1
244 1 16 ILE MD 1 74 LEU MD1 . . 8.340 2.178 1.970 3.944 . 0 0 "[ . 1 . 2]" 1
245 1 16 ILE MD 1 74 LEU MD2 . . 8.340 2.508 1.953 3.071 . 0 0 "[ . 1 . 2]" 1
246 1 17 ALA MB 1 18 GLY HA2 . . 6.320 3.961 3.869 4.081 . 0 0 "[ . 1 . 2]" 1
247 1 17 ALA MB 1 18 GLY HA3 . . 6.320 4.318 4.222 4.449 . 0 0 "[ . 1 . 2]" 1
248 1 17 ALA MB 1 24 HIS HA . . 6.320 4.391 3.934 4.832 . 0 0 "[ . 1 . 2]" 1
249 1 17 ALA MB 1 24 HIS HB2 . . 6.320 3.353 2.838 3.773 . 0 0 "[ . 1 . 2]" 1
250 1 17 ALA MB 1 24 HIS HB3 . . 6.320 4.761 4.317 5.155 . 0 0 "[ . 1 . 2]" 1
251 1 17 ALA MB 1 31 ILE HA . . 6.320 5.313 5.089 5.610 . 0 0 "[ . 1 . 2]" 1
252 1 17 ALA MB 1 32 TYR HA . . 7.020 5.835 5.696 5.975 . 0 0 "[ . 1 . 2]" 1
253 1 17 ALA MB 1 32 TYR HB2 . . 6.320 4.125 3.750 4.849 . 0 0 "[ . 1 . 2]" 1
254 1 17 ALA MB 1 32 TYR HB3 . . 6.320 4.755 3.608 4.996 . 0 0 "[ . 1 . 2]" 1
255 1 17 ALA MB 1 34 THR HA . . 6.320 4.622 4.466 4.867 . 0 0 "[ . 1 . 2]" 1
256 1 17 ALA MB 1 34 THR HB . . 6.320 3.491 2.904 4.044 . 0 0 "[ . 1 . 2]" 1
257 1 17 ALA MB 1 34 THR MG . . 6.840 3.066 2.763 3.398 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLY HA2 1 23 GLN HA . . 5.000 2.636 1.963 3.043 . 0 0 "[ . 1 . 2]" 1
259 1 18 GLY HA2 1 24 HIS HB2 . . 5.000 3.676 3.125 4.354 . 0 0 "[ . 1 . 2]" 1
260 1 18 GLY HA2 1 24 HIS HB3 . . 5.000 4.703 4.408 5.009 0.009 15 0 "[ . 1 . 2]" 1
261 1 18 GLY HA2 1 31 ILE HA . . 4.000 3.681 3.520 4.026 0.026 6 0 "[ . 1 . 2]" 1
262 1 18 GLY HA2 1 31 ILE MG . . 7.020 4.731 4.212 5.553 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLY HA2 1 31 ILE MD . . 6.320 4.065 3.881 4.385 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLY HA3 1 23 GLN HA . . 5.000 3.578 2.849 3.989 . 0 0 "[ . 1 . 2]" 1
265 1 18 GLY HA3 1 24 HIS HB2 . . 5.000 3.847 3.261 4.596 . 0 0 "[ . 1 . 2]" 1
266 1 18 GLY HA3 1 24 HIS HB3 . . 5.000 4.586 4.285 5.024 0.024 9 0 "[ . 1 . 2]" 1
267 1 18 GLY HA3 1 31 ILE HA . . 4.000 1.974 1.821 2.309 . 0 0 "[ . 1 . 2]" 1
268 1 18 GLY HA3 1 31 ILE MG . . 7.020 3.471 3.097 4.206 . 0 0 "[ . 1 . 2]" 1
269 1 18 GLY HA3 1 31 ILE MD . . 6.320 3.083 2.725 3.589 . 0 0 "[ . 1 . 2]" 1
270 1 19 GLY HA2 1 20 VAL MG1 . . 7.020 5.692 5.653 5.736 . 0 0 "[ . 1 . 2]" 1
271 1 19 GLY HA2 1 20 VAL MG2 . . 7.020 3.893 3.814 3.986 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLY HA2 1 31 ILE MD . . 4.820 2.431 2.077 3.365 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLY HA2 1 67 HIS HA . . 5.000 4.135 3.646 4.524 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLY HA2 1 70 ALA MB . . 7.020 4.434 3.913 4.875 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLY HA3 1 20 VAL MG1 . . 7.020 5.650 5.614 5.715 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLY HA3 1 20 VAL MG2 . . 7.020 4.314 4.219 4.434 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLY HA3 1 31 ILE MD . . 4.820 2.897 2.445 3.322 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLY HA3 1 67 HIS HA . . 5.000 2.958 2.563 3.311 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLY HA3 1 70 ALA MB . . 7.020 4.310 3.861 5.004 . 0 0 "[ . 1 . 2]" 1
280 1 20 VAL HA 1 29 ASN HA . . 5.000 4.805 4.343 5.066 0.066 19 0 "[ . 1 . 2]" 1
281 1 20 VAL HA 1 29 ASN HB2 . . 5.000 4.774 3.672 5.014 0.014 2 0 "[ . 1 . 2]" 1
282 1 20 VAL HA 1 29 ASN HB3 . . 5.000 4.696 2.507 5.144 0.144 13 0 "[ . 1 . 2]" 1
283 1 20 VAL HA 1 66 THR HA . . 5.000 4.663 4.300 4.976 . 0 0 "[ . 1 . 2]" 1
284 1 20 VAL HA 1 66 THR MG . . 6.320 5.077 4.530 5.436 . 0 0 "[ . 1 . 2]" 1
285 1 20 VAL HB 1 66 THR HA . . 3.500 2.640 2.223 3.271 . 0 0 "[ . 1 . 2]" 1
286 1 20 VAL HB 1 66 THR HB . . 5.000 4.693 3.984 5.073 0.073 2 0 "[ . 1 . 2]" 1
287 1 20 VAL HB 1 66 THR MG . . 4.820 2.526 2.106 2.925 . 0 0 "[ . 1 . 2]" 1
288 1 20 VAL MG1 1 21 GLY HA2 . . 7.020 4.025 3.835 4.226 . 0 0 "[ . 1 . 2]" 1
289 1 20 VAL MG1 1 21 GLY HA3 . . 7.020 3.447 3.364 3.554 . 0 0 "[ . 1 . 2]" 1
290 1 20 VAL MG1 1 29 ASN HB2 . . 6.320 5.702 5.078 6.112 . 0 0 "[ . 1 . 2]" 1
291 1 20 VAL MG1 1 29 ASN HB3 . . 6.320 5.756 4.472 6.321 0.001 13 0 "[ . 1 . 2]" 1
292 1 20 VAL MG1 1 66 THR HA . . 6.320 4.261 3.916 4.777 . 0 0 "[ . 1 . 2]" 1
293 1 20 VAL MG1 1 66 THR HB . . 6.320 5.742 4.993 6.168 . 0 0 "[ . 1 . 2]" 1
294 1 20 VAL MG1 1 66 THR MG . . 8.340 3.510 2.916 3.852 . 0 0 "[ . 1 . 2]" 1
295 1 20 VAL MG2 1 21 GLY HA2 . . 7.020 5.812 5.696 5.907 . 0 0 "[ . 1 . 2]" 1
296 1 20 VAL MG2 1 21 GLY HA3 . . 7.020 5.514 5.463 5.550 . 0 0 "[ . 1 . 2]" 1
297 1 20 VAL MG2 1 29 ASN HB2 . . 6.320 5.170 3.529 5.641 . 0 0 "[ . 1 . 2]" 1
298 1 20 VAL MG2 1 29 ASN HB3 . . 6.320 4.632 3.214 5.013 . 0 0 "[ . 1 . 2]" 1
299 1 20 VAL MG2 1 66 THR HA . . 6.320 2.821 2.394 3.109 . 0 0 "[ . 1 . 2]" 1
300 1 20 VAL MG2 1 66 THR HB . . 6.320 4.767 4.345 5.071 . 0 0 "[ . 1 . 2]" 1
301 1 20 VAL MG2 1 66 THR MG . . 8.340 3.316 2.707 3.938 . 0 0 "[ . 1 . 2]" 1
302 1 21 GLY HA2 1 22 ASN HA . . 5.700 4.572 4.477 4.649 . 0 0 "[ . 1 . 2]" 1
303 1 21 GLY HA3 1 22 ASN HA . . 5.700 4.455 4.389 4.558 . 0 0 "[ . 1 . 2]" 1
304 1 22 ASN HB2 1 67 HIS HB2 . . 5.700 3.146 2.663 3.951 . 0 0 "[ . 1 . 2]" 1
305 1 22 ASN HB2 1 67 HIS HB3 . . 5.700 4.022 3.300 5.021 . 0 0 "[ . 1 . 2]" 1
306 1 22 ASN HB3 1 67 HIS HB2 . . 5.700 2.765 2.229 3.247 . 0 0 "[ . 1 . 2]" 1
307 1 22 ASN HB3 1 67 HIS HB3 . . 5.700 4.246 3.572 4.856 . 0 0 "[ . 1 . 2]" 1
308 1 23 GLN HA 1 24 HIS HB2 . . 5.000 4.292 4.139 4.505 . 0 0 "[ . 1 . 2]" 1
309 1 23 GLN HA 1 24 HIS HB3 . . 5.000 4.514 4.306 4.623 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN HA 1 29 ASN HA . . 5.000 3.260 2.349 4.425 . 0 0 "[ . 1 . 2]" 1
311 1 23 GLN HB2 1 29 ASN HA . . 5.000 2.538 2.199 2.986 . 0 0 "[ . 1 . 2]" 1
312 1 23 GLN HB3 1 29 ASN HA . . 5.000 2.009 1.892 2.199 . 0 0 "[ . 1 . 2]" 1
313 1 23 GLN HG2 1 26 PRO HA . . 5.700 4.713 4.255 4.852 . 0 0 "[ . 1 . 2]" 1
314 1 23 GLN HG2 1 29 ASN HA . . 5.000 3.560 2.034 4.252 . 0 0 "[ . 1 . 2]" 1
315 1 23 GLN HG3 1 26 PRO HA . . 5.700 4.975 4.755 5.693 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLN HG3 1 29 ASN HA . . 5.000 4.282 2.686 4.777 . 0 0 "[ . 1 . 2]" 1
317 1 24 HIS HA 1 24 HIS HD2 . . 5.000 3.934 3.410 4.245 . 0 0 "[ . 1 . 2]" 1
318 1 24 HIS HA 1 24 HIS HE1 . . 5.700 5.403 5.259 5.578 . 0 0 "[ . 1 . 2]" 1
319 1 24 HIS HB2 1 31 ILE HA . . 5.700 5.183 4.764 5.645 . 0 0 "[ . 1 . 2]" 1
320 1 24 HIS HB3 1 31 ILE HA . . 5.700 5.575 5.313 5.760 0.060 6 0 "[ . 1 . 2]" 1
321 1 25 ILE HA 1 26 PRO HB2 . . 5.700 5.026 4.822 5.530 . 0 0 "[ . 1 . 2]" 1
322 1 25 ILE HA 1 26 PRO HB3 . . 5.700 5.435 5.046 5.537 . 0 0 "[ . 1 . 2]" 1
323 1 25 ILE HA 1 26 PRO HG2 . . 5.000 4.391 4.248 4.497 . 0 0 "[ . 1 . 2]" 1
324 1 25 ILE HA 1 26 PRO HG3 . . 5.000 4.200 4.076 4.474 . 0 0 "[ . 1 . 2]" 1
325 1 25 ILE HA 1 26 PRO HD2 . . 3.500 2.418 2.056 2.617 . 0 0 "[ . 1 . 2]" 1
326 1 25 ILE HA 1 26 PRO HD3 . . 3.500 2.061 1.935 2.580 . 0 0 "[ . 1 . 2]" 1
327 1 25 ILE HA 1 28 ASP HB2 . . 5.700 5.712 5.442 5.788 0.088 17 0 "[ . 1 . 2]" 1
328 1 25 ILE HA 1 28 ASP HB3 . . 5.700 4.753 4.467 5.210 . 0 0 "[ . 1 . 2]" 1
329 1 25 ILE HB 1 26 PRO HD2 . . 5.700 4.557 4.133 4.793 . 0 0 "[ . 1 . 2]" 1
330 1 25 ILE HB 1 26 PRO HD3 . . 5.700 4.857 4.712 5.209 . 0 0 "[ . 1 . 2]" 1
331 1 25 ILE HB 1 28 ASP HA . . 5.000 4.945 4.716 5.098 0.098 17 0 "[ . 1 . 2]" 1
332 1 25 ILE HB 1 28 ASP HB2 . . 3.500 3.216 2.838 3.442 . 0 0 "[ . 1 . 2]" 1
333 1 25 ILE HB 1 28 ASP HB3 . . 3.500 2.028 1.818 2.381 . 0 0 "[ . 1 . 2]" 1
334 1 25 ILE HB 1 88 PRO HB2 . . 5.700 5.213 3.847 5.743 0.043 6 0 "[ . 1 . 2]" 1
335 1 25 ILE HB 1 88 PRO HB3 . . 5.700 4.303 2.964 5.226 . 0 0 "[ . 1 . 2]" 1
336 1 25 ILE MG 1 26 PRO HA . . 6.320 4.286 4.157 4.368 . 0 0 "[ . 1 . 2]" 1
337 1 25 ILE MG 1 26 PRO HB2 . . 6.320 4.028 3.751 4.442 . 0 0 "[ . 1 . 2]" 1
338 1 25 ILE MG 1 26 PRO HB3 . . 6.320 5.018 4.836 5.229 . 0 0 "[ . 1 . 2]" 1
339 1 25 ILE MG 1 26 PRO HD2 . . 4.820 2.426 2.100 2.749 . 0 0 "[ . 1 . 2]" 1
340 1 25 ILE MG 1 26 PRO HD3 . . 4.820 3.469 3.174 3.660 . 0 0 "[ . 1 . 2]" 1
341 1 25 ILE MG 1 28 ASP HA . . 6.320 4.749 4.347 5.372 . 0 0 "[ . 1 . 2]" 1
342 1 25 ILE QG 1 26 PRO HD2 . . 5.700 4.470 3.486 4.751 . 0 0 "[ . 1 . 2]" 1
343 1 25 ILE QG 1 26 PRO HD3 . . 5.700 4.613 4.034 4.745 . 0 0 "[ . 1 . 2]" 1
344 1 25 ILE QG 1 28 ASP HB2 . . 5.700 4.609 4.353 5.129 . 0 0 "[ . 1 . 2]" 1
345 1 25 ILE QG 1 28 ASP HB3 . . 5.700 3.757 3.505 4.101 . 0 0 "[ . 1 . 2]" 1
346 1 25 ILE MD 1 26 PRO HD2 . . 6.320 3.542 3.106 5.221 . 0 0 "[ . 1 . 2]" 1
347 1 25 ILE MD 1 26 PRO HD3 . . 6.320 3.704 3.133 5.760 . 0 0 "[ . 1 . 2]" 1
348 1 25 ILE MD 1 28 ASP HB2 . . 6.320 5.220 3.804 5.578 . 0 0 "[ . 1 . 2]" 1
349 1 25 ILE MD 1 28 ASP HB3 . . 6.320 4.575 2.685 5.182 . 0 0 "[ . 1 . 2]" 1
350 1 25 ILE MD 1 32 TYR HB2 . . 7.020 5.085 3.201 5.605 . 0 0 "[ . 1 . 2]" 1
351 1 25 ILE MD 1 32 TYR HB3 . . 7.020 4.910 3.917 5.374 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLY HA2 1 28 ASP HA . . 5.700 4.473 4.411 4.556 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLY HA3 1 28 ASP HA . . 5.700 4.477 4.400 4.544 . 0 0 "[ . 1 . 2]" 1
354 1 29 ASN HB2 1 64 GLU HA . . 5.000 4.782 2.467 5.065 0.065 1 0 "[ . 1 . 2]" 1
355 1 29 ASN HB3 1 64 GLU HA . . 5.000 3.371 2.703 3.619 . 0 0 "[ . 1 . 2]" 1
356 1 30 SER HA 1 31 ILE MD . . 6.320 3.573 3.199 4.437 . 0 0 "[ . 1 . 2]" 1
357 1 30 SER HA 1 70 ALA MB . . 7.020 5.999 5.673 6.797 . 0 0 "[ . 1 . 2]" 1
358 1 30 SER HB2 1 31 ILE MD . . 7.020 5.366 5.141 5.782 . 0 0 "[ . 1 . 2]" 1
359 1 30 SER HB2 1 32 TYR QE . . 5.630 2.443 1.949 4.761 . 0 0 "[ . 1 . 2]" 1
360 1 30 SER HB2 1 53 LYS HA . . 5.700 4.301 3.560 4.974 . 0 0 "[ . 1 . 2]" 1
361 1 30 SER HB2 1 53 LYS HB2 . . 5.000 3.874 3.148 4.125 . 0 0 "[ . 1 . 2]" 1
362 1 30 SER HB2 1 53 LYS HB3 . . 5.000 4.996 4.462 5.073 0.073 19 0 "[ . 1 . 2]" 1
363 1 30 SER HB2 1 53 LYS HG2 . . 5.000 3.848 3.353 4.452 . 0 0 "[ . 1 . 2]" 1
364 1 30 SER HB2 1 53 LYS HG3 . . 5.000 2.290 2.078 2.755 . 0 0 "[ . 1 . 2]" 1
365 1 30 SER HB2 1 53 LYS HE2 . . 5.700 4.640 2.496 5.701 0.001 9 0 "[ . 1 . 2]" 1
366 1 30 SER HB2 1 53 LYS HE3 . . 5.700 4.271 2.386 5.235 . 0 0 "[ . 1 . 2]" 1
367 1 30 SER HB3 1 31 ILE MD . . 7.020 4.787 4.454 6.056 . 0 0 "[ . 1 . 2]" 1
368 1 30 SER HB3 1 32 TYR QE . . 5.630 3.906 3.549 5.692 0.062 6 0 "[ . 1 . 2]" 1
369 1 30 SER HB3 1 53 LYS HA . . 5.700 4.235 3.646 5.212 . 0 0 "[ . 1 . 2]" 1
370 1 30 SER HB3 1 53 LYS HB2 . . 5.000 4.390 4.024 4.656 . 0 0 "[ . 1 . 2]" 1
371 1 30 SER HB3 1 53 LYS HB3 . . 5.000 5.070 4.976 5.114 0.114 19 0 "[ . 1 . 2]" 1
372 1 30 SER HB3 1 53 LYS HG2 . . 5.000 3.263 2.676 4.174 . 0 0 "[ . 1 . 2]" 1
373 1 30 SER HB3 1 53 LYS HG3 . . 5.000 2.304 2.078 2.906 . 0 0 "[ . 1 . 2]" 1
374 1 30 SER HB3 1 53 LYS HE2 . . 5.700 4.704 2.474 5.575 . 0 0 "[ . 1 . 2]" 1
375 1 30 SER HB3 1 53 LYS HE3 . . 5.700 3.954 2.162 5.208 . 0 0 "[ . 1 . 2]" 1
376 1 31 ILE HA 1 32 TYR HA . . 5.000 4.414 4.323 4.476 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE HB 1 54 LEU HA . . 5.700 4.686 4.555 4.843 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE HB 1 54 LEU HG . . 5.000 3.610 2.925 4.415 . 0 0 "[ . 1 . 2]" 1
379 1 31 ILE HB 1 54 LEU MD1 . . 6.320 2.741 1.986 3.425 . 0 0 "[ . 1 . 2]" 1
380 1 31 ILE HB 1 54 LEU MD2 . . 6.320 4.228 2.432 4.734 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE HB 1 70 ALA MB . . 6.320 4.198 3.747 4.499 . 0 0 "[ . 1 . 2]" 1
382 1 31 ILE MG 1 32 TYR HB2 . . 6.320 4.816 4.700 4.954 . 0 0 "[ . 1 . 2]" 1
383 1 31 ILE MG 1 32 TYR HB3 . . 6.320 5.428 4.981 5.575 . 0 0 "[ . 1 . 2]" 1
384 1 31 ILE MG 1 67 HIS HA . . 6.320 4.333 3.683 5.377 . 0 0 "[ . 1 . 2]" 1
385 1 31 ILE MD 1 67 HIS HA . . 4.820 2.826 2.371 3.315 . 0 0 "[ . 1 . 2]" 1
386 1 31 ILE MD 1 70 ALA H . . 6.320 4.161 4.007 4.350 . 0 0 "[ . 1 . 2]" 1
387 1 31 ILE MD 1 70 ALA MB . . 6.840 2.082 1.890 2.195 . 0 0 "[ . 1 . 2]" 1
388 1 32 TYR HA 1 33 VAL HA . . 5.000 4.327 4.292 4.391 . 0 0 "[ . 1 . 2]" 1
389 1 32 TYR HA 1 33 VAL HB . . 5.000 4.642 4.563 4.733 . 0 0 "[ . 1 . 2]" 1
390 1 32 TYR HA 1 33 VAL MG1 . . 7.020 5.423 5.376 5.500 . 0 0 "[ . 1 . 2]" 1
391 1 32 TYR HA 1 33 VAL MG2 . . 7.020 3.457 3.332 3.572 . 0 0 "[ . 1 . 2]" 1
392 1 32 TYR HA 1 53 LYS HA . . 3.500 2.586 2.258 2.900 . 0 0 "[ . 1 . 2]" 1
393 1 32 TYR HA 1 54 LEU HG . . 5.000 4.081 3.635 5.067 0.067 20 0 "[ . 1 . 2]" 1
394 1 32 TYR HB2 1 53 LYS HA . . 5.000 4.810 4.048 5.022 0.022 9 0 "[ . 1 . 2]" 1
395 1 32 TYR HB3 1 53 LYS HA . . 5.000 4.578 4.203 5.061 0.061 6 0 "[ . 1 . 2]" 1
396 1 33 VAL HA 1 34 THR HB . . 5.000 4.632 4.516 4.715 . 0 0 "[ . 1 . 2]" 1
397 1 33 VAL HA 1 50 ILE HA . . 5.700 4.876 4.739 5.091 . 0 0 "[ . 1 . 2]" 1
398 1 33 VAL HB 1 36 ILE MD . . 6.320 4.304 4.014 4.842 . 0 0 "[ . 1 . 2]" 1
399 1 33 VAL HB 1 48 LEU HG . . 5.700 4.122 3.893 4.880 . 0 0 "[ . 1 . 2]" 1
400 1 33 VAL HB 1 50 ILE HA . . 3.500 2.664 2.479 2.782 . 0 0 "[ . 1 . 2]" 1
401 1 33 VAL HB 1 50 ILE HB . . 5.700 5.653 5.437 5.757 0.057 8 0 "[ . 1 . 2]" 1
402 1 33 VAL HB 1 50 ILE MG . . 6.320 4.097 3.881 4.235 . 0 0 "[ . 1 . 2]" 1
403 1 33 VAL MG1 1 36 ILE MD . . 8.340 2.606 2.214 3.143 . 0 0 "[ . 1 . 2]" 1
404 1 33 VAL MG1 1 48 LEU HG . . 6.320 2.960 2.657 4.266 . 0 0 "[ . 1 . 2]" 1
405 1 33 VAL MG1 1 50 ILE HA . . 6.320 2.377 2.131 2.795 . 0 0 "[ . 1 . 2]" 1
406 1 33 VAL MG2 1 36 ILE MD . . 8.340 4.014 3.711 4.535 . 0 0 "[ . 1 . 2]" 1
407 1 33 VAL MG2 1 48 LEU HG . . 6.320 2.812 2.494 3.349 . 0 0 "[ . 1 . 2]" 1
408 1 33 VAL MG2 1 50 ILE HA . . 6.320 4.099 3.822 4.283 . 0 0 "[ . 1 . 2]" 1
409 1 34 THR HA 1 50 ILE HA . . 5.000 4.522 4.141 4.838 . 0 0 "[ . 1 . 2]" 1
410 1 34 THR HA 1 50 ILE HB . . 5.700 5.560 5.273 5.764 0.064 9 0 "[ . 1 . 2]" 1
411 1 34 THR HA 1 50 ILE MG . . 4.820 2.510 2.237 2.734 . 0 0 "[ . 1 . 2]" 1
412 1 34 THR HB 1 35 LYS HB2 . . 5.700 3.691 2.999 4.570 . 0 0 "[ . 1 . 2]" 1
413 1 34 THR HB 1 35 LYS HB3 . . 5.700 4.863 3.747 5.712 0.012 5 0 "[ . 1 . 2]" 1
414 1 34 THR HB 1 35 LYS HG2 . . 5.700 5.002 2.840 5.831 0.131 9 0 "[ . 1 . 2]" 1
415 1 34 THR HB 1 35 LYS HG3 . . 5.700 4.872 3.198 5.704 0.004 12 0 "[ . 1 . 2]" 1
416 1 34 THR HB 1 50 ILE MG . . 6.320 4.678 4.584 4.808 . 0 0 "[ . 1 . 2]" 1
417 1 34 THR HB 1 50 ILE MD . . 7.020 5.839 5.534 5.962 . 0 0 "[ . 1 . 2]" 1
418 1 35 LYS HA 1 50 ILE HB . . 5.000 5.053 4.944 5.100 0.100 2 0 "[ . 1 . 2]" 1
419 1 35 LYS HA 1 50 ILE MD . . 5.320 2.293 2.200 2.408 . 0 0 "[ . 1 . 2]" 1
420 1 35 LYS HB2 1 37 ILE MD . . 6.320 4.200 3.164 4.994 . 0 0 "[ . 1 . 2]" 1
421 1 35 LYS HB3 1 37 ILE MD . . 6.320 3.305 2.773 3.834 . 0 0 "[ . 1 . 2]" 1
422 1 35 LYS HG2 1 37 ILE MD . . 7.020 4.482 2.452 5.503 . 0 0 "[ . 1 . 2]" 1
423 1 35 LYS HG2 1 50 ILE MD . . 7.020 3.913 3.197 4.844 . 0 0 "[ . 1 . 2]" 1
424 1 35 LYS HG3 1 37 ILE MD . . 7.020 4.469 3.621 5.861 . 0 0 "[ . 1 . 2]" 1
425 1 35 LYS HG3 1 50 ILE MD . . 7.020 4.332 3.294 5.395 . 0 0 "[ . 1 . 2]" 1
426 1 35 LYS HD2 1 37 ILE MD . . 6.320 3.737 1.983 6.109 . 0 0 "[ . 1 . 2]" 1
427 1 35 LYS HD3 1 37 ILE MD . . 6.320 4.078 2.366 5.960 . 0 0 "[ . 1 . 2]" 1
428 1 35 LYS QE 1 37 ILE MD . . 9.100 4.236 2.075 5.897 . 0 0 "[ . 1 . 2]" 1
429 1 35 LYS QE 1 50 ILE MD . . 10.000 4.679 3.759 5.607 . 0 0 "[ . 1 . 2]" 1
430 1 36 ILE HA 1 37 ILE HA . . 5.700 4.313 4.249 4.384 . 0 0 "[ . 1 . 2]" 1
431 1 36 ILE HB 1 43 HIS HA . . 5.700 4.513 3.974 4.988 . 0 0 "[ . 1 . 2]" 1
432 1 36 ILE HB 1 43 HIS HB2 . . 5.700 4.125 4.014 4.274 . 0 0 "[ . 1 . 2]" 1
433 1 36 ILE HB 1 43 HIS HB3 . . 5.700 5.760 5.717 5.788 0.088 18 0 "[ . 1 . 2]" 1
434 1 36 ILE HB 1 50 ILE HA . . 5.700 5.765 5.701 5.823 0.123 10 0 "[ . 1 . 2]" 1
435 1 36 ILE HB 1 50 ILE MG . . 6.320 5.777 5.652 5.970 . 0 0 "[ . 1 . 2]" 1
436 1 36 ILE HB 1 50 ILE HG12 . . 5.700 4.062 3.918 4.243 . 0 0 "[ . 1 . 2]" 1
437 1 36 ILE HB 1 50 ILE HG13 . . 5.700 3.701 3.427 3.944 . 0 0 "[ . 1 . 2]" 1
438 1 36 ILE HB 1 50 ILE MD . . 6.320 3.505 3.313 3.829 . 0 0 "[ . 1 . 2]" 1
439 1 36 ILE MG 1 37 ILE HA . . 6.320 4.178 4.015 4.524 . 0 0 "[ . 1 . 2]" 1
440 1 36 ILE MG 1 38 GLU HA . . 6.320 4.213 3.524 4.812 . 0 0 "[ . 1 . 2]" 1
441 1 36 ILE MG 1 42 ALA MB . . 8.340 2.784 2.276 3.325 . 0 0 "[ . 1 . 2]" 1
442 1 36 ILE MG 1 43 HIS HA . . 4.820 2.318 1.973 2.720 . 0 0 "[ . 1 . 2]" 1
443 1 36 ILE MG 1 43 HIS HB2 . . 4.820 1.914 1.825 1.999 . 0 0 "[ . 1 . 2]" 1
444 1 36 ILE MG 1 43 HIS HB3 . . 4.820 3.354 3.164 3.482 . 0 0 "[ . 1 . 2]" 1
445 1 36 ILE MG 1 49 GLN HA . . 6.320 5.456 5.175 5.759 . 0 0 "[ . 1 . 2]" 1
446 1 36 ILE QG 1 49 GLN HA . . 5.000 4.633 4.382 4.772 . 0 0 "[ . 1 . 2]" 1
447 1 36 ILE QG 1 50 ILE HA . . 5.000 3.411 3.281 3.517 . 0 0 "[ . 1 . 2]" 1
448 1 36 ILE MD 1 42 ALA MB . . 6.840 3.776 3.075 4.468 . 0 0 "[ . 1 . 2]" 1
449 1 36 ILE MD 1 43 HIS HA . . 6.320 3.552 3.356 3.693 . 0 0 "[ . 1 . 2]" 1
450 1 36 ILE MD 1 48 LEU HA . . 6.320 4.294 4.081 4.603 . 0 0 "[ . 1 . 2]" 1
451 1 36 ILE MD 1 48 LEU HB2 . . 6.320 3.999 3.635 4.618 . 0 0 "[ . 1 . 2]" 1
452 1 36 ILE MD 1 48 LEU HB3 . . 6.320 2.551 2.168 3.201 . 0 0 "[ . 1 . 2]" 1
453 1 36 ILE MD 1 48 LEU HG . . 6.320 2.755 2.364 4.321 . 0 0 "[ . 1 . 2]" 1
454 1 36 ILE MD 1 49 GLN HA . . 4.820 2.801 2.547 3.065 . 0 0 "[ . 1 . 2]" 1
455 1 36 ILE MD 1 50 ILE HA . . 6.320 3.403 3.166 3.640 . 0 0 "[ . 1 . 2]" 1
456 1 36 ILE MD 1 50 ILE MG . . 8.340 4.569 4.420 4.797 . 0 0 "[ . 1 . 2]" 1
457 1 36 ILE MD 1 50 ILE HG12 . . 6.320 3.352 3.232 3.604 . 0 0 "[ . 1 . 2]" 1
458 1 36 ILE MD 1 50 ILE HG13 . . 6.320 2.603 2.440 2.931 . 0 0 "[ . 1 . 2]" 1
459 1 36 ILE MD 1 50 ILE MD . . 8.340 3.657 3.534 3.957 . 0 0 "[ . 1 . 2]" 1
460 1 37 ILE HA 1 38 GLU HA . . 5.700 4.259 4.170 4.355 . 0 0 "[ . 1 . 2]" 1
461 1 37 ILE HB 1 40 GLY HA2 . . 5.000 4.450 3.954 5.018 0.018 17 0 "[ . 1 . 2]" 1
462 1 37 ILE HB 1 40 GLY HA3 . . 5.000 3.414 2.635 3.936 . 0 0 "[ . 1 . 2]" 1
463 1 37 ILE MG 1 38 GLU HA . . 6.320 4.145 4.054 4.262 . 0 0 "[ . 1 . 2]" 1
464 1 37 ILE MG 1 38 GLU QG . . 10.000 3.473 2.989 3.987 . 0 0 "[ . 1 . 2]" 1
465 1 37 ILE MG 1 40 GLY HA2 . . 6.320 4.353 3.515 5.060 . 0 0 "[ . 1 . 2]" 1
466 1 37 ILE MG 1 40 GLY HA3 . . 6.320 4.000 3.108 4.667 . 0 0 "[ . 1 . 2]" 1
467 1 38 GLU HA 1 39 GLY HA2 . . 5.700 4.365 4.241 4.502 . 0 0 "[ . 1 . 2]" 1
468 1 38 GLU HA 1 39 GLY HA3 . . 5.700 4.369 4.295 4.406 . 0 0 "[ . 1 . 2]" 1
469 1 38 GLU QG 1 39 GLY HA2 . . 8.180 5.439 4.776 6.335 . 0 0 "[ . 1 . 2]" 1
470 1 38 GLU QG 1 39 GLY HA3 . . 8.180 4.540 3.950 5.547 . 0 0 "[ . 1 . 2]" 1
471 1 39 GLY HA2 1 44 LYS QD . . 7.480 4.395 3.334 6.567 . 0 0 "[ . 1 . 2]" 1
472 1 39 GLY HA3 1 44 LYS QD . . 7.480 5.723 4.150 7.507 0.027 6 0 "[ . 1 . 2]" 1
473 1 40 GLY HA2 1 41 ALA MB . . 6.320 4.080 3.949 4.203 . 0 0 "[ . 1 . 2]" 1
474 1 40 GLY HA3 1 41 ALA MB . . 6.320 4.475 4.355 4.665 . 0 0 "[ . 1 . 2]" 1
475 1 41 ALA HA 1 42 ALA HA . . 5.000 4.577 4.495 4.660 . 0 0 "[ . 1 . 2]" 1
476 1 41 ALA HA 1 44 LYS HA . . 5.700 5.580 5.165 5.759 0.059 14 0 "[ . 1 . 2]" 1
477 1 41 ALA HA 1 44 LYS HB2 . . 5.000 3.129 2.627 3.901 . 0 0 "[ . 1 . 2]" 1
478 1 41 ALA HA 1 44 LYS HB3 . . 5.000 4.531 2.347 5.021 0.021 18 0 "[ . 1 . 2]" 1
479 1 41 ALA HA 1 44 LYS HG2 . . 5.000 4.476 3.237 5.073 0.073 6 0 "[ . 1 . 2]" 1
480 1 41 ALA HA 1 44 LYS HG3 . . 5.000 4.405 3.356 5.049 0.049 1 0 "[ . 1 . 2]" 1
481 1 41 ALA HA 1 44 LYS QE . . 8.180 5.617 2.173 7.029 . 0 0 "[ . 1 . 2]" 1
482 1 41 ALA MB 1 42 ALA HA . . 6.320 3.783 3.667 3.922 . 0 0 "[ . 1 . 2]" 1
483 1 41 ALA MB 1 44 LYS QE . . 10.000 6.387 3.326 7.689 . 0 0 "[ . 1 . 2]" 1
484 1 41 ALA MB 1 45 ASP HB2 . . 7.020 3.780 3.047 4.369 . 0 0 "[ . 1 . 2]" 1
485 1 41 ALA MB 1 45 ASP HB3 . . 7.020 3.639 3.011 4.613 . 0 0 "[ . 1 . 2]" 1
486 1 42 ALA HA 1 45 ASP HB2 . . 5.000 4.839 3.607 5.166 0.166 4 0 "[ . 1 . 2]" 1
487 1 42 ALA HA 1 45 ASP HB3 . . 5.000 3.870 3.446 5.104 0.104 10 0 "[ . 1 . 2]" 1
488 1 42 ALA HA 1 48 LEU HB2 . . 5.700 4.647 3.835 5.061 . 0 0 "[ . 1 . 2]" 1
489 1 42 ALA HA 1 48 LEU HB3 . . 5.700 4.717 3.962 5.072 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA MB 1 43 HIS HA . . 6.320 4.066 4.017 4.144 . 0 0 "[ . 1 . 2]" 1
491 1 42 ALA MB 1 43 HIS HB2 . . 7.020 4.337 4.069 4.500 . 0 0 "[ . 1 . 2]" 1
492 1 42 ALA MB 1 43 HIS HB3 . . 7.020 4.933 4.593 5.230 . 0 0 "[ . 1 . 2]" 1
493 1 42 ALA MB 1 48 LEU HG . . 6.320 4.499 3.402 5.076 . 0 0 "[ . 1 . 2]" 1
494 1 43 HIS HA 1 44 LYS HA . . 5.700 4.602 4.445 4.718 . 0 0 "[ . 1 . 2]" 1
495 1 43 HIS HB2 1 44 LYS HA . . 5.700 5.658 5.497 5.728 0.028 16 0 "[ . 1 . 2]" 1
496 1 43 HIS HB3 1 44 LYS HA . . 5.700 4.492 4.069 4.907 . 0 0 "[ . 1 . 2]" 1
497 1 44 LYS HA 1 45 ASP HA . . 5.700 4.742 4.605 4.841 . 0 0 "[ . 1 . 2]" 1
498 1 47 LYS HA 1 47 LYS HD2 . . 5.700 4.483 4.046 5.640 . 0 0 "[ . 1 . 2]" 1
499 1 47 LYS HA 1 47 LYS HD3 . . 5.700 5.093 3.604 5.421 . 0 0 "[ . 1 . 2]" 1
500 1 47 LYS HA 1 47 LYS HE2 . . 5.700 5.537 4.193 5.839 0.139 5 0 "[ . 1 . 2]" 1
501 1 47 LYS HA 1 47 LYS HE3 . . 5.700 4.678 4.244 5.945 0.245 3 0 "[ . 1 . 2]" 1
502 1 47 LYS HB2 1 47 LYS HE2 . . 5.700 4.326 3.882 5.167 . 0 0 "[ . 1 . 2]" 1
503 1 47 LYS HB2 1 47 LYS HE3 . . 5.700 3.899 3.330 5.204 . 0 0 "[ . 1 . 2]" 1
504 1 47 LYS HB3 1 47 LYS HE2 . . 5.700 3.359 2.405 4.411 . 0 0 "[ . 1 . 2]" 1
505 1 47 LYS HB3 1 47 LYS HE3 . . 5.700 2.566 1.974 4.292 . 0 0 "[ . 1 . 2]" 1
506 1 48 LEU HA 1 49 GLN HA . . 5.700 4.421 4.368 4.483 . 0 0 "[ . 1 . 2]" 1
507 1 48 LEU HA 1 49 GLN HB2 . . 5.700 4.480 3.578 4.751 . 0 0 "[ . 1 . 2]" 1
508 1 48 LEU HA 1 49 GLN HB3 . . 5.700 5.597 4.596 5.717 0.017 18 0 "[ . 1 . 2]" 1
509 1 48 LEU HA 1 49 GLN HG2 . . 5.700 5.179 4.681 5.751 0.051 12 0 "[ . 1 . 2]" 1
510 1 48 LEU HA 1 49 GLN HG3 . . 5.700 3.878 3.254 5.834 0.134 5 0 "[ . 1 . 2]" 1
511 1 48 LEU HA 1 85 VAL MG1 . . 6.320 4.598 3.930 5.281 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU HA 1 85 VAL MG2 . . 6.320 4.855 4.276 5.258 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU MD1 1 49 GLN HA . . 7.020 4.790 3.359 5.844 . 0 0 "[ . 1 . 2]" 1
514 1 48 LEU MD2 1 49 GLN HA . . 7.020 5.117 3.340 5.377 . 0 0 "[ . 1 . 2]" 1
515 1 49 GLN HA 1 49 GLN HG2 . . 3.500 2.721 2.394 3.612 0.112 12 0 "[ . 1 . 2]" 1
516 1 49 GLN HA 1 49 GLN HG3 . . 3.500 2.930 2.390 3.577 0.077 5 0 "[ . 1 . 2]" 1
517 1 49 GLN HA 1 50 ILE HB . . 5.700 4.703 4.565 4.792 . 0 0 "[ . 1 . 2]" 1
518 1 49 GLN HA 1 50 ILE MG . . 6.320 5.545 5.479 5.588 . 0 0 "[ . 1 . 2]" 1
519 1 49 GLN HA 1 50 ILE MD . . 6.320 5.246 5.177 5.315 . 0 0 "[ . 1 . 2]" 1
520 1 50 ILE MG 1 51 GLY HA2 . . 6.320 3.576 3.469 3.647 . 0 0 "[ . 1 . 2]" 1
521 1 50 ILE MG 1 51 GLY HA3 . . 6.320 3.660 3.575 3.744 . 0 0 "[ . 1 . 2]" 1
522 1 52 ASP HA 1 53 LYS HB2 . . 5.700 4.581 4.334 4.762 . 0 0 "[ . 1 . 2]" 1
523 1 52 ASP HA 1 53 LYS HB3 . . 5.700 4.246 4.090 4.513 . 0 0 "[ . 1 . 2]" 1
524 1 52 ASP HA 1 85 VAL HB . . 5.700 5.760 5.655 5.815 0.115 1 0 "[ . 1 . 2]" 1
525 1 52 ASP HA 1 85 VAL MG1 . . 6.320 4.791 2.942 5.547 . 0 0 "[ . 1 . 2]" 1
526 1 52 ASP HA 1 85 VAL MG2 . . 6.320 3.418 2.982 4.742 . 0 0 "[ . 1 . 2]" 1
527 1 52 ASP HA 1 87 LYS HE2 . . 5.700 3.976 3.100 5.667 . 0 0 "[ . 1 . 2]" 1
528 1 52 ASP HA 1 87 LYS HE3 . . 5.700 4.549 2.663 5.775 0.075 15 0 "[ . 1 . 2]" 1
529 1 53 LYS HA 1 53 LYS HD2 . . 5.700 4.544 4.307 4.640 . 0 0 "[ . 1 . 2]" 1
530 1 53 LYS HA 1 53 LYS HD3 . . 5.700 4.736 4.687 5.020 . 0 0 "[ . 1 . 2]" 1
531 1 53 LYS HA 1 54 LEU HB2 . . 5.700 4.649 4.488 4.725 . 0 0 "[ . 1 . 2]" 1
532 1 53 LYS HA 1 54 LEU HB3 . . 5.700 5.689 5.618 5.720 0.020 6 0 "[ . 1 . 2]" 1
533 1 53 LYS HA 1 54 LEU HG . . 5.700 4.206 3.754 5.240 . 0 0 "[ . 1 . 2]" 1
