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 |
|
|
453772 |
2ytc   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytc
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 2183
_Distance_constraint_stats_list.Viol_count 1018
_Distance_constraint_stats_list.Viol_total 864.311
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0240
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0425
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.006 0.006 10 0 "[ . 1 . 2]"
1 9 ASP 0.055 0.030 6 0 "[ . 1 . 2]"
1 10 LYS 0.459 0.146 13 0 "[ . 1 . 2]"
1 11 THR 0.152 0.152 17 0 "[ . 1 . 2]"
1 12 ILE 0.176 0.030 6 0 "[ . 1 . 2]"
1 13 THR 0.485 0.050 18 0 "[ . 1 . 2]"
1 14 THR 0.441 0.050 18 0 "[ . 1 . 2]"
1 15 LEU 0.393 0.026 9 0 "[ . 1 . 2]"
1 16 TYR 0.768 0.062 15 0 "[ . 1 . 2]"
1 17 VAL 0.195 0.041 20 0 "[ . 1 . 2]"
1 18 GLY 0.093 0.020 2 0 "[ . 1 . 2]"
1 19 GLY 0.064 0.019 16 0 "[ . 1 . 2]"
1 20 LEU 0.231 0.023 16 0 "[ . 1 . 2]"
1 21 GLY 0.111 0.026 8 0 "[ . 1 . 2]"
1 22 ASP 0.056 0.026 8 0 "[ . 1 . 2]"
1 23 THR 0.031 0.010 3 0 "[ . 1 . 2]"
1 24 ILE 0.389 0.029 18 0 "[ . 1 . 2]"
1 25 THR 0.098 0.029 18 0 "[ . 1 . 2]"
1 26 GLU 0.258 0.040 12 0 "[ . 1 . 2]"
1 27 THR 0.049 0.019 11 0 "[ . 1 . 2]"
1 28 ASP 0.046 0.008 10 0 "[ . 1 . 2]"
1 29 LEU 0.124 0.021 16 0 "[ . 1 . 2]"
1 30 ARG 0.046 0.021 16 0 "[ . 1 . 2]"
1 31 ASN 0.251 0.019 20 0 "[ . 1 . 2]"
1 32 HIS 0.334 0.039 20 0 "[ . 1 . 2]"
1 33 PHE 1.612 0.047 18 0 "[ . 1 . 2]"
1 34 TYR 0.844 0.047 18 0 "[ . 1 . 2]"
1 35 GLN 0.103 0.020 18 0 "[ . 1 . 2]"
1 36 PHE 1.123 0.067 16 0 "[ . 1 . 2]"
1 37 GLY 0.216 0.019 19 0 "[ . 1 . 2]"
1 38 GLU 0.073 0.013 3 0 "[ . 1 . 2]"
1 39 ILE 1.873 0.090 5 0 "[ . 1 . 2]"
1 40 ARG 2.509 0.093 20 0 "[ . 1 . 2]"
1 41 THR 0.115 0.016 9 0 "[ . 1 . 2]"
1 42 ILE 0.114 0.020 20 0 "[ . 1 . 2]"
1 43 THR 0.070 0.014 20 0 "[ . 1 . 2]"
1 44 VAL 0.050 0.010 19 0 "[ . 1 . 2]"
1 45 VAL 0.177 0.045 9 0 "[ . 1 . 2]"
1 46 GLN 0.232 0.045 9 0 "[ . 1 . 2]"
1 47 ARG 0.096 0.025 20 0 "[ . 1 . 2]"
1 48 GLN 0.041 0.017 10 0 "[ . 1 . 2]"
1 49 GLN 0.051 0.011 9 0 "[ . 1 . 2]"
1 50 CYS 0.216 0.021 10 0 "[ . 1 . 2]"
1 51 ALA 0.079 0.020 2 0 "[ . 1 . 2]"
1 52 PHE 0.096 0.021 7 0 "[ . 1 . 2]"
1 53 ILE 0.344 0.026 9 0 "[ . 1 . 2]"
1 54 GLN 0.157 0.016 9 0 "[ . 1 . 2]"
1 55 PHE 0.217 0.031 5 0 "[ . 1 . 2]"
1 56 ALA 0.060 0.018 9 0 "[ . 1 . 2]"
1 57 THR 0.024 0.014 14 0 "[ . 1 . 2]"
1 58 ARG 0.165 0.018 18 0 "[ . 1 . 2]"
1 59 GLN 0.124 0.018 18 0 "[ . 1 . 2]"
1 60 ALA 0.046 0.014 15 0 "[ . 1 . 2]"
1 61 ALA 0.119 0.016 14 0 "[ . 1 . 2]"
1 62 GLU 0.155 0.050 14 0 "[ . 1 . 2]"
1 63 VAL 0.424 0.067 16 0 "[ . 1 . 2]"
1 64 ALA 0.089 0.017 20 0 "[ . 1 . 2]"
1 65 ALA 0.055 0.018 7 0 "[ . 1 . 2]"
1 66 GLU 0.049 0.018 7 0 "[ . 1 . 2]"
1 67 LYS 0.109 0.017 20 0 "[ . 1 . 2]"
1 68 SER 0.198 0.028 20 0 "[ . 1 . 2]"
1 69 PHE 17.033 0.926 13 20 [*********-**+*******]
1 70 ASN 16.928 0.926 13 20 [*********-**+*******]
1 71 LYS 0.013 0.010 2 0 "[ . 1 . 2]"
1 72 LEU 0.291 0.028 20 0 "[ . 1 . 2]"
1 73 ILE 0.131 0.031 18 0 "[ . 1 . 2]"
1 74 VAL 0.015 0.004 16 0 "[ . 1 . 2]"
1 75 ASN 14.393 0.807 7 20 [******+*****-*******]
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ARG 14.617 0.807 7 20 [******+*****-*******]
1 78 ARG 0.196 0.031 18 0 "[ . 1 . 2]"
1 79 LEU 0.362 0.023 6 0 "[ . 1 . 2]"
1 80 ASN 0.177 0.026 15 0 "[ . 1 . 2]"
1 81 VAL 0.417 0.073 15 0 "[ . 1 . 2]"
1 82 LYS 1.493 0.080 18 0 "[ . 1 . 2]"
1 83 TRP 0.582 0.080 18 0 "[ . 1 . 2]"
1 84 GLY 0.018 0.009 2 0 "[ . 1 . 2]"
1 85 ARG 0.108 0.080 14 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 ASP H 1 9 ASP HB3 . . 3.920 3.273 2.499 3.869 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASP H 1 9 ASP HB2 . . 3.920 3.361 2.234 3.919 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLU HA 1 9 ASP H . . 3.530 2.431 2.138 3.536 0.006 10 0 "[ . 1 . 2]" 1
4 1 10 LYS H 1 10 LYS HG2 . . 4.040 3.120 1.890 4.081 0.041 1 0 "[ . 1 . 2]" 1
5 1 10 LYS H 1 10 LYS HG3 . . 4.040 3.126 1.891 3.824 . 0 0 "[ . 1 . 2]" 1
6 1 10 LYS H 1 10 LYS HB3 . . 3.870 3.533 3.136 3.765 . 0 0 "[ . 1 . 2]" 1
7 1 10 LYS H 1 10 LYS HB2 . . 3.870 2.767 2.225 3.760 . 0 0 "[ . 1 . 2]" 1
8 1 9 ASP HB3 1 10 LYS H . . 5.020 4.204 3.471 4.643 . 0 0 "[ . 1 . 2]" 1
9 1 9 ASP HA 1 10 LYS H . . 2.910 2.236 2.138 2.728 . 0 0 "[ . 1 . 2]" 1
10 1 11 THR H 1 12 ILE H . . 3.430 2.735 2.246 3.102 . 0 0 "[ . 1 . 2]" 1
11 1 9 ASP HA 1 11 THR H . . 5.500 4.677 3.744 5.423 . 0 0 "[ . 1 . 2]" 1
12 1 10 LYS HB3 1 11 THR H . . 4.700 3.685 2.917 4.409 . 0 0 "[ . 1 . 2]" 1
13 1 12 ILE H 1 13 THR MG . . 5.170 4.481 4.333 4.710 . 0 0 "[ . 1 . 2]" 1
14 1 12 ILE H 1 12 ILE HG12 . . 3.500 3.384 2.946 3.504 0.004 16 0 "[ . 1 . 2]" 1
15 1 12 ILE H 1 12 ILE HB . . 3.330 2.550 2.496 2.625 . 0 0 "[ . 1 . 2]" 1
16 1 12 ILE H 1 13 THR H . . 4.620 4.362 4.201 4.501 . 0 0 "[ . 1 . 2]" 1
17 1 12 ILE MG 1 14 THR H . . 2.990 1.928 1.844 2.139 . 0 0 "[ . 1 . 2]" 1
18 1 14 THR H 1 14 THR HB . . 3.170 2.796 2.631 2.890 . 0 0 "[ . 1 . 2]" 1
19 1 14 THR H 1 83 TRP HE3 . . 4.500 3.695 3.436 4.252 . 0 0 "[ . 1 . 2]" 1
20 1 13 THR H 1 14 THR H . . 3.050 2.836 2.128 3.042 . 0 0 "[ . 1 . 2]" 1
21 1 14 THR H 1 15 LEU H . . 4.560 4.417 4.343 4.581 0.021 1 0 "[ . 1 . 2]" 1
22 1 15 LEU H 1 15 LEU HB2 . . 2.990 2.573 2.511 2.672 . 0 0 "[ . 1 . 2]" 1
23 1 14 THR HA 1 15 LEU H . . 2.870 2.226 2.185 2.293 . 0 0 "[ . 1 . 2]" 1
24 1 15 LEU H 1 55 PHE QD . . 5.350 4.319 3.955 4.758 . 0 0 "[ . 1 . 2]" 1
25 1 16 TYR H 1 16 TYR HB3 . . 3.240 2.266 2.181 2.364 . 0 0 "[ . 1 . 2]" 1
26 1 16 TYR H 1 84 GLY HA3 . . 4.550 4.228 3.934 4.546 . 0 0 "[ . 1 . 2]" 1
27 1 16 TYR H 1 84 GLY HA2 . . 4.710 4.144 3.528 4.648 . 0 0 "[ . 1 . 2]" 1
28 1 16 TYR H 1 17 VAL H . . 4.820 4.558 4.492 4.607 . 0 0 "[ . 1 . 2]" 1
29 1 17 VAL H 1 51 ALA MB . . 4.250 4.058 3.833 4.156 . 0 0 "[ . 1 . 2]" 1
30 1 17 VAL H 1 17 VAL HB . . 3.370 2.791 2.723 2.857 . 0 0 "[ . 1 . 2]" 1
31 1 16 TYR HB2 1 17 VAL H . . 4.200 3.719 3.592 3.878 . 0 0 "[ . 1 . 2]" 1
32 1 16 TYR HA 1 17 VAL H . . 2.780 2.243 2.187 2.316 . 0 0 "[ . 1 . 2]" 1
33 1 17 VAL H 1 52 PHE HA . . 4.090 3.628 3.441 3.862 . 0 0 "[ . 1 . 2]" 1
34 1 16 TYR QD 1 17 VAL H . . 4.290 3.285 3.117 3.463 . 0 0 "[ . 1 . 2]" 1
35 1 17 VAL MG1 1 18 GLY H . . 3.620 2.626 2.067 3.099 . 0 0 "[ . 1 . 2]" 1
36 1 17 VAL MG2 1 18 GLY H . . 4.220 4.033 3.922 4.193 . 0 0 "[ . 1 . 2]" 1
37 1 18 GLY H 1 80 ASN HB3 . . 3.860 3.557 3.382 3.879 0.019 19 0 "[ . 1 . 2]" 1
38 1 17 VAL HA 1 18 GLY H . . 2.690 2.163 2.144 2.205 . 0 0 "[ . 1 . 2]" 1
39 1 17 VAL H 1 18 GLY H . . 4.730 4.219 3.949 4.344 . 0 0 "[ . 1 . 2]" 1
40 1 19 GLY H 1 20 LEU MD2 . . 5.240 4.834 4.410 5.051 . 0 0 "[ . 1 . 2]" 1
41 1 19 GLY H 1 79 LEU MD2 . . 5.500 4.664 4.373 4.899 . 0 0 "[ . 1 . 2]" 1
42 1 19 GLY H 1 20 LEU HG . . 4.470 4.106 3.795 4.387 . 0 0 "[ . 1 . 2]" 1
43 1 18 GLY HA2 1 19 GLY H . . 3.350 2.516 2.331 2.628 . 0 0 "[ . 1 . 2]" 1
44 1 19 GLY H 1 50 CYS HA . . 4.560 4.008 3.695 4.257 . 0 0 "[ . 1 . 2]" 1
45 1 18 GLY H 1 19 GLY H . . 4.780 4.475 4.421 4.514 . 0 0 "[ . 1 . 2]" 1
46 1 20 LEU H 1 20 LEU HG . . 2.840 2.531 2.285 2.706 . 0 0 "[ . 1 . 2]" 1
47 1 20 LEU H 1 24 ILE HB . . 5.180 5.074 4.949 5.129 . 0 0 "[ . 1 . 2]" 1
48 1 20 LEU H 1 49 GLN HB3 . . 3.690 2.476 2.244 2.795 . 0 0 "[ . 1 . 2]" 1
49 1 20 LEU H 1 49 GLN HB2 . . 4.250 3.734 3.570 3.947 . 0 0 "[ . 1 . 2]" 1
50 1 20 LEU H 1 49 GLN QG . . 4.680 4.352 4.029 4.675 . 0 0 "[ . 1 . 2]" 1
51 1 19 GLY HA2 1 20 LEU H . . 3.530 2.772 2.645 2.863 . 0 0 "[ . 1 . 2]" 1
52 1 18 GLY HA2 1 20 LEU H . . 4.090 3.691 3.525 3.911 . 0 0 "[ . 1 . 2]" 1
53 1 20 LEU H 1 50 CYS HA . . 4.190 3.747 3.457 3.967 . 0 0 "[ . 1 . 2]" 1
54 1 20 LEU MD2 1 21 GLY H . . 4.830 4.509 4.448 4.554 . 0 0 "[ . 1 . 2]" 1
55 1 20 LEU MD1 1 21 GLY H . . 5.080 4.205 4.072 4.307 . 0 0 "[ . 1 . 2]" 1
