NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414071 |
2cqx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2cqx
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 1085
_Distance_constraint_stats_list.Viol_count 426
_Distance_constraint_stats_list.Viol_total 109.808
_Distance_constraint_stats_list.Viol_max 0.163
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_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 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PRO 0.163 0.163 16 0 "[ . 1 . 2]"
1 14 VAL 0.163 0.163 16 0 "[ . 1 . 2]"
1 16 LYS 0.312 0.162 17 0 "[ . 1 . 2]"
1 17 VAL 0.928 0.162 17 0 "[ . 1 . 2]"
1 18 GLU 0.026 0.021 20 0 "[ . 1 . 2]"
1 19 PRO 0.597 0.080 14 0 "[ . 1 . 2]"
1 20 ASN 0.102 0.016 13 0 "[ . 1 . 2]"
1 21 ASP 0.321 0.034 20 0 "[ . 1 . 2]"
1 22 THR 0.247 0.034 2 0 "[ . 1 . 2]"
1 23 LEU 0.141 0.014 20 0 "[ . 1 . 2]"
1 24 GLU 0.086 0.034 20 0 "[ . 1 . 2]"
1 25 LYS 0.213 0.019 14 0 "[ . 1 . 2]"
1 26 VAL 1.783 0.068 14 0 "[ . 1 . 2]"
1 27 PHE 0.734 0.042 19 0 "[ . 1 . 2]"
1 28 VAL 0.599 0.095 14 0 "[ . 1 . 2]"
1 29 SER 0.362 0.095 14 0 "[ . 1 . 2]"
1 30 VAL 0.913 0.068 14 0 "[ . 1 . 2]"
1 31 THR 0.400 0.030 14 0 "[ . 1 . 2]"
1 32 LYS 0.180 0.030 14 0 "[ . 1 . 2]"
1 33 TYR 0.006 0.006 2 0 "[ . 1 . 2]"
1 34 PRO 0.062 0.007 5 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 5 0 "[ . 1 . 2]"
1 36 GLU 0.001 0.001 3 0 "[ . 1 . 2]"
1 37 LYS 0.139 0.103 20 0 "[ . 1 . 2]"
1 38 ARG 0.181 0.036 13 0 "[ . 1 . 2]"
1 39 LEU 0.058 0.012 19 0 "[ . 1 . 2]"
1 40 LYS 0.048 0.028 15 0 "[ . 1 . 2]"
1 41 GLY 0.040 0.028 15 0 "[ . 1 . 2]"
1 42 LEU 0.093 0.019 2 0 "[ . 1 . 2]"
1 43 SER 0.032 0.017 2 0 "[ . 1 . 2]"
1 44 LYS 0.053 0.017 2 0 "[ . 1 . 2]"
1 45 GLN 0.008 0.005 12 0 "[ . 1 . 2]"
1 46 LEU 0.271 0.025 19 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 TRP 0.027 0.004 16 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 0.013 0.003 19 0 "[ . 1 . 2]"
1 51 ARG 0.012 0.006 20 0 "[ . 1 . 2]"
1 52 LYS 0.014 0.004 16 0 "[ . 1 . 2]"
1 53 ILE 0.018 0.007 20 0 "[ . 1 . 2]"
1 54 GLN 0.037 0.019 15 0 "[ . 1 . 2]"
1 55 CYS 0.089 0.052 20 0 "[ . 1 . 2]"
1 56 TRP 0.268 0.018 13 0 "[ . 1 . 2]"
1 57 PHE 0.048 0.019 15 0 "[ . 1 . 2]"
1 58 ARG 0.110 0.039 5 0 "[ . 1 . 2]"
1 59 HIS 0.085 0.039 5 0 "[ . 1 . 2]"
1 60 ARG 0.346 0.099 12 0 "[ . 1 . 2]"
1 61 ARG 0.030 0.011 5 0 "[ . 1 . 2]"
1 62 ASN 0.005 0.005 13 0 "[ . 1 . 2]"
1 63 GLN 0.002 0.002 20 0 "[ . 1 . 2]"
1 64 ASP 0.004 0.004 12 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.001 0.001 16 0 "[ . 1 . 2]"
1 69 PRO 0.001 0.001 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 9 ILE H 1 9 ILE HG12 . . 5.120 3.238 1.911 4.930 . 0 0 "[ . 1 . 2]" 1
2 1 9 ILE H 1 9 ILE QG . . 4.320 2.609 1.902 4.046 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE H 1 9 ILE HG13 . . 5.120 3.080 2.177 4.605 . 0 0 "[ . 1 . 2]" 1
4 1 12 SER HA 1 13 PRO HD2 . . 3.360 2.265 1.939 2.411 . 0 0 "[ . 1 . 2]" 1
5 1 12 SER HA 1 13 PRO HD3 . . 3.360 2.278 2.250 2.372 . 0 0 "[ . 1 . 2]" 1
6 1 13 PRO HA 1 14 VAL H . . 3.080 2.332 2.151 3.243 0.163 16 0 "[ . 1 . 2]" 1
7 1 13 PRO QB 1 14 VAL H . . 4.100 3.167 2.116 3.874 . 0 0 "[ . 1 . 2]" 1
8 1 14 VAL H 1 14 VAL HB . . 3.810 3.100 2.499 3.697 . 0 0 "[ . 1 . 2]" 1
9 1 14 VAL H 1 14 VAL MG1 . . 4.220 2.917 1.897 4.004 . 0 0 "[ . 1 . 2]" 1
10 1 14 VAL H 1 14 VAL MG2 . . 4.220 2.566 1.876 3.831 . 0 0 "[ . 1 . 2]" 1
11 1 16 LYS H 1 16 LYS QD . . 5.100 4.133 1.890 5.077 . 0 0 "[ . 1 . 2]" 1
12 1 16 LYS HA 1 16 LYS QD . . 4.710 3.343 1.990 4.374 . 0 0 "[ . 1 . 2]" 1
13 1 16 LYS HA 1 17 VAL H . . 2.860 2.221 2.141 2.428 . 0 0 "[ . 1 . 2]" 1
14 1 16 LYS HA 1 17 VAL MG1 . . 5.300 3.707 3.250 4.074 . 0 0 "[ . 1 . 2]" 1
15 1 16 LYS HA 1 17 VAL QG . . 4.370 3.331 3.224 3.675 . 0 0 "[ . 1 . 2]" 1
16 1 16 LYS HA 1 17 VAL MG2 . . 5.300 3.990 3.514 5.462 0.162 17 0 "[ . 1 . 2]" 1
17 1 16 LYS QB 1 17 VAL H . . 4.100 3.448 2.440 3.954 . 0 0 "[ . 1 . 2]" 1
18 1 16 LYS HB2 1 17 VAL H . . 4.700 4.141 2.837 4.585 . 0 0 "[ . 1 . 2]" 1
19 1 16 LYS HB3 1 17 VAL H . . 4.700 3.858 2.469 4.409 . 0 0 "[ . 1 . 2]" 1
20 1 16 LYS QG 1 17 VAL H . . 5.150 3.856 2.556 4.796 . 0 0 "[ . 1 . 2]" 1
21 1 17 VAL H 1 17 VAL HB . . 3.730 3.479 2.387 3.684 . 0 0 "[ . 1 . 2]" 1
22 1 17 VAL H 1 17 VAL MG1 . . 3.810 2.125 1.882 2.514 . 0 0 "[ . 1 . 2]" 1
23 1 17 VAL H 1 17 VAL QG . . 3.110 1.891 1.795 2.407 . 0 0 "[ . 1 . 2]" 1
24 1 17 VAL H 1 17 VAL MG2 . . 3.810 2.358 1.884 3.777 . 0 0 "[ . 1 . 2]" 1
25 1 17 VAL H 1 63 GLN QE . . 4.870 3.937 2.635 4.747 . 0 0 "[ . 1 . 2]" 1
26 1 17 VAL H 1 63 GLN QG . . 5.500 5.286 4.673 5.501 0.001 13 0 "[ . 1 . 2]" 1
27 1 17 VAL HA 1 17 VAL MG1 . . 3.640 2.472 2.204 3.200 . 0 0 "[ . 1 . 2]" 1
28 1 17 VAL HA 1 17 VAL QG . . 3.070 2.305 2.167 2.432 . 0 0 "[ . 1 . 2]" 1
29 1 17 VAL HA 1 17 VAL MG2 . . 3.640 3.090 2.328 3.202 . 0 0 "[ . 1 . 2]" 1
30 1 17 VAL HB 1 18 GLU H . . 3.840 3.517 3.428 3.722 . 0 0 "[ . 1 . 2]" 1
31 1 17 VAL HB 1 56 TRP HD1 . . 5.500 4.449 4.043 5.421 . 0 0 "[ . 1 . 2]" 1
32 1 17 VAL HB 1 56 TRP HE1 . . 4.570 4.259 3.906 4.588 0.018 13 0 "[ . 1 . 2]" 1
33 1 17 VAL QG 1 18 GLU H . . 3.490 1.757 1.723 1.824 . 0 0 "[ . 1 . 2]" 1
34 1 17 VAL QG 1 19 PRO HA . . 5.440 5.448 5.290 5.520 0.080 14 0 "[ . 1 . 2]" 1
35 1 17 VAL QG 1 21 ASP QB . . 5.240 4.735 4.526 4.939 . 0 0 "[ . 1 . 2]" 1
36 1 17 VAL QG 1 56 TRP HA . . 4.440 4.139 3.565 4.454 0.014 20 0 "[ . 1 . 2]" 1
37 1 17 VAL QG 1 56 TRP HD1 . . 3.990 2.898 2.378 3.338 . 0 0 "[ . 1 . 2]" 1
38 1 17 VAL QG 1 56 TRP HE1 . . 3.810 1.906 1.836 2.155 . 0 0 "[ . 1 . 2]" 1
39 1 17 VAL QG 1 56 TRP HZ2 . . 4.000 3.135 2.881 3.366 . 0 0 "[ . 1 . 2]" 1
40 1 17 VAL QG 1 59 HIS HA . . 5.440 5.195 4.718 5.451 0.011 5 0 "[ . 1 . 2]" 1
41 1 17 VAL QG 1 59 HIS HB2 . . 4.950 4.397 3.728 4.857 . 0 0 "[ . 1 . 2]" 1
42 1 17 VAL QG 1 59 HIS HB3 . . 3.880 3.370 2.943 3.669 . 0 0 "[ . 1 . 2]" 1
43 1 17 VAL QG 1 59 HIS HD1 . . 4.460 3.507 2.034 4.463 0.003 12 0 "[ . 1 . 2]" 1
44 1 17 VAL QG 1 60 ARG HA . . 4.280 3.805 3.233 4.226 . 0 0 "[ . 1 . 2]" 1
45 1 17 VAL QG 1 60 ARG QB . . 4.640 4.202 3.400 4.654 0.014 12 0 "[ . 1 . 2]" 1
46 1 17 VAL QG 1 60 ARG QD . . 3.900 3.571 2.991 3.904 0.004 15 0 "[ . 1 . 2]" 1
47 1 17 VAL QG 1 63 GLN QE . . 4.520 2.470 1.986 3.406 . 0 0 "[ . 1 . 2]" 1
48 1 17 VAL QG 1 63 GLN QG . . 4.840 3.202 2.499 4.220 . 0 0 "[ . 1 . 2]" 1
49 1 17 VAL MG1 1 18 GLU H . . 4.360 3.487 1.732 3.892 . 0 0 "[ . 1 . 2]" 1
50 1 17 VAL MG1 1 56 TRP HA . . 5.390 5.313 4.187 5.404 0.014 19 0 "[ . 1 . 2]" 1
51 1 17 VAL MG1 1 56 TRP HD1 . . 5.450 4.966 2.576 5.399 . 0 0 "[ . 1 . 2]" 1
52 1 17 VAL MG1 1 59 HIS HB3 . . 4.530 3.795 3.247 4.543 0.013 15 0 "[ . 1 . 2]" 1
53 1 17 VAL MG1 1 60 ARG H . . 5.500 4.988 4.328 5.447 . 0 0 "[ . 1 . 2]" 1
54 1 17 VAL MG1 1 60 ARG HA . . 5.050 4.103 3.528 4.664 . 0 0 "[ . 1 . 2]" 1
55 1 17 VAL MG2 1 18 GLU H . . 4.360 1.920 1.726 3.519 . 0 0 "[ . 1 . 2]" 1
56 1 17 VAL MG2 1 56 TRP HA . . 5.390 4.330 3.647 4.745 . 0 0 "[ . 1 . 2]" 1
57 1 17 VAL MG2 1 56 TRP HD1 . . 5.450 2.959 2.407 3.373 . 0 0 "[ . 1 . 2]" 1
58 1 17 VAL MG2 1 59 HIS HB3 . . 4.530 3.923 3.087 4.469 . 0 0 "[ . 1 . 2]" 1
59 1 17 VAL MG2 1 60 ARG H . . 5.500 4.918 4.140 5.503 0.003 4 0 "[ . 1 . 2]" 1
60 1 17 VAL MG2 1 60 ARG HA . . 5.050 4.527 3.756 5.049 . 0 0 "[ . 1 . 2]" 1
61 1 18 GLU H 1 18 GLU HB2 . . 3.870 2.888 2.785 3.003 . 0 0 "[ . 1 . 2]" 1
62 1 18 GLU H 1 18 GLU QB . . 3.200 2.803 2.712 2.905 . 0 0 "[ . 1 . 2]" 1
63 1 18 GLU H 1 18 GLU HB3 . . 3.870 3.793 3.736 3.863 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU H 1 18 GLU QG . . 4.110 3.844 3.754 4.111 0.001 12 0 "[ . 1 . 2]" 1
65 1 18 GLU H 1 21 ASP QB . . 5.500 5.264 5.167 5.521 0.021 20 0 "[ . 1 . 2]" 1
66 1 18 GLU H 1 56 TRP HD1 . . 4.650 4.399 4.199 4.652 0.002 20 0 "[ . 1 . 2]" 1
67 1 18 GLU H 1 56 TRP HE1 . . 4.810 2.914 2.644 3.163 . 0 0 "[ . 1 . 2]" 1
68 1 18 GLU HA 1 18 GLU QG . . 3.710 2.469 2.110 2.830 . 0 0 "[ . 1 . 2]" 1
69 1 18 GLU HA 1 19 PRO HD2 . . 3.140 2.533 2.522 2.551 . 0 0 "[ . 1 . 2]" 1
70 1 18 GLU HA 1 19 PRO HD3 . . 3.140 2.359 2.353 2.368 . 0 0 "[ . 1 . 2]" 1
71 1 18 GLU HA 1 19 PRO QG . . 4.810 4.087 4.080 4.100 . 0 0 "[ . 1 . 2]" 1
72 1 18 GLU QB 1 19 PRO QD . . 3.700 1.975 1.954 2.022 . 0 0 "[ . 1 . 2]" 1
73 1 18 GLU QB 1 48 TRP HH2 . . 4.550 2.326 2.089 2.690 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLU QB 1 56 TRP HD1 . . 4.570 2.008 1.970 2.255 . 0 0 "[ . 1 . 2]" 1
75 1 18 GLU QB 1 56 TRP HE1 . . 4.410 2.505 2.327 2.701 . 0 0 "[ . 1 . 2]" 1
76 1 18 GLU HB2 1 19 PRO HD2 . . 4.950 3.565 3.549 3.591 . 0 0 "[ . 1 . 2]" 1
77 1 18 GLU HB2 1 19 PRO HD3 . . 4.950 4.660 4.647 4.675 . 0 0 "[ . 1 . 2]" 1
78 1 18 GLU HB3 1 19 PRO HD2 . . 4.950 1.999 1.977 2.049 . 0 0 "[ . 1 . 2]" 1
79 1 18 GLU HB3 1 19 PRO HD3 . . 4.950 3.442 3.424 3.484 . 0 0 "[ . 1 . 2]" 1
80 1 18 GLU QG 1 19 PRO HD2 . . 4.550 2.691 2.181 3.118 . 0 0 "[ . 1 . 2]" 1
81 1 18 GLU QG 1 19 PRO QD . . 3.890 2.621 2.146 3.034 . 0 0 "[ . 1 . 2]" 1
82 1 18 GLU QG 1 19 PRO HD3 . . 4.550 3.642 3.192 4.157 . 0 0 "[ . 1 . 2]" 1
83 1 18 GLU QG 1 48 TRP HH2 . . 4.760 2.473 1.979 3.667 . 0 0 "[ . 1 . 2]" 1
84 1 18 GLU QG 1 48 TRP HZ2 . . 4.590 3.026 2.633 4.265 . 0 0 "[ . 1 . 2]" 1
85 1 18 GLU QG 1 56 TRP HD1 . . 5.500 3.416 3.003 3.939 . 0 0 "[ . 1 . 2]" 1
86 1 19 PRO HA 1 21 ASP H . . 3.520 3.186 3.128 3.269 . 0 0 "[ . 1 . 2]" 1
87 1 19 PRO HA 1 46 LEU MD2 . . 5.210 5.217 5.210 5.235 0.025 19 0 "[ . 1 . 2]" 1
88 1 19 PRO QB 1 21 ASP H . . 4.460 4.305 4.266 4.450 . 0 0 "[ . 1 . 2]" 1
89 1 19 PRO HB2 1 21 ASP H . . 5.300 4.595 4.528 4.780 . 0 0 "[ . 1 . 2]" 1
90 1 19 PRO HB3 1 21 ASP H . . 5.300 5.194 5.154 5.304 0.004 20 0 "[ . 1 . 2]" 1
91 1 19 PRO QG 1 46 LEU MD2 . . 5.160 4.102 3.924 4.239 . 0 0 "[ . 1 . 2]" 1
92 1 20 ASN HA 1 20 ASN QD . . 4.420 2.627 2.386 3.713 . 0 0 "[ . 1 . 2]" 1
93 1 20 ASN HA 1 22 THR H . . 4.710 3.419 3.267 3.487 . 0 0 "[ . 1 . 2]" 1
94 1 20 ASN HA 1 23 LEU H . . 4.900 4.181 4.111 4.283 . 0 0 "[ . 1 . 2]" 1
95 1 20 ASN HA 1 23 LEU HB2 . . 5.270 5.186 5.054 5.267 . 0 0 "[ . 1 . 2]" 1
96 1 20 ASN HA 1 56 TRP HE1 . . 5.500 5.308 5.082 5.516 0.016 13 0 "[ . 1 . 2]" 1
97 1 20 ASN HB2 1 20 ASN QD . . 3.460 2.681 2.534 2.853 . 0 0 "[ . 1 . 2]" 1
98 1 20 ASN HB2 1 21 ASP H . . 4.410 4.086 4.003 4.223 . 0 0 "[ . 1 . 2]" 1
99 1 20 ASN HB2 1 23 LEU H . . 5.250 5.048 4.945 5.162 . 0 0 "[ . 1 . 2]" 1
100 1 20 ASN HB2 1 23 LEU HB2 . . 4.720 4.672 4.454 4.734 0.014 20 0 "[ . 1 . 2]" 1
101 1 20 ASN HB2 1 23 LEU MD2 . . 4.750 3.479 3.288 3.643 . 0 0 "[ . 1 . 2]" 1
102 1 20 ASN HB2 1 48 TRP HH2 . . 4.340 3.065 2.379 3.333 . 0 0 "[ . 1 . 2]" 1
103 1 20 ASN HB2 1 48 TRP HZ2 . . 4.700 4.326 3.668 4.697 . 0 0 "[ . 1 . 2]" 1
104 1 20 ASN HB2 1 56 TRP HE1 . . 4.340 3.174 3.014 3.326 . 0 0 "[ . 1 . 2]" 1
105 1 20 ASN HB3 1 21 ASP H . . 4.420 4.307 4.272 4.358 . 0 0 "[ . 1 . 2]" 1
106 1 20 ASN HB3 1 23 LEU H . . 4.140 3.679 3.583 3.796 . 0 0 "[ . 1 . 2]" 1
107 1 20 ASN HB3 1 23 LEU HB2 . . 4.110 3.421 3.317 3.499 . 0 0 "[ . 1 . 2]" 1