534 1 53 LYS HB2 1 53 LYS HE2 . . 5.000 4.548 2.425 4.906 . 0 0 "[ . 1 . 2]" 1
535 1 53 LYS HB2 1 53 LYS HE3 . . 5.000 4.527 3.957 4.723 . 0 0 "[ . 1 . 2]" 1
536 1 53 LYS HB2 1 88 PRO HA . . 5.700 3.428 2.799 5.180 . 0 0 "[ . 1 . 2]" 1
537 1 53 LYS HB3 1 53 LYS HE2 . . 5.000 4.252 2.418 4.694 . 0 0 "[ . 1 . 2]" 1
538 1 53 LYS HB3 1 53 LYS HE3 . . 5.000 4.135 3.485 4.576 . 0 0 "[ . 1 . 2]" 1
539 1 53 LYS HB3 1 88 PRO HA . . 5.700 3.865 3.379 4.775 . 0 0 "[ . 1 . 2]" 1
540 1 53 LYS HG2 1 55 LEU HA . . 5.000 3.697 3.079 3.983 . 0 0 "[ . 1 . 2]" 1
541 1 53 LYS HG3 1 55 LEU HA . . 5.000 4.769 4.182 5.026 0.026 3 0 "[ . 1 . 2]" 1
542 1 53 LYS HE2 1 55 LEU HA . . 5.700 5.105 3.186 5.743 0.043 16 0 "[ . 1 . 2]" 1
543 1 53 LYS HE2 1 86 ALA MB . . 6.320 3.317 2.453 5.018 . 0 0 "[ . 1 . 2]" 1
544 1 53 LYS HE2 1 88 PRO QG . . 8.190 7.022 5.498 8.013 . 0 0 "[ . 1 . 2]" 1
545 1 53 LYS HE3 1 55 LEU HA . . 5.700 4.090 3.285 5.650 . 0 0 "[ . 1 . 2]" 1
546 1 53 LYS HE3 1 86 ALA MB . . 6.320 3.052 2.024 4.809 . 0 0 "[ . 1 . 2]" 1
547 1 53 LYS HE3 1 88 PRO QG . . 8.190 7.520 5.498 8.075 . 0 0 "[ . 1 . 2]" 1
548 1 54 LEU HA 1 55 LEU MD1 . . 7.420 5.683 5.094 5.982 . 0 0 "[ . 1 . 2]" 1
549 1 54 LEU HA 1 55 LEU MD2 . . 7.420 5.765 4.808 5.949 . 0 0 "[ . 1 . 2]" 1
550 1 54 LEU HA 1 84 LYS QB . . 8.180 5.166 4.651 5.493 . 0 0 "[ . 1 . 2]" 1
551 1 54 LEU HA 1 85 VAL HA . . 3.500 2.414 2.216 2.715 . 0 0 "[ . 1 . 2]" 1
552 1 54 LEU HA 1 85 VAL MG1 . . 6.320 4.533 3.708 4.836 . 0 0 "[ . 1 . 2]" 1
553 1 54 LEU HA 1 85 VAL MG2 . . 6.320 3.127 2.629 3.640 . 0 0 "[ . 1 . 2]" 1
554 1 54 LEU HB2 1 85 VAL HA . . 5.700 5.406 5.198 5.701 0.001 17 0 "[ . 1 . 2]" 1
555 1 54 LEU HB3 1 85 VAL HA . . 5.700 4.600 4.267 4.973 . 0 0 "[ . 1 . 2]" 1
556 1 54 LEU HG 1 83 LEU HG . . 5.000 4.827 3.723 5.096 0.096 8 0 "[ . 1 . 2]" 1
557 1 54 LEU HG 1 85 VAL HA . . 5.000 5.081 5.025 5.136 0.136 5 0 "[ . 1 . 2]" 1
558 1 54 LEU MD1 1 57 VAL HB . . 6.320 4.116 3.162 6.152 . 0 0 "[ . 1 . 2]" 1
559 1 54 LEU MD1 1 83 LEU HA . . 7.020 5.654 4.908 7.063 0.043 18 0 "[ . 1 . 2]" 1
560 1 54 LEU MD2 1 57 VAL HB . . 6.320 4.118 3.210 5.033 . 0 0 "[ . 1 . 2]" 1
561 1 54 LEU MD2 1 83 LEU HA . . 7.020 4.536 3.914 5.218 . 0 0 "[ . 1 . 2]" 1
562 1 55 LEU HA 1 63 GLU HB2 . . 5.700 4.951 2.663 5.701 0.001 17 0 "[ . 1 . 2]" 1
563 1 55 LEU HA 1 63 GLU HB3 . . 5.700 5.219 4.383 5.681 . 0 0 "[ . 1 . 2]" 1
564 1 55 LEU HA 1 63 GLU HG2 . . 5.000 2.844 2.317 4.593 . 0 0 "[ . 1 . 2]" 1
565 1 55 LEU HA 1 63 GLU HG3 . . 5.000 3.970 2.149 5.063 0.063 9 0 "[ . 1 . 2]" 1
566 1 55 LEU HB2 1 84 LYS HA . . 5.700 5.535 4.217 5.733 0.033 16 0 "[ . 1 . 2]" 1
567 1 55 LEU HB2 1 84 LYS QE . . 8.180 5.655 4.375 7.602 . 0 0 "[ . 1 . 2]" 1
568 1 55 LEU HB3 1 84 LYS HA . . 5.700 4.838 4.561 5.772 0.072 13 0 "[ . 1 . 2]" 1
569 1 55 LEU HB3 1 84 LYS QE . . 8.180 4.495 3.492 6.183 . 0 0 "[ . 1 . 2]" 1
570 1 55 LEU HG 1 85 VAL HA . . 5.700 5.522 3.150 5.782 0.082 2 0 "[ . 1 . 2]" 1
571 1 55 LEU MD1 1 63 GLU HG2 . . 6.320 4.564 4.052 5.976 . 0 0 "[ . 1 . 2]" 1
572 1 55 LEU MD1 1 63 GLU HG3 . . 6.320 4.461 3.845 5.945 . 0 0 "[ . 1 . 2]" 1
573 1 55 LEU MD1 1 84 LYS QB . . 9.100 3.810 3.035 4.274 . 0 0 "[ . 1 . 2]" 1
574 1 55 LEU MD1 1 84 LYS QE . . 9.100 3.738 1.919 5.470 . 0 0 "[ . 1 . 2]" 1
575 1 55 LEU MD1 1 85 VAL HA . . 7.020 4.547 3.904 4.727 . 0 0 "[ . 1 . 2]" 1
576 1 55 LEU MD1 1 86 ALA MB . . 6.840 1.949 1.805 2.165 . 0 0 "[ . 1 . 2]" 1
577 1 55 LEU MD2 1 63 GLU HG2 . . 6.320 2.560 2.162 4.362 . 0 0 "[ . 1 . 2]" 1
578 1 55 LEU MD2 1 63 GLU HG3 . . 6.320 2.942 2.644 4.440 . 0 0 "[ . 1 . 2]" 1
579 1 55 LEU MD2 1 84 LYS QB . . 9.100 3.708 2.971 4.990 . 0 0 "[ . 1 . 2]" 1
580 1 55 LEU MD2 1 84 LYS QE . . 9.100 3.761 2.521 5.540 . 0 0 "[ . 1 . 2]" 1
581 1 55 LEU MD2 1 85 VAL HA . . 7.020 5.502 4.609 5.778 . 0 0 "[ . 1 . 2]" 1
582 1 55 LEU MD2 1 86 ALA MB . . 6.840 4.003 2.161 4.504 . 0 0 "[ . 1 . 2]" 1
583 1 56 ALA HA 1 57 VAL MG1 . . 6.320 3.897 3.800 3.997 . 0 0 "[ . 1 . 2]" 1
584 1 56 ALA HA 1 57 VAL MG2 . . 6.320 5.510 5.446 5.544 . 0 0 "[ . 1 . 2]" 1
585 1 56 ALA HA 1 60 VAL HB . . 5.000 4.776 4.682 4.900 . 0 0 "[ . 1 . 2]" 1
586 1 56 ALA HA 1 61 CYS HA . . 5.000 2.861 2.431 3.072 . 0 0 "[ . 1 . 2]" 1
587 1 56 ALA HA 1 62 LEU HA . . 5.700 4.347 4.197 4.580 . 0 0 "[ . 1 . 2]" 1
588 1 56 ALA HA 1 62 LEU HB2 . . 5.000 2.494 2.252 2.746 . 0 0 "[ . 1 . 2]" 1
589 1 56 ALA HA 1 62 LEU HB3 . . 5.000 4.214 3.999 4.470 . 0 0 "[ . 1 . 2]" 1
590 1 56 ALA HA 1 62 LEU HG . . 5.000 4.706 4.525 4.908 . 0 0 "[ . 1 . 2]" 1
591 1 56 ALA MB 1 57 VAL HA . . 6.320 3.782 3.723 3.817 . 0 0 "[ . 1 . 2]" 1
592 1 56 ALA MB 1 57 VAL HB . . 6.320 4.908 4.798 4.968 . 0 0 "[ . 1 . 2]" 1
593 1 56 ALA MB 1 59 ASN QB . . 10.000 4.301 3.630 5.696 . 0 0 "[ . 1 . 2]" 1
594 1 56 ALA MB 1 61 CYS HA . . 4.820 2.327 2.114 2.499 . 0 0 "[ . 1 . 2]" 1
595 1 56 ALA MB 1 84 LYS QB . . 7.400 1.997 1.878 2.154 . 0 0 "[ . 1 . 2]" 1
596 1 56 ALA MB 1 84 LYS QD . . 9.100 2.430 1.882 4.184 . 0 0 "[ . 1 . 2]" 1
597 1 56 ALA MB 1 84 LYS QE . . 9.100 3.132 2.211 3.905 . 0 0 "[ . 1 . 2]" 1
598 1 57 VAL HA 1 58 ASN HA . . 5.700 4.232 4.113 4.345 . 0 0 "[ . 1 . 2]" 1
599 1 57 VAL HA 1 73 ALA MB . . 7.020 5.677 5.278 6.097 . 0 0 "[ . 1 . 2]" 1
600 1 57 VAL HA 1 83 LEU HA . . 3.500 2.408 2.056 2.650 . 0 0 "[ . 1 . 2]" 1
601 1 57 VAL HA 1 83 LEU HG . . 5.000 4.186 3.629 4.761 . 0 0 "[ . 1 . 2]" 1
602 1 57 VAL HB 1 60 VAL MG1 . . 7.020 6.258 5.875 6.422 . 0 0 "[ . 1 . 2]" 1
603 1 57 VAL HB 1 60 VAL MG2 . . 7.020 6.018 5.828 6.308 . 0 0 "[ . 1 . 2]" 1
604 1 57 VAL HB 1 73 ALA MB . . 6.320 4.521 4.386 4.762 . 0 0 "[ . 1 . 2]" 1
605 1 57 VAL HB 1 83 LEU HA . . 5.000 3.744 3.382 4.167 . 0 0 "[ . 1 . 2]" 1
606 1 57 VAL MG1 1 74 LEU HA . . 6.320 2.669 2.351 3.214 . 0 0 "[ . 1 . 2]" 1
607 1 57 VAL MG1 1 77 THR MG . . 6.840 3.833 3.447 4.280 . 0 0 "[ . 1 . 2]" 1
608 1 57 VAL MG2 1 74 LEU HA . . 6.320 2.478 2.114 3.129 . 0 0 "[ . 1 . 2]" 1
609 1 57 VAL MG2 1 77 THR MG . . 6.840 2.823 2.331 3.529 . 0 0 "[ . 1 . 2]" 1
610 1 58 ASN HA 1 82 TYR HA . . 5.700 4.831 4.604 5.063 . 0 0 "[ . 1 . 2]" 1
611 1 58 ASN HA 1 82 TYR HB2 . . 3.500 2.884 1.932 3.603 0.103 11 0 "[ . 1 . 2]" 1
612 1 58 ASN HA 1 82 TYR HB3 . . 3.500 2.884 1.919 3.592 0.092 15 0 "[ . 1 . 2]" 1
613 1 60 VAL HA 1 73 ALA MB . . 7.020 5.527 4.708 6.344 . 0 0 "[ . 1 . 2]" 1
614 1 60 VAL HB 1 73 ALA MB . . 6.320 3.071 2.363 3.959 . 0 0 "[ . 1 . 2]" 1
615 1 62 LEU HA 1 70 ALA HA . . 5.700 4.507 3.919 4.798 . 0 0 "[ . 1 . 2]" 1
616 1 62 LEU HA 1 70 ALA MB . . 7.020 3.975 3.546 4.385 . 0 0 "[ . 1 . 2]" 1
617 1 62 LEU HA 1 73 ALA MB . . 6.320 5.028 4.656 5.386 . 0 0 "[ . 1 . 2]" 1
618 1 62 LEU HG 1 70 ALA MB . . 6.320 2.405 2.077 2.866 . 0 0 "[ . 1 . 2]" 1
619 1 62 LEU HG 1 73 ALA MB . . 6.320 3.777 3.534 4.107 . 0 0 "[ . 1 . 2]" 1
620 1 62 LEU MD1 1 70 ALA HA . . 6.320 3.124 2.490 3.636 . 0 0 "[ . 1 . 2]" 1
621 1 62 LEU MD2 1 70 ALA HA . . 6.320 3.631 2.816 4.179 . 0 0 "[ . 1 . 2]" 1
622 1 65 VAL HA 1 66 THR MG . . 6.320 4.793 3.651 5.440 . 0 0 "[ . 1 . 2]" 1
623 1 65 VAL HB 1 66 THR HA . . 5.700 4.710 4.607 4.790 . 0 0 "[ . 1 . 2]" 1
624 1 65 VAL HB 1 69 GLU HA . . 5.700 5.575 5.278 5.755 0.055 10 0 "[ . 1 . 2]" 1
625 1 65 VAL HB 1 70 ALA MB . . 7.020 3.901 2.980 4.605 . 0 0 "[ . 1 . 2]" 1
626 1 65 VAL MG1 1 69 GLU HB2 . . 6.320 4.859 3.528 5.678 . 0 0 "[ . 1 . 2]" 1
627 1 65 VAL MG1 1 69 GLU HB3 . . 6.320 4.375 3.674 4.694 . 0 0 "[ . 1 . 2]" 1
628 1 65 VAL MG1 1 69 GLU HG2 . . 6.320 4.174 3.233 5.518 . 0 0 "[ . 1 . 2]" 1
629 1 65 VAL MG1 1 69 GLU HG3 . . 6.320 5.124 4.533 5.992 . 0 0 "[ . 1 . 2]" 1
630 1 65 VAL MG2 1 69 GLU HB2 . . 6.320 4.258 2.627 5.640 . 0 0 "[ . 1 . 2]" 1
631 1 65 VAL MG2 1 69 GLU HB3 . . 6.320 3.759 3.288 4.338 . 0 0 "[ . 1 . 2]" 1
632 1 65 VAL MG2 1 69 GLU HG2 . . 6.320 4.260 3.349 5.624 . 0 0 "[ . 1 . 2]" 1
633 1 65 VAL MG2 1 69 GLU HG3 . . 6.320 5.162 4.620 5.786 . 0 0 "[ . 1 . 2]" 1
634 1 66 THR HB 1 67 HIS HA . . 5.700 5.038 4.933 5.213 . 0 0 "[ . 1 . 2]" 1
635 1 66 THR HB 1 68 GLU HB2 . . 5.700 4.629 3.046 5.415 . 0 0 "[ . 1 . 2]" 1
636 1 66 THR HB 1 68 GLU HB3 . . 5.700 3.963 3.463 5.174 . 0 0 "[ . 1 . 2]" 1
637 1 66 THR MG 1 68 GLU HB2 . . 7.020 4.528 3.321 6.468 . 0 0 "[ . 1 . 2]" 1
638 1 66 THR MG 1 68 GLU HB3 . . 7.020 4.250 3.174 5.843 . 0 0 "[ . 1 . 2]" 1
639 1 67 HIS HA 1 70 ALA MB . . 4.820 2.573 2.251 2.795 . 0 0 "[ . 1 . 2]" 1
640 1 67 HIS HB2 1 70 ALA MB . . 7.020 4.649 4.205 4.969 . 0 0 "[ . 1 . 2]" 1
641 1 67 HIS HB3 1 70 ALA MB . . 7.020 4.989 4.642 5.223 . 0 0 "[ . 1 . 2]" 1
642 1 68 GLU HA 1 71 VAL HA . . 5.700 5.604 5.205 5.773 0.073 6 0 "[ . 1 . 2]" 1
643 1 68 GLU HA 1 71 VAL HB . . 3.500 3.167 2.639 3.367 . 0 0 "[ . 1 . 2]" 1
644 1 68 GLU HA 1 71 VAL MG1 . . 6.320 4.486 4.101 4.694 . 0 0 "[ . 1 . 2]" 1
645 1 68 GLU HA 1 71 VAL MG2 . . 6.320 3.025 2.288 3.568 . 0 0 "[ . 1 . 2]" 1
646 1 68 GLU HA 1 72 THR HB . . 5.700 5.330 4.732 5.735 0.035 10 0 "[ . 1 . 2]" 1
647 1 68 GLU HG2 1 71 VAL MG1 . . 7.020 6.584 5.551 7.109 0.089 6 0 "[ . 1 . 2]" 1
648 1 68 GLU HG2 1 71 VAL MG2 . . 7.020 5.813 4.763 6.766 . 0 0 "[ . 1 . 2]" 1
649 1 68 GLU HG3 1 71 VAL MG1 . . 7.020 5.819 4.823 7.087 0.067 16 0 "[ . 1 . 2]" 1
650 1 68 GLU HG3 1 71 VAL MG2 . . 7.020 5.122 4.028 6.194 . 0 0 "[ . 1 . 2]" 1
651 1 69 GLU HA 1 69 GLU HG2 . . 4.000 3.242 2.629 3.656 . 0 0 "[ . 1 . 2]" 1
652 1 69 GLU HA 1 69 GLU HG3 . . 4.000 2.801 2.455 3.621 . 0 0 "[ . 1 . 2]" 1
653 1 69 GLU HA 1 72 THR HB . . 3.500 2.824 2.249 3.083 . 0 0 "[ . 1 . 2]" 1
654 1 69 GLU HA 1 72 THR MG . . 6.320 4.072 3.528 4.268 . 0 0 "[ . 1 . 2]" 1
655 1 69 GLU HB2 1 72 THR HB . . 5.700 5.366 5.039 5.724 0.024 9 0 "[ . 1 . 2]" 1
656 1 69 GLU HB3 1 72 THR HB . . 5.700 5.259 4.052 5.742 0.042 16 0 "[ . 1 . 2]" 1
657 1 69 GLU HG2 1 72 THR HB . . 5.700 5.440 4.934 5.789 0.089 14 0 "[ . 1 . 2]" 1
658 1 69 GLU HG3 1 72 THR HB . . 5.700 5.109 4.535 5.768 0.068 5 0 "[ . 1 . 2]" 1
659 1 70 ALA HA 1 73 ALA HA . . 5.700 5.400 5.089 5.685 . 0 0 "[ . 1 . 2]" 1
660 1 70 ALA HA 1 73 ALA MB . . 4.820 2.744 2.430 2.959 . 0 0 "[ . 1 . 2]" 1
661 1 70 ALA MB 1 71 VAL HA . . 6.320 3.728 3.642 3.842 . 0 0 "[ . 1 . 2]" 1
662 1 71 VAL H 1 72 THR HB . . 5.000 4.845 4.657 4.980 . 0 0 "[ . 1 . 2]" 1
663 1 71 VAL HA 1 74 LEU HB2 . . 5.000 3.113 2.841 3.768 . 0 0 "[ . 1 . 2]" 1
664 1 71 VAL HA 1 74 LEU HB3 . . 5.000 4.683 2.596 5.002 0.002 8 0 "[ . 1 . 2]" 1
665 1 71 VAL HA 1 74 LEU HG . . 5.000 5.040 4.521 5.122 0.122 15 0 "[ . 1 . 2]" 1
666 1 71 VAL HA 1 74 LEU MD1 . . 7.020 2.543 2.299 5.212 . 0 0 "[ . 1 . 2]" 1
667 1 71 VAL HA 1 74 LEU MD2 . . 7.020 4.200 3.380 4.502 . 0 0 "[ . 1 . 2]" 1
668 1 71 VAL HA 1 75 LYS HG2 . . 5.700 5.247 4.042 5.468 . 0 0 "[ . 1 . 2]" 1
669 1 71 VAL HA 1 75 LYS HG3 . . 5.700 4.013 3.792 5.416 . 0 0 "[ . 1 . 2]" 1
670 1 71 VAL HB 1 72 THR HA . . 5.700 4.088 3.916 4.368 . 0 0 "[ . 1 . 2]" 1
671 1 71 VAL HB 1 72 THR HB . . 5.700 4.867 4.431 5.210 . 0 0 "[ . 1 . 2]" 1
672 1 71 VAL HB 1 72 THR MG . . 7.020 5.355 5.176 5.620 . 0 0 "[ . 1 . 2]" 1
673 1 71 VAL HB 1 75 LYS HG2 . . 5.700 5.726 4.467 5.820 0.120 6 0 "[ . 1 . 2]" 1
674 1 71 VAL HB 1 75 LYS HG3 . . 5.700 4.269 4.190 4.895 . 0 0 "[ . 1 . 2]" 1
675 1 71 VAL HB 1 75 LYS HE2 . . 5.000 4.169 3.942 4.853 . 0 0 "[ . 1 . 2]" 1
676 1 71 VAL HB 1 75 LYS HE3 . . 5.000 5.047 5.019 5.074 0.074 14 0 "[ . 1 . 2]" 1
677 1 71 VAL MG1 1 75 LYS HG2 . . 6.320 3.258 2.249 3.419 . 0 0 "[ . 1 . 2]" 1
678 1 71 VAL MG1 1 75 LYS HG3 . . 6.320 2.191 2.063 2.818 . 0 0 "[ . 1 . 2]" 1
679 1 71 VAL MG2 1 75 LYS HG2 . . 6.320 5.844 4.821 6.083 . 0 0 "[ . 1 . 2]" 1
680 1 71 VAL MG2 1 75 LYS HG3 . . 6.320 4.875 4.693 5.547 . 0 0 "[ . 1 . 2]" 1
681 1 72 THR HA 1 75 LYS HA . . 5.000 5.003 4.765 5.082 0.082 14 0 "[ . 1 . 2]" 1
682 1 72 THR HA 1 75 LYS QB . . 5.780 2.277 2.142 2.362 . 0 0 "[ . 1 . 2]" 1
683 1 72 THR HA 1 75 LYS HG2 . . 5.700 4.581 2.811 4.809 . 0 0 "[ . 1 . 2]" 1
684 1 72 THR HA 1 75 LYS HG3 . . 5.700 3.177 2.660 3.374 . 0 0 "[ . 1 . 2]" 1
685 1 72 THR HA 1 75 LYS HD2 . . 5.000 3.377 2.994 4.941 . 0 0 "[ . 1 . 2]" 1
686 1 72 THR HA 1 75 LYS HD3 . . 5.000 4.628 4.357 5.033 0.033 18 0 "[ . 1 . 2]" 1
687 1 72 THR HA 1 75 LYS HE2 . . 5.700 4.957 4.565 5.164 . 0 0 "[ . 1 . 2]" 1
688 1 72 THR HA 1 75 LYS HE3 . . 5.700 5.486 4.861 5.723 0.023 14 0 "[ . 1 . 2]" 1
689 1 72 THR HB 1 73 ALA MB . . 6.320 4.231 4.048 4.532 . 0 0 "[ . 1 . 2]" 1
690 1 72 THR MG 1 73 ALA HA . . 6.320 3.653 3.532 3.846 . 0 0 "[ . 1 . 2]" 1
691 1 72 THR MG 1 75 LYS QB . . 9.100 3.483 3.186 3.667 . 0 0 "[ . 1 . 2]" 1
692 1 72 THR MG 1 76 ASN HA . . 7.020 5.135 4.822 5.421 . 0 0 "[ . 1 . 2]" 1
693 1 72 THR MG 1 76 ASN HB2 . . 6.320 4.039 3.704 4.599 . 0 0 "[ . 1 . 2]" 1
694 1 72 THR MG 1 76 ASN HB3 . . 6.320 4.992 4.835 5.290 . 0 0 "[ . 1 . 2]" 1
695 1 73 ALA HA 1 76 ASN HB2 . . 5.000 3.000 2.709 3.369 . 0 0 "[ . 1 . 2]" 1
696 1 73 ALA HA 1 76 ASN HB3 . . 5.000 4.624 4.340 5.011 0.011 14 0 "[ . 1 . 2]" 1
697 1 73 ALA MB 1 74 LEU HA . . 6.320 3.935 3.880 3.978 . 0 0 "[ . 1 . 2]" 1
698 1 73 ALA MB 1 74 LEU HG . . 6.320 4.149 3.797 5.821 . 0 0 "[ . 1 . 2]" 1
699 1 73 ALA MB 1 76 ASN HB2 . . 7.020 4.462 4.121 4.857 . 0 0 "[ . 1 . 2]" 1
700 1 73 ALA MB 1 76 ASN HB3 . . 7.020 5.751 5.419 6.160 . 0 0 "[ . 1 . 2]" 1
701 1 74 LEU HA 1 74 LEU HG . . 4.000 2.513 2.417 3.064 . 0 0 "[ . 1 . 2]" 1
702 1 74 LEU HA 1 77 THR HB . . 5.700 5.470 5.146 5.714 0.014 15 0 "[ . 1 . 2]" 1
703 1 74 LEU HA 1 77 THR MG . . 4.820 2.828 2.394 3.632 . 0 0 "[ . 1 . 2]" 1
704 1 75 LYS HA 1 75 LYS HG2 . . 3.500 2.309 2.224 2.842 . 0 0 "[ . 1 . 2]" 1
705 1 75 LYS HA 1 75 LYS HG3 . . 3.500 3.103 3.026 3.646 0.146 18 0 "[ . 1 . 2]" 1
706 1 75 LYS HA 1 75 LYS HD2 . . 5.000 4.517 3.135 4.608 . 0 0 "[ . 1 . 2]" 1
707 1 75 LYS HA 1 75 LYS HD3 . . 5.000 3.945 1.980 4.110 . 0 0 "[ . 1 . 2]" 1
708 1 75 LYS HA 1 75 LYS HE2 . . 5.700 4.926 4.018 5.088 . 0 0 "[ . 1 . 2]" 1
709 1 75 LYS HA 1 75 LYS HE3 . . 5.700 5.736 4.709 5.811 0.111 19 0 "[ . 1 . 2]" 1
710 1 75 LYS HA 1 76 ASN HA . . 5.700 4.668 4.579 4.785 . 0 0 "[ . 1 . 2]" 1
711 1 75 LYS HA 1 77 THR MG . . 6.320 4.547 4.243 5.475 . 0 0 "[ . 1 . 2]" 1
712 1 75 LYS QB 1 76 ASN HA . . 8.180 4.070 3.885 4.158 . 0 0 "[ . 1 . 2]" 1
713 1 75 LYS HE2 1 75 LYS HG2 . . 4.000 2.742 2.446 2.872 . 0 0 "[ . 1 . 2]" 1
714 1 75 LYS HE3 1 75 LYS HG2 . . 4.000 3.591 2.959 3.652 . 0 0 "[ . 1 . 2]" 1
715 1 75 LYS HE2 1 75 LYS HG3 . . 4.000 2.533 2.444 3.120 . 0 0 "[ . 1 . 2]" 1
716 1 75 LYS HE3 1 75 LYS HG3 . . 4.000 3.601 2.525 3.690 . 0 0 "[ . 1 . 2]" 1
717 1 76 ASN HA 1 77 THR HA . . 5.700 4.356 4.271 4.486 . 0 0 "[ . 1 . 2]" 1
718 1 76 ASN HA 1 77 THR MG . . 6.320 4.516 4.341 4.767 . 0 0 "[ . 1 . 2]" 1
719 1 77 THR HA 1 78 SER QB . . 7.480 4.367 3.952 4.471 . 0 0 "[ . 1 . 2]" 1
720 1 77 THR HB 1 80 PHE HA . . 5.700 5.694 5.459 5.772 0.072 9 0 "[ . 1 . 2]" 1
721 1 77 THR HB 1 81 VAL HB . . 5.000 4.958 4.821 5.029 0.029 20 0 "[ . 1 . 2]" 1
722 1 77 THR HB 1 81 VAL MG1 . . 4.820 3.754 3.500 4.248 . 0 0 "[ . 1 . 2]" 1
723 1 77 THR HB 1 81 VAL MG2 . . 4.820 1.971 1.877 2.160 . 0 0 "[ . 1 . 2]" 1
724 1 77 THR MG 1 78 SER QB . . 9.100 5.570 5.293 5.706 . 0 0 "[ . 1 . 2]" 1
725 1 77 THR MG 1 81 VAL HA . . 4.820 3.088 2.376 3.473 . 0 0 "[ . 1 . 2]" 1
726 1 77 THR MG 1 81 VAL HB . . 6.320 4.270 4.017 4.813 . 0 0 "[ . 1 . 2]" 1
727 1 77 THR MG 1 81 VAL MG1 . . 8.340 2.234 2.017 3.111 . 0 0 "[ . 1 . 2]" 1
728 1 77 THR MG 1 81 VAL MG2 . . 8.340 2.201 2.055 2.460 . 0 0 "[ . 1 . 2]" 1
729 1 78 SER HA 1 79 ASP HA . . 5.000 4.072 3.945 4.327 . 0 0 "[ . 1 . 2]" 1
730 1 78 SER HA 1 79 ASP QB . . 8.180 4.212 3.997 4.522 . 0 0 "[ . 1 . 2]" 1
731 1 78 SER QB 1 79 ASP HA . . 7.480 4.935 4.674 5.370 . 0 0 "[ . 1 . 2]" 1
732 1 78 SER QB 1 79 ASP QB . . 9.960 3.749 3.297 4.263 . 0 0 "[ . 1 . 2]" 1
733 1 79 ASP HA 1 80 PHE HA . . 5.700 4.288 4.050 4.450 . 0 0 "[ . 1 . 2]" 1
734 1 79 ASP QB 1 80 PHE HA . . 7.480 4.703 4.511 4.879 . 0 0 "[ . 1 . 2]" 1
735 1 79 ASP QB 1 80 PHE HB2 . . 7.480 4.019 3.618 4.293 . 0 0 "[ . 1 . 2]" 1
736 1 79 ASP QB 1 80 PHE HB3 . . 7.480 4.727 4.238 5.065 . 0 0 "[ . 1 . 2]" 1
737 1 80 PHE HA 1 81 VAL HA . . 5.700 4.461 4.391 4.513 . 0 0 "[ . 1 . 2]" 1
738 1 80 PHE HA 1 81 VAL HB . . 5.000 4.630 4.467 4.715 . 0 0 "[ . 1 . 2]" 1
739 1 81 VAL HA 1 82 TYR HA . . 5.700 4.461 4.404 4.509 . 0 0 "[ . 1 . 2]" 1
740 1 81 VAL HB 1 82 TYR HA . . 5.000 4.477 4.223 4.812 . 0 0 "[ . 1 . 2]" 1
741 1 83 LEU HG 1 84 LYS QE . . 8.180 7.936 7.160 8.293 0.113 4 0 "[ . 1 . 2]" 1
742 1 84 LYS HA 1 84 LYS HG2 . . 3.500 2.979 2.490 3.696 0.196 3 0 "[ . 1 . 2]" 1
743 1 84 LYS HA 1 84 LYS HG3 . . 3.500 2.704 2.517 3.130 . 0 0 "[ . 1 . 2]" 1
744 1 84 LYS HA 1 85 VAL MG1 . . 6.320 3.948 3.385 5.512 . 0 0 "[ . 1 . 2]" 1
745 1 84 LYS HA 1 85 VAL MG2 . . 6.320 5.130 3.849 5.561 . 0 0 "[ . 1 . 2]" 1
746 1 85 VAL HA 1 86 ALA HA . . 5.000 4.445 4.391 4.495 . 0 0 "[ . 1 . 2]" 1
747 1 85 VAL HA 1 86 ALA MB . . 6.320 3.905 3.840 4.030 . 0 0 "[ . 1 . 2]" 1
748 1 85 VAL HB 1 86 ALA HA . . 5.700 5.510 4.652 5.731 0.031 20 0 "[ . 1 . 2]" 1
749 1 85 VAL HB 1 86 ALA MB . . 7.020 5.559 5.284 5.634 . 0 0 "[ . 1 . 2]" 1
750 1 85 VAL MG1 1 86 ALA HA . . 6.320 3.840 3.084 4.234 . 0 0 "[ . 1 . 2]" 1
751 1 85 VAL MG1 1 87 LYS QD . . 9.100 4.803 2.946 6.300 . 0 0 "[ . 1 . 2]" 1
752 1 85 VAL MG1 1 87 LYS HE2 . . 6.320 4.593 2.903 6.265 . 0 0 "[ . 1 . 2]" 1
753 1 85 VAL MG1 1 87 LYS HE3 . . 6.320 4.357 2.604 6.339 0.019 1 0 "[ . 1 . 2]" 1
754 1 85 VAL MG2 1 86 ALA HA . . 6.320 3.771 3.182 5.466 . 0 0 "[ . 1 . 2]" 1
755 1 85 VAL MG2 1 87 LYS QD . . 9.100 4.578 2.960 6.477 . 0 0 "[ . 1 . 2]" 1
756 1 85 VAL MG2 1 87 LYS HE2 . . 6.320 4.108 2.063 5.846 . 0 0 "[ . 1 . 2]" 1
757 1 85 VAL MG2 1 87 LYS HE3 . . 6.320 4.154 2.840 6.409 0.089 3 0 "[ . 1 . 2]" 1
758 1 86 ALA MB 1 87 LYS QG . . 9.100 4.772 4.178 5.475 . 0 0 "[ . 1 . 2]" 1
759 1 86 ALA MB 1 88 PRO HA . . 7.020 5.048 4.656 5.392 . 0 0 "[ . 1 . 2]" 1
760 1 86 ALA MB 1 88 PRO QG . . 10.010 6.369 6.034 6.584 . 0 0 "[ . 1 . 2]" 1
761 1 86 ALA MB 1 88 PRO HD2 . . 7.420 5.879 5.696 6.229 . 0 0 "[ . 1 . 2]" 1
762 1 86 ALA MB 1 88 PRO HD3 . . 7.420 5.613 5.283 5.965 . 0 0 "[ . 1 . 2]" 1
763 1 87 LYS HA 1 87 LYS HE2 . . 5.700 3.009 1.840 4.948 . 0 0 "[ . 1 . 2]" 1
764 1 87 LYS HA 1 87 LYS HE3 . . 5.700 3.728 1.973 5.797 0.097 15 0 "[ . 1 . 2]" 1
765 1 87 LYS HA 1 88 PRO HB2 . . 5.700 5.490 4.850 5.721 0.021 14 0 "[ . 1 . 2]" 1
766 1 87 LYS HA 1 88 PRO HB3 . . 5.000 5.052 4.675 5.236 0.236 18 0 "[ . 1 . 2]" 1
767 1 87 LYS HA 1 88 PRO HD2 . . 3.500 2.376 2.043 3.246 . 0 0 "[ . 1 . 2]" 1
768 1 87 LYS HA 1 88 PRO HD3 . . 3.500 2.457 1.931 2.702 . 0 0 "[ . 1 . 2]" 1
769 1 87 LYS HB2 1 88 PRO HD2 . . 5.000 3.694 3.321 3.900 . 0 0 "[ . 1 . 2]" 1
770 1 87 LYS HB2 1 88 PRO HD3 . . 5.000 4.803 3.883 5.027 0.027 7 0 "[ . 1 . 2]" 1
771 1 87 LYS HB3 1 88 PRO HD2 . . 5.000 2.201 1.967 2.473 . 0 0 "[ . 1 . 2]" 1
772 1 87 LYS HB3 1 88 PRO HD3 . . 5.000 3.606 2.465 3.951 . 0 0 "[ . 1 . 2]" 1
773 1 87 LYS QG 1 88 PRO HA . . 7.480 6.151 5.627 6.437 . 0 0 "[ . 1 . 2]" 1
774 1 87 LYS QG 1 88 PRO HD2 . . 5.780 3.481 2.049 4.353 . 0 0 "[ . 1 . 2]" 1
775 1 87 LYS QG 1 88 PRO HD3 . . 5.780 4.397 3.010 5.401 . 0 0 "[ . 1 . 2]" 1
776 1 87 LYS QD 1 88 PRO HA . . 8.180 6.495 5.422 6.970 . 0 0 "[ . 1 . 2]" 1
777 1 87 LYS QD 1 88 PRO HD2 . . 7.480 3.591 2.085 4.957 . 0 0 "[ . 1 . 2]" 1
778 1 87 LYS QD 1 88 PRO HD3 . . 7.480 4.464 2.808 5.588 . 0 0 "[ . 1 . 2]" 1
779 1 88 PRO HA 1 89 THR HA . . 5.000 4.353 4.178 4.546 . 0 0 "[ . 1 . 2]" 1
780 1 88 PRO HA 1 89 THR MG . . 6.320 5.105 3.972 5.684 . 0 0 "[ . 1 . 2]" 1
781 1 88 PRO HB2 1 89 THR HA . . 6.100 4.835 4.622 5.098 . 0 0 "[ . 1 . 2]" 1
782 1 88 PRO HB3 1 89 THR HA . . 6.100 5.756 5.373 6.053 . 0 0 "[ . 1 . 2]" 1
783 1 88 PRO QG 1 89 THR HA . . 8.290 5.567 4.798 6.268 . 0 0 "[ . 1 . 2]" 1
784 1 88 PRO HD2 1 93 HIS HA . . 5.000 3.662 2.575 5.087 0.087 20 0 "[ . 1 . 2]" 1
785 1 88 PRO HD3 1 93 HIS HA . . 5.000 4.727 3.931 5.059 0.059 10 0 "[ . 1 . 2]" 1
786 1 89 THR HA 1 90 GLY HA2 . . 5.000 4.432 4.177 4.670 . 0 0 "[ . 1 . 2]" 1
787 1 89 THR HA 1 90 GLY HA3 . . 5.000 4.881 4.055 5.162 0.162 14 0 "[ . 1 . 2]" 1
788 1 89 THR MG 1 90 GLY HA2 . . 7.020 4.367 3.729 5.477 . 0 0 "[ . 1 . 2]" 1
789 1 89 THR MG 1 90 GLY HA3 . . 7.020 4.819 3.636 5.870 . 0 0 "[ . 1 . 2]" 1
790 1 2 GLU HG2 1 82 TYR QD . . 7.830 5.522 4.345 6.314 . 0 0 "[ . 1 . 2]" 1
791 1 2 GLU HG3 1 82 TYR QD . . 7.830 4.566 3.259 5.480 . 0 0 "[ . 1 . 2]" 1
792 1 4 LYS HA 1 80 PHE QE . . 7.830 5.356 4.044 6.451 . 0 0 "[ . 1 . 2]" 1
793 1 4 LYS HA 1 82 TYR QE . . 7.830 5.047 4.136 6.392 . 0 0 "[ . 1 . 2]" 1
794 1 4 LYS HA 1 82 TYR QD . . 7.830 3.837 2.993 5.017 . 0 0 "[ . 1 . 2]" 1
795 1 4 LYS HB2 1 82 TYR QE . . 7.830 3.981 2.506 6.999 . 0 0 "[ . 1 . 2]" 1
796 1 4 LYS HB3 1 82 TYR QE . . 7.830 5.111 3.825 7.641 . 0 0 "[ . 1 . 2]" 1
797 1 4 LYS HG2 1 82 TYR QD . . 7.830 4.720 2.496 5.984 . 0 0 "[ . 1 . 2]" 1
798 1 4 LYS HG3 1 82 TYR QD . . 7.830 4.130 3.186 4.838 . 0 0 "[ . 1 . 2]" 1
799 1 4 LYS QD 1 80 PHE HZ . . 8.180 3.223 2.238 4.466 . 0 0 "[ . 1 . 2]" 1
800 1 4 LYS QD 1 80 PHE QE . . 10.320 2.571 2.079 3.904 . 0 0 "[ . 1 . 2]" 1
801 1 4 LYS QD 1 80 PHE QD . . 10.310 3.842 2.932 5.313 . 0 0 "[ . 1 . 2]" 1
802 1 4 LYS QD 1 82 TYR QE . . 10.320 4.221 2.138 7.306 . 0 0 "[ . 1 . 2]" 1
803 1 4 LYS QD 1 82 TYR QD . . 10.310 4.393 3.233 5.981 . 0 0 "[ . 1 . 2]" 1
804 1 4 LYS HE2 1 80 PHE HZ . . 5.700 4.853 2.610 5.757 0.057 6 0 "[ . 1 . 2]" 1
805 1 4 LYS HE2 1 80 PHE QE . . 7.830 4.507 2.331 5.514 . 0 0 "[ . 1 . 2]" 1
806 1 4 LYS HE2 1 82 TYR QE . . 7.830 5.066 2.798 7.865 0.035 1 0 "[ . 1 . 2]" 1
807 1 4 LYS HE3 1 80 PHE HZ . . 5.700 4.970 2.296 5.731 0.031 1 0 "[ . 1 . 2]" 1
808 1 4 LYS HE3 1 80 PHE QE . . 7.830 4.355 3.009 5.604 . 0 0 "[ . 1 . 2]" 1
809 1 4 LYS HE3 1 82 TYR QE . . 7.830 5.519 2.505 7.886 0.056 7 0 "[ . 1 . 2]" 1
810 1 6 ILE HA 1 80 PHE QE . . 7.830 6.181 5.351 6.801 . 0 0 "[ . 1 . 2]" 1
811 1 6 ILE MG 1 80 PHE QE . . 8.450 6.305 5.323 7.076 . 0 0 "[ . 1 . 2]" 1
812 1 6 ILE MG 1 80 PHE QD . . 8.450 4.697 3.830 5.519 . 0 0 "[ . 1 . 2]" 1
813 1 6 ILE HG12 1 80 PHE QE . . 7.830 5.859 3.657 7.302 . 0 0 "[ . 1 . 2]" 1
814 1 6 ILE HG12 1 80 PHE QD . . 7.830 4.694 2.405 5.853 . 0 0 "[ . 1 . 2]" 1
815 1 6 ILE HG13 1 80 PHE QE . . 7.830 5.790 4.125 7.278 . 0 0 "[ . 1 . 2]" 1
816 1 6 ILE HG13 1 80 PHE QD . . 7.830 4.563 3.193 5.700 . 0 0 "[ . 1 . 2]" 1
817 1 6 ILE MD 1 80 PHE HZ . . 7.020 5.932 5.112 7.053 0.033 20 0 "[ . 1 . 2]" 1
818 1 6 ILE MD 1 80 PHE QE . . 8.450 4.157 3.440 5.266 . 0 0 "[ . 1 . 2]" 1
819 1 6 ILE MD 1 80 PHE QD . . 8.450 3.348 2.354 4.606 . 0 0 "[ . 1 . 2]" 1
820 1 12 LEU HA 1 14 PHE QE . . 7.830 4.538 4.272 5.112 . 0 0 "[ . 1 . 2]" 1
821 1 12 LEU HG 1 14 PHE QE . . 7.830 3.878 1.998 4.179 . 0 0 "[ . 1 . 2]" 1
822 1 12 LEU HG 1 14 PHE QD . . 7.830 5.137 2.657 5.514 . 0 0 "[ . 1 . 2]" 1
823 1 12 LEU MD1 1 14 PHE QE . . 8.450 4.113 3.335 4.519 . 0 0 "[ . 1 . 2]" 1
824 1 12 LEU MD1 1 14 PHE QD . . 8.450 4.914 4.144 5.202 . 0 0 "[ . 1 . 2]" 1
825 1 12 LEU MD2 1 14 PHE QE . . 8.450 2.218 1.865 2.490 . 0 0 "[ . 1 . 2]" 1
826 1 12 LEU MD2 1 14 PHE QD . . 8.450 3.936 3.582 4.185 . 0 0 "[ . 1 . 2]" 1
827 1 14 PHE HZ 1 16 ILE MG . . 6.320 3.815 3.308 4.043 . 0 0 "[ . 1 . 2]" 1
828 1 14 PHE HZ 1 54 LEU HG . . 5.700 5.185 4.055 5.715 0.015 9 0 "[ . 1 . 2]" 1
829 1 14 PHE QE 1 16 ILE MG . . 6.950 2.095 1.949 2.500 . 0 0 "[ . 1 . 2]" 1