56 1 20 LEU HB3 1 21 GLY H . . 3.860 3.188 3.080 3.333 . 0 0 "[ . 1 . 2]" 1
57 1 21 GLY H 1 49 GLN HB3 . . 3.560 2.279 1.896 2.676 . 0 0 "[ . 1 . 2]" 1
58 1 21 GLY H 1 49 GLN QG . . 3.640 2.868 2.533 3.217 . 0 0 "[ . 1 . 2]" 1
59 1 21 GLY H 1 21 GLY HA2 . . 2.890 2.297 2.295 2.304 . 0 0 "[ . 1 . 2]" 1
60 1 21 GLY H 1 49 GLN HA . . 4.100 3.354 3.008 3.690 . 0 0 "[ . 1 . 2]" 1
61 1 21 GLY H 1 22 ASP H . . 4.430 4.345 4.179 4.456 0.026 8 0 "[ . 1 . 2]" 1
62 1 22 ASP H 1 22 ASP QB . . 3.880 2.435 2.167 2.751 . 0 0 "[ . 1 . 2]" 1
63 1 21 GLY HA2 1 22 ASP H . . 3.540 2.298 2.210 2.387 . 0 0 "[ . 1 . 2]" 1
64 1 23 THR H 1 23 THR MG . . 3.620 2.274 2.013 2.499 . 0 0 "[ . 1 . 2]" 1
65 1 22 ASP QB 1 23 THR H . . 4.240 2.824 2.621 3.242 . 0 0 "[ . 1 . 2]" 1
66 1 21 GLY HA3 1 23 THR H . . 4.310 3.213 2.953 3.379 . 0 0 "[ . 1 . 2]" 1
67 1 22 ASP H 1 23 THR H . . 3.850 2.835 2.705 2.936 . 0 0 "[ . 1 . 2]" 1
68 1 24 ILE H 1 24 ILE MD . . 4.500 3.699 3.511 3.898 . 0 0 "[ . 1 . 2]" 1
69 1 23 THR MG 1 24 ILE H . . 4.210 3.921 3.768 4.063 . 0 0 "[ . 1 . 2]" 1
70 1 24 ILE H 1 24 ILE HG13 . . 3.210 2.446 2.194 2.624 . 0 0 "[ . 1 . 2]" 1
71 1 24 ILE H 1 24 ILE HB . . 2.830 2.554 2.499 2.595 . 0 0 "[ . 1 . 2]" 1
72 1 20 LEU HA 1 24 ILE H . . 4.570 4.460 4.324 4.569 . 0 0 "[ . 1 . 2]" 1
73 1 22 ASP HA 1 24 ILE H . . 4.670 4.284 3.974 4.670 0.000 10 0 "[ . 1 . 2]" 1
74 1 23 THR H 1 24 ILE H . . 3.040 2.787 2.484 2.945 . 0 0 "[ . 1 . 2]" 1
75 1 24 ILE H 1 25 THR H . . 4.680 4.549 4.501 4.601 . 0 0 "[ . 1 . 2]" 1
76 1 24 ILE MG 1 25 THR H . . 3.320 2.004 1.879 2.286 . 0 0 "[ . 1 . 2]" 1
77 1 25 THR H 1 25 THR MG . . 3.180 2.709 2.595 2.890 . 0 0 "[ . 1 . 2]" 1
78 1 24 ILE HB 1 25 THR H . . 4.540 3.900 3.723 3.999 . 0 0 "[ . 1 . 2]" 1
79 1 25 THR H 1 28 ASP HB3 . . 3.770 3.658 3.509 3.769 . 0 0 "[ . 1 . 2]" 1
80 1 25 THR H 1 28 ASP HB2 . . 3.300 2.386 2.272 2.475 . 0 0 "[ . 1 . 2]" 1
81 1 24 ILE HA 1 25 THR H . . 2.720 2.234 2.196 2.306 . 0 0 "[ . 1 . 2]" 1
82 1 25 THR H 1 26 GLU H . . 4.510 4.420 4.398 4.454 . 0 0 "[ . 1 . 2]" 1
83 1 26 GLU H 1 44 VAL MG1 . . 4.250 3.937 3.583 4.256 0.006 16 0 "[ . 1 . 2]" 1
84 1 25 THR MG 1 26 GLU H . . 3.960 3.670 3.610 3.774 . 0 0 "[ . 1 . 2]" 1
85 1 26 GLU H 1 26 GLU HB2 . . 3.660 2.629 2.489 2.772 . 0 0 "[ . 1 . 2]" 1
86 1 27 THR H 1 27 THR MG . . 3.810 3.773 3.764 3.779 . 0 0 "[ . 1 . 2]" 1
87 1 26 GLU HB3 1 27 THR H . . 4.090 2.282 2.158 2.391 . 0 0 "[ . 1 . 2]" 1
88 1 26 GLU HB2 1 27 THR H . . 4.090 3.729 3.632 3.819 . 0 0 "[ . 1 . 2]" 1
89 1 26 GLU QG 1 27 THR H . . 4.300 3.279 2.918 3.886 . 0 0 "[ . 1 . 2]" 1
90 1 27 THR H 1 27 THR HB . . 3.140 2.632 2.476 2.695 . 0 0 "[ . 1 . 2]" 1
91 1 25 THR HB 1 27 THR H . . 3.980 3.504 3.301 3.729 . 0 0 "[ . 1 . 2]" 1
92 1 26 GLU H 1 27 THR H . . 3.750 2.785 2.678 2.921 . 0 0 "[ . 1 . 2]" 1
93 1 27 THR MG 1 28 ASP H . . 3.880 3.192 2.733 3.283 . 0 0 "[ . 1 . 2]" 1
94 1 28 ASP H 1 28 ASP HB3 . . 3.610 3.556 3.528 3.577 . 0 0 "[ . 1 . 2]" 1
95 1 28 ASP H 1 28 ASP HB2 . . 3.200 2.293 2.240 2.345 . 0 0 "[ . 1 . 2]" 1
96 1 27 THR HB 1 28 ASP H . . 3.360 2.359 2.257 2.492 . 0 0 "[ . 1 . 2]" 1
97 1 27 THR H 1 28 ASP H . . 3.430 3.019 2.933 3.121 . 0 0 "[ . 1 . 2]" 1
98 1 25 THR H 1 28 ASP H . . 3.890 3.867 3.793 3.896 0.006 8 0 "[ . 1 . 2]" 1
99 1 29 LEU H 1 29 LEU MD1 . . 3.740 3.415 3.089 3.585 . 0 0 "[ . 1 . 2]" 1
100 1 29 LEU H 1 29 LEU HB3 . . 3.790 3.600 3.574 3.627 . 0 0 "[ . 1 . 2]" 1
101 1 29 LEU H 1 29 LEU HG . . 3.060 2.054 1.899 2.264 . 0 0 "[ . 1 . 2]" 1
102 1 29 LEU H 1 29 LEU HB2 . . 3.170 2.629 2.558 2.712 . 0 0 "[ . 1 . 2]" 1
103 1 28 ASP HB3 1 29 LEU H . . 3.750 3.191 2.868 3.377 . 0 0 "[ . 1 . 2]" 1
104 1 28 ASP HB2 1 29 LEU H . . 3.320 2.717 2.511 2.900 . 0 0 "[ . 1 . 2]" 1
105 1 28 ASP H 1 29 LEU H . . 3.230 2.969 2.828 3.135 . 0 0 "[ . 1 . 2]" 1
106 1 30 ARG H 1 42 ILE MD . . 3.530 3.039 2.824 3.283 . 0 0 "[ . 1 . 2]" 1
107 1 82 LYS H 1 82 LYS HG3 . . 4.200 3.094 2.546 3.782 . 0 0 "[ . 1 . 2]" 1
108 1 30 ARG H 1 30 ARG QG . . 4.030 3.965 3.920 3.989 . 0 0 "[ . 1 . 2]" 1
109 1 30 ARG H 1 30 ARG QB . . 2.860 2.248 2.212 2.267 . 0 0 "[ . 1 . 2]" 1
110 1 29 LEU HB2 1 30 ARG H . . 3.370 2.355 2.144 2.517 . 0 0 "[ . 1 . 2]" 1
111 1 27 THR HA 1 30 ARG H . . 3.760 3.392 3.239 3.599 . 0 0 "[ . 1 . 2]" 1
112 1 30 ARG H 1 32 HIS H . . 4.380 4.236 4.008 4.388 0.008 7 0 "[ . 1 . 2]" 1
113 1 29 LEU H 1 30 ARG H . . 3.300 2.610 2.477 2.840 . 0 0 "[ . 1 . 2]" 1
114 1 27 THR MG 1 31 ASN H . . 4.440 3.702 3.497 3.842 . 0 0 "[ . 1 . 2]" 1
115 1 30 ARG QG 1 31 ASN H . . 4.100 3.605 3.413 3.829 . 0 0 "[ . 1 . 2]" 1
116 1 30 ARG QB 1 31 ASN H . . 3.110 2.519 2.434 2.646 . 0 0 "[ . 1 . 2]" 1
117 1 27 THR HA 1 31 ASN H . . 4.230 3.848 3.690 4.043 . 0 0 "[ . 1 . 2]" 1
118 1 31 ASN H 1 32 HIS H . . 3.390 2.490 2.417 2.560 . 0 0 "[ . 1 . 2]" 1
119 1 30 ARG H 1 31 ASN H . . 3.300 2.918 2.838 3.009 . 0 0 "[ . 1 . 2]" 1
120 1 32 HIS H 1 32 HIS HB2 . . 3.140 2.395 2.278 2.761 . 0 0 "[ . 1 . 2]" 1
121 1 32 HIS H 1 32 HIS HB3 . . 3.610 2.685 2.323 2.813 . 0 0 "[ . 1 . 2]" 1
122 1 29 LEU HA 1 32 HIS H . . 4.080 3.189 3.056 3.258 . 0 0 "[ . 1 . 2]" 1
123 1 32 HIS H 1 33 PHE H . . 3.140 2.687 2.598 2.794 . 0 0 "[ . 1 . 2]" 1
124 1 33 PHE H 1 39 ILE MD . . 4.260 3.441 3.226 3.665 . 0 0 "[ . 1 . 2]" 1
125 1 32 HIS HB2 1 33 PHE H . . 4.030 3.863 3.759 4.069 0.039 20 0 "[ . 1 . 2]" 1
126 1 32 HIS HB3 1 33 PHE H . . 3.120 2.786 2.750 2.822 . 0 0 "[ . 1 . 2]" 1
127 1 33 PHE H 1 33 PHE HB2 . . 3.720 2.353 2.308 2.393 . 0 0 "[ . 1 . 2]" 1
128 1 30 ARG HA 1 33 PHE H . . 4.270 3.854 3.774 3.926 . 0 0 "[ . 1 . 2]" 1
129 1 33 PHE H 1 33 PHE QD . . 3.660 2.843 2.614 3.037 . 0 0 "[ . 1 . 2]" 1
130 1 33 PHE HB3 1 34 TYR H . . 4.060 3.516 3.440 3.622 . 0 0 "[ . 1 . 2]" 1
131 1 34 TYR H 1 34 TYR HB3 . . 3.350 2.260 2.233 2.283 . 0 0 "[ . 1 . 2]" 1
132 1 34 TYR H 1 34 TYR HB2 . . 3.350 2.886 2.872 2.907 . 0 0 "[ . 1 . 2]" 1
133 1 30 ARG HA 1 34 TYR H . . 4.110 3.702 3.654 3.771 . 0 0 "[ . 1 . 2]" 1
134 1 31 ASN HA 1 34 TYR H . . 4.190 3.334 3.274 3.385 . 0 0 "[ . 1 . 2]" 1
135 1 34 TYR H 1 35 GLN H . . 3.820 2.899 2.827 2.972 . 0 0 "[ . 1 . 2]" 1
136 1 34 TYR H 1 34 TYR QD . . 4.250 4.068 4.030 4.092 . 0 0 "[ . 1 . 2]" 1
137 1 33 PHE H 1 34 TYR H . . 3.430 2.270 2.232 2.376 . 0 0 "[ . 1 . 2]" 1
138 1 35 GLN HG2 1 36 PHE H . . 3.900 2.301 2.058 2.522 . 0 0 "[ . 1 . 2]" 1
139 1 35 GLN HG3 1 36 PHE H . . 3.900 2.216 1.995 2.386 . 0 0 "[ . 1 . 2]" 1
140 1 36 PHE H 1 36 PHE HB2 . . 3.200 2.457 2.387 2.610 . 0 0 "[ . 1 . 2]" 1
141 1 36 PHE H 1 36 PHE HB3 . . 3.760 3.585 3.578 3.591 . 0 0 "[ . 1 . 2]" 1
142 1 34 TYR HA 1 36 PHE H . . 4.620 4.247 4.060 4.490 . 0 0 "[ . 1 . 2]" 1
143 1 35 GLN H 1 36 PHE H . . 3.550 2.795 2.603 2.906 . 0 0 "[ . 1 . 2]" 1
144 1 36 PHE H 1 36 PHE QE . . 4.420 4.336 4.054 4.468 0.048 9 0 "[ . 1 . 2]" 1
145 1 37 GLY H 1 60 ALA MB . . 4.150 3.152 3.013 3.298 . 0 0 "[ . 1 . 2]" 1
146 1 36 PHE HB2 1 37 GLY H . . 3.830 2.509 2.391 2.672 . 0 0 "[ . 1 . 2]" 1
147 1 36 PHE HB3 1 37 GLY H . . 4.120 3.487 3.384 3.702 . 0 0 "[ . 1 . 2]" 1
148 1 34 TYR HA 1 37 GLY H . . 3.950 3.380 3.204 3.557 . 0 0 "[ . 1 . 2]" 1
149 1 37 GLY H 1 55 PHE QE . . 4.070 3.128 2.938 3.301 . 0 0 "[ . 1 . 2]" 1
150 1 37 GLY H 1 38 GLU H . . 4.370 4.292 4.146 4.383 0.013 3 0 "[ . 1 . 2]" 1
151 1 38 GLU H 1 60 ALA MB . . 3.870 3.409 2.891 3.860 . 0 0 "[ . 1 . 2]" 1
152 1 38 GLU H 1 56 ALA MB . . 4.700 4.431 4.180 4.645 . 0 0 "[ . 1 . 2]" 1
153 1 37 GLY HA2 1 38 GLU H . . 3.130 2.816 2.496 3.031 . 0 0 "[ . 1 . 2]" 1
154 1 37 GLY HA3 1 38 GLU H . . 3.090 2.351 2.201 2.632 . 0 0 "[ . 1 . 2]" 1
155 1 46 GLN H 1 49 GLN H . . 5.300 4.772 4.321 4.955 . 0 0 "[ . 1 . 2]" 1
156 1 39 ILE H 1 39 ILE HG12 . . 4.120 3.907 3.694 4.099 . 0 0 "[ . 1 . 2]" 1
157 1 39 ILE H 1 39 ILE MG . . 4.180 3.806 3.761 3.855 . 0 0 "[ . 1 . 2]" 1
158 1 39 ILE H 1 39 ILE HB . . 3.100 2.545 2.440 2.650 . 0 0 "[ . 1 . 2]" 1