108 1 20 ASN HB3 1 23 LEU HB3 . . 4.950 4.888 4.800 4.959 0.009 20 0 "[ . 1 . 2]" 1
109 1 20 ASN HB3 1 23 LEU MD2 . . 4.340 2.287 2.093 2.505 . 0 0 "[ . 1 . 2]" 1
110 1 20 ASN HB3 1 46 LEU MD1 . . 4.900 2.556 2.446 2.675 . 0 0 "[ . 1 . 2]" 1
111 1 20 ASN HB3 1 46 LEU MD2 . . 4.570 3.922 3.782 4.000 . 0 0 "[ . 1 . 2]" 1
112 1 20 ASN HB3 1 56 TRP HD1 . . 5.360 4.200 3.858 4.544 . 0 0 "[ . 1 . 2]" 1
113 1 20 ASN HB3 1 56 TRP HE1 . . 4.860 4.185 4.017 4.461 . 0 0 "[ . 1 . 2]" 1
114 1 20 ASN HB3 1 56 TRP HZ2 . . 5.050 5.029 4.922 5.059 0.009 12 0 "[ . 1 . 2]" 1
115 1 20 ASN QD 1 46 LEU MD2 . . 3.880 2.908 2.557 3.677 . 0 0 "[ . 1 . 2]" 1
116 1 20 ASN QD 1 48 TRP HZ2 . . 4.340 2.858 2.429 4.208 . 0 0 "[ . 1 . 2]" 1
117 1 20 ASN HD21 1 46 LEU MD2 . . 4.700 3.282 2.893 4.394 . 0 0 "[ . 1 . 2]" 1
118 1 20 ASN HD22 1 46 LEU MD2 . . 4.700 3.255 2.849 3.944 . 0 0 "[ . 1 . 2]" 1
119 1 21 ASP H 1 22 THR HA . . 5.500 5.407 5.305 5.465 . 0 0 "[ . 1 . 2]" 1
120 1 21 ASP H 1 24 GLU QB . . 5.340 5.331 5.252 5.374 0.034 20 0 "[ . 1 . 2]" 1
121 1 21 ASP H 1 56 TRP HE1 . . 4.630 4.372 4.048 4.626 . 0 0 "[ . 1 . 2]" 1
122 1 21 ASP H 1 56 TRP HZ2 . . 4.690 4.498 4.222 4.689 . 0 0 "[ . 1 . 2]" 1
123 1 21 ASP HA 1 22 THR HB . . 5.500 5.510 5.493 5.534 0.034 2 0 "[ . 1 . 2]" 1
124 1 21 ASP HA 1 23 LEU H . . 4.590 3.678 3.486 3.857 . 0 0 "[ . 1 . 2]" 1
125 1 21 ASP HA 1 24 GLU H . . 3.790 3.087 3.032 3.144 . 0 0 "[ . 1 . 2]" 1
126 1 21 ASP HA 1 24 GLU HB2 . . 4.130 3.210 2.823 3.451 . 0 0 "[ . 1 . 2]" 1
127 1 21 ASP HA 1 24 GLU QB . . 3.580 2.969 2.772 3.084 . 0 0 "[ . 1 . 2]" 1
128 1 21 ASP HA 1 24 GLU HB3 . . 4.130 3.607 3.253 4.128 . 0 0 "[ . 1 . 2]" 1
129 1 21 ASP HA 1 56 TRP HE1 . . 4.420 4.019 3.728 4.295 . 0 0 "[ . 1 . 2]" 1
130 1 21 ASP HA 1 56 TRP HZ2 . . 3.890 2.419 2.043 2.646 . 0 0 "[ . 1 . 2]" 1
131 1 21 ASP QB 1 22 THR H . . 3.450 2.980 2.649 3.459 0.009 2 0 "[ . 1 . 2]" 1
132 1 21 ASP QB 1 23 LEU H . . 5.030 4.676 4.500 4.867 . 0 0 "[ . 1 . 2]" 1
133 1 22 THR H 1 22 THR HB . . 3.010 2.536 2.494 2.591 . 0 0 "[ . 1 . 2]" 1
134 1 22 THR H 1 22 THR MG . . 4.010 3.783 3.774 3.793 . 0 0 "[ . 1 . 2]" 1
135 1 22 THR H 1 23 LEU H . . 3.240 2.963 2.900 3.021 . 0 0 "[ . 1 . 2]" 1
136 1 22 THR H 1 23 LEU MD1 . . 4.970 3.870 3.750 3.951 . 0 0 "[ . 1 . 2]" 1
137 1 22 THR H 1 24 GLU H . . 4.720 4.566 4.417 4.654 . 0 0 "[ . 1 . 2]" 1
138 1 22 THR H 1 42 LEU MD2 . . 5.500 5.448 5.319 5.507 0.007 12 0 "[ . 1 . 2]" 1
139 1 22 THR H 1 46 LEU MD1 . . 5.240 4.040 3.751 4.185 . 0 0 "[ . 1 . 2]" 1
140 1 22 THR H 1 46 LEU MD2 . . 5.100 3.763 3.434 3.970 . 0 0 "[ . 1 . 2]" 1
141 1 22 THR HA 1 22 THR MG . . 3.280 2.513 2.463 2.548 . 0 0 "[ . 1 . 2]" 1
142 1 22 THR HA 1 25 LYS H . . 4.150 3.949 3.851 4.052 . 0 0 "[ . 1 . 2]" 1
143 1 22 THR HA 1 25 LYS QB . . 4.040 3.680 3.586 3.808 . 0 0 "[ . 1 . 2]" 1
144 1 22 THR HA 1 25 LYS QD . . 5.130 4.266 2.762 5.119 . 0 0 "[ . 1 . 2]" 1
145 1 22 THR HB 1 23 LEU H . . 3.190 2.865 2.722 3.025 . 0 0 "[ . 1 . 2]" 1
146 1 22 THR HB 1 23 LEU MD1 . . 4.290 2.687 2.613 2.768 . 0 0 "[ . 1 . 2]" 1
147 1 22 THR HB 1 23 LEU HG . . 5.500 5.450 5.361 5.509 0.009 16 0 "[ . 1 . 2]" 1
148 1 22 THR HB 1 24 GLU H . . 5.500 5.346 5.209 5.493 . 0 0 "[ . 1 . 2]" 1
149 1 22 THR HB 1 42 LEU MD2 . . 4.210 3.484 3.333 3.615 . 0 0 "[ . 1 . 2]" 1
150 1 22 THR HB 1 46 LEU MD1 . . 3.680 2.635 2.346 2.860 . 0 0 "[ . 1 . 2]" 1
151 1 22 THR HB 1 46 LEU MD2 . . 3.830 3.140 2.848 3.325 . 0 0 "[ . 1 . 2]" 1
152 1 22 THR MG 1 23 LEU H . . 3.940 3.343 3.206 3.485 . 0 0 "[ . 1 . 2]" 1
153 1 22 THR MG 1 23 LEU HA . . 4.420 3.257 3.147 3.411 . 0 0 "[ . 1 . 2]" 1
154 1 22 THR MG 1 23 LEU MD1 . . 4.060 2.471 2.337 2.621 . 0 0 "[ . 1 . 2]" 1
155 1 22 THR MG 1 25 LYS H . . 5.120 4.529 4.389 4.718 . 0 0 "[ . 1 . 2]" 1
156 1 22 THR MG 1 26 VAL H . . 4.560 4.068 3.943 4.272 . 0 0 "[ . 1 . 2]" 1
157 1 22 THR MG 1 42 LEU MD2 . . 3.550 2.384 2.079 2.635 . 0 0 "[ . 1 . 2]" 1
158 1 22 THR MG 1 45 GLN HB2 . . 5.420 5.073 4.677 5.397 . 0 0 "[ . 1 . 2]" 1
159 1 22 THR MG 1 45 GLN HB3 . . 5.130 4.519 4.200 4.879 . 0 0 "[ . 1 . 2]" 1
160 1 22 THR MG 1 45 GLN HE21 . . 4.330 3.080 1.892 4.205 . 0 0 "[ . 1 . 2]" 1
161 1 22 THR MG 1 45 GLN HE22 . . 4.330 2.669 1.887 4.149 . 0 0 "[ . 1 . 2]" 1
162 1 22 THR MG 1 46 LEU MD1 . . 3.570 3.202 2.993 3.404 . 0 0 "[ . 1 . 2]" 1
163 1 22 THR MG 1 46 LEU MD2 . . 4.140 3.920 3.734 4.096 . 0 0 "[ . 1 . 2]" 1
164 1 23 LEU H 1 23 LEU HB2 . . 3.350 2.271 2.241 2.307 . 0 0 "[ . 1 . 2]" 1
165 1 23 LEU H 1 23 LEU HB3 . . 3.880 3.541 3.528 3.553 . 0 0 "[ . 1 . 2]" 1
166 1 23 LEU H 1 23 LEU MD1 . . 3.970 2.080 1.983 2.172 . 0 0 "[ . 1 . 2]" 1
167 1 23 LEU H 1 23 LEU MD2 . . 4.080 3.621 3.530 3.684 . 0 0 "[ . 1 . 2]" 1
168 1 23 LEU H 1 23 LEU HG . . 4.150 3.970 3.897 4.067 . 0 0 "[ . 1 . 2]" 1
169 1 23 LEU H 1 24 GLU H . . 3.370 2.658 2.577 2.756 . 0 0 "[ . 1 . 2]" 1
170 1 23 LEU H 1 24 GLU HB2 . . 5.500 4.935 4.508 5.194 . 0 0 "[ . 1 . 2]" 1
171 1 23 LEU H 1 24 GLU QB . . 4.690 4.297 4.204 4.377 . 0 0 "[ . 1 . 2]" 1
172 1 23 LEU H 1 24 GLU HB3 . . 5.500 4.773 4.507 5.196 . 0 0 "[ . 1 . 2]" 1
173 1 23 LEU H 1 25 LYS H . . 4.900 4.216 4.080 4.366 . 0 0 "[ . 1 . 2]" 1
174 1 23 LEU H 1 46 LEU MD1 . . 4.510 3.674 3.511 3.801 . 0 0 "[ . 1 . 2]" 1
175 1 23 LEU H 1 46 LEU MD2 . . 4.910 4.770 4.609 4.916 0.006 19 0 "[ . 1 . 2]" 1
176 1 23 LEU HA 1 23 LEU MD1 . . 3.120 2.238 2.135 2.293 . 0 0 "[ . 1 . 2]" 1
177 1 23 LEU HA 1 23 LEU HG . . 4.070 2.681 2.628 2.750 . 0 0 "[ . 1 . 2]" 1
178 1 23 LEU HA 1 25 LYS H . . 4.970 3.866 3.701 4.042 . 0 0 "[ . 1 . 2]" 1
179 1 23 LEU HA 1 26 VAL H . . 4.210 3.442 3.361 3.540 . 0 0 "[ . 1 . 2]" 1
180 1 23 LEU HA 1 26 VAL HB . . 3.660 3.235 3.092 3.329 . 0 0 "[ . 1 . 2]" 1
181 1 23 LEU HA 1 26 VAL MG1 . . 3.770 2.452 2.347 2.642 . 0 0 "[ . 1 . 2]" 1
182 1 23 LEU HA 1 27 PHE H . . 4.400 3.798 3.677 3.998 . 0 0 "[ . 1 . 2]" 1
183 1 23 LEU HA 1 57 PHE HZ . . 4.500 3.390 3.119 3.600 . 0 0 "[ . 1 . 2]" 1
184 1 23 LEU HB2 1 24 GLU H . . 3.690 2.570 2.501 2.737 . 0 0 "[ . 1 . 2]" 1
185 1 23 LEU HB2 1 56 TRP HZ2 . . 4.340 3.908 3.825 4.043 . 0 0 "[ . 1 . 2]" 1
186 1 23 LEU HB3 1 24 GLU H . . 4.140 3.295 3.209 3.449 . 0 0 "[ . 1 . 2]" 1
187 1 23 LEU HB3 1 56 TRP HZ2 . . 5.230 5.081 4.906 5.172 . 0 0 "[ . 1 . 2]" 1
188 1 23 LEU MD1 1 24 GLU H . . 5.010 4.010 3.973 4.054 . 0 0 "[ . 1 . 2]" 1
189 1 23 LEU MD1 1 26 VAL H . . 5.120 5.013 4.961 5.098 . 0 0 "[ . 1 . 2]" 1
190 1 23 LEU MD1 1 26 VAL HB . . 4.630 4.491 4.388 4.603 . 0 0 "[ . 1 . 2]" 1
191 1 23 LEU MD1 1 26 VAL MG1 . . 4.120 3.666 3.552 3.808 . 0 0 "[ . 1 . 2]" 1
192 1 23 LEU MD1 1 42 LEU HB2 . . 4.520 4.057 3.900 4.157 . 0 0 "[ . 1 . 2]" 1
193 1 23 LEU MD1 1 42 LEU HB3 . . 4.450 2.930 2.748 3.057 . 0 0 "[ . 1 . 2]" 1
194 1 23 LEU MD1 1 42 LEU MD1 . . 3.330 2.144 1.945 2.349 . 0 0 "[ . 1 . 2]" 1
195 1 23 LEU MD1 1 42 LEU MD2 . . 2.940 1.772 1.687 1.886 . 0 0 "[ . 1 . 2]" 1
196 1 23 LEU MD1 1 46 LEU MD1 . . 3.270 1.970 1.842 2.021 . 0 0 "[ . 1 . 2]" 1
197 1 23 LEU MD1 1 53 ILE MD . . 4.230 4.049 3.738 4.229 . 0 0 "[ . 1 . 2]" 1
198 1 23 LEU MD1 1 53 ILE HG12 . . 4.900 4.211 3.860 4.565 . 0 0 "[ . 1 . 2]" 1
199 1 23 LEU MD1 1 53 ILE MG . . 3.390 2.996 2.810 3.210 . 0 0 "[ . 1 . 2]" 1
200 1 23 LEU MD1 1 57 PHE QE . . 3.550 3.536 3.500 3.555 0.005 12 0 "[ . 1 . 2]" 1
201 1 23 LEU MD1 1 57 PHE HZ . . 4.190 3.929 3.756 4.192 0.002 12 0 "[ . 1 . 2]" 1
202 1 23 LEU MD2 1 24 GLU H . . 5.350 4.384 4.285 4.562 . 0 0 "[ . 1 . 2]" 1
203 1 23 LEU MD2 1 46 LEU MD1 . . 3.720 3.036 2.875 3.094 . 0 0 "[ . 1 . 2]" 1
204 1 23 LEU MD2 1 46 LEU MD2 . . 4.910 4.874 4.737 4.917 0.007 12 0 "[ . 1 . 2]" 1
205 1 23 LEU MD2 1 48 TRP HE3 . . 4.110 3.903 3.484 4.062 . 0 0 "[ . 1 . 2]" 1
206 1 23 LEU MD2 1 48 TRP HH2 . . 5.300 5.045 4.543 5.300 0.000 17 0 "[ . 1 . 2]" 1
207 1 23 LEU MD2 1 48 TRP HZ3 . . 3.910 3.635 3.057 3.869 . 0 0 "[ . 1 . 2]" 1
208 1 23 LEU MD2 1 53 ILE HA . . 4.250 3.384 3.053 3.714 . 0 0 "[ . 1 . 2]" 1
209 1 23 LEU MD2 1 53 ILE MD . . 4.730 3.956 3.653 4.155 . 0 0 "[ . 1 . 2]" 1
210 1 23 LEU MD2 1 53 ILE HG12 . . 4.400 3.536 3.173 3.938 . 0 0 "[ . 1 . 2]" 1
211 1 23 LEU MD2 1 53 ILE MG . . 3.710 1.770 1.703 1.851 . 0 0 "[ . 1 . 2]" 1
212 1 23 LEU MD2 1 56 TRP H . . 5.190 4.465 4.240 4.636 . 0 0 "[ . 1 . 2]" 1
213 1 23 LEU MD2 1 56 TRP HB2 . . 4.550 3.530 3.272 3.727 . 0 0 "[ . 1 . 2]" 1
214 1 23 LEU MD2 1 56 TRP HB3 . . 4.620 2.484 2.242 2.649 . 0 0 "[ . 1 . 2]" 1
215 1 23 LEU MD2 1 56 TRP HD1 . . 4.580 4.333 4.037 4.583 0.003 17 0 "[ . 1 . 2]" 1
216 1 23 LEU MD2 1 56 TRP HE1 . . 4.850 4.661 4.384 4.848 . 0 0 "[ . 1 . 2]" 1
217 1 23 LEU MD2 1 56 TRP HE3 . . 4.610 2.309 2.163 2.576 . 0 0 "[ . 1 . 2]" 1
218 1 23 LEU MD2 1 57 PHE QE . . 4.360 2.103 1.972 2.633 . 0 0 "[ . 1 . 2]" 1
219 1 23 LEU HG 1 24 GLU H . . 5.170 5.071 5.028 5.152 . 0 0 "[ . 1 . 2]" 1
220 1 23 LEU HG 1 26 VAL MG1 . . 3.700 3.249 3.137 3.429 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU HG 1 46 LEU MD1 . . 4.210 4.194 3.997 4.217 0.007 5 0 "[ . 1 . 2]" 1
222 1 24 GLU H 1 24 GLU HB2 . . 3.230 2.482 2.173 2.666 . 0 0 "[ . 1 . 2]" 1
223 1 24 GLU H 1 24 GLU QB . . 2.830 2.254 2.128 2.291 . 0 0 "[ . 1 . 2]" 1
224 1 24 GLU H 1 24 GLU HB3 . . 3.230 2.657 2.445 3.037 . 0 0 "[ . 1 . 2]" 1
225 1 24 GLU H 1 24 GLU HG2 . . 4.880 4.496 4.312 4.651 . 0 0 "[ . 1 . 2]" 1
226 1 24 GLU H 1 24 GLU QG . . 4.290 3.975 3.747 4.060 . 0 0 "[ . 1 . 2]" 1
227 1 24 GLU H 1 24 GLU HG3 . . 4.880 4.449 4.011 4.641 . 0 0 "[ . 1 . 2]" 1
228 1 24 GLU H 1 25 LYS H . . 3.440 2.963 2.887 3.040 . 0 0 "[ . 1 . 2]" 1
229 1 24 GLU H 1 26 VAL H . . 5.160 5.015 4.971 5.050 . 0 0 "[ . 1 . 2]" 1
230 1 24 GLU H 1 56 TRP HH2 . . 4.410 2.205 2.079 2.318 . 0 0 "[ . 1 . 2]" 1
231 1 24 GLU H 1 56 TRP HZ2 . . 3.960 3.298 3.221 3.414 . 0 0 "[ . 1 . 2]" 1
232 1 24 GLU HA 1 26 VAL H . . 5.480 5.358 5.282 5.407 . 0 0 "[ . 1 . 2]" 1
233 1 24 GLU HA 1 27 PHE H . . 4.110 4.006 3.848 4.097 . 0 0 "[ . 1 . 2]" 1
234 1 24 GLU HA 1 27 PHE HB2 . . 4.250 3.613 3.335 3.747 . 0 0 "[ . 1 . 2]" 1
235 1 24 GLU HA 1 27 PHE HB3 . . 3.840 2.906 2.695 3.002 . 0 0 "[ . 1 . 2]" 1
236 1 24 GLU HA 1 27 PHE QD . . 5.020 4.374 4.061 4.517 . 0 0 "[ . 1 . 2]" 1
237 1 24 GLU HA 1 28 VAL H . . 5.000 4.838 4.692 4.971 . 0 0 "[ . 1 . 2]" 1
238 1 24 GLU HA 1 28 VAL MG1 . . 4.810 4.582 4.439 4.774 . 0 0 "[ . 1 . 2]" 1
239 1 24 GLU HA 1 56 TRP HH2 . . 3.240 2.039 1.997 2.087 . 0 0 "[ . 1 . 2]" 1
240 1 24 GLU QB 1 25 LYS H . . 3.710 2.689 2.542 2.874 . 0 0 "[ . 1 . 2]" 1
241 1 24 GLU QB 1 56 TRP HH2 . . 4.110 2.110 1.987 2.502 . 0 0 "[ . 1 . 2]" 1
242 1 24 GLU QB 1 56 TRP HZ2 . . 4.350 2.881 2.804 2.995 . 0 0 "[ . 1 . 2]" 1
243 1 24 GLU HB2 1 56 TRP HH2 . . 4.680 2.129 2.005 2.533 . 0 0 "[ . 1 . 2]" 1
244 1 24 GLU HB3 1 56 TRP HH2 . . 4.680 3.449 3.222 3.888 . 0 0 "[ . 1 . 2]" 1
245 1 24 GLU QG 1 28 VAL MG1 . . 4.130 3.712 3.341 4.072 . 0 0 "[ . 1 . 2]" 1
246 1 25 LYS H 1 25 LYS HB2 . . 3.580 2.385 2.201 2.723 . 0 0 "[ . 1 . 2]" 1