830 1 14 PHE QE 1 16 ILE MD . . 9.150 3.699 3.123 4.299 . 0 0 "[ . 1 . 2]" 1
831 1 14 PHE QE 1 33 VAL MG1 . . 8.450 3.731 3.309 4.181 . 0 0 "[ . 1 . 2]" 1
832 1 14 PHE QE 1 33 VAL MG2 . . 8.450 2.493 2.134 2.920 . 0 0 "[ . 1 . 2]" 1
833 1 14 PHE QE 1 42 ALA MB . . 8.450 2.716 2.376 3.366 . 0 0 "[ . 1 . 2]" 1
834 1 14 PHE QE 1 48 LEU MD1 . . 9.150 4.431 3.266 4.915 . 0 0 "[ . 1 . 2]" 1
835 1 14 PHE QE 1 48 LEU MD2 . . 9.150 3.266 2.434 5.318 . 0 0 "[ . 1 . 2]" 1
836 1 14 PHE QE 1 54 LEU MD1 . . 8.450 2.288 1.916 3.200 . 0 0 "[ . 1 . 2]" 1
837 1 14 PHE QE 1 54 LEU MD2 . . 8.450 3.196 2.058 3.834 . 0 0 "[ . 1 . 2]" 1
838 1 14 PHE QE 1 74 LEU HG . . 7.830 5.219 4.834 5.533 . 0 0 "[ . 1 . 2]" 1
839 1 14 PHE QE 1 74 LEU MD1 . . 8.450 4.350 3.024 4.787 . 0 0 "[ . 1 . 2]" 1
840 1 14 PHE QE 1 74 LEU MD2 . . 8.450 2.747 2.560 2.970 . 0 0 "[ . 1 . 2]" 1
841 1 14 PHE QD 1 16 ILE MG . . 8.450 2.256 1.948 2.837 . 0 0 "[ . 1 . 2]" 1
842 1 14 PHE QD 1 16 ILE MD . . 8.450 4.723 4.256 5.191 . 0 0 "[ . 1 . 2]" 1
843 1 14 PHE QD 1 33 VAL HA . . 7.830 3.320 3.081 3.662 . 0 0 "[ . 1 . 2]" 1
844 1 14 PHE QD 1 33 VAL MG1 . . 8.450 2.176 1.936 2.480 . 0 0 "[ . 1 . 2]" 1
845 1 14 PHE QD 1 33 VAL MG2 . . 8.450 2.683 2.465 2.952 . 0 0 "[ . 1 . 2]" 1
846 1 14 PHE QD 1 36 ILE HA . . 7.830 4.279 4.095 4.444 . 0 0 "[ . 1 . 2]" 1
847 1 14 PHE QD 1 36 ILE MG . . 8.450 3.768 3.535 4.066 . 0 0 "[ . 1 . 2]" 1
848 1 14 PHE QD 1 36 ILE MD . . 8.450 4.747 4.044 5.155 . 0 0 "[ . 1 . 2]" 1
849 1 14 PHE QD 1 41 ALA MB . . 9.150 5.184 4.218 6.062 . 0 0 "[ . 1 . 2]" 1
850 1 14 PHE QD 1 42 ALA MB . . 6.950 2.075 1.923 2.712 . 0 0 "[ . 1 . 2]" 1
851 1 14 PHE QD 1 48 LEU MD1 . . 8.450 4.872 3.477 5.336 . 0 0 "[ . 1 . 2]" 1
852 1 14 PHE QD 1 48 LEU MD2 . . 8.450 3.246 2.669 5.678 . 0 0 "[ . 1 . 2]" 1
853 1 16 ILE HB 1 67 HIS HE1 . . 5.700 4.191 2.463 7.150 1.450 15 1 "[ . 1 + 2]" 1
854 1 16 ILE MG 1 67 HIS HE1 . . 7.020 5.113 3.973 7.297 0.277 15 0 "[ . 1 . 2]" 1
855 1 16 ILE QG 1 67 HIS HE1 . . 5.000 2.670 1.975 4.804 . 0 0 "[ . 1 . 2]" 1
856 1 16 ILE MD 1 67 HIS HE1 . . 6.320 3.845 2.845 5.506 . 0 0 "[ . 1 . 2]" 1
857 1 17 ALA HA 1 67 HIS HE1 . . 3.500 2.652 2.079 5.042 1.542 15 1 "[ . 1 + 2]" 1
858 1 17 ALA MB 1 24 HIS HD2 . . 7.020 5.602 2.151 6.426 . 0 0 "[ . 1 . 2]" 1
859 1 17 ALA MB 1 24 HIS HE1 . . 6.320 4.377 3.255 6.215 . 0 0 "[ . 1 . 2]" 1
860 1 17 ALA MB 1 32 TYR QE . . 9.150 7.036 6.460 7.322 . 0 0 "[ . 1 . 2]" 1
861 1 17 ALA MB 1 32 TYR QD . . 9.150 5.300 4.672 5.615 . 0 0 "[ . 1 . 2]" 1
862 1 17 ALA MB 1 67 HIS HE1 . . 6.320 3.993 3.699 5.781 . 0 0 "[ . 1 . 2]" 1
863 1 18 GLY HA2 1 32 TYR QD . . 7.830 4.606 3.749 6.529 . 0 0 "[ . 1 . 2]" 1
864 1 18 GLY HA3 1 32 TYR QD . . 7.830 3.646 2.886 5.713 . 0 0 "[ . 1 . 2]" 1
865 1 24 HIS HA 1 32 TYR QE . . 7.830 6.339 5.184 7.026 . 0 0 "[ . 1 . 2]" 1
866 1 24 HIS HA 1 32 TYR QD . . 7.130 5.224 4.555 5.918 . 0 0 "[ . 1 . 2]" 1
867 1 24 HIS HB2 1 32 TYR QE . . 7.830 5.268 4.510 5.764 . 0 0 "[ . 1 . 2]" 1
868 1 24 HIS HB2 1 32 TYR QD . . 7.130 3.511 2.848 4.212 . 0 0 "[ . 1 . 2]" 1
869 1 24 HIS HB3 1 32 TYR QE . . 7.830 4.052 3.328 4.831 . 0 0 "[ . 1 . 2]" 1
870 1 24 HIS HB3 1 32 TYR QD . . 7.130 2.776 2.194 3.680 . 0 0 "[ . 1 . 2]" 1
871 1 24 HIS HD2 1 25 ILE QG . . 5.000 2.905 2.064 6.668 1.668 13 2 "[ .- 1 + . 2]" 1
872 1 24 HIS HD2 1 25 ILE MD . . 4.820 2.606 1.953 5.207 0.387 6 0 "[ . 1 . 2]" 1
873 1 24 HIS HD2 1 32 TYR HB2 . . 5.000 4.383 3.826 5.095 0.095 13 0 "[ . 1 . 2]" 1
874 1 24 HIS HD2 1 32 TYR HB3 . . 5.000 4.218 3.078 4.649 . 0 0 "[ . 1 . 2]" 1
875 1 24 HIS HD2 1 32 TYR QE . . 7.830 5.106 4.727 5.731 . 0 0 "[ . 1 . 2]" 1
876 1 24 HIS HD2 1 32 TYR QD . . 7.130 4.249 3.573 4.771 . 0 0 "[ . 1 . 2]" 1
877 1 24 HIS HE1 1 34 THR MG . . 4.820 2.528 2.003 5.160 0.340 13 0 "[ . 1 . 2]" 1
878 1 25 ILE HB 1 32 TYR QE . . 7.130 3.554 2.969 5.473 . 0 0 "[ . 1 . 2]" 1
879 1 25 ILE MG 1 32 TYR QE . . 9.150 4.302 4.000 5.472 . 0 0 "[ . 1 . 2]" 1
880 1 25 ILE MG 1 32 TYR QD . . 9.150 5.382 5.132 5.973 . 0 0 "[ . 1 . 2]" 1
881 1 25 ILE QG 1 32 TYR QE . . 7.830 2.943 2.504 3.903 . 0 0 "[ . 1 . 2]" 1
882 1 25 ILE QG 1 32 TYR QD . . 7.830 3.515 3.234 4.657 . 0 0 "[ . 1 . 2]" 1
883 1 25 ILE MD 1 32 TYR QE . . 8.450 3.623 2.560 4.284 . 0 0 "[ . 1 . 2]" 1
884 1 25 ILE MD 1 32 TYR QD . . 8.450 3.927 2.697 4.462 . 0 0 "[ . 1 . 2]" 1
885 1 30 SER HA 1 32 TYR QE . . 7.830 4.866 4.444 7.550 . 0 0 "[ . 1 . 2]" 1
886 1 30 SER HB2 1 32 TYR QD . . 7.830 3.531 2.637 4.412 . 0 0 "[ . 1 . 2]" 1
887 1 30 SER HB3 1 32 TYR QD . . 7.830 4.378 4.058 5.169 . 0 0 "[ . 1 . 2]" 1
888 1 31 ILE HA 1 32 TYR QD . . 7.830 3.730 3.382 5.335 . 0 0 "[ . 1 . 2]" 1
889 1 31 ILE MD 1 32 TYR QE . . 9.150 6.239 5.770 8.224 . 0 0 "[ . 1 . 2]" 1
890 1 31 ILE MD 1 32 TYR QD . . 9.150 5.183 4.833 6.440 . 0 0 "[ . 1 . 2]" 1
891 1 31 ILE MD 1 67 HIS HE1 . . 7.020 5.081 3.707 7.112 0.092 15 0 "[ . 1 . 2]" 1
892 1 32 TYR QE 1 53 LYS HA . . 7.830 3.760 3.525 4.114 . 0 0 "[ . 1 . 2]" 1
893 1 32 TYR QE 1 53 LYS HB2 . . 7.130 2.607 2.086 2.821 . 0 0 "[ . 1 . 2]" 1
894 1 32 TYR QE 1 53 LYS HB3 . . 7.130 3.808 3.301 4.152 . 0 0 "[ . 1 . 2]" 1
895 1 32 TYR QE 1 53 LYS HG2 . . 7.830 4.764 4.174 5.535 . 0 0 "[ . 1 . 2]" 1
896 1 32 TYR QE 1 53 LYS HG3 . . 7.830 3.437 2.820 4.752 . 0 0 "[ . 1 . 2]" 1
897 1 32 TYR QE 1 53 LYS HE2 . . 7.830 5.509 3.727 6.873 . 0 0 "[ . 1 . 2]" 1
898 1 32 TYR QE 1 53 LYS HE3 . . 7.830 5.559 4.178 6.502 . 0 0 "[ . 1 . 2]" 1
899 1 32 TYR QE 1 88 PRO HB2 . . 7.830 4.101 3.661 4.888 . 0 0 "[ . 1 . 2]" 1
900 1 32 TYR QD 1 51 GLY HA2 . . 7.830 2.969 2.645 3.598 . 0 0 "[ . 1 . 2]" 1
901 1 32 TYR QD 1 51 GLY HA3 . . 7.830 4.195 3.886 5.139 . 0 0 "[ . 1 . 2]" 1
902 1 32 TYR QD 1 53 LYS HA . . 7.830 3.353 2.216 3.591 . 0 0 "[ . 1 . 2]" 1
903 1 36 ILE MG 1 43 HIS HD2 . . 4.820 4.245 2.113 5.240 0.420 7 0 "[ . 1 . 2]" 1
904 1 36 ILE MD 1 43 HIS HD2 . . 7.020 6.179 4.205 7.129 0.109 1 0 "[ . 1 . 2]" 1
905 1 38 GLU HA 1 43 HIS HD2 . . 5.000 3.569 2.121 4.792 . 0 0 "[ . 1 . 2]" 1
906 1 38 GLU HA 1 43 HIS HE1 . . 5.000 4.003 3.011 5.188 0.188 10 0 "[ . 1 . 2]" 1
907 1 38 GLU QB 1 43 HIS HD2 . . 5.700 4.457 3.047 5.940 0.240 11 0 "[ . 1 . 2]" 1
908 1 38 GLU QB 1 43 HIS HE1 . . 5.000 4.029 3.165 5.716 0.716 10 1 "[ . + . 2]" 1
909 1 38 GLU QG 1 43 HIS HD2 . . 7.480 6.143 4.904 7.572 0.092 11 0 "[ . 1 . 2]" 1
910 1 38 GLU QG 1 43 HIS HE1 . . 5.780 5.959 5.064 7.568 1.788 10 7 "[* .* *+ * * -]" 1
911 1 43 HIS HA 1 43 HIS HD2 . . 5.000 4.243 3.689 4.512 . 0 0 "[ . 1 . 2]" 1
912 1 58 ASN HA 1 82 TYR QD . . 7.830 3.774 2.537 4.857 . 0 0 "[ . 1 . 2]" 1
913 1 67 HIS HD2 1 68 GLU HA . . 5.700 4.459 3.451 6.182 0.482 15 0 "[ . 1 . 2]" 1
914 1 67 HIS HD2 1 71 VAL HB . . 5.700 5.407 4.839 6.394 0.694 15 1 "[ . 1 + 2]" 1
915 1 67 HIS HD2 1 71 VAL MG1 . . 7.020 5.285 4.917 5.993 . 0 0 "[ . 1 . 2]" 1
916 1 67 HIS HD2 1 71 VAL MG2 . . 7.020 3.117 2.770 3.552 . 0 0 "[ . 1 . 2]" 1
917 1 67 HIS HE1 1 70 ALA MB . . 7.020 5.274 4.541 6.415 . 0 0 "[ . 1 . 2]" 1
918 1 79 ASP QB 1 80 PHE QE . . 10.310 7.204 6.353 7.525 . 0 0 "[ . 1 . 2]" 1
919 1 79 ASP QB 1 80 PHE QD . . 10.310 5.307 4.446 5.627 . 0 0 "[ . 1 . 2]" 1
920 1 81 VAL HA 1 82 TYR QD . . 7.830 5.185 3.993 5.992 . 0 0 "[ . 1 . 2]" 1
921 1 1 MET HA 1 2 GLU H . . 3.500 2.164 2.079 2.363 . 0 0 "[ . 1 . 2]" 1
922 1 1 MET HG2 1 2 GLU H . . 5.000 4.357 3.352 5.033 0.033 3 0 "[ . 1 . 2]" 1
923 1 1 MET HG3 1 2 GLU H . . 5.000 3.740 3.079 4.317 . 0 0 "[ . 1 . 2]" 1
924 1 2 GLU H 1 2 GLU HB2 . . 4.000 3.661 3.502 3.873 . 0 0 "[ . 1 . 2]" 1
925 1 2 GLU H 1 2 GLU HB3 . . 4.000 3.485 3.228 3.615 . 0 0 "[ . 1 . 2]" 1
926 1 2 GLU H 1 2 GLU HG2 . . 5.000 2.332 2.103 2.595 . 0 0 "[ . 1 . 2]" 1
927 1 2 GLU H 1 2 GLU HG3 . . 5.000 3.755 3.237 3.945 . 0 0 "[ . 1 . 2]" 1
928 1 2 GLU H 1 3 ILE MD . . 7.020 5.549 5.194 5.851 . 0 0 "[ . 1 . 2]" 1
929 1 2 GLU HA 1 3 ILE H . . 2.800 1.933 1.812 2.042 . 0 0 "[ . 1 . 2]" 1
930 1 2 GLU HA 1 83 LEU H . . 5.700 4.910 4.682 5.108 . 0 0 "[ . 1 . 2]" 1
931 1 2 GLU HG2 1 3 ILE H . . 5.000 4.742 4.666 5.019 0.019 18 0 "[ . 1 . 2]" 1
932 1 2 GLU HG3 1 3 ILE H . . 5.000 4.966 4.247 5.071 0.071 20 0 "[ . 1 . 2]" 1
933 1 3 ILE H 1 3 ILE HB . . 3.500 2.449 2.292 2.588 . 0 0 "[ . 1 . 2]" 1
934 1 3 ILE H 1 3 ILE HG12 . . 5.000 3.900 3.587 4.076 . 0 0 "[ . 1 . 2]" 1
935 1 3 ILE H 1 3 ILE HG13 . . 5.000 2.744 2.386 2.968 . 0 0 "[ . 1 . 2]" 1
936 1 3 ILE H 1 3 ILE MD . . 5.320 3.902 3.704 4.086 . 0 0 "[ . 1 . 2]" 1
937 1 3 ILE H 1 4 LYS H . . 5.000 4.031 3.910 4.246 . 0 0 "[ . 1 . 2]" 1
938 1 3 ILE H 1 82 TYR HA . . 5.000 4.691 4.407 4.993 . 0 0 "[ . 1 . 2]" 1
939 1 3 ILE H 1 83 LEU H . . 3.500 3.334 3.189 3.477 . 0 0 "[ . 1 . 2]" 1
940 1 3 ILE H 1 84 LYS QB . . 7.480 5.040 4.674 5.401 . 0 0 "[ . 1 . 2]" 1
941 1 3 ILE H 1 85 VAL H . . 5.000 4.082 3.773 4.371 . 0 0 "[ . 1 . 2]" 1
942 1 3 ILE HA 1 4 LYS H . . 2.800 2.114 2.017 2.200 . 0 0 "[ . 1 . 2]" 1
943 1 3 ILE MG 1 4 LYS H . . 4.820 3.155 2.711 3.399 . 0 0 "[ . 1 . 2]" 1
944 1 3 ILE MG 1 47 LYS H . . 6.320 4.593 4.338 4.819 . 0 0 "[ . 1 . 2]" 1
945 1 3 ILE MG 1 48 LEU H . . 6.320 4.718 4.484 4.987 . 0 0 "[ . 1 . 2]" 1
946 1 3 ILE HG12 1 4 LYS H . . 5.000 4.578 4.476 4.726 . 0 0 "[ . 1 . 2]" 1
947 1 3 ILE HG13 1 4 LYS H . . 5.000 5.012 4.942 5.032 0.032 6 0 "[ . 1 . 2]" 1
948 1 3 ILE MD 1 4 LYS H . . 7.020 5.376 5.243 5.496 . 0 0 "[ . 1 . 2]" 1
949 1 3 ILE MD 1 47 LYS H . . 6.320 5.021 4.716 5.503 . 0 0 "[ . 1 . 2]" 1
950 1 3 ILE MD 1 48 LEU H . . 6.320 4.032 3.812 4.287 . 0 0 "[ . 1 . 2]" 1
951 1 4 LYS H 1 4 LYS HB2 . . 3.500 2.706 2.242 2.999 . 0 0 "[ . 1 . 2]" 1
952 1 4 LYS H 1 4 LYS HB3 . . 3.500 2.633 2.194 3.597 0.097 13 0 "[ . 1 . 2]" 1
953 1 4 LYS H 1 4 LYS HE2 . . 5.700 4.514 2.803 5.692 . 0 0 "[ . 1 . 2]" 1
954 1 4 LYS H 1 4 LYS HE3 . . 5.700 4.878 3.579 5.752 0.052 8 0 "[ . 1 . 2]" 1
955 1 4 LYS H 1 5 LEU H . . 5.000 4.322 4.037 4.537 . 0 0 "[ . 1 . 2]" 1
956 1 4 LYS H 1 83 LEU H . . 5.700 4.652 4.551 4.785 . 0 0 "[ . 1 . 2]" 1
957 1 4 LYS HA 1 5 LEU H . . 2.800 2.052 1.954 2.136 . 0 0 "[ . 1 . 2]" 1
958 1 4 LYS HA 1 6 ILE H . . 6.100 6.074 5.837 6.167 0.067 7 0 "[ . 1 . 2]" 1
959 1 4 LYS HA 1 83 LEU H . . 3.500 3.089 2.923 3.332 . 0 0 "[ . 1 . 2]" 1
960 1 5 LEU H 1 5 LEU HG . . 5.000 3.358 2.727 4.169 . 0 0 "[ . 1 . 2]" 1
961 1 5 LEU H 1 6 ILE H . . 5.000 4.366 4.310 4.433 . 0 0 "[ . 1 . 2]" 1
962 1 5 LEU H 1 6 ILE HA . . 5.700 4.760 4.603 4.973 . 0 0 "[ . 1 . 2]" 1
963 1 5 LEU H 1 80 PHE QE . . 7.130 5.740 4.665 6.470 . 0 0 "[ . 1 . 2]" 1
964 1 5 LEU H 1 81 VAL HB . . 5.000 2.702 2.354 3.141 . 0 0 "[ . 1 . 2]" 1
965 1 5 LEU H 1 83 LEU H . . 5.000 3.686 3.396 3.974 . 0 0 "[ . 1 . 2]" 1
966 1 5 LEU HA 1 6 ILE H . . 2.800 2.215 2.155 2.250 . 0 0 "[ . 1 . 2]" 1
967 1 5 LEU HB2 1 6 ILE H . . 5.000 3.957 3.684 4.390 . 0 0 "[ . 1 . 2]" 1
968 1 5 LEU HB2 1 81 VAL H . . 5.700 4.023 3.522 4.530 . 0 0 "[ . 1 . 2]" 1
969 1 5 LEU HB3 1 6 ILE H . . 5.000 2.910 2.511 3.606 . 0 0 "[ . 1 . 2]" 1
970 1 5 LEU HB3 1 81 VAL H . . 5.700 4.590 3.577 5.188 . 0 0 "[ . 1 . 2]" 1
971 1 5 LEU MD1 1 42 ALA H . . 6.320 3.990 3.328 4.781 . 0 0 "[ . 1 . 2]" 1
972 1 5 LEU MD2 1 42 ALA H . . 6.320 3.598 3.138 4.089 . 0 0 "[ . 1 . 2]" 1
973 1 6 ILE H 1 6 ILE HB . . 2.800 2.512 2.443 2.553 . 0 0 "[ . 1 . 2]" 1
974 1 6 ILE H 1 6 ILE HG12 . . 5.000 3.492 2.600 4.320 . 0 0 "[ . 1 . 2]" 1
975 1 6 ILE H 1 6 ILE HG13 . . 5.000 3.716 2.661 4.118 . 0 0 "[ . 1 . 2]" 1
976 1 6 ILE H 1 7 LYS H . . 5.000 4.277 4.143 4.495 . 0 0 "[ . 1 . 2]" 1
977 1 6 ILE H 1 79 ASP QB . . 8.180 7.226 6.698 7.968 . 0 0 "[ . 1 . 2]" 1
978 1 6 ILE H 1 80 PHE HA . . 5.700 5.105 4.852 5.389 . 0 0 "[ . 1 . 2]" 1
979 1 6 ILE H 1 81 VAL HB . . 5.700 4.922 4.623 5.210 . 0 0 "[ . 1 . 2]" 1
980 1 6 ILE HA 1 7 LYS H . . 2.800 2.149 2.036 2.313 . 0 0 "[ . 1 . 2]" 1
981 1 6 ILE MG 1 7 LYS H . . 6.320 2.875 2.347 3.157 . 0 0 "[ . 1 . 2]" 1
982 1 6 ILE MG 1 8 GLY H . . 6.320 4.749 4.274 5.039 . 0 0 "[ . 1 . 2]" 1
983 1 6 ILE MG 1 79 ASP H . . 6.320 4.470 3.754 4.910 . 0 0 "[ . 1 . 2]" 1
984 1 6 ILE MG 1 80 PHE H . . 6.320 4.434 4.189 4.722 . 0 0 "[ . 1 . 2]" 1
985 1 6 ILE MD 1 7 LYS H . . 6.320 4.324 3.513 5.209 . 0 0 "[ . 1 . 2]" 1
986 1 7 LYS H 1 7 LYS HB2 . . 3.500 2.581 2.275 2.893 . 0 0 "[ . 1 . 2]" 1
987 1 7 LYS H 1 7 LYS HB3 . . 3.500 2.521 2.098 2.849 . 0 0 "[ . 1 . 2]" 1
988 1 7 LYS H 1 8 GLY H . . 5.000 4.568 4.487 4.639 . 0 0 "[ . 1 . 2]" 1
989 1 7 LYS H 1 78 SER H . . 5.700 5.587 5.254 5.752 0.052 5 0 "[ . 1 . 2]" 1
990 1 7 LYS H 1 79 ASP HA . . 5.000 2.473 1.758 3.136 . 0 0 "[ . 1 . 2]" 1
991 1 7 LYS H 1 79 ASP QB . . 7.480 4.302 3.619 4.791 . 0 0 "[ . 1 . 2]" 1
992 1 7 LYS H 1 80 PHE H . . 5.700 3.132 2.651 3.541 . 0 0 "[ . 1 . 2]" 1
993 1 7 LYS H 1 80 PHE HA . . 5.000 3.380 2.868 3.774 . 0 0 "[ . 1 . 2]" 1
994 1 7 LYS H 1 80 PHE HB2 . . 5.700 5.168 4.848 5.646 . 0 0 "[ . 1 . 2]" 1
995 1 7 LYS H 1 80 PHE HB3 . . 5.700 5.550 5.228 5.752 0.052 5 0 "[ . 1 . 2]" 1
996 1 7 LYS H 1 80 PHE QE . . 7.830 7.462 6.981 7.837 0.007 8 0 "[ . 1 . 2]" 1
997 1 7 LYS H 1 81 VAL H . . 5.000 4.119 3.791 4.666 . 0 0 "[ . 1 . 2]" 1
998 1 7 LYS HA 1 8 GLY H . . 2.800 2.328 2.122 2.642 . 0 0 "[ . 1 . 2]" 1
999 1 7 LYS HA 1 11 GLY H . . 5.700 5.374 4.929 5.732 0.032 15 0 "[ . 1 . 2]" 1
1000 1 7 LYS QD 1 8 GLY H . . 5.780 3.386 2.057 4.646 . 0 0 "[ . 1 . 2]" 1
1001 1 7 LYS QD 1 11 GLY H . . 7.480 4.893 3.336 5.858 . 0 0 "[ . 1 . 2]" 1
1002 1 7 LYS QD 1 78 SER H . . 8.180 4.340 3.434 6.080 . 0 0 "[ . 1 . 2]" 1
1003 1 7 LYS QE 1 8 GLY H . . 8.180 3.616 2.566 4.699 . 0 0 "[ . 1 . 2]" 1
1004 1 7 LYS QE 1 11 GLY H . . 7.480 4.007 3.444 5.297 . 0 0 "[ . 1 . 2]" 1
1005 1 8 GLY H 1 10 LYS H . . 5.700 4.153 3.786 4.837 . 0 0 "[ . 1 . 2]" 1
1006 1 8 GLY H 1 11 GLY H . . 3.500 3.354 3.026 3.518 0.018 17 0 "[ . 1 . 2]" 1
1007 1 8 GLY H 1 12 LEU HA . . 5.000 3.914 3.379 4.415 . 0 0 "[ . 1 . 2]" 1
1008 1 8 GLY H 1 41 ALA MB . . 6.320 3.814 2.930 4.608 . 0 0 "[ . 1 . 2]" 1
1009 1 8 GLY H 1 78 SER HA . . 5.700 5.838 5.717 5.956 0.256 8 0 "[ . 1 . 2]" 1
1010 1 8 GLY HA2 1 11 GLY H . . 5.000 4.735 4.510 4.946 . 0 0 "[ . 1 . 2]" 1
1011 1 8 GLY HA3 1 11 GLY H . . 5.000 4.121 3.450 4.456 . 0 0 "[ . 1 . 2]" 1
1012 1 9 PRO HA 1 10 LYS H . . 3.500 3.446 3.363 3.540 0.040 20 0 "[ . 1 . 2]" 1
1013 1 9 PRO HA 1 11 GLY H . . 5.000 3.699 3.495 3.967 . 0 0 "[ . 1 . 2]" 1
1014 1 9 PRO HD2 1 10 LYS H . . 5.000 2.784 2.398 3.226 . 0 0 "[ . 1 . 2]" 1
1015 1 9 PRO HD3 1 10 LYS H . . 5.000 3.934 3.757 4.276 . 0 0 "[ . 1 . 2]" 1
1016 1 10 LYS H 1 10 LYS HG2 . . 5.000 4.216 3.611 4.633 . 0 0 "[ . 1 . 2]" 1
1017 1 10 LYS H 1 10 LYS HG3 . . 5.000 3.859 2.626 4.629 . 0 0 "[ . 1 . 2]" 1
1018 1 10 LYS H 1 11 GLY H . . 3.500 2.288 2.080 2.625 . 0 0 "[ . 1 . 2]" 1
1019 1 10 LYS HA 1 11 GLY H . . 3.500 3.044 2.860 3.255 . 0 0 "[ . 1 . 2]" 1
1020 1 10 LYS HG2 1 11 GLY H . . 5.000 4.925 4.574 5.157 0.157 13 0 "[ . 1 . 2]" 1
1021 1 10 LYS HG3 1 11 GLY H . . 5.000 4.891 4.046 5.155 0.155 5 0 "[ . 1 . 2]" 1
1022 1 10 LYS QD 1 11 GLY H . . 7.480 5.625 4.451 6.078 . 0 0 "[ . 1 . 2]" 1
1023 1 11 GLY H 1 12 LEU H . . 5.000 4.453 4.256 4.612 . 0 0 "[ . 1 . 2]" 1
1024 1 11 GLY H 1 13 GLY H . . 5.700 5.336 4.877 5.739 0.039 17 0 "[ . 1 . 2]" 1
1025 1 11 GLY HA2 1 12 LEU H . . 3.500 3.138 2.874 3.311 . 0 0 "[ . 1 . 2]" 1
1026 1 11 GLY HA2 1 13 GLY H . . 5.000 4.730 4.049 5.089 0.089 5 0 "[ . 1 . 2]" 1
1027 1 11 GLY HA3 1 12 LEU H . . 3.500 2.121 2.033 2.330 . 0 0 "[ . 1 . 2]" 1
1028 1 11 GLY HA3 1 13 GLY H . . 5.000 3.398 2.702 3.922 . 0 0 "[ . 1 . 2]" 1
1029 1 12 LEU H 1 12 LEU HG . . 5.000 3.866 3.549 4.555 . 0 0 "[ . 1 . 2]" 1
1030 1 12 LEU H 1 13 GLY H . . 2.800 1.974 1.800 2.568 . 0 0 "[ . 1 . 2]" 1
1031 1 12 LEU H 1 14 PHE H . . 5.000 4.189 3.863 4.953 . 0 0 "[ . 1 . 2]" 1
1032 1 12 LEU H 1 14 PHE QE . . 7.830 5.351 5.067 5.942 . 0 0 "[ . 1 . 2]" 1
1033 1 12 LEU HA 1 13 GLY H . . 3.500 3.435 3.313 3.525 0.025 5 0 "[ . 1 . 2]" 1
1034 1 12 LEU HB2 1 13 GLY H . . 5.000 2.797 2.365 3.626 . 0 0 "[ . 1 . 2]" 1
1035 1 12 LEU HB2 1 14 PHE H . . 5.000 3.631 3.288 5.057 0.057 17 0 "[ . 1 . 2]" 1
1036 1 12 LEU HB3 1 13 GLY H . . 5.000 3.669 2.555 4.031 . 0 0 "[ . 1 . 2]" 1
1037 1 12 LEU HB3 1 14 PHE H . . 5.000 4.396 3.393 4.816 . 0 0 "[ . 1 . 2]" 1
1038 1 12 LEU HG 1 13 GLY H . . 5.000 4.931 4.185 5.047 0.047 15 0 "[ . 1 . 2]" 1
1039 1 12 LEU MD1 1 13 GLY H . . 6.320 3.759 3.534 4.502 . 0 0 "[ . 1 . 2]" 1
1040 1 12 LEU MD2 1 13 GLY H . . 6.320 4.767 4.456 5.129 . 0 0 "[ . 1 . 2]" 1
1041 1 13 GLY H 1 14 PHE H . . 2.800 2.537 2.335 2.688 . 0 0 "[ . 1 . 2]" 1
1042 1 13 GLY H 1 14 PHE HA . . 5.700 5.129 4.968 5.251 . 0 0 "[ . 1 . 2]" 1
1043 1 13 GLY H 1 14 PHE QD . . 7.130 4.020 3.302 4.319 . 0 0 "[ . 1 . 2]" 1
1044 1 13 GLY H 1 37 ILE HG12 . . 5.700 5.522 4.690 5.912 0.212 15 0 "[ . 1 . 2]" 1
1045 1 13 GLY H 1 37 ILE HG13 . . 5.700 5.333 4.407 5.747 0.047 5 0 "[ . 1 . 2]" 1
1046 1 13 GLY H 1 37 ILE MD . . 7.020 6.375 5.618 6.734 . 0 0 "[ . 1 . 2]" 1
1047 1 13 GLY H 1 42 ALA H . . 5.700 5.063 4.870 5.181 . 0 0 "[ . 1 . 2]" 1
1048 1 13 GLY HA2 1 14 PHE H . . 3.500 2.748 2.620 2.888 . 0 0 "[ . 1 . 2]" 1
1049 1 13 GLY HA3 1 14 PHE H . . 3.500 3.532 3.512 3.546 0.046 9 0 "[ . 1 . 2]" 1
1050 1 14 PHE H 1 15 SER H . . 5.000 4.311 4.222 4.376 . 0 0 "[ . 1 . 2]" 1
1051 1 14 PHE H 1 15 SER QB . . 7.480 5.762 5.623 5.890 . 0 0 "[ . 1 . 2]" 1
1052 1 14 PHE H 1 37 ILE HB . . 5.000 4.349 3.873 4.850 . 0 0 "[ . 1 . 2]" 1
1053 1 14 PHE H 1 37 ILE MG . . 7.020 5.380 4.899 5.917 . 0 0 "[ . 1 . 2]" 1
1054 1 14 PHE H 1 37 ILE HG12 . . 5.700 3.863 3.231 4.400 . 0 0 "[ . 1 . 2]" 1
1055 1 14 PHE H 1 37 ILE HG13 . . 5.700 4.343 3.701 5.015 . 0 0 "[ . 1 . 2]" 1
1056 1 14 PHE H 1 37 ILE MD . . 6.320 5.145 4.544 5.648 . 0 0 "[ . 1 . 2]" 1
1057 1 14 PHE HA 1 15 SER H . . 3.500 2.312 2.094 2.591 . 0 0 "[ . 1 . 2]" 1
1058 1 14 PHE HA 1 35 LYS H . . 5.700 4.978 4.650 5.203 . 0 0 "[ . 1 . 2]" 1
1059 1 14 PHE HA 1 36 ILE H . . 5.700 4.677 4.467 4.876 . 0 0 "[ . 1 . 2]" 1
1060 1 14 PHE HA 1 37 ILE H . . 3.500 2.237 1.763 2.557 . 0 0 "[ . 1 . 2]" 1
1061 1 14 PHE HB2 1 15 SER H . . 5.000 2.472 2.155 2.747 . 0 0 "[ . 1 . 2]" 1
1062 1 14 PHE HB2 1 37 ILE H . . 5.700 3.948 3.549 4.270 . 0 0 "[ . 1 . 2]" 1
1063 1 14 PHE HB3 1 15 SER H . . 5.000 3.751 3.586 3.906 . 0 0 "[ . 1 . 2]" 1
1064 1 14 PHE HB3 1 37 ILE H . . 5.700 3.202 3.035 3.419 . 0 0 "[ . 1 . 2]" 1
1065 1 14 PHE QE 1 15 SER H . . 7.130 5.627 5.128 6.015 . 0 0 "[ . 1 . 2]" 1
1066 1 14 PHE QD 1 15 SER H . . 7.130 3.469 2.897 4.014 . 0 0 "[ . 1 . 2]" 1
1067 1 14 PHE QD 1 34 THR H . . 7.830 4.381 4.068 4.675 . 0 0 "[ . 1 . 2]" 1
1068 1 14 PHE QD 1 35 LYS H . . 7.830 4.472 3.995 4.769 . 0 0 "[ . 1 . 2]" 1
1069 1 14 PHE QD 1 42 ALA H . . 7.130 3.798 3.191 4.429 . 0 0 "[ . 1 . 2]" 1
1070 1 15 SER H 1 16 ILE MG . . 6.320 4.259 4.061 4.417 . 0 0 "[ . 1 . 2]" 1
1071 1 15 SER H 1 33 VAL HA . . 5.700 4.879 4.695 5.276 . 0 0 "[ . 1 . 2]" 1
1072 1 15 SER H 1 35 LYS H . . 3.500 2.966 2.779 3.193 . 0 0 "[ . 1 . 2]" 1
1073 1 15 SER H 1 36 ILE HA . . 3.500 3.099 2.838 3.347 . 0 0 "[ . 1 . 2]" 1
1074 1 15 SER H 1 37 ILE H . . 5.000 4.179 3.544 4.615 . 0 0 "[ . 1 . 2]" 1
1075 1 15 SER H 1 37 ILE MD . . 6.320 4.235 3.704 4.987 . 0 0 "[ . 1 . 2]" 1
1076 1 15 SER HA 1 16 ILE H . . 3.500 2.151 2.056 2.258 . 0 0 "[ . 1 . 2]" 1
1077 1 15 SER QB 1 34 THR H . . 8.180 3.729 3.299 3.988 . 0 0 "[ . 1 . 2]" 1
1078 1 15 SER QB 1 35 LYS H . . 5.780 2.835 2.489 3.293 . 0 0 "[ . 1 . 2]" 1
1079 1 15 SER QB 1 36 ILE H . . 8.180 5.206 4.933 5.432 . 0 0 "[ . 1 . 2]" 1
1080 1 16 ILE H 1 16 ILE QG . . 3.500 2.079 2.008 2.142 . 0 0 "[ . 1 . 2]" 1
1081 1 16 ILE H 1 17 ALA H . . 5.000 4.413 4.360 4.456 . 0 0 "[ . 1 . 2]" 1
1082 1 16 ILE H 1 33 VAL HA . . 5.000 4.856 4.639 5.012 0.012 16 0 "[ . 1 . 2]" 1
1083 1 16 ILE H 1 34 THR HB . . 5.000 4.979 4.791 5.070 0.070 15 0 "[ . 1 . 2]" 1
1084 1 16 ILE H 1 67 HIS HE1 . . 5.000 4.345 3.932 6.032 1.032 15 1 "[ . 1 + 2]" 1
1085 1 16 ILE HA 1 17 ALA H . . 2.800 2.220 2.142 2.304 . 0 0 "[ . 1 . 2]" 1
1086 1 16 ILE HA 1 32 TYR H . . 5.700 4.502 4.269 4.701 . 0 0 "[ . 1 . 2]" 1
1087 1 16 ILE HA 1 33 VAL H . . 5.700 4.644 4.532 4.812 . 0 0 "[ . 1 . 2]" 1
1088 1 16 ILE HA 1 34 THR H . . 5.000 2.399 2.240 2.679 . 0 0 "[ . 1 . 2]" 1
1089 1 16 ILE HA 1 35 LYS H . . 5.000 4.116 3.922 4.407 . 0 0 "[ . 1 . 2]" 1
1090 1 16 ILE HB 1 17 ALA H . . 3.500 2.764 2.548 3.096 . 0 0 "[ . 1 . 2]" 1
1091 1 16 ILE HB 1 32 TYR H . . 5.000 3.708 3.368 4.056 . 0 0 "[ . 1 . 2]" 1
1092 1 16 ILE MG 1 17 ALA H . . 6.320 3.604 3.389 3.924 . 0 0 "[ . 1 . 2]" 1
1093 1 16 ILE QG 1 17 ALA H . . 5.000 3.933 3.800 4.050 . 0 0 "[ . 1 . 2]" 1
1094 1 16 ILE MD 1 17 ALA H . . 6.320 4.620 4.486 4.765 . 0 0 "[ . 1 . 2]" 1
1095 1 16 ILE MD 1 70 ALA H . . 7.020 5.323 5.003 5.918 . 0 0 "[ . 1 . 2]" 1
1096 1 16 ILE MD 1 71 VAL H . . 6.320 3.599 3.312 4.166 . 0 0 "[ . 1 . 2]" 1
1097 1 16 ILE MD 1 74 LEU H . . 7.020 4.520 4.107 4.813 . 0 0 "[ . 1 . 2]" 1
1098 1 17 ALA H 1 18 GLY H . . 5.000 4.047 3.826 4.213 . 0 0 "[ . 1 . 2]" 1
1099 1 17 ALA H 1 31 ILE MG . . 6.320 3.475 2.988 3.786 . 0 0 "[ . 1 . 2]" 1
1100 1 17 ALA H 1 31 ILE MD . . 7.020 5.420 4.557 5.839 . 0 0 "[ . 1 . 2]" 1
1101 1 17 ALA H 1 32 TYR H . . 3.500 2.896 2.732 3.045 . 0 0 "[ . 1 . 2]" 1
1102 1 17 ALA H 1 33 VAL HA . . 5.000 3.794 3.587 3.996 . 0 0 "[ . 1 . 2]" 1
1103 1 17 ALA H 1 34 THR H . . 5.000 3.664 3.434 3.829 . 0 0 "[ . 1 . 2]" 1
1104 1 17 ALA H 1 34 THR MG . . 7.020 4.806 4.482 5.083 . 0 0 "[ . 1 . 2]" 1
1105 1 17 ALA H 1 67 HIS HE1 . . 5.700 4.383 3.417 7.381 1.681 15 1 "[ . 1 + 2]" 1
1106 1 17 ALA HA 1 18 GLY H . . 2.800 2.106 2.042 2.156 . 0 0 "[ . 1 . 2]" 1
1107 1 17 ALA HA 1 22 ASN HD21 . . 5.700 3.454 2.677 4.141 . 0 0 "[ . 1 . 2]" 1
1108 1 17 ALA HA 1 22 ASN HD22 . . 5.700 2.798 2.235 3.170 . 0 0 "[ . 1 . 2]" 1
1109 1 17 ALA MB 1 18 GLY H . . 4.820 3.096 2.888 3.331 . 0 0 "[ . 1 . 2]" 1
1110 1 17 ALA MB 1 22 ASN HD21 . . 7.020 3.600 2.809 4.425 . 0 0 "[ . 1 . 2]" 1
1111 1 17 ALA MB 1 22 ASN HD22 . . 7.020 2.646 2.182 3.256 . 0 0 "[ . 1 . 2]" 1
1112 1 17 ALA MB 1 24 HIS H . . 7.020 5.001 4.165 5.463 . 0 0 "[ . 1 . 2]" 1
1113 1 17 ALA MB 1 32 TYR H . . 6.320 4.112 3.938 4.332 . 0 0 "[ . 1 . 2]" 1
1114 1 18 GLY H 1 19 GLY H . . 5.000 4.194 4.085 4.269 . 0 0 "[ . 1 . 2]" 1
1115 1 18 GLY H 1 22 ASN HB2 . . 5.700 4.359 3.891 4.786 . 0 0 "[ . 1 . 2]" 1
1116 1 18 GLY H 1 22 ASN HB3 . . 5.700 3.077 2.617 3.456 . 0 0 "[ . 1 . 2]" 1
1117 1 18 GLY H 1 22 ASN HD21 . . 5.000 2.546 2.107 3.249 . 0 0 "[ . 1 . 2]" 1
1118 1 18 GLY H 1 22 ASN HD22 . . 5.000 2.814 2.387 3.383 . 0 0 "[ . 1 . 2]" 1
1119 1 18 GLY H 1 23 GLN HA . . 5.700 5.212 4.565 5.686 . 0 0 "[ . 1 . 2]" 1
1120 1 18 GLY H 1 24 HIS H . . 5.700 5.434 5.155 5.716 0.016 12 0 "[ . 1 . 2]" 1
1121 1 18 GLY H 1 31 ILE HA . . 5.000 4.082 3.833 4.395 . 0 0 "[ . 1 . 2]" 1
1122 1 18 GLY H 1 31 ILE MG . . 7.020 3.877 3.288 4.868 . 0 0 "[ . 1 . 2]" 1
1123 1 18 GLY H 1 32 TYR H . . 5.700 4.254 3.909 4.544 . 0 0 "[ . 1 . 2]" 1
1124 1 18 GLY H 1 67 HIS HE1 . . 5.000 3.679 2.978 5.583 0.583 15 1 "[ . 1 + 2]" 1
1125 1 18 GLY H 1 70 ALA MB . . 7.020 5.496 4.955 5.822 . 0 0 "[ . 1 . 2]" 1
1126 1 18 GLY HA2 1 25 ILE H . . 5.700 5.455 5.288 5.707 0.007 20 0 "[ . 1 . 2]" 1
1127 1 18 GLY HA3 1 25 ILE H . . 5.700 5.704 5.446 5.771 0.071 6 0 "[ . 1 . 2]" 1
1128 1 19 GLY H 1 20 VAL H . . 5.000 4.260 4.207 4.341 . 0 0 "[ . 1 . 2]" 1
1129 1 19 GLY H 1 20 VAL HA . . 5.700 4.845 4.734 4.932 . 0 0 "[ . 1 . 2]" 1
1130 1 19 GLY H 1 22 ASN H . . 5.700 3.727 3.537 3.959 . 0 0 "[ . 1 . 2]" 1