159 1 39 ILE H 1 39 ILE HG13 . . 3.550 2.592 2.314 2.864 . 0 0 "[ . 1 . 2]" 1
160 1 38 GLU HG3 1 39 ILE H . . 3.960 2.657 2.167 3.118 . 0 0 "[ . 1 . 2]" 1
161 1 38 GLU HG2 1 39 ILE H . . 3.960 3.570 2.872 3.965 0.005 5 0 "[ . 1 . 2]" 1
162 1 38 GLU HA 1 39 ILE H . . 2.760 2.182 2.140 2.258 . 0 0 "[ . 1 . 2]" 1
163 1 38 GLU H 1 39 ILE H . . 4.630 4.550 4.455 4.635 0.005 16 0 "[ . 1 . 2]" 1
164 1 39 ILE H 1 40 ARG H . . 4.670 4.298 4.182 4.431 . 0 0 "[ . 1 . 2]" 1
165 1 39 ILE HG12 1 40 ARG H . . 4.670 4.606 4.533 4.675 0.005 20 0 "[ . 1 . 2]" 1
166 1 40 ARG H 1 40 ARG HB2 . . 3.480 2.190 2.154 2.209 . 0 0 "[ . 1 . 2]" 1
167 1 40 ARG H 1 40 ARG HB3 . . 3.500 3.495 3.465 3.508 0.008 1 0 "[ . 1 . 2]" 1
168 1 40 ARG H 1 54 GLN HG2 . . 4.670 3.918 3.798 4.035 . 0 0 "[ . 1 . 2]" 1
169 1 39 ILE HA 1 40 ARG H . . 2.990 2.146 2.140 2.154 . 0 0 "[ . 1 . 2]" 1
170 1 40 ARG H 1 55 PHE HA . . 3.740 2.041 1.906 2.210 . 0 0 "[ . 1 . 2]" 1
171 1 39 ILE MG 1 41 THR H . . 3.290 2.440 2.243 2.540 . 0 0 "[ . 1 . 2]" 1
172 1 41 THR H 1 41 THR MG . . 3.920 2.673 2.548 2.873 . 0 0 "[ . 1 . 2]" 1
173 1 40 ARG HB2 1 41 THR H . . 3.360 2.665 2.597 2.727 . 0 0 "[ . 1 . 2]" 1
174 1 40 ARG HB3 1 41 THR H . . 3.080 3.040 2.951 3.089 0.009 6 0 "[ . 1 . 2]" 1
175 1 41 THR H 1 54 GLN HG2 . . 4.220 3.945 3.805 4.073 . 0 0 "[ . 1 . 2]" 1
176 1 41 THR H 1 54 GLN HG3 . . 5.220 4.903 4.817 5.011 . 0 0 "[ . 1 . 2]" 1
177 1 39 ILE HA 1 41 THR H . . 4.290 4.043 3.994 4.141 . 0 0 "[ . 1 . 2]" 1
178 1 41 THR H 1 41 THR HB . . 3.920 3.373 3.316 3.434 . 0 0 "[ . 1 . 2]" 1
179 1 41 THR H 1 42 ILE H . . 4.420 4.356 4.287 4.377 . 0 0 "[ . 1 . 2]" 1
180 1 41 THR H 1 54 GLN H . . 3.690 2.880 2.759 2.948 . 0 0 "[ . 1 . 2]" 1
181 1 40 ARG H 1 41 THR H . . 3.030 2.828 2.658 2.927 . 0 0 "[ . 1 . 2]" 1
182 1 42 ILE H 1 42 ILE MG . . 4.170 3.901 3.861 3.951 . 0 0 "[ . 1 . 2]" 1
183 1 41 THR MG 1 42 ILE H . . 3.860 3.129 2.943 3.336 . 0 0 "[ . 1 . 2]" 1
184 1 42 ILE H 1 42 ILE HB . . 3.220 2.823 2.697 2.887 . 0 0 "[ . 1 . 2]" 1
185 1 41 THR HB 1 42 ILE H . . 4.090 3.844 3.738 4.079 . 0 0 "[ . 1 . 2]" 1
186 1 41 THR HA 1 42 ILE H . . 2.730 2.424 2.273 2.486 . 0 0 "[ . 1 . 2]" 1
187 1 42 ILE H 1 43 THR H . . 4.280 3.994 3.896 4.181 . 0 0 "[ . 1 . 2]" 1
188 1 69 PHE H 1 70 ASN H . . 3.500 4.344 4.234 4.426 0.926 13 20 [*********-**+*******] 1
189 1 42 ILE MG 1 43 THR H . . 3.410 2.910 2.752 3.152 . 0 0 "[ . 1 . 2]" 1
190 1 42 ILE HB 1 43 THR H . . 4.560 4.364 4.269 4.417 . 0 0 "[ . 1 . 2]" 1
191 1 43 THR H 1 52 PHE QB . . 3.820 2.891 2.784 3.027 . 0 0 "[ . 1 . 2]" 1
192 1 43 THR H 1 53 ILE HA . . 4.330 4.169 4.061 4.231 . 0 0 "[ . 1 . 2]" 1
193 1 42 ILE HA 1 43 THR H . . 3.030 2.150 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
194 1 43 THR H 1 44 VAL H . . 4.470 4.145 4.078 4.421 . 0 0 "[ . 1 . 2]" 1
195 1 44 VAL H 1 44 VAL MG2 . . 3.240 2.496 2.270 2.603 . 0 0 "[ . 1 . 2]" 1
196 1 44 VAL H 1 44 VAL HB . . 3.050 2.527 2.487 2.658 . 0 0 "[ . 1 . 2]" 1
197 1 43 THR HA 1 44 VAL H . . 2.750 2.192 2.149 2.199 . 0 0 "[ . 1 . 2]" 1
198 1 45 VAL H 1 45 VAL MG2 . . 3.330 2.393 2.003 2.762 . 0 0 "[ . 1 . 2]" 1
199 1 44 VAL HB 1 45 VAL H . . 4.700 4.355 4.167 4.412 . 0 0 "[ . 1 . 2]" 1
200 1 45 VAL H 1 45 VAL HB . . 3.500 2.611 2.454 2.720 . 0 0 "[ . 1 . 2]" 1
201 1 44 VAL HA 1 45 VAL H . . 2.910 2.156 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
202 1 45 VAL MG1 1 46 GLN H . . 4.670 3.132 3.065 3.233 . 0 0 "[ . 1 . 2]" 1
203 1 48 GLN H 1 48 GLN HB3 . . 4.150 3.666 3.589 3.762 . 0 0 "[ . 1 . 2]" 1
204 1 48 GLN H 1 48 GLN HG3 . . 4.320 3.562 2.813 4.337 0.017 10 0 "[ . 1 . 2]" 1
205 1 45 VAL HB 1 48 GLN H . . 4.010 3.225 3.038 3.476 . 0 0 "[ . 1 . 2]" 1
206 1 46 GLN HA 1 48 GLN H . . 4.400 3.854 3.537 4.165 . 0 0 "[ . 1 . 2]" 1
207 1 45 VAL MG1 1 49 GLN H . . 4.270 3.956 3.523 4.234 . 0 0 "[ . 1 . 2]" 1
208 1 49 GLN H 1 49 GLN QG . . 3.250 2.484 2.235 2.999 . 0 0 "[ . 1 . 2]" 1
209 1 46 GLN QG 1 49 GLN H . . 4.970 4.644 4.148 4.977 0.007 6 0 "[ . 1 . 2]" 1
210 1 49 GLN H 1 49 GLN HA . . 2.700 2.309 2.275 2.321 . 0 0 "[ . 1 . 2]" 1
211 1 48 GLN H 1 49 GLN H . . 2.900 2.248 1.932 2.471 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU MD1 1 50 CYS H . . 3.880 2.890 2.347 3.316 . 0 0 "[ . 1 . 2]" 1
213 1 45 VAL MG1 1 50 CYS H . . 4.230 4.125 3.889 4.251 0.021 10 0 "[ . 1 . 2]" 1
214 1 49 GLN HB3 1 50 CYS H . . 4.580 4.409 4.364 4.448 . 0 0 "[ . 1 . 2]" 1
215 1 49 GLN HB2 1 50 CYS H . . 4.740 4.329 4.267 4.391 . 0 0 "[ . 1 . 2]" 1
216 1 49 GLN QG 1 50 CYS H . . 5.170 4.583 4.498 4.961 . 0 0 "[ . 1 . 2]" 1
217 1 45 VAL HB 1 50 CYS H . . 3.530 3.141 2.946 3.305 . 0 0 "[ . 1 . 2]" 1
218 1 49 GLN HA 1 50 CYS H . . 3.030 2.689 2.630 2.752 . 0 0 "[ . 1 . 2]" 1
219 1 49 GLN H 1 50 CYS H . . 3.280 3.054 2.684 3.151 . 0 0 "[ . 1 . 2]" 1
220 1 50 CYS H 1 51 ALA H . . 4.580 4.413 4.393 4.434 . 0 0 "[ . 1 . 2]" 1
221 1 45 VAL H 1 50 CYS H . . 3.890 3.361 3.077 3.543 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU MD1 1 51 ALA H . . 3.550 3.052 2.517 3.501 . 0 0 "[ . 1 . 2]" 1
223 1 51 ALA H 1 51 ALA MB . . 3.280 2.696 2.606 2.764 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU HG 1 51 ALA H . . 4.490 3.933 3.789 4.148 . 0 0 "[ . 1 . 2]" 1
225 1 17 VAL HB 1 51 ALA H . . 3.730 2.921 2.715 3.110 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLY HA3 1 51 ALA H . . 5.330 5.214 4.863 5.350 0.020 2 0 "[ . 1 . 2]" 1
227 1 18 GLY HA2 1 51 ALA H . . 4.050 3.822 3.481 4.004 . 0 0 "[ . 1 . 2]" 1
228 1 50 CYS HA 1 51 ALA H . . 2.930 2.500 2.422 2.575 . 0 0 "[ . 1 . 2]" 1
229 1 16 TYR QD 1 51 ALA H . . 5.140 4.589 4.296 4.788 . 0 0 "[ . 1 . 2]" 1
230 1 17 VAL H 1 51 ALA H . . 3.480 2.650 2.540 2.716 . 0 0 "[ . 1 . 2]" 1
231 1 51 ALA MB 1 52 PHE H . . 3.170 2.887 2.627 3.063 . 0 0 "[ . 1 . 2]" 1
232 1 52 PHE H 1 52 PHE QB . . 3.150 2.349 2.259 2.508 . 0 0 "[ . 1 . 2]" 1
233 1 43 THR HB 1 52 PHE H . . 3.810 3.107 2.952 3.397 . 0 0 "[ . 1 . 2]" 1
234 1 44 VAL HA 1 52 PHE H . . 3.800 3.567 3.505 3.661 . 0 0 "[ . 1 . 2]" 1
235 1 51 ALA HA 1 52 PHE H . . 2.800 2.210 2.160 2.331 . 0 0 "[ . 1 . 2]" 1
236 1 52 PHE H 1 52 PHE QD . . 3.720 3.093 2.877 3.276 . 0 0 "[ . 1 . 2]" 1
237 1 45 VAL H 1 52 PHE H . . 5.140 4.515 4.353 4.913 . 0 0 "[ . 1 . 2]" 1
238 1 53 ILE H 1 53 ILE QG . . 3.460 2.318 1.892 3.313 . 0 0 "[ . 1 . 2]" 1
239 1 14 THR MG 1 53 ILE H . . 3.470 3.388 3.241 3.472 0.002 18 0 "[ . 1 . 2]" 1
240 1 53 ILE H 1 53 ILE HB . . 3.350 2.673 2.400 2.794 . 0 0 "[ . 1 . 2]" 1
241 1 52 PHE QB 1 53 ILE H . . 3.790 3.522 3.336 3.584 . 0 0 "[ . 1 . 2]" 1
242 1 52 PHE HA 1 53 ILE H . . 2.860 2.149 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
243 1 14 THR HA 1 53 ILE H . . 5.250 4.876 4.710 5.075 . 0 0 "[ . 1 . 2]" 1
244 1 52 PHE H 1 53 ILE H . . 4.660 4.242 4.082 4.381 . 0 0 "[ . 1 . 2]" 1
245 1 15 LEU H 1 53 ILE H . . 3.730 3.090 2.882 3.334 . 0 0 "[ . 1 . 2]" 1
246 1 53 ILE MG 1 54 GLN H . . 3.740 2.787 2.403 2.997 . 0 0 "[ . 1 . 2]" 1
247 1 53 ILE HB 1 54 GLN H . . 4.470 4.166 3.972 4.340 . 0 0 "[ . 1 . 2]" 1
248 1 54 GLN H 1 54 GLN HB2 . . 3.370 2.725 2.603 2.820 . 0 0 "[ . 1 . 2]" 1
249 1 54 GLN H 1 54 GLN HG2 . . 4.700 4.595 4.539 4.699 . 0 0 "[ . 1 . 2]" 1
250 1 54 GLN H 1 54 GLN HB3 . . 3.350 2.713 2.657 2.813 . 0 0 "[ . 1 . 2]" 1
251 1 53 ILE HA 1 54 GLN H . . 2.800 2.142 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
252 1 42 ILE HA 1 54 GLN H . . 4.100 3.422 3.283 3.566 . 0 0 "[ . 1 . 2]" 1
253 1 13 THR MG 1 55 PHE H . . 4.830 4.365 4.165 4.613 . 0 0 "[ . 1 . 2]" 1
254 1 54 GLN HG2 1 55 PHE H . . 4.080 2.768 2.396 3.091 . 0 0 "[ . 1 . 2]" 1
255 1 54 GLN HG3 1 55 PHE H . . 4.140 2.773 2.529 3.164 . 0 0 "[ . 1 . 2]" 1
256 1 55 PHE H 1 55 PHE HB2 . . 3.220 2.612 2.523 2.688 . 0 0 "[ . 1 . 2]" 1
257 1 55 PHE H 1 55 PHE HB3 . . 3.870 3.762 3.709 3.807 . 0 0 "[ . 1 . 2]" 1