247 1 25 LYS H 1 25 LYS QB . . 2.710 2.244 2.179 2.335 . 0 0 "[ . 1 . 2]" 1
248 1 25 LYS H 1 25 LYS HB3 . . 3.580 3.001 2.409 3.572 . 0 0 "[ . 1 . 2]" 1
249 1 25 LYS H 1 25 LYS QD . . 4.770 4.153 3.399 4.550 . 0 0 "[ . 1 . 2]" 1
250 1 25 LYS H 1 25 LYS HG2 . . 4.780 4.299 3.522 4.669 . 0 0 "[ . 1 . 2]" 1
251 1 25 LYS H 1 25 LYS QG . . 4.080 3.470 2.426 4.068 . 0 0 "[ . 1 . 2]" 1
252 1 25 LYS H 1 25 LYS HG3 . . 4.780 3.756 2.472 4.594 . 0 0 "[ . 1 . 2]" 1
253 1 25 LYS H 1 26 VAL MG1 . . 4.600 4.336 4.242 4.472 . 0 0 "[ . 1 . 2]" 1
254 1 25 LYS H 1 27 PHE H . . 4.680 3.837 3.734 3.975 . 0 0 "[ . 1 . 2]" 1
255 1 25 LYS HA 1 25 LYS QD . . 4.290 3.839 2.312 4.122 . 0 0 "[ . 1 . 2]" 1
256 1 25 LYS HA 1 25 LYS HG2 . . 3.990 2.957 2.376 3.646 . 0 0 "[ . 1 . 2]" 1
257 1 25 LYS HA 1 25 LYS HG3 . . 3.990 2.573 2.301 3.073 . 0 0 "[ . 1 . 2]" 1
258 1 25 LYS HA 1 28 VAL H . . 4.200 3.624 3.517 3.657 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS HA 1 28 VAL MG1 . . 3.360 2.734 2.590 2.790 . 0 0 "[ . 1 . 2]" 1
260 1 25 LYS HA 1 28 VAL MG2 . . 5.200 5.205 5.149 5.219 0.019 14 0 "[ . 1 . 2]" 1
261 1 25 LYS HA 1 29 SER H . . 4.540 4.472 4.294 4.544 0.004 7 0 "[ . 1 . 2]" 1
262 1 25 LYS QB 1 26 VAL H . . 3.410 2.044 1.937 2.197 . 0 0 "[ . 1 . 2]" 1
263 1 25 LYS QB 1 27 PHE H . . 5.340 4.313 4.258 4.382 . 0 0 "[ . 1 . 2]" 1
264 1 25 LYS QB 1 28 VAL MG1 . . 4.790 4.305 4.164 4.410 . 0 0 "[ . 1 . 2]" 1
265 1 25 LYS HB2 1 28 VAL MG1 . . 5.500 4.949 4.724 5.175 . 0 0 "[ . 1 . 2]" 1
266 1 25 LYS HB3 1 28 VAL MG1 . . 5.500 4.790 4.417 5.114 . 0 0 "[ . 1 . 2]" 1
267 1 25 LYS QG 1 26 VAL H . . 4.910 3.605 2.953 4.120 . 0 0 "[ . 1 . 2]" 1
268 1 26 VAL H 1 26 VAL HB . . 3.060 2.179 2.173 2.185 . 0 0 "[ . 1 . 2]" 1
269 1 26 VAL H 1 26 VAL MG1 . . 3.080 2.898 2.876 2.951 . 0 0 "[ . 1 . 2]" 1
270 1 26 VAL H 1 26 VAL MG2 . . 3.790 3.555 3.532 3.569 . 0 0 "[ . 1 . 2]" 1
271 1 26 VAL H 1 27 PHE H . . 3.220 2.893 2.870 2.936 . 0 0 "[ . 1 . 2]" 1
272 1 26 VAL H 1 27 PHE HB2 . . 5.500 5.463 5.285 5.534 0.034 19 0 "[ . 1 . 2]" 1
273 1 26 VAL H 1 28 VAL H . . 4.870 4.564 4.481 4.590 . 0 0 "[ . 1 . 2]" 1
274 1 26 VAL H 1 42 LEU MD2 . . 5.500 5.393 5.138 5.503 0.003 8 0 "[ . 1 . 2]" 1
275 1 26 VAL HA 1 26 VAL MG1 . . 3.230 3.134 3.127 3.139 . 0 0 "[ . 1 . 2]" 1
276 1 26 VAL HA 1 26 VAL MG2 . . 2.940 2.036 1.977 2.161 . 0 0 "[ . 1 . 2]" 1
277 1 26 VAL HA 1 29 SER H . . 4.380 3.025 2.993 3.071 . 0 0 "[ . 1 . 2]" 1
278 1 26 VAL HA 1 30 VAL H . . 3.710 2.640 2.556 2.675 . 0 0 "[ . 1 . 2]" 1
279 1 26 VAL HA 1 30 VAL MG1 . . 3.220 2.446 1.972 2.651 . 0 0 "[ . 1 . 2]" 1
280 1 26 VAL HA 1 30 VAL MG2 . . 4.240 3.119 2.970 3.349 . 0 0 "[ . 1 . 2]" 1
281 1 26 VAL HA 1 31 THR H . . 4.300 4.179 4.068 4.230 . 0 0 "[ . 1 . 2]" 1
282 1 26 VAL HA 1 31 THR MG . . 5.500 5.509 5.446 5.524 0.024 15 0 "[ . 1 . 2]" 1
283 1 26 VAL HB 1 27 PHE H . . 3.570 3.595 3.539 3.612 0.042 19 0 "[ . 1 . 2]" 1
284 1 26 VAL HB 1 57 PHE HZ . . 4.470 4.338 4.187 4.458 . 0 0 "[ . 1 . 2]" 1
285 1 26 VAL MG1 1 27 PHE H . . 3.550 1.948 1.874 2.015 . 0 0 "[ . 1 . 2]" 1
286 1 26 VAL MG1 1 27 PHE HB2 . . 4.900 3.305 3.201 3.365 . 0 0 "[ . 1 . 2]" 1
287 1 26 VAL MG1 1 30 VAL HB . . 5.320 5.366 5.353 5.388 0.068 14 0 "[ . 1 . 2]" 1
288 1 26 VAL MG1 1 30 VAL MG1 . . 3.970 3.819 3.500 3.970 . 10 0 "[ . 1 . 2]" 1
289 1 26 VAL MG1 1 31 THR H . . 4.080 3.791 3.641 3.967 . 0 0 "[ . 1 . 2]" 1
290 1 26 VAL MG1 1 31 THR MG . . 3.990 3.675 3.606 3.870 . 0 0 "[ . 1 . 2]" 1
291 1 26 VAL MG1 1 38 ARG HD2 . . 4.350 3.900 3.453 4.356 0.006 5 0 "[ . 1 . 2]" 1
292 1 26 VAL MG1 1 38 ARG QG . . 4.480 3.825 2.942 4.483 0.003 10 0 "[ . 1 . 2]" 1
293 1 26 VAL MG1 1 42 LEU MD1 . . 3.290 2.734 2.500 3.056 . 0 0 "[ . 1 . 2]" 1
294 1 26 VAL MG1 1 57 PHE QE . . 3.830 2.451 2.260 2.764 . 0 0 "[ . 1 . 2]" 1
295 1 26 VAL MG1 1 57 PHE HZ . . 3.230 1.970 1.850 2.068 . 0 0 "[ . 1 . 2]" 1
296 1 26 VAL MG2 1 27 PHE H . . 4.290 4.054 4.015 4.084 . 0 0 "[ . 1 . 2]" 1
297 1 26 VAL MG2 1 27 PHE HA . . 4.640 4.492 4.397 4.535 . 0 0 "[ . 1 . 2]" 1
298 1 26 VAL MG2 1 29 SER HB2 . . 4.590 4.264 3.604 4.557 . 0 0 "[ . 1 . 2]" 1
299 1 26 VAL MG2 1 29 SER HB3 . . 4.590 3.237 3.045 4.103 . 0 0 "[ . 1 . 2]" 1
300 1 26 VAL MG2 1 30 VAL H . . 4.170 3.024 2.854 3.185 . 0 0 "[ . 1 . 2]" 1
301 1 26 VAL MG2 1 30 VAL HB . . 3.720 3.533 3.448 3.584 . 0 0 "[ . 1 . 2]" 1
302 1 26 VAL MG2 1 30 VAL MG1 . . 3.490 1.747 1.637 1.810 . 0 0 "[ . 1 . 2]" 1
303 1 26 VAL MG2 1 30 VAL MG2 . . 3.780 1.749 1.680 1.810 . 0 0 "[ . 1 . 2]" 1
304 1 26 VAL MG2 1 31 THR H . . 3.900 3.575 3.445 3.643 . 0 0 "[ . 1 . 2]" 1
305 1 26 VAL MG2 1 31 THR MG . . 4.050 3.711 3.643 3.779 . 0 0 "[ . 1 . 2]" 1
306 1 26 VAL MG2 1 38 ARG HD2 . . 4.350 3.374 3.061 3.735 . 0 0 "[ . 1 . 2]" 1
307 1 26 VAL MG2 1 38 ARG HD3 . . 3.730 2.122 1.846 2.612 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL MG2 1 38 ARG HG2 . . 5.500 3.632 3.000 4.057 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL MG2 1 38 ARG QG . . 4.690 3.345 2.819 3.762 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL MG2 1 38 ARG HG3 . . 5.500 3.929 3.425 4.451 . 0 0 "[ . 1 . 2]" 1
311 1 26 VAL MG2 1 57 PHE HZ . . 4.280 4.060 3.923 4.207 . 0 0 "[ . 1 . 2]" 1
312 1 27 PHE H 1 27 PHE HB2 . . 3.070 2.688 2.545 2.776 . 0 0 "[ . 1 . 2]" 1
313 1 27 PHE H 1 27 PHE HB3 . . 3.130 2.389 2.310 2.520 . 0 0 "[ . 1 . 2]" 1
314 1 27 PHE H 1 27 PHE QD . . 4.280 4.131 4.084 4.180 . 0 0 "[ . 1 . 2]" 1
315 1 27 PHE H 1 28 VAL H . . 3.570 2.859 2.804 2.891 . 0 0 "[ . 1 . 2]" 1
316 1 27 PHE H 1 28 VAL MG1 . . 4.920 4.184 4.077 4.394 . 0 0 "[ . 1 . 2]" 1
317 1 27 PHE H 1 29 SER H . . 4.930 3.707 3.678 3.731 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE H 1 56 TRP HH2 . . 5.500 5.463 5.272 5.507 0.007 20 0 "[ . 1 . 2]" 1
319 1 27 PHE H 1 56 TRP HZ3 . . 4.900 4.846 4.724 4.908 0.008 20 0 "[ . 1 . 2]" 1
320 1 27 PHE H 1 57 PHE HZ . . 4.480 4.297 3.994 4.482 0.002 14 0 "[ . 1 . 2]" 1
321 1 27 PHE HA 1 27 PHE QD . . 4.220 3.146 3.009 3.236 . 0 0 "[ . 1 . 2]" 1
322 1 27 PHE HA 1 32 LYS HA . . 4.070 2.686 2.369 3.092 . 0 0 "[ . 1 . 2]" 1
323 1 27 PHE HA 1 57 PHE QE . . 4.110 2.443 2.262 2.681 . 0 0 "[ . 1 . 2]" 1
324 1 27 PHE HB2 1 28 VAL H . . 4.210 3.942 3.852 3.974 . 0 0 "[ . 1 . 2]" 1
325 1 27 PHE HB2 1 56 TRP HH2 . . 4.880 4.692 4.234 4.854 . 0 0 "[ . 1 . 2]" 1
326 1 27 PHE HB2 1 56 TRP HZ3 . . 4.120 3.271 3.070 3.384 . 0 0 "[ . 1 . 2]" 1
327 1 27 PHE HB2 1 57 PHE QE . . 4.360 2.352 2.089 2.872 . 0 0 "[ . 1 . 2]" 1
328 1 27 PHE HB3 1 28 VAL H . . 3.400 2.580 2.486 2.627 . 0 0 "[ . 1 . 2]" 1
329 1 27 PHE HB3 1 28 VAL MG1 . . 4.480 3.529 3.282 3.879 . 0 0 "[ . 1 . 2]" 1
330 1 27 PHE HB3 1 28 VAL MG2 . . 5.500 5.428 5.300 5.514 0.014 19 0 "[ . 1 . 2]" 1
331 1 27 PHE HB3 1 56 TRP HH2 . . 4.670 4.616 4.344 4.675 0.005 20 0 "[ . 1 . 2]" 1
332 1 27 PHE HB3 1 56 TRP HZ3 . . 4.830 4.112 3.915 4.276 . 0 0 "[ . 1 . 2]" 1
333 1 27 PHE HB3 1 57 PHE QE . . 4.980 3.883 3.611 4.406 . 0 0 "[ . 1 . 2]" 1
334 1 27 PHE QD 1 28 VAL H . . 4.160 2.692 2.562 2.906 . 0 0 "[ . 1 . 2]" 1
335 1 27 PHE QD 1 28 VAL HA . . 4.140 3.172 2.806 3.536 . 0 0 "[ . 1 . 2]" 1
336 1 27 PHE QD 1 28 VAL MG1 . . 3.730 2.882 2.522 3.312 . 0 0 "[ . 1 . 2]" 1
337 1 27 PHE QD 1 28 VAL MG2 . . 4.040 3.828 3.613 3.950 . 0 0 "[ . 1 . 2]" 1
338 1 27 PHE QD 1 32 LYS HA . . 4.020 2.853 2.294 3.222 . 0 0 "[ . 1 . 2]" 1
339 1 27 PHE QD 1 56 TRP HZ3 . . 4.490 4.119 3.280 4.493 0.003 19 0 "[ . 1 . 2]" 1
340 1 27 PHE QD 1 57 PHE QD . . 3.960 2.132 1.997 2.482 . 0 0 "[ . 1 . 2]" 1
341 1 27 PHE QD 1 57 PHE QE . . 3.930 3.215 2.696 3.531 . 0 0 "[ . 1 . 2]" 1
342 1 27 PHE QD 1 60 ARG QG . . 4.960 3.601 3.231 4.271 . 0 0 "[ . 1 . 2]" 1
343 1 27 PHE QE 1 32 LYS HA . . 4.220 3.445 3.234 3.588 . 0 0 "[ . 1 . 2]" 1
344 1 27 PHE QE 1 32 LYS QB . . 4.340 2.551 2.220 3.034 . 0 0 "[ . 1 . 2]" 1
345 1 27 PHE QE 1 32 LYS QD . . 4.680 2.941 1.982 4.023 . 0 0 "[ . 1 . 2]" 1
346 1 27 PHE QE 1 32 LYS QE . . 3.990 2.774 1.959 4.006 0.016 19 0 "[ . 1 . 2]" 1
347 1 27 PHE QE 1 32 LYS QG . . 4.720 3.046 2.178 4.389 . 0 0 "[ . 1 . 2]" 1
348 1 27 PHE QE 1 60 ARG QG . . 4.570 3.995 3.548 4.581 0.011 12 0 "[ . 1 . 2]" 1
349 1 27 PHE QE 1 61 ARG H . . 4.210 3.993 3.374 4.211 0.001 2 0 "[ . 1 . 2]" 1
350 1 27 PHE QE 1 61 ARG HA . . 4.090 3.915 3.647 4.101 0.011 5 0 "[ . 1 . 2]" 1
351 1 27 PHE QE 1 61 ARG HD2 . . 4.940 3.634 2.669 4.536 . 0 0 "[ . 1 . 2]" 1
352 1 27 PHE QE 1 61 ARG QD . . 4.310 3.203 2.546 4.007 . 0 0 "[ . 1 . 2]" 1
353 1 27 PHE QE 1 61 ARG HD3 . . 4.940 4.018 2.632 4.942 0.002 4 0 "[ . 1 . 2]" 1
354 1 27 PHE QE 1 61 ARG HG2 . . 3.910 2.496 1.994 3.189 . 0 0 "[ . 1 . 2]" 1
355 1 27 PHE QE 1 61 ARG HG3 . . 3.910 2.754 2.015 3.648 . 0 0 "[ . 1 . 2]" 1
356 1 27 PHE HZ 1 32 LYS QB . . 4.130 2.839 2.477 3.753 . 0 0 "[ . 1 . 2]" 1
357 1 27 PHE HZ 1 32 LYS QD . . 4.360 2.681 1.827 4.169 . 0 0 "[ . 1 . 2]" 1
358 1 27 PHE HZ 1 32 LYS QE . . 4.260 3.378 1.920 4.229 . 0 0 "[ . 1 . 2]" 1
359 1 27 PHE HZ 1 61 ARG H . . 5.420 5.081 4.663 5.411 . 0 0 "[ . 1 . 2]" 1
360 1 27 PHE HZ 1 61 ARG HA . . 3.800 3.665 3.387 3.796 . 0 0 "[ . 1 . 2]" 1
361 1 27 PHE HZ 1 61 ARG QG . . 3.930 2.796 2.281 3.459 . 0 0 "[ . 1 . 2]" 1
362 1 27 PHE HZ 1 64 ASP HB2 . . 5.410 5.107 4.490 5.409 . 0 0 "[ . 1 . 2]" 1
363 1 27 PHE HZ 1 64 ASP HB3 . . 5.410 5.110 4.425 5.414 0.004 12 0 "[ . 1 . 2]" 1
364 1 28 VAL H 1 28 VAL HB . . 3.240 2.992 2.834 3.024 . 0 0 "[ . 1 . 2]" 1
365 1 28 VAL H 1 28 VAL MG1 . . 3.090 2.068 1.880 2.329 . 0 0 "[ . 1 . 2]" 1
366 1 28 VAL H 1 28 VAL MG2 . . 3.850 3.820 3.810 3.860 0.010 14 0 "[ . 1 . 2]" 1
367 1 28 VAL H 1 29 SER H . . 3.210 2.280 2.245 2.293 . 0 0 "[ . 1 . 2]" 1
368 1 28 VAL HA 1 28 VAL MG1 . . 3.260 3.191 3.183 3.200 . 0 0 "[ . 1 . 2]" 1
369 1 28 VAL HA 1 28 VAL MG2 . . 3.250 2.300 2.197 2.322 . 0 0 "[ . 1 . 2]" 1
370 1 28 VAL HB 1 29 SER H . . 4.500 4.455 4.358 4.473 . 0 0 "[ . 1 . 2]" 1
371 1 28 VAL MG1 1 29 SER H . . 3.600 2.979 2.875 3.078 . 0 0 "[ . 1 . 2]" 1
372 1 28 VAL MG1 1 29 SER HB2 . . 4.680 3.395 3.317 3.753 . 0 0 "[ . 1 . 2]" 1
373 1 28 VAL MG1 1 29 SER QB . . 4.000 3.318 3.247 3.623 . 0 0 "[ . 1 . 2]" 1
374 1 28 VAL MG1 1 29 SER HB3 . . 4.680 4.689 4.627 4.775 0.095 14 0 "[ . 1 . 2]" 1
375 1 28 VAL MG2 1 29 SER H . . 4.250 4.076 4.039 4.188 . 0 0 "[ . 1 . 2]" 1
376 1 29 SER H 1 29 SER HB2 . . 3.570 2.521 2.296 2.613 . 0 0 "[ . 1 . 2]" 1
377 1 29 SER H 1 29 SER QB . . 3.110 2.369 2.268 2.402 . 0 0 "[ . 1 . 2]" 1
378 1 29 SER H 1 29 SER HB3 . . 3.570 2.927 2.802 3.525 . 0 0 "[ . 1 . 2]" 1
379 1 29 SER H 1 30 VAL H . . 2.860 2.247 2.221 2.282 . 0 0 "[ . 1 . 2]" 1
380 1 29 SER H 1 30 VAL MG1 . . 4.150 3.937 3.734 4.047 . 0 0 "[ . 1 . 2]" 1
381 1 29 SER H 1 31 THR H . . 4.430 3.483 3.433 3.536 . 0 0 "[ . 1 . 2]" 1
382 1 29 SER QB 1 30 VAL H . . 3.910 2.431 2.410 2.545 . 0 0 "[ . 1 . 2]" 1
383 1 29 SER QB 1 30 VAL MG1 . . 3.600 2.268 2.207 2.579 . 0 0 "[ . 1 . 2]" 1
384 1 29 SER HB2 1 30 VAL H . . 4.500 3.420 2.697 3.565 . 0 0 "[ . 1 . 2]" 1
385 1 29 SER HB2 1 30 VAL MG1 . . 4.100 3.758 2.971 3.887 . 0 0 "[ . 1 . 2]" 1