1131 1 19 GLY H 1 22 ASN HA . . 5.700 5.262 5.065 5.489 . 0 0 "[ . 1 . 2]" 1
1132 1 19 GLY H 1 22 ASN HB2 . . 5.700 4.967 4.578 5.348 . 0 0 "[ . 1 . 2]" 1
1133 1 19 GLY H 1 22 ASN HB3 . . 5.700 3.363 2.922 3.739 . 0 0 "[ . 1 . 2]" 1
1134 1 19 GLY H 1 24 HIS H . . 5.700 4.113 3.711 4.464 . 0 0 "[ . 1 . 2]" 1
1135 1 19 GLY H 1 30 SER H . . 5.000 4.485 4.006 4.705 . 0 0 "[ . 1 . 2]" 1
1136 1 19 GLY H 1 30 SER HA . . 5.700 4.416 4.142 5.345 . 0 0 "[ . 1 . 2]" 1
1137 1 19 GLY H 1 31 ILE MD . . 6.320 3.168 2.683 3.752 . 0 0 "[ . 1 . 2]" 1
1138 1 19 GLY H 1 32 TYR H . . 6.100 5.279 4.894 5.679 . 0 0 "[ . 1 . 2]" 1
1139 1 19 GLY H 1 67 HIS H . . 5.700 5.715 5.493 5.808 0.108 9 0 "[ . 1 . 2]" 1
1140 1 19 GLY H 1 67 HIS HA . . 5.700 5.360 4.973 5.668 . 0 0 "[ . 1 . 2]" 1
1141 1 19 GLY H 1 70 ALA MB . . 7.020 5.812 5.301 6.187 . 0 0 "[ . 1 . 2]" 1
1142 1 19 GLY HA2 1 20 VAL H . . 3.500 2.528 2.448 2.625 . 0 0 "[ . 1 . 2]" 1
1143 1 19 GLY HA2 1 21 GLY H . . 5.700 5.360 5.211 5.532 . 0 0 "[ . 1 . 2]" 1
1144 1 19 GLY HA2 1 67 HIS H . . 5.000 4.387 3.983 4.689 . 0 0 "[ . 1 . 2]" 1
1145 1 19 GLY HA3 1 20 VAL H . . 3.500 2.599 2.492 2.691 . 0 0 "[ . 1 . 2]" 1
1146 1 19 GLY HA3 1 21 GLY H . . 5.700 5.372 5.138 5.584 . 0 0 "[ . 1 . 2]" 1
1147 1 19 GLY HA3 1 67 HIS H . . 5.000 2.956 2.667 3.104 . 0 0 "[ . 1 . 2]" 1
1148 1 20 VAL H 1 20 VAL HB . . 3.500 2.641 2.556 2.753 . 0 0 "[ . 1 . 2]" 1
1149 1 20 VAL H 1 21 GLY H . . 5.000 4.298 4.221 4.400 . 0 0 "[ . 1 . 2]" 1
1150 1 20 VAL H 1 31 ILE MD . . 7.020 4.282 3.864 5.109 . 0 0 "[ . 1 . 2]" 1
1151 1 20 VAL H 1 66 THR HA . . 3.500 2.379 1.971 2.604 . 0 0 "[ . 1 . 2]" 1
1152 1 20 VAL H 1 66 THR HB . . 5.700 5.121 4.543 5.442 . 0 0 "[ . 1 . 2]" 1
1153 1 20 VAL H 1 66 THR MG . . 7.020 3.852 3.511 4.195 . 0 0 "[ . 1 . 2]" 1
1154 1 20 VAL H 1 67 HIS H . . 5.000 3.544 3.259 3.835 . 0 0 "[ . 1 . 2]" 1
1155 1 20 VAL H 1 67 HIS HA . . 5.700 4.835 4.616 5.095 . 0 0 "[ . 1 . 2]" 1
1156 1 20 VAL HA 1 21 GLY H . . 2.800 2.108 2.065 2.231 . 0 0 "[ . 1 . 2]" 1
1157 1 20 VAL HA 1 22 ASN H . . 5.000 3.692 3.593 3.867 . 0 0 "[ . 1 . 2]" 1
1158 1 20 VAL HA 1 23 GLN H . . 5.700 4.708 4.478 5.002 . 0 0 "[ . 1 . 2]" 1
1159 1 20 VAL HA 1 29 ASN HD21 . . 5.700 3.614 2.912 4.375 . 0 0 "[ . 1 . 2]" 1
1160 1 20 VAL HA 1 29 ASN HD22 . . 5.700 2.131 1.763 4.133 . 0 0 "[ . 1 . 2]" 1
1161 1 20 VAL HB 1 21 GLY H . . 5.000 4.396 4.305 4.468 . 0 0 "[ . 1 . 2]" 1
1162 1 20 VAL HB 1 22 ASN H . . 5.700 4.889 4.643 5.043 . 0 0 "[ . 1 . 2]" 1
1163 1 20 VAL HB 1 65 VAL H . . 5.700 5.513 4.863 5.739 0.039 3 0 "[ . 1 . 2]" 1
1164 1 20 VAL HB 1 66 THR H . . 5.700 4.666 4.145 5.039 . 0 0 "[ . 1 . 2]" 1
1165 1 20 VAL HB 1 67 HIS H . . 5.000 4.226 3.674 5.028 0.028 9 0 "[ . 1 . 2]" 1
1166 1 20 VAL MG1 1 22 ASN H . . 6.320 4.558 4.443 4.818 . 0 0 "[ . 1 . 2]" 1
1167 1 20 VAL MG2 1 22 ASN H . . 6.320 5.114 5.057 5.222 . 0 0 "[ . 1 . 2]" 1
1168 1 21 GLY H 1 22 ASN H . . 3.500 2.630 2.451 2.801 . 0 0 "[ . 1 . 2]" 1
1169 1 21 GLY H 1 22 ASN HA . . 5.700 5.101 5.024 5.292 . 0 0 "[ . 1 . 2]" 1
1170 1 21 GLY H 1 23 GLN H . . 5.700 3.159 3.021 3.331 . 0 0 "[ . 1 . 2]" 1
1171 1 22 ASN H 1 23 GLN H . . 3.500 2.345 2.119 2.565 . 0 0 "[ . 1 . 2]" 1
1172 1 22 ASN HA 1 23 GLN H . . 3.500 3.065 2.920 3.207 . 0 0 "[ . 1 . 2]" 1
1173 1 22 ASN HD21 1 67 HIS HB2 . . 5.700 3.241 2.266 4.852 . 0 0 "[ . 1 . 2]" 1
1174 1 22 ASN HD21 1 67 HIS HB3 . . 5.700 4.190 2.970 5.812 0.112 18 0 "[ . 1 . 2]" 1
1175 1 22 ASN HD22 1 67 HIS HB2 . . 5.700 4.344 3.823 4.852 . 0 0 "[ . 1 . 2]" 1
1176 1 22 ASN HD22 1 67 HIS HB3 . . 5.700 5.035 4.496 5.710 0.010 15 0 "[ . 1 . 2]" 1
1177 1 23 GLN H 1 23 GLN HB2 . . 3.500 3.544 3.527 3.561 0.061 4 0 "[ . 1 . 2]" 1
1178 1 23 GLN H 1 23 GLN HB3 . . 3.500 2.534 2.358 2.976 . 0 0 "[ . 1 . 2]" 1
1179 1 23 GLN H 1 23 GLN HG2 . . 3.500 3.170 2.863 3.567 0.067 9 0 "[ . 1 . 2]" 1
1180 1 23 GLN H 1 23 GLN HG3 . . 3.500 2.342 1.901 2.512 . 0 0 "[ . 1 . 2]" 1
1181 1 23 GLN H 1 23 GLN HE21 . . 5.700 4.281 4.015 4.745 . 0 0 "[ . 1 . 2]" 1
1182 1 23 GLN H 1 23 GLN HE22 . . 5.700 5.476 4.447 5.740 0.040 17 0 "[ . 1 . 2]" 1
1183 1 23 GLN H 1 24 HIS H . . 5.700 4.457 4.405 4.526 . 0 0 "[ . 1 . 2]" 1
1184 1 23 GLN HA 1 24 HIS H . . 3.500 2.063 1.956 2.109 . 0 0 "[ . 1 . 2]" 1
1185 1 23 GLN HA 1 25 ILE H . . 5.000 3.898 3.644 4.219 . 0 0 "[ . 1 . 2]" 1
1186 1 23 GLN HB2 1 24 HIS H . . 5.000 3.297 2.828 3.450 . 0 0 "[ . 1 . 2]" 1
1187 1 23 GLN HB2 1 28 ASP H . . 5.700 3.566 2.934 4.176 . 0 0 "[ . 1 . 2]" 1
1188 1 23 GLN HB3 1 24 HIS H . . 5.000 4.082 3.579 4.242 . 0 0 "[ . 1 . 2]" 1
1189 1 23 GLN HB3 1 28 ASP H . . 5.700 4.917 4.123 5.462 . 0 0 "[ . 1 . 2]" 1
1190 1 23 GLN HG2 1 24 HIS H . . 5.700 5.519 5.126 5.621 . 0 0 "[ . 1 . 2]" 1
1191 1 23 GLN HG2 1 28 ASP H . . 5.700 4.841 3.975 5.152 . 0 0 "[ . 1 . 2]" 1
1192 1 23 GLN HG3 1 24 HIS H . . 5.700 4.817 4.663 5.289 . 0 0 "[ . 1 . 2]" 1
1193 1 23 GLN HG3 1 28 ASP H . . 5.700 5.675 5.415 5.751 0.051 15 0 "[ . 1 . 2]" 1
1194 1 23 GLN HE21 1 24 HIS HA . . 6.100 4.213 3.643 5.843 . 0 0 "[ . 1 . 2]" 1
1195 1 23 GLN HE21 1 26 PRO HA . . 5.000 3.269 2.204 3.625 . 0 0 "[ . 1 . 2]" 1
1196 1 23 GLN HE21 1 28 ASP H . . 5.000 4.707 3.025 5.071 0.071 13 0 "[ . 1 . 2]" 1
1197 1 23 GLN HE22 1 24 HIS HA . . 6.100 5.123 4.715 5.762 . 0 0 "[ . 1 . 2]" 1
1198 1 23 GLN HE22 1 26 PRO HA . . 5.000 1.907 1.769 2.343 . 0 0 "[ . 1 . 2]" 1
1199 1 23 GLN HE22 1 28 ASP H . . 5.000 4.384 4.147 5.014 0.014 11 0 "[ . 1 . 2]" 1
1200 1 24 HIS H 1 24 HIS HB2 . . 3.500 2.533 2.423 2.683 . 0 0 "[ . 1 . 2]" 1
1201 1 24 HIS H 1 24 HIS HB3 . . 3.500 2.477 2.393 2.547 . 0 0 "[ . 1 . 2]" 1
1202 1 24 HIS H 1 25 ILE H . . 2.800 2.424 2.262 2.603 . 0 0 "[ . 1 . 2]" 1
1203 1 24 HIS H 1 25 ILE HB . . 5.700 4.763 4.512 5.000 . 0 0 "[ . 1 . 2]" 1
1204 1 24 HIS H 1 25 ILE MG . . 7.020 5.782 5.633 5.972 . 0 0 "[ . 1 . 2]" 1
1205 1 24 HIS H 1 25 ILE MD . . 7.020 5.226 3.160 5.724 . 0 0 "[ . 1 . 2]" 1
1206 1 24 HIS HB2 1 25 ILE H . . 5.000 3.814 3.572 3.967 . 0 0 "[ . 1 . 2]" 1
1207 1 24 HIS HB3 1 25 ILE H . . 5.000 2.594 2.245 2.948 . 0 0 "[ . 1 . 2]" 1
1208 1 24 HIS HD2 1 25 ILE H . . 5.000 4.164 3.742 6.230 1.230 6 2 "[ .+ 1 - . 2]" 1
1209 1 25 ILE H 1 25 ILE HB . . 3.500 2.517 2.424 2.884 . 0 0 "[ . 1 . 2]" 1
1210 1 25 ILE H 1 25 ILE QG . . 5.000 2.812 2.535 3.639 . 0 0 "[ . 1 . 2]" 1
1211 1 25 ILE H 1 26 PRO HD2 . . 5.700 5.109 4.763 5.252 . 0 0 "[ . 1 . 2]" 1
1212 1 25 ILE H 1 26 PRO HD3 . . 5.700 4.492 4.252 5.028 . 0 0 "[ . 1 . 2]" 1
1213 1 25 ILE H 1 28 ASP H . . 5.000 4.308 3.973 4.652 . 0 0 "[ . 1 . 2]" 1
1214 1 25 ILE H 1 29 ASN HA . . 5.700 5.219 4.765 5.559 . 0 0 "[ . 1 . 2]" 1
1215 1 25 ILE H 1 32 TYR HB2 . . 5.700 4.740 4.575 5.070 . 0 0 "[ . 1 . 2]" 1
1216 1 25 ILE H 1 32 TYR HB3 . . 5.700 5.732 5.610 5.797 0.097 17 0 "[ . 1 . 2]" 1
1217 1 25 ILE HB 1 28 ASP H . . 5.000 3.674 3.388 3.845 . 0 0 "[ . 1 . 2]" 1
1218 1 25 ILE HB 1 30 SER H . . 5.700 4.919 4.444 5.190 . 0 0 "[ . 1 . 2]" 1
1219 1 25 ILE MG 1 27 GLY H . . 7.020 4.427 4.175 4.825 . 0 0 "[ . 1 . 2]" 1
1220 1 25 ILE MG 1 28 ASP H . . 6.320 3.241 2.559 3.982 . 0 0 "[ . 1 . 2]" 1
1221 1 25 ILE MG 1 30 SER H . . 7.020 5.857 5.502 6.298 . 0 0 "[ . 1 . 2]" 1
1222 1 26 PRO HA 1 27 GLY H . . 2.800 2.144 2.119 2.197 . 0 0 "[ . 1 . 2]" 1
1223 1 26 PRO HA 1 28 ASP H . . 5.000 3.655 3.578 3.819 . 0 0 "[ . 1 . 2]" 1
1224 1 27 GLY H 1 28 ASP H . . 3.500 2.327 2.212 2.612 . 0 0 "[ . 1 . 2]" 1
1225 1 27 GLY H 1 28 ASP HA . . 5.000 4.795 4.693 4.949 . 0 0 "[ . 1 . 2]" 1
1226 1 28 ASP H 1 28 ASP HB2 . . 3.500 2.972 2.821 3.102 . 0 0 "[ . 1 . 2]" 1
1227 1 28 ASP H 1 28 ASP HB3 . . 3.500 2.740 2.526 2.980 . 0 0 "[ . 1 . 2]" 1
1228 1 28 ASP H 1 29 ASN H . . 5.000 3.970 3.846 4.183 . 0 0 "[ . 1 . 2]" 1
1229 1 28 ASP HA 1 29 ASN H . . 3.500 2.139 2.084 2.220 . 0 0 "[ . 1 . 2]" 1
1230 1 28 ASP HA 1 30 SER H . . 5.000 3.918 3.678 4.443 . 0 0 "[ . 1 . 2]" 1
1231 1 28 ASP HB2 1 29 ASN H . . 5.000 4.528 4.459 4.592 . 0 0 "[ . 1 . 2]" 1
1232 1 28 ASP HB2 1 30 SER H . . 5.700 4.893 4.728 5.225 . 0 0 "[ . 1 . 2]" 1
1233 1 28 ASP HB3 1 29 ASN H . . 5.000 4.288 4.111 4.355 . 0 0 "[ . 1 . 2]" 1
1234 1 28 ASP HB3 1 30 SER H . . 5.700 3.682 3.305 3.940 . 0 0 "[ . 1 . 2]" 1
1235 1 29 ASN H 1 29 ASN HD21 . . 5.700 4.504 2.322 4.662 . 0 0 "[ . 1 . 2]" 1
1236 1 29 ASN H 1 29 ASN HD22 . . 5.700 5.630 3.564 5.780 0.080 13 0 "[ . 1 . 2]" 1
1237 1 29 ASN H 1 30 SER H . . 3.500 3.134 2.929 3.545 0.045 9 0 "[ . 1 . 2]" 1
1238 1 29 ASN H 1 64 GLU HA . . 5.700 5.557 4.692 5.779 0.079 8 0 "[ . 1 . 2]" 1
1239 1 29 ASN HD21 1 64 GLU H . . 5.700 4.957 4.127 5.504 . 0 0 "[ . 1 . 2]" 1
1240 1 29 ASN HD22 1 64 GLU H . . 5.700 5.643 4.450 5.776 0.076 6 0 "[ . 1 . 2]" 1
1241 1 30 SER H 1 31 ILE H . . 5.000 4.476 4.415 4.599 . 0 0 "[ . 1 . 2]" 1
1242 1 30 SER H 1 32 TYR QE . . 7.130 3.204 2.605 6.976 . 0 0 "[ . 1 . 2]" 1
1243 1 30 SER H 1 32 TYR QD . . 7.830 4.154 3.777 5.472 . 0 0 "[ . 1 . 2]" 1
1244 1 30 SER HA 1 31 ILE H . . 3.500 2.479 2.173 2.601 . 0 0 "[ . 1 . 2]" 1
1245 1 30 SER HB2 1 31 ILE H . . 5.000 3.353 3.081 3.557 . 0 0 "[ . 1 . 2]" 1
1246 1 30 SER HB3 1 31 ILE H . . 5.000 2.293 2.052 4.082 . 0 0 "[ . 1 . 2]" 1
1247 1 31 ILE H 1 31 ILE HB . . 3.500 2.585 2.300 2.796 . 0 0 "[ . 1 . 2]" 1
1248 1 31 ILE H 1 31 ILE HG12 . . 5.000 2.077 1.908 2.339 . 0 0 "[ . 1 . 2]" 1
1249 1 31 ILE H 1 31 ILE HG13 . . 5.000 3.581 3.475 3.688 . 0 0 "[ . 1 . 2]" 1
1250 1 31 ILE H 1 53 LYS HA . . 5.000 4.601 4.297 4.913 . 0 0 "[ . 1 . 2]" 1
1251 1 31 ILE H 1 54 LEU H . . 5.700 3.630 3.203 3.971 . 0 0 "[ . 1 . 2]" 1
1252 1 31 ILE H 1 54 LEU HB2 . . 5.700 3.776 3.237 4.239 . 0 0 "[ . 1 . 2]" 1
1253 1 31 ILE H 1 54 LEU HB3 . . 5.700 5.309 4.792 5.709 0.009 8 0 "[ . 1 . 2]" 1
1254 1 31 ILE H 1 62 LEU HG . . 5.700 5.692 5.103 5.799 0.099 4 0 "[ . 1 . 2]" 1
1255 1 31 ILE H 1 70 ALA MB . . 7.020 5.114 4.830 5.351 . 0 0 "[ . 1 . 2]" 1
1256 1 31 ILE HA 1 32 TYR H . . 2.800 2.255 2.136 2.314 . 0 0 "[ . 1 . 2]" 1
1257 1 31 ILE HB 1 32 TYR H . . 5.000 4.031 3.751 4.252 . 0 0 "[ . 1 . 2]" 1
1258 1 31 ILE HB 1 54 LEU H . . 5.000 2.992 2.800 3.277 . 0 0 "[ . 1 . 2]" 1
1259 1 31 ILE MG 1 32 TYR H . . 4.820 2.729 2.496 2.908 . 0 0 "[ . 1 . 2]" 1
1260 1 31 ILE MD 1 32 TYR H . . 6.320 4.139 3.623 4.420 . 0 0 "[ . 1 . 2]" 1
1261 1 31 ILE MD 1 67 HIS H . . 7.020 4.557 4.187 4.996 . 0 0 "[ . 1 . 2]" 1
1262 1 32 TYR H 1 32 TYR QD . . 5.630 3.154 2.921 4.244 . 0 0 "[ . 1 . 2]" 1
1263 1 32 TYR H 1 33 VAL H . . 5.000 4.329 4.269 4.376 . 0 0 "[ . 1 . 2]" 1
1264 1 32 TYR HA 1 33 VAL H . . 2.800 2.099 2.043 2.212 . 0 0 "[ . 1 . 2]" 1
1265 1 32 TYR HA 1 34 THR H . . 6.100 5.704 5.559 5.883 . 0 0 "[ . 1 . 2]" 1
1266 1 32 TYR HA 1 54 LEU H . . 5.000 3.218 2.989 3.382 . 0 0 "[ . 1 . 2]" 1
1267 1 32 TYR QE 1 33 VAL H . . 7.830 5.560 4.789 5.815 . 0 0 "[ . 1 . 2]" 1
1268 1 32 TYR QE 1 54 LEU H . . 7.830 5.281 5.004 6.055 . 0 0 "[ . 1 . 2]" 1
1269 1 32 TYR QD 1 33 VAL H . . 7.130 3.761 3.598 3.944 . 0 0 "[ . 1 . 2]" 1
1270 1 32 TYR QD 1 54 LEU H . . 7.830 4.609 3.988 4.862 . 0 0 "[ . 1 . 2]" 1
1271 1 33 VAL H 1 33 VAL HB . . 3.500 2.560 2.523 2.620 . 0 0 "[ . 1 . 2]" 1
1272 1 33 VAL H 1 34 THR H . . 5.000 4.416 4.333 4.492 . 0 0 "[ . 1 . 2]" 1
1273 1 33 VAL H 1 50 ILE HA . . 5.000 4.925 4.817 5.032 0.032 13 0 "[ . 1 . 2]" 1
1274 1 33 VAL H 1 51 GLY H . . 5.000 3.506 3.339 3.642 . 0 0 "[ . 1 . 2]" 1
1275 1 33 VAL H 1 52 ASP H . . 5.000 3.487 3.217 3.841 . 0 0 "[ . 1 . 2]" 1
1276 1 33 VAL H 1 53 LYS H . . 5.700 5.008 4.901 5.097 . 0 0 "[ . 1 . 2]" 1
1277 1 33 VAL H 1 54 LEU H . . 5.000 4.462 4.245 4.718 . 0 0 "[ . 1 . 2]" 1
1278 1 33 VAL HA 1 34 THR H . . 3.500 2.139 2.089 2.179 . 0 0 "[ . 1 . 2]" 1
1279 1 33 VAL HB 1 34 THR H . . 5.700 4.253 4.179 4.308 . 0 0 "[ . 1 . 2]" 1
1280 1 33 VAL HB 1 51 GLY H . . 5.000 2.361 1.966 2.630 . 0 0 "[ . 1 . 2]" 1
1281 1 33 VAL HB 1 52 ASP H . . 5.000 2.513 2.282 2.910 . 0 0 "[ . 1 . 2]" 1
1282 1 33 VAL MG1 1 52 ASP H . . 6.320 3.945 3.780 4.341 . 0 0 "[ . 1 . 2]" 1
1283 1 33 VAL MG2 1 52 ASP H . . 6.320 3.367 3.181 3.725 . 0 0 "[ . 1 . 2]" 1
1284 1 34 THR H 1 35 LYS H . . 2.800 2.134 2.061 2.330 . 0 0 "[ . 1 . 2]" 1
1285 1 34 THR H 1 50 ILE MG . . 6.320 4.185 4.060 4.425 . 0 0 "[ . 1 . 2]" 1
1286 1 34 THR HA 1 35 LYS H . . 3.500 3.486 3.459 3.519 0.019 7 0 "[ . 1 . 2]" 1
1287 1 34 THR HB 1 35 LYS H . . 5.700 2.972 2.732 3.211 . 0 0 "[ . 1 . 2]" 1
1288 1 34 THR MG 1 35 LYS H . . 4.820 3.932 3.821 4.090 . 0 0 "[ . 1 . 2]" 1
1289 1 35 LYS H 1 35 LYS HG2 . . 5.000 4.310 3.112 4.850 . 0 0 "[ . 1 . 2]" 1
1290 1 35 LYS H 1 35 LYS HG3 . . 5.000 4.480 3.477 5.052 0.052 7 0 "[ . 1 . 2]" 1
1291 1 35 LYS H 1 36 ILE H . . 5.000 4.244 4.112 4.379 . 0 0 "[ . 1 . 2]" 1
1292 1 35 LYS H 1 36 ILE MD . . 7.020 5.457 5.086 5.739 . 0 0 "[ . 1 . 2]" 1
1293 1 35 LYS HA 1 36 ILE H . . 3.500 2.312 2.227 2.378 . 0 0 "[ . 1 . 2]" 1
1294 1 36 ILE H 1 36 ILE HB . . 3.500 2.735 2.597 2.901 . 0 0 "[ . 1 . 2]" 1
1295 1 36 ILE H 1 36 ILE QG . . 5.000 2.847 2.571 3.105 . 0 0 "[ . 1 . 2]" 1
1296 1 36 ILE H 1 37 ILE H . . 5.000 4.220 4.009 4.397 . 0 0 "[ . 1 . 2]" 1
1297 1 36 ILE H 1 50 ILE MG . . 6.320 4.677 4.285 4.965 . 0 0 "[ . 1 . 2]" 1
1298 1 36 ILE H 1 50 ILE HG12 . . 5.000 3.219 2.796 3.573 . 0 0 "[ . 1 . 2]" 1
1299 1 36 ILE H 1 50 ILE HG13 . . 5.000 3.898 3.469 4.178 . 0 0 "[ . 1 . 2]" 1
1300 1 36 ILE H 1 50 ILE MD . . 6.320 2.480 2.071 2.895 . 0 0 "[ . 1 . 2]" 1
1301 1 36 ILE HA 1 37 ILE H . . 3.500 2.169 2.073 2.317 . 0 0 "[ . 1 . 2]" 1
1302 1 36 ILE HB 1 37 ILE H . . 5.700 4.162 3.980 4.323 . 0 0 "[ . 1 . 2]" 1
1303 1 36 ILE MG 1 37 ILE H . . 4.820 2.644 2.309 2.985 . 0 0 "[ . 1 . 2]" 1
1304 1 36 ILE MG 1 39 GLY H . . 7.020 5.008 4.363 5.501 . 0 0 "[ . 1 . 2]" 1
1305 1 36 ILE MG 1 42 ALA H . . 6.320 4.385 3.999 4.841 . 0 0 "[ . 1 . 2]" 1
1306 1 36 ILE MG 1 43 HIS H . . 4.820 3.409 3.230 3.645 . 0 0 "[ . 1 . 2]" 1
1307 1 36 ILE MG 1 44 LYS H . . 6.320 4.714 4.535 4.864 . 0 0 "[ . 1 . 2]" 1
1308 1 36 ILE QG 1 50 ILE H . . 5.700 4.003 3.845 4.148 . 0 0 "[ . 1 . 2]" 1
1309 1 36 ILE MD 1 37 ILE H . . 7.020 5.137 4.945 5.333 . 0 0 "[ . 1 . 2]" 1
1310 1 36 ILE MD 1 43 HIS H . . 7.420 5.296 4.912 5.710 . 0 0 "[ . 1 . 2]" 1
1311 1 36 ILE MD 1 48 LEU H . . 7.020 3.731 3.478 4.067 . 0 0 "[ . 1 . 2]" 1
1312 1 36 ILE MD 1 49 GLN H . . 7.020 3.598 3.368 3.888 . 0 0 "[ . 1 . 2]" 1
1313 1 36 ILE MD 1 50 ILE H . . 4.820 2.957 2.766 3.204 . 0 0 "[ . 1 . 2]" 1
1314 1 36 ILE MD 1 51 GLY H . . 7.020 5.152 4.947 5.417 . 0 0 "[ . 1 . 2]" 1
1315 1 37 ILE H 1 37 ILE HB . . 3.500 2.460 2.374 2.523 . 0 0 "[ . 1 . 2]" 1
1316 1 37 ILE H 1 37 ILE HG12 . . 5.000 2.332 2.128 2.547 . 0 0 "[ . 1 . 2]" 1
1317 1 37 ILE H 1 37 ILE HG13 . . 5.000 3.732 3.575 3.909 . 0 0 "[ . 1 . 2]" 1
1318 1 37 ILE H 1 38 GLU H . . 5.000 4.494 4.377 4.600 . 0 0 "[ . 1 . 2]" 1
1319 1 37 ILE H 1 42 ALA MB . . 7.020 4.725 4.123 5.420 . 0 0 "[ . 1 . 2]" 1
1320 1 37 ILE HA 1 38 GLU H . . 2.800 2.162 1.942 2.301 . 0 0 "[ . 1 . 2]" 1
1321 1 37 ILE HB 1 40 GLY H . . 5.700 3.947 3.533 4.218 . 0 0 "[ . 1 . 2]" 1
1322 1 37 ILE MG 1 38 GLU H . . 4.820 2.613 2.348 3.016 . 0 0 "[ . 1 . 2]" 1
1323 1 37 ILE MG 1 39 GLY H . . 7.020 4.767 4.253 5.014 . 0 0 "[ . 1 . 2]" 1
1324 1 37 ILE MG 1 40 GLY H . . 6.320 3.535 2.833 3.984 . 0 0 "[ . 1 . 2]" 1
1325 1 37 ILE HG12 1 38 GLU H . . 5.700 5.077 4.834 5.300 . 0 0 "[ . 1 . 2]" 1
1326 1 37 ILE HG13 1 38 GLU H . . 5.700 5.336 5.109 5.733 0.033 5 0 "[ . 1 . 2]" 1
1327 1 37 ILE MD 1 38 GLU H . . 6.320 3.670 3.321 4.039 . 0 0 "[ . 1 . 2]" 1
1328 1 38 GLU H 1 38 GLU QB . . 3.500 2.531 2.294 2.831 . 0 0 "[ . 1 . 2]" 1
1329 1 38 GLU H 1 39 GLY H . . 5.000 4.452 4.226 4.539 . 0 0 "[ . 1 . 2]" 1
1330 1 38 GLU H 1 40 GLY H . . 5.700 4.420 4.166 4.500 . 0 0 "[ . 1 . 2]" 1
1331 1 38 GLU HA 1 40 GLY H . . 3.500 3.245 2.974 3.496 . 0 0 "[ . 1 . 2]" 1
1332 1 38 GLU QB 1 39 GLY H . . 5.000 3.095 2.827 3.458 . 0 0 "[ . 1 . 2]" 1
1333 1 38 GLU QG 1 39 GLY H . . 7.480 4.368 3.927 4.821 . 0 0 "[ . 1 . 2]" 1
1334 1 38 GLU QG 1 40 GLY H . . 8.180 5.148 4.864 5.535 . 0 0 "[ . 1 . 2]" 1
1335 1 39 GLY H 1 40 GLY H . . 3.500 2.563 2.374 2.756 . 0 0 "[ . 1 . 2]" 1
1336 1 39 GLY H 1 43 HIS H . . 5.700 5.235 4.525 5.717 0.017 13 0 "[ . 1 . 2]" 1
1337 1 39 GLY H 1 43 HIS HB2 . . 5.000 3.879 3.177 4.386 . 0 0 "[ . 1 . 2]" 1
1338 1 39 GLY H 1 43 HIS HB3 . . 5.000 2.980 2.427 3.559 . 0 0 "[ . 1 . 2]" 1
1339 1 39 GLY H 1 43 HIS HD2 . . 5.700 3.217 2.047 5.088 . 0 0 "[ . 1 . 2]" 1
1340 1 39 GLY H 1 44 LYS H . . 5.700 5.139 3.894 5.745 0.045 1 0 "[ . 1 . 2]" 1
1341 1 40 GLY H 1 41 ALA H . . 5.000 4.552 4.454 4.604 . 0 0 "[ . 1 . 2]" 1
1342 1 40 GLY H 1 42 ALA H . . 5.700 5.269 5.066 5.430 . 0 0 "[ . 1 . 2]" 1
1343 1 40 GLY H 1 43 HIS H . . 5.000 3.983 3.796 4.212 . 0 0 "[ . 1 . 2]" 1
1344 1 40 GLY H 1 44 LYS H . . 5.000 4.725 4.444 5.003 0.003 7 0 "[ . 1 . 2]" 1
1345 1 40 GLY H 1 44 LYS QD . . 8.180 5.940 4.635 7.608 . 0 0 "[ . 1 . 2]" 1
1346 1 40 GLY HA2 1 41 ALA H . . 3.500 2.320 2.158 2.468 . 0 0 "[ . 1 . 2]" 1
1347 1 40 GLY HA2 1 42 ALA H . . 5.000 4.197 3.737 4.570 . 0 0 "[ . 1 . 2]" 1
1348 1 40 GLY HA3 1 41 ALA H . . 3.500 2.834 2.658 3.061 . 0 0 "[ . 1 . 2]" 1
1349 1 40 GLY HA3 1 42 ALA H . . 5.000 3.466 3.241 3.654 . 0 0 "[ . 1 . 2]" 1
1350 1 41 ALA H 1 42 ALA H . . 3.500 2.614 2.524 2.761 . 0 0 "[ . 1 . 2]" 1
1351 1 41 ALA H 1 42 ALA MB . . 6.320 4.373 4.274 4.515 . 0 0 "[ . 1 . 2]" 1
1352 1 41 ALA H 1 43 HIS H . . 5.700 3.862 3.705 4.059 . 0 0 "[ . 1 . 2]" 1
1353 1 41 ALA H 1 45 ASP H . . 5.700 5.641 5.513 5.730 0.030 8 0 "[ . 1 . 2]" 1
1354 1 41 ALA HA 1 45 ASP H . . 5.000 3.266 3.028 3.436 . 0 0 "[ . 1 . 2]" 1
1355 1 41 ALA MB 1 42 ALA H . . 4.820 2.567 2.448 2.894 . 0 0 "[ . 1 . 2]" 1
1356 1 41 ALA MB 1 43 HIS H . . 7.020 4.217 4.127 4.360 . 0 0 "[ . 1 . 2]" 1
1357 1 42 ALA H 1 43 HIS H . . 3.500 2.596 2.494 2.676 . 0 0 "[ . 1 . 2]" 1
1358 1 42 ALA H 1 44 LYS H . . 5.000 4.148 3.906 4.312 . 0 0 "[ . 1 . 2]" 1
1359 1 42 ALA H 1 45 ASP H . . 5.700 4.874 4.804 4.959 . 0 0 "[ . 1 . 2]" 1
1360 1 42 ALA HA 1 45 ASP H . . 5.000 3.896 3.653 4.102 . 0 0 "[ . 1 . 2]" 1
1361 1 42 ALA MB 1 43 HIS H . . 4.820 3.185 3.042 3.265 . 0 0 "[ . 1 . 2]" 1
1362 1 42 ALA MB 1 44 LYS H . . 6.320 4.704 4.472 4.911 . 0 0 "[ . 1 . 2]" 1
1363 1 42 ALA MB 1 45 ASP H . . 7.020 5.160 5.014 5.274 . 0 0 "[ . 1 . 2]" 1
1364 1 42 ALA MB 1 46 GLY H . . 6.320 4.047 3.779 4.291 . 0 0 "[ . 1 . 2]" 1
1365 1 42 ALA MB 1 48 LEU H . . 6.320 4.495 3.835 5.173 . 0 0 "[ . 1 . 2]" 1
1366 1 43 HIS H 1 43 HIS HD2 . . 5.700 4.950 4.537 5.406 . 0 0 "[ . 1 . 2]" 1
1367 1 43 HIS H 1 44 LYS H . . 3.500 2.139 2.077 2.274 . 0 0 "[ . 1 . 2]" 1
1368 1 43 HIS H 1 44 LYS HA . . 5.700 4.853 4.793 4.964 . 0 0 "[ . 1 . 2]" 1
1369 1 43 HIS H 1 45 ASP H . . 5.700 3.962 3.744 4.129 . 0 0 "[ . 1 . 2]" 1
1370 1 43 HIS H 1 46 GLY H . . 5.700 3.829 3.665 4.033 . 0 0 "[ . 1 . 2]" 1
1371 1 43 HIS HA 1 46 GLY H . . 5.000 4.512 4.260 4.817 . 0 0 "[ . 1 . 2]" 1
1372 1 43 HIS HD2 1 44 LYS H . . 5.700 4.564 3.660 6.268 0.568 9 2 "[ .- +1 . 2]" 1
1373 1 44 LYS H 1 44 LYS HB2 . . 4.000 2.480 2.345 2.678 . 0 0 "[ . 1 . 2]" 1
1374 1 44 LYS H 1 44 LYS HB3 . . 4.000 3.511 2.314 3.703 . 0 0 "[ . 1 . 2]" 1
1375 1 44 LYS H 1 44 LYS HG2 . . 5.000 2.994 2.332 4.689 . 0 0 "[ . 1 . 2]" 1
1376 1 44 LYS H 1 44 LYS HG3 . . 5.000 3.733 2.361 4.654 . 0 0 "[ . 1 . 2]" 1
1377 1 44 LYS H 1 45 ASP H . . 3.500 2.501 2.326 2.627 . 0 0 "[ . 1 . 2]" 1
1378 1 44 LYS H 1 45 ASP HB2 . . 5.700 4.878 4.226 5.248 . 0 0 "[ . 1 . 2]" 1
1379 1 44 LYS H 1 45 ASP HB3 . . 5.700 4.847 4.433 5.780 0.080 6 0 "[ . 1 . 2]" 1
1380 1 44 LYS H 1 46 GLY H . . 5.000 3.259 2.908 3.455 . 0 0 "[ . 1 . 2]" 1
1381 1 44 LYS HA 1 45 ASP H . . 3.500 3.517 3.475 3.538 0.038 7 0 "[ . 1 . 2]" 1
1382 1 44 LYS HB2 1 45 ASP H . . 3.500 2.382 1.821 3.554 0.054 1 0 "[ . 1 . 2]" 1
1383 1 44 LYS HB2 1 46 GLY H . . 5.000 4.261 3.731 5.088 0.088 1 0 "[ . 1 . 2]" 1
1384 1 44 LYS HB3 1 45 ASP H . . 3.500 3.117 2.043 3.447 . 0 0 "[ . 1 . 2]" 1
1385 1 44 LYS HB3 1 46 GLY H . . 5.000 4.939 3.851 5.115 0.115 14 0 "[ . 1 . 2]" 1
1386 1 44 LYS QD 1 45 ASP H . . 7.480 4.589 2.716 5.332 . 0 0 "[ . 1 . 2]" 1
1387 1 45 ASP H 1 45 ASP HB2 . . 3.500 2.508 2.229 2.700 . 0 0 "[ . 1 . 2]" 1
1388 1 45 ASP H 1 45 ASP HB3 . . 3.500 2.610 2.215 3.523 0.023 6 0 "[ . 1 . 2]" 1
1389 1 45 ASP H 1 47 LYS H . . 5.000 4.606 4.081 4.911 . 0 0 "[ . 1 . 2]" 1
1390 1 45 ASP HA 1 46 GLY H . . 3.500 3.327 3.241 3.380 . 0 0 "[ . 1 . 2]" 1
1391 1 45 ASP HA 1 47 LYS H . . 5.700 4.213 3.930 4.698 . 0 0 "[ . 1 . 2]" 1
1392 1 45 ASP HB2 1 46 GLY H . . 3.500 3.351 2.424 3.632 0.132 18 0 "[ . 1 . 2]" 1
1393 1 45 ASP HB2 1 47 LYS H . . 5.700 5.667 5.083 5.807 0.107 20 0 "[ . 1 . 2]" 1
1394 1 45 ASP HB3 1 46 GLY H . . 3.500 2.642 2.282 3.636 0.136 3 0 "[ . 1 . 2]" 1
1395 1 45 ASP HB3 1 47 LYS H . . 5.700 5.035 4.797 5.713 0.013 10 0 "[ . 1 . 2]" 1
1396 1 46 GLY H 1 47 LYS H . . 3.500 3.095 2.582 3.319 . 0 0 "[ . 1 . 2]" 1
1397 1 46 GLY H 1 48 LEU H . . 5.700 4.941 4.486 5.203 . 0 0 "[ . 1 . 2]" 1
1398 1 46 GLY H 1 48 LEU HB2 . . 5.700 5.611 5.103 5.761 0.061 18 0 "[ . 1 . 2]" 1
1399 1 46 GLY H 1 48 LEU HB3 . . 5.700 5.668 5.348 5.728 0.028 14 0 "[ . 1 . 2]" 1
1400 1 47 LYS H 1 47 LYS HB2 . . 4.000 3.974 3.888 4.069 0.069 10 0 "[ . 1 . 2]" 1
1401 1 47 LYS H 1 47 LYS HB3 . . 4.000 2.987 2.889 3.223 . 0 0 "[ . 1 . 2]" 1
1402 1 47 LYS H 1 47 LYS HG2 . . 5.000 4.297 3.359 4.766 . 0 0 "[ . 1 . 2]" 1
1403 1 47 LYS H 1 47 LYS HG3 . . 5.000 4.945 4.456 5.068 0.068 6 0 "[ . 1 . 2]" 1
1404 1 47 LYS H 1 47 LYS HE2 . . 5.700 5.083 3.072 5.732 0.032 18 0 "[ . 1 . 2]" 1
1405 1 47 LYS H 1 47 LYS HE3 . . 5.700 4.037 3.445 5.648 . 0 0 "[ . 1 . 2]" 1
1406 1 47 LYS H 1 48 LEU H . . 3.500 2.934 2.839 3.026 . 0 0 "[ . 1 . 2]" 1
1407 1 47 LYS H 1 48 LEU HB2 . . 5.700 4.710 4.468 4.831 . 0 0 "[ . 1 . 2]" 1
1408 1 47 LYS H 1 48 LEU HB3 . . 5.700 4.846 4.538 5.062 . 0 0 "[ . 1 . 2]" 1
1409 1 47 LYS HB2 1 48 LEU H . . 5.000 4.518 4.387 4.574 . 0 0 "[ . 1 . 2]" 1
1410 1 47 LYS HB3 1 48 LEU H . . 5.000 4.641 4.601 4.683 . 0 0 "[ . 1 . 2]" 1
1411 1 48 LEU H 1 48 LEU HB2 . . 3.500 2.738 2.491 2.971 . 0 0 "[ . 1 . 2]" 1
1412 1 48 LEU H 1 48 LEU HB3 . . 3.500 2.419 2.344 2.505 . 0 0 "[ . 1 . 2]" 1
1413 1 48 LEU H 1 48 LEU HG . . 5.000 4.447 4.389 4.733 . 0 0 "[ . 1 . 2]" 1
1414 1 48 LEU H 1 49 GLN H . . 5.000 4.512 4.357 4.642 . 0 0 "[ . 1 . 2]" 1
1415 1 48 LEU HA 1 49 GLN H . . 2.800 2.363 2.293 2.414 . 0 0 "[ . 1 . 2]" 1
1416 1 48 LEU HG 1 49 GLN H . . 5.000 2.565 2.199 4.337 . 0 0 "[ . 1 . 2]" 1
1417 1 48 LEU HG 1 52 ASP H . . 5.700 4.750 4.423 5.811 0.111 8 0 "[ . 1 . 2]" 1
1418 1 49 GLN H 1 49 GLN HG2 . . 5.000 4.099 3.736 4.502 . 0 0 "[ . 1 . 2]" 1
1419 1 49 GLN H 1 49 GLN HG3 . . 5.000 3.100 2.431 4.627 . 0 0 "[ . 1 . 2]" 1
1420 1 49 GLN H 1 50 ILE H . . 5.000 4.389 4.334 4.427 . 0 0 "[ . 1 . 2]" 1
1421 1 49 GLN H 1 52 ASP H . . 5.000 4.310 4.115 4.465 . 0 0 "[ . 1 . 2]" 1
1422 1 49 GLN H 1 52 ASP HB2 . . 5.700 3.326 3.078 3.488 . 0 0 "[ . 1 . 2]" 1
1423 1 49 GLN H 1 52 ASP HB3 . . 5.700 4.343 4.051 4.536 . 0 0 "[ . 1 . 2]" 1
1424 1 49 GLN HA 1 49 GLN HE21 . . 5.700 4.415 3.023 4.873 . 0 0 "[ . 1 . 2]" 1
1425 1 49 GLN HA 1 49 GLN HE22 . . 5.700 5.578 4.451 5.845 0.145 1 0 "[ . 1 . 2]" 1
1426 1 49 GLN HA 1 50 ILE H . . 2.800 2.239 2.174 2.305 . 0 0 "[ . 1 . 2]" 1
1427 1 49 GLN HB2 1 49 GLN HE22 . . 5.000 4.014 3.327 4.965 . 0 0 "[ . 1 . 2]" 1