258 1 13 THR HB 1 55 PHE H . . 3.780 2.827 2.535 3.113 . 0 0 "[ . 1 . 2]" 1
259 1 54 GLN HA 1 55 PHE H . . 3.010 2.226 2.184 2.277 . 0 0 "[ . 1 . 2]" 1
260 1 14 THR HA 1 55 PHE H . . 3.710 3.458 3.223 3.606 . 0 0 "[ . 1 . 2]" 1
261 1 55 PHE H 1 55 PHE QD . . 3.300 2.804 2.619 3.016 . 0 0 "[ . 1 . 2]" 1
262 1 56 ALA H 1 56 ALA MB . . 2.950 2.109 2.027 2.245 . 0 0 "[ . 1 . 2]" 1
263 1 55 PHE HB3 1 56 ALA H . . 3.360 2.806 2.599 3.023 . 0 0 "[ . 1 . 2]" 1
264 1 39 ILE HA 1 56 ALA H . . 3.840 3.784 3.638 3.847 0.007 15 0 "[ . 1 . 2]" 1
265 1 55 PHE HA 1 56 ALA H . . 3.100 2.264 2.200 2.334 . 0 0 "[ . 1 . 2]" 1
266 1 55 PHE QD 1 56 ALA H . . 4.150 3.852 3.688 4.049 . 0 0 "[ . 1 . 2]" 1
267 1 56 ALA H 1 57 THR H . . 3.300 2.560 2.439 2.690 . 0 0 "[ . 1 . 2]" 1
268 1 40 ARG H 1 56 ALA H . . 3.970 3.204 3.004 3.452 . 0 0 "[ . 1 . 2]" 1
269 1 57 THR H 1 57 THR MG . . 3.260 3.069 2.957 3.172 . 0 0 "[ . 1 . 2]" 1
270 1 56 ALA MB 1 57 THR H . . 3.510 2.733 2.566 2.829 . 0 0 "[ . 1 . 2]" 1
271 1 55 PHE HB2 1 57 THR H . . 4.050 3.827 3.652 4.023 . 0 0 "[ . 1 . 2]" 1
272 1 55 PHE HB3 1 57 THR H . . 3.400 2.798 2.716 2.930 . 0 0 "[ . 1 . 2]" 1
273 1 55 PHE QD 1 57 THR H . . 4.690 4.520 4.375 4.648 . 0 0 "[ . 1 . 2]" 1
274 1 57 THR H 1 58 ARG H . . 4.660 4.240 4.196 4.312 . 0 0 "[ . 1 . 2]" 1
275 1 13 THR MG 1 58 ARG H . . 3.770 2.172 2.033 2.378 . 0 0 "[ . 1 . 2]" 1
276 1 57 THR MG 1 58 ARG H . . 4.100 3.934 3.892 3.989 . 0 0 "[ . 1 . 2]" 1
277 1 58 ARG H 1 58 ARG HG3 . . 4.700 4.472 4.422 4.504 . 0 0 "[ . 1 . 2]" 1
278 1 58 ARG H 1 58 ARG HB3 . . 3.410 2.593 2.520 2.657 . 0 0 "[ . 1 . 2]" 1
279 1 58 ARG H 1 58 ARG HB2 . . 3.300 2.529 2.474 2.609 . 0 0 "[ . 1 . 2]" 1
280 1 57 THR HB 1 58 ARG H . . 3.620 3.444 3.301 3.515 . 0 0 "[ . 1 . 2]" 1
281 1 57 THR HA 1 58 ARG H . . 3.100 2.143 2.141 2.150 . 0 0 "[ . 1 . 2]" 1
282 1 58 ARG HG3 1 59 GLN H . . 4.260 3.717 3.524 3.879 . 0 0 "[ . 1 . 2]" 1
283 1 58 ARG HB3 1 59 GLN H . . 3.760 2.745 2.642 2.841 . 0 0 "[ . 1 . 2]" 1
284 1 59 GLN H 1 59 GLN HB3 . . 3.170 2.952 2.856 3.039 . 0 0 "[ . 1 . 2]" 1
285 1 59 GLN H 1 59 GLN HB2 . . 3.090 2.238 2.178 2.304 . 0 0 "[ . 1 . 2]" 1
286 1 59 GLN H 1 59 GLN QG . . 4.070 3.964 3.745 4.073 0.003 16 0 "[ . 1 . 2]" 1
287 1 57 THR HB 1 59 GLN H . . 3.230 2.732 2.618 2.828 . 0 0 "[ . 1 . 2]" 1
288 1 59 GLN H 1 61 ALA H . . 4.650 4.265 4.098 4.511 . 0 0 "[ . 1 . 2]" 1
289 1 59 GLN H 1 60 ALA H . . 3.330 3.247 3.170 3.298 . 0 0 "[ . 1 . 2]" 1
290 1 58 ARG H 1 59 GLN H . . 3.450 2.964 2.905 2.999 . 0 0 "[ . 1 . 2]" 1
291 1 60 ALA H 1 60 ALA MB . . 2.790 2.092 2.024 2.233 . 0 0 "[ . 1 . 2]" 1
292 1 59 GLN HB3 1 60 ALA H . . 3.440 2.022 1.952 2.170 . 0 0 "[ . 1 . 2]" 1
293 1 59 GLN HB2 1 60 ALA H . . 3.610 3.393 3.275 3.471 . 0 0 "[ . 1 . 2]" 1
294 1 59 GLN QG 1 60 ALA H . . 4.140 3.615 3.359 3.996 . 0 0 "[ . 1 . 2]" 1
295 1 57 THR HB 1 60 ALA H . . 4.210 3.981 3.787 4.212 0.002 16 0 "[ . 1 . 2]" 1
296 1 57 THR H 1 60 ALA H . . 4.550 4.339 4.231 4.450 . 0 0 "[ . 1 . 2]" 1
297 1 13 THR MG 1 61 ALA H . . 4.830 4.642 4.522 4.816 . 0 0 "[ . 1 . 2]" 1
298 1 60 ALA MB 1 61 ALA H . . 3.190 2.612 2.451 2.787 . 0 0 "[ . 1 . 2]" 1
299 1 61 ALA H 1 61 ALA MB . . 2.910 2.128 2.027 2.238 . 0 0 "[ . 1 . 2]" 1
300 1 55 PHE HB2 1 61 ALA H . . 4.070 3.167 2.838 3.378 . 0 0 "[ . 1 . 2]" 1
301 1 55 PHE HB3 1 61 ALA H . . 4.210 3.391 2.997 3.548 . 0 0 "[ . 1 . 2]" 1
302 1 58 ARG HA 1 61 ALA H . . 3.840 3.261 3.153 3.450 . 0 0 "[ . 1 . 2]" 1
303 1 55 PHE QD 1 61 ALA H . . 4.360 3.829 3.488 4.018 . 0 0 "[ . 1 . 2]" 1
304 1 60 ALA H 1 61 ALA H . . 3.140 2.765 2.684 2.861 . 0 0 "[ . 1 . 2]" 1
305 1 61 ALA H 1 62 GLU H . . 3.200 2.992 2.803 3.174 . 0 0 "[ . 1 . 2]" 1
306 1 62 GLU H 1 63 VAL MG2 . . 4.730 4.229 4.066 4.376 . 0 0 "[ . 1 . 2]" 1
307 1 61 ALA MB 1 62 GLU H . . 3.430 2.272 2.052 2.533 . 0 0 "[ . 1 . 2]" 1
308 1 62 GLU H 1 62 GLU HB3 . . 3.750 3.535 3.498 3.588 . 0 0 "[ . 1 . 2]" 1
309 1 62 GLU H 1 62 GLU HB2 . . 3.200 2.261 2.193 2.424 . 0 0 "[ . 1 . 2]" 1
310 1 62 GLU H 1 62 GLU HG2 . . 3.720 3.537 2.455 3.699 . 0 0 "[ . 1 . 2]" 1
311 1 62 GLU H 1 62 GLU HG3 . . 3.270 2.840 2.694 3.320 0.050 14 0 "[ . 1 . 2]" 1
312 1 62 GLU H 1 83 TRP HH2 . . 4.140 3.113 2.718 3.377 . 0 0 "[ . 1 . 2]" 1
313 1 62 GLU H 1 63 VAL H . . 3.360 2.997 2.790 3.156 . 0 0 "[ . 1 . 2]" 1
314 1 63 VAL H 1 63 VAL HB . . 2.980 2.711 2.638 2.822 . 0 0 "[ . 1 . 2]" 1
315 1 62 GLU HB2 1 63 VAL H . . 3.540 2.507 2.239 2.672 . 0 0 "[ . 1 . 2]" 1
316 1 63 VAL H 1 65 ALA H . . 4.830 4.126 3.904 4.314 . 0 0 "[ . 1 . 2]" 1
317 1 63 VAL HB 1 64 ALA H . . 3.230 2.139 1.993 2.279 . 0 0 "[ . 1 . 2]" 1
318 1 61 ALA HA 1 64 ALA H . . 4.230 3.979 3.751 4.202 . 0 0 "[ . 1 . 2]" 1
319 1 36 PHE HB3 1 64 ALA H . . 4.200 3.442 2.981 3.623 . 0 0 "[ . 1 . 2]" 1
320 1 62 GLU H 1 64 ALA H . . 5.010 4.666 4.471 4.895 . 0 0 "[ . 1 . 2]" 1
321 1 15 LEU MD2 1 65 ALA H . . 4.400 3.753 3.403 3.988 . 0 0 "[ . 1 . 2]" 1
322 1 65 ALA H 1 65 ALA MB . . 2.850 2.134 2.025 2.250 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU MD1 1 65 ALA H . . 3.810 2.450 2.035 2.889 . 0 0 "[ . 1 . 2]" 1
324 1 64 ALA MB 1 65 ALA H . . 3.210 2.631 2.429 2.895 . 0 0 "[ . 1 . 2]" 1
325 1 64 ALA H 1 65 ALA H . . 3.070 2.764 2.666 2.881 . 0 0 "[ . 1 . 2]" 1
326 1 65 ALA H 1 66 GLU H . . 3.420 3.020 2.736 3.229 . 0 0 "[ . 1 . 2]" 1
327 1 66 GLU H 1 66 GLU HB3 . . 3.620 3.056 2.455 3.606 . 0 0 "[ . 1 . 2]" 1
328 1 66 GLU H 1 66 GLU HG2 . . 4.800 3.838 2.175 4.613 . 0 0 "[ . 1 . 2]" 1
329 1 67 LYS H 1 67 LYS HB2 . . 3.000 2.256 2.223 2.302 . 0 0 "[ . 1 . 2]" 1
330 1 67 LYS H 1 67 LYS HB3 . . 3.620 3.536 3.510 3.570 . 0 0 "[ . 1 . 2]" 1
331 1 67 LYS HB2 1 68 SER H . . 3.730 3.637 3.266 3.739 0.009 3 0 "[ . 1 . 2]" 1
332 1 67 LYS HB3 1 68 SER H . . 4.440 4.114 3.794 4.192 . 0 0 "[ . 1 . 2]" 1
333 1 68 SER H 1 69 PHE HB2 . . 4.690 3.824 3.756 4.142 . 0 0 "[ . 1 . 2]" 1
334 1 68 SER H 1 68 SER HB3 . . 3.940 3.381 2.816 3.684 . 0 0 "[ . 1 . 2]" 1
335 1 67 LYS H 1 68 SER H . . 3.240 2.519 2.302 2.643 . 0 0 "[ . 1 . 2]" 1
336 1 68 SER H 1 69 PHE H . . 3.100 1.931 1.862 2.240 . 0 0 "[ . 1 . 2]" 1
337 1 69 PHE H 1 69 PHE HB3 . . 3.660 3.532 3.502 3.566 . 0 0 "[ . 1 . 2]" 1
338 1 69 PHE H 1 69 PHE HB2 . . 3.420 2.252 2.196 2.346 . 0 0 "[ . 1 . 2]" 1
339 1 66 GLU HA 1 69 PHE H . . 4.380 3.386 3.124 3.603 . 0 0 "[ . 1 . 2]" 1
340 1 69 PHE H 1 69 PHE QD . . 4.110 2.293 2.108 2.704 . 0 0 "[ . 1 . 2]" 1
341 1 71 LYS H 1 72 LEU HB3 . . 4.030 3.749 3.695 3.814 . 0 0 "[ . 1 . 2]" 1
342 1 71 LYS H 1 71 LYS HB3 . . 3.720 2.826 2.555 3.612 . 0 0 "[ . 1 . 2]" 1
343 1 71 LYS H 1 71 LYS HB2 . . 3.720 2.971 2.506 3.215 . 0 0 "[ . 1 . 2]" 1
344 1 70 ASN HB2 1 71 LYS H . . 5.190 4.292 4.023 4.589 . 0 0 "[ . 1 . 2]" 1
345 1 70 ASN HA 1 71 LYS H . . 3.410 2.934 2.865 2.984 . 0 0 "[ . 1 . 2]" 1
346 1 71 LYS H 1 72 LEU H . . 3.000 1.841 1.796 1.904 . 0 0 "[ . 1 . 2]" 1
347 1 70 ASN H 1 71 LYS H . . 4.210 2.865 2.801 2.917 . 0 0 "[ . 1 . 2]" 1
348 1 72 LEU H 1 72 LEU HG . . 4.360 4.273 4.238 4.312 . 0 0 "[ . 1 . 2]" 1
349 1 72 LEU H 1 72 LEU HB3 . . 3.260 2.245 2.219 2.280 . 0 0 "[ . 1 . 2]" 1
350 1 72 LEU H 1 72 LEU HB2 . . 3.170 2.817 2.765 2.861 . 0 0 "[ . 1 . 2]" 1
351 1 72 LEU MD1 1 73 ILE H . . 3.620 3.353 3.105 3.544 . 0 0 "[ . 1 . 2]" 1
352 1 73 ILE H 1 73 ILE HG13 . . 3.960 2.628 2.497 2.787 . 0 0 "[ . 1 . 2]" 1
353 1 72 LEU HG 1 73 ILE H . . 4.340 3.779 3.676 4.014 . 0 0 "[ . 1 . 2]" 1
354 1 73 ILE H 1 73 ILE HG12 . . 4.060 3.785 3.651 3.912 . 0 0 "[ . 1 . 2]" 1
355 1 72 LEU HB2 1 73 ILE H . . 4.490 4.366 4.307 4.436 . 0 0 "[ . 1 . 2]" 1
356 1 74 VAL H 1 74 VAL MG2 . . 3.840 2.363 2.187 2.537 . 0 0 "[ . 1 . 2]" 1
357 1 73 ILE MG 1 74 VAL H . . 3.400 3.298 3.165 3.404 0.004 8 0 "[ . 1 . 2]" 1
358 1 74 VAL H 1 74 VAL MG1 . . 4.100 3.809 3.786 3.823 . 0 0 "[ . 1 . 2]" 1
359 1 74 VAL H 1 74 VAL HB . . 3.550 2.559 2.519 2.630 . 0 0 "[ . 1 . 2]" 1