386 1 29 SER HB3 1 30 VAL H . . 4.500 2.531 2.454 3.122 . 0 0 "[ . 1 . 2]" 1
387 1 29 SER HB3 1 30 VAL MG1 . . 4.100 2.303 2.221 2.831 . 0 0 "[ . 1 . 2]" 1
388 1 30 VAL H 1 30 VAL HB . . 3.820 3.754 3.717 3.767 . 0 0 "[ . 1 . 2]" 1
389 1 30 VAL H 1 30 VAL MG1 . . 3.250 2.263 2.066 2.360 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL H 1 31 THR HA . . 4.800 4.545 4.504 4.617 . 0 0 "[ . 1 . 2]" 1
391 1 30 VAL H 1 31 THR MG . . 4.910 4.307 4.255 4.370 . 0 0 "[ . 1 . 2]" 1
392 1 30 VAL HA 1 30 VAL MG1 . . 3.030 2.547 2.504 2.608 . 0 0 "[ . 1 . 2]" 1
393 1 30 VAL HA 1 30 VAL MG2 . . 3.340 3.177 3.148 3.191 . 0 0 "[ . 1 . 2]" 1
394 1 30 VAL HB 1 31 THR H . . 4.450 3.787 3.699 3.872 . 0 0 "[ . 1 . 2]" 1
395 1 30 VAL HB 1 31 THR MG . . 3.960 3.717 3.613 3.836 . 0 0 "[ . 1 . 2]" 1
396 1 30 VAL MG2 1 31 THR H . . 3.480 1.837 1.793 1.911 . 0 0 "[ . 1 . 2]" 1
397 1 30 VAL MG2 1 31 THR HB . . 3.780 2.918 2.770 3.029 . 0 0 "[ . 1 . 2]" 1
398 1 30 VAL MG2 1 31 THR MG . . 2.970 1.825 1.780 1.868 . 0 0 "[ . 1 . 2]" 1
399 1 30 VAL MG2 1 38 ARG QB . . 5.340 4.240 4.009 4.601 . 0 0 "[ . 1 . 2]" 1
400 1 30 VAL MG2 1 38 ARG HD2 . . 4.600 2.838 2.483 3.254 . 0 0 "[ . 1 . 2]" 1
401 1 30 VAL MG2 1 38 ARG HD3 . . 4.480 2.345 1.970 2.939 . 0 0 "[ . 1 . 2]" 1
402 1 31 THR H 1 31 THR HB . . 4.100 3.520 3.480 3.548 . 0 0 "[ . 1 . 2]" 1
403 1 31 THR H 1 31 THR MG . . 3.340 2.584 2.534 2.630 . 0 0 "[ . 1 . 2]" 1
404 1 31 THR H 1 32 LYS H . . 4.640 4.216 4.160 4.279 . 0 0 "[ . 1 . 2]" 1
405 1 31 THR HA 1 32 LYS H . . 2.750 2.245 2.209 2.306 . 0 0 "[ . 1 . 2]" 1
406 1 31 THR HA 1 33 TYR H . . 4.390 4.069 3.798 4.296 . 0 0 "[ . 1 . 2]" 1
407 1 31 THR HB 1 32 LYS H . . 4.040 4.021 3.912 4.070 0.030 14 0 "[ . 1 . 2]" 1
408 1 31 THR MG 1 32 LYS H . . 4.320 3.713 3.605 3.811 . 0 0 "[ . 1 . 2]" 1
409 1 31 THR MG 1 33 TYR H . . 3.530 3.218 2.916 3.480 . 0 0 "[ . 1 . 2]" 1
410 1 31 THR MG 1 34 PRO HA . . 3.180 2.080 1.936 2.192 . 0 0 "[ . 1 . 2]" 1
411 1 31 THR MG 1 34 PRO HB2 . . 4.600 3.869 3.637 4.132 . 0 0 "[ . 1 . 2]" 1
412 1 31 THR MG 1 34 PRO HB3 . . 3.690 2.669 2.382 3.007 . 0 0 "[ . 1 . 2]" 1
413 1 31 THR MG 1 34 PRO HD2 . . 4.650 4.165 3.878 4.392 . 0 0 "[ . 1 . 2]" 1
414 1 31 THR MG 1 34 PRO HD3 . . 3.710 3.040 2.742 3.342 . 0 0 "[ . 1 . 2]" 1
415 1 31 THR MG 1 35 ASP H . . 4.290 3.931 3.679 4.071 . 0 0 "[ . 1 . 2]" 1
416 1 31 THR MG 1 38 ARG HD2 . . 3.650 3.172 2.734 3.486 . 0 0 "[ . 1 . 2]" 1
417 1 31 THR MG 1 38 ARG HD3 . . 4.310 3.843 3.455 4.192 . 0 0 "[ . 1 . 2]" 1
418 1 31 THR MG 1 57 PHE QE . . 4.760 4.548 4.180 4.733 . 0 0 "[ . 1 . 2]" 1
419 1 32 LYS H 1 32 LYS QB . . 3.100 2.494 2.284 2.670 . 0 0 "[ . 1 . 2]" 1
420 1 32 LYS H 1 32 LYS HG2 . . 3.890 3.012 1.894 3.765 . 0 0 "[ . 1 . 2]" 1
421 1 32 LYS H 1 32 LYS QG . . 3.140 2.194 1.881 2.632 . 0 0 "[ . 1 . 2]" 1
422 1 32 LYS H 1 32 LYS HG3 . . 3.890 2.582 1.925 3.449 . 0 0 "[ . 1 . 2]" 1
423 1 32 LYS H 1 33 TYR H . . 3.020 2.472 2.382 2.573 . 0 0 "[ . 1 . 2]" 1
424 1 32 LYS H 1 33 TYR HB2 . . 5.070 4.718 4.458 4.940 . 0 0 "[ . 1 . 2]" 1
425 1 32 LYS H 1 33 TYR QD . . 4.720 4.209 3.508 4.701 . 0 0 "[ . 1 . 2]" 1
426 1 32 LYS HA 1 32 LYS QD . . 4.770 3.720 2.368 4.447 . 0 0 "[ . 1 . 2]" 1
427 1 32 LYS HA 1 32 LYS QE . . 4.920 4.491 4.009 4.778 . 0 0 "[ . 1 . 2]" 1
428 1 32 LYS HA 1 32 LYS HG2 . . 4.000 2.793 2.294 3.891 . 0 0 "[ . 1 . 2]" 1
429 1 32 LYS HA 1 32 LYS QG . . 3.380 2.635 2.246 3.338 . 0 0 "[ . 1 . 2]" 1
430 1 32 LYS HA 1 32 LYS HG3 . . 4.000 3.336 2.810 3.907 . 0 0 "[ . 1 . 2]" 1
431 1 32 LYS HA 1 57 PHE QD . . 4.840 4.267 3.875 4.616 . 0 0 "[ . 1 . 2]" 1
432 1 32 LYS HA 1 57 PHE QE . . 4.500 4.237 3.665 4.504 0.004 11 0 "[ . 1 . 2]" 1
433 1 32 LYS QB 1 33 TYR H . . 3.850 2.782 2.515 3.579 . 0 0 "[ . 1 . 2]" 1
434 1 32 LYS QB 1 33 TYR QD . . 3.560 2.385 1.942 3.268 . 0 0 "[ . 1 . 2]" 1
435 1 32 LYS QB 1 33 TYR QE . . 3.740 3.308 2.551 3.729 . 0 0 "[ . 1 . 2]" 1
436 1 32 LYS QB 1 61 ARG QD . . 4.010 3.756 2.883 4.012 0.002 2 0 "[ . 1 . 2]" 1
437 1 32 LYS QB 1 61 ARG QG . . 4.340 3.795 3.435 4.119 . 0 0 "[ . 1 . 2]" 1
438 1 32 LYS QE 1 32 LYS HG2 . . 3.610 2.534 2.094 3.411 . 0 0 "[ . 1 . 2]" 1
439 1 32 LYS QE 1 32 LYS HG3 . . 3.610 2.631 2.190 3.302 . 0 0 "[ . 1 . 2]" 1
440 1 32 LYS QG 1 33 TYR H . . 4.670 3.815 2.086 4.224 . 0 0 "[ . 1 . 2]" 1
441 1 33 TYR H 1 33 TYR HB2 . . 3.320 2.497 2.382 2.699 . 0 0 "[ . 1 . 2]" 1
442 1 33 TYR H 1 33 TYR HB3 . . 3.980 3.649 3.560 3.767 . 0 0 "[ . 1 . 2]" 1
443 1 33 TYR H 1 33 TYR QD . . 3.710 2.840 2.224 3.245 . 0 0 "[ . 1 . 2]" 1
444 1 33 TYR H 1 34 PRO HA . . 5.150 4.736 4.565 4.883 . 0 0 "[ . 1 . 2]" 1
445 1 33 TYR H 1 34 PRO HD2 . . 4.650 4.271 4.148 4.472 . 0 0 "[ . 1 . 2]" 1
446 1 33 TYR H 1 34 PRO HD3 . . 4.690 3.640 3.439 3.959 . 0 0 "[ . 1 . 2]" 1
447 1 33 TYR HA 1 33 TYR QD . . 3.650 2.971 2.651 3.168 . 0 0 "[ . 1 . 2]" 1
448 1 33 TYR HA 1 34 PRO HD2 . . 3.260 1.977 1.922 2.001 . 0 0 "[ . 1 . 2]" 1
449 1 33 TYR HA 1 34 PRO HD3 . . 3.670 2.738 2.595 2.792 . 0 0 "[ . 1 . 2]" 1
450 1 33 TYR QE 1 61 ARG HD2 . . 4.410 2.649 1.997 3.835 . 0 0 "[ . 1 . 2]" 1
451 1 33 TYR QE 1 61 ARG QD . . 3.840 2.376 1.897 3.613 . 0 0 "[ . 1 . 2]" 1
452 1 33 TYR QE 1 61 ARG HD3 . . 4.410 3.123 2.027 4.416 0.006 2 0 "[ . 1 . 2]" 1
453 1 34 PRO HA 1 35 ASP H . . 2.980 2.388 2.241 2.495 . 0 0 "[ . 1 . 2]" 1
454 1 34 PRO HA 1 38 ARG QB . . 4.160 3.810 3.221 4.105 . 0 0 "[ . 1 . 2]" 1
455 1 34 PRO HA 1 38 ARG HD2 . . 4.080 3.667 2.856 4.087 0.007 5 0 "[ . 1 . 2]" 1
456 1 34 PRO HA 1 38 ARG HD3 . . 5.250 5.137 4.483 5.256 0.006 15 0 "[ . 1 . 2]" 1
457 1 34 PRO HB2 1 38 ARG H . . 5.380 4.373 3.984 4.676 . 0 0 "[ . 1 . 2]" 1
458 1 34 PRO HB2 1 38 ARG HD2 . . 4.580 3.135 2.551 4.376 . 0 0 "[ . 1 . 2]" 1
459 1 34 PRO HB2 1 39 LEU H . . 4.610 3.959 3.708 4.252 . 0 0 "[ . 1 . 2]" 1
460 1 34 PRO HB2 1 39 LEU MD2 . . 3.460 2.532 2.036 2.821 . 0 0 "[ . 1 . 2]" 1
461 1 34 PRO HB3 1 35 ASP H . . 4.560 3.475 3.341 3.707 . 0 0 "[ . 1 . 2]" 1
462 1 34 PRO HB3 1 38 ARG HD2 . . 4.140 2.347 1.996 3.578 . 0 0 "[ . 1 . 2]" 1
463 1 34 PRO HB3 1 39 LEU MD2 . . 4.210 3.898 3.356 4.208 . 0 0 "[ . 1 . 2]" 1
464 1 34 PRO HD2 1 39 LEU MD2 . . 5.380 4.590 4.037 4.918 . 0 0 "[ . 1 . 2]" 1
465 1 34 PRO HD2 1 57 PHE QD . . 4.500 3.382 2.826 3.683 . 0 0 "[ . 1 . 2]" 1
466 1 34 PRO HD2 1 57 PHE QE . . 4.830 4.099 3.519 4.464 . 0 0 "[ . 1 . 2]" 1
467 1 34 PRO HD3 1 57 PHE QD . . 4.430 3.371 2.992 3.714 . 0 0 "[ . 1 . 2]" 1
468 1 34 PRO HD3 1 57 PHE QE . . 4.320 3.180 2.556 3.506 . 0 0 "[ . 1 . 2]" 1
469 1 34 PRO HD3 1 57 PHE HZ . . 5.110 4.566 4.197 5.101 . 0 0 "[ . 1 . 2]" 1
470 1 34 PRO QG 1 39 LEU MD1 . . 3.870 3.707 3.247 3.873 0.003 18 0 "[ . 1 . 2]" 1
471 1 34 PRO QG 1 39 LEU MD2 . . 3.450 2.644 2.052 2.922 . 0 0 "[ . 1 . 2]" 1
472 1 34 PRO QG 1 39 LEU HG . . 5.250 5.026 4.270 5.257 0.007 6 0 "[ . 1 . 2]" 1
473 1 34 PRO QG 1 57 PHE HZ . . 4.580 2.908 2.610 3.315 . 0 0 "[ . 1 . 2]" 1
474 1 34 PRO HG2 1 39 LEU MD2 . . 4.330 2.713 2.081 3.009 . 0 0 "[ . 1 . 2]" 1
475 1 34 PRO HG3 1 39 LEU MD2 . . 4.330 3.662 3.110 3.961 . 0 0 "[ . 1 . 2]" 1
476 1 35 ASP H 1 35 ASP QB . . 3.590 2.623 2.289 3.138 . 0 0 "[ . 1 . 2]" 1
477 1 35 ASP H 1 36 GLU H . . 5.100 4.484 4.439 4.585 . 0 0 "[ . 1 . 2]" 1
478 1 35 ASP H 1 38 ARG HB2 . . 4.480 3.099 2.662 3.701 . 0 0 "[ . 1 . 2]" 1
479 1 35 ASP H 1 38 ARG QB . . 3.880 2.822 2.484 3.510 . 0 0 "[ . 1 . 2]" 1
480 1 35 ASP H 1 38 ARG HB3 . . 4.480 3.309 2.794 4.360 . 0 0 "[ . 1 . 2]" 1
481 1 35 ASP H 1 39 LEU MD2 . . 4.720 3.509 3.170 4.099 . 0 0 "[ . 1 . 2]" 1
482 1 35 ASP HA 1 36 GLU H . . 3.290 2.423 2.317 2.551 . 0 0 "[ . 1 . 2]" 1
483 1 35 ASP HA 1 37 LYS H . . 4.900 4.470 3.981 4.818 . 0 0 "[ . 1 . 2]" 1
484 1 35 ASP QB 1 36 GLU H . . 3.150 2.600 2.104 3.143 . 0 0 "[ . 1 . 2]" 1
485 1 35 ASP QB 1 37 LYS H . . 3.930 2.812 2.310 3.187 . 0 0 "[ . 1 . 2]" 1
486 1 35 ASP HB2 1 36 GLU H . . 4.010 3.567 2.389 4.010 . 5 0 "[ . 1 . 2]" 1
487 1 35 ASP HB2 1 37 LYS H . . 4.580 3.589 2.816 4.494 . 0 0 "[ . 1 . 2]" 1
488 1 35 ASP HB3 1 36 GLU H . . 4.010 2.770 2.125 3.453 . 0 0 "[ . 1 . 2]" 1
489 1 35 ASP HB3 1 37 LYS H . . 4.580 3.226 2.324 4.535 . 0 0 "[ . 1 . 2]" 1
490 1 36 GLU H 1 36 GLU HB2 . . 3.680 2.476 2.197 3.626 . 0 0 "[ . 1 . 2]" 1
491 1 36 GLU H 1 36 GLU QB . . 3.160 2.264 2.149 2.513 . 0 0 "[ . 1 . 2]" 1
492 1 36 GLU H 1 36 GLU HB3 . . 3.680 2.754 2.513 3.589 . 0 0 "[ . 1 . 2]" 1
493 1 36 GLU H 1 36 GLU HG2 . . 4.910 4.452 3.269 4.670 . 0 0 "[ . 1 . 2]" 1
494 1 36 GLU H 1 36 GLU QG . . 4.300 3.893 3.079 4.079 . 0 0 "[ . 1 . 2]" 1
495 1 36 GLU H 1 36 GLU HG3 . . 4.910 4.323 3.413 4.637 . 0 0 "[ . 1 . 2]" 1
496 1 36 GLU H 1 37 LYS H . . 3.640 3.039 2.769 3.227 . 0 0 "[ . 1 . 2]" 1
497 1 36 GLU H 1 39 LEU MD2 . . 5.210 3.524 3.197 3.862 . 0 0 "[ . 1 . 2]" 1
498 1 36 GLU HA 1 36 GLU QG . . 3.680 2.548 2.147 3.504 . 0 0 "[ . 1 . 2]" 1
499 1 36 GLU HA 1 38 ARG H . . 4.840 4.425 4.035 4.766 . 0 0 "[ . 1 . 2]" 1
500 1 36 GLU HA 1 39 LEU H . . 4.230 3.283 3.122 3.535 . 0 0 "[ . 1 . 2]" 1
501 1 36 GLU HA 1 39 LEU HB2 . . 3.480 2.068 1.995 2.406 . 0 0 "[ . 1 . 2]" 1
502 1 36 GLU HA 1 39 LEU HB3 . . 4.340 3.588 3.443 3.991 . 0 0 "[ . 1 . 2]" 1
503 1 36 GLU HA 1 39 LEU MD2 . . 3.280 2.640 2.166 3.067 . 0 0 "[ . 1 . 2]" 1
504 1 36 GLU HA 1 39 LEU HG . . 4.260 3.193 2.793 3.673 . 0 0 "[ . 1 . 2]" 1
505 1 36 GLU HA 1 50 VAL MG2 . . 4.070 2.827 2.571 3.241 . 0 0 "[ . 1 . 2]" 1
506 1 36 GLU QB 1 37 LYS H . . 3.310 2.511 2.141 3.311 0.001 3 0 "[ . 1 . 2]" 1
507 1 36 GLU QG 1 37 LYS H . . 4.450 3.585 1.891 4.443 . 0 0 "[ . 1 . 2]" 1
508 1 36 GLU QG 1 40 LYS QG . . 4.670 2.842 2.245 4.414 . 0 0 "[ . 1 . 2]" 1
509 1 36 GLU QG 1 50 VAL MG2 . . 4.680 2.737 1.914 4.625 . 0 0 "[ . 1 . 2]" 1
510 1 36 GLU HG2 1 40 LYS QD . . 5.500 4.015 2.992 5.456 . 0 0 "[ . 1 . 2]" 1
511 1 36 GLU HG3 1 40 LYS QD . . 5.500 4.590 3.150 5.494 . 0 0 "[ . 1 . 2]" 1
512 1 37 LYS H 1 37 LYS QB . . 2.860 2.368 2.233 2.655 . 0 0 "[ . 1 . 2]" 1
513 1 37 LYS H 1 37 LYS QD . . 4.250 3.709 1.938 4.250 . 0 0 "[ . 1 . 2]" 1
514 1 37 LYS H 1 37 LYS HG2 . . 4.430 3.083 2.066 4.106 . 0 0 "[ . 1 . 2]" 1
515 1 37 LYS H 1 37 LYS QG . . 3.600 2.502 1.890 3.345 . 0 0 "[ . 1 . 2]" 1
516 1 37 LYS H 1 37 LYS HG3 . . 4.430 3.146 1.905 3.796 . 0 0 "[ . 1 . 2]" 1
517 1 37 LYS H 1 38 ARG H . . 3.170 3.029 2.581 3.170 . 13 0 "[ . 1 . 2]" 1
518 1 37 LYS H 1 39 LEU H . . 4.620 4.294 3.954 4.620 0.000 16 0 "[ . 1 . 2]" 1
519 1 37 LYS HA 1 37 LYS QD . . 4.520 3.332 2.120 4.385 . 0 0 "[ . 1 . 2]" 1
520 1 37 LYS HA 1 37 LYS HG2 . . 4.020 2.903 2.225 4.123 0.103 20 0 "[ . 1 . 2]" 1
521 1 37 LYS HA 1 37 LYS HG3 . . 4.020 3.254 2.180 3.947 . 0 0 "[ . 1 . 2]" 1
522 1 37 LYS HA 1 40 LYS H . . 4.090 3.968 3.449 4.091 0.001 17 0 "[ . 1 . 2]" 1
523 1 37 LYS HA 1 40 LYS QB . . 3.880 3.570 3.015 3.875 . 0 0 "[ . 1 . 2]" 1
524 1 37 LYS HA 1 40 LYS QD . . 5.200 3.864 2.059 5.177 . 0 0 "[ . 1 . 2]" 1
525 1 37 LYS HA 1 40 LYS QG . . 4.890 3.067 2.281 3.835 . 0 0 "[ . 1 . 2]" 1