1428 1 49 GLN HB3 1 49 GLN HE22 . . 5.000 4.243 3.736 5.111 0.111 12 0 "[ . 1 . 2]" 1
1429 1 49 GLN HE22 1 49 GLN HG2 . . 4.000 3.772 3.410 4.026 0.026 8 0 "[ . 1 . 2]" 1
1430 1 49 GLN HG2 1 50 ILE H . . 5.700 4.259 3.587 4.818 . 0 0 "[ . 1 . 2]" 1
1431 1 49 GLN HE22 1 49 GLN HG3 . . 4.000 3.679 3.399 4.024 0.024 9 0 "[ . 1 . 2]" 1
1432 1 49 GLN HG3 1 50 ILE H . . 5.700 4.797 4.061 5.064 . 0 0 "[ . 1 . 2]" 1
1433 1 50 ILE H 1 50 ILE HB . . 3.500 2.485 2.434 2.544 . 0 0 "[ . 1 . 2]" 1
1434 1 50 ILE H 1 50 ILE HG12 . . 3.500 3.534 3.463 3.615 0.115 5 0 "[ . 1 . 2]" 1
1435 1 50 ILE H 1 50 ILE HG13 . . 3.500 2.292 2.211 2.376 . 0 0 "[ . 1 . 2]" 1
1436 1 50 ILE H 1 50 ILE MD . . 4.820 3.664 3.625 3.705 . 0 0 "[ . 1 . 2]" 1
1437 1 50 ILE H 1 51 GLY H . . 5.000 4.515 4.473 4.576 . 0 0 "[ . 1 . 2]" 1
1438 1 50 ILE H 1 52 ASP H . . 5.700 4.795 4.684 4.924 . 0 0 "[ . 1 . 2]" 1
1439 1 50 ILE HA 1 51 GLY H . . 2.800 2.230 2.166 2.333 . 0 0 "[ . 1 . 2]" 1
1440 1 50 ILE HA 1 52 ASP H . . 3.500 3.337 3.161 3.465 . 0 0 "[ . 1 . 2]" 1
1441 1 50 ILE HB 1 51 GLY H . . 5.000 4.279 4.215 4.338 . 0 0 "[ . 1 . 2]" 1
1442 1 50 ILE HB 1 52 ASP H . . 5.700 5.540 5.460 5.651 . 0 0 "[ . 1 . 2]" 1
1443 1 50 ILE MG 1 51 GLY H . . 4.820 2.783 2.677 2.863 . 0 0 "[ . 1 . 2]" 1
1444 1 50 ILE MG 1 52 ASP H . . 6.320 4.505 4.397 4.594 . 0 0 "[ . 1 . 2]" 1
1445 1 51 GLY H 1 52 ASP H . . 2.800 2.245 2.120 2.431 . 0 0 "[ . 1 . 2]" 1
1446 1 51 GLY HA2 1 52 ASP H . . 3.500 3.335 3.232 3.440 . 0 0 "[ . 1 . 2]" 1
1447 1 51 GLY HA3 1 52 ASP H . . 3.500 3.221 3.069 3.277 . 0 0 "[ . 1 . 2]" 1
1448 1 52 ASP H 1 52 ASP HB2 . . 3.500 2.232 2.110 2.291 . 0 0 "[ . 1 . 2]" 1
1449 1 52 ASP H 1 52 ASP HB3 . . 3.500 3.517 3.430 3.549 0.049 2 0 "[ . 1 . 2]" 1
1450 1 52 ASP H 1 53 LYS H . . 5.000 4.559 4.509 4.621 . 0 0 "[ . 1 . 2]" 1
1451 1 52 ASP HA 1 53 LYS H . . 2.800 2.109 2.041 2.189 . 0 0 "[ . 1 . 2]" 1
1452 1 52 ASP HB2 1 53 LYS H . . 5.000 4.197 4.097 4.398 . 0 0 "[ . 1 . 2]" 1
1453 1 52 ASP HB3 1 53 LYS H . . 5.000 3.057 2.892 3.411 . 0 0 "[ . 1 . 2]" 1
1454 1 53 LYS H 1 53 LYS HG2 . . 5.700 4.194 4.074 4.379 . 0 0 "[ . 1 . 2]" 1
1455 1 53 LYS H 1 53 LYS HG3 . . 5.700 4.647 4.575 4.796 . 0 0 "[ . 1 . 2]" 1
1456 1 53 LYS H 1 54 LEU H . . 5.000 4.328 4.273 4.425 . 0 0 "[ . 1 . 2]" 1
1457 1 53 LYS H 1 85 VAL HA . . 5.700 4.812 4.506 5.128 . 0 0 "[ . 1 . 2]" 1
1458 1 53 LYS H 1 85 VAL HB . . 5.700 5.143 4.884 5.511 . 0 0 "[ . 1 . 2]" 1
1459 1 53 LYS H 1 85 VAL MG1 . . 6.320 4.498 2.241 5.324 . 0 0 "[ . 1 . 2]" 1
1460 1 53 LYS H 1 85 VAL MG2 . . 6.320 2.851 2.420 4.504 . 0 0 "[ . 1 . 2]" 1
1461 1 53 LYS H 1 86 ALA H . . 5.000 3.569 3.192 3.964 . 0 0 "[ . 1 . 2]" 1
1462 1 53 LYS H 1 86 ALA MB . . 7.020 4.699 4.348 5.169 . 0 0 "[ . 1 . 2]" 1
1463 1 53 LYS H 1 88 PRO QG . . 8.190 5.176 4.110 5.988 . 0 0 "[ . 1 . 2]" 1
1464 1 53 LYS HA 1 54 LEU H . . 3.500 2.121 2.071 2.187 . 0 0 "[ . 1 . 2]" 1
1465 1 53 LYS HB2 1 86 ALA H . . 5.700 4.829 4.562 5.106 . 0 0 "[ . 1 . 2]" 1
1466 1 53 LYS HB3 1 86 ALA H . . 5.700 3.229 2.874 3.631 . 0 0 "[ . 1 . 2]" 1
1467 1 54 LEU H 1 54 LEU HG . . 5.000 2.684 2.366 3.611 . 0 0 "[ . 1 . 2]" 1
1468 1 54 LEU H 1 54 LEU MD1 . . 4.820 3.408 1.895 3.884 . 0 0 "[ . 1 . 2]" 1
1469 1 54 LEU H 1 54 LEU MD2 . . 4.820 3.520 3.222 4.087 . 0 0 "[ . 1 . 2]" 1
1470 1 54 LEU H 1 55 LEU H . . 5.000 4.284 4.220 4.347 . 0 0 "[ . 1 . 2]" 1
1471 1 54 LEU HA 1 55 LEU H . . 3.500 2.013 1.940 2.138 . 0 0 "[ . 1 . 2]" 1
1472 1 54 LEU HA 1 56 ALA H . . 5.000 3.550 3.432 3.726 . 0 0 "[ . 1 . 2]" 1
1473 1 54 LEU HA 1 85 VAL H . . 5.700 4.944 4.779 5.169 . 0 0 "[ . 1 . 2]" 1
1474 1 54 LEU HA 1 86 ALA H . . 5.700 3.679 3.436 4.043 . 0 0 "[ . 1 . 2]" 1
1475 1 54 LEU HG 1 55 LEU H . . 5.000 4.980 4.743 5.056 0.056 6 0 "[ . 1 . 2]" 1
1476 1 55 LEU H 1 55 LEU HG . . 5.000 4.252 2.630 4.526 . 0 0 "[ . 1 . 2]" 1
1477 1 55 LEU H 1 56 ALA H . . 2.800 2.216 2.145 2.276 . 0 0 "[ . 1 . 2]" 1
1478 1 55 LEU H 1 84 LYS H . . 5.000 4.538 4.245 4.724 . 0 0 "[ . 1 . 2]" 1
1479 1 55 LEU H 1 84 LYS QB . . 7.480 3.869 3.311 4.125 . 0 0 "[ . 1 . 2]" 1
1480 1 55 LEU H 1 85 VAL HA . . 3.500 2.307 2.185 2.508 . 0 0 "[ . 1 . 2]" 1
1481 1 55 LEU H 1 85 VAL HB . . 5.700 4.543 4.144 5.439 . 0 0 "[ . 1 . 2]" 1
1482 1 55 LEU HA 1 63 GLU H . . 5.700 4.117 3.657 4.610 . 0 0 "[ . 1 . 2]" 1
1483 1 55 LEU HB2 1 56 ALA H . . 5.000 3.517 2.494 3.719 . 0 0 "[ . 1 . 2]" 1
1484 1 55 LEU HB3 1 56 ALA H . . 5.000 2.640 2.395 3.536 . 0 0 "[ . 1 . 2]" 1
1485 1 56 ALA H 1 57 VAL H . . 5.700 4.279 4.218 4.322 . 0 0 "[ . 1 . 2]" 1
1486 1 56 ALA H 1 62 LEU H . . 5.700 4.262 4.083 4.432 . 0 0 "[ . 1 . 2]" 1
1487 1 56 ALA H 1 84 LYS H . . 5.000 3.291 3.050 3.470 . 0 0 "[ . 1 . 2]" 1
1488 1 56 ALA H 1 84 LYS QB . . 5.780 2.534 2.012 2.866 . 0 0 "[ . 1 . 2]" 1
1489 1 56 ALA HA 1 57 VAL H . . 3.500 2.301 2.246 2.337 . 0 0 "[ . 1 . 2]" 1
1490 1 56 ALA HA 1 61 CYS H . . 5.700 4.859 4.724 4.949 . 0 0 "[ . 1 . 2]" 1
1491 1 56 ALA HA 1 62 LEU H . . 5.000 2.284 2.133 2.467 . 0 0 "[ . 1 . 2]" 1
1492 1 56 ALA HA 1 63 GLU H . . 5.700 4.395 4.000 4.662 . 0 0 "[ . 1 . 2]" 1
1493 1 56 ALA MB 1 57 VAL H . . 4.820 2.597 2.413 2.814 . 0 0 "[ . 1 . 2]" 1
1494 1 56 ALA MB 1 60 VAL H . . 7.020 3.334 2.922 4.160 . 0 0 "[ . 1 . 2]" 1
1495 1 56 ALA MB 1 61 CYS H . . 7.020 3.860 3.629 4.073 . 0 0 "[ . 1 . 2]" 1
1496 1 56 ALA MB 1 62 LEU H . . 6.320 3.046 2.823 3.253 . 0 0 "[ . 1 . 2]" 1
1497 1 56 ALA MB 1 63 GLU H . . 7.020 4.482 4.027 4.746 . 0 0 "[ . 1 . 2]" 1
1498 1 56 ALA MB 1 84 LYS H . . 6.320 3.630 3.078 3.880 . 0 0 "[ . 1 . 2]" 1
1499 1 57 VAL H 1 58 ASN H . . 5.700 4.166 3.986 4.232 . 0 0 "[ . 1 . 2]" 1
1500 1 57 VAL H 1 58 ASN HA . . 5.700 5.664 5.510 5.721 0.021 7 0 "[ . 1 . 2]" 1
1501 1 57 VAL H 1 60 VAL H . . 5.000 3.120 2.912 3.592 . 0 0 "[ . 1 . 2]" 1
1502 1 57 VAL H 1 60 VAL HB . . 5.000 3.162 3.065 3.305 . 0 0 "[ . 1 . 2]" 1
1503 1 57 VAL H 1 61 CYS HA . . 5.700 4.255 3.818 4.450 . 0 0 "[ . 1 . 2]" 1
1504 1 57 VAL H 1 62 LEU H . . 5.700 4.254 4.073 4.357 . 0 0 "[ . 1 . 2]" 1
1505 1 57 VAL H 1 62 LEU HA . . 5.700 5.429 5.219 5.527 . 0 0 "[ . 1 . 2]" 1
1506 1 57 VAL H 1 62 LEU HG . . 5.000 5.063 5.030 5.120 0.120 4 0 "[ . 1 . 2]" 1
1507 1 57 VAL H 1 62 LEU MD1 . . 6.320 2.092 2.015 2.155 . 0 0 "[ . 1 . 2]" 1
1508 1 57 VAL H 1 62 LEU MD2 . . 6.320 3.384 3.159 3.554 . 0 0 "[ . 1 . 2]" 1
1509 1 57 VAL H 1 84 LYS H . . 5.700 4.716 4.578 4.938 . 0 0 "[ . 1 . 2]" 1
1510 1 57 VAL H 1 84 LYS QD . . 8.180 5.836 4.451 7.417 . 0 0 "[ . 1 . 2]" 1
1511 1 57 VAL HA 1 58 ASN H . . 3.500 2.071 1.979 2.143 . 0 0 "[ . 1 . 2]" 1
1512 1 57 VAL HA 1 60 VAL H . . 5.700 4.385 4.219 4.822 . 0 0 "[ . 1 . 2]" 1
1513 1 57 VAL HA 1 84 LYS H . . 5.000 2.910 2.571 3.216 . 0 0 "[ . 1 . 2]" 1
1514 1 57 VAL HB 1 58 ASN H . . 5.000 4.218 4.101 4.349 . 0 0 "[ . 1 . 2]" 1
1515 1 58 ASN H 1 59 ASN H . . 5.700 2.364 2.142 3.313 . 0 0 "[ . 1 . 2]" 1
1516 1 58 ASN H 1 60 VAL H . . 5.700 4.081 3.989 4.347 . 0 0 "[ . 1 . 2]" 1
1517 1 58 ASN H 1 77 THR MG . . 7.020 4.961 4.215 5.261 . 0 0 "[ . 1 . 2]" 1
1518 1 58 ASN H 1 82 TYR H . . 5.700 3.196 2.769 3.631 . 0 0 "[ . 1 . 2]" 1
1519 1 58 ASN H 1 82 TYR HA . . 5.000 4.625 4.414 4.835 . 0 0 "[ . 1 . 2]" 1
1520 1 58 ASN H 1 82 TYR HB2 . . 5.000 3.911 2.895 4.596 . 0 0 "[ . 1 . 2]" 1
1521 1 58 ASN H 1 82 TYR HB3 . . 5.000 3.412 2.722 4.207 . 0 0 "[ . 1 . 2]" 1
1522 1 58 ASN H 1 82 TYR QD . . 7.830 4.509 3.017 5.404 . 0 0 "[ . 1 . 2]" 1
1523 1 58 ASN H 1 84 LYS H . . 5.700 4.219 3.845 4.673 . 0 0 "[ . 1 . 2]" 1
1524 1 58 ASN HA 1 58 ASN HD22 . . 5.000 4.186 3.561 4.517 . 0 0 "[ . 1 . 2]" 1
1525 1 58 ASN HA 1 83 LEU H . . 5.700 5.719 5.325 5.809 0.109 18 0 "[ . 1 . 2]" 1
1526 1 58 ASN HB2 1 60 VAL H . . 5.000 3.848 3.371 5.040 0.040 15 0 "[ . 1 . 2]" 1
1527 1 58 ASN HB3 1 60 VAL H . . 5.000 4.206 3.234 4.572 . 0 0 "[ . 1 . 2]" 1
1528 1 58 ASN HD21 1 59 ASN H . . 5.700 5.552 4.604 5.764 0.064 3 0 "[ . 1 . 2]" 1
1529 1 58 ASN HD21 1 77 THR HB . . 5.700 5.048 4.359 5.709 0.009 15 0 "[ . 1 . 2]" 1
1530 1 58 ASN HD21 1 77 THR MG . . 6.320 2.701 2.069 3.489 . 0 0 "[ . 1 . 2]" 1
1531 1 58 ASN HD21 1 78 SER H . . 5.700 5.691 4.722 5.796 0.096 8 0 "[ . 1 . 2]" 1
1532 1 58 ASN HD21 1 82 TYR H . . 5.700 4.372 2.717 4.970 . 0 0 "[ . 1 . 2]" 1
1533 1 58 ASN HD22 1 59 ASN H . . 5.700 5.940 5.706 6.036 0.336 12 0 "[ . 1 . 2]" 1
1534 1 58 ASN HD22 1 77 THR HB . . 5.700 4.338 3.327 5.740 0.040 15 0 "[ . 1 . 2]" 1
1535 1 58 ASN HD22 1 77 THR MG . . 6.320 2.369 1.731 4.183 . 0 0 "[ . 1 . 2]" 1
1536 1 58 ASN HD22 1 78 SER H . . 5.700 5.063 4.657 5.747 0.047 16 0 "[ . 1 . 2]" 1
1537 1 58 ASN HD22 1 82 TYR H . . 5.700 3.687 2.780 5.056 . 0 0 "[ . 1 . 2]" 1
1538 1 59 ASN H 1 59 ASN HD21 . . 5.700 4.512 3.526 5.251 . 0 0 "[ . 1 . 2]" 1
1539 1 59 ASN H 1 59 ASN HD22 . . 5.700 5.313 4.263 5.927 0.227 13 0 "[ . 1 . 2]" 1
1540 1 59 ASN QB 1 60 VAL H . . 7.480 3.586 3.150 3.749 . 0 0 "[ . 1 . 2]" 1
1541 1 60 VAL H 1 60 VAL HB . . 3.500 2.548 2.525 2.650 . 0 0 "[ . 1 . 2]" 1
1542 1 60 VAL HA 1 61 CYS H . . 2.800 2.174 2.144 2.202 . 0 0 "[ . 1 . 2]" 1
1543 1 60 VAL HB 1 61 CYS H . . 5.000 4.120 4.064 4.168 . 0 0 "[ . 1 . 2]" 1
1544 1 60 VAL HB 1 62 LEU H . . 5.700 5.741 5.727 5.758 0.058 1 0 "[ . 1 . 2]" 1
1545 1 60 VAL MG1 1 61 CYS H . . 6.320 2.752 2.647 2.850 . 0 0 "[ . 1 . 2]" 1
1546 1 60 VAL MG2 1 61 CYS H . . 6.320 4.170 4.142 4.204 . 0 0 "[ . 1 . 2]" 1
1547 1 61 CYS H 1 61 CYS HB2 . . 3.500 3.512 3.507 3.520 0.020 14 0 "[ . 1 . 2]" 1
1548 1 61 CYS H 1 61 CYS HB3 . . 3.500 2.642 2.597 2.709 . 0 0 "[ . 1 . 2]" 1
1549 1 61 CYS H 1 62 LEU H . . 5.700 4.498 4.448 4.579 . 0 0 "[ . 1 . 2]" 1
1550 1 61 CYS HA 1 62 LEU H . . 3.500 2.122 2.055 2.222 . 0 0 "[ . 1 . 2]" 1
1551 1 61 CYS HA 1 63 GLU H . . 5.000 3.406 3.188 3.796 . 0 0 "[ . 1 . 2]" 1
1552 1 61 CYS HB2 1 62 LEU H . . 5.700 3.359 3.228 3.443 . 0 0 "[ . 1 . 2]" 1
1553 1 61 CYS HB2 1 63 GLU H . . 5.700 2.917 2.467 3.257 . 0 0 "[ . 1 . 2]" 1
1554 1 61 CYS HB3 1 62 LEU H . . 5.700 4.130 4.083 4.172 . 0 0 "[ . 1 . 2]" 1
1555 1 61 CYS HB3 1 63 GLU H . . 5.700 4.379 3.995 4.781 . 0 0 "[ . 1 . 2]" 1
1556 1 62 LEU H 1 62 LEU HG . . 5.000 4.482 4.389 4.542 . 0 0 "[ . 1 . 2]" 1
1557 1 62 LEU H 1 63 GLU H . . 3.500 2.161 1.927 2.264 . 0 0 "[ . 1 . 2]" 1
1558 1 62 LEU H 1 63 GLU HB2 . . 5.700 4.367 3.738 4.567 . 0 0 "[ . 1 . 2]" 1
1559 1 62 LEU H 1 63 GLU HB3 . . 5.700 5.561 4.169 5.707 0.007 14 0 "[ . 1 . 2]" 1
1560 1 62 LEU HB2 1 63 GLU H . . 5.700 3.640 3.437 3.754 . 0 0 "[ . 1 . 2]" 1
1561 1 62 LEU HB3 1 63 GLU H . . 5.700 3.974 3.770 4.084 . 0 0 "[ . 1 . 2]" 1
1562 1 62 LEU HG 1 70 ALA H . . 5.700 5.046 4.371 5.517 . 0 0 "[ . 1 . 2]" 1
1563 1 62 LEU HG 1 73 ALA H . . 5.700 5.702 5.519 5.785 0.085 4 0 "[ . 1 . 2]" 1
1564 1 63 GLU H 1 63 GLU HB2 . . 4.000 2.435 2.330 2.506 . 0 0 "[ . 1 . 2]" 1
1565 1 63 GLU H 1 63 GLU HB3 . . 4.000 3.538 2.480 3.636 . 0 0 "[ . 1 . 2]" 1
1566 1 63 GLU H 1 63 GLU HG2 . . 5.000 2.564 2.207 4.497 . 0 0 "[ . 1 . 2]" 1
1567 1 63 GLU H 1 63 GLU HG3 . . 5.000 3.712 2.458 4.394 . 0 0 "[ . 1 . 2]" 1
1568 1 63 GLU H 1 64 GLU H . . 5.000 4.349 4.267 4.541 . 0 0 "[ . 1 . 2]" 1
1569 1 63 GLU H 1 65 VAL MG1 . . 6.320 3.891 3.686 4.243 . 0 0 "[ . 1 . 2]" 1
1570 1 63 GLU H 1 65 VAL MG2 . . 6.320 4.340 4.149 4.655 . 0 0 "[ . 1 . 2]" 1
1571 1 63 GLU HA 1 64 GLU H . . 3.500 2.130 2.071 2.266 . 0 0 "[ . 1 . 2]" 1
1572 1 63 GLU HA 1 65 VAL H . . 5.000 4.647 3.564 5.003 0.003 8 0 "[ . 1 . 2]" 1
1573 1 64 GLU H 1 64 GLU HG2 . . 5.000 4.880 2.851 5.090 0.090 13 0 "[ . 1 . 2]" 1
1574 1 64 GLU H 1 64 GLU HG3 . . 5.000 4.430 3.119 4.875 . 0 0 "[ . 1 . 2]" 1
1575 1 64 GLU HA 1 65 VAL H . . 3.500 2.250 1.913 2.764 . 0 0 "[ . 1 . 2]" 1
1576 1 64 GLU HG2 1 65 VAL H . . 5.000 4.838 4.462 5.195 0.195 6 0 "[ . 1 . 2]" 1
1577 1 64 GLU HG3 1 65 VAL H . . 5.000 4.147 3.836 5.059 0.059 3 0 "[ . 1 . 2]" 1
1578 1 65 VAL H 1 66 THR H . . 5.000 4.401 4.350 4.574 . 0 0 "[ . 1 . 2]" 1
1579 1 65 VAL H 1 66 THR HA . . 5.700 4.702 4.484 4.937 . 0 0 "[ . 1 . 2]" 1
1580 1 65 VAL HA 1 66 THR H . . 3.500 2.524 2.370 2.614 . 0 0 "[ . 1 . 2]" 1
1581 1 65 VAL HB 1 66 THR H . . 3.500 2.359 2.201 2.513 . 0 0 "[ . 1 . 2]" 1
1582 1 65 VAL MG1 1 66 THR H . . 6.320 3.710 3.625 3.863 . 0 0 "[ . 1 . 2]" 1
1583 1 65 VAL MG1 1 69 GLU H . . 7.020 5.999 5.456 6.310 . 0 0 "[ . 1 . 2]" 1
1584 1 65 VAL MG1 1 70 ALA H . . 7.020 5.212 4.881 5.437 . 0 0 "[ . 1 . 2]" 1
1585 1 65 VAL MG2 1 66 THR H . . 6.320 3.310 3.161 3.565 . 0 0 "[ . 1 . 2]" 1
1586 1 65 VAL MG2 1 69 GLU H . . 7.020 4.492 3.940 5.128 . 0 0 "[ . 1 . 2]" 1
1587 1 65 VAL MG2 1 70 ALA H . . 7.020 3.277 2.961 3.679 . 0 0 "[ . 1 . 2]" 1
1588 1 66 THR H 1 67 HIS H . . 5.700 4.565 4.476 4.637 . 0 0 "[ . 1 . 2]" 1
1589 1 66 THR H 1 67 HIS HA . . 5.700 5.490 5.368 5.634 . 0 0 "[ . 1 . 2]" 1
1590 1 66 THR H 1 69 GLU H . . 5.000 4.136 3.759 4.327 . 0 0 "[ . 1 . 2]" 1
1591 1 66 THR H 1 69 GLU HB2 . . 5.000 3.465 2.777 3.789 . 0 0 "[ . 1 . 2]" 1
1592 1 66 THR H 1 69 GLU HB3 . . 5.000 3.416 2.570 4.999 . 0 0 "[ . 1 . 2]" 1
1593 1 66 THR H 1 70 ALA H . . 5.700 4.598 4.280 4.928 . 0 0 "[ . 1 . 2]" 1
1594 1 66 THR HA 1 67 HIS H . . 3.500 2.280 2.206 2.468 . 0 0 "[ . 1 . 2]" 1
1595 1 66 THR HA 1 68 GLU H . . 5.700 4.448 4.157 4.643 . 0 0 "[ . 1 . 2]" 1
1596 1 66 THR HA 1 69 GLU H . . 5.700 4.660 4.504 4.936 . 0 0 "[ . 1 . 2]" 1
1597 1 66 THR HB 1 67 HIS H . . 3.500 3.290 2.510 3.622 0.122 16 0 "[ . 1 . 2]" 1
1598 1 66 THR HB 1 68 GLU H . . 3.500 3.341 2.855 3.544 0.044 13 0 "[ . 1 . 2]" 1
1599 1 66 THR HB 1 69 GLU H . . 5.000 3.060 2.420 4.059 . 0 0 "[ . 1 . 2]" 1
1600 1 66 THR HB 1 70 ALA H . . 5.700 4.699 3.989 5.679 . 0 0 "[ . 1 . 2]" 1
1601 1 66 THR MG 1 67 HIS H . . 4.820 2.790 1.908 3.826 . 0 0 "[ . 1 . 2]" 1
1602 1 66 THR MG 1 68 GLU H . . 7.020 3.439 2.604 4.953 . 0 0 "[ . 1 . 2]" 1
1603 1 67 HIS H 1 67 HIS HB2 . . 3.500 2.535 2.368 2.690 . 0 0 "[ . 1 . 2]" 1
1604 1 67 HIS H 1 67 HIS HB3 . . 3.500 2.694 2.373 2.889 . 0 0 "[ . 1 . 2]" 1
1605 1 67 HIS H 1 67 HIS HD2 . . 5.700 5.129 4.730 5.346 . 0 0 "[ . 1 . 2]" 1
1606 1 67 HIS H 1 68 GLU H . . 3.500 2.901 2.459 3.128 . 0 0 "[ . 1 . 2]" 1
1607 1 67 HIS H 1 68 GLU HB2 . . 5.700 5.140 4.352 5.719 0.019 7 0 "[ . 1 . 2]" 1
1608 1 67 HIS H 1 68 GLU HB3 . . 5.700 5.257 4.831 5.873 0.173 9 0 "[ . 1 . 2]" 1
1609 1 67 HIS H 1 69 GLU H . . 5.700 4.236 4.013 4.551 . 0 0 "[ . 1 . 2]" 1
1610 1 67 HIS HA 1 70 ALA H . . 3.500 3.437 3.322 3.525 0.025 8 0 "[ . 1 . 2]" 1
1611 1 67 HIS HA 1 71 VAL H . . 5.000 3.934 3.755 4.127 . 0 0 "[ . 1 . 2]" 1
1612 1 67 HIS HD2 1 68 GLU H . . 5.000 4.475 3.697 5.633 0.633 15 1 "[ . 1 + 2]" 1
1613 1 68 GLU H 1 68 GLU HB2 . . 3.500 2.438 2.161 2.704 . 0 0 "[ . 1 . 2]" 1
1614 1 68 GLU H 1 68 GLU HB3 . . 3.500 2.645 2.244 3.504 0.004 9 0 "[ . 1 . 2]" 1
1615 1 68 GLU H 1 69 GLU H . . 3.500 2.678 2.546 3.040 . 0 0 "[ . 1 . 2]" 1
1616 1 68 GLU H 1 70 ALA H . . 5.700 4.015 3.770 4.185 . 0 0 "[ . 1 . 2]" 1
1617 1 68 GLU H 1 70 ALA MB . . 7.020 4.693 4.387 4.889 . 0 0 "[ . 1 . 2]" 1
1618 1 68 GLU H 1 71 VAL H . . 5.000 4.723 4.619 4.820 . 0 0 "[ . 1 . 2]" 1
1619 1 68 GLU HA 1 71 VAL H . . 5.000 3.553 3.235 3.738 . 0 0 "[ . 1 . 2]" 1
1620 1 68 GLU HA 1 72 THR H . . 5.000 3.907 3.694 4.153 . 0 0 "[ . 1 . 2]" 1
1621 1 69 GLU H 1 69 GLU HB2 . . 3.500 2.479 2.355 2.567 . 0 0 "[ . 1 . 2]" 1
1622 1 69 GLU H 1 69 GLU HB3 . . 3.500 2.696 2.084 3.594 0.094 8 0 "[ . 1 . 2]" 1
1623 1 69 GLU H 1 70 ALA MB . . 6.320 4.000 3.929 4.058 . 0 0 "[ . 1 . 2]" 1
1624 1 69 GLU H 1 71 VAL H . . 5.000 4.091 3.808 4.301 . 0 0 "[ . 1 . 2]" 1
1625 1 69 GLU H 1 72 THR H . . 5.000 4.698 4.591 4.810 . 0 0 "[ . 1 . 2]" 1
1626 1 69 GLU HA 1 71 VAL H . . 5.000 4.744 4.510 4.944 . 0 0 "[ . 1 . 2]" 1
1627 1 69 GLU HA 1 72 THR H . . 5.000 3.771 3.405 3.987 . 0 0 "[ . 1 . 2]" 1
1628 1 69 GLU HB2 1 70 ALA H . . 5.000 3.356 2.457 3.884 . 0 0 "[ . 1 . 2]" 1
1629 1 69 GLU HB3 1 70 ALA H . . 5.000 3.017 2.445 3.867 . 0 0 "[ . 1 . 2]" 1
1630 1 69 GLU HG2 1 70 ALA H . . 5.000 4.206 3.586 5.063 0.063 8 0 "[ . 1 . 2]" 1
1631 1 69 GLU HG3 1 70 ALA H . . 5.000 4.613 4.072 5.044 0.044 5 0 "[ . 1 . 2]" 1
1632 1 70 ALA H 1 71 VAL H . . 3.500 2.651 2.486 2.834 . 0 0 "[ . 1 . 2]" 1
1633 1 70 ALA H 1 71 VAL HA . . 5.700 5.231 5.102 5.361 . 0 0 "[ . 1 . 2]" 1
1634 1 70 ALA H 1 71 VAL HB . . 5.000 5.046 5.012 5.085 0.085 8 0 "[ . 1 . 2]" 1
1635 1 70 ALA H 1 72 THR HB . . 5.700 4.972 4.624 5.146 . 0 0 "[ . 1 . 2]" 1
1636 1 70 ALA HA 1 72 THR H . . 5.000 4.525 4.374 4.692 . 0 0 "[ . 1 . 2]" 1
1637 1 70 ALA HA 1 73 ALA H . . 5.000 3.392 3.098 3.652 . 0 0 "[ . 1 . 2]" 1
1638 1 70 ALA MB 1 71 VAL H . . 4.820 2.295 2.147 2.522 . 0 0 "[ . 1 . 2]" 1
1639 1 71 VAL H 1 71 VAL HB . . 3.500 2.765 2.553 2.892 . 0 0 "[ . 1 . 2]" 1
1640 1 71 VAL H 1 73 ALA H . . 5.000 4.093 3.927 4.249 . 0 0 "[ . 1 . 2]" 1
1641 1 71 VAL H 1 74 LEU H . . 5.700 4.868 4.730 5.003 . 0 0 "[ . 1 . 2]" 1
1642 1 71 VAL HA 1 73 ALA H . . 5.700 4.198 4.063 4.355 . 0 0 "[ . 1 . 2]" 1
1643 1 71 VAL HA 1 74 LEU H . . 3.500 3.338 3.179 3.489 . 0 0 "[ . 1 . 2]" 1
1644 1 71 VAL HA 1 75 LYS H . . 5.000 4.158 3.979 4.319 . 0 0 "[ . 1 . 2]" 1
1645 1 71 VAL HB 1 72 THR H . . 3.500 2.564 2.372 2.855 . 0 0 "[ . 1 . 2]" 1
1646 1 71 VAL HB 1 73 ALA H . . 5.700 4.994 4.821 5.184 . 0 0 "[ . 1 . 2]" 1
1647 1 71 VAL MG1 1 72 THR H . . 6.320 3.549 3.392 3.650 . 0 0 "[ . 1 . 2]" 1
1648 1 71 VAL MG1 1 73 ALA H . . 6.320 4.985 4.870 5.087 . 0 0 "[ . 1 . 2]" 1
1649 1 71 VAL MG2 1 72 THR H . . 6.320 3.672 3.532 3.880 . 0 0 "[ . 1 . 2]" 1
1650 1 71 VAL MG2 1 73 ALA H . . 6.320 5.245 5.124 5.361 . 0 0 "[ . 1 . 2]" 1
1651 1 72 THR H 1 72 THR HB . . 3.500 2.470 2.297 2.573 . 0 0 "[ . 1 . 2]" 1
1652 1 72 THR H 1 73 ALA H . . 3.500 2.765 2.698 2.814 . 0 0 "[ . 1 . 2]" 1
1653 1 72 THR H 1 73 ALA MB . . 6.320 4.446 4.383 4.506 . 0 0 "[ . 1 . 2]" 1
1654 1 72 THR H 1 75 LYS H . . 5.700 4.580 4.533 4.626 . 0 0 "[ . 1 . 2]" 1
1655 1 72 THR H 1 75 LYS QB . . 7.480 4.711 4.660 4.789 . 0 0 "[ . 1 . 2]" 1
1656 1 72 THR H 1 76 ASN H . . 6.100 6.063 5.978 6.131 0.031 18 0 "[ . 1 . 2]" 1
1657 1 72 THR HA 1 74 LEU H . . 5.000 4.265 4.019 4.433 . 0 0 "[ . 1 . 2]" 1
1658 1 72 THR HA 1 75 LYS H . . 5.000 3.154 2.923 3.308 . 0 0 "[ . 1 . 2]" 1
1659 1 72 THR HA 1 76 ASN H . . 5.000 4.009 3.851 4.174 . 0 0 "[ . 1 . 2]" 1
1660 1 72 THR HA 1 76 ASN HD21 . . 5.700 4.252 3.260 5.617 . 0 0 "[ . 1 . 2]" 1
1661 1 72 THR HA 1 76 ASN HD22 . . 5.700 4.550 3.957 5.123 . 0 0 "[ . 1 . 2]" 1
1662 1 72 THR HB 1 73 ALA H . . 3.500 2.925 2.672 3.184 . 0 0 "[ . 1 . 2]" 1
1663 1 72 THR MG 1 73 ALA H . . 6.320 3.637 3.475 3.821 . 0 0 "[ . 1 . 2]" 1
1664 1 72 THR MG 1 75 LYS H . . 7.020 4.525 4.356 4.759 . 0 0 "[ . 1 . 2]" 1
1665 1 72 THR MG 1 76 ASN H . . 6.320 4.045 3.909 4.175 . 0 0 "[ . 1 . 2]" 1
1666 1 72 THR MG 1 76 ASN HD21 . . 4.820 2.553 2.084 3.520 . 0 0 "[ . 1 . 2]" 1
1667 1 72 THR MG 1 76 ASN HD22 . . 4.820 2.259 2.052 2.474 . 0 0 "[ . 1 . 2]" 1
1668 1 73 ALA H 1 74 LEU H . . 3.500 2.628 2.539 2.833 . 0 0 "[ . 1 . 2]" 1
1669 1 73 ALA H 1 75 LYS H . . 5.000 3.877 3.735 3.987 . 0 0 "[ . 1 . 2]" 1
1670 1 73 ALA H 1 75 LYS QB . . 8.180 4.942 4.727 5.032 . 0 0 "[ . 1 . 2]" 1
1671 1 73 ALA HA 1 75 LYS H . . 5.700 4.243 4.017 4.504 . 0 0 "[ . 1 . 2]" 1
1672 1 73 ALA HA 1 76 ASN H . . 5.000 3.519 3.343 3.650 . 0 0 "[ . 1 . 2]" 1
1673 1 73 ALA HA 1 76 ASN HD21 . . 5.700 3.168 2.241 3.829 . 0 0 "[ . 1 . 2]" 1
1674 1 73 ALA HA 1 76 ASN HD22 . . 5.700 4.609 3.373 5.489 . 0 0 "[ . 1 . 2]" 1
1675 1 73 ALA MB 1 74 LEU H . . 4.820 2.674 2.544 2.802 . 0 0 "[ . 1 . 2]" 1
1676 1 73 ALA MB 1 75 LYS H . . 6.320 4.436 4.272 4.534 . 0 0 "[ . 1 . 2]" 1
1677 1 74 LEU H 1 74 LEU HB2 . . 4.000 2.561 2.481 2.656 . 0 0 "[ . 1 . 2]" 1
1678 1 74 LEU H 1 74 LEU HB3 . . 4.000 3.620 2.104 3.734 . 0 0 "[ . 1 . 2]" 1
1679 1 74 LEU H 1 74 LEU HG . . 3.500 3.435 3.196 3.824 0.324 17 0 "[ . 1 . 2]" 1
1680 1 74 LEU H 1 74 LEU MD1 . . 4.820 2.242 2.056 4.042 . 0 0 "[ . 1 . 2]" 1
1681 1 74 LEU H 1 74 LEU MD2 . . 4.820 4.235 4.015 4.294 . 0 0 "[ . 1 . 2]" 1
1682 1 74 LEU H 1 75 LYS H . . 3.500 2.423 2.309 2.473 . 0 0 "[ . 1 . 2]" 1
1683 1 74 LEU H 1 75 LYS HA . . 5.000 5.002 4.873 5.033 0.033 5 0 "[ . 1 . 2]" 1
1684 1 74 LEU H 1 75 LYS QB . . 7.480 4.518 4.411 4.608 . 0 0 "[ . 1 . 2]" 1
1685 1 74 LEU H 1 76 ASN H . . 5.000 4.041 3.849 4.307 . 0 0 "[ . 1 . 2]" 1
1686 1 74 LEU HA 1 76 ASN H . . 5.700 4.121 3.956 4.396 . 0 0 "[ . 1 . 2]" 1
1687 1 74 LEU HA 1 77 THR H . . 5.700 5.296 4.866 5.609 . 0 0 "[ . 1 . 2]" 1
1688 1 74 LEU HG 1 75 LYS H . . 5.000 4.904 3.747 5.010 0.010 10 0 "[ . 1 . 2]" 1
1689 1 75 LYS H 1 75 LYS HG2 . . 5.000 3.374 2.348 3.580 . 0 0 "[ . 1 . 2]" 1
1690 1 75 LYS H 1 75 LYS HG3 . . 5.000 2.588 2.429 3.659 . 0 0 "[ . 1 . 2]" 1
1691 1 75 LYS H 1 76 ASN H . . 3.500 2.563 2.370 2.769 . 0 0 "[ . 1 . 2]" 1
1692 1 75 LYS H 1 76 ASN HA . . 5.700 5.187 5.044 5.336 . 0 0 "[ . 1 . 2]" 1
1693 1 75 LYS H 1 77 THR H . . 5.700 5.050 4.716 5.351 . 0 0 "[ . 1 . 2]" 1
1694 1 75 LYS QB 1 76 ASN H . . 5.780 2.922 2.551 3.062 . 0 0 "[ . 1 . 2]" 1
1695 1 75 LYS QB 1 77 THR H . . 8.180 4.434 4.254 4.585 . 0 0 "[ . 1 . 2]" 1
1696 1 75 LYS HG2 1 76 ASN H . . 5.000 4.990 4.394 5.051 0.051 15 0 "[ . 1 . 2]" 1
1697 1 75 LYS HG3 1 76 ASN H . . 5.000 4.579 4.513 4.882 . 0 0 "[ . 1 . 2]" 1
1698 1 76 ASN H 1 76 ASN HB2 . . 3.500 2.327 2.269 2.357 . 0 0 "[ . 1 . 2]" 1
1699 1 76 ASN H 1 76 ASN HB3 . . 3.500 3.564 3.545 3.582 0.082 15 0 "[ . 1 . 2]" 1
1700 1 76 ASN H 1 77 THR H . . 3.500 3.446 3.173 3.594 0.094 18 0 "[ . 1 . 2]" 1
1701 1 76 ASN H 1 77 THR HA . . 5.700 5.276 5.170 5.418 . 0 0 "[ . 1 . 2]" 1
1702 1 76 ASN HA 1 76 ASN HD22 . . 5.000 4.334 4.033 4.673 . 0 0 "[ . 1 . 2]" 1
1703 1 76 ASN HA 1 77 THR H . . 2.800 2.509 2.197 2.839 0.039 4 0 "[ . 1 . 2]" 1
1704 1 76 ASN HB2 1 76 ASN HD22 . . 4.000 3.466 3.455 3.481 . 0 0 "[ . 1 . 2]" 1
1705 1 76 ASN HB2 1 77 THR H . . 5.000 4.358 4.129 4.444 . 0 0 "[ . 1 . 2]" 1
1706 1 76 ASN HB3 1 76 ASN HD22 . . 4.000 3.914 3.747 4.023 0.023 16 0 "[ . 1 . 2]" 1
1707 1 76 ASN HB3 1 77 THR H . . 5.000 4.266 4.101 4.381 . 0 0 "[ . 1 . 2]" 1
1708 1 77 THR H 1 77 THR HB . . 4.000 3.721 3.657 3.823 . 0 0 "[ . 1 . 2]" 1
1709 1 77 THR H 1 78 SER H . . 5.000 4.358 4.255 4.449 . 0 0 "[ . 1 . 2]" 1
1710 1 77 THR HA 1 78 SER H . . 2.800 2.287 2.188 2.402 . 0 0 "[ . 1 . 2]" 1
1711 1 77 THR HB 1 78 SER H . . 3.500 2.803 2.573 3.185 . 0 0 "[ . 1 . 2]" 1
1712 1 77 THR MG 1 78 SER H . . 6.320 3.639 3.324 3.836 . 0 0 "[ . 1 . 2]" 1
1713 1 78 SER HA 1 79 ASP H . . 3.500 1.945 1.796 2.167 . 0 0 "[ . 1 . 2]" 1
1714 1 78 SER QB 1 79 ASP H . . 5.780 3.445 3.220 3.788 . 0 0 "[ . 1 . 2]" 1
1715 1 78 SER QB 1 80 PHE H . . 7.480 4.421 4.212 4.608 . 0 0 "[ . 1 . 2]" 1
1716 1 79 ASP H 1 80 PHE H . . 3.500 2.851 2.618 3.137 . 0 0 "[ . 1 . 2]" 1
1717 1 79 ASP QB 1 80 PHE H . . 5.780 3.612 3.403 3.851 . 0 0 "[ . 1 . 2]" 1
1718 1 80 PHE H 1 80 PHE HB2 . . 3.500 3.310 3.130 3.446 . 0 0 "[ . 1 . 2]" 1
1719 1 80 PHE H 1 80 PHE HB3 . . 3.500 2.989 2.882 3.184 . 0 0 "[ . 1 . 2]" 1
1720 1 80 PHE H 1 80 PHE QE . . 7.130 6.447 6.396 6.488 . 0 0 "[ . 1 . 2]" 1
1721 1 80 PHE H 1 81 VAL H . . 5.000 3.992 3.727 4.105 . 0 0 "[ . 1 . 2]" 1
1722 1 80 PHE H 1 81 VAL HA . . 5.000 4.626 4.404 4.791 . 0 0 "[ . 1 . 2]" 1
1723 1 80 PHE HA 1 81 VAL H . . 2.800 2.173 2.074 2.239 . 0 0 "[ . 1 . 2]" 1
1724 1 80 PHE HB2 1 81 VAL H . . 5.000 4.337 4.122 4.472 . 0 0 "[ . 1 . 2]" 1
1725 1 80 PHE HB3 1 81 VAL H . . 5.000 4.142 3.929 4.348 . 0 0 "[ . 1 . 2]" 1