360 1 74 VAL H 1 79 LEU HG . . 3.760 2.528 2.286 2.835 . 0 0 "[ . 1 . 2]" 1
361 1 74 VAL H 1 78 ARG HA . . 4.430 4.255 4.100 4.430 0.000 2 0 "[ . 1 . 2]" 1
362 1 73 ILE HA 1 74 VAL H . . 3.000 2.220 2.191 2.248 . 0 0 "[ . 1 . 2]" 1
363 1 74 VAL H 1 77 ARG H . . 3.860 3.790 3.696 3.862 0.002 10 0 "[ . 1 . 2]" 1
364 1 73 ILE MG 1 76 GLY H . . 3.610 3.370 3.187 3.602 . 0 0 "[ . 1 . 2]" 1
365 1 75 ASN HB3 1 76 GLY H . . 4.840 4.390 4.357 4.420 . 0 0 "[ . 1 . 2]" 1
366 1 75 ASN HA 1 76 GLY H . . 3.300 2.713 2.619 2.799 . 0 0 "[ . 1 . 2]" 1
367 1 75 ASN H 1 76 GLY H . . 3.920 2.843 2.742 2.982 . 0 0 "[ . 1 . 2]" 1
368 1 73 ILE MG 1 77 ARG H . . 3.350 2.410 2.249 2.609 . 0 0 "[ . 1 . 2]" 1
369 1 75 ASN HB2 1 77 ARG H . . 4.500 3.906 3.777 4.026 . 0 0 "[ . 1 . 2]" 1
370 1 75 ASN HB3 1 77 ARG H . . 4.680 4.526 4.294 4.670 . 0 0 "[ . 1 . 2]" 1
371 1 75 ASN HA 1 77 ARG H . . 4.520 4.395 4.293 4.480 . 0 0 "[ . 1 . 2]" 1
372 1 73 ILE HA 1 77 ARG H . . 4.550 4.175 4.094 4.246 . 0 0 "[ . 1 . 2]" 1
373 1 76 GLY H 1 77 ARG H . . 3.010 2.865 2.813 2.943 . 0 0 "[ . 1 . 2]" 1
374 1 77 ARG H 1 78 ARG H . . 4.290 3.944 3.849 4.015 . 0 0 "[ . 1 . 2]" 1
375 1 73 ILE MD 1 78 ARG H . . 4.640 4.301 3.947 4.515 . 0 0 "[ . 1 . 2]" 1
376 1 78 ARG H 1 78 ARG HB3 . . 3.170 2.915 2.779 3.009 . 0 0 "[ . 1 . 2]" 1
377 1 78 ARG H 1 78 ARG HB2 . . 3.140 2.213 2.167 2.294 . 0 0 "[ . 1 . 2]" 1
378 1 78 ARG H 1 78 ARG QD . . 4.810 4.659 4.439 4.749 . 0 0 "[ . 1 . 2]" 1
379 1 77 ARG HA 1 78 ARG H . . 2.660 2.178 2.153 2.202 . 0 0 "[ . 1 . 2]" 1
380 1 79 LEU H 1 79 LEU MD2 . . 3.670 3.629 3.514 3.693 0.023 6 0 "[ . 1 . 2]" 1
381 1 73 ILE HG13 1 79 LEU H . . 4.310 4.261 4.130 4.322 0.012 16 0 "[ . 1 . 2]" 1
382 1 79 LEU H 1 79 LEU HB3 . . 3.890 3.834 3.776 3.862 . 0 0 "[ . 1 . 2]" 1
383 1 78 ARG HG3 1 79 LEU H . . 4.400 3.438 3.072 3.663 . 0 0 "[ . 1 . 2]" 1
384 1 79 LEU H 1 79 LEU HG . . 3.370 2.868 2.727 2.985 . 0 0 "[ . 1 . 2]" 1
385 1 78 ARG HB2 1 79 LEU H . . 4.280 4.199 4.109 4.298 0.018 12 0 "[ . 1 . 2]" 1
386 1 78 ARG HA 1 79 LEU H . . 2.830 2.238 2.181 2.280 . 0 0 "[ . 1 . 2]" 1
387 1 17 VAL MG1 1 80 ASN H . . 4.330 4.166 3.927 4.351 0.021 15 0 "[ . 1 . 2]" 1
388 1 79 LEU HB2 1 80 ASN H . . 3.990 3.976 3.809 4.008 0.018 3 0 "[ . 1 . 2]" 1
389 1 80 ASN H 1 80 ASN HB3 . . 3.530 2.864 2.739 3.479 . 0 0 "[ . 1 . 2]" 1
390 1 18 GLY HA3 1 80 ASN H . . 4.620 3.879 3.456 4.148 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLY HA3 1 80 ASN H . . 4.220 3.684 3.289 3.876 . 0 0 "[ . 1 . 2]" 1
392 1 79 LEU HA 1 80 ASN H . . 2.970 2.183 2.167 2.243 . 0 0 "[ . 1 . 2]" 1
393 1 80 ASN H 1 81 VAL H . . 4.350 4.257 4.180 4.376 0.026 15 0 "[ . 1 . 2]" 1
394 1 18 GLY H 1 80 ASN H . . 3.580 3.256 2.999 3.489 . 0 0 "[ . 1 . 2]" 1
395 1 81 VAL H 1 81 VAL MG2 . . 3.370 2.666 2.268 2.919 . 0 0 "[ . 1 . 2]" 1
396 1 81 VAL H 1 81 VAL HB . . 3.480 2.518 2.443 2.661 . 0 0 "[ . 1 . 2]" 1
397 1 80 ASN HA 1 81 VAL H . . 2.880 2.175 2.143 2.201 . 0 0 "[ . 1 . 2]" 1
398 1 81 VAL H 1 82 LYS H . . 4.890 4.519 4.476 4.555 . 0 0 "[ . 1 . 2]" 1
399 1 81 VAL MG1 1 82 LYS H . . 3.350 2.028 1.873 2.429 . 0 0 "[ . 1 . 2]" 1
400 1 16 TYR HB3 1 82 LYS H . . 4.030 3.049 2.739 3.298 . 0 0 "[ . 1 . 2]" 1
401 1 17 VAL HA 1 82 LYS H . . 4.110 3.805 3.560 4.046 . 0 0 "[ . 1 . 2]" 1
402 1 81 VAL HA 1 82 LYS H . . 2.820 2.211 2.169 2.247 . 0 0 "[ . 1 . 2]" 1
403 1 82 LYS HB2 1 83 TRP H . . 3.900 2.759 2.428 3.057 . 0 0 "[ . 1 . 2]" 1
404 1 82 LYS HB3 1 83 TRP H . . 3.900 3.768 3.580 3.980 0.080 18 0 "[ . 1 . 2]" 1
405 1 83 TRP H 1 83 TRP HB2 . . 3.290 2.252 2.174 2.328 . 0 0 "[ . 1 . 2]" 1
406 1 83 TRP H 1 83 TRP HB3 . . 3.690 3.529 3.484 3.561 . 0 0 "[ . 1 . 2]" 1
407 1 69 PHE HZ 1 83 TRP H . . 4.370 3.195 2.265 4.244 . 0 0 "[ . 1 . 2]" 1
408 1 82 LYS H 1 83 TRP H . . 4.380 4.356 4.281 4.408 0.028 12 0 "[ . 1 . 2]" 1
409 1 12 ILE MG 1 84 GLY H . . 3.790 2.972 2.535 3.305 . 0 0 "[ . 1 . 2]" 1
410 1 83 TRP HA 1 84 GLY H . . 3.080 2.189 2.144 2.273 . 0 0 "[ . 1 . 2]" 1
411 1 15 LEU HA 1 84 GLY H . . 3.340 2.593 2.248 3.048 . 0 0 "[ . 1 . 2]" 1
412 1 83 TRP HE3 1 84 GLY H . . 3.570 2.602 2.248 2.903 . 0 0 "[ . 1 . 2]" 1
413 1 12 ILE MD 1 85 ARG H . . 4.600 4.081 3.548 4.600 . 0 0 "[ . 1 . 2]" 1
414 1 12 ILE MG 1 85 ARG H . . 3.960 3.159 2.273 3.887 . 0 0 "[ . 1 . 2]" 1
415 1 85 ARG H 1 85 ARG HB2 . . 3.910 2.800 2.276 3.695 . 0 0 "[ . 1 . 2]" 1
416 1 85 ARG H 1 85 ARG HB3 . . 3.910 3.020 2.389 3.798 . 0 0 "[ . 1 . 2]" 1
417 1 84 GLY HA3 1 85 ARG H . . 3.240 2.186 2.136 2.328 . 0 0 "[ . 1 . 2]" 1
418 1 14 THR HB 1 85 ARG H . . 4.540 3.308 2.692 4.125 . 0 0 "[ . 1 . 2]" 1
419 1 84 GLY HA2 1 85 ARG H . . 3.280 3.102 2.830 3.284 0.004 17 0 "[ . 1 . 2]" 1
420 1 84 GLY H 1 85 ARG H . . 4.350 4.026 3.801 4.353 0.003 15 0 "[ . 1 . 2]" 1
421 1 9 ASP H 1 10 LYS H . . 4.750 4.004 3.001 4.463 . 0 0 "[ . 1 . 2]" 1
422 1 10 LYS HA 1 12 ILE H . . 4.450 4.259 3.844 4.463 0.013 15 0 "[ . 1 . 2]" 1
423 1 12 ILE HB 1 13 THR H . . 4.550 4.335 4.164 4.417 . 0 0 "[ . 1 . 2]" 1
424 1 12 ILE HB 1 14 THR H . . 4.330 3.842 3.718 4.293 . 0 0 "[ . 1 . 2]" 1
425 1 12 ILE HA 1 14 THR H . . 3.840 3.625 3.380 3.811 . 0 0 "[ . 1 . 2]" 1
426 1 16 TYR H 1 16 TYR QD . . 4.320 3.769 3.687 3.846 . 0 0 "[ . 1 . 2]" 1
427 1 17 VAL H 1 17 VAL MG2 . . 3.630 3.009 2.750 3.094 . 0 0 "[ . 1 . 2]" 1
428 1 17 VAL H 1 17 VAL MG1 . . 4.050 3.895 3.861 3.928 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLY H 1 20 LEU H . . 3.230 2.690 2.430 2.920 . 0 0 "[ . 1 . 2]" 1
430 1 27 THR MG 1 31 ASN HD22 . . 4.160 2.404 2.034 4.179 0.019 11 0 "[ . 1 . 2]" 1
431 1 39 ILE H 1 39 ILE MD . . 4.150 3.687 3.510 3.901 . 0 0 "[ . 1 . 2]" 1
432 1 38 GLU H 1 38 GLU HB3 . . 2.870 2.535 2.399 2.757 . 0 0 "[ . 1 . 2]" 1
433 1 16 TYR HA 1 53 ILE H . . 4.330 3.664 3.270 3.889 . 0 0 "[ . 1 . 2]" 1
434 1 54 GLN HB2 1 55 PHE H . . 4.250 4.168 4.100 4.242 . 0 0 "[ . 1 . 2]" 1
435 1 43 THR MG 1 52 PHE H . . 4.370 4.096 3.933 4.291 . 0 0 "[ . 1 . 2]" 1
436 1 52 PHE QD 1 53 ILE H . . 4.760 4.053 3.780 4.215 . 0 0 "[ . 1 . 2]" 1
437 1 65 ALA HA 1 68 SER H . . 4.050 3.670 3.462 3.802 . 0 0 "[ . 1 . 2]" 1
438 1 72 LEU H 1 72 LEU MD2 . . 4.210 4.055 4.011 4.117 . 0 0 "[ . 1 . 2]" 1
439 1 40 ARG HB3 1 54 GLN HE22 . . 5.170 4.260 3.519 4.976 . 0 0 "[ . 1 . 2]" 1
440 1 54 GLN HB2 1 54 GLN HE22 . . 5.500 4.227 3.401 4.605 . 0 0 "[ . 1 . 2]" 1
441 1 75 ASN HB2 1 75 ASN HD22 . . 4.030 3.438 3.433 3.451 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLU HA 1 29 LEU H . . 3.910 3.637 3.508 3.810 . 0 0 "[ . 1 . 2]" 1
443 1 45 VAL HA 1 46 GLN H . . 3.260 2.190 2.181 2.194 . 0 0 "[ . 1 . 2]" 1
444 1 77 ARG H 1 77 ARG HB2 . . 3.300 3.161 3.022 3.261 . 0 0 "[ . 1 . 2]" 1
445 1 72 LEU HG 1 79 LEU H . . 4.890 4.413 3.901 4.798 . 0 0 "[ . 1 . 2]" 1
446 1 21 GLY H 1 24 ILE H . . 5.180 4.861 4.766 5.009 . 0 0 "[ . 1 . 2]" 1
447 1 69 PHE H 1 81 VAL HB . . 4.900 3.975 3.773 4.228 . 0 0 "[ . 1 . 2]" 1
448 1 69 PHE HZ 1 83 TRP HE1 . . 4.880 3.018 2.358 3.480 . 0 0 "[ . 1 . 2]" 1
449 1 69 PHE QE 1 83 TRP HE1 . . 4.540 3.752 3.393 3.988 . 0 0 "[ . 1 . 2]" 1
450 1 67 LYS H 1 68 SER HG . . 5.090 4.454 3.483 4.942 . 0 0 "[ . 1 . 2]" 1
451 1 65 ALA HA 1 67 LYS H . . 5.200 4.401 4.172 4.602 . 0 0 "[ . 1 . 2]" 1
452 1 63 VAL MG1 1 67 LYS H . . 4.750 4.261 4.139 4.401 . 0 0 "[ . 1 . 2]" 1
453 1 65 ALA H 1 83 TRP HZ2 . . 5.070 4.724 4.461 5.066 . 0 0 "[ . 1 . 2]" 1
454 1 63 VAL HA 1 65 ALA H . . 4.750 4.402 4.147 4.650 . 0 0 "[ . 1 . 2]" 1
455 1 61 ALA MB 1 65 ALA H . . 5.010 4.554 4.482 4.636 . 0 0 "[ . 1 . 2]" 1
456 1 65 ALA H 1 67 LYS HB2 . . 5.470 4.916 4.788 4.997 . 0 0 "[ . 1 . 2]" 1
457 1 63 VAL MG1 1 65 ALA H . . 4.980 4.872 4.645 4.986 0.006 9 0 "[ . 1 . 2]" 1
458 1 62 GLU HG3 1 63 VAL H . . 4.910 4.619 4.475 4.724 . 0 0 "[ . 1 . 2]" 1
459 1 61 ALA HA 1 63 VAL H . . 5.200 4.876 4.645 5.102 . 0 0 "[ . 1 . 2]" 1