526 1 37 LYS QB 1 38 ARG H . . 3.330 2.588 2.280 3.288 . 0 0 "[ . 1 . 2]" 1
527 1 37 LYS HB2 1 38 ARG H . . 3.960 2.727 2.334 3.640 . 0 0 "[ . 1 . 2]" 1
528 1 37 LYS HB3 1 38 ARG H . . 3.960 3.273 2.804 3.992 0.032 20 0 "[ . 1 . 2]" 1
529 1 37 LYS QG 1 38 ARG H . . 5.340 3.755 1.772 4.327 . 0 0 "[ . 1 . 2]" 1
530 1 38 ARG H 1 38 ARG HB2 . . 3.130 2.330 2.221 2.581 . 0 0 "[ . 1 . 2]" 1
531 1 38 ARG H 1 38 ARG HB3 . . 3.130 2.773 2.546 2.888 . 0 0 "[ . 1 . 2]" 1
532 1 38 ARG H 1 38 ARG HD2 . . 4.900 4.646 4.302 4.931 0.031 19 0 "[ . 1 . 2]" 1
533 1 38 ARG H 1 38 ARG QG . . 4.520 3.948 3.874 4.040 . 0 0 "[ . 1 . 2]" 1
534 1 38 ARG H 1 39 LEU H . . 3.180 2.606 2.347 2.826 . 0 0 "[ . 1 . 2]" 1
535 1 38 ARG H 1 39 LEU MD2 . . 4.730 3.552 3.274 3.830 . 0 0 "[ . 1 . 2]" 1
536 1 38 ARG HA 1 38 ARG HD2 . . 4.730 4.330 3.507 4.651 . 0 0 "[ . 1 . 2]" 1
537 1 38 ARG HA 1 38 ARG HD3 . . 4.770 4.619 3.951 4.806 0.036 13 0 "[ . 1 . 2]" 1
538 1 38 ARG HA 1 38 ARG HG2 . . 3.880 3.152 2.828 3.702 . 0 0 "[ . 1 . 2]" 1
539 1 38 ARG HA 1 38 ARG QG . . 3.290 2.264 2.149 2.521 . 0 0 "[ . 1 . 2]" 1
540 1 38 ARG HA 1 38 ARG HG3 . . 3.880 2.328 2.185 2.566 . 0 0 "[ . 1 . 2]" 1
541 1 38 ARG HA 1 39 LEU MD2 . . 5.060 4.626 4.197 4.946 . 0 0 "[ . 1 . 2]" 1
542 1 38 ARG HA 1 41 GLY H . . 4.400 3.627 3.496 3.945 . 0 0 "[ . 1 . 2]" 1
543 1 38 ARG HA 1 42 LEU MD1 . . 5.500 5.150 4.502 5.494 . 0 0 "[ . 1 . 2]" 1
544 1 38 ARG QB 1 39 LEU H . . 3.740 2.483 2.195 2.821 . 0 0 "[ . 1 . 2]" 1
545 1 38 ARG QB 1 39 LEU MD2 . . 3.990 2.616 2.295 2.880 . 0 0 "[ . 1 . 2]" 1
546 1 38 ARG HB2 1 38 ARG HD2 . . 4.230 2.480 2.165 2.943 . 0 0 "[ . 1 . 2]" 1
547 1 38 ARG HB2 1 39 LEU H . . 4.390 3.620 3.486 3.807 . 0 0 "[ . 1 . 2]" 1
548 1 38 ARG HB2 1 39 LEU MD2 . . 4.580 3.970 3.690 4.353 . 0 0 "[ . 1 . 2]" 1
549 1 38 ARG HB3 1 38 ARG HD2 . . 4.230 2.718 2.342 3.462 . 0 0 "[ . 1 . 2]" 1
550 1 38 ARG HB3 1 39 LEU H . . 4.390 2.532 2.217 2.907 . 0 0 "[ . 1 . 2]" 1
551 1 38 ARG HB3 1 39 LEU MD2 . . 4.580 2.654 2.315 2.931 . 0 0 "[ . 1 . 2]" 1
552 1 38 ARG QG 1 42 LEU MD1 . . 3.570 2.984 2.597 3.513 . 0 0 "[ . 1 . 2]" 1
553 1 39 LEU H 1 39 LEU HB2 . . 3.090 2.305 2.219 2.410 . 0 0 "[ . 1 . 2]" 1
554 1 39 LEU H 1 39 LEU HB3 . . 3.710 3.552 3.515 3.582 . 0 0 "[ . 1 . 2]" 1
555 1 39 LEU H 1 39 LEU MD1 . . 4.390 3.666 3.529 3.928 . 0 0 "[ . 1 . 2]" 1
556 1 39 LEU H 1 39 LEU MD2 . . 3.530 1.939 1.765 2.139 . 0 0 "[ . 1 . 2]" 1
557 1 39 LEU H 1 39 LEU HG . . 4.070 3.865 3.689 4.042 . 0 0 "[ . 1 . 2]" 1
558 1 39 LEU H 1 40 LYS H . . 3.360 2.830 2.431 2.997 . 0 0 "[ . 1 . 2]" 1
559 1 39 LEU H 1 41 GLY H . . 4.860 4.507 4.246 4.742 . 0 0 "[ . 1 . 2]" 1
560 1 39 LEU HA 1 39 LEU MD1 . . 3.020 2.092 1.995 2.235 . 0 0 "[ . 1 . 2]" 1
561 1 39 LEU HA 1 39 LEU MD2 . . 3.180 2.557 2.291 2.761 . 0 0 "[ . 1 . 2]" 1
562 1 39 LEU HA 1 39 LEU HG . . 3.830 3.698 3.636 3.748 . 0 0 "[ . 1 . 2]" 1
563 1 39 LEU HA 1 42 LEU H . . 4.060 3.648 3.389 4.020 . 0 0 "[ . 1 . 2]" 1
564 1 39 LEU HA 1 42 LEU HB2 . . 3.700 2.770 2.559 2.984 . 0 0 "[ . 1 . 2]" 1
565 1 39 LEU HA 1 42 LEU HB3 . . 4.590 4.426 4.187 4.602 0.012 19 0 "[ . 1 . 2]" 1
566 1 39 LEU HA 1 42 LEU MD1 . . 3.650 2.981 2.672 3.578 . 0 0 "[ . 1 . 2]" 1
567 1 39 LEU HA 1 42 LEU HG . . 5.080 4.239 3.942 4.703 . 0 0 "[ . 1 . 2]" 1
568 1 39 LEU HA 1 43 SER H . . 3.810 3.746 3.652 3.815 0.005 20 0 "[ . 1 . 2]" 1
569 1 39 LEU HA 1 53 ILE MD . . 4.450 3.131 2.706 3.435 . 0 0 "[ . 1 . 2]" 1
570 1 39 LEU HA 1 53 ILE MG . . 3.990 3.566 2.978 3.921 . 0 0 "[ . 1 . 2]" 1
571 1 39 LEU HB2 1 39 LEU MD2 . . 3.320 2.341 2.167 2.504 . 0 0 "[ . 1 . 2]" 1
572 1 39 LEU HB2 1 40 LYS H . . 3.290 2.765 2.421 2.985 . 0 0 "[ . 1 . 2]" 1
573 1 39 LEU HB2 1 50 VAL MG1 . . 5.300 5.067 4.775 5.300 . 0 0 "[ . 1 . 2]" 1
574 1 39 LEU HB2 1 50 VAL MG2 . . 3.150 2.388 2.092 2.665 . 0 0 "[ . 1 . 2]" 1
575 1 39 LEU HB3 1 39 LEU MD1 . . 3.240 2.297 2.209 2.390 . 0 0 "[ . 1 . 2]" 1
576 1 39 LEU HB3 1 39 LEU MD2 . . 3.630 3.189 3.172 3.196 . 0 0 "[ . 1 . 2]" 1
577 1 39 LEU HB3 1 40 LYS H . . 3.790 3.404 3.188 3.696 . 0 0 "[ . 1 . 2]" 1
578 1 39 LEU HB3 1 50 VAL HA . . 4.870 2.458 2.177 2.777 . 0 0 "[ . 1 . 2]" 1
579 1 39 LEU HB3 1 50 VAL MG1 . . 4.460 4.374 4.082 4.462 0.002 19 0 "[ . 1 . 2]" 1
580 1 39 LEU HB3 1 50 VAL MG2 . . 3.450 2.030 1.934 2.160 . 0 0 "[ . 1 . 2]" 1
581 1 39 LEU MD1 1 43 SER H . . 5.500 4.236 3.950 4.469 . 0 0 "[ . 1 . 2]" 1
582 1 39 LEU MD1 1 43 SER QB . . 5.080 4.275 3.929 4.898 . 0 0 "[ . 1 . 2]" 1
583 1 39 LEU MD1 1 50 VAL HA . . 4.370 2.620 2.233 3.020 . 0 0 "[ . 1 . 2]" 1
584 1 39 LEU MD1 1 50 VAL HB . . 4.940 4.388 4.019 4.893 . 0 0 "[ . 1 . 2]" 1
585 1 39 LEU MD1 1 50 VAL MG2 . . 3.870 3.028 2.720 3.337 . 0 0 "[ . 1 . 2]" 1
586 1 39 LEU MD1 1 53 ILE H . . 4.970 3.899 3.614 4.102 . 0 0 "[ . 1 . 2]" 1
587 1 39 LEU MD1 1 53 ILE HA . . 4.690 4.222 4.070 4.461 . 0 0 "[ . 1 . 2]" 1
588 1 39 LEU MD1 1 53 ILE HB . . 3.660 1.931 1.821 2.129 . 0 0 "[ . 1 . 2]" 1
589 1 39 LEU MD1 1 53 ILE MG . . 2.920 1.925 1.807 2.294 . 0 0 "[ . 1 . 2]" 1
590 1 39 LEU MD1 1 54 GLN H . . 4.260 2.644 2.254 3.003 . 0 0 "[ . 1 . 2]" 1
591 1 39 LEU MD1 1 54 GLN HA . . 4.010 3.132 2.787 3.455 . 0 0 "[ . 1 . 2]" 1
592 1 39 LEU MD1 1 54 GLN HB2 . . 4.740 4.157 3.757 4.391 . 0 0 "[ . 1 . 2]" 1
593 1 39 LEU MD1 1 54 GLN HB3 . . 4.840 4.671 4.469 4.840 0.000 1 0 "[ . 1 . 2]" 1
594 1 39 LEU MD1 1 54 GLN HG2 . . 3.780 2.787 2.185 3.452 . 0 0 "[ . 1 . 2]" 1
595 1 39 LEU MD1 1 54 GLN HG3 . . 3.900 3.158 2.310 3.901 0.001 10 0 "[ . 1 . 2]" 1
596 1 39 LEU MD1 1 57 PHE QD . . 4.740 3.453 3.057 3.859 . 0 0 "[ . 1 . 2]" 1
597 1 39 LEU MD1 1 57 PHE QE . . 4.650 3.188 2.736 3.698 . 0 0 "[ . 1 . 2]" 1
598 1 39 LEU MD2 1 40 LYS H . . 4.280 4.055 3.921 4.190 . 0 0 "[ . 1 . 2]" 1
599 1 39 LEU MD2 1 50 VAL MG2 . . 3.590 3.458 3.281 3.593 0.003 19 0 "[ . 1 . 2]" 1
600 1 39 LEU MD2 1 54 GLN HE21 . . 4.710 3.322 2.172 4.339 . 0 0 "[ . 1 . 2]" 1
601 1 39 LEU MD2 1 54 GLN QE . . 3.950 3.121 2.157 3.760 . 0 0 "[ . 1 . 2]" 1
602 1 39 LEU MD2 1 54 GLN HE22 . . 4.710 4.118 2.993 4.714 0.004 11 0 "[ . 1 . 2]" 1
603 1 39 LEU MD2 1 54 GLN HG2 . . 3.890 3.222 2.494 3.579 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU MD2 1 54 GLN HG3 . . 4.680 3.924 3.211 4.653 . 0 0 "[ . 1 . 2]" 1
605 1 39 LEU HG 1 50 VAL MG1 . . 5.500 4.809 4.667 4.954 . 0 0 "[ . 1 . 2]" 1
606 1 39 LEU HG 1 50 VAL MG2 . . 4.730 2.255 1.975 2.475 . 0 0 "[ . 1 . 2]" 1
607 1 40 LYS H 1 40 LYS QB . . 2.840 2.389 2.228 2.568 . 0 0 "[ . 1 . 2]" 1
608 1 40 LYS H 1 40 LYS QD . . 4.300 3.862 3.252 4.300 0.000 16 0 "[ . 1 . 2]" 1
609 1 40 LYS H 1 40 LYS QG . . 3.490 2.364 2.092 2.703 . 0 0 "[ . 1 . 2]" 1
610 1 40 LYS H 1 41 GLY H . . 3.320 2.914 2.760 3.117 . 0 0 "[ . 1 . 2]" 1
611 1 40 LYS H 1 50 VAL MG2 . . 4.980 4.202 3.387 4.579 . 0 0 "[ . 1 . 2]" 1
612 1 40 LYS HA 1 40 LYS QD . . 4.370 3.149 2.072 4.388 0.018 15 0 "[ . 1 . 2]" 1
613 1 40 LYS HA 1 40 LYS HG2 . . 4.100 2.651 2.235 3.796 . 0 0 "[ . 1 . 2]" 1
614 1 40 LYS HA 1 40 LYS QG . . 3.420 2.520 2.178 3.333 . 0 0 "[ . 1 . 2]" 1
615 1 40 LYS HA 1 40 LYS HG3 . . 4.100 3.349 2.516 3.767 . 0 0 "[ . 1 . 2]" 1
616 1 40 LYS HA 1 43 SER H . . 4.170 4.036 3.893 4.167 . 0 0 "[ . 1 . 2]" 1
617 1 40 LYS HA 1 43 SER QB . . 3.410 2.881 2.585 3.067 . 0 0 "[ . 1 . 2]" 1
618 1 40 LYS HA 1 50 VAL MG2 . . 4.860 4.593 3.682 4.806 . 0 0 "[ . 1 . 2]" 1
619 1 40 LYS QB 1 40 LYS QD . . 3.350 2.260 2.070 2.597 . 0 0 "[ . 1 . 2]" 1
620 1 40 LYS QB 1 41 GLY H . . 3.330 2.566 2.280 3.358 0.028 15 0 "[ . 1 . 2]" 1
621 1 40 LYS QD 1 41 GLY H . . 5.500 4.853 4.121 5.145 . 0 0 "[ . 1 . 2]" 1
622 1 40 LYS QG 1 41 GLY H . . 5.130 4.067 1.880 4.368 . 0 0 "[ . 1 . 2]" 1
623 1 40 LYS QG 1 50 VAL MG2 . . 5.340 4.283 3.080 5.085 . 0 0 "[ . 1 . 2]" 1
624 1 41 GLY H 1 42 LEU H . . 3.310 2.902 2.739 3.091 . 0 0 "[ . 1 . 2]" 1
625 1 41 GLY H 1 43 SER H . . 4.880 4.027 3.823 4.280 . 0 0 "[ . 1 . 2]" 1
626 1 41 GLY HA2 1 44 LYS QB . . 4.180 3.618 3.316 3.866 . 0 0 "[ . 1 . 2]" 1
627 1 41 GLY HA2 1 45 GLN H . . 4.820 4.338 4.071 4.667 . 0 0 "[ . 1 . 2]" 1
628 1 41 GLY HA3 1 44 LYS QB . . 5.100 4.919 4.670 5.106 0.006 2 0 "[ . 1 . 2]" 1
629 1 42 LEU H 1 42 LEU HB2 . . 3.100 2.448 2.310 2.572 . 0 0 "[ . 1 . 2]" 1
630 1 42 LEU H 1 42 LEU HB3 . . 3.600 3.586 3.552 3.602 0.002 1 0 "[ . 1 . 2]" 1
631 1 42 LEU H 1 42 LEU MD1 . . 4.120 3.469 3.311 3.608 . 0 0 "[ . 1 . 2]" 1
632 1 42 LEU H 1 42 LEU MD2 . . 3.900 3.575 3.375 3.875 . 0 0 "[ . 1 . 2]" 1
633 1 42 LEU H 1 42 LEU HG . . 3.130 2.347 2.138 2.611 . 0 0 "[ . 1 . 2]" 1
634 1 42 LEU HA 1 42 LEU MD1 . . 4.260 3.873 3.841 3.897 . 0 0 "[ . 1 . 2]" 1
635 1 42 LEU HA 1 42 LEU MD2 . . 3.020 2.269 2.026 2.475 . 0 0 "[ . 1 . 2]" 1
636 1 42 LEU HA 1 42 LEU HG . . 3.820 2.862 2.708 2.980 . 0 0 "[ . 1 . 2]" 1
637 1 42 LEU HA 1 45 GLN H . . 3.360 3.150 2.915 3.335 . 0 0 "[ . 1 . 2]" 1
638 1 42 LEU HA 1 45 GLN HB2 . . 3.670 2.849 2.540 3.347 . 0 0 "[ . 1 . 2]" 1
639 1 42 LEU HA 1 45 GLN HB3 . . 3.300 2.150 2.049 2.302 . 0 0 "[ . 1 . 2]" 1
640 1 42 LEU HA 1 45 GLN QG . . 4.470 4.011 3.575 4.302 . 0 0 "[ . 1 . 2]" 1
641 1 42 LEU HA 1 46 LEU H . . 4.730 3.345 3.156 3.470 . 0 0 "[ . 1 . 2]" 1
642 1 42 LEU HA 1 46 LEU MD1 . . 4.660 3.914 3.630 4.219 . 0 0 "[ . 1 . 2]" 1
643 1 42 LEU HB2 1 42 LEU MD1 . . 3.350 2.221 2.063 2.344 . 0 0 "[ . 1 . 2]" 1
644 1 42 LEU HB2 1 43 SER H . . 3.390 2.656 2.493 2.851 . 0 0 "[ . 1 . 2]" 1
645 1 42 LEU HB2 1 43 SER QB . . 5.020 4.381 4.294 4.686 . 0 0 "[ . 1 . 2]" 1
646 1 42 LEU HB2 1 53 ILE MD . . 3.520 2.370 2.027 2.610 . 0 0 "[ . 1 . 2]" 1
647 1 42 LEU HB2 1 53 ILE MG . . 4.100 3.188 2.878 3.510 . 0 0 "[ . 1 . 2]" 1
648 1 42 LEU HB3 1 42 LEU MD1 . . 3.360 2.470 2.352 2.584 . 0 0 "[ . 1 . 2]" 1
649 1 42 LEU HB3 1 42 LEU MD2 . . 2.940 2.186 2.073 2.338 . 0 0 "[ . 1 . 2]" 1
650 1 42 LEU HB3 1 43 SER H . . 3.690 3.512 3.284 3.646 . 0 0 "[ . 1 . 2]" 1
651 1 42 LEU HB3 1 46 LEU MD1 . . 3.940 2.961 2.771 3.081 . 0 0 "[ . 1 . 2]" 1
652 1 42 LEU HB3 1 46 LEU MD2 . . 5.500 5.426 5.209 5.519 0.019 2 0 "[ . 1 . 2]" 1
653 1 42 LEU MD1 1 57 PHE QE . . 3.840 2.296 1.959 2.589 . 0 0 "[ . 1 . 2]" 1
654 1 42 LEU MD1 1 57 PHE HZ . . 4.000 2.693 2.351 3.102 . 0 0 "[ . 1 . 2]" 1
655 1 42 LEU MD2 1 45 GLN H . . 4.910 4.759 4.583 4.911 0.001 7 0 "[ . 1 . 2]" 1
656 1 42 LEU MD2 1 45 GLN HB2 . . 4.470 3.719 3.421 4.011 . 0 0 "[ . 1 . 2]" 1
657 1 42 LEU MD2 1 45 GLN HB3 . . 4.210 2.960 2.747 3.154 . 0 0 "[ . 1 . 2]" 1
658 1 42 LEU MD2 1 46 LEU H . . 4.120 4.012 3.804 4.118 . 0 0 "[ . 1 . 2]" 1
659 1 42 LEU MD2 1 46 LEU MD1 . . 3.160 2.162 1.981 2.393 . 0 0 "[ . 1 . 2]" 1
660 1 42 LEU MD2 1 46 LEU HG . . 4.300 3.340 3.197 3.605 . 0 0 "[ . 1 . 2]" 1
661 1 42 LEU MD2 1 53 ILE MD . . 3.960 3.904 3.429 3.967 0.007 20 0 "[ . 1 . 2]" 1
662 1 43 SER H 1 43 SER QB . . 2.770 2.266 2.214 2.335 . 0 0 "[ . 1 . 2]" 1
663 1 43 SER H 1 43 SER HG . . 4.450 4.237 3.113 4.380 . 0 0 "[ . 1 . 2]" 1
664 1 43 SER H 1 44 LYS H . . 3.320 2.907 2.755 3.074 . 0 0 "[ . 1 . 2]" 1
665 1 43 SER H 1 45 GLN H . . 4.410 4.308 4.144 4.399 . 0 0 "[ . 1 . 2]" 1