1726 1 80 PHE QE 1 81 VAL H . . 7.130 4.713 4.366 5.171 . 0 0 "[ . 1 . 2]" 1
1727 1 81 VAL H 1 81 VAL HB . . 3.500 2.755 2.569 2.842 . 0 0 "[ . 1 . 2]" 1
1728 1 81 VAL H 1 82 TYR H . . 5.700 4.221 3.958 4.378 . 0 0 "[ . 1 . 2]" 1
1729 1 81 VAL HA 1 82 TYR H . . 2.800 2.225 2.163 2.267 . 0 0 "[ . 1 . 2]" 1
1730 1 81 VAL HB 1 82 TYR H . . 5.700 3.978 3.727 4.377 . 0 0 "[ . 1 . 2]" 1
1731 1 82 TYR H 1 83 LEU H . . 5.700 3.967 3.817 4.105 . 0 0 "[ . 1 . 2]" 1
1732 1 82 TYR HA 1 83 LEU H . . 2.800 2.188 2.106 2.335 . 0 0 "[ . 1 . 2]" 1
1733 1 82 TYR HB2 1 83 LEU H . . 5.700 4.537 4.461 4.612 . 0 0 "[ . 1 . 2]" 1
1734 1 82 TYR HB3 1 83 LEU H . . 5.700 4.097 3.818 4.419 . 0 0 "[ . 1 . 2]" 1
1735 1 82 TYR QD 1 83 LEU H . . 7.130 4.070 3.205 4.660 . 0 0 "[ . 1 . 2]" 1
1736 1 83 LEU H 1 83 LEU HG . . 5.000 4.602 4.423 4.679 . 0 0 "[ . 1 . 2]" 1
1737 1 83 LEU H 1 84 LYS H . . 5.000 4.417 4.173 4.536 . 0 0 "[ . 1 . 2]" 1
1738 1 83 LEU HA 1 84 LYS H . . 3.500 2.161 2.087 2.253 . 0 0 "[ . 1 . 2]" 1
1739 1 83 LEU MD1 1 84 LYS H . . 6.320 4.626 4.162 5.049 . 0 0 "[ . 1 . 2]" 1
1740 1 83 LEU MD2 1 84 LYS H . . 6.320 3.094 2.339 3.607 . 0 0 "[ . 1 . 2]" 1
1741 1 84 LYS H 1 84 LYS HG2 . . 5.000 4.381 3.834 4.641 . 0 0 "[ . 1 . 2]" 1
1742 1 84 LYS H 1 84 LYS HG3 . . 5.000 4.241 2.579 4.705 . 0 0 "[ . 1 . 2]" 1
1743 1 84 LYS H 1 85 VAL H . . 5.000 4.134 4.044 4.341 . 0 0 "[ . 1 . 2]" 1
1744 1 84 LYS HA 1 85 VAL H . . 2.800 2.105 2.017 2.194 . 0 0 "[ . 1 . 2]" 1
1745 1 84 LYS QB 1 85 VAL H . . 7.480 3.760 3.215 3.918 . 0 0 "[ . 1 . 2]" 1
1746 1 84 LYS HG2 1 85 VAL H . . 5.000 3.844 3.418 5.006 0.006 1 0 "[ . 1 . 2]" 1
1747 1 84 LYS HG3 1 85 VAL H . . 5.000 4.045 3.370 5.045 0.045 7 0 "[ . 1 . 2]" 1
1748 1 85 VAL H 1 86 ALA H . . 5.000 4.415 4.386 4.447 . 0 0 "[ . 1 . 2]" 1
1749 1 85 VAL H 1 86 ALA HA . . 5.700 5.083 4.777 5.211 . 0 0 "[ . 1 . 2]" 1
1750 1 85 VAL HA 1 86 ALA H . . 2.800 2.199 2.118 2.362 . 0 0 "[ . 1 . 2]" 1
1751 1 85 VAL HB 1 86 ALA H . . 5.000 3.890 3.750 4.038 . 0 0 "[ . 1 . 2]" 1
1752 1 85 VAL MG1 1 86 ALA H . . 6.320 3.504 2.248 4.012 . 0 0 "[ . 1 . 2]" 1
1753 1 85 VAL MG2 1 86 ALA H . . 6.320 2.499 1.950 3.752 . 0 0 "[ . 1 . 2]" 1
1754 1 86 ALA H 1 87 LYS H . . 5.000 4.314 4.228 4.390 . 0 0 "[ . 1 . 2]" 1
1755 1 86 ALA HA 1 87 LYS H . . 3.500 2.388 2.171 2.457 . 0 0 "[ . 1 . 2]" 1
1756 1 86 ALA MB 1 87 LYS H . . 6.320 2.573 2.438 2.797 . 0 0 "[ . 1 . 2]" 1
1757 1 87 LYS H 1 88 PRO QG . . 8.190 6.027 5.776 6.249 . 0 0 "[ . 1 . 2]" 1
1758 1 87 LYS H 1 88 PRO HD2 . . 5.700 4.811 4.643 5.408 . 0 0 "[ . 1 . 2]" 1
1759 1 87 LYS H 1 88 PRO HD3 . . 5.700 5.194 4.723 5.393 . 0 0 "[ . 1 . 2]" 1
1760 1 87 LYS HA 1 89 THR H . . 5.700 5.600 4.641 5.850 0.150 2 0 "[ . 1 . 2]" 1
1761 1 88 PRO HA 1 89 THR H . . 2.800 2.116 1.988 2.576 . 0 0 "[ . 1 . 2]" 1
1762 1 88 PRO HA 1 90 GLY H . . 5.700 3.960 3.238 5.050 . 0 0 "[ . 1 . 2]" 1
1763 1 88 PRO HB2 1 90 GLY H . . 5.700 3.792 2.651 4.784 . 0 0 "[ . 1 . 2]" 1
1764 1 88 PRO HB3 1 90 GLY H . . 5.700 4.628 3.763 5.741 0.041 6 0 "[ . 1 . 2]" 1
1765 1 88 PRO QG 1 90 GLY H . . 8.190 5.147 4.319 6.174 . 0 0 "[ . 1 . 2]" 1
1766 1 89 THR H 1 90 GLY HA2 . . 5.700 5.213 4.704 5.832 0.132 2 0 "[ . 1 . 2]" 1
1767 1 89 THR H 1 90 GLY HA3 . . 5.700 4.834 4.347 5.738 0.038 3 0 "[ . 1 . 2]" 1
1768 1 89 THR HA 1 90 GLY H . . 3.500 3.026 2.185 3.515 0.015 1 0 "[ . 1 . 2]" 1
1769 1 89 THR HB 1 90 GLY H . . 5.000 3.685 2.652 4.435 . 0 0 "[ . 1 . 2]" 1
1770 1 89 THR MG 1 90 GLY H . . 6.320 3.968 3.536 4.355 . 0 0 "[ . 1 . 2]" 1
1771 1 90 GLY H 1 91 SER H . . 5.000 2.982 1.761 4.317 . 0 0 "[ . 1 . 2]" 1
1772 1 90 GLY HA2 1 91 SER H . . 3.500 3.024 2.503 3.531 0.031 3 0 "[ . 1 . 2]" 1
1773 1 90 GLY HA3 1 91 SER H . . 3.500 3.135 2.212 3.527 0.027 20 0 "[ . 1 . 2]" 1
1774 1 91 SER H 1 92 HIS HA . . 5.000 4.787 4.360 5.114 0.114 2 0 "[ . 1 . 2]" 1
1775 1 93 HIS HA 1 94 HIS H . . 3.500 2.230 2.028 2.630 . 0 0 "[ . 1 . 2]" 1
1776 2 1 PCA HA 2 2 ARG HG2 . . 5.700 5.284 3.748 5.925 0.225 5 0 "[ . 1 . 2]" 1
1777 2 1 PCA HA 2 2 ARG HG3 . . 5.700 5.151 3.549 5.866 0.166 18 0 "[ . 1 . 2]" 1
1778 2 3 THR HA 2 4 ARG QG . . 7.480 4.470 2.928 5.863 . 0 0 "[ . 1 . 2]" 1
1779 2 3 THR HA 2 5 GLN QG . . 8.180 7.762 6.293 8.291 0.111 15 0 "[ . 1 . 2]" 1
1780 2 3 THR HB 2 4 ARG QG . . 8.180 5.638 4.473 6.911 . 0 0 "[ . 1 . 2]" 1
1781 2 3 THR MG 2 5 GLN QG . . 10.000 7.779 6.047 8.725 . 0 0 "[ . 1 . 2]" 1
1782 2 4 ARG HA 2 5 GLN QG . . 7.480 4.211 3.094 5.628 . 0 0 "[ . 1 . 2]" 1
1783 2 4 ARG QG 2 5 GLN HA . . 7.480 5.463 4.165 6.138 . 0 0 "[ . 1 . 2]" 1
1784 2 5 GLN QG 2 6 ARG HA . . 8.180 5.015 3.667 6.034 . 0 0 "[ . 1 . 2]" 1
1785 2 6 ARG HA 2 6 ARG HD2 . . 5.000 3.181 2.038 4.442 . 0 0 "[ . 1 . 2]" 1
1786 2 6 ARG HA 2 6 ARG HD3 . . 5.000 3.442 1.838 4.626 . 0 0 "[ . 1 . 2]" 1
1787 2 6 ARG HA 2 7 ASN HA . . 5.000 4.194 3.997 4.346 . 0 0 "[ . 1 . 2]" 1
1788 2 7 ASN HA 2 8 GLU HA . . 5.700 4.278 4.219 4.329 . 0 0 "[ . 1 . 2]" 1
1789 2 7 ASN HA 2 8 GLU HB2 . . 5.700 5.712 5.585 5.783 0.083 15 0 "[ . 1 . 2]" 1
1790 2 7 ASN HA 2 8 GLU HB3 . . 5.700 4.517 4.390 4.722 . 0 0 "[ . 1 . 2]" 1
1791 2 7 ASN HB2 2 8 GLU HA . . 6.100 4.657 4.523 4.823 . 0 0 "[ . 1 . 2]" 1
1792 2 7 ASN HB3 2 8 GLU HA . . 6.100 5.766 5.384 5.854 . 0 0 "[ . 1 . 2]" 1
1793 2 8 GLU HA 2 9 THR HB . . 5.700 4.580 4.123 4.803 . 0 0 "[ . 1 . 2]" 1
1794 2 8 GLU HB2 2 9 THR HA . . 5.700 4.365 4.058 4.620 . 0 0 "[ . 1 . 2]" 1
1795 2 8 GLU HB3 2 9 THR HA . . 5.700 5.588 5.386 5.719 0.019 14 0 "[ . 1 . 2]" 1
1796 2 8 GLU QG 2 9 THR HA . . 8.180 4.039 3.432 5.235 . 0 0 "[ . 1 . 2]" 1
1797 2 9 THR MG 2 10 GLN HA . . 7.020 4.074 3.850 4.448 . 0 0 "[ . 1 . 2]" 1
1798 2 9 THR MG 2 10 GLN HB2 . . 7.020 4.520 3.518 4.804 . 0 0 "[ . 1 . 2]" 1
1799 2 9 THR MG 2 10 GLN HB3 . . 7.020 4.003 3.669 4.979 . 0 0 "[ . 1 . 2]" 1
1800 2 9 THR MG 2 11 VAL HA . . 7.020 4.069 3.496 4.852 . 0 0 "[ . 1 . 2]" 1
1801 2 9 THR MG 2 11 VAL MG1 . . 8.340 4.127 3.181 5.367 . 0 0 "[ . 1 . 2]" 1
1802 2 9 THR MG 2 11 VAL MG2 . . 8.340 4.866 2.970 5.655 . 0 0 "[ . 1 . 2]" 1
1803 2 10 GLN HA 2 11 VAL MG1 . . 7.020 4.219 3.553 5.477 . 0 0 "[ . 1 . 2]" 1
1804 2 10 GLN HA 2 11 VAL MG2 . . 7.020 3.575 3.346 3.729 . 0 0 "[ . 1 . 2]" 1
1805 2 10 GLN HG2 2 11 VAL HA . . 5.700 4.266 3.451 5.857 0.157 18 0 "[ . 1 . 2]" 1
1806 2 10 GLN HG3 2 11 VAL HA . . 5.700 5.495 4.782 5.881 0.181 5 0 "[ . 1 . 2]" 1
1807 2 2 ARG HA 2 3 THR H . . 3.500 2.905 2.217 3.581 0.081 19 0 "[ . 1 . 2]" 1
1808 2 3 THR HA 2 4 ARG H . . 3.500 2.404 2.043 2.811 . 0 0 "[ . 1 . 2]" 1
1809 2 3 THR HB 2 4 ARG H . . 5.000 3.150 2.302 4.127 . 0 0 "[ . 1 . 2]" 1
1810 2 3 THR MG 2 4 ARG H . . 7.020 3.888 2.121 4.353 . 0 0 "[ . 1 . 2]" 1
1811 2 3 THR MG 2 11 VAL H . . 7.020 6.747 6.201 7.142 0.122 14 0 "[ . 1 . 2]" 1
1812 2 4 ARG H 2 5 GLN H . . 5.700 4.069 2.115 4.296 . 0 0 "[ . 1 . 2]" 1
1813 2 4 ARG HA 2 5 GLN H . . 3.500 2.357 2.041 3.532 0.032 14 0 "[ . 1 . 2]" 1
1814 2 4 ARG QG 2 5 GLN H . . 7.480 3.592 1.797 4.468 . 0 0 "[ . 1 . 2]" 1
1815 2 5 GLN H 2 6 ARG H . . 5.700 4.507 4.432 4.612 . 0 0 "[ . 1 . 2]" 1
1816 2 5 GLN HA 2 6 ARG H . . 3.500 2.288 1.929 2.494 . 0 0 "[ . 1 . 2]" 1
1817 2 5 GLN HA 2 7 ASN HD21 . . 5.700 5.354 4.233 5.913 0.213 15 0 "[ . 1 . 2]" 1
1818 2 5 GLN HA 2 7 ASN HD22 . . 5.700 4.965 4.098 5.673 . 0 0 "[ . 1 . 2]" 1
1819 2 5 GLN HB2 2 6 ARG H . . 5.000 2.762 2.025 4.300 . 0 0 "[ . 1 . 2]" 1
1820 2 5 GLN HB3 2 6 ARG H . . 5.000 3.404 2.577 3.991 . 0 0 "[ . 1 . 2]" 1
1821 2 5 GLN QG 2 6 ARG H . . 7.480 3.577 1.939 4.104 . 0 0 "[ . 1 . 2]" 1
1822 2 6 ARG H 2 6 ARG HG2 . . 5.000 3.692 2.890 4.755 . 0 0 "[ . 1 . 2]" 1
1823 2 6 ARG H 2 6 ARG HG3 . . 5.000 4.060 2.765 4.695 . 0 0 "[ . 1 . 2]" 1
1824 2 6 ARG H 2 7 ASN H . . 5.700 2.564 2.357 2.774 . 0 0 "[ . 1 . 2]" 1
1825 2 6 ARG HA 2 7 ASN H . . 3.500 2.793 2.210 3.100 . 0 0 "[ . 1 . 2]" 1
1826 2 7 ASN H 2 7 ASN HD21 . . 5.700 3.832 2.743 5.443 . 0 0 "[ . 1 . 2]" 1
1827 2 7 ASN H 2 7 ASN HD22 . . 5.700 4.338 3.738 5.677 . 0 0 "[ . 1 . 2]" 1
1828 2 7 ASN H 2 8 GLU H . . 5.000 4.258 4.100 4.364 . 0 0 "[ . 1 . 2]" 1
1829 2 7 ASN H 2 8 GLU HA . . 5.700 4.502 4.221 4.801 . 0 0 "[ . 1 . 2]" 1
1830 2 7 ASN HA 2 8 GLU H . . 3.500 2.427 2.118 2.604 . 0 0 "[ . 1 . 2]" 1
1831 2 7 ASN HB2 2 8 GLU H . . 5.000 2.388 2.022 3.094 . 0 0 "[ . 1 . 2]" 1
1832 2 7 ASN HB3 2 8 GLU H . . 5.000 3.738 3.483 4.112 . 0 0 "[ . 1 . 2]" 1
1833 2 7 ASN HD21 2 9 THR HA . . 5.700 4.267 3.382 5.085 . 0 0 "[ . 1 . 2]" 1
1834 2 7 ASN HD22 2 9 THR HA . . 5.700 4.810 3.566 5.735 0.035 14 0 "[ . 1 . 2]" 1
1835 2 8 GLU H 2 9 THR MG . . 7.020 6.233 6.042 6.429 . 0 0 "[ . 1 . 2]" 1
1836 2 8 GLU HA 2 9 THR H . . 2.800 2.296 2.164 2.387 . 0 0 "[ . 1 . 2]" 1
1837 2 8 GLU QG 2 9 THR H . . 7.480 3.936 3.224 4.617 . 0 0 "[ . 1 . 2]" 1
1838 2 9 THR H 2 10 GLN H . . 5.700 4.222 3.671 4.340 . 0 0 "[ . 1 . 2]" 1
1839 2 9 THR HA 2 10 GLN H . . 2.800 2.176 2.014 2.319 . 0 0 "[ . 1 . 2]" 1
1840 2 9 THR HB 2 10 GLN H . . 5.000 4.065 3.891 4.312 . 0 0 "[ . 1 . 2]" 1
1841 2 9 THR MG 2 10 GLN H . . 4.820 2.530 2.229 3.167 . 0 0 "[ . 1 . 2]" 1
1842 2 10 GLN H 2 10 GLN HB2 . . 4.000 2.584 2.130 2.817 . 0 0 "[ . 1 . 2]" 1
1843 2 10 GLN H 2 10 GLN HB3 . . 4.000 2.596 2.282 3.625 . 0 0 "[ . 1 . 2]" 1
1844 2 10 GLN H 2 10 GLN HG2 . . 5.000 4.277 2.785 4.469 . 0 0 "[ . 1 . 2]" 1
1845 2 10 GLN H 2 10 GLN HG3 . . 5.000 4.366 2.125 4.658 . 0 0 "[ . 1 . 2]" 1
1846 2 10 GLN H 2 11 VAL H . . 5.000 4.498 4.346 4.591 . 0 0 "[ . 1 . 2]" 1
1847 2 10 GLN HA 2 11 VAL H . . 3.500 2.125 2.025 2.220 . 0 0 "[ . 1 . 2]" 1
1848 2 10 GLN HB2 2 10 GLN HE22 . . 5.000 4.692 3.719 5.186 0.186 20 0 "[ . 1 . 2]" 1
1849 2 10 GLN HB2 2 11 VAL H . . 5.000 4.099 3.721 4.281 . 0 0 "[ . 1 . 2]" 1
1850 2 10 GLN HB3 2 10 GLN HE22 . . 5.000 4.158 3.608 4.596 . 0 0 "[ . 1 . 2]" 1
1851 2 10 GLN HB3 2 11 VAL H . . 5.000 3.923 2.666 4.153 . 0 0 "[ . 1 . 2]" 1
1852 2 10 GLN HE22 2 10 GLN HG2 . . 4.000 3.568 3.382 4.028 0.028 18 0 "[ . 1 . 2]" 1
1853 2 10 GLN HG2 2 11 VAL H . . 5.000 2.808 2.189 4.338 . 0 0 "[ . 1 . 2]" 1
1854 2 10 GLN HE22 2 10 GLN HG3 . . 4.000 3.769 3.473 4.028 0.028 12 0 "[ . 1 . 2]" 1
1855 2 10 GLN HG3 2 11 VAL H . . 5.000 3.537 2.917 4.760 . 0 0 "[ . 1 . 2]" 1
1856 1 7 LYS QE 2 11 VAL HB . . 8.180 7.060 4.038 8.250 0.070 8 0 "[ . 1 . 2]" 1
1857 1 14 PHE QE 2 11 VAL MG2 . . 9.150 3.208 2.765 5.084 . 0 0 "[ . 1 . 2]" 1
1858 1 15 SER HG 2 10 GLN HA . . 3.500 2.913 2.320 3.190 . 0 0 "[ . 1 . 2]" 1
1859 1 15 SER HG 2 10 GLN HB2 . . 5.700 2.848 2.178 5.071 . 0 0 "[ . 1 . 2]" 1
1860 1 15 SER HG 2 10 GLN HB3 . . 5.700 4.224 3.432 4.811 . 0 0 "[ . 1 . 2]" 1
1861 1 15 SER HG 2 10 GLN HG2 . . 5.000 4.386 2.042 5.075 0.075 12 0 "[ . 1 . 2]" 1
1862 1 15 SER HG 2 10 GLN HG3 . . 5.000 3.582 2.781 4.316 . 0 0 "[ . 1 . 2]" 1
1863 1 33 VAL HA 2 8 GLU QG . . 8.180 7.678 6.210 8.234 0.054 17 0 "[ . 1 . 2]" 1
1864 1 75 LYS HE2 2 11 VAL HA . . 5.000 2.776 2.137 4.031 . 0 0 "[ . 1 . 2]" 1
1865 1 75 LYS HE3 2 11 VAL HA . . 5.000 4.022 3.533 4.744 . 0 0 "[ . 1 . 2]" 1
1866 1 10 LYS QE 2 10 GLN HE21 . . 8.180 5.663 4.403 6.903 . 0 0 "[ . 1 . 2]" 1
1867 1 10 LYS QE 2 10 GLN HE22 . . 8.180 5.076 3.894 6.642 . 0 0 "[ . 1 . 2]" 1
1868 1 15 SER HA 2 11 VAL H . . 5.000 3.243 3.033 3.566 . 0 0 "[ . 1 . 2]" 1
1869 1 15 SER QB 2 11 VAL H . . 8.180 5.044 4.821 5.421 . 0 0 "[ . 1 . 2]" 1
1870 1 15 SER HG 2 11 VAL H . . 5.000 4.721 3.812 5.068 0.068 20 0 "[ . 1 . 2]" 1
1871 1 67 HIS HD2 2 9 THR H . . 5.700 5.633 5.060 6.272 0.572 12 2 "[ .- 1 + . 2]" 1
1872 1 67 HIS HE1 2 9 THR H . . 5.000 3.162 2.152 4.122 . 0 0 "[ . 1 . 2]" 1
1873 1 12 LEU HG 2 11 VAL HB . . 5.700 5.086 4.779 5.587 . 0 0 "[ . 1 . 2]" 1
1874 1 15 SER HA 2 8 GLU QG . . 8.180 5.298 4.197 6.063 . 0 0 "[ . 1 . 2]" 1
1875 1 15 SER HA 2 9 THR HA . . 5.700 4.727 4.276 5.365 . 0 0 "[ . 1 . 2]" 1
1876 1 15 SER HA 2 9 THR MG . . 7.020 4.933 4.639 5.651 . 0 0 "[ . 1 . 2]" 1
1877 1 15 SER HA 2 10 GLN HA . . 3.500 1.988 1.842 2.218 . 0 0 "[ . 1 . 2]" 1
1878 1 15 SER HA 2 10 GLN HB2 . . 5.000 3.981 3.606 4.887 . 0 0 "[ . 1 . 2]" 1
1879 1 15 SER HA 2 10 GLN HB3 . . 5.000 4.806 4.051 5.029 0.029 11 0 "[ . 1 . 2]" 1
1880 1 15 SER HA 2 10 GLN HG2 . . 5.000 4.473 3.206 5.031 0.031 14 0 "[ . 1 . 2]" 1
1881 1 15 SER HA 2 10 GLN HG3 . . 5.000 4.284 3.211 5.118 0.118 18 0 "[ . 1 . 2]" 1
1882 1 15 SER HA 2 11 VAL MG1 . . 7.020 4.599 3.664 6.379 . 0 0 "[ . 1 . 2]" 1
1883 1 15 SER HA 2 11 VAL MG2 . . 7.020 3.783 3.476 4.343 . 0 0 "[ . 1 . 2]" 1
1884 1 15 SER QB 2 8 GLU HB2 . . 8.180 2.517 1.993 3.044 . 0 0 "[ . 1 . 2]" 1
1885 1 15 SER QB 2 8 GLU HB3 . . 8.180 3.923 3.385 4.486 . 0 0 "[ . 1 . 2]" 1
1886 1 15 SER QB 2 8 GLU QG . . 9.960 3.145 1.986 3.878 . 0 0 "[ . 1 . 2]" 1
1887 1 15 SER QB 2 10 GLN HA . . 7.480 3.438 3.074 3.879 . 0 0 "[ . 1 . 2]" 1
1888 1 16 ILE QG 2 10 GLN HA . . 5.700 4.331 4.059 4.520 . 0 0 "[ . 1 . 2]" 1
1889 1 16 ILE MD 2 3 THR HB . . 6.320 5.844 5.471 6.235 . 0 0 "[ . 1 . 2]" 1
1890 1 16 ILE MD 2 9 THR HB . . 6.320 4.223 3.703 4.948 . 0 0 "[ . 1 . 2]" 1
1891 1 16 ILE MD 2 11 VAL HA . . 7.020 5.002 4.674 6.200 . 0 0 "[ . 1 . 2]" 1
1892 1 16 ILE MD 2 11 VAL MG1 . . 9.040 2.718 2.094 4.753 . 0 0 "[ . 1 . 2]" 1
1893 1 16 ILE MD 2 11 VAL MG2 . . 9.040 3.305 2.364 3.792 . 0 0 "[ . 1 . 2]" 1
1894 1 17 ALA HA 2 5 GLN HA . . 5.700 5.717 5.325 6.006 0.306 14 0 "[ . 1 . 2]" 1
1895 1 17 ALA HA 2 8 GLU HA . . 5.700 2.911 2.668 3.205 . 0 0 "[ . 1 . 2]" 1
1896 1 17 ALA HA 2 8 GLU HB2 . . 5.000 4.664 4.015 5.031 0.031 6 0 "[ . 1 . 2]" 1
1897 1 17 ALA HA 2 8 GLU HB3 . . 5.000 4.428 3.600 4.938 . 0 0 "[ . 1 . 2]" 1
1898 1 17 ALA HA 2 8 GLU QG . . 7.480 5.794 5.472 6.184 . 0 0 "[ . 1 . 2]" 1
1899 1 17 ALA MB 2 6 ARG HA . . 6.320 4.906 3.706 5.568 . 0 0 "[ . 1 . 2]" 1
1900 1 17 ALA MB 2 7 ASN HA . . 7.020 4.164 3.851 4.440 . 0 0 "[ . 1 . 2]" 1
1901 1 17 ALA MB 2 7 ASN HB2 . . 6.320 5.482 5.205 5.813 . 0 0 "[ . 1 . 2]" 1
1902 1 17 ALA MB 2 7 ASN HB3 . . 6.320 6.001 5.698 6.349 0.029 9 0 "[ . 1 . 2]" 1
1903 1 17 ALA MB 2 8 GLU HA . . 6.320 2.345 2.020 2.782 . 0 0 "[ . 1 . 2]" 1
1904 1 17 ALA MB 2 8 GLU HB2 . . 6.320 3.157 2.434 3.734 . 0 0 "[ . 1 . 2]" 1
1905 1 17 ALA MB 2 8 GLU HB3 . . 6.320 2.316 1.890 2.799 . 0 0 "[ . 1 . 2]" 1
1906 1 17 ALA MB 2 8 GLU QG . . 7.400 3.998 3.631 4.328 . 0 0 "[ . 1 . 2]" 1
1907 1 22 ASN HA 2 6 ARG HA . . 5.700 3.301 2.187 4.181 . 0 0 "[ . 1 . 2]" 1
1908 1 22 ASN HA 2 6 ARG HD2 . . 5.700 3.407 2.067 5.594 . 0 0 "[ . 1 . 2]" 1
1909 1 22 ASN HA 2 6 ARG HD3 . . 5.700 3.730 2.570 5.178 . 0 0 "[ . 1 . 2]" 1
1910 1 34 THR HB 2 8 GLU QG . . 8.180 4.110 2.730 5.005 . 0 0 "[ . 1 . 2]" 1
1911 1 34 THR MG 2 7 ASN HA . . 7.020 6.076 5.366 6.918 . 0 0 "[ . 1 . 2]" 1
1912 1 34 THR MG 2 8 GLU HA . . 7.020 4.932 4.625 5.583 . 0 0 "[ . 1 . 2]" 1
1913 1 34 THR MG 2 8 GLU HB2 . . 7.020 3.884 3.494 4.476 . 0 0 "[ . 1 . 2]" 1
1914 1 34 THR MG 2 8 GLU HB3 . . 7.020 3.042 2.632 3.962 . 0 0 "[ . 1 . 2]" 1
1915 1 34 THR MG 2 8 GLU QG . . 9.100 3.740 2.645 4.486 . 0 0 "[ . 1 . 2]" 1
1916 1 35 LYS HB2 2 8 GLU QG . . 8.180 4.771 2.195 5.968 . 0 0 "[ . 1 . 2]" 1
1917 1 35 LYS HB3 2 8 GLU QG . . 8.180 5.662 3.706 6.996 . 0 0 "[ . 1 . 2]" 1
1918 1 35 LYS QE 2 8 GLU QG . . 10.160 5.154 2.236 7.009 . 0 0 "[ . 1 . 2]" 1
1919 1 37 ILE MD 2 10 GLN HA . . 7.020 4.762 3.862 5.847 . 0 0 "[ . 1 . 2]" 1
1920 1 37 ILE MD 2 10 GLN HG2 . . 6.320 4.549 2.716 5.837 . 0 0 "[ . 1 . 2]" 1
1921 1 37 ILE MD 2 10 GLN HG3 . . 6.320 3.502 2.245 4.953 . 0 0 "[ . 1 . 2]" 1
1922 1 68 GLU HA 2 9 THR MG . . 6.320 5.307 4.160 6.350 0.030 6 0 "[ . 1 . 2]" 1
1923 1 71 VAL HA 2 3 THR HB . . 5.700 5.777 5.315 5.946 0.246 15 0 "[ . 1 . 2]" 1
1924 1 71 VAL HA 2 9 THR MG . . 7.020 5.149 4.316 6.233 . 0 0 "[ . 1 . 2]" 1
1925 1 71 VAL HA 2 11 VAL MG1 . . 7.020 3.088 2.393 5.013 . 0 0 "[ . 1 . 2]" 1
1926 1 71 VAL HA 2 11 VAL MG2 . . 7.020 4.605 2.932 5.424 . 0 0 "[ . 1 . 2]" 1
1927 1 71 VAL HB 2 9 THR HB . . 5.700 4.539 3.908 5.281 . 0 0 "[ . 1 . 2]" 1
1928 1 71 VAL HB 2 9 THR MG . . 6.320 3.954 3.257 5.111 . 0 0 "[ . 1 . 2]" 1
1929 1 71 VAL MG1 2 9 THR HA . . 7.020 4.874 4.399 5.694 . 0 0 "[ . 1 . 2]" 1
1930 1 71 VAL MG1 2 9 THR HB . . 6.320 2.871 2.309 3.625 . 0 0 "[ . 1 . 2]" 1
1931 1 71 VAL MG1 2 9 THR MG . . 6.840 2.214 1.824 3.180 . 0 0 "[ . 1 . 2]" 1
1932 1 71 VAL MG2 2 9 THR HA . . 7.020 4.907 4.568 5.691 . 0 0 "[ . 1 . 2]" 1
1933 1 71 VAL MG2 2 9 THR HB . . 6.320 2.361 1.975 3.127 . 0 0 "[ . 1 . 2]" 1
1934 1 71 VAL MG2 2 9 THR MG . . 6.840 2.892 1.944 3.840 . 0 0 "[ . 1 . 2]" 1
1935 1 72 THR HA 2 3 THR MG . . 7.020 4.705 3.530 6.894 . 0 0 "[ . 1 . 2]" 1
1936 1 74 LEU HA 2 11 VAL MG1 . . 7.020 4.421 3.688 4.822 . 0 0 "[ . 1 . 2]" 1
1937 1 74 LEU HA 2 11 VAL MG2 . . 7.020 5.188 4.528 5.718 . 0 0 "[ . 1 . 2]" 1
1938 1 74 LEU HB2 2 11 VAL HB . . 5.000 3.303 2.236 5.115 0.115 17 0 "[ . 1 . 2]" 1
1939 1 74 LEU HB3 2 11 VAL HB . . 5.000 2.993 2.104 4.199 . 0 0 "[ . 1 . 2]" 1
1940 1 75 LYS HA 2 11 VAL HB . . 5.000 4.299 3.810 5.064 0.064 18 0 "[ . 1 . 2]" 1
1941 1 75 LYS HD2 2 9 THR MG . . 7.020 4.782 4.073 6.108 . 0 0 "[ . 1 . 2]" 1
1942 1 75 LYS HD3 2 9 THR MG . . 7.020 5.369 4.729 6.049 . 0 0 "[ . 1 . 2]" 1
1943 1 75 LYS HE2 2 9 THR MG . . 6.320 3.186 2.536 4.005 . 0 0 "[ . 1 . 2]" 1
1944 1 75 LYS HE3 2 9 THR MG . . 6.320 3.416 2.769 4.080 . 0 0 "[ . 1 . 2]" 1
1945 1 77 THR MG 2 11 VAL HB . . 7.020 6.001 5.406 6.993 . 0 0 "[ . 1 . 2]" 1
1946 1 14 PHE QE 2 11 VAL HB . . 7.130 4.778 3.312 5.273 . 0 0 "[ . 1 . 2]" 1
1947 1 14 PHE QE 2 11 VAL MG1 . . 9.150 4.147 3.720 4.884 . 0 0 "[ . 1 . 2]" 1
1948 1 67 HIS HE1 2 3 THR HB . . 5.700 5.705 2.218 7.616 1.916 10 8 "[ *. - +* * .** *2]" 1
1949 1 67 HIS HE1 2 8 GLU HA . . 5.000 3.345 2.380 4.659 . 0 0 "[ . 1 . 2]" 1
1950 1 67 HIS HE1 2 8 GLU QG . . 8.180 6.139 5.144 7.081 . 0 0 "[ . 1 . 2]" 1
1951 1 14 PHE H 2 11 VAL H . . 5.000 2.901 2.738 3.498 . 0 0 "[ . 1 . 2]" 1
1952 1 14 PHE H 2 11 VAL HB . . 5.700 4.660 3.161 5.712 0.012 14 0 "[ . 1 . 2]" 1
1953 1 16 ILE H 2 9 THR H . . 5.000 2.696 2.400 3.001 . 0 0 "[ . 1 . 2]" 1
1954 1 16 ILE H 2 9 THR MG . . 7.020 4.769 4.055 5.262 . 0 0 "[ . 1 . 2]" 1
1955 1 18 GLY H 2 5 GLN HA . . 5.700 5.135 4.682 5.636 . 0 0 "[ . 1 . 2]" 1
1956 1 22 ASN HD21 2 5 GLN HA . . 5.700 3.539 1.964 5.778 0.078 10 0 "[ . 1 . 2]" 1
1957 1 22 ASN HD21 2 7 ASN HA . . 5.700 5.619 4.821 5.863 0.163 15 0 "[ . 1 . 2]" 1
1958 1 22 ASN HD22 2 5 GLN HA . . 5.700 3.779 2.976 4.947 . 0 0 "[ . 1 . 2]" 1
1959 1 22 ASN HD22 2 7 ASN HA . . 5.700 4.187 3.710 4.574 . 0 0 "[ . 1 . 2]" 1
1960 1 75 LYS H 2 11 VAL HB . . 5.700 4.924 4.306 5.764 0.064 8 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 550
_Distance_constraint_stats_list.Viol_count 91
_Distance_constraint_stats_list.Viol_total 87.276
_Distance_constraint_stats_list.Viol_max 0.187
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0480
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 0.006 0.006 3 0 "[ . 1 . 2]"
1 2 GLU 0.398 0.108 5 0 "[ . 1 . 2]"
1 3 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 0.012 0.012 13 0 "[ . 1 . 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.004 0.004 10 0 "[ . 1 . 2]"
1 7 LYS 0.004 0.004 10 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.400 0.092 16 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.095 0.052 4 0 "[ . 1 . 2]"
1 22 ASN 1.002 0.187 15 0 "[ . 1 . 2]"
1 23 GLN 0.269 0.055 11 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.068 0.026 4 0 "[ . 1 . 2]"
1 29 ASN 0.114 0.026 15 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.092 0.049 6 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.128 0.052 18 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.122 0.052 18 0 "[ . 1 . 2]"
1 50 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.188 0.056 19 0 "[ . 1 . 2]"
1 54 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 HIS 1.418 0.121 7 0 "[ . 1 . 2]"
1 68 GLU 0.381 0.167 5 0 "[ . 1 . 2]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 THR 0.381 0.167 5 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 76 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 PHE 0.064 0.057 10 0 "[ . 1 . 2]"
1 81 VAL 0.012 0.012 13 0 "[ . 1 . 2]"
1 82 TYR 0.420 0.108 5 0 "[ . 1 . 2]"
1 83 LEU 0.043 0.021 14 0 "[ . 1 . 2]"
1 84 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PRO 0.125 0.056 19 0 "[ . 1 . 2]"
1 93 HIS 0.030 0.030 20 0 "[ . 1 . 2]"
2 3 THR 0.400 0.092 16 0 "[ . 1 . 2]"
2 4 ARG 0.779 0.187 15 0 "[ . 1 . 2]"
2 5 GLN 0.100 0.100 14 0 "[ . 1 . 2]"
2 6 ARG 0.553 0.121 7 0 "[ . 1 . 2]"
2 7 ASN 1.116 0.114 1 0 "[ . 1 . 2]"
2 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 VAL 0.002 0.002 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 85 VAL QG . . 8.020 4.327 4.064 5.263 . 0 0 "[ . 1 . 2]" 2
2 1 1 MET QB 1 84 LYS QG . . 7.120 5.225 4.689 6.366 . 0 0 "[ . 1 . 2]" 2
3 1 1 MET QB 1 85 VAL H . . 6.410 3.507 3.271 3.690 . 0 0 "[ . 1 . 2]" 2
4 1 1 MET QB 1 85 VAL QG . . 7.650 2.211 1.883 3.111 . 0 0 "[ . 1 . 2]" 2
5 1 1 MET QB 1 87 LYS QE . . 7.120 4.388 2.883 5.841 . 0 0 "[ . 1 . 2]" 2
6 1 1 MET QG 1 47 LYS QD . . 6.690 5.569 4.512 6.696 0.006 3 0 "[ . 1 . 2]" 2
7 1 1 MET QG 1 84 LYS QD . . 8.780 7.610 5.666 8.466 . 0 0 "[ . 1 . 2]" 2
8 1 1 MET QG 1 85 VAL QG . . 8.080 2.570 2.017 3.862 . 0 0 "[ . 1 . 2]" 2
9 1 1 MET QG 1 87 LYS QG . . 8.780 5.606 4.492 7.127 . 0 0 "[ . 1 . 2]" 2
10 1 2 GLU H 1 84 LYS QG . . 6.410 4.994 4.137 6.253 . 0 0 "[ . 1 . 2]" 2
11 1 2 GLU HA 1 3 ILE QG . . 6.410 3.083 2.825 3.327 . 0 0 "[ . 1 . 2]" 2
12 1 2 GLU HA 1 84 LYS QG . . 6.410 3.946 3.337 4.882 . 0 0 "[ . 1 . 2]" 2
13 1 2 GLU HA 1 85 VAL QG . . 7.350 3.286 2.826 4.205 . 0 0 "[ . 1 . 2]" 2
14 1 2 GLU QB 1 3 ILE HA . . 6.410 4.437 4.265 4.682 . 0 0 "[ . 1 . 2]" 2
15 1 2 GLU QB 1 3 ILE MD . . 7.710 5.534 5.325 5.838 . 0 0 "[ . 1 . 2]" 2
16 1 2 GLU QB 1 82 TYR QD . . 8.540 3.399 2.086 4.334 . 0 0 "[ . 1 . 2]" 2
17 1 2 GLU QB 1 82 TYR QE . . 8.540 3.851 2.368 6.096 . 0 0 "[ . 1 . 2]" 2
18 1 2 GLU QG 1 82 TYR QB . . 6.110 5.417 4.417 6.218 0.108 5 0 "[ . 1 . 2]" 2
19 1 2 GLU QG 1 82 TYR QE . . 8.550 4.093 2.455 6.432 . 0 0 "[ . 1 . 2]" 2
20 1 2 GLU QG 1 83 LEU H . . 6.410 6.110 5.540 6.431 0.021 14 0 "[ . 1 . 2]" 2
21 1 2 GLU QG 1 84 LYS QB . . 8.130 4.793 4.336 5.896 . 0 0 "[ . 1 . 2]" 2
22 1 2 GLU QG 1 84 LYS QG . . 6.460 3.944 3.247 5.714 . 0 0 "[ . 1 . 2]" 2
23 1 3 ILE H 1 83 LEU QB . . 5.760 3.244 2.934 3.472 . 0 0 "[ . 1 . 2]" 2
24 1 3 ILE HB 1 85 VAL QG . . 7.350 3.725 3.330 4.203 . 0 0 "[ . 1 . 2]" 2
25 1 3 ILE MG 1 45 ASP QB . . 7.710 4.676 3.191 5.608 . 0 0 "[ . 1 . 2]" 2
26 1 3 ILE MG 1 47 LYS QB . . 7.050 4.376 3.769 4.871 . 0 0 "[ . 1 . 2]" 2
27 1 3 ILE MG 1 48 LEU QD . . 9.320 3.364 2.316 4.088 . 0 0 "[ . 1 . 2]" 2
28 1 3 ILE QG 1 47 LYS QD . . 6.510 2.749 1.996 4.250 . 0 0 "[ . 1 . 2]" 2
29 1 3 ILE QG 1 85 VAL HB . . 5.760 4.478 3.509 5.068 . 0 0 "[ . 1 . 2]" 2
30 1 3 ILE MD 1 47 LYS QB . . 7.060 4.362 3.874 4.740 . 0 0 "[ . 1 . 2]" 2
31 1 3 ILE MD 1 48 LEU QD . . 9.330 2.077 1.843 2.345 . 0 0 "[ . 1 . 2]" 2
32 1 4 LYS H 1 47 LYS QD . . 5.760 4.270 3.401 5.547 . 0 0 "[ . 1 . 2]" 2
33 1 4 LYS HA 1 5 LEU QD . . 8.020 4.527 4.208 4.987 . 0 0 "[ . 1 . 2]" 2
34 1 4 LYS HA 1 81 VAL QG . . 7.350 4.340 4.041 4.606 . 0 0 "[ . 1 . 2]" 2
35 1 4 LYS QB 1 80 PHE QE . . 8.540 4.286 2.176 5.231 . 0 0 "[ . 1 . 2]" 2
36 1 4 LYS QB 1 82 TYR QB . . 7.110 4.837 4.378 5.425 . 0 0 "[ . 1 . 2]" 2
37 1 4 LYS QB 1 82 TYR QD . . 8.540 3.528 2.757 5.719 . 0 0 "[ . 1 . 2]" 2
38 1 4 LYS QG 1 5 LEU H . . 5.760 3.081 2.407 4.354 . 0 0 "[ . 1 . 2]" 2