460 1 62 GLU H 1 83 TRP HZ2 . . 4.840 4.566 4.247 4.815 . 0 0 "[ . 1 . 2]" 1
461 1 60 ALA H 1 63 VAL MG2 . . 5.310 4.340 3.979 4.565 . 0 0 "[ . 1 . 2]" 1
462 1 60 ALA H 1 61 ALA MB . . 4.450 4.333 4.239 4.416 . 0 0 "[ . 1 . 2]" 1
463 1 60 ALA H 1 61 ALA HA . . 5.400 5.337 5.273 5.414 0.014 15 0 "[ . 1 . 2]" 1
464 1 57 THR MG 1 59 GLN H . . 4.430 4.302 4.178 4.379 . 0 0 "[ . 1 . 2]" 1
465 1 13 THR MG 1 57 THR H . . 4.810 4.341 4.109 4.571 . 0 0 "[ . 1 . 2]" 1
466 1 56 ALA H 1 57 THR MG . . 5.330 4.723 4.585 4.839 . 0 0 "[ . 1 . 2]" 1
467 1 55 PHE H 1 56 ALA H . . 4.660 4.461 4.398 4.511 . 0 0 "[ . 1 . 2]" 1
468 1 39 ILE HG12 1 54 GLN H . . 5.500 5.091 4.759 5.313 . 0 0 "[ . 1 . 2]" 1
469 1 14 THR MG 1 54 GLN H . . 4.580 4.090 3.767 4.277 . 0 0 "[ . 1 . 2]" 1
470 1 53 ILE H 1 54 GLN H . . 4.910 4.402 4.339 4.477 . 0 0 "[ . 1 . 2]" 1
471 1 44 VAL MG2 1 52 PHE H . . 4.110 3.946 3.798 4.120 0.010 19 0 "[ . 1 . 2]" 1
472 1 42 ILE HA 1 52 PHE H . . 5.050 4.234 3.964 4.403 . 0 0 "[ . 1 . 2]" 1
473 1 44 VAL HA 1 51 ALA H . . 4.800 4.537 4.452 4.773 . 0 0 "[ . 1 . 2]" 1
474 1 20 LEU HB3 1 50 CYS H . . 5.500 5.497 5.453 5.517 0.017 9 0 "[ . 1 . 2]" 1
475 1 21 GLY HA2 1 49 GLN HE21 . . 5.160 3.632 2.040 5.150 . 0 0 "[ . 1 . 2]" 1
476 1 59 GLN HE22 1 63 VAL MG2 . . 5.240 4.412 2.497 5.093 . 0 0 "[ . 1 . 2]" 1
477 1 20 LEU MD1 1 45 VAL H . . 4.940 3.665 3.261 3.895 . 0 0 "[ . 1 . 2]" 1
478 1 43 THR HG1 1 44 VAL H . . 5.500 4.996 4.451 5.443 . 0 0 "[ . 1 . 2]" 1
479 1 44 VAL H 1 51 ALA HA . . 5.500 4.409 4.326 4.667 . 0 0 "[ . 1 . 2]" 1
480 1 44 VAL H 1 45 VAL MG2 . . 4.890 4.441 4.287 4.538 . 0 0 "[ . 1 . 2]" 1
481 1 44 VAL H 1 51 ALA MB . . 5.200 4.146 3.918 4.648 . 0 0 "[ . 1 . 2]" 1
482 1 43 THR H 1 43 THR HG1 . . 4.950 2.753 2.361 3.504 . 0 0 "[ . 1 . 2]" 1
483 1 39 ILE MG 1 42 ILE H . . 4.300 4.096 3.896 4.235 . 0 0 "[ . 1 . 2]" 1
484 1 41 THR H 1 54 GLN HA . . 4.650 4.431 4.360 4.560 . 0 0 "[ . 1 . 2]" 1
485 1 41 THR H 1 55 PHE HA . . 5.500 4.501 4.402 4.592 . 0 0 "[ . 1 . 2]" 1
486 1 41 THR H 1 53 ILE HA . . 4.930 4.744 4.604 4.818 . 0 0 "[ . 1 . 2]" 1
487 1 41 THR H 1 54 GLN HB3 . . 3.230 1.989 1.895 2.125 . 0 0 "[ . 1 . 2]" 1
488 1 40 ARG H 1 54 GLN H . . 5.470 4.417 4.205 4.621 . 0 0 "[ . 1 . 2]" 1
489 1 40 ARG H 1 54 GLN HA . . 5.120 4.692 4.482 4.860 . 0 0 "[ . 1 . 2]" 1
490 1 40 ARG H 1 54 GLN HB3 . . 4.880 3.503 3.215 3.669 . 0 0 "[ . 1 . 2]" 1
491 1 40 ARG QD 1 41 THR H . . 4.920 4.734 4.619 4.848 . 0 0 "[ . 1 . 2]" 1
492 1 39 ILE MD 1 40 ARG H . . 5.370 5.365 5.286 5.394 0.024 10 0 "[ . 1 . 2]" 1
493 1 40 ARG H 1 40 ARG QD . . 5.180 4.301 4.169 4.394 . 0 0 "[ . 1 . 2]" 1
494 1 40 ARG H 1 56 ALA HA . . 5.060 4.627 4.460 4.840 . 0 0 "[ . 1 . 2]" 1
495 1 40 ARG H 1 55 PHE QD . . 5.120 4.380 4.179 4.583 . 0 0 "[ . 1 . 2]" 1
496 1 37 GLY H 1 64 ALA MB . . 5.190 5.124 4.947 5.204 0.014 19 0 "[ . 1 . 2]" 1
497 1 35 GLN HA 1 37 GLY H . . 4.640 4.565 4.334 4.645 0.005 15 0 "[ . 1 . 2]" 1
498 1 36 PHE H 1 64 ALA MB . . 4.720 4.546 4.304 4.700 . 0 0 "[ . 1 . 2]" 1
499 1 36 PHE H 1 37 GLY HA2 . . 5.400 5.118 5.057 5.199 . 0 0 "[ . 1 . 2]" 1
500 1 36 PHE H 1 55 PHE QE . . 4.560 4.336 4.139 4.511 . 0 0 "[ . 1 . 2]" 1
501 1 33 PHE QD 1 36 PHE H . . 5.490 5.170 4.967 5.303 . 0 0 "[ . 1 . 2]" 1
502 1 34 TYR H 1 36 PHE H . . 4.960 4.513 4.384 4.648 . 0 0 "[ . 1 . 2]" 1
503 1 30 ARG QG 1 34 TYR H . . 4.750 4.153 3.941 4.298 . 0 0 "[ . 1 . 2]" 1
504 1 30 ARG QB 1 34 TYR H . . 5.500 5.017 4.970 5.091 . 0 0 "[ . 1 . 2]" 1
505 1 34 TYR H 1 39 ILE HG13 . . 5.500 4.120 3.953 4.368 . 0 0 "[ . 1 . 2]" 1
506 1 34 TYR H 1 37 GLY H . . 5.500 5.148 5.031 5.277 . 0 0 "[ . 1 . 2]" 1
507 1 32 HIS H 1 34 TYR H . . 4.550 4.105 3.954 4.235 . 0 0 "[ . 1 . 2]" 1
508 1 33 PHE H 1 33 PHE QE . . 4.940 4.822 4.647 4.951 0.011 16 0 "[ . 1 . 2]" 1
509 1 30 ARG QB 1 32 HIS H . . 4.960 4.687 4.539 4.820 . 0 0 "[ . 1 . 2]" 1
510 1 30 ARG HA 1 32 HIS H . . 5.090 4.684 4.483 4.829 . 0 0 "[ . 1 . 2]" 1
511 1 32 HIS H 1 33 PHE QD . . 4.590 4.440 4.245 4.605 0.015 2 0 "[ . 1 . 2]" 1
512 1 29 LEU HA 1 31 ASN H . . 4.950 4.250 4.041 4.385 . 0 0 "[ . 1 . 2]" 1
513 1 29 LEU H 1 53 ILE MD . . 5.500 5.217 5.003 5.515 0.015 9 0 "[ . 1 . 2]" 1
514 1 27 THR HA 1 29 LEU H . . 4.870 4.343 4.119 4.761 . 0 0 "[ . 1 . 2]" 1
515 1 29 LEU H 1 31 ASN H . . 4.800 4.133 3.955 4.279 . 0 0 "[ . 1 . 2]" 1
516 1 28 ASP H 1 29 LEU HG . . 4.680 4.494 4.328 4.654 . 0 0 "[ . 1 . 2]" 1
517 1 28 ASP H 1 29 LEU HB2 . . 5.500 5.357 5.206 5.477 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLU HA 1 28 ASP H . . 4.900 4.620 4.437 4.791 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLU H 1 28 ASP H . . 4.920 4.327 4.146 4.496 . 0 0 "[ . 1 . 2]" 1
520 1 27 THR H 1 44 VAL MG2 . . 5.020 4.876 4.625 5.030 0.010 10 0 "[ . 1 . 2]" 1
521 1 27 THR H 1 28 ASP HB2 . . 5.270 4.821 4.729 4.891 . 0 0 "[ . 1 . 2]" 1
522 1 25 THR H 1 27 THR H . . 5.500 5.469 5.355 5.509 0.009 16 0 "[ . 1 . 2]" 1
523 1 25 THR HG1 1 26 GLU H . . 3.100 2.882 2.670 3.058 . 0 0 "[ . 1 . 2]" 1
524 1 20 LEU MD2 1 25 THR H . . 5.410 4.915 4.506 5.269 . 0 0 "[ . 1 . 2]" 1
525 1 24 ILE HG13 1 25 THR H . . 5.070 4.930 4.814 5.033 . 0 0 "[ . 1 . 2]" 1
526 1 25 THR H 1 29 LEU H . . 4.920 4.553 4.269 4.857 . 0 0 "[ . 1 . 2]" 1
527 1 22 ASP H 1 24 ILE H . . 4.890 4.558 4.354 4.802 . 0 0 "[ . 1 . 2]" 1
528 1 23 THR H 1 24 ILE HG13 . . 4.750 4.623 4.320 4.752 0.002 6 0 "[ . 1 . 2]" 1
529 1 23 THR H 1 24 ILE HB . . 5.290 5.184 4.884 5.300 0.010 3 0 "[ . 1 . 2]" 1
530 1 21 GLY H 1 24 ILE HB . . 4.870 4.522 4.316 4.631 . 0 0 "[ . 1 . 2]" 1
531 1 20 LEU H 1 24 ILE MD . . 4.610 4.393 4.215 4.611 0.001 11 0 "[ . 1 . 2]" 1
532 1 19 GLY H 1 49 GLN HB3 . . 5.140 3.684 3.314 3.928 . 0 0 "[ . 1 . 2]" 1
533 1 19 GLY H 1 49 GLN HB2 . . 4.770 3.753 3.470 4.054 . 0 0 "[ . 1 . 2]" 1
534 1 18 GLY H 1 81 VAL MG2 . . 4.630 3.518 3.224 3.756 . 0 0 "[ . 1 . 2]" 1
535 1 17 VAL HB 1 18 GLY H . . 4.530 4.200 3.985 4.389 . 0 0 "[ . 1 . 2]" 1
536 1 16 TYR QE 1 18 GLY H . . 3.860 3.024 2.580 3.324 . 0 0 "[ . 1 . 2]" 1
537 1 17 VAL H 1 50 CYS HA . . 4.920 4.594 4.435 4.698 . 0 0 "[ . 1 . 2]" 1
538 1 17 VAL H 1 82 LYS H . . 4.850 4.831 4.731 4.891 0.041 20 0 "[ . 1 . 2]" 1
539 1 17 VAL H 1 53 ILE H . . 5.230 4.717 4.499 5.098 . 0 0 "[ . 1 . 2]" 1
540 1 16 TYR H 1 81 VAL MG1 . . 4.490 3.322 2.875 3.701 . 0 0 "[ . 1 . 2]" 1
541 1 15 LEU HA 1 16 TYR H . . 3.040 2.208 2.141 2.356 . 0 0 "[ . 1 . 2]" 1
542 1 15 LEU H 1 54 GLN HB2 . . 5.190 5.103 4.898 5.197 0.007 5 0 "[ . 1 . 2]" 1
543 1 15 LEU H 1 52 PHE HA . . 4.810 4.309 3.940 4.671 . 0 0 "[ . 1 . 2]" 1
544 1 15 LEU H 1 52 PHE QD . . 5.210 4.151 3.939 4.362 . 0 0 "[ . 1 . 2]" 1
545 1 13 THR MG 1 14 THR H . . 4.250 4.260 4.106 4.300 0.050 18 0 "[ . 1 . 2]" 1
546 1 14 THR H 1 15 LEU HG . . 5.110 4.402 4.231 4.943 . 0 0 "[ . 1 . 2]" 1
547 1 13 THR HB 1 14 THR H . . 4.930 4.466 4.166 4.500 . 0 0 "[ . 1 . 2]" 1
548 1 11 THR HA 1 12 ILE H . . 3.520 2.876 2.724 3.009 . 0 0 "[ . 1 . 2]" 1
549 1 10 LYS HB2 1 11 THR H . . 4.700 3.448 2.043 4.591 . 0 0 "[ . 1 . 2]" 1
550 1 9 ASP HB2 1 10 LYS H . . 5.020 4.001 3.542 4.527 . 0 0 "[ . 1 . 2]" 1
551 1 10 LYS H 1 12 ILE H . . 5.130 3.459 2.808 4.309 . 0 0 "[ . 1 . 2]" 1
552 1 8 GLU H 1 8 GLU QG . . 4.410 3.051 1.899 4.144 . 0 0 "[ . 1 . 2]" 1
553 1 19 GLY H 1 21 GLY H . . 5.310 5.022 4.736 5.206 . 0 0 "[ . 1 . 2]" 1
554 1 19 GLY HA3 1 21 GLY H . . 5.500 5.500 5.472 5.519 0.019 16 0 "[ . 1 . 2]" 1
555 1 20 LEU HB2 1 21 GLY H . . 3.950 2.211 2.060 2.269 . 0 0 "[ . 1 . 2]" 1
556 1 44 VAL MG1 1 50 CYS H . . 4.260 3.907 3.681 4.088 . 0 0 "[ . 1 . 2]" 1
557 1 20 LEU HB2 1 50 CYS H . . 4.710 4.166 4.029 4.307 . 0 0 "[ . 1 . 2]" 1
558 1 44 VAL HA 1 50 CYS H . . 5.060 4.788 4.679 4.959 . 0 0 "[ . 1 . 2]" 1
559 1 18 GLY HA2 1 50 CYS H . . 4.890 4.750 4.385 4.888 . 0 0 "[ . 1 . 2]" 1