666 1 43 SER H 1 53 ILE MD . . 3.440 2.706 2.318 2.967 . 0 0 "[ . 1 . 2]" 1
667 1 43 SER HA 1 46 LEU H . . 4.600 4.453 4.288 4.574 . 0 0 "[ . 1 . 2]" 1
668 1 43 SER HA 1 46 LEU HB2 . . 4.900 4.700 4.437 4.881 . 0 0 "[ . 1 . 2]" 1
669 1 43 SER HA 1 47 ASP H . . 5.450 5.058 4.890 5.235 . 0 0 "[ . 1 . 2]" 1
670 1 43 SER HA 1 48 TRP H . . 3.510 2.855 2.679 2.985 . 0 0 "[ . 1 . 2]" 1
671 1 43 SER HA 1 53 ILE MD . . 3.170 1.993 1.904 2.128 . 0 0 "[ . 1 . 2]" 1
672 1 43 SER QB 1 44 LYS H . . 3.240 2.605 2.496 2.749 . 0 0 "[ . 1 . 2]" 1
673 1 43 SER QB 1 44 LYS QB . . 5.240 3.879 3.595 4.252 . 0 0 "[ . 1 . 2]" 1
674 1 43 SER QB 1 48 TRP H . . 4.900 4.619 4.305 4.780 . 0 0 "[ . 1 . 2]" 1
675 1 43 SER QB 1 50 VAL H . . 3.800 3.446 3.193 3.621 . 0 0 "[ . 1 . 2]" 1
676 1 43 SER QB 1 50 VAL HA . . 3.870 3.494 3.195 3.871 0.001 2 0 "[ . 1 . 2]" 1
677 1 43 SER QB 1 50 VAL MG2 . . 4.560 4.472 4.268 4.559 . 0 0 "[ . 1 . 2]" 1
678 1 43 SER QB 1 53 ILE MD . . 3.270 2.734 2.087 3.247 . 0 0 "[ . 1 . 2]" 1
679 1 43 SER HG 1 44 LYS H . . 4.650 4.153 3.519 4.667 0.017 2 0 "[ . 1 . 2]" 1
680 1 43 SER HG 1 48 TRP H . . 4.650 4.009 3.426 4.641 . 0 0 "[ . 1 . 2]" 1
681 1 43 SER HG 1 49 SER HA . . 4.670 2.908 2.066 3.804 . 0 0 "[ . 1 . 2]" 1
682 1 43 SER HG 1 50 VAL H . . 4.730 3.754 2.765 4.689 . 0 0 "[ . 1 . 2]" 1
683 1 44 LYS H 1 44 LYS QB . . 2.790 2.268 2.190 2.318 . 0 0 "[ . 1 . 2]" 1
684 1 44 LYS H 1 44 LYS QD . . 4.530 4.142 2.211 4.542 0.012 19 0 "[ . 1 . 2]" 1
685 1 44 LYS H 1 44 LYS HG2 . . 4.730 4.263 2.719 4.667 . 0 0 "[ . 1 . 2]" 1
686 1 44 LYS H 1 44 LYS QG . . 4.060 3.684 2.656 4.048 . 0 0 "[ . 1 . 2]" 1
687 1 44 LYS H 1 44 LYS HG3 . . 4.730 4.134 3.141 4.622 . 0 0 "[ . 1 . 2]" 1
688 1 44 LYS H 1 45 GLN H . . 3.190 2.406 2.327 2.500 . 0 0 "[ . 1 . 2]" 1
689 1 44 LYS H 1 46 LEU H . . 4.850 4.287 4.128 4.510 . 0 0 "[ . 1 . 2]" 1
690 1 44 LYS H 1 47 ASP H . . 5.280 4.747 4.622 4.953 . 0 0 "[ . 1 . 2]" 1
691 1 44 LYS H 1 53 ILE MD . . 4.780 4.500 4.262 4.709 . 0 0 "[ . 1 . 2]" 1
692 1 44 LYS HA 1 44 LYS QD . . 4.140 3.184 2.010 4.133 . 0 0 "[ . 1 . 2]" 1
693 1 44 LYS HA 1 44 LYS QG . . 3.570 2.449 2.172 2.853 . 0 0 "[ . 1 . 2]" 1
694 1 44 LYS HA 1 47 ASP H . . 4.220 3.366 3.251 3.554 . 0 0 "[ . 1 . 2]" 1
695 1 44 LYS QB 1 45 GLN H . . 3.130 2.501 2.383 2.714 . 0 0 "[ . 1 . 2]" 1
696 1 44 LYS QG 1 45 GLN H . . 4.860 3.973 3.305 4.433 . 0 0 "[ . 1 . 2]" 1
697 1 45 GLN H 1 45 GLN HB2 . . 3.120 2.397 2.278 2.583 . 0 0 "[ . 1 . 2]" 1
698 1 45 GLN H 1 45 GLN HB3 . . 3.330 2.679 2.485 2.831 . 0 0 "[ . 1 . 2]" 1
699 1 45 GLN H 1 45 GLN HG2 . . 4.820 4.550 4.424 4.622 . 0 0 "[ . 1 . 2]" 1
700 1 45 GLN H 1 45 GLN QG . . 4.220 3.959 3.917 4.036 . 0 0 "[ . 1 . 2]" 1
701 1 45 GLN H 1 45 GLN HG3 . . 4.820 4.356 4.241 4.504 . 0 0 "[ . 1 . 2]" 1
702 1 45 GLN H 1 46 LEU H . . 3.100 3.012 2.919 3.101 0.001 4 0 "[ . 1 . 2]" 1
703 1 45 GLN HA 1 45 GLN HG2 . . 4.000 3.224 2.675 3.875 . 0 0 "[ . 1 . 2]" 1
704 1 45 GLN HA 1 45 GLN QG . . 3.500 2.407 2.248 2.838 . 0 0 "[ . 1 . 2]" 1
705 1 45 GLN HA 1 45 GLN HG3 . . 4.000 2.510 2.296 2.918 . 0 0 "[ . 1 . 2]" 1
706 1 45 GLN HA 1 47 ASP H . . 4.850 3.962 3.839 4.039 . 0 0 "[ . 1 . 2]" 1
707 1 45 GLN HB2 1 46 LEU H . . 3.860 3.641 3.516 3.821 . 0 0 "[ . 1 . 2]" 1
708 1 45 GLN HB2 1 46 LEU HG . . 4.820 4.517 4.417 4.692 . 0 0 "[ . 1 . 2]" 1
709 1 45 GLN HB3 1 46 LEU H . . 3.470 2.241 2.138 2.424 . 0 0 "[ . 1 . 2]" 1
710 1 45 GLN HB3 1 46 LEU MD1 . . 4.080 3.713 3.595 3.942 . 0 0 "[ . 1 . 2]" 1
711 1 45 GLN HB3 1 46 LEU MD2 . . 4.840 4.399 4.223 4.622 . 0 0 "[ . 1 . 2]" 1
712 1 45 GLN HB3 1 46 LEU HG . . 4.550 2.924 2.754 3.143 . 0 0 "[ . 1 . 2]" 1
713 1 45 GLN QE 1 46 LEU MD1 . . 5.340 4.437 2.598 5.295 . 0 0 "[ . 1 . 2]" 1
714 1 45 GLN QG 1 46 LEU H . . 4.470 3.418 3.051 3.618 . 0 0 "[ . 1 . 2]" 1
715 1 45 GLN QG 1 46 LEU MD1 . . 4.820 3.830 3.459 4.379 . 0 0 "[ . 1 . 2]" 1
716 1 45 GLN QG 1 46 LEU MD2 . . 4.260 3.270 2.852 3.515 . 0 0 "[ . 1 . 2]" 1
717 1 45 GLN HG2 1 46 LEU H . . 5.150 3.609 3.341 4.128 . 0 0 "[ . 1 . 2]" 1
718 1 45 GLN HG2 1 46 LEU MD2 . . 4.920 3.398 3.108 4.211 . 0 0 "[ . 1 . 2]" 1
719 1 45 GLN HG3 1 46 LEU H . . 5.150 4.381 3.221 4.752 . 0 0 "[ . 1 . 2]" 1
720 1 45 GLN HG3 1 46 LEU MD2 . . 4.920 4.595 3.009 4.925 0.005 12 0 "[ . 1 . 2]" 1
721 1 46 LEU H 1 46 LEU HB2 . . 3.000 2.505 2.422 2.561 . 0 0 "[ . 1 . 2]" 1
722 1 46 LEU H 1 46 LEU HB3 . . 3.790 3.669 3.634 3.703 . 0 0 "[ . 1 . 2]" 1
723 1 46 LEU H 1 46 LEU MD1 . . 4.060 3.429 3.360 3.502 . 0 0 "[ . 1 . 2]" 1
724 1 46 LEU H 1 46 LEU MD2 . . 4.250 3.985 3.864 4.104 . 0 0 "[ . 1 . 2]" 1
725 1 46 LEU H 1 46 LEU HG . . 3.640 2.693 2.549 2.873 . 0 0 "[ . 1 . 2]" 1
726 1 46 LEU H 1 48 TRP H . . 4.450 3.539 3.431 3.669 . 0 0 "[ . 1 . 2]" 1
727 1 46 LEU H 1 53 ILE MD . . 4.750 4.372 3.823 4.591 . 0 0 "[ . 1 . 2]" 1
728 1 46 LEU HA 1 46 LEU MD1 . . 4.690 3.930 3.899 3.946 . 0 0 "[ . 1 . 2]" 1
729 1 46 LEU HA 1 46 LEU MD2 . . 2.950 2.485 2.397 2.557 . 0 0 "[ . 1 . 2]" 1
730 1 46 LEU HA 1 46 LEU HG . . 4.000 2.866 2.765 2.942 . 0 0 "[ . 1 . 2]" 1
731 1 46 LEU HA 1 48 TRP H . . 5.380 4.595 4.453 4.720 . 0 0 "[ . 1 . 2]" 1
732 1 46 LEU HB2 1 47 ASP H . . 4.750 3.991 3.932 4.053 . 0 0 "[ . 1 . 2]" 1
733 1 46 LEU HB2 1 48 TRP H . . 3.740 3.423 3.308 3.503 . 0 0 "[ . 1 . 2]" 1
734 1 46 LEU HB2 1 48 TRP HB2 . . 4.370 2.774 2.679 2.885 . 0 0 "[ . 1 . 2]" 1
735 1 46 LEU HB2 1 48 TRP HB3 . . 5.260 4.431 4.344 4.527 . 0 0 "[ . 1 . 2]" 1
736 1 46 LEU HB2 1 48 TRP HD1 . . 4.500 4.347 4.238 4.474 . 0 0 "[ . 1 . 2]" 1
737 1 46 LEU HB3 1 46 LEU MD2 . . 3.330 2.094 2.040 2.192 . 0 0 "[ . 1 . 2]" 1
738 1 46 LEU HB3 1 47 ASP H . . 5.160 4.433 4.403 4.454 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU HB3 1 48 TRP H . . 4.530 4.367 4.182 4.506 . 0 0 "[ . 1 . 2]" 1
740 1 46 LEU HB3 1 48 TRP HB2 . . 4.780 3.834 3.669 3.923 . 0 0 "[ . 1 . 2]" 1
741 1 46 LEU HB3 1 48 TRP HD1 . . 4.200 3.956 3.847 4.129 . 0 0 "[ . 1 . 2]" 1
742 1 46 LEU MD1 1 48 TRP H . . 4.860 4.840 4.764 4.864 0.004 2 0 "[ . 1 . 2]" 1
743 1 46 LEU MD1 1 48 TRP HB2 . . 4.880 3.705 3.622 3.790 . 0 0 "[ . 1 . 2]" 1
744 1 46 LEU MD1 1 48 TRP HE3 . . 4.720 4.141 3.923 4.259 . 0 0 "[ . 1 . 2]" 1
745 1 46 LEU MD1 1 53 ILE MD . . 3.830 3.641 3.285 3.824 . 0 0 "[ . 1 . 2]" 1
746 1 46 LEU MD1 1 53 ILE MG . . 4.790 3.604 3.480 3.916 . 0 0 "[ . 1 . 2]" 1
747 1 47 ASP H 1 48 TRP H . . 3.110 2.994 2.917 3.070 . 0 0 "[ . 1 . 2]" 1
748 1 47 ASP HA 1 48 TRP H . . 3.060 2.775 2.705 2.841 . 0 0 "[ . 1 . 2]" 1
749 1 47 ASP HA 1 48 TRP HA . . 5.230 4.498 4.476 4.521 . 0 0 "[ . 1 . 2]" 1
750 1 48 TRP H 1 48 TRP HB2 . . 3.320 2.337 2.304 2.363 . 0 0 "[ . 1 . 2]" 1
751 1 48 TRP H 1 48 TRP HB3 . . 3.690 3.543 3.525 3.555 . 0 0 "[ . 1 . 2]" 1
752 1 48 TRP H 1 49 SER H . . 5.000 4.441 4.427 4.471 . 0 0 "[ . 1 . 2]" 1
753 1 48 TRP H 1 53 ILE MD . . 4.610 3.691 3.494 3.977 . 0 0 "[ . 1 . 2]" 1
754 1 48 TRP HA 1 48 TRP HD1 . . 3.400 2.269 2.179 2.315 . 0 0 "[ . 1 . 2]" 1
755 1 48 TRP HA 1 49 SER H . . 3.190 2.626 2.578 2.656 . 0 0 "[ . 1 . 2]" 1
756 1 48 TRP HA 1 49 SER HA . . 5.500 4.404 4.380 4.429 . 0 0 "[ . 1 . 2]" 1
757 1 48 TRP HA 1 52 LYS QD . . 4.660 3.288 2.944 3.657 . 0 0 "[ . 1 . 2]" 1
758 1 48 TRP HB2 1 48 TRP HE3 . . 3.870 3.273 3.202 3.316 . 0 0 "[ . 1 . 2]" 1
759 1 48 TRP HB2 1 49 SER H . . 4.710 3.519 3.467 3.590 . 0 0 "[ . 1 . 2]" 1
760 1 48 TRP HB2 1 52 LYS HB3 . . 4.670 4.580 4.319 4.674 0.004 12 0 "[ . 1 . 2]" 1
761 1 48 TRP HB2 1 52 LYS QD . . 4.730 4.469 4.176 4.734 0.004 16 0 "[ . 1 . 2]" 1
762 1 48 TRP HB2 1 53 ILE H . . 5.120 4.854 4.616 5.039 . 0 0 "[ . 1 . 2]" 1
763 1 48 TRP HB2 1 53 ILE MD . . 3.700 2.705 2.452 3.059 . 0 0 "[ . 1 . 2]" 1
764 1 48 TRP HB2 1 53 ILE HG12 . . 4.500 2.781 2.547 3.042 . 0 0 "[ . 1 . 2]" 1
765 1 48 TRP HB2 1 53 ILE HG13 . . 4.110 3.063 2.831 3.296 . 0 0 "[ . 1 . 2]" 1
766 1 48 TRP HB3 1 48 TRP HE3 . . 3.610 2.654 2.622 2.711 . 0 0 "[ . 1 . 2]" 1
767 1 48 TRP HB3 1 49 SER H . . 4.070 2.009 1.951 2.104 . 0 0 "[ . 1 . 2]" 1
768 1 48 TRP HB3 1 52 LYS HB2 . . 4.700 4.413 4.143 4.570 . 0 0 "[ . 1 . 2]" 1
769 1 48 TRP HB3 1 52 LYS HB3 . . 4.110 2.832 2.578 2.929 . 0 0 "[ . 1 . 2]" 1
770 1 48 TRP HB3 1 52 LYS QD . . 4.080 3.253 2.972 3.545 . 0 0 "[ . 1 . 2]" 1
771 1 48 TRP HB3 1 52 LYS QG . . 4.620 4.006 3.192 4.307 . 0 0 "[ . 1 . 2]" 1
772 1 48 TRP HB3 1 53 ILE H . . 4.550 3.439 3.254 3.643 . 0 0 "[ . 1 . 2]" 1
773 1 48 TRP HB3 1 53 ILE MD . . 4.180 2.923 2.636 3.273 . 0 0 "[ . 1 . 2]" 1
774 1 48 TRP HB3 1 53 ILE HG12 . . 4.550 2.766 2.412 3.072 . 0 0 "[ . 1 . 2]" 1
775 1 48 TRP HB3 1 53 ILE HG13 . . 4.120 2.120 1.999 2.406 . 0 0 "[ . 1 . 2]" 1
776 1 48 TRP HB3 1 53 ILE MG . . 5.500 4.540 4.327 4.735 . 0 0 "[ . 1 . 2]" 1
777 1 48 TRP HE3 1 52 LYS HB3 . . 4.290 3.508 3.182 3.822 . 0 0 "[ . 1 . 2]" 1
778 1 48 TRP HE3 1 52 LYS QE . . 5.340 4.597 4.081 5.331 . 0 0 "[ . 1 . 2]" 1
779 1 48 TRP HE3 1 52 LYS QG . . 3.710 3.327 2.740 3.709 . 0 0 "[ . 1 . 2]" 1
780 1 48 TRP HE3 1 53 ILE H . . 4.470 3.368 3.150 3.631 . 0 0 "[ . 1 . 2]" 1
781 1 48 TRP HE3 1 53 ILE HA . . 3.620 2.100 1.994 2.323 . 0 0 "[ . 1 . 2]" 1
782 1 48 TRP HE3 1 53 ILE MD . . 4.120 3.686 3.552 3.936 . 0 0 "[ . 1 . 2]" 1
783 1 48 TRP HE3 1 53 ILE HG12 . . 3.390 2.096 1.996 2.352 . 0 0 "[ . 1 . 2]" 1
784 1 48 TRP HE3 1 53 ILE HG13 . . 3.520 2.547 2.190 3.003 . 0 0 "[ . 1 . 2]" 1
785 1 48 TRP HE3 1 53 ILE MG . . 4.110 3.284 2.928 3.507 . 0 0 "[ . 1 . 2]" 1
786 1 48 TRP HE3 1 56 TRP HB2 . . 5.500 4.201 4.090 4.365 . 0 0 "[ . 1 . 2]" 1
787 1 48 TRP HH2 1 52 LYS QE . . 5.340 3.986 3.571 4.922 . 0 0 "[ . 1 . 2]" 1
788 1 48 TRP HH2 1 56 TRP HB2 . . 5.500 3.589 3.105 3.854 . 0 0 "[ . 1 . 2]" 1
789 1 48 TRP HH2 1 56 TRP HD1 . . 3.630 2.721 2.238 3.177 . 0 0 "[ . 1 . 2]" 1
790 1 48 TRP HH2 1 56 TRP HE1 . . 5.000 4.640 4.044 4.949 . 0 0 "[ . 1 . 2]" 1
791 1 48 TRP HZ2 1 52 LYS QE . . 4.600 3.446 3.010 4.590 . 0 0 "[ . 1 . 2]" 1
792 1 48 TRP HZ3 1 52 LYS QG . . 4.280 3.601 3.115 4.017 . 0 0 "[ . 1 . 2]" 1
793 1 48 TRP HZ3 1 53 ILE HA . . 4.040 2.671 2.511 2.787 . 0 0 "[ . 1 . 2]" 1
794 1 48 TRP HZ3 1 56 TRP H . . 4.760 3.851 3.674 4.037 . 0 0 "[ . 1 . 2]" 1
795 1 48 TRP HZ3 1 56 TRP HB2 . . 3.710 2.105 1.999 2.333 . 0 0 "[ . 1 . 2]" 1
796 1 48 TRP HZ3 1 56 TRP HB3 . . 4.390 3.206 2.706 3.541 . 0 0 "[ . 1 . 2]" 1
797 1 48 TRP HZ3 1 56 TRP HD1 . . 3.640 3.237 3.002 3.476 . 0 0 "[ . 1 . 2]" 1
798 1 49 SER H 1 49 SER HB2 . . 4.070 2.618 2.349 3.754 . 0 0 "[ . 1 . 2]" 1
799 1 49 SER H 1 49 SER QB . . 3.330 2.477 2.319 2.921 . 0 0 "[ . 1 . 2]" 1
800 1 49 SER H 1 49 SER HB3 . . 4.070 3.423 2.662 3.752 . 0 0 "[ . 1 . 2]" 1
801 1 49 SER H 1 52 LYS H . . 4.700 3.720 3.417 3.870 . 0 0 "[ . 1 . 2]" 1
802 1 49 SER H 1 52 LYS HB2 . . 4.500 3.119 2.837 3.319 . 0 0 "[ . 1 . 2]" 1
803 1 49 SER H 1 52 LYS HB3 . . 4.200 2.148 1.948 2.414 . 0 0 "[ . 1 . 2]" 1
804 1 49 SER H 1 52 LYS HD2 . . 5.050 3.726 3.179 4.157 . 0 0 "[ . 1 . 2]" 1
805 1 49 SER H 1 52 LYS QD . . 4.310 2.950 2.652 3.366 . 0 0 "[ . 1 . 2]" 1