39 1 4 LYS QG 1 81 VAL H . . 5.760 3.790 3.042 5.772 0.012 13 0 "[ . 1 . 2]" 2
40 1 5 LEU HA 1 12 LEU QD . . 8.020 5.749 4.106 6.483 . 0 0 "[ . 1 . 2]" 2
41 1 5 LEU HA 1 45 ASP QB . . 6.410 3.737 2.048 4.585 . 0 0 "[ . 1 . 2]" 2
42 1 5 LEU HA 1 81 VAL QG . . 8.020 4.565 4.323 4.961 . 0 0 "[ . 1 . 2]" 2
43 1 5 LEU QB 1 6 ILE HB . . 6.410 4.974 4.685 5.520 . 0 0 "[ . 1 . 2]" 2
44 1 5 LEU QB 1 7 LYS H . . 6.410 4.417 4.049 5.072 . 0 0 "[ . 1 . 2]" 2
45 1 5 LEU QB 1 81 VAL HA . . 6.410 4.675 4.532 4.849 . 0 0 "[ . 1 . 2]" 2
46 1 5 LEU QB 1 81 VAL QG . . 8.080 2.531 2.308 2.851 . 0 0 "[ . 1 . 2]" 2
47 1 5 LEU HG 1 81 VAL QG . . 7.350 4.102 3.442 4.678 . 0 0 "[ . 1 . 2]" 2
48 1 5 LEU QD 1 6 ILE H . . 7.340 2.936 1.977 3.668 . 0 0 "[ . 1 . 2]" 2
49 1 5 LEU QD 1 6 ILE HA . . 8.020 4.753 4.013 5.155 . 0 0 "[ . 1 . 2]" 2
50 1 5 LEU QD 1 12 LEU HA . . 7.340 3.821 3.239 4.850 . 0 0 "[ . 1 . 2]" 2
51 1 5 LEU QD 1 14 PHE QE . . 8.010 2.595 2.239 3.541 . 0 0 "[ . 1 . 2]" 2
52 1 5 LEU QD 1 41 ALA H . . 7.340 4.801 4.214 5.525 . 0 0 "[ . 1 . 2]" 2
53 1 5 LEU QD 1 41 ALA HA . . 8.020 4.385 3.855 5.404 . 0 0 "[ . 1 . 2]" 2
54 1 5 LEU QD 1 42 ALA HA . . 5.820 2.012 1.847 2.387 . 0 0 "[ . 1 . 2]" 2
55 1 5 LEU QD 1 45 ASP H . . 7.340 4.044 3.544 4.871 . 0 0 "[ . 1 . 2]" 2
56 1 5 LEU QD 1 45 ASP HA . . 7.340 4.656 4.092 5.345 . 0 0 "[ . 1 . 2]" 2
57 1 5 LEU QD 1 45 ASP QB . . 6.340 2.585 2.015 3.600 . 0 0 "[ . 1 . 2]" 2
58 1 5 LEU QD 1 46 GLY H . . 7.340 3.055 2.562 3.718 . 0 0 "[ . 1 . 2]" 2
59 1 5 LEU QD 1 48 LEU QD . . 10.310 3.001 2.530 4.279 . 0 0 "[ . 1 . 2]" 2
60 1 5 LEU QD 1 81 VAL HB . . 7.060 3.237 2.809 3.551 . 0 0 "[ . 1 . 2]" 2
61 1 6 ILE MG 1 7 LYS QB . . 7.050 3.991 3.524 4.383 . 0 0 "[ . 1 . 2]" 2
62 1 6 ILE MG 1 80 PHE QB . . 7.710 4.425 4.176 4.827 . 0 0 "[ . 1 . 2]" 2
63 1 6 ILE QG 1 7 LYS H . . 4.810 4.405 3.932 4.814 0.004 10 0 "[ . 1 . 2]" 2
64 1 6 ILE QG 1 79 ASP HA . . 5.760 5.011 4.041 5.734 . 0 0 "[ . 1 . 2]" 2
65 1 6 ILE QG 1 79 ASP QB . . 8.130 5.067 3.867 6.253 . 0 0 "[ . 1 . 2]" 2
66 1 6 ILE QG 1 80 PHE QB . . 6.690 4.738 3.969 5.477 . 0 0 "[ . 1 . 2]" 2
67 1 7 LYS HA 1 12 LEU QD . . 7.060 3.601 2.079 4.064 . 0 0 "[ . 1 . 2]" 2
68 1 7 LYS HA 1 81 VAL QG . . 7.350 3.449 3.137 3.765 . 0 0 "[ . 1 . 2]" 2
69 1 7 LYS QB 1 12 LEU QD . . 8.070 3.278 2.072 4.145 . 0 0 "[ . 1 . 2]" 2
70 1 7 LYS QB 1 78 SER QB . . 8.770 4.506 3.892 4.828 . 0 0 "[ . 1 . 2]" 2
71 1 7 LYS QB 1 79 ASP H . . 5.750 1.817 1.657 2.387 . 0 0 "[ . 1 . 2]" 2
72 1 7 LYS QB 1 79 ASP HA . . 4.320 2.564 1.878 3.560 . 0 0 "[ . 1 . 2]" 2
73 1 7 LYS QB 1 80 PHE H . . 6.410 3.004 2.580 3.473 . 0 0 "[ . 1 . 2]" 2
74 1 7 LYS QB 1 81 VAL QG . . 7.570 2.379 1.908 3.037 . 0 0 "[ . 1 . 2]" 2
75 1 7 LYS QG 1 8 GLY H . . 4.340 2.150 1.691 2.983 . 0 0 "[ . 1 . 2]" 2
76 1 7 LYS QG 1 11 GLY H . . 6.410 3.940 3.555 4.262 . 0 0 "[ . 1 . 2]" 2
77 1 7 LYS QG 1 12 LEU QD . . 7.650 2.638 1.963 3.730 . 0 0 "[ . 1 . 2]" 2
78 1 7 LYS QG 1 77 THR H . . 6.410 4.641 3.570 5.848 . 0 0 "[ . 1 . 2]" 2
79 1 7 LYS QG 1 77 THR MG . . 7.060 4.608 3.891 5.376 . 0 0 "[ . 1 . 2]" 2
80 1 7 LYS QG 1 78 SER HA . . 5.760 3.381 2.454 3.915 . 0 0 "[ . 1 . 2]" 2
81 1 7 LYS QD 1 11 GLY QA . . 8.130 3.542 2.068 4.403 . 0 0 "[ . 1 . 2]" 2
82 1 7 LYS QE 1 12 LEU QD . . 9.710 3.742 2.039 4.884 . 0 0 "[ . 1 . 2]" 2
83 1 7 LYS QE 1 81 VAL QG . . 9.720 5.020 3.931 5.792 . 0 0 "[ . 1 . 2]" 2
84 1 8 GLY H 1 10 LYS QB . . 6.410 5.307 4.773 6.021 . 0 0 "[ . 1 . 2]" 2
85 1 8 GLY H 1 12 LEU QD . . 7.340 4.258 3.764 4.646 . 0 0 "[ . 1 . 2]" 2
86 1 8 GLY QA 1 9 PRO QB . . 6.540 4.334 4.284 4.394 . 0 0 "[ . 1 . 2]" 2
87 1 8 GLY QA 1 10 LYS H . . 5.750 3.325 2.968 3.936 . 0 0 "[ . 1 . 2]" 2
88 1 8 GLY QA 1 41 ALA MB . . 6.870 3.568 2.412 4.762 . 0 0 "[ . 1 . 2]" 2
89 1 9 PRO QB 1 10 LYS HA . . 6.420 4.108 3.902 4.269 . 0 0 "[ . 1 . 2]" 2
90 1 9 PRO QB 1 10 LYS QG . . 6.700 4.426 2.652 5.892 . 0 0 "[ . 1 . 2]" 2
91 1 9 PRO QB 1 10 LYS QD . . 8.780 5.359 4.248 6.534 . 0 0 "[ . 1 . 2]" 2
92 1 9 PRO QB 1 11 GLY H . . 6.420 4.542 4.141 4.797 . 0 0 "[ . 1 . 2]" 2
93 1 9 PRO QD 1 10 LYS QB . . 7.120 4.114 3.667 4.947 . 0 0 "[ . 1 . 2]" 2
94 1 9 PRO QD 1 10 LYS QD . . 8.780 5.772 4.791 6.696 . 0 0 "[ . 1 . 2]" 2
95 1 9 PRO QD 1 11 GLY H . . 6.420 4.291 3.672 4.435 . 0 0 "[ . 1 . 2]" 2
96 1 10 LYS H 1 11 GLY QA . . 5.750 4.176 4.021 4.389 . 0 0 "[ . 1 . 2]" 2
97 1 10 LYS HA 1 11 GLY QA . . 6.410 4.139 3.961 4.270 . 0 0 "[ . 1 . 2]" 2
98 1 10 LYS QE 2 10 GLN QG . . 8.780 5.912 3.161 7.132 . 0 0 "[ . 1 . 2]" 2
99 1 11 GLY H 1 12 LEU QD . . 8.020 4.984 4.781 5.819 . 0 0 "[ . 1 . 2]" 2
100 1 11 GLY QA 1 12 LEU HA . . 5.750 3.889 3.806 3.931 . 0 0 "[ . 1 . 2]" 2
101 1 11 GLY QA 1 12 LEU QD . . 8.070 2.926 2.652 4.463 . 0 0 "[ . 1 . 2]" 2
102 1 11 GLY QA 1 14 PHE H . . 6.410 5.486 4.787 6.151 . 0 0 "[ . 1 . 2]" 2
103 1 11 GLY QA 1 41 ALA MB . . 7.710 5.129 4.310 5.786 . 0 0 "[ . 1 . 2]" 2
104 1 11 GLY QA 2 11 VAL QG . . 8.700 4.265 3.650 5.068 . 0 0 "[ . 1 . 2]" 2
105 1 12 LEU QB 1 14 PHE QD . . 7.890 2.687 2.253 3.413 . 0 0 "[ . 1 . 2]" 2
106 1 12 LEU QB 1 14 PHE QE . . 7.890 2.105 1.952 3.341 . 0 0 "[ . 1 . 2]" 2
107 1 12 LEU QB 1 14 PHE HZ . . 5.760 3.939 3.591 4.932 . 0 0 "[ . 1 . 2]" 2
108 1 12 LEU QB 2 11 VAL QG . . 7.890 2.124 1.867 3.103 . 0 0 "[ . 1 . 2]" 2
109 1 12 LEU QD 1 14 PHE H . . 7.340 4.501 4.263 4.682 . 0 0 "[ . 1 . 2]" 2
110 1 12 LEU QD 1 14 PHE HZ . . 5.880 2.816 2.353 3.057 . 0 0 "[ . 1 . 2]" 2
111 1 12 LEU QD 1 74 LEU HA . . 7.340 3.405 3.141 4.507 . 0 0 "[ . 1 . 2]" 2
112 1 12 LEU QD 1 77 THR MG . . 9.320 2.836 2.274 3.999 . 0 0 "[ . 1 . 2]" 2
113 1 12 LEU QD 2 11 VAL H . . 7.340 4.637 4.258 5.283 . 0 0 "[ . 1 . 2]" 2
114 1 12 LEU QD 2 11 VAL HA . . 7.340 4.132 3.708 5.290 . 0 0 "[ . 1 . 2]" 2
115 1 12 LEU QD 2 11 VAL HB . . 7.340 2.361 2.000 3.437 . 0 0 "[ . 1 . 2]" 2
116 1 12 LEU QD 2 11 VAL QG . . 10.310 2.184 1.791 2.794 . 0 0 "[ . 1 . 2]" 2
117 1 13 GLY H 2 11 VAL QG . . 8.020 3.145 2.346 4.155 . 0 0 "[ . 1 . 2]" 2
118 1 13 GLY QA 1 40 GLY H . . 6.410 4.035 3.287 4.760 . 0 0 "[ . 1 . 2]" 2
119 1 13 GLY QA 1 41 ALA MB . . 7.050 4.469 3.778 5.216 . 0 0 "[ . 1 . 2]" 2
120 1 13 GLY QA 1 42 ALA H . . 5.750 3.742 3.364 4.160 . 0 0 "[ . 1 . 2]" 2
121 1 13 GLY QA 1 43 HIS H . . 6.410 4.655 4.289 5.023 . 0 0 "[ . 1 . 2]" 2
122 1 13 GLY QA 2 10 GLN QE . . 7.090 3.320 2.361 5.751 . 0 0 "[ . 1 . 2]" 2
123 1 14 PHE H 2 10 GLN QG . . 5.760 3.171 2.366 5.227 . 0 0 "[ . 1 . 2]" 2
124 1 14 PHE H 2 11 VAL QG . . 7.350 2.820 2.035 4.293 . 0 0 "[ . 1 . 2]" 2
125 1 14 PHE HA 1 48 LEU QD . . 8.400 5.287 4.971 6.100 . 0 0 "[ . 1 . 2]" 2
126 1 14 PHE QB 1 33 VAL HA . . 6.410 4.573 4.285 4.902 . 0 0 "[ . 1 . 2]" 2
127 1 14 PHE QB 1 33 VAL QG . . 7.410 2.397 2.110 2.733 . 0 0 "[ . 1 . 2]" 2
128 1 14 PHE QB 1 36 ILE QG . . 6.100 2.362 2.208 2.586 . 0 0 "[ . 1 . 2]" 2
129 1 14 PHE QB 1 37 ILE QG . . 6.100 3.991 3.847 4.296 . 0 0 "[ . 1 . 2]" 2
130 1 14 PHE QB 1 48 LEU QD . . 8.250 3.111 2.825 3.909 . 0 0 "[ . 1 . 2]" 2
131 1 14 PHE QD 2 11 VAL QG . . 10.150 3.265 2.850 4.630 . 0 0 "[ . 1 . 2]" 2
132 1 14 PHE QE 1 62 LEU QD . . 10.150 5.289 4.961 5.685 . 0 0 "[ . 1 . 2]" 2
133 1 14 PHE QE 1 83 LEU QD . . 9.480 2.828 2.211 3.134 . 0 0 "[ . 1 . 2]" 2
134 1 14 PHE QE 2 11 VAL QG . . 9.200 3.065 2.730 4.340 . 0 0 "[ . 1 . 2]" 2
135 1 14 PHE HZ 1 33 VAL QG . . 7.350 4.042 3.702 4.398 . 0 0 "[ . 1 . 2]" 2
136 1 14 PHE HZ 1 74 LEU QD . . 5.880 2.182 2.052 2.427 . 0 0 "[ . 1 . 2]" 2
137 1 14 PHE HZ 1 81 VAL QG . . 8.020 4.536 3.656 4.941 . 0 0 "[ . 1 . 2]" 2
138 1 14 PHE HZ 1 83 LEU QD . . 7.340 2.213 2.080 2.446 . 0 0 "[ . 1 . 2]" 2
139 1 15 SER H 1 33 VAL QG . . 7.350 3.432 3.067 3.893 . 0 0 "[ . 1 . 2]" 2
140 1 15 SER H 2 10 GLN QG . . 6.410 4.558 3.864 5.136 . 0 0 "[ . 1 . 2]" 2
141 1 15 SER HA 1 16 ILE QG . . 5.580 3.567 3.374 3.826 . 0 0 "[ . 1 . 2]" 2
142 1 15 SER QB 2 10 GLN QB . . 8.770 3.958 3.402 4.998 . 0 0 "[ . 1 . 2]" 2
143 1 15 SER QB 2 10 GLN QG . . 7.900 4.423 2.781 5.001 . 0 0 "[ . 1 . 2]" 2
144 1 15 SER HG 2 11 VAL QG . . 8.020 5.252 4.364 6.213 . 0 0 "[ . 1 . 2]" 2
145 1 16 ILE H 1 33 VAL QG . . 7.350 4.900 4.503 5.116 . 0 0 "[ . 1 . 2]" 2
146 1 16 ILE H 2 10 GLN QB . . 6.410 5.271 4.974 5.439 . 0 0 "[ . 1 . 2]" 2
147 1 16 ILE H 2 10 GLN QG . . 6.410 5.478 4.668 5.776 . 0 0 "[ . 1 . 2]" 2
148 1 16 ILE HB 1 33 VAL QG . . 7.350 4.275 4.041 4.469 . 0 0 "[ . 1 . 2]" 2
149 1 16 ILE HB 1 54 LEU QD . . 7.340 3.396 2.569 3.965 . 0 0 "[ . 1 . 2]" 2
150 1 16 ILE MG 1 33 VAL QG . . 7.880 2.357 1.989 2.721 . 0 0 "[ . 1 . 2]" 2
151 1 16 ILE MG 1 48 LEU QD . . 9.320 4.059 3.864 4.418 . 0 0 "[ . 1 . 2]" 2
152 1 16 ILE MG 2 11 VAL QG . . 9.330 2.903 2.336 3.689 . 0 0 "[ . 1 . 2]" 2
153 1 16 ILE QG 1 17 ALA MB . . 7.060 4.699 4.578 4.828 . 0 0 "[ . 1 . 2]" 2
154 1 16 ILE QG 1 32 TYR H . . 6.410 5.434 5.149 5.634 . 0 0 "[ . 1 . 2]" 2
155 1 16 ILE QG 1 54 LEU QD . . 8.080 4.097 3.679 4.569 . 0 0 "[ . 1 . 2]" 2
156 1 16 ILE QG 1 71 VAL H . . 6.410 5.027 4.765 5.510 . 0 0 "[ . 1 . 2]" 2
157 1 16 ILE QG 2 3 THR HB . . 6.410 6.021 5.337 6.502 0.092 16 0 "[ . 1 . 2]" 2
158 1 16 ILE QG 2 9 THR H . . 5.580 3.228 3.052 3.439 . 0 0 "[ . 1 . 2]" 2
159 1 16 ILE QG 2 9 THR HB . . 6.410 3.394 2.812 4.114 . 0 0 "[ . 1 . 2]" 2
160 1 16 ILE QG 2 10 GLN H . . 6.410 5.350 5.125 5.646 . 0 0 "[ . 1 . 2]" 2
161 1 16 ILE QG 2 11 VAL QG . . 7.510 2.384 2.118 3.072 . 0 0 "[ . 1 . 2]" 2
162 1 16 ILE MD 1 31 ILE QG . . 7.060 3.764 3.253 3.957 . 0 0 "[ . 1 . 2]" 2
163 1 16 ILE MD 2 11 VAL QG . . 8.990 2.288 2.066 3.041 . 0 0 "[ . 1 . 2]" 2
164 1 17 ALA H 1 32 TYR QB . . 5.760 3.745 3.463 3.907 . 0 0 "[ . 1 . 2]" 2
165 1 17 ALA H 1 33 VAL QG . . 7.350 4.744 4.549 4.884 . 0 0 "[ . 1 . 2]" 2
166 1 17 ALA MB 1 67 HIS QB . . 8.080 5.454 5.187 5.869 . 0 0 "[ . 1 . 2]" 2
167 1 18 GLY H 1 24 HIS QB . . 6.410 4.832 4.437 5.278 . 0 0 "[ . 1 . 2]" 2
168 1 18 GLY H 1 67 HIS QB . . 5.760 3.562 3.150 4.026 . 0 0 "[ . 1 . 2]" 2
169 1 18 GLY H 2 8 GLU QB . . 6.410 5.806 5.285 6.246 . 0 0 "[ . 1 . 2]" 2
170 1 18 GLY QA 1 22 ASN H . . 6.410 4.328 3.965 4.632 . 0 0 "[ . 1 . 2]" 2
171 1 18 GLY QA 1 22 ASN QD . . 7.090 3.415 2.586 4.340 . 0 0 "[ . 1 . 2]" 2
172 1 18 GLY QA 1 24 HIS H . . 4.310 2.899 2.734 3.039 . 0 0 "[ . 1 . 2]" 2
173 1 18 GLY QA 1 31 ILE QG . . 6.500 4.479 4.300 4.720 . 0 0 "[ . 1 . 2]" 2
174 1 19 GLY H 1 20 VAL QG . . 7.350 5.150 5.063 5.244 . 0 0 "[ . 1 . 2]" 2
175 1 19 GLY H 1 23 GLN QB . . 6.410 3.589 2.716 4.116 . 0 0 "[ . 1 . 2]" 2
176 1 19 GLY H 1 24 HIS QB . . 6.410 5.208 4.777 5.766 . 0 0 "[ . 1 . 2]" 2
177 1 19 GLY H 1 29 ASN QB . . 6.410 5.157 3.235 5.662 . 0 0 "[ . 1 . 2]" 2
178 1 19 GLY H 1 65 VAL QG . . 8.020 5.435 5.065 5.985 . 0 0 "[ . 1 . 2]" 2
179 1 19 GLY QA 1 20 VAL HA . . 5.750 3.973 3.941 4.022 . 0 0 "[ . 1 . 2]" 2
180 1 19 GLY QA 1 20 VAL QG . . 7.400 3.545 3.486 3.588 . 0 0 "[ . 1 . 2]" 2
181 1 19 GLY QA 1 22 ASN H . . 5.580 3.735 3.510 3.947 . 0 0 "[ . 1 . 2]" 2
182 1 19 GLY QA 1 22 ASN QB . . 6.510 3.005 2.603 3.481 . 0 0 "[ . 1 . 2]" 2
183 1 19 GLY QA 1 22 ASN QD . . 7.090 4.521 3.528 5.238 . 0 0 "[ . 1 . 2]" 2
184 1 19 GLY QA 1 23 GLN H . . 6.410 4.889 4.485 5.124 . 0 0 "[ . 1 . 2]" 2
185 1 19 GLY QA 1 29 ASN HA . . 6.410 4.898 4.044 5.477 . 0 0 "[ . 1 . 2]" 2
186 1 19 GLY QA 1 31 ILE QG . . 7.110 3.984 3.727 4.270 . 0 0 "[ . 1 . 2]" 2
187 1 19 GLY QA 1 65 VAL QG . . 7.650 3.340 3.020 3.665 . 0 0 "[ . 1 . 2]" 2
188 1 19 GLY QA 1 67 HIS QB . . 7.120 2.821 2.545 3.112 . 0 0 "[ . 1 . 2]" 2
189 1 20 VAL H 1 22 ASN QB . . 6.410 4.622 4.072 5.109 . 0 0 "[ . 1 . 2]" 2
190 1 20 VAL H 1 29 ASN QB . . 6.410 5.451 3.063 6.062 . 0 0 "[ . 1 . 2]" 2
191 1 20 VAL QG 1 21 GLY H . . 5.880 3.088 2.972 3.207 . 0 0 "[ . 1 . 2]" 2
192 1 20 VAL QG 1 21 GLY QA . . 7.400 3.221 3.143 3.306 . 0 0 "[ . 1 . 2]" 2
193 1 20 VAL QG 1 23 GLN H . . 8.020 5.320 5.121 5.496 . 0 0 "[ . 1 . 2]" 2
194 1 20 VAL QG 1 23 GLN QG . . 8.260 5.276 4.438 5.780 . 0 0 "[ . 1 . 2]" 2
195 1 20 VAL QG 1 29 ASN H . . 7.350 6.295 5.343 6.650 . 0 0 "[ . 1 . 2]" 2
196 1 20 VAL QG 1 29 ASN HA . . 7.350 5.298 4.951 5.620 . 0 0 "[ . 1 . 2]" 2
197 1 20 VAL QG 1 29 ASN QD . . 6.330 2.074 1.784 3.548 . 0 0 "[ . 1 . 2]" 2
198 1 20 VAL QG 1 64 GLU HA . . 7.350 3.272 2.736 3.902 . 0 0 "[ . 1 . 2]" 2
199 1 20 VAL QG 1 64 GLU QB . . 7.650 3.987 3.080 4.721 . 0 0 "[ . 1 . 2]" 2
200 1 20 VAL QG 1 64 GLU QG . . 7.660 2.641 2.077 3.930 . 0 0 "[ . 1 . 2]" 2
201 1 20 VAL QG 1 67 HIS H . . 7.350 4.376 3.986 4.743 . 0 0 "[ . 1 . 2]" 2
202 1 21 GLY H 1 23 GLN QB . . 6.410 3.681 3.341 4.219 . 0 0 "[ . 1 . 2]" 2
203 1 21 GLY H 1 23 GLN QG . . 5.760 3.528 2.400 4.108 . 0 0 "[ . 1 . 2]" 2
204 1 21 GLY H 1 29 ASN QB . . 6.410 4.653 3.596 5.018 . 0 0 "[ . 1 . 2]" 2
205 1 21 GLY QA 1 23 GLN H . . 6.410 3.410 3.125 3.544 . 0 0 "[ . 1 . 2]" 2
206 1 21 GLY QA 1 23 GLN QE . . 6.090 5.702 4.724 6.142 0.052 4 0 "[ . 1 . 2]" 2
207 1 22 ASN H 1 23 GLN QB . . 6.410 4.108 3.840 4.363 . 0 0 "[ . 1 . 2]" 2
208 1 22 ASN H 1 23 GLN QG . . 5.760 4.121 3.352 4.554 . 0 0 "[ . 1 . 2]" 2
209 1 22 ASN H 1 29 ASN QB . . 6.410 6.106 4.251 6.436 0.026 15 0 "[ . 1 . 2]" 2
210 1 22 ASN H 1 67 HIS QB . . 6.410 4.534 3.841 5.222 . 0 0 "[ . 1 . 2]" 2
211 1 22 ASN HA 1 67 HIS QB . . 6.780 5.180 4.759 5.785 . 0 0 "[ . 1 . 2]" 2
212 1 22 ASN QB 1 67 HIS H . . 5.580 3.959 3.473 4.292 . 0 0 "[ . 1 . 2]" 2
213 1 22 ASN QB 1 67 HIS HA . . 6.410 4.434 4.029 4.937 . 0 0 "[ . 1 . 2]" 2
214 1 22 ASN QB 1 67 HIS HD2 . . 6.410 4.853 3.001 5.516 . 0 0 "[ . 1 . 2]" 2
215 1 22 ASN QB 1 68 GLU H . . 6.410 5.712 5.076 6.204 . 0 0 "[ . 1 . 2]" 2
216 1 22 ASN QB 2 4 ARG QB . . 6.690 6.327 4.131 6.877 0.187 15 0 "[ . 1 . 2]" 2
217 1 22 ASN QB 2 5 GLN QG . . 8.130 3.618 1.786 4.919 . 0 0 "[ . 1 . 2]" 2
218 1 22 ASN QB 2 7 ASN QB . . 6.690 6.527 6.096 6.737 0.047 11 0 "[ . 1 . 2]" 2
219 1 22 ASN QD 1 67 HIS QB . . 5.930 2.934 2.217 4.044 . 0 0 "[ . 1 . 2]" 2
220 1 22 ASN QD 2 4 ARG QB . . 7.090 5.829 4.610 6.830 . 0 0 "[ . 1 . 2]" 2
221 1 22 ASN QD 2 4 ARG QG . . 8.750 7.084 5.148 8.646 . 0 0 "[ . 1 . 2]" 2
222 1 22 ASN QD 2 6 ARG QB . . 6.090 4.970 4.696 5.426 . 0 0 "[ . 1 . 2]" 2
223 1 22 ASN QD 2 7 ASN H . . 6.390 2.477 2.023 3.084 . 0 0 "[ . 1 . 2]" 2
224 1 22 ASN QD 2 7 ASN QD . . 6.470 4.406 3.140 5.623 . 0 0 "[ . 1 . 2]" 2
225 1 23 GLN H 1 24 HIS QB . . 6.410 5.838 5.751 5.942 . 0 0 "[ . 1 . 2]" 2
226 1 23 GLN H 2 6 ARG QG . . 6.410 5.970 4.599 6.465 0.055 11 0 "[ . 1 . 2]" 2
227 1 23 GLN QB 1 25 ILE H . . 5.580 3.384 2.657 3.849 . 0 0 "[ . 1 . 2]" 2
228 1 23 GLN QG 1 25 ILE H . . 6.410 4.995 4.547 5.335 . 0 0 "[ . 1 . 2]" 2
229 1 23 GLN QG 1 27 GLY H . . 6.410 3.897 3.396 4.194 . 0 0 "[ . 1 . 2]" 2
230 1 23 GLN QG 1 29 ASN H . . 5.760 5.232 3.964 5.697 . 0 0 "[ . 1 . 2]" 2
231 1 23 GLN QE 1 27 GLY H . . 4.300 3.063 2.232 3.290 . 0 0 "[ . 1 . 2]" 2
232 1 23 GLN QE 1 29 ASN HA . . 5.560 4.980 3.951 5.450 . 0 0 "[ . 1 . 2]" 2
233 1 24 HIS QB 1 25 ILE QG . . 6.690 2.981 2.603 4.143 . 0 0 "[ . 1 . 2]" 2
234 1 24 HIS QB 1 25 ILE MD . . 7.060 3.725 2.108 4.123 . 0 0 "[ . 1 . 2]" 2
235 1 24 HIS QB 1 30 SER H . . 6.410 5.333 4.731 5.910 . 0 0 "[ . 1 . 2]" 2
236 1 24 HIS QB 1 32 TYR H . . 6.410 3.620 3.356 3.992 . 0 0 "[ . 1 . 2]" 2
237 1 25 ILE MG 1 26 PRO QG . . 5.630 3.956 2.941 4.296 . 0 0 "[ . 1 . 2]" 2
238 1 25 ILE MG 1 27 GLY QA . . 7.710 4.160 3.880 4.666 . 0 0 "[ . 1 . 2]" 2
239 1 25 ILE MG 1 28 ASP QB . . 5.620 2.543 2.218 3.028 . 0 0 "[ . 1 . 2]" 2
240 1 25 ILE QG 1 26 PRO QD . . 6.100 4.025 3.378 4.210 . 0 0 "[ . 1 . 2]" 2
241 1 25 ILE QG 1 32 TYR QB . . 6.510 4.016 3.675 5.279 . 0 0 "[ . 1 . 2]" 2
242 1 26 PRO QB 1 27 GLY QA . . 7.120 3.927 3.901 3.957 . 0 0 "[ . 1 . 2]" 2
243 1 26 PRO QG 1 27 GLY H . . 6.020 4.786 4.727 4.873 . 0 0 "[ . 1 . 2]" 2
244 1 28 ASP H 1 29 ASN QB . . 6.410 4.919 4.652 5.604 . 0 0 "[ . 1 . 2]" 2
245 1 28 ASP HA 1 29 ASN QD . . 6.390 6.196 3.829 6.416 0.026 4 0 "[ . 1 . 2]" 2
246 1 29 ASN QB 1 64 GLU H . . 6.410 3.959 2.827 4.404 . 0 0 "[ . 1 . 2]" 2
247 1 29 ASN QB 1 65 VAL H . . 6.410 5.073 3.234 5.909 . 0 0 "[ . 1 . 2]" 2
248 1 30 SER H 1 53 LYS QD . . 6.410 5.175 4.554 5.877 . 0 0 "[ . 1 . 2]" 2
249 1 30 SER H 1 53 LYS QE . . 6.410 5.503 4.201 6.270 . 0 0 "[ . 1 . 2]" 2
250 1 30 SER HA 1 31 ILE QG . . 6.410 3.468 3.318 3.805 . 0 0 "[ . 1 . 2]" 2
251 1 30 SER HA 1 53 LYS QE . . 6.410 5.307 2.285 6.280 . 0 0 "[ . 1 . 2]" 2
252 1 30 SER HA 1 63 GLU QB . . 5.750 5.232 3.532 5.680 . 0 0 "[ . 1 . 2]" 2
253 1 30 SER QB 1 53 LYS QD . . 6.110 3.063 2.066 3.674 . 0 0 "[ . 1 . 2]" 2
254 1 30 SER QB 1 53 LYS QE . . 5.950 3.290 2.002 4.038 . 0 0 "[ . 1 . 2]" 2
255 1 31 ILE H 1 62 LEU QD . . 8.020 4.434 3.950 4.779 . 0 0 "[ . 1 . 2]" 2
256 1 31 ILE HA 1 32 TYR QB . . 6.410 4.215 3.718 4.342 . 0 0 "[ . 1 . 2]" 2
257 1 31 ILE HB 1 53 LYS QB . . 6.410 6.113 5.702 6.459 0.049 6 0 "[ . 1 . 2]" 2
258 1 31 ILE HB 1 54 LEU QB . . 4.320 1.928 1.820 2.062 . 0 0 "[ . 1 . 2]" 2
259 1 31 ILE HB 1 62 LEU QD . . 7.340 2.938 2.500 3.317 . 0 0 "[ . 1 . 2]" 2
260 1 31 ILE QG 1 32 TYR H . . 6.410 4.844 4.673 4.927 . 0 0 "[ . 1 . 2]" 2
261 1 31 ILE QG 1 54 LEU H . . 6.410 4.450 4.045 4.935 . 0 0 "[ . 1 . 2]" 2
262 1 31 ILE QG 1 54 LEU QB . . 7.120 3.111 2.606 3.516 . 0 0 "[ . 1 . 2]" 2
263 1 31 ILE QG 1 54 LEU QD . . 8.080 3.561 2.892 4.031 . 0 0 "[ . 1 . 2]" 2
264 1 31 ILE QG 1 62 LEU HA . . 6.410 3.900 3.674 4.170 . 0 0 "[ . 1 . 2]" 2
265 1 31 ILE QG 1 62 LEU QB . . 6.690 2.141 1.914 2.473 . 0 0 "[ . 1 . 2]" 2
266 1 31 ILE QG 1 62 LEU QD . . 7.570 2.218 1.970 2.817 . 0 0 "[ . 1 . 2]" 2
267 1 31 ILE QG 1 65 VAL QG . . 8.080 3.053 2.799 3.341 . 0 0 "[ . 1 . 2]" 2
268 1 31 ILE QG 1 67 HIS HA . . 6.410 4.769 4.165 5.313 . 0 0 "[ . 1 . 2]" 2
269 1 31 ILE QG 1 70 ALA HA . . 6.410 4.265 3.952 4.591 . 0 0 "[ . 1 . 2]" 2
270 1 31 ILE QG 1 70 ALA MB . . 7.060 2.250 1.914 2.447 . 0 0 "[ . 1 . 2]" 2
271 1 31 ILE MD 1 62 LEU QB . . 7.060 3.463 3.141 4.044 . 0 0 "[ . 1 . 2]" 2
272 1 31 ILE MD 1 65 VAL QG . . 7.880 2.335 2.062 3.081 . 0 0 "[ . 1 . 2]" 2
273 1 31 ILE MD 1 67 HIS QB . . 7.710 3.980 3.376 4.566 . 0 0 "[ . 1 . 2]" 2
274 1 32 TYR HA 1 33 VAL QG . . 7.070 3.420 3.302 3.528 . 0 0 "[ . 1 . 2]" 2
275 1 32 TYR HA 1 51 GLY QA . . 6.410 4.967 4.793 5.464 . 0 0 "[ . 1 . 2]" 2
276 1 32 TYR HA 1 53 LYS QB . . 5.750 4.295 3.896 4.604 . 0 0 "[ . 1 . 2]" 2
277 1 32 TYR HA 1 53 LYS QG . . 5.580 4.722 4.036 5.163 . 0 0 "[ . 1 . 2]" 2
278 1 32 TYR QB 1 33 VAL H . . 4.320 3.062 2.684 3.620 . 0 0 "[ . 1 . 2]" 2
279 1 32 TYR QB 1 33 VAL QG . . 8.080 4.325 4.110 4.666 . 0 0 "[ . 1 . 2]" 2
280 1 32 TYR QB 1 34 THR H . . 6.410 4.859 4.687 5.105 . 0 0 "[ . 1 . 2]" 2
281 1 32 TYR QB 1 51 GLY H . . 6.410 4.247 3.957 5.639 . 0 0 "[ . 1 . 2]" 2
282 1 32 TYR QB 1 52 ASP H . . 6.410 4.954 4.580 6.330 . 0 0 "[ . 1 . 2]" 2
283 1 32 TYR QB 1 54 LEU H . . 6.780 5.098 4.740 5.220 . 0 0 "[ . 1 . 2]" 2
284 1 32 TYR QD 1 53 LYS QB . . 7.880 3.464 2.324 3.822 . 0 0 "[ . 1 . 2]" 2
285 1 32 TYR QE 1 53 LYS QD . . 8.550 3.636 3.023 4.646 . 0 0 "[ . 1 . 2]" 2
286 1 33 VAL H 1 48 LEU QD . . 8.020 4.546 3.917 4.759 . 0 0 "[ . 1 . 2]" 2
287 1 33 VAL H 1 51 GLY QA . . 6.410 4.233 3.874 4.535 . 0 0 "[ . 1 . 2]" 2
288 1 33 VAL HA 1 48 LEU QD . . 8.020 4.514 4.386 4.708 . 0 0 "[ . 1 . 2]" 2
289 1 33 VAL HB 1 48 LEU QD . . 8.020 3.521 2.518 3.805 . 0 0 "[ . 1 . 2]" 2
290 1 33 VAL HB 1 52 ASP QB . . 5.760 2.918 2.617 3.353 . 0 0 "[ . 1 . 2]" 2
291 1 33 VAL QG 1 35 LYS H . . 5.880 2.672 2.388 3.034 . 0 0 "[ . 1 . 2]" 2
292 1 33 VAL QG 1 35 LYS HA . . 7.350 3.901 3.744 4.132 . 0 0 "[ . 1 . 2]" 2
293 1 33 VAL QG 1 35 LYS QG . . 8.710 5.132 4.827 5.484 . 0 0 "[ . 1 . 2]" 2
294 1 33 VAL QG 1 36 ILE HA . . 7.350 3.706 3.431 3.959 . 0 0 "[ . 1 . 2]" 2
295 1 33 VAL QG 1 42 ALA MB . . 9.330 4.176 3.686 4.502 . 0 0 "[ . 1 . 2]" 2
296 1 33 VAL QG 1 48 LEU HA . . 8.020 4.837 4.618 5.213 . 0 0 "[ . 1 . 2]" 2
297 1 33 VAL QG 1 48 LEU QD . . 8.440 1.810 1.723 1.930 . 0 0 "[ . 1 . 2]" 2
298 1 33 VAL QG 1 49 GLN H . . 7.350 3.949 3.581 4.556 . 0 0 "[ . 1 . 2]" 2
299 1 33 VAL QG 1 49 GLN HA . . 7.350 4.606 4.347 5.064 . 0 0 "[ . 1 . 2]" 2
300 1 33 VAL QG 1 52 ASP QB . . 7.660 2.344 2.076 2.960 . 0 0 "[ . 1 . 2]" 2
301 1 33 VAL QG 1 83 LEU QD . . 10.310 3.335 3.095 3.461 . 0 0 "[ . 1 . 2]" 2
302 1 34 THR H 1 35 LYS QB . . 6.410 4.329 4.007 4.571 . 0 0 "[ . 1 . 2]" 2
303 1 34 THR H 1 35 LYS QG . . 6.410 5.311 4.146 6.128 . 0 0 "[ . 1 . 2]" 2
304 1 34 THR H 1 36 ILE QG . . 6.410 5.219 4.865 5.575 . 0 0 "[ . 1 . 2]" 2
305 1 34 THR H 1 48 LEU QD . . 8.400 5.748 5.579 6.059 . 0 0 "[ . 1 . 2]" 2
306 1 34 THR H 2 8 GLU QB . . 6.410 4.460 3.560 5.136 . 0 0 "[ . 1 . 2]" 2
307 1 34 THR HA 1 50 ILE QG . . 5.760 4.504 4.114 4.904 . 0 0 "[ . 1 . 2]" 2
308 1 35 LYS HA 1 50 ILE QG . . 5.760 2.613 2.455 2.781 . 0 0 "[ . 1 . 2]" 2
309 1 35 LYS QB 1 36 ILE H . . 4.330 3.038 2.419 3.613 . 0 0 "[ . 1 . 2]" 2
310 1 35 LYS QB 1 36 ILE HA . . 6.410 3.928 3.669 4.167 . 0 0 "[ . 1 . 2]" 2
311 1 35 LYS QG 1 36 ILE H . . 5.760 3.509 2.119 4.544 . 0 0 "[ . 1 . 2]" 2
312 1 35 LYS QG 1 50 ILE MG . . 7.060 4.424 3.911 4.802 . 0 0 "[ . 1 . 2]" 2
313 1 35 LYS QD 1 50 ILE MG . . 7.710 5.159 3.657 6.266 . 0 0 "[ . 1 . 2]" 2
314 1 36 ILE HB 1 48 LEU QD . . 7.340 5.056 4.587 5.692 . 0 0 "[ . 1 . 2]" 2
315 1 36 ILE MG 1 48 LEU QD . . 9.320 3.382 3.022 4.045 . 0 0 "[ . 1 . 2]" 2
316 1 36 ILE QG 1 50 ILE QG . . 5.890 2.151 1.983 2.376 . 0 0 "[ . 1 . 2]" 2
317 1 36 ILE QG 1 50 ILE MD . . 7.060 3.240 3.052 3.542 . 0 0 "[ . 1 . 2]" 2
318 1 36 ILE MD 1 48 LEU QD . . 7.880 2.637 2.076 3.095 . 0 0 "[ . 1 . 2]" 2
319 1 37 ILE H 1 43 HIS QB . . 6.410 3.942 3.565 4.176 . 0 0 "[ . 1 . 2]" 2
320 1 37 ILE MG 1 38 GLU QB . . 7.050 4.205 3.947 4.530 . 0 0 "[ . 1 . 2]" 2
321 1 37 ILE MG 2 10 GLN QE . . 7.040 3.699 2.702 5.016 . 0 0 "[ . 1 . 2]" 2
322 1 37 ILE QG 2 10 GLN QG . . 6.690 2.476 1.916 4.051 . 0 0 "[ . 1 . 2]" 2
323 1 37 ILE QG 2 10 GLN QE . . 6.490 3.267 1.791 4.126 . 0 0 "[ . 1 . 2]" 2
324 1 37 ILE MD 2 10 GLN QB . . 7.710 3.591 2.678 5.136 . 0 0 "[ . 1 . 2]" 2
325 1 38 GLU H 1 39 GLY QA . . 6.410 5.214 5.043 5.383 . 0 0 "[ . 1 . 2]" 2
326 1 38 GLU HA 1 43 HIS QB . . 4.330 3.166 2.025 3.808 . 0 0 "[ . 1 . 2]" 2
327 1 38 GLU QB 1 39 GLY QA . . 6.680 3.985 3.753 4.158 . 0 0 "[ . 1 . 2]" 2
328 1 38 GLU QB 1 40 GLY H . . 6.410 4.625 4.471 4.787 . 0 0 "[ . 1 . 2]" 2
329 1 39 GLY QA 1 40 GLY QA . . 6.500 3.800 3.750 3.853 . 0 0 "[ . 1 . 2]" 2
330 1 39 GLY QA 1 44 LYS QG . . 6.690 3.275 2.626 4.981 . 0 0 "[ . 1 . 2]" 2
331 1 40 GLY H 1 43 HIS QB . . 4.320 2.472 2.049 2.961 . 0 0 "[ . 1 . 2]" 2
332 1 40 GLY H 1 44 LYS QB . . 6.410 5.725 4.728 6.077 . 0 0 "[ . 1 . 2]" 2
333 1 41 ALA H 1 44 LYS QB . . 6.410 5.273 4.439 5.678 . 0 0 "[ . 1 . 2]" 2
334 1 41 ALA MB 1 44 LYS QB . . 7.050 4.300 3.810 4.554 . 0 0 "[ . 1 . 2]" 2
335 1 42 ALA HA 1 48 LEU QD . . 8.020 4.299 3.567 5.456 . 0 0 "[ . 1 . 2]" 2
336 1 42 ALA MB 1 45 ASP QB . . 7.400 4.786 4.699 4.977 . 0 0 "[ . 1 . 2]" 2
337 1 42 ALA MB 1 48 LEU QB . . 7.060 2.870 2.380 3.409 . 0 0 "[ . 1 . 2]" 2
338 1 42 ALA MB 1 48 LEU QD . . 7.880 2.397 1.931 3.578 . 0 0 "[ . 1 . 2]" 2
339 1 43 HIS H 1 44 LYS QB . . 6.410 4.213 3.731 4.421 . 0 0 "[ . 1 . 2]" 2
340 1 43 HIS HA 1 44 LYS QB . . 6.410 5.402 4.993 5.564 . 0 0 "[ . 1 . 2]" 2
341 1 43 HIS QB 1 44 LYS H . . 4.330 2.760 2.377 3.024 . 0 0 "[ . 1 . 2]" 2
342 1 43 HIS QB 1 45 ASP H . . 6.410 5.039 4.736 5.308 . 0 0 "[ . 1 . 2]" 2