560 1 47 ARG H 1 49 GLN H . . 5.300 3.973 3.784 4.142 . 0 0 "[ . 1 . 2]" 1
561 1 21 GLY HA2 1 49 GLN HE22 . . 5.160 4.355 3.509 4.959 . 0 0 "[ . 1 . 2]" 1
562 1 47 ARG H 1 48 GLN H . . 5.370 2.723 2.628 2.827 . 0 0 "[ . 1 . 2]" 1
563 1 15 LEU MD2 1 84 GLY H . . 4.150 3.408 3.087 3.807 . 0 0 "[ . 1 . 2]" 1
564 1 69 PHE QE 1 83 TRP H . . 5.150 3.521 3.044 4.238 . 0 0 "[ . 1 . 2]" 1
565 1 69 PHE HA 1 81 VAL H . . 4.910 3.698 3.437 4.226 . 0 0 "[ . 1 . 2]" 1
566 1 78 ARG H 1 79 LEU H . . 4.660 4.625 4.592 4.642 . 0 0 "[ . 1 . 2]" 1
567 1 79 LEU H 1 80 ASN H . . 4.940 4.360 4.321 4.412 . 0 0 "[ . 1 . 2]" 1
568 1 73 ILE MG 1 78 ARG H . . 4.400 2.688 2.416 3.084 . 0 0 "[ . 1 . 2]" 1
569 1 75 ASN H 1 77 ARG H . . 3.500 4.217 4.146 4.307 0.807 7 20 [******+*****-*******] 1
570 1 75 ASN HB2 1 76 GLY H . . 4.990 4.347 4.277 4.399 . 0 0 "[ . 1 . 2]" 1
571 1 24 ILE HA 1 75 ASN HD21 . . 4.580 2.682 2.256 3.463 . 0 0 "[ . 1 . 2]" 1
572 1 24 ILE HG12 1 75 ASN HD21 . . 4.560 1.988 1.899 2.337 . 0 0 "[ . 1 . 2]" 1
573 1 24 ILE HA 1 75 ASN HD22 . . 4.580 3.138 2.567 4.130 . 0 0 "[ . 1 . 2]" 1
574 1 24 ILE HG12 1 75 ASN HD22 . . 4.560 3.565 3.398 3.913 . 0 0 "[ . 1 . 2]" 1
575 1 74 VAL H 1 75 ASN H . . 5.100 4.541 4.482 4.593 . 0 0 "[ . 1 . 2]" 1
576 1 73 ILE HG12 1 74 VAL H . . 4.930 4.805 4.732 4.875 . 0 0 "[ . 1 . 2]" 1
577 1 72 LEU H 1 73 ILE H . . 4.520 4.258 4.189 4.316 . 0 0 "[ . 1 . 2]" 1
578 1 68 SER HA 1 72 LEU H . . 4.800 2.489 2.290 2.688 . 0 0 "[ . 1 . 2]" 1
579 1 68 SER HA 1 71 LYS H . . 4.580 3.598 3.448 3.774 . 0 0 "[ . 1 . 2]" 1
580 1 67 LYS H 1 69 PHE H . . 5.180 4.086 3.921 4.213 . 0 0 "[ . 1 . 2]" 1
581 1 69 PHE H 1 71 LYS H . . 5.500 4.069 3.951 4.268 . 0 0 "[ . 1 . 2]" 1
582 1 68 SER HG 1 69 PHE H . . 4.910 3.958 2.183 4.751 . 0 0 "[ . 1 . 2]" 1
583 1 68 SER H 1 72 LEU HB3 . . 5.500 5.472 5.295 5.528 0.028 20 0 "[ . 1 . 2]" 1
584 1 65 ALA H 1 67 LYS H . . 4.620 4.004 3.841 4.210 . 0 0 "[ . 1 . 2]" 1
585 1 66 GLU H 1 67 LYS QG . . 4.970 4.853 4.593 4.975 0.005 20 0 "[ . 1 . 2]" 1
586 1 36 PHE QD 1 64 ALA H . . 5.050 3.518 2.829 4.001 . 0 0 "[ . 1 . 2]" 1
587 1 64 ALA H 1 67 LYS HB2 . . 4.720 4.604 4.475 4.703 . 0 0 "[ . 1 . 2]" 1
588 1 61 ALA H 1 63 VAL H . . 4.960 4.537 4.306 4.799 . 0 0 "[ . 1 . 2]" 1
589 1 58 ARG H 1 61 ALA H . . 5.330 5.055 4.962 5.239 . 0 0 "[ . 1 . 2]" 1
590 1 57 THR H 1 61 ALA H . . 4.970 4.819 4.660 4.957 . 0 0 "[ . 1 . 2]" 1
591 1 58 ARG H 1 60 ALA H . . 5.330 5.129 4.944 5.235 . 0 0 "[ . 1 . 2]" 1
592 1 55 PHE HB3 1 60 ALA H . . 5.210 4.248 4.074 4.386 . 0 0 "[ . 1 . 2]" 1
593 1 55 PHE HB2 1 60 ALA H . . 5.280 4.982 4.664 5.171 . 0 0 "[ . 1 . 2]" 1
594 1 40 ARG HA 1 56 ALA H . . 5.220 4.500 4.170 4.644 . 0 0 "[ . 1 . 2]" 1
595 1 13 THR H 1 55 PHE H . . 5.380 5.253 4.982 5.378 . 0 0 "[ . 1 . 2]" 1
596 1 39 ILE HA 1 55 PHE H . . 5.180 4.848 4.701 4.988 . 0 0 "[ . 1 . 2]" 1
597 1 54 GLN HB3 1 55 PHE H . . 4.590 3.804 3.631 3.932 . 0 0 "[ . 1 . 2]" 1
598 1 55 PHE H 1 61 ALA MB . . 4.040 3.865 3.657 4.024 . 0 0 "[ . 1 . 2]" 1
599 1 53 ILE MG 1 55 PHE H . . 4.960 4.797 4.329 4.961 0.001 19 0 "[ . 1 . 2]" 1
600 1 14 THR HA 1 54 GLN H . . 4.830 4.654 4.494 4.786 . 0 0 "[ . 1 . 2]" 1
601 1 40 ARG HB3 1 54 GLN HE21 . . 5.170 3.679 1.940 5.165 . 0 0 "[ . 1 . 2]" 1
602 1 40 ARG QD 1 54 GLN HE22 . . 5.180 3.432 2.807 4.659 . 0 0 "[ . 1 . 2]" 1
603 1 53 ILE H 1 54 GLN HA . . 5.500 5.128 5.031 5.181 . 0 0 "[ . 1 . 2]" 1
604 1 44 VAL H 1 52 PHE H . . 5.290 4.609 4.508 4.828 . 0 0 "[ . 1 . 2]" 1
605 1 51 ALA H 1 52 PHE H . . 5.500 4.261 4.166 4.385 . 0 0 "[ . 1 . 2]" 1
606 1 45 VAL H 1 51 ALA H . . 5.170 4.568 4.382 4.711 . 0 0 "[ . 1 . 2]" 1
607 1 43 THR H 1 52 PHE QD . . 5.120 4.662 4.552 4.770 . 0 0 "[ . 1 . 2]" 1
608 1 38 GLU H 1 56 ALA H . . 5.100 4.661 4.302 5.091 . 0 0 "[ . 1 . 2]" 1
609 1 35 GLN H 1 37 GLY H . . 5.280 4.370 4.122 4.525 . 0 0 "[ . 1 . 2]" 1
610 1 33 PHE H 1 36 PHE H . . 5.500 5.321 5.253 5.366 . 0 0 "[ . 1 . 2]" 1
611 1 28 ASP HA 1 30 ARG H . . 5.440 4.937 4.667 5.210 . 0 0 "[ . 1 . 2]" 1
612 1 25 THR HG1 1 28 ASP H . . 4.700 2.034 1.900 2.275 . 0 0 "[ . 1 . 2]" 1
613 1 21 GLY HA3 1 24 ILE H . . 4.920 3.772 3.651 3.850 . 0 0 "[ . 1 . 2]" 1
614 1 18 GLY H 1 20 LEU HG . . 5.500 5.116 4.621 5.504 0.004 20 0 "[ . 1 . 2]" 1
615 1 18 GLY H 1 79 LEU HB2 . . 5.500 4.933 4.534 5.422 . 0 0 "[ . 1 . 2]" 1
616 1 18 GLY H 1 80 ASN HA . . 5.180 4.670 4.383 4.885 . 0 0 "[ . 1 . 2]" 1
617 1 17 VAL H 1 50 CYS HB2 . . 5.170 3.489 3.352 4.598 . 0 0 "[ . 1 . 2]" 1
618 1 12 ILE H 1 58 ARG HG2 . . 5.500 5.349 4.926 5.509 0.009 4 0 "[ . 1 . 2]" 1
619 1 16 TYR QE 1 80 ASN H . . 5.380 4.858 4.608 5.160 . 0 0 "[ . 1 . 2]" 1
620 1 69 PHE HA 1 81 VAL MG1 . . 3.790 3.653 3.407 3.800 0.010 18 0 "[ . 1 . 2]" 1
621 1 10 LYS HA 1 10 LYS HG2 . . 4.150 2.998 2.201 4.193 0.043 9 0 "[ . 1 . 2]" 1
622 1 10 LYS HA 1 10 LYS QD . . 4.060 3.362 1.984 4.206 0.146 13 0 "[ . 1 . 2]" 1
623 1 11 THR HA 1 11 THR MG . . 2.970 2.303 2.098 2.429 . 0 0 "[ . 1 . 2]" 1
624 1 12 ILE HA 1 13 THR MG . . 4.710 3.764 3.612 3.915 . 0 0 "[ . 1 . 2]" 1
625 1 12 ILE HA 1 12 ILE MG . . 3.260 2.330 2.252 2.413 . 0 0 "[ . 1 . 2]" 1
626 1 12 ILE HA 1 12 ILE HG12 . . 3.810 2.559 2.470 2.630 . 0 0 "[ . 1 . 2]" 1
627 1 12 ILE HA 1 12 ILE HG13 . . 3.810 3.068 2.940 3.317 . 0 0 "[ . 1 . 2]" 1
628 1 12 ILE HA 1 13 THR H . . 2.970 2.160 2.138 2.210 . 0 0 "[ . 1 . 2]" 1
629 1 12 ILE H 1 12 ILE HG13 . . 3.500 2.157 2.014 2.267 . 0 0 "[ . 1 . 2]" 1
630 1 12 ILE MG 1 83 TRP HZ3 . . 4.080 3.192 2.823 3.502 . 0 0 "[ . 1 . 2]" 1
631 1 12 ILE MG 1 83 TRP HE3 . . 3.390 2.410 2.158 2.666 . 0 0 "[ . 1 . 2]" 1
632 1 12 ILE MG 1 13 THR H . . 3.790 2.917 2.615 3.267 . 0 0 "[ . 1 . 2]" 1
633 1 12 ILE MD 1 12 ILE MG . . 2.870 1.994 1.887 2.182 . 0 0 "[ . 1 . 2]" 1
634 1 12 ILE HB 1 12 ILE MD . . 3.400 2.391 2.268 2.591 . 0 0 "[ . 1 . 2]" 1
635 1 9 ASP HB3 1 12 ILE MD . . 4.230 2.600 1.973 3.906 . 0 0 "[ . 1 . 2]" 1
636 1 9 ASP HB2 1 12 ILE MD . . 4.230 3.173 2.049 4.260 0.030 6 0 "[ . 1 . 2]" 1
637 1 12 ILE HA 1 12 ILE MD . . 4.050 3.832 3.707 3.875 . 0 0 "[ . 1 . 2]" 1
638 1 12 ILE H 1 12 ILE MD . . 4.080 3.612 3.464 3.808 . 0 0 "[ . 1 . 2]" 1
639 1 20 LEU H 1 20 LEU HB3 . . 4.190 3.592 3.568 3.621 . 0 0 "[ . 1 . 2]" 1
640 1 20 LEU HB2 1 20 LEU MD1 . . 3.250 2.359 2.257 2.488 . 0 0 "[ . 1 . 2]" 1
641 1 20 LEU H 1 20 LEU HB2 . . 3.860 2.402 2.319 2.488 . 0 0 "[ . 1 . 2]" 1
642 1 20 LEU HA 1 20 LEU HG . . 3.970 3.145 3.032 3.230 . 0 0 "[ . 1 . 2]" 1
643 1 20 LEU H 1 20 LEU MD2 . . 3.630 3.436 3.141 3.626 . 0 0 "[ . 1 . 2]" 1
644 1 20 LEU H 1 20 LEU MD1 . . 3.980 3.788 3.598 3.938 . 0 0 "[ . 1 . 2]" 1
645 1 23 THR HA 1 23 THR MG . . 3.040 2.309 2.161 2.423 . 0 0 "[ . 1 . 2]" 1
646 1 11 THR H 1 11 THR MG . . 3.430 2.805 2.298 3.582 0.152 17 0 "[ . 1 . 2]" 1
647 1 24 ILE HA 1 24 ILE MG . . 3.000 2.326 2.267 2.430 . 0 0 "[ . 1 . 2]" 1
648 1 24 ILE HA 1 24 ILE HG12 . . 3.410 2.606 2.531 2.689 . 0 0 "[ . 1 . 2]" 1
649 1 24 ILE HA 1 24 ILE HG13 . . 3.750 2.982 2.870 3.078 . 0 0 "[ . 1 . 2]" 1
650 1 20 LEU HB3 1 24 ILE HB . . 3.510 2.699 2.447 2.940 . 0 0 "[ . 1 . 2]" 1
651 1 24 ILE H 1 24 ILE HG12 . . 3.950 3.723 3.490 3.892 . 0 0 "[ . 1 . 2]" 1
652 1 20 LEU MD2 1 24 ILE MG . . 2.800 2.102 1.877 2.287 . 0 0 "[ . 1 . 2]" 1
653 1 24 ILE HG12 1 24 ILE MG . . 3.330 2.318 2.224 2.382 . 0 0 "[ . 1 . 2]" 1
654 1 20 LEU HB3 1 24 ILE MG . . 3.550 3.195 2.842 3.489 . 0 0 "[ . 1 . 2]" 1
655 1 24 ILE H 1 24 ILE MG . . 4.180 3.807 3.771 3.834 . 0 0 "[ . 1 . 2]" 1
656 1 24 ILE HA 1 24 ILE MD . . 3.890 3.862 3.825 3.888 . 0 0 "[ . 1 . 2]" 1
657 1 25 THR HA 1 25 THR MG . . 3.090 2.401 2.347 2.489 . 0 0 "[ . 1 . 2]" 1
658 1 25 THR HA 1 26 GLU H . . 3.260 2.599 2.517 2.648 . 0 0 "[ . 1 . 2]" 1
659 1 26 GLU HB2 1 44 VAL MG2 . . 3.830 1.987 1.890 2.148 . 0 0 "[ . 1 . 2]" 1
660 1 26 GLU HB3 1 44 VAL MG2 . . 3.830 3.452 3.277 3.549 . 0 0 "[ . 1 . 2]" 1