806 1 49 SER H 1 52 LYS HD3 . . 5.050 3.128 2.705 3.623 . 0 0 "[ . 1 . 2]" 1
807 1 49 SER HA 1 50 VAL H . . 2.800 2.225 2.165 2.307 . 0 0 "[ . 1 . 2]" 1
808 1 49 SER HA 1 50 VAL HB . . 4.870 4.667 4.568 4.768 . 0 0 "[ . 1 . 2]" 1
809 1 49 SER HA 1 50 VAL MG1 . . 4.710 3.919 3.797 4.097 . 0 0 "[ . 1 . 2]" 1
810 1 49 SER HA 1 51 ARG H . . 5.040 4.036 3.856 4.190 . 0 0 "[ . 1 . 2]" 1
811 1 49 SER QB 1 50 VAL H . . 4.220 3.041 2.695 3.543 . 0 0 "[ . 1 . 2]" 1
812 1 49 SER QB 1 50 VAL MG1 . . 4.850 3.417 3.063 4.130 . 0 0 "[ . 1 . 2]" 1
813 1 49 SER QB 1 51 ARG H . . 3.460 2.697 2.386 3.090 . 0 0 "[ . 1 . 2]" 1
814 1 49 SER QB 1 52 LYS H . . 4.300 2.308 2.009 3.343 . 0 0 "[ . 1 . 2]" 1
815 1 50 VAL H 1 50 VAL HB . . 3.070 2.531 2.421 2.638 . 0 0 "[ . 1 . 2]" 1
816 1 50 VAL H 1 50 VAL MG1 . . 3.130 2.224 2.031 2.379 . 0 0 "[ . 1 . 2]" 1
817 1 50 VAL H 1 50 VAL MG2 . . 4.000 3.767 3.745 3.776 . 0 0 "[ . 1 . 2]" 1
818 1 50 VAL H 1 51 ARG H . . 3.610 2.870 2.732 2.991 . 0 0 "[ . 1 . 2]" 1
819 1 50 VAL H 1 52 LYS H . . 5.120 4.529 4.167 4.822 . 0 0 "[ . 1 . 2]" 1
820 1 50 VAL HA 1 50 VAL MG1 . . 3.210 3.194 3.180 3.204 . 0 0 "[ . 1 . 2]" 1
821 1 50 VAL HA 1 50 VAL MG2 . . 3.320 2.410 2.303 2.487 . 0 0 "[ . 1 . 2]" 1
822 1 50 VAL HA 1 52 LYS H . . 5.100 4.913 4.499 5.099 . 0 0 "[ . 1 . 2]" 1
823 1 50 VAL HA 1 53 ILE H . . 4.090 4.031 3.884 4.092 0.002 19 0 "[ . 1 . 2]" 1
824 1 50 VAL HA 1 53 ILE HB . . 3.540 3.293 3.048 3.428 . 0 0 "[ . 1 . 2]" 1
825 1 50 VAL HA 1 53 ILE MD . . 3.700 2.685 2.324 3.057 . 0 0 "[ . 1 . 2]" 1
826 1 50 VAL HA 1 53 ILE HG13 . . 4.610 4.046 3.528 4.289 . 0 0 "[ . 1 . 2]" 1
827 1 50 VAL HA 1 53 ILE MG . . 4.680 4.473 4.239 4.593 . 0 0 "[ . 1 . 2]" 1
828 1 50 VAL HA 1 54 GLN H . . 4.660 4.234 4.081 4.473 . 0 0 "[ . 1 . 2]" 1
829 1 50 VAL HB 1 51 ARG H . . 4.090 4.008 3.882 4.092 0.002 20 0 "[ . 1 . 2]" 1
830 1 50 VAL MG1 1 51 ARG H . . 4.180 1.969 1.887 2.186 . 0 0 "[ . 1 . 2]" 1
831 1 50 VAL MG1 1 51 ARG QB . . 4.320 3.170 2.679 3.582 . 0 0 "[ . 1 . 2]" 1
832 1 50 VAL MG1 1 51 ARG QG . . 3.940 2.778 2.038 3.935 . 0 0 "[ . 1 . 2]" 1
833 1 50 VAL MG1 1 52 LYS H . . 4.900 4.225 4.080 4.408 . 0 0 "[ . 1 . 2]" 1
834 1 50 VAL MG2 1 51 ARG H . . 4.170 3.598 3.429 3.771 . 0 0 "[ . 1 . 2]" 1
835 1 50 VAL MG2 1 51 ARG HA . . 4.090 3.562 3.327 3.833 . 0 0 "[ . 1 . 2]" 1
836 1 50 VAL MG2 1 51 ARG QG . . 5.340 4.106 3.434 5.037 . 0 0 "[ . 1 . 2]" 1
837 1 50 VAL MG2 1 54 GLN H . . 4.560 4.299 4.073 4.545 . 0 0 "[ . 1 . 2]" 1
838 1 50 VAL MG2 1 54 GLN HB2 . . 4.880 4.565 4.228 4.799 . 0 0 "[ . 1 . 2]" 1
839 1 50 VAL MG2 1 54 GLN HE21 . . 4.970 3.339 2.664 4.035 . 0 0 "[ . 1 . 2]" 1
840 1 50 VAL MG2 1 54 GLN QE . . 4.280 3.193 2.571 3.801 . 0 0 "[ . 1 . 2]" 1
841 1 50 VAL MG2 1 54 GLN HE22 . . 4.970 4.241 3.004 4.895 . 0 0 "[ . 1 . 2]" 1
842 1 50 VAL MG2 1 54 GLN HG2 . . 4.480 3.812 2.952 4.452 . 0 0 "[ . 1 . 2]" 1
843 1 50 VAL MG2 1 54 GLN HG3 . . 3.680 3.097 2.744 3.289 . 0 0 "[ . 1 . 2]" 1
844 1 51 ARG H 1 51 ARG HB2 . . 3.800 2.617 2.181 3.620 . 0 0 "[ . 1 . 2]" 1
845 1 51 ARG H 1 51 ARG QB . . 3.090 2.360 2.160 2.853 . 0 0 "[ . 1 . 2]" 1
846 1 51 ARG H 1 51 ARG HB3 . . 3.800 3.281 2.653 3.608 . 0 0 "[ . 1 . 2]" 1
847 1 51 ARG H 1 51 ARG QG . . 4.060 2.719 1.939 3.866 . 0 0 "[ . 1 . 2]" 1
848 1 51 ARG H 1 52 LYS H . . 3.750 2.555 2.294 2.720 . 0 0 "[ . 1 . 2]" 1
849 1 51 ARG HA 1 51 ARG QD . . 4.500 3.596 2.269 4.484 . 0 0 "[ . 1 . 2]" 1
850 1 51 ARG HA 1 51 ARG HG2 . . 4.160 2.948 2.245 3.803 . 0 0 "[ . 1 . 2]" 1
851 1 51 ARG HA 1 51 ARG QG . . 3.540 2.625 2.173 3.344 . 0 0 "[ . 1 . 2]" 1
852 1 51 ARG HA 1 51 ARG HG3 . . 4.160 3.219 2.195 3.834 . 0 0 "[ . 1 . 2]" 1
853 1 51 ARG HA 1 53 ILE H . . 4.840 4.509 4.265 4.740 . 0 0 "[ . 1 . 2]" 1
854 1 51 ARG HA 1 54 GLN H . . 4.280 3.655 3.464 3.861 . 0 0 "[ . 1 . 2]" 1
855 1 51 ARG HA 1 54 GLN HB2 . . 3.650 2.783 2.610 2.947 . 0 0 "[ . 1 . 2]" 1
856 1 51 ARG HA 1 54 GLN HB3 . . 4.640 4.339 4.151 4.501 . 0 0 "[ . 1 . 2]" 1
857 1 51 ARG HA 1 54 GLN HG2 . . 5.030 4.459 3.807 5.036 0.006 20 0 "[ . 1 . 2]" 1
858 1 51 ARG HA 1 54 GLN HG3 . . 4.120 3.280 2.842 3.888 . 0 0 "[ . 1 . 2]" 1
859 1 51 ARG HA 1 55 CYS H . . 5.050 4.506 4.303 4.682 . 0 0 "[ . 1 . 2]" 1
860 1 51 ARG QB 1 52 LYS H . . 3.480 2.608 2.172 3.438 . 0 0 "[ . 1 . 2]" 1
861 1 51 ARG HB2 1 52 LYS H . . 4.190 2.853 2.203 3.747 . 0 0 "[ . 1 . 2]" 1
862 1 51 ARG HB3 1 52 LYS H . . 4.190 3.276 2.232 4.093 . 0 0 "[ . 1 . 2]" 1
863 1 51 ARG QD 1 52 LYS H . . 4.940 4.436 3.748 4.942 0.002 8 0 "[ . 1 . 2]" 1
864 1 52 LYS H 1 52 LYS HB2 . . 3.050 2.353 2.264 2.519 . 0 0 "[ . 1 . 2]" 1
865 1 52 LYS H 1 52 LYS HB3 . . 3.220 2.717 2.522 2.827 . 0 0 "[ . 1 . 2]" 1
866 1 52 LYS H 1 52 LYS QD . . 5.040 4.360 4.300 4.408 . 0 0 "[ . 1 . 2]" 1
867 1 52 LYS H 1 52 LYS HG2 . . 5.040 4.530 4.492 4.572 . 0 0 "[ . 1 . 2]" 1
868 1 52 LYS H 1 52 LYS QG . . 4.160 3.931 3.883 3.973 . 0 0 "[ . 1 . 2]" 1
869 1 52 LYS H 1 52 LYS HG3 . . 5.040 4.316 4.222 4.422 . 0 0 "[ . 1 . 2]" 1
870 1 52 LYS H 1 53 ILE HG13 . . 4.670 4.416 4.052 4.569 . 0 0 "[ . 1 . 2]" 1
871 1 52 LYS H 1 54 GLN H . . 4.840 4.511 4.258 4.694 . 0 0 "[ . 1 . 2]" 1
872 1 52 LYS HA 1 52 LYS QD . . 5.000 3.969 3.763 4.060 . 0 0 "[ . 1 . 2]" 1
873 1 52 LYS HA 1 52 LYS HG2 . . 4.120 3.019 2.731 3.449 . 0 0 "[ . 1 . 2]" 1
874 1 52 LYS HA 1 52 LYS QG . . 3.350 2.375 2.305 2.450 . 0 0 "[ . 1 . 2]" 1
875 1 52 LYS HA 1 52 LYS HG3 . . 4.120 2.496 2.394 2.634 . 0 0 "[ . 1 . 2]" 1
876 1 52 LYS HA 1 55 CYS H . . 4.400 3.837 3.334 4.013 . 0 0 "[ . 1 . 2]" 1
877 1 52 LYS HA 1 55 CYS HB2 . . 3.770 3.502 2.537 3.745 . 0 0 "[ . 1 . 2]" 1
878 1 52 LYS HA 1 55 CYS HB3 . . 4.110 3.814 3.424 4.107 . 0 0 "[ . 1 . 2]" 1
879 1 52 LYS HB2 1 52 LYS QD . . 3.590 2.355 2.070 2.495 . 0 0 "[ . 1 . 2]" 1
880 1 52 LYS HB2 1 53 ILE H . . 4.140 3.705 3.609 3.833 . 0 0 "[ . 1 . 2]" 1
881 1 52 LYS HB3 1 53 ILE H . . 3.700 2.453 2.314 2.662 . 0 0 "[ . 1 . 2]" 1
882 1 52 LYS QG 1 53 ILE HA . . 4.700 3.878 3.539 4.132 . 0 0 "[ . 1 . 2]" 1
883 1 53 ILE H 1 53 ILE HB . . 3.140 2.583 2.504 2.658 . 0 0 "[ . 1 . 2]" 1
884 1 53 ILE H 1 53 ILE MD . . 3.950 3.354 3.227 3.558 . 0 0 "[ . 1 . 2]" 1
885 1 53 ILE H 1 53 ILE HG12 . . 3.780 3.415 3.071 3.555 . 0 0 "[ . 1 . 2]" 1
886 1 53 ILE H 1 53 ILE HG13 . . 3.150 2.001 1.899 2.145 . 0 0 "[ . 1 . 2]" 1
887 1 53 ILE H 1 53 ILE MG . . 4.100 3.764 3.759 3.766 . 0 0 "[ . 1 . 2]" 1
888 1 53 ILE H 1 54 GLN H . . 3.380 2.850 2.726 2.989 . 0 0 "[ . 1 . 2]" 1
889 1 53 ILE H 1 54 GLN HB2 . . 4.960 4.693 4.522 4.826 . 0 0 "[ . 1 . 2]" 1
890 1 53 ILE HA 1 53 ILE MD . . 4.340 3.877 3.822 3.915 . 0 0 "[ . 1 . 2]" 1
891 1 53 ILE HA 1 53 ILE HG12 . . 3.550 2.673 2.518 2.745 . 0 0 "[ . 1 . 2]" 1
892 1 53 ILE HA 1 53 ILE HG13 . . 3.800 2.887 2.779 3.134 . 0 0 "[ . 1 . 2]" 1
893 1 53 ILE HA 1 53 ILE MG . . 3.290 2.405 2.274 2.462 . 0 0 "[ . 1 . 2]" 1
894 1 53 ILE HA 1 56 TRP H . . 3.750 3.369 3.206 3.568 . 0 0 "[ . 1 . 2]" 1
895 1 53 ILE HA 1 56 TRP HB2 . . 4.090 3.292 3.124 3.531 . 0 0 "[ . 1 . 2]" 1
896 1 53 ILE HA 1 57 PHE QD . . 4.870 4.499 4.164 4.826 . 0 0 "[ . 1 . 2]" 1
897 1 53 ILE HB 1 53 ILE MD . . 3.360 2.276 2.148 2.465 . 0 0 "[ . 1 . 2]" 1
898 1 53 ILE HB 1 54 GLN H . . 3.180 2.307 2.163 2.603 . 0 0 "[ . 1 . 2]" 1
899 1 53 ILE HB 1 56 TRP H . . 5.500 5.387 5.227 5.462 . 0 0 "[ . 1 . 2]" 1
900 1 53 ILE MD 1 53 ILE MG . . 2.990 2.209 1.922 2.430 . 0 0 "[ . 1 . 2]" 1
901 1 53 ILE MG 1 54 GLN H . . 4.250 3.239 3.089 3.545 . 0 0 "[ . 1 . 2]" 1
902 1 53 ILE MG 1 54 GLN HA . . 4.520 3.428 3.273 3.561 . 0 0 "[ . 1 . 2]" 1
903 1 53 ILE MG 1 56 TRP H . . 4.810 4.141 3.960 4.404 . 0 0 "[ . 1 . 2]" 1
904 1 53 ILE MG 1 56 TRP HB3 . . 4.970 3.178 2.891 3.660 . 0 0 "[ . 1 . 2]" 1
905 1 53 ILE MG 1 57 PHE H . . 4.820 3.669 3.271 4.130 . 0 0 "[ . 1 . 2]" 1
906 1 53 ILE MG 1 57 PHE QB . . 5.340 4.046 3.729 4.321 . 0 0 "[ . 1 . 2]" 1
907 1 53 ILE MG 1 57 PHE QD . . 3.320 2.219 1.990 2.488 . 0 0 "[ . 1 . 2]" 1
908 1 53 ILE MG 1 57 PHE QE . . 3.330 2.272 2.031 2.621 . 0 0 "[ . 1 . 2]" 1
909 1 54 GLN H 1 54 GLN HB2 . . 3.300 2.407 2.275 2.507 . 0 0 "[ . 1 . 2]" 1
910 1 54 GLN H 1 54 GLN HB3 . . 4.040 3.592 3.543 3.614 . 0 0 "[ . 1 . 2]" 1
911 1 54 GLN H 1 54 GLN HG2 . . 3.790 3.026 2.310 3.696 . 0 0 "[ . 1 . 2]" 1
912 1 54 GLN H 1 54 GLN HG3 . . 3.500 2.953 2.288 3.499 . 0 0 "[ . 1 . 2]" 1
913 1 54 GLN H 1 55 CYS H . . 3.370 2.992 2.609 3.150 . 0 0 "[ . 1 . 2]" 1
914 1 54 GLN H 1 56 TRP H . . 5.050 4.374 4.012 4.548 . 0 0 "[ . 1 . 2]" 1
915 1 54 GLN HA 1 54 GLN HG2 . . 3.680 2.433 2.184 2.630 . 0 0 "[ . 1 . 2]" 1
916 1 54 GLN HA 1 54 GLN HG3 . . 4.190 3.301 2.719 3.704 . 0 0 "[ . 1 . 2]" 1
917 1 54 GLN HA 1 57 PHE H . . 4.130 3.537 3.210 3.713 . 0 0 "[ . 1 . 2]" 1
918 1 54 GLN HA 1 57 PHE HB2 . . 4.540 2.856 2.693 2.952 . 0 0 "[ . 1 . 2]" 1
919 1 54 GLN HA 1 57 PHE QB . . 3.780 2.825 2.666 2.916 . 0 0 "[ . 1 . 2]" 1
920 1 54 GLN HA 1 57 PHE HB3 . . 4.540 4.457 4.286 4.559 0.019 15 0 "[ . 1 . 2]" 1
921 1 54 GLN HA 1 57 PHE QD . . 4.540 2.970 2.682 3.369 . 0 0 "[ . 1 . 2]" 1
922 1 54 GLN HA 1 58 ARG H . . 4.680 4.328 4.033 4.561 . 0 0 "[ . 1 . 2]" 1
923 1 54 GLN HB2 1 55 CYS H . . 3.590 2.617 2.494 2.843 . 0 0 "[ . 1 . 2]" 1
924 1 54 GLN HB3 1 55 CYS H . . 3.780 3.303 3.037 3.541 . 0 0 "[ . 1 . 2]" 1
925 1 54 GLN HB3 1 56 TRP H . . 5.500 5.374 4.908 5.502 0.002 19 0 "[ . 1 . 2]" 1
926 1 54 GLN QE 1 54 GLN HG2 . . 3.440 2.586 2.231 3.075 . 0 0 "[ . 1 . 2]" 1
927 1 54 GLN HG2 1 55 CYS H . . 5.060 4.791 4.531 5.039 . 0 0 "[ . 1 . 2]" 1
928 1 55 CYS H 1 55 CYS HB2 . . 3.150 2.286 2.172 2.423 . 0 0 "[ . 1 . 2]" 1
929 1 55 CYS H 1 55 CYS HB3 . . 3.430 2.833 2.639 3.482 0.052 20 0 "[ . 1 . 2]" 1
930 1 55 CYS H 1 56 TRP H . . 3.470 2.799 2.556 2.943 . 0 0 "[ . 1 . 2]" 1
931 1 55 CYS H 1 58 ARG QB . . 5.450 5.042 4.590 5.385 . 0 0 "[ . 1 . 2]" 1
932 1 55 CYS HA 1 58 ARG H . . 3.870 3.633 3.462 3.802 . 0 0 "[ . 1 . 2]" 1
933 1 55 CYS HA 1 58 ARG QB . . 3.470 2.837 2.446 3.501 0.031 5 0 "[ . 1 . 2]" 1
934 1 55 CYS HA 1 58 ARG QD . . 4.420 3.430 1.912 4.413 . 0 0 "[ . 1 . 2]" 1
935 1 55 CYS HA 1 58 ARG QG . . 4.500 3.779 2.045 4.498 . 0 0 "[ . 1 . 2]" 1
936 1 55 CYS HA 1 59 HIS H . . 5.010 4.276 3.936 4.643 . 0 0 "[ . 1 . 2]" 1
937 1 55 CYS HB2 1 56 TRP H . . 3.860 3.668 3.116 3.866 0.006 5 0 "[ . 1 . 2]" 1
938 1 55 CYS HB3 1 56 TRP H . . 3.890 2.622 2.411 3.573 . 0 0 "[ . 1 . 2]" 1
939 1 55 CYS HB3 1 56 TRP HA . . 4.780 4.031 3.932 4.157 . 0 0 "[ . 1 . 2]" 1
940 1 56 TRP H 1 56 TRP HB2 . . 3.190 2.460 2.336 2.590 . 0 0 "[ . 1 . 2]" 1
941 1 56 TRP H 1 56 TRP HB3 . . 3.250 2.614 2.536 2.741 . 0 0 "[ . 1 . 2]" 1
942 1 56 TRP H 1 56 TRP HD1 . . 5.140 4.895 4.681 5.044 . 0 0 "[ . 1 . 2]" 1
943 1 56 TRP H 1 57 PHE H . . 3.610 2.796 2.416 2.970 . 0 0 "[ . 1 . 2]" 1
944 1 56 TRP HA 1 56 TRP HD1 . . 4.100 3.411 3.245 3.503 . 0 0 "[ . 1 . 2]" 1
945 1 56 TRP HA 1 59 HIS H . . 4.050 3.586 3.363 3.837 . 0 0 "[ . 1 . 2]" 1
946 1 56 TRP HA 1 59 HIS HB2 . . 4.150 3.364 2.850 3.704 . 0 0 "[ . 1 . 2]" 1