343 1 43 HIS QB 1 46 GLY H . . 6.410 5.203 4.909 5.459 . 0 0 "[ . 1 . 2]" 2
344 1 44 LYS QG 1 45 ASP H . . 5.760 3.861 3.342 4.267 . 0 0 "[ . 1 . 2]" 2
345 1 46 GLY H 1 47 LYS QB . . 6.410 5.400 5.085 5.862 . 0 0 "[ . 1 . 2]" 2
346 1 47 LYS HA 1 48 LEU QD . . 8.020 5.508 5.381 5.608 . 0 0 "[ . 1 . 2]" 2
347 1 47 LYS QB 1 48 LEU QB . . 6.690 5.071 4.769 5.267 . 0 0 "[ . 1 . 2]" 2
348 1 47 LYS QG 1 49 GLN H . . 6.410 6.283 6.052 6.462 0.052 18 0 "[ . 1 . 2]" 2
349 1 47 LYS QD 1 48 LEU HA . . 6.410 5.271 4.455 6.272 . 0 0 "[ . 1 . 2]" 2
350 1 48 LEU HG 1 85 VAL QG . . 7.350 4.492 3.456 5.022 . 0 0 "[ . 1 . 2]" 2
351 1 48 LEU QD 1 49 GLN H . . 5.820 2.344 1.863 2.601 . 0 0 "[ . 1 . 2]" 2
352 1 48 LEU QD 1 49 GLN HA . . 7.060 4.329 3.308 4.628 . 0 0 "[ . 1 . 2]" 2
353 1 48 LEU QD 1 50 ILE MD . . 10.000 5.803 5.208 6.147 . 0 0 "[ . 1 . 2]" 2
354 1 48 LEU QD 1 52 ASP H . . 7.340 4.062 3.037 4.264 . 0 0 "[ . 1 . 2]" 2
355 1 48 LEU QD 1 52 ASP HA . . 8.020 4.552 3.984 4.980 . 0 0 "[ . 1 . 2]" 2
356 1 48 LEU QD 1 52 ASP QB . . 7.650 2.290 1.830 2.661 . 0 0 "[ . 1 . 2]" 2
357 1 48 LEU QD 1 54 LEU QD . . 10.940 2.858 2.363 3.660 . 0 0 "[ . 1 . 2]" 2
358 1 48 LEU QD 1 83 LEU QD . . 9.410 2.201 1.964 2.607 . 0 0 "[ . 1 . 2]" 2
359 1 48 LEU QD 1 85 VAL QG . . 9.730 2.504 2.024 3.336 . 0 0 "[ . 1 . 2]" 2
360 1 49 GLN QB 1 50 ILE H . . 4.320 2.840 2.581 3.485 . 0 0 "[ . 1 . 2]" 2
361 1 49 GLN QB 1 52 ASP QB . . 7.120 3.893 3.544 4.269 . 0 0 "[ . 1 . 2]" 2
362 1 49 GLN QG 1 50 ILE QG . . 6.110 5.505 5.202 5.706 . 0 0 "[ . 1 . 2]" 2
363 1 49 GLN QG 1 50 ILE MD . . 7.710 6.342 5.943 6.597 . 0 0 "[ . 1 . 2]" 2
364 1 50 ILE QG 1 51 GLY H . . 5.580 4.147 4.094 4.225 . 0 0 "[ . 1 . 2]" 2
365 1 51 GLY H 1 52 ASP QB . . 6.410 4.039 3.898 4.133 . 0 0 "[ . 1 . 2]" 2
366 1 51 GLY QA 1 53 LYS H . . 6.780 5.417 5.296 5.541 . 0 0 "[ . 1 . 2]" 2
367 1 52 ASP H 1 85 VAL QG . . 7.350 4.523 4.315 4.647 . 0 0 "[ . 1 . 2]" 2
368 1 52 ASP QB 1 54 LEU QD . . 7.920 3.318 2.743 4.079 . 0 0 "[ . 1 . 2]" 2
369 1 52 ASP QB 1 85 VAL HB . . 5.580 3.580 3.309 4.091 . 0 0 "[ . 1 . 2]" 2
370 1 52 ASP QB 1 85 VAL QG . . 8.080 1.835 1.793 1.935 . 0 0 "[ . 1 . 2]" 2
371 1 52 ASP QB 1 86 ALA H . . 6.410 4.659 4.413 4.825 . 0 0 "[ . 1 . 2]" 2
372 1 52 ASP QB 1 87 LYS QD . . 8.780 5.565 4.379 6.432 . 0 0 "[ . 1 . 2]" 2
373 1 53 LYS H 1 88 PRO QD . . 6.420 3.500 2.968 4.733 . 0 0 "[ . 1 . 2]" 2
374 1 53 LYS QB 1 86 ALA HA . . 6.410 4.743 4.521 5.121 . 0 0 "[ . 1 . 2]" 2
375 1 53 LYS QB 1 86 ALA MB . . 6.870 3.279 2.896 3.875 . 0 0 "[ . 1 . 2]" 2
376 1 53 LYS QG 1 54 LEU H . . 4.340 3.133 2.545 3.346 . 0 0 "[ . 1 . 2]" 2
377 1 53 LYS QG 1 86 ALA MB . . 7.060 3.052 2.252 3.923 . 0 0 "[ . 1 . 2]" 2
378 1 53 LYS QG 1 87 LYS HA . . 6.410 5.231 4.617 5.930 . 0 0 "[ . 1 . 2]" 2
379 1 53 LYS QG 1 88 PRO HA . . 5.580 4.370 3.990 5.375 . 0 0 "[ . 1 . 2]" 2
380 1 53 LYS QE 1 55 LEU QD . . 8.080 3.650 1.993 4.759 . 0 0 "[ . 1 . 2]" 2
381 1 53 LYS QE 1 88 PRO HB3 . . 6.410 5.848 4.442 6.466 0.056 19 0 "[ . 1 . 2]" 2
382 1 54 LEU HA 1 55 LEU QB . . 5.580 3.879 3.738 4.126 . 0 0 "[ . 1 . 2]" 2
383 1 54 LEU HA 1 55 LEU QD . . 7.600 5.095 4.398 5.313 . 0 0 "[ . 1 . 2]" 2
384 1 54 LEU HA 1 83 LEU QD . . 7.340 3.570 2.463 4.171 . 0 0 "[ . 1 . 2]" 2
385 1 54 LEU QB 1 55 LEU QB . . 6.510 4.715 4.605 4.857 . 0 0 "[ . 1 . 2]" 2
386 1 54 LEU QB 1 62 LEU QB . . 6.110 3.000 2.778 3.255 . 0 0 "[ . 1 . 2]" 2
387 1 54 LEU QB 1 62 LEU QD . . 8.080 2.163 2.053 2.285 . 0 0 "[ . 1 . 2]" 2
388 1 54 LEU HG 1 62 LEU QD . . 7.340 4.169 4.067 4.318 . 0 0 "[ . 1 . 2]" 2
389 1 54 LEU QD 1 55 LEU H . . 7.340 3.697 3.425 4.510 . 0 0 "[ . 1 . 2]" 2
390 1 54 LEU QD 1 56 ALA H . . 7.340 4.189 3.774 4.932 . 0 0 "[ . 1 . 2]" 2
391 1 54 LEU QD 1 56 ALA HA . . 7.340 5.233 4.935 5.508 . 0 0 "[ . 1 . 2]" 2
392 1 54 LEU QD 1 57 VAL H . . 7.340 5.336 5.041 5.562 . 0 0 "[ . 1 . 2]" 2
393 1 54 LEU QD 1 62 LEU QB . . 8.080 3.985 3.740 4.295 . 0 0 "[ . 1 . 2]" 2
394 1 54 LEU QD 1 62 LEU HG . . 7.340 4.622 4.244 4.924 . 0 0 "[ . 1 . 2]" 2
395 1 54 LEU QD 1 70 ALA HA . . 8.020 5.868 5.310 6.707 . 0 0 "[ . 1 . 2]" 2
396 1 54 LEU QD 1 83 LEU HA . . 7.060 4.344 3.813 5.081 . 0 0 "[ . 1 . 2]" 2
397 1 54 LEU QD 1 83 LEU QD . . 8.910 1.991 1.748 2.940 . 0 0 "[ . 1 . 2]" 2
398 1 54 LEU QD 2 11 VAL QG . . 10.950 3.732 3.251 4.381 . 0 0 "[ . 1 . 2]" 2
399 1 55 LEU HA 1 85 VAL QG . . 8.020 5.698 5.479 6.067 . 0 0 "[ . 1 . 2]" 2
400 1 55 LEU QB 1 56 ALA MB . . 7.060 3.202 2.917 3.325 . 0 0 "[ . 1 . 2]" 2
401 1 55 LEU QB 1 84 LYS QB . . 8.130 2.784 2.272 3.017 . 0 0 "[ . 1 . 2]" 2
402 1 55 LEU QB 1 85 VAL QG . . 7.350 4.229 4.066 4.801 . 0 0 "[ . 1 . 2]" 2
403 1 55 LEU QD 1 63 GLU H . . 7.340 3.790 3.388 5.160 . 0 0 "[ . 1 . 2]" 2
404 1 55 LEU QD 1 63 GLU QB . . 8.070 3.657 2.151 4.430 . 0 0 "[ . 1 . 2]" 2
405 1 55 LEU QD 1 84 LYS QG . . 7.570 2.839 2.104 4.628 . 0 0 "[ . 1 . 2]" 2
406 1 55 LEU QD 1 85 VAL HA . . 7.060 4.342 3.705 4.506 . 0 0 "[ . 1 . 2]" 2
407 1 55 LEU QD 1 86 ALA HA . . 7.340 3.957 3.419 4.229 . 0 0 "[ . 1 . 2]" 2
408 1 55 LEU QD 1 87 LYS H . . 8.020 5.272 4.747 5.654 . 0 0 "[ . 1 . 2]" 2
409 1 55 LEU QD 1 87 LYS QG . . 10.050 6.855 5.934 7.727 . 0 0 "[ . 1 . 2]" 2
410 1 56 ALA H 1 62 LEU QD . . 7.340 3.604 3.278 3.834 . 0 0 "[ . 1 . 2]" 2
411 1 56 ALA H 1 85 VAL QG . . 7.350 5.076 4.608 5.341 . 0 0 "[ . 1 . 2]" 2
412 1 56 ALA HA 1 62 LEU QD . . 7.340 2.266 2.047 2.449 . 0 0 "[ . 1 . 2]" 2
413 1 56 ALA MB 1 61 CYS QB . . 7.710 3.584 3.217 3.781 . 0 0 "[ . 1 . 2]" 2
414 1 56 ALA MB 1 63 GLU QB . . 7.050 5.394 4.201 5.716 . 0 0 "[ . 1 . 2]" 2
415 1 57 VAL H 1 60 VAL QG . . 5.820 3.802 3.743 3.885 . 0 0 "[ . 1 . 2]" 2
416 1 57 VAL HA 1 83 LEU QD . . 6.370 4.381 3.256 4.690 . 0 0 "[ . 1 . 2]" 2
417 1 57 VAL QG 1 58 ASN H . . 5.820 2.652 2.421 2.848 . 0 0 "[ . 1 . 2]" 2
418 1 57 VAL QG 1 58 ASN QB . . 7.510 2.933 2.484 3.164 . 0 0 "[ . 1 . 2]" 2
419 1 57 VAL QG 1 58 ASN QD . . 7.640 3.181 2.031 4.428 . 0 0 "[ . 1 . 2]" 2
420 1 57 VAL QG 1 62 LEU H . . 7.350 5.092 5.008 5.184 . 0 0 "[ . 1 . 2]" 2
421 1 57 VAL QG 1 62 LEU QB . . 8.080 4.013 3.794 4.333 . 0 0 "[ . 1 . 2]" 2
422 1 57 VAL QG 1 62 LEU QD . . 9.730 1.774 1.741 1.794 . 0 0 "[ . 1 . 2]" 2
423 1 57 VAL QG 1 73 ALA MB . . 7.880 2.237 2.038 2.434 . 0 0 "[ . 1 . 2]" 2
424 1 58 ASN H 1 83 LEU QB . . 6.410 4.708 4.158 5.079 . 0 0 "[ . 1 . 2]" 2
425 1 58 ASN HA 1 81 VAL QG . . 7.350 4.381 3.765 4.947 . 0 0 "[ . 1 . 2]" 2
426 1 58 ASN QB 1 60 VAL QG . . 7.920 2.793 2.382 3.638 . 0 0 "[ . 1 . 2]" 2
427 1 58 ASN QB 1 81 VAL QG . . 8.710 3.980 1.935 4.827 . 0 0 "[ . 1 . 2]" 2
428 1 59 ASN QD 1 60 VAL QG . . 7.880 4.969 4.668 5.669 . 0 0 "[ . 1 . 2]" 2
429 1 60 VAL QG 1 61 CYS QB . . 8.260 4.273 4.200 4.342 . 0 0 "[ . 1 . 2]" 2
430 1 60 VAL QG 1 62 LEU H . . 7.350 4.758 4.511 4.856 . 0 0 "[ . 1 . 2]" 2
431 1 60 VAL QG 1 73 ALA HA . . 7.350 4.074 2.918 4.944 . 0 0 "[ . 1 . 2]" 2
432 1 60 VAL QG 1 73 ALA MB . . 9.330 2.721 1.948 3.380 . 0 0 "[ . 1 . 2]" 2
433 1 60 VAL QG 1 76 ASN QB . . 8.260 4.915 4.149 5.464 . 0 0 "[ . 1 . 2]" 2
434 1 60 VAL QG 1 76 ASN QD . . 8.240 5.454 3.927 6.526 . 0 0 "[ . 1 . 2]" 2
435 1 62 LEU H 1 65 VAL QG . . 7.350 4.105 3.940 4.266 . 0 0 "[ . 1 . 2]" 2
436 1 62 LEU HA 1 65 VAL QG . . 5.820 2.149 2.011 2.400 . 0 0 "[ . 1 . 2]" 2
437 1 62 LEU HG 1 65 VAL QG . . 7.350 2.765 2.442 3.255 . 0 0 "[ . 1 . 2]" 2
438 1 62 LEU QD 1 69 GLU QB . . 8.070 5.277 4.306 6.022 . 0 0 "[ . 1 . 2]" 2
439 1 62 LEU QD 1 70 ALA H . . 7.340 4.925 4.397 5.343 . 0 0 "[ . 1 . 2]" 2
440 1 62 LEU QD 1 70 ALA MB . . 9.320 2.680 2.215 3.087 . 0 0 "[ . 1 . 2]" 2
441 1 62 LEU QD 1 73 ALA HA . . 7.340 4.721 4.487 4.915 . 0 0 "[ . 1 . 2]" 2
442 1 62 LEU QD 1 73 ALA MB . . 9.320 2.289 2.028 2.519 . 0 0 "[ . 1 . 2]" 2
443 1 64 GLU H 1 65 VAL QG . . 7.350 3.586 3.410 3.788 . 0 0 "[ . 1 . 2]" 2
444 1 64 GLU HA 1 65 VAL QG . . 7.350 3.759 3.559 4.104 . 0 0 "[ . 1 . 2]" 2
445 1 65 VAL HA 1 69 GLU QB . . 5.580 4.594 4.318 4.861 . 0 0 "[ . 1 . 2]" 2
446 1 65 VAL HB 1 69 GLU QB . . 5.750 2.841 2.306 3.245 . 0 0 "[ . 1 . 2]" 2
447 1 65 VAL QG 1 67 HIS H . . 8.020 4.639 4.515 4.774 . 0 0 "[ . 1 . 2]" 2
448 1 65 VAL QG 1 68 GLU H . . 8.020 5.525 4.999 5.889 . 0 0 "[ . 1 . 2]" 2
449 1 65 VAL QG 1 69 GLU H . . 7.070 4.367 3.859 4.895 . 0 0 "[ . 1 . 2]" 2
450 1 65 VAL QG 1 69 GLU HA . . 7.350 5.076 4.600 5.524 . 0 0 "[ . 1 . 2]" 2
451 1 65 VAL QG 1 70 ALA H . . 7.070 3.241 2.945 3.596 . 0 0 "[ . 1 . 2]" 2
452 1 65 VAL QG 1 70 ALA HA . . 7.350 2.991 2.627 3.241 . 0 0 "[ . 1 . 2]" 2
453 1 65 VAL QG 1 70 ALA MB . . 7.880 2.029 1.855 2.398 . 0 0 "[ . 1 . 2]" 2
454 1 66 THR H 1 69 GLU QG . . 5.760 3.608 3.000 3.915 . 0 0 "[ . 1 . 2]" 2
455 1 66 THR HB 1 69 GLU QG . . 6.410 4.251 2.517 5.801 . 0 0 "[ . 1 . 2]" 2
456 1 66 THR MG 1 69 GLU QB . . 7.710 4.102 3.445 5.330 . 0 0 "[ . 1 . 2]" 2
457 1 66 THR MG 1 69 GLU QG . . 7.710 4.843 3.837 5.337 . 0 0 "[ . 1 . 2]" 2
458 1 67 HIS H 2 5 GLN QB . . 6.410 3.810 2.258 6.510 0.100 14 0 "[ . 1 . 2]" 2
459 1 67 HIS HA 1 71 VAL QG . . 7.350 3.647 3.470 3.855 . 0 0 "[ . 1 . 2]" 2
460 1 67 HIS QB 1 68 GLU H . . 4.320 2.639 2.438 3.141 . 0 0 "[ . 1 . 2]" 2
461 1 67 HIS QB 1 68 GLU HA . . 6.410 4.183 3.891 4.548 . 0 0 "[ . 1 . 2]" 2
462 1 67 HIS QB 2 6 ARG QD . . 6.690 6.023 4.821 6.811 0.121 7 0 "[ . 1 . 2]" 2
463 1 67 HIS QB 2 7 ASN QB . . 6.690 6.693 6.352 6.804 0.114 1 0 "[ . 1 . 2]" 2
464 1 67 HIS HD2 1 71 VAL QG . . 7.070 3.095 2.756 3.527 . 0 0 "[ . 1 . 2]" 2
465 1 67 HIS HE1 1 71 VAL QG . . 8.020 3.144 2.854 3.544 . 0 0 "[ . 1 . 2]" 2
466 1 67 HIS HE1 1 74 LEU QD . . 8.020 5.957 5.270 7.061 . 0 0 "[ . 1 . 2]" 2
467 1 68 GLU H 1 68 GLU QG . . 4.320 3.802 2.794 4.034 . 0 0 "[ . 1 . 2]" 2
468 1 68 GLU H 1 71 VAL QG . . 8.020 4.247 3.941 4.614 . 0 0 "[ . 1 . 2]" 2
469 1 68 GLU QB 1 71 VAL QG . . 7.920 4.427 3.824 4.747 . 0 0 "[ . 1 . 2]" 2
470 1 68 GLU QG 1 71 VAL H . . 6.410 5.344 4.872 5.732 . 0 0 "[ . 1 . 2]" 2
471 1 68 GLU QG 1 72 THR H . . 6.410 4.636 3.928 5.571 . 0 0 "[ . 1 . 2]" 2
472 1 68 GLU QG 1 72 THR HB . . 5.760 4.809 3.801 5.927 0.167 5 0 "[ . 1 . 2]" 2
473 1 68 GLU QG 1 72 THR MG . . 6.870 4.941 4.028 6.200 . 0 0 "[ . 1 . 2]" 2
474 1 68 GLU QG 2 9 THR MG . . 7.710 5.965 4.357 7.610 . 0 0 "[ . 1 . 2]" 2
475 1 69 GLU QB 1 70 ALA MB . . 7.710 3.766 3.641 3.857 . 0 0 "[ . 1 . 2]" 2
476 1 69 GLU QB 1 71 VAL H . . 5.750 4.846 4.686 5.025 . 0 0 "[ . 1 . 2]" 2
477 1 69 GLU QG 1 72 THR H . . 6.410 5.553 5.233 5.971 . 0 0 "[ . 1 . 2]" 2
478 1 69 GLU QG 1 73 ALA H . . 6.410 5.377 4.685 6.265 . 0 0 "[ . 1 . 2]" 2
479 1 70 ALA MB 1 74 LEU QD . . 9.320 3.079 2.877 4.577 . 0 0 "[ . 1 . 2]" 2
480 1 71 VAL HA 1 74 LEU QD . . 7.060 2.437 2.286 3.340 . 0 0 "[ . 1 . 2]" 2
481 1 71 VAL HA 1 75 LYS QD . . 6.410 5.283 5.125 5.602 . 0 0 "[ . 1 . 2]" 2
482 1 71 VAL HA 2 11 VAL QG . . 7.070 2.758 2.388 3.098 . 0 0 "[ . 1 . 2]" 2
483 1 71 VAL QG 1 72 THR HA . . 7.350 3.556 3.332 3.689 . 0 0 "[ . 1 . 2]" 2
484 1 71 VAL QG 1 72 THR MG . . 9.330 4.853 4.774 4.953 . 0 0 "[ . 1 . 2]" 2
485 1 71 VAL QG 1 75 LYS H . . 8.020 3.803 3.641 3.941 . 0 0 "[ . 1 . 2]" 2
486 1 71 VAL QG 1 75 LYS HA . . 7.350 4.725 4.519 4.872 . 0 0 "[ . 1 . 2]" 2
487 1 71 VAL QG 1 75 LYS QB . . 10.050 3.680 3.506 3.879 . 0 0 "[ . 1 . 2]" 2
488 1 71 VAL QG 1 75 LYS QD . . 6.700 2.720 2.430 3.459 . 0 0 "[ . 1 . 2]" 2
489 1 71 VAL QG 1 75 LYS QE . . 6.700 1.874 1.809 2.072 . 0 0 "[ . 1 . 2]" 2
490 1 71 VAL QG 2 9 THR H . . 8.020 3.982 3.700 4.335 . 0 0 "[ . 1 . 2]" 2
491 1 71 VAL QG 2 10 GLN H . . 7.350 4.533 4.180 5.094 . 0 0 "[ . 1 . 2]" 2
492 1 71 VAL QG 2 11 VAL QG . . 10.310 1.951 1.855 2.269 . 0 0 "[ . 1 . 2]" 2
493 1 72 THR H 1 75 LYS QD . . 6.410 4.909 4.651 6.202 . 0 0 "[ . 1 . 2]" 2
494 1 73 ALA H 1 76 ASN QB . . 6.410 5.164 5.001 5.342 . 0 0 "[ . 1 . 2]" 2
495 1 74 LEU HA 1 81 VAL QG . . 7.350 3.879 3.556 4.264 . 0 0 "[ . 1 . 2]" 2
496 1 74 LEU QB 1 75 LYS QG . . 6.110 3.423 3.307 3.715 . 0 0 "[ . 1 . 2]" 2
497 1 74 LEU QB 2 11 VAL QG . . 8.710 2.012 1.750 2.364 . 0 0 "[ . 1 . 2]" 2
498 1 74 LEU QD 1 75 LYS H . . 7.340 3.856 3.671 4.070 . 0 0 "[ . 1 . 2]" 2
499 1 74 LEU QD 1 75 LYS HA . . 8.020 5.051 4.278 5.154 . 0 0 "[ . 1 . 2]" 2
500 1 74 LEU QD 1 75 LYS QE . . 8.700 5.210 4.913 5.331 . 0 0 "[ . 1 . 2]" 2
501 1 74 LEU QD 1 76 ASN H . . 7.340 5.303 4.932 5.527 . 0 0 "[ . 1 . 2]" 2
502 1 74 LEU QD 2 11 VAL QG . . 9.730 1.891 1.753 2.435 . 0 0 "[ . 1 . 2]" 2
503 1 75 LYS H 1 75 LYS QD . . 5.760 4.116 3.677 4.263 . 0 0 "[ . 1 . 2]" 2
504 1 75 LYS H 1 75 LYS QE . . 6.410 4.762 4.252 4.933 . 0 0 "[ . 1 . 2]" 2
505 1 75 LYS H 1 76 ASN QB . . 6.410 4.512 4.294 4.745 . 0 0 "[ . 1 . 2]" 2
506 1 75 LYS HA 1 76 ASN QB . . 6.410 5.372 5.291 5.461 . 0 0 "[ . 1 . 2]" 2
507 1 75 LYS HA 2 11 VAL QG . . 7.350 3.773 2.213 4.538 . 0 0 "[ . 1 . 2]" 2
508 1 75 LYS QB 1 76 ASN QB . . 8.770 4.496 4.166 4.693 . 0 0 "[ . 1 . 2]" 2
509 1 75 LYS QB 1 76 ASN QD . . 7.880 3.891 2.988 4.877 . 0 0 "[ . 1 . 2]" 2
510 1 75 LYS QG 1 77 THR H . . 6.410 5.493 5.213 6.032 . 0 0 "[ . 1 . 2]" 2
511 1 75 LYS QG 2 11 VAL H . . 6.410 5.382 5.021 6.412 0.002 18 0 "[ . 1 . 2]" 2
512 1 75 LYS QE 2 11 VAL QG . . 7.580 2.961 2.133 3.495 . 0 0 "[ . 1 . 2]" 2
513 1 76 ASN QB 1 77 THR HA . . 6.410 4.292 4.222 4.383 . 0 0 "[ . 1 . 2]" 2
514 1 77 THR H 1 81 VAL QG . . 7.350 4.786 4.609 4.914 . 0 0 "[ . 1 . 2]" 2
515 1 77 THR HA 1 81 VAL QG . . 7.350 3.885 3.508 4.276 . 0 0 "[ . 1 . 2]" 2
516 1 78 SER H 1 81 VAL QG . . 7.350 3.911 3.609 4.183 . 0 0 "[ . 1 . 2]" 2
517 1 78 SER HA 1 81 VAL QG . . 7.350 4.707 4.527 4.915 . 0 0 "[ . 1 . 2]" 2
518 1 78 SER QB 1 81 VAL QG . . 10.050 5.546 5.412 5.661 . 0 0 "[ . 1 . 2]" 2
519 1 79 ASP HA 1 80 PHE QB . . 6.410 4.582 4.513 4.678 . 0 0 "[ . 1 . 2]" 2
520 1 80 PHE H 1 81 VAL QG . . 7.350 3.210 2.848 3.485 . 0 0 "[ . 1 . 2]" 2
521 1 80 PHE QB 1 82 TYR QE . . 8.920 7.096 4.984 8.977 0.057 10 0 "[ . 1 . 2]" 2
522 1 80 PHE QE 1 81 VAL QG . . 10.150 5.515 5.183 5.804 . 0 0 "[ . 1 . 2]" 2
523 1 81 VAL QG 1 82 TYR H . . 5.880 2.595 2.239 3.032 . 0 0 "[ . 1 . 2]" 2
524 1 81 VAL QG 1 82 TYR QD . . 10.150 4.929 4.528 5.296 . 0 0 "[ . 1 . 2]" 2
525 1 81 VAL QG 1 83 LEU HG . . 8.020 4.307 3.316 4.832 . 0 0 "[ . 1 . 2]" 2
526 1 82 TYR HA 1 83 LEU QB . . 5.580 4.095 3.949 4.274 . 0 0 "[ . 1 . 2]" 2
527 1 82 TYR QB 1 84 LYS QG . . 7.120 5.718 3.352 6.872 . 0 0 "[ . 1 . 2]" 2
528 1 83 LEU QB 1 85 VAL QG . . 7.650 4.200 2.912 4.483 . 0 0 "[ . 1 . 2]" 2
529 1 83 LEU QD 1 84 LYS HA . . 7.340 3.372 3.003 3.827 . 0 0 "[ . 1 . 2]" 2
530 1 83 LEU QD 1 85 VAL HB . . 5.880 2.371 1.808 3.969 . 0 0 "[ . 1 . 2]" 2
531 1 83 LEU QD 1 85 VAL QG . . 8.920 2.247 1.779 2.696 . 0 0 "[ . 1 . 2]" 2
532 1 84 LYS H 1 85 VAL QG . . 7.350 4.637 3.967 4.934 . 0 0 "[ . 1 . 2]" 2
533 1 85 VAL QG 1 87 LYS H . . 8.020 4.177 3.926 4.370 . 0 0 "[ . 1 . 2]" 2
534 1 85 VAL QG 1 87 LYS QG . . 10.050 4.087 3.082 4.991 . 0 0 "[ . 1 . 2]" 2
535 1 86 ALA MB 1 87 LYS QB . . 7.050 4.254 3.956 4.595 . 0 0 "[ . 1 . 2]" 2
536 1 87 LYS QE 1 88 PRO QD . . 6.700 3.377 1.899 5.178 . 0 0 "[ . 1 . 2]" 2
537 1 88 PRO HA 1 93 HIS QB . . 6.410 5.080 4.066 6.440 0.030 20 0 "[ . 1 . 2]" 2
538 2 5 GLN QB 2 6 ARG HA . . 6.410 4.215 3.964 5.224 . 0 0 "[ . 1 . 2]" 2
539 2 6 ARG QB 2 7 ASN HA . . 5.750 4.556 4.250 4.775 . 0 0 "[ . 1 . 2]" 2
540 2 6 ARG QG 2 7 ASN H . . 5.760 4.678 4.162 4.996 . 0 0 "[ . 1 . 2]" 2
541 2 6 ARG QG 2 7 ASN HA . . 6.410 6.004 5.645 6.325 . 0 0 "[ . 1 . 2]" 2
542 2 7 ASN QB 2 8 GLU QB . . 6.690 4.667 4.374 5.072 . 0 0 "[ . 1 . 2]" 2
543 2 7 ASN QD 2 8 GLU H . . 6.390 3.173 2.627 4.182 . 0 0 "[ . 1 . 2]" 2
544 2 9 THR HA 2 10 GLN QB . . 5.750 4.090 3.849 4.508 . 0 0 "[ . 1 . 2]" 2
545 2 9 THR HB 2 11 VAL QG . . 8.020 4.191 3.598 4.654 . 0 0 "[ . 1 . 2]" 2
546 2 10 GLN H 2 11 VAL QG . . 7.350 4.753 4.476 5.021 . 0 0 "[ . 1 . 2]" 2
547 2 10 GLN QB 2 11 VAL QG . . 8.250 4.374 3.817 4.660 . 0 0 "[ . 1 . 2]" 2
548 2 10 GLN QG 2 11 VAL QG . . 8.260 3.731 3.223 5.073 . 0 0 "[ . 1 . 2]" 2
549 2 10 GLN QE 2 11 VAL H . . 6.390 4.418 3.293 5.634 . 0 0 "[ . 1 . 2]" 2
550 2 10 GLN QE 2 11 VAL QG . . 7.640 4.786 3.569 6.006 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 1083
_Distance_constraint_stats_list.Viol_total 3764.000
_Distance_constraint_stats_list.Viol_max 1.962
_Distance_constraint_stats_list.Viol_rms 0.2073
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1470
_Distance_constraint_stats_list.Viol_average_violations_only 0.1738
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 36.924 1.962 12 18 "[*** .****-*+********]"
1 3 ILE 1.956 0.114 1 0 "[ . 1 . 2]"
1 5 LEU 2.782 0.224 17 0 "[ . 1 . 2]"
1 12 LEU 8.170 0.331 7 0 "[ . 1 . 2]"
1 15 SER 2.853 0.206 6 0 "[ . 1 . 2]"
1 17 ALA 2.172 0.268 6 0 "[ . 1 . 2]"
1 19 GLY 3.489 0.212 14 0 "[ . 1 . 2]"
1 20 VAL 2.544 0.212 9 0 "[ . 1 . 2]"
1 22 ASN 3.489 0.212 14 0 "[ . 1 . 2]"
1 28 ASP 9.097 0.331 4 0 "[ . 1 . 2]"
1 30 SER 9.097 0.331 4 0 "[ . 1 . 2]"
1 32 TYR 2.172 0.268 6 0 "[ . 1 . 2]"
1 33 VAL 5.991 0.266 11 0 "[ . 1 . 2]"
1 34 THR 1.760 0.206 6 0 "[ . 1 . 2]"
1 35 LYS 1.094 0.142 14 0 "[ . 1 . 2]"
1 37 ILE 8.301 0.309 15 0 "[ . 1 . 2]"
1 40 GLY 25.742 0.309 15 0 "[ . 1 . 2]"
1 41 ALA 10.548 0.325 8 0 "[ . 1 . 2]"
1 42 ALA 8.170 0.331 7 0 "[ . 1 . 2]"
1 43 HIS 7.693 0.265 8 0 "[ . 1 . 2]"
1 44 LYS 9.748 0.308 19 0 "[ . 1 . 2]"
1 45 ASP 1.439 0.154 14 0 "[ . 1 . 2]"
1 46 GLY 9.109 0.325 8 0 "[ . 1 . 2]"
1 52 ASP 5.991 0.266 11 0 "[ . 1 . 2]"
1 53 LYS 3.718 0.285 16 0 "[ . 1 . 2]"
1 55 LEU 4.452 0.215 10 0 "[ . 1 . 2]"
1 56 ALA 12.327 0.333 13 0 "[ . 1 . 2]"
1 57 VAL 14.518 0.299 14 0 "[ . 1 . 2]"
1 58 ASN 0.043 0.016 12 0 "[ . 1 . 2]"
1 60 VAL 14.518 0.299 14 0 "[ . 1 . 2]"
1 62 LEU 0.951 0.065 3 0 "[ . 1 . 2]"
1 65 VAL 2.544 0.212 9 0 "[ . 1 . 2]"
1 66 THR 9.369 0.352 19 0 "[ . 1 . 2]"
1 67 HIS 3.733 0.241 4 0 "[ . 1 . 2]"
1 68 GLU 8.831 0.316 4 0 "[ . 1 . 2]"
1 69 GLU 9.369 0.352 19 0 "[ . 1 . 2]"
1 71 VAL 7.635 0.241 4 0 "[ . 1 . 2]"
1 72 THR 17.218 0.316 4 0 "[ . 1 . 2]"
1 75 LYS 10.555 0.232 5 0 "[ . 1 . 2]"
1 76 ASN 8.386 0.271 16 0 "[ . 1 . 2]"
1 77 THR 6.653 0.232 5 0 "[ . 1 . 2]"
1 81 VAL 2.782 0.224 17 0 "[ . 1 . 2]"
1 82 TYR 0.043 0.016 12 0 "[ . 1 . 2]"
1 83 LEU 1.956 0.114 1 0 "[ . 1 . 2]"
1 84 LYS 15.828 0.333 13 0 "[ . 1 . 2]"
1 85 VAL 36.924 1.962 12 18 "[*** .****-*+********]"
1 86 ALA 3.718 0.285 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ILE H 1 83 LEU O . . 1.800 1.763 1.724 1.848 0.048 1 0 "[ . 1 . 2]" 3
2 1 3 ILE N 1 83 LEU O . . 2.700 2.735 2.682 2.814 0.114 1 0 "[ . 1 . 2]" 3
3 1 5 LEU H 1 81 VAL O . . 1.800 1.844 1.774 2.010 0.210 17 0 "[ . 1 . 2]" 3
4 1 5 LEU N 1 81 VAL O . . 2.700 2.789 2.724 2.924 0.224 17 0 "[ . 1 . 2]" 3
5 1 12 LEU O 1 42 ALA H . . 1.800 1.974 1.793 2.061 0.261 7 0 "[ . 1 . 2]" 3
6 1 12 LEU O 1 42 ALA N . . 2.700 2.934 2.744 3.031 0.331 7 0 "[ . 1 . 2]" 3
7 1 15 SER H 1 35 LYS O . . 1.800 1.790 1.739 1.913 0.113 2 0 "[ . 1 . 2]" 3
8 1 15 SER N 1 35 LYS O . . 2.700 2.741 2.682 2.842 0.142 14 0 "[ . 1 . 2]" 3
9 1 15 SER O 1 34 THR H . . 1.800 1.834 1.750 2.006 0.206 6 0 "[ . 1 . 2]" 3
10 1 15 SER O 1 34 THR N . . 2.700 2.747 2.695 2.846 0.146 6 0 "[ . 1 . 2]" 3
11 1 17 ALA H 1 32 TYR O . . 1.800 1.815 1.749 2.001 0.201 6 0 "[ . 1 . 2]" 3
12 1 17 ALA N 1 32 TYR O . . 2.700 2.783 2.723 2.968 0.268 6 0 "[ . 1 . 2]" 3
13 1 19 GLY O 1 22 ASN H . . 1.800 1.904 1.794 2.012 0.212 14 0 "[ . 1 . 2]" 3
14 1 19 GLY O 1 22 ASN N . . 2.700 2.769 2.687 2.856 0.156 5 0 "[ . 1 . 2]" 3
15 1 28 ASP O 1 30 SER H . . 1.800 2.053 1.855 2.131 0.331 4 0 "[ . 1 . 2]" 3
16 1 28 ASP O 1 30 SER N . . 2.700 2.902 2.734 2.948 0.248 6 0 "[ . 1 . 2]" 3
17 1 33 VAL H 1 52 ASP O . . 1.800 1.921 1.821 2.020 0.220 11 0 "[ . 1 . 2]" 3
18 1 33 VAL N 1 52 ASP O . . 2.700 2.878 2.785 2.966 0.266 11 0 "[ . 1 . 2]" 3
19 1 37 ILE O 1 40 GLY H . . 1.800 2.012 1.877 2.089 0.289 15 0 "[ . 1 . 2]" 3
20 1 37 ILE O 1 40 GLY N . . 2.700 2.903 2.774 3.009 0.309 15 0 "[ . 1 . 2]" 3
21 1 41 ALA O 1 45 ASP H . . 1.800 1.862 1.801 1.954 0.154 14 0 "[ . 1 . 2]" 3
22 1 41 ALA O 1 45 ASP N . . 2.700 2.702 2.663 2.766 0.066 7 0 "[ . 1 . 2]" 3
23 1 53 LYS O 1 86 ALA H . . 1.800 1.858 1.773 2.035 0.235 16 0 "[ . 1 . 2]" 3
24 1 53 LYS O 1 86 ALA N . . 2.700 2.825 2.746 2.985 0.285 16 0 "[ . 1 . 2]" 3
25 1 55 LEU O 1 62 LEU H . . 1.800 1.792 1.766 1.827 0.027 15 0 "[ . 1 . 2]" 3
26 1 55 LEU O 1 62 LEU N . . 2.700 2.744 2.707 2.765 0.065 3 0 "[ . 1 . 2]" 3
27 1 56 ALA O 1 84 LYS H . . 1.800 1.837 1.765 1.983 0.183 4 0 "[ . 1 . 2]" 3
28 1 56 ALA O 1 84 LYS N . . 2.700 2.767 2.695 2.903 0.203 4 0 "[ . 1 . 2]" 3
29 1 56 ALA H 1 84 LYS O . . 1.800 2.032 1.958 2.089 0.289 13 0 "[ . 1 . 2]" 3
30 1 56 ALA N 1 84 LYS O . . 2.700 2.976 2.889 3.033 0.333 13 0 "[ . 1 . 2]" 3
31 1 57 VAL H 1 60 VAL O . . 1.800 1.982 1.814 2.050 0.250 1 0 "[ . 1 . 2]" 3
32 1 57 VAL N 1 60 VAL O . . 2.700 2.889 2.728 2.978 0.278 1 0 "[ . 1 . 2]" 3
33 1 57 VAL O 1 60 VAL H . . 1.800 1.975 1.884 2.099 0.299 14 0 "[ . 1 . 2]" 3
34 1 57 VAL O 1 60 VAL N . . 2.700 2.879 2.825 2.939 0.239 14 0 "[ . 1 . 2]" 3
35 1 58 ASN H 1 82 TYR O . . 1.800 1.751 1.713 1.779 . 0 0 "[ . 1 . 2]" 3
36 1 58 ASN N 1 82 TYR O . . 2.700 2.691 2.661 2.716 0.016 12 0 "[ . 1 . 2]" 3
37 1 66 THR O 1 69 GLU H . . 1.800 2.118 2.077 2.152 0.352 19 0 "[ . 1 . 2]" 3
38 1 66 THR O 1 69 GLU N . . 2.700 2.850 2.817 2.896 0.196 14 0 "[ . 1 . 2]" 3
39 1 68 GLU O 1 72 THR H . . 1.800 1.997 1.822 2.060 0.260 15 0 "[ . 1 . 2]" 3
40 1 68 GLU O 1 72 THR N . . 2.700 2.944 2.776 3.016 0.316 4 0 "[ . 1 . 2]" 3
41 1 71 VAL O 1 75 LYS H . . 1.800 1.919 1.792 2.028 0.228 4 0 "[ . 1 . 2]" 3
42 1 71 VAL O 1 75 LYS N . . 2.700 2.776 2.730 2.852 0.152 4 0 "[ . 1 . 2]" 3
43 1 75 LYS O 1 77 THR H . . 1.800 1.975 1.903 2.032 0.232 5 0 "[ . 1 . 2]" 3
44 1 75 LYS O 1 77 THR N . . 2.700 2.858 2.788 2.907 0.207 5 0 "[ . 1 . 2]" 3
45 1 1 MET H1 1 85 VAL O . . 1.800 3.307 1.773 3.762 1.962 12 18 "[*** .****-*+********]" 3
46 1 1 MET N 1 85 VAL O . . 2.700 2.985 2.805 3.040 0.340 1 0 "[ . 1 . 2]" 3
47 1 1 MET O 1 85 VAL H . . 1.800 1.797 1.742 1.935 0.135 5 0 "[ . 1 . 2]" 3
48 1 1 MET O 1 85 VAL N . . 2.700 2.737 2.694 2.838 0.138 5 0 "[ . 1 . 2]" 3
49 1 3 ILE O 1 83 LEU H . . 1.800 1.805 1.759 1.858 0.058 19 0 "[ . 1 . 2]" 3
50 1 3 ILE O 1 83 LEU N . . 2.700 2.744 2.692 2.795 0.095 5 0 "[ . 1 . 2]" 3
51 1 20 VAL H 1 65 VAL O . . 1.800 1.846 1.760 2.012 0.212 9 0 "[ . 1 . 2]" 3
52 1 20 VAL N 1 65 VAL O . . 2.700 2.775 2.707 2.855 0.155 14 0 "[ . 1 . 2]" 3
53 1 40 GLY O 1 43 HIS H . . 1.800 2.026 1.967 2.065 0.265 8 0 "[ . 1 . 2]" 3
54 1 40 GLY O 1 43 HIS N . . 2.700 2.859 2.813 2.905 0.205 3 0 "[ . 1 . 2]" 3
55 1 40 GLY O 1 44 LYS H . . 1.800 2.060 2.023 2.091 0.291 12 0 "[ . 1 . 2]" 3
56 1 40 GLY O 1 44 LYS N . . 2.700 2.927 2.753 3.008 0.308 19 0 "[ . 1 . 2]" 3
57 1 41 ALA O 1 46 GLY H . . 1.800 2.046 1.960 2.092 0.292 12 0 "[ . 1 . 2]" 3
58 1 41 ALA O 1 46 GLY N . . 2.700 2.909 2.782 3.025 0.325 8 0 "[ . 1 . 2]" 3
59 1 55 LEU H 1 84 LYS O . . 1.800 1.916 1.792 2.015 0.215 10 0 "[ . 1 . 2]" 3
60 1 55 LEU N 1 84 LYS O . . 2.700 2.755 2.670 2.866 0.166 9 0 "[ . 1 . 2]" 3
61 1 67 HIS O 1 71 VAL H . . 1.800 1.855 1.786 1.974 0.174 4 0 "[ . 1 . 2]" 3
62 1 67 HIS O 1 71 VAL N . . 2.700 2.830 2.770 2.941 0.241 4 0 "[ . 1 . 2]" 3
63 1 72 THR O 1 76 ASN H . . 1.800 2.033 2.002 2.071 0.271 16 0 "[ . 1 . 2]" 3
64 1 72 THR O 1 76 ASN N . . 2.700 2.887 2.843 2.967 0.267 18 0 "[ . 1 . 2]" 3
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