947 1 56 TRP HA 1 59 HIS HB3 . . 3.890 3.227 2.840 3.621 . 0 0 "[ . 1 . 2]" 1
948 1 56 TRP HA 1 60 ARG H . . 4.860 4.251 3.837 4.601 . 0 0 "[ . 1 . 2]" 1
949 1 56 TRP HB2 1 56 TRP HD1 . . 3.610 2.606 2.587 2.649 . 0 0 "[ . 1 . 2]" 1
950 1 56 TRP HB2 1 57 PHE H . . 4.030 3.743 3.571 3.976 . 0 0 "[ . 1 . 2]" 1
951 1 56 TRP HB3 1 57 PHE H . . 3.330 2.408 2.229 2.876 . 0 0 "[ . 1 . 2]" 1
952 1 56 TRP HB3 1 57 PHE QD . . 4.640 3.493 3.125 3.778 . 0 0 "[ . 1 . 2]" 1
953 1 56 TRP HE3 1 57 PHE H . . 4.090 2.733 2.490 3.324 . 0 0 "[ . 1 . 2]" 1
954 1 56 TRP HE3 1 57 PHE HA . . 3.460 2.093 1.994 2.446 . 0 0 "[ . 1 . 2]" 1
955 1 56 TRP HE3 1 57 PHE QD . . 4.400 3.271 2.959 3.473 . 0 0 "[ . 1 . 2]" 1
956 1 56 TRP HH2 1 60 ARG HD2 . . 5.050 3.814 2.727 4.600 . 0 0 "[ . 1 . 2]" 1
957 1 56 TRP HH2 1 60 ARG QD . . 4.350 2.464 1.998 4.031 . 0 0 "[ . 1 . 2]" 1
958 1 56 TRP HH2 1 60 ARG HD3 . . 5.050 2.546 2.011 4.540 . 0 0 "[ . 1 . 2]" 1
959 1 56 TRP HH2 1 60 ARG QG . . 3.810 3.354 2.653 3.808 . 0 0 "[ . 1 . 2]" 1
960 1 56 TRP HZ2 1 60 ARG HD2 . . 4.820 4.352 2.830 4.834 0.014 2 0 "[ . 1 . 2]" 1
961 1 56 TRP HZ2 1 60 ARG QD . . 4.040 3.421 2.591 4.007 . 0 0 "[ . 1 . 2]" 1
962 1 56 TRP HZ2 1 60 ARG HD3 . . 4.820 3.669 3.004 4.815 . 0 0 "[ . 1 . 2]" 1
963 1 56 TRP HZ3 1 57 PHE HA . . 4.250 3.014 2.789 3.503 . 0 0 "[ . 1 . 2]" 1
964 1 56 TRP HZ3 1 60 ARG QG . . 4.250 3.068 2.388 3.588 . 0 0 "[ . 1 . 2]" 1
965 1 57 PHE H 1 57 PHE HB2 . . 3.630 2.237 2.202 2.284 . 0 0 "[ . 1 . 2]" 1
966 1 57 PHE H 1 57 PHE QB . . 3.030 2.213 2.180 2.258 . 0 0 "[ . 1 . 2]" 1
967 1 57 PHE H 1 57 PHE HB3 . . 3.630 3.525 3.506 3.548 . 0 0 "[ . 1 . 2]" 1
968 1 57 PHE H 1 57 PHE QD . . 3.340 2.561 2.317 2.722 . 0 0 "[ . 1 . 2]" 1
969 1 57 PHE H 1 57 PHE QE . . 4.780 4.673 4.498 4.782 0.002 20 0 "[ . 1 . 2]" 1
970 1 57 PHE H 1 58 ARG H . . 3.430 2.816 2.464 3.012 . 0 0 "[ . 1 . 2]" 1
971 1 57 PHE H 1 58 ARG QB . . 5.090 4.599 4.436 4.840 . 0 0 "[ . 1 . 2]" 1
972 1 57 PHE HA 1 57 PHE QD . . 3.940 2.893 2.725 3.033 . 0 0 "[ . 1 . 2]" 1
973 1 57 PHE HA 1 60 ARG H . . 3.930 3.518 3.313 3.848 . 0 0 "[ . 1 . 2]" 1
974 1 57 PHE HA 1 60 ARG HB2 . . 4.140 3.099 2.564 3.953 . 0 0 "[ . 1 . 2]" 1
975 1 57 PHE HA 1 60 ARG QB . . 3.380 2.718 2.540 3.057 . 0 0 "[ . 1 . 2]" 1
976 1 57 PHE HA 1 60 ARG HB3 . . 4.140 3.201 2.725 4.143 0.003 4 0 "[ . 1 . 2]" 1
977 1 57 PHE HA 1 60 ARG QG . . 4.980 4.007 2.888 4.613 . 0 0 "[ . 1 . 2]" 1
978 1 57 PHE QB 1 58 ARG H . . 3.380 2.551 2.365 2.807 . 0 0 "[ . 1 . 2]" 1
979 1 57 PHE HB2 1 58 ARG H . . 3.940 2.687 2.479 2.962 . 0 0 "[ . 1 . 2]" 1
980 1 57 PHE HB3 1 58 ARG H . . 3.940 3.181 2.883 3.479 . 0 0 "[ . 1 . 2]" 1
981 1 58 ARG H 1 58 ARG QB . . 2.860 2.285 2.132 2.446 . 0 0 "[ . 1 . 2]" 1
982 1 58 ARG H 1 58 ARG HG2 . . 4.700 3.786 2.306 4.626 . 0 0 "[ . 1 . 2]" 1
983 1 58 ARG H 1 58 ARG QG . . 4.000 3.110 2.206 4.018 0.018 18 0 "[ . 1 . 2]" 1
984 1 58 ARG H 1 58 ARG HG3 . . 4.700 3.500 2.226 4.587 . 0 0 "[ . 1 . 2]" 1
985 1 58 ARG H 1 59 HIS H . . 3.530 2.772 2.564 3.036 . 0 0 "[ . 1 . 2]" 1
986 1 58 ARG HA 1 58 ARG QD . . 4.670 3.942 2.453 4.491 . 0 0 "[ . 1 . 2]" 1
987 1 58 ARG HA 1 58 ARG HG2 . . 4.090 3.001 2.217 3.786 . 0 0 "[ . 1 . 2]" 1
988 1 58 ARG HA 1 58 ARG QG . . 3.460 2.506 2.180 3.342 . 0 0 "[ . 1 . 2]" 1
989 1 58 ARG HA 1 58 ARG HG3 . . 4.090 2.963 2.420 3.724 . 0 0 "[ . 1 . 2]" 1
990 1 58 ARG HA 1 61 ARG H . . 4.150 3.973 3.672 4.148 . 0 0 "[ . 1 . 2]" 1
991 1 58 ARG HA 1 61 ARG HB2 . . 4.240 3.561 3.023 3.947 . 0 0 "[ . 1 . 2]" 1
992 1 58 ARG HA 1 62 ASN H . . 5.310 4.995 4.599 5.269 . 0 0 "[ . 1 . 2]" 1
993 1 58 ARG QB 1 58 ARG QD . . 3.310 2.199 2.020 2.383 . 0 0 "[ . 1 . 2]" 1
994 1 58 ARG QB 1 59 HIS H . . 3.260 2.654 2.297 3.299 0.039 5 0 "[ . 1 . 2]" 1
995 1 58 ARG QB 1 60 ARG H . . 5.500 4.790 4.361 5.298 . 0 0 "[ . 1 . 2]" 1
996 1 58 ARG QG 1 59 HIS H . . 4.400 3.627 1.824 4.341 . 0 0 "[ . 1 . 2]" 1
997 1 58 ARG HG2 1 59 HIS H . . 5.030 4.096 1.897 5.033 0.003 2 0 "[ . 1 . 2]" 1
998 1 58 ARG HG3 1 59 HIS H . . 5.030 4.202 2.012 4.742 . 0 0 "[ . 1 . 2]" 1
999 1 59 HIS H 1 59 HIS HB2 . . 3.060 2.313 2.214 2.661 . 0 0 "[ . 1 . 2]" 1
1000 1 59 HIS H 1 59 HIS HB3 . . 3.050 2.790 2.419 2.905 . 0 0 "[ . 1 . 2]" 1
1001 1 59 HIS H 1 59 HIS HD2 . . 5.320 4.946 4.566 5.233 . 0 0 "[ . 1 . 2]" 1
1002 1 59 HIS H 1 60 ARG H . . 3.400 2.689 2.513 2.869 . 0 0 "[ . 1 . 2]" 1
1003 1 59 HIS HA 1 59 HIS HD2 . . 4.640 3.200 2.175 4.215 . 0 0 "[ . 1 . 2]" 1
1004 1 59 HIS HA 1 62 ASN H . . 3.980 3.707 3.522 3.841 . 0 0 "[ . 1 . 2]" 1
1005 1 59 HIS HA 1 62 ASN QB . . 3.610 3.149 2.818 3.610 . 0 0 "[ . 1 . 2]" 1
1006 1 59 HIS HA 1 62 ASN QD . . 5.190 3.458 1.917 5.190 . 16 0 "[ . 1 . 2]" 1
1007 1 59 HIS HA 1 63 GLN H . . 5.180 4.398 4.049 4.889 . 0 0 "[ . 1 . 2]" 1
1008 1 59 HIS HB2 1 60 ARG H . . 4.590 3.667 3.362 3.922 . 0 0 "[ . 1 . 2]" 1
1009 1 59 HIS HB3 1 60 ARG H . . 3.610 2.590 2.005 3.057 . 0 0 "[ . 1 . 2]" 1
1010 1 60 ARG H 1 60 ARG HB2 . . 3.390 2.410 2.166 2.587 . 0 0 "[ . 1 . 2]" 1
1011 1 60 ARG H 1 60 ARG HB3 . . 3.390 2.761 2.475 3.489 0.099 12 0 "[ . 1 . 2]" 1
1012 1 60 ARG H 1 60 ARG QD . . 4.760 4.094 3.789 4.387 . 0 0 "[ . 1 . 2]" 1
1013 1 60 ARG H 1 60 ARG HG2 . . 4.920 4.376 2.947 4.652 . 0 0 "[ . 1 . 2]" 1
1014 1 60 ARG H 1 60 ARG HG3 . . 4.920 4.384 3.763 4.536 . 0 0 "[ . 1 . 2]" 1
1015 1 60 ARG H 1 61 ARG H . . 3.530 3.037 2.753 3.199 . 0 0 "[ . 1 . 2]" 1
1016 1 60 ARG H 1 62 ASN H . . 4.990 4.497 4.010 4.799 . 0 0 "[ . 1 . 2]" 1
1017 1 60 ARG H 1 63 GLN QB . . 5.340 4.733 4.425 5.281 . 0 0 "[ . 1 . 2]" 1
1018 1 60 ARG HA 1 60 ARG HD2 . . 3.830 2.310 1.999 3.486 . 0 0 "[ . 1 . 2]" 1
1019 1 60 ARG HA 1 60 ARG QD . . 3.220 2.214 1.984 2.714 . 0 0 "[ . 1 . 2]" 1
1020 1 60 ARG HA 1 60 ARG HD3 . . 3.830 3.550 1.996 3.825 . 0 0 "[ . 1 . 2]" 1
1021 1 60 ARG HA 1 62 ASN H . . 5.010 4.540 3.986 4.989 . 0 0 "[ . 1 . 2]" 1
1022 1 60 ARG HA 1 63 GLN H . . 4.240 3.425 3.037 3.725 . 0 0 "[ . 1 . 2]" 1
1023 1 60 ARG HA 1 63 GLN QB . . 3.820 2.589 2.196 2.980 . 0 0 "[ . 1 . 2]" 1
1024 1 60 ARG HA 1 63 GLN QG . . 4.290 3.893 2.530 4.292 0.002 20 0 "[ . 1 . 2]" 1
1025 1 60 ARG HA 1 64 ASP H . . 5.410 4.042 3.395 4.579 . 0 0 "[ . 1 . 2]" 1
1026 1 60 ARG QB 1 61 ARG H . . 3.390 2.213 2.016 2.445 . 0 0 "[ . 1 . 2]" 1
1027 1 60 ARG QB 1 61 ARG QG . . 5.180 3.586 3.085 3.963 . 0 0 "[ . 1 . 2]" 1
1028 1 60 ARG HB2 1 61 ARG H . . 4.110 3.476 2.403 3.796 . 0 0 "[ . 1 . 2]" 1
1029 1 60 ARG HB3 1 61 ARG H . . 4.110 2.295 2.030 2.996 . 0 0 "[ . 1 . 2]" 1
1030 1 60 ARG HG2 1 61 ARG H . . 5.080 4.182 3.650 4.685 . 0 0 "[ . 1 . 2]" 1
1031 1 60 ARG HG3 1 61 ARG H . . 5.080 3.589 2.962 4.839 . 0 0 "[ . 1 . 2]" 1
1032 1 61 ARG H 1 61 ARG HB2 . . 3.230 2.457 2.298 2.801 . 0 0 "[ . 1 . 2]" 1
1033 1 61 ARG H 1 61 ARG HB3 . . 3.640 3.585 3.557 3.622 . 0 0 "[ . 1 . 2]" 1
1034 1 61 ARG H 1 61 ARG HD2 . . 5.500 4.817 4.223 5.177 . 0 0 "[ . 1 . 2]" 1
1035 1 61 ARG H 1 61 ARG QD . . 4.670 4.139 3.225 4.504 . 0 0 "[ . 1 . 2]" 1
1036 1 61 ARG H 1 61 ARG HD3 . . 5.500 4.536 3.334 4.952 . 0 0 "[ . 1 . 2]" 1
1037 1 61 ARG H 1 61 ARG HG2 . . 3.980 3.212 2.600 3.895 . 0 0 "[ . 1 . 2]" 1
1038 1 61 ARG H 1 61 ARG QG . . 3.250 2.406 1.888 2.718 . 0 0 "[ . 1 . 2]" 1
1039 1 61 ARG H 1 61 ARG HG3 . . 3.980 2.615 1.905 3.678 . 0 0 "[ . 1 . 2]" 1
1040 1 61 ARG H 1 62 ASN H . . 3.330 3.070 2.878 3.247 . 0 0 "[ . 1 . 2]" 1
1041 1 61 ARG H 1 62 ASN QB . . 5.340 4.940 4.671 5.225 . 0 0 "[ . 1 . 2]" 1
1042 1 61 ARG H 1 63 GLN H . . 5.040 4.403 4.181 4.664 . 0 0 "[ . 1 . 2]" 1
1043 1 61 ARG HA 1 61 ARG QD . . 4.840 3.839 2.084 4.173 . 0 0 "[ . 1 . 2]" 1
1044 1 61 ARG HA 1 61 ARG HG2 . . 4.040 2.394 2.160 2.798 . 0 0 "[ . 1 . 2]" 1
1045 1 61 ARG HA 1 61 ARG QG . . 3.400 2.309 2.124 2.572 . 0 0 "[ . 1 . 2]" 1
1046 1 61 ARG HA 1 61 ARG HG3 . . 4.040 3.183 2.518 3.665 . 0 0 "[ . 1 . 2]" 1
1047 1 61 ARG HA 1 63 GLN H . . 5.500 4.623 4.286 5.002 . 0 0 "[ . 1 . 2]" 1
1048 1 61 ARG HA 1 64 ASP HB2 . . 4.690 3.489 2.526 4.475 . 0 0 "[ . 1 . 2]" 1
1049 1 61 ARG HA 1 64 ASP QB . . 3.990 2.905 2.426 3.441 . 0 0 "[ . 1 . 2]" 1
1050 1 61 ARG HA 1 64 ASP HB3 . . 4.690 3.292 2.875 4.444 . 0 0 "[ . 1 . 2]" 1
1051 1 61 ARG HB2 1 62 ASN H . . 3.740 2.503 2.152 2.847 . 0 0 "[ . 1 . 2]" 1
1052 1 61 ARG HB3 1 61 ARG QD . . 3.580 2.511 2.135 3.125 . 0 0 "[ . 1 . 2]" 1
1053 1 61 ARG HB3 1 62 ASN H . . 3.990 3.200 2.885 3.814 . 0 0 "[ . 1 . 2]" 1
1054 1 61 ARG QG 1 62 ASN H . . 4.850 4.120 3.764 4.358 . 0 0 "[ . 1 . 2]" 1
1055 1 62 ASN H 1 62 ASN HB2 . . 3.620 2.574 2.180 3.513 . 0 0 "[ . 1 . 2]" 1
1056 1 62 ASN H 1 62 ASN QB . . 2.940 2.378 2.128 2.698 . 0 0 "[ . 1 . 2]" 1
1057 1 62 ASN H 1 62 ASN HB3 . . 3.620 3.310 2.191 3.604 . 0 0 "[ . 1 . 2]" 1
1058 1 62 ASN H 1 62 ASN QD . . 3.790 3.067 1.875 3.795 0.005 13 0 "[ . 1 . 2]" 1
1059 1 62 ASN QB 1 63 GLN H . . 3.830 2.528 2.209 3.306 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLN H 1 63 GLN HB2 . . 3.640 2.357 2.214 2.651 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLN H 1 63 GLN QB . . 3.040 2.231 2.149 2.534 . 0 0 "[ . 1 . 2]" 1
1062 1 63 GLN H 1 63 GLN HB3 . . 3.640 2.966 2.412 3.591 . 0 0 "[ . 1 . 2]" 1
1063 1 63 GLN H 1 63 GLN QG . . 4.100 3.597 1.989 4.062 . 0 0 "[ . 1 . 2]" 1
1064 1 63 GLN H 1 64 ASP QB . . 5.000 4.488 4.308 4.687 . 0 0 "[ . 1 . 2]" 1
1065 1 63 GLN HA 1 63 GLN QG . . 3.760 2.517 2.129 2.907 . 0 0 "[ . 1 . 2]" 1
1066 1 63 GLN HB2 1 64 ASP H . . 5.260 3.402 2.481 4.116 . 0 0 "[ . 1 . 2]" 1
1067 1 63 GLN HB3 1 64 ASP H . . 5.260 2.810 2.160 3.689 . 0 0 "[ . 1 . 2]" 1
1068 1 64 ASP H 1 64 ASP QB . . 3.630 2.227 2.157 2.312 . 0 0 "[ . 1 . 2]" 1
1069 1 64 ASP H 1 65 LYS H . . 3.810 2.918 2.663 3.231 . 0 0 "[ . 1 . 2]" 1
1070 1 64 ASP QB 1 65 LYS H . . 3.950 2.764 2.163 3.905 . 0 0 "[ . 1 . 2]" 1
1071 1 64 ASP HB2 1 65 LYS H . . 4.750 3.778 2.684 4.580 . 0 0 "[ . 1 . 2]" 1
1072 1 64 ASP HB3 1 65 LYS H . . 4.750 2.932 2.188 4.241 . 0 0 "[ . 1 . 2]" 1
1073 1 65 LYS H 1 65 LYS HB2 . . 4.060 2.718 2.194 3.938 . 0 0 "[ . 1 . 2]" 1
1074 1 65 LYS H 1 65 LYS QB . . 3.350 2.448 2.153 3.002 . 0 0 "[ . 1 . 2]" 1
1075 1 65 LYS H 1 65 LYS HB3 . . 4.060 3.148 2.384 3.896 . 0 0 "[ . 1 . 2]" 1
1076 1 65 LYS H 1 65 LYS QG . . 4.350 3.179 1.885 4.103 . 0 0 "[ . 1 . 2]" 1
1077 1 65 LYS H 1 66 PRO QD . . 4.820 3.963 2.451 4.362 . 0 0 "[ . 1 . 2]" 1
1078 1 65 LYS HA 1 65 LYS QD . . 4.940 3.508 2.068 4.451 . 0 0 "[ . 1 . 2]" 1
1079 1 65 LYS HA 1 66 PRO HD2 . . 3.430 2.155 1.918 2.482 . 0 0 "[ . 1 . 2]" 1
1080 1 65 LYS HA 1 66 PRO QD . . 2.950 1.992 1.866 2.269 . 0 0 "[ . 1 . 2]" 1
1081 1 65 LYS HA 1 66 PRO HD3 . . 3.430 2.455 2.255 3.210 . 0 0 "[ . 1 . 2]" 1
1082 1 65 LYS QB 1 66 PRO QD . . 3.940 3.059 2.031 3.820 . 0 0 "[ . 1 . 2]" 1
1083 1 68 GLY H 1 69 PRO HA . . 4.990 4.575 4.170 4.991 0.001 16 0 "[ . 1 . 2]" 1
1084 1 68 GLY HA2 1 69 PRO QD . . 3.620 2.235 1.947 3.469 . 0 0 "[ . 1 . 2]" 1
1085 1 68 GLY HA3 1 69 PRO QD . . 3.620 2.979 2.145 3.450 . 0 0 "[ . 1 . 2]" 1
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