661 1 26 GLU H 1 26 GLU HB3 . . 3.660 2.437 2.317 2.571 . 0 0 "[ . 1 . 2]" 1
662 1 26 GLU HA 1 26 GLU QG . . 3.320 2.516 2.354 2.879 . 0 0 "[ . 1 . 2]" 1
663 1 27 THR MG 1 31 ASN HD21 . . 4.160 1.954 1.776 2.759 . 0 0 "[ . 1 . 2]" 1
664 1 29 LEU HA 1 29 LEU MD1 . . 4.170 3.959 3.921 3.999 . 0 0 "[ . 1 . 2]" 1
665 1 29 LEU HA 1 29 LEU HG . . 3.690 3.143 3.044 3.285 . 0 0 "[ . 1 . 2]" 1
666 1 29 LEU HA 1 32 HIS HB3 . . 4.110 2.389 2.043 2.564 . 0 0 "[ . 1 . 2]" 1
667 1 26 GLU HA 1 29 LEU HB2 . . 4.020 3.441 3.249 3.664 . 0 0 "[ . 1 . 2]" 1
668 1 29 LEU HB2 1 30 ARG HA . . 4.560 3.994 3.948 4.050 . 0 0 "[ . 1 . 2]" 1
669 1 29 LEU HB3 1 30 ARG HA . . 4.660 4.562 4.482 4.681 0.021 16 0 "[ . 1 . 2]" 1
670 1 29 LEU HB3 1 30 ARG H . . 4.230 3.619 3.434 3.781 . 0 0 "[ . 1 . 2]" 1
671 1 27 THR HA 1 27 THR MG . . 3.140 2.409 2.306 2.548 . 0 0 "[ . 1 . 2]" 1
672 1 27 THR HA 1 30 ARG QB . . 3.240 2.271 2.137 2.403 . 0 0 "[ . 1 . 2]" 1
673 1 10 LYS HA 1 11 THR HA . . 4.770 4.503 4.409 4.574 . 0 0 "[ . 1 . 2]" 1
674 1 10 LYS HA 1 10 LYS HG3 . . 4.150 3.453 2.228 3.979 . 0 0 "[ . 1 . 2]" 1
675 1 10 LYS H 1 10 LYS QD . . 4.730 3.887 1.871 4.688 . 0 0 "[ . 1 . 2]" 1
676 1 10 LYS QD 1 11 THR H . . 5.290 4.221 2.248 5.273 . 0 0 "[ . 1 . 2]" 1
677 1 11 THR HB 1 12 ILE H . . 4.610 4.407 4.254 4.459 . 0 0 "[ . 1 . 2]" 1
678 1 13 THR H 1 13 THR MG . . 3.730 2.506 2.360 2.715 . 0 0 "[ . 1 . 2]" 1
679 1 13 THR HA 1 13 THR MG . . 3.120 2.426 2.323 2.475 . 0 0 "[ . 1 . 2]" 1
680 1 13 THR MG 1 58 ARG HA . . 3.160 2.169 1.975 2.453 . 0 0 "[ . 1 . 2]" 1
681 1 13 THR MG 1 61 ALA MB . . 3.740 3.222 3.041 3.393 . 0 0 "[ . 1 . 2]" 1
682 1 14 THR HA 1 14 THR MG . . 3.260 2.302 2.199 2.383 . 0 0 "[ . 1 . 2]" 1
683 1 14 THR HA 1 54 GLN HA . . 3.110 2.194 2.090 2.264 . 0 0 "[ . 1 . 2]" 1
684 1 14 THR MG 1 15 LEU H . . 3.360 1.998 1.876 2.135 . 0 0 "[ . 1 . 2]" 1
685 1 14 THR H 1 14 THR MG . . 4.150 3.918 3.799 3.958 . 0 0 "[ . 1 . 2]" 1
686 1 15 LEU HA 1 83 TRP HA . . 3.770 2.825 2.637 2.992 . 0 0 "[ . 1 . 2]" 1
687 1 15 LEU H 1 15 LEU HG . . 3.850 3.453 3.250 3.550 . 0 0 "[ . 1 . 2]" 1
688 1 15 LEU H 1 15 LEU MD1 . . 4.270 4.026 3.946 4.126 . 0 0 "[ . 1 . 2]" 1
689 1 15 LEU MD2 1 16 TYR H . . 3.830 3.145 2.715 3.483 . 0 0 "[ . 1 . 2]" 1
690 1 15 LEU MD2 1 83 TRP HE3 . . 3.780 2.839 2.524 3.009 . 0 0 "[ . 1 . 2]" 1
691 1 15 LEU HA 1 15 LEU MD2 . . 3.250 2.202 2.030 2.417 . 0 0 "[ . 1 . 2]" 1
692 1 15 LEU HB3 1 15 LEU MD2 . . 3.330 2.239 2.100 2.328 . 0 0 "[ . 1 . 2]" 1
693 1 16 TYR HA 1 16 TYR QD . . 3.990 3.309 3.232 3.354 . 0 0 "[ . 1 . 2]" 1
694 1 16 TYR H 1 16 TYR HB2 . . 3.530 3.148 3.024 3.325 . 0 0 "[ . 1 . 2]" 1
695 1 16 TYR QD 1 17 VAL HA . . 4.280 3.219 3.021 3.507 . 0 0 "[ . 1 . 2]" 1
696 1 17 VAL HA 1 17 VAL MG2 . . 3.310 2.346 2.275 2.456 . 0 0 "[ . 1 . 2]" 1
697 1 17 VAL MG2 1 82 LYS H . . 4.170 3.965 3.712 4.173 0.003 8 0 "[ . 1 . 2]" 1
698 1 17 VAL HA 1 17 VAL MG1 . . 3.210 2.430 2.326 2.474 . 0 0 "[ . 1 . 2]" 1
699 1 17 VAL MG1 1 81 VAL HA . . 4.390 3.849 3.551 4.115 . 0 0 "[ . 1 . 2]" 1
700 1 17 VAL MG1 1 51 ALA H . . 4.640 3.840 3.569 4.059 . 0 0 "[ . 1 . 2]" 1
701 1 16 TYR QE 1 18 GLY HA2 . . 4.110 3.935 3.712 4.096 . 0 0 "[ . 1 . 2]" 1
702 1 18 GLY HA3 1 19 GLY H . . 3.570 2.621 2.507 2.835 . 0 0 "[ . 1 . 2]" 1
703 1 18 GLY HA3 1 50 CYS HA . . 4.140 4.019 3.741 4.150 0.010 16 0 "[ . 1 . 2]" 1
704 1 20 LEU HB2 1 24 ILE MG . . 4.860 4.637 4.375 4.850 . 0 0 "[ . 1 . 2]" 1
705 1 20 LEU HB2 1 24 ILE HB . . 4.540 4.158 3.935 4.338 . 0 0 "[ . 1 . 2]" 1
706 1 20 LEU HB3 1 20 LEU MD1 . . 3.210 2.326 2.184 2.447 . 0 0 "[ . 1 . 2]" 1
707 1 21 GLY HA2 1 49 GLN QG . . 4.530 2.883 2.235 3.503 . 0 0 "[ . 1 . 2]" 1
708 1 24 ILE HA 1 25 THR HA . . 4.470 4.413 4.389 4.446 . 0 0 "[ . 1 . 2]" 1
709 1 26 GLU QG 1 44 VAL MG2 . . 3.310 2.276 1.897 3.088 . 0 0 "[ . 1 . 2]" 1
710 1 26 GLU H 1 26 GLU QG . . 4.000 3.976 3.910 4.040 0.040 12 0 "[ . 1 . 2]" 1
711 1 29 LEU HA 1 29 LEU MD2 . . 4.170 2.333 2.094 2.477 . 0 0 "[ . 1 . 2]" 1
712 1 29 LEU HB3 1 29 LEU MD1 . . 3.280 2.510 2.405 2.612 . 0 0 "[ . 1 . 2]" 1
713 1 29 LEU HB3 1 29 LEU MD2 . . 3.280 2.232 2.129 2.388 . 0 0 "[ . 1 . 2]" 1
714 1 29 LEU HB2 1 29 LEU MD2 . . 3.410 3.171 3.135 3.193 . 0 0 "[ . 1 . 2]" 1
715 1 29 LEU H 1 29 LEU MD2 . . 3.740 3.320 3.002 3.540 . 0 0 "[ . 1 . 2]" 1
716 1 30 ARG HA 1 30 ARG QG . . 3.200 2.459 2.334 2.546 . 0 0 "[ . 1 . 2]" 1
717 1 30 ARG QB 1 30 ARG HD2 . . 3.510 2.490 2.112 3.283 . 0 0 "[ . 1 . 2]" 1
718 1 30 ARG QB 1 30 ARG HD3 . . 3.510 2.684 2.178 3.279 . 0 0 "[ . 1 . 2]" 1
719 1 33 PHE HA 1 33 PHE QD . . 3.600 2.716 2.543 2.918 . 0 0 "[ . 1 . 2]" 1
720 1 33 PHE HB2 1 55 PHE HZ . . 3.680 3.635 3.605 3.684 0.004 17 0 "[ . 1 . 2]" 1
721 1 33 PHE HB3 1 55 PHE HZ . . 3.910 1.996 1.984 2.004 . 0 0 "[ . 1 . 2]" 1
722 1 33 PHE H 1 33 PHE HB3 . . 3.760 3.602 3.573 3.619 . 0 0 "[ . 1 . 2]" 1
723 1 34 TYR HA 1 34 TYR QD . . 4.080 2.882 2.814 2.960 . 0 0 "[ . 1 . 2]" 1
724 1 35 GLN HA 1 35 GLN HB2 . . 2.850 2.379 2.348 2.438 . 0 0 "[ . 1 . 2]" 1
725 1 35 GLN H 1 35 GLN HB3 . . 3.820 2.367 2.283 2.471 . 0 0 "[ . 1 . 2]" 1
726 1 35 GLN H 1 35 GLN HB2 . . 3.960 3.570 3.547 3.588 . 0 0 "[ . 1 . 2]" 1
727 1 35 GLN HA 1 35 GLN HG3 . . 4.230 3.674 3.614 3.833 . 0 0 "[ . 1 . 2]" 1
728 1 35 GLN H 1 35 GLN HG3 . . 4.140 3.579 3.467 3.688 . 0 0 "[ . 1 . 2]" 1
729 1 36 PHE HA 1 36 PHE QD . . 3.160 2.579 2.272 3.084 . 0 0 "[ . 1 . 2]" 1
730 1 36 PHE HB2 1 55 PHE QE . . 4.030 2.815 2.552 3.014 . 0 0 "[ . 1 . 2]" 1
731 1 37 GLY HA3 1 60 ALA MB . . 3.240 2.006 1.883 2.105 . 0 0 "[ . 1 . 2]" 1
732 1 37 GLY HA2 1 60 ALA MB . . 3.480 3.434 3.270 3.487 0.007 10 0 "[ . 1 . 2]" 1
733 1 38 GLU HA 1 38 GLU HG2 . . 3.780 3.473 3.106 3.791 0.011 5 0 "[ . 1 . 2]" 1
734 1 38 GLU HB3 1 56 ALA MB . . 3.430 2.548 2.245 2.751 . 0 0 "[ . 1 . 2]" 1
735 1 38 GLU HB2 1 56 ALA MB . . 4.180 3.921 3.589 4.119 . 0 0 "[ . 1 . 2]" 1
736 1 38 GLU H 1 38 GLU HB2 . . 3.480 2.602 2.335 2.893 . 0 0 "[ . 1 . 2]" 1
737 1 38 GLU H 1 38 GLU HG2 . . 4.690 4.510 4.348 4.637 . 0 0 "[ . 1 . 2]" 1
738 1 38 GLU HA 1 38 GLU HG3 . . 3.780 2.598 2.369 2.916 . 0 0 "[ . 1 . 2]" 1
739 1 38 GLU H 1 38 GLU HG3 . . 4.690 4.479 4.423 4.535 . 0 0 "[ . 1 . 2]" 1
740 1 39 ILE HA 1 39 ILE HG12 . . 3.540 2.650 2.600 2.716 . 0 0 "[ . 1 . 2]" 1
741 1 39 ILE HA 1 39 ILE HG13 . . 3.650 2.866 2.781 2.959 . 0 0 "[ . 1 . 2]" 1
742 1 39 ILE HG13 1 39 ILE MG . . 3.580 3.187 3.174 3.197 . 0 0 "[ . 1 . 2]" 1
743 1 39 ILE HA 1 39 ILE MG . . 3.270 2.378 2.329 2.437 . 0 0 "[ . 1 . 2]" 1
744 1 39 ILE MG 1 40 ARG H . . 3.460 2.937 2.690 3.051 . 0 0 "[ . 1 . 2]" 1
745 1 39 ILE MG 1 54 GLN H . . 3.870 2.758 2.519 2.997 . 0 0 "[ . 1 . 2]" 1
746 1 39 ILE MD 1 39 ILE MG . . 3.000 2.122 1.941 2.230 . 0 0 "[ . 1 . 2]" 1
747 1 39 ILE HB 1 39 ILE MD . . 3.090 2.299 2.226 2.393 . 0 0 "[ . 1 . 2]" 1
748 1 33 PHE HB3 1 39 ILE MD . . 3.510 2.814 2.589 3.199 . 0 0 "[ . 1 . 2]" 1
749 1 34 TYR HB3 1 39 ILE MD . . 4.000 2.966 2.843 3.179 . 0 0 "[ . 1 . 2]" 1
750 1 34 TYR HB2 1 39 ILE MD . . 4.000 2.011 1.966 2.151 . 0 0 "[ . 1 . 2]" 1
751 1 33 PHE HB2 1 39 ILE MD . . 3.550 2.125 1.977 2.551 . 0 0 "[ . 1 . 2]" 1
752 1 34 TYR HA 1 39 ILE MD . . 3.420 2.095 1.969 2.486 . 0 0 "[ . 1 . 2]" 1
753 1 34 TYR H 1 39 ILE MD . . 3.630 2.205 2.077 2.399 . 0 0 "[ . 1 . 2]" 1
754 1 40 ARG HB3 1 40 ARG QD . . 3.890 2.216 2.063 2.305 . 0 0 "[ . 1 . 2]" 1
755 1 40 ARG HB2 1 56 ALA HA . . 4.260 4.215 4.108 4.278 0.018 9 0 "[ . 1 . 2]" 1
756 1 40 ARG HA 1 40 ARG HG3 . . 3.760 3.054 2.898 3.149 . 0 0 "[ . 1 . 2]" 1
757 1 40 ARG QD 1 56 ALA HA . . 3.610 2.827 2.357 3.394 . 0 0 "[ . 1 . 2]" 1
758 1 40 ARG HA 1 40 ARG QD . . 3.870 3.862 3.689 3.963 0.093 20 0 "[ . 1 . 2]" 1
759 1 39 ILE MG 1 41 THR HA . . 4.150 3.181 3.059 3.324 . 0 0 "[ . 1 . 2]" 1
760 1 41 THR HA 1 41 THR MG . . 3.260 3.189 3.168 3.201 . 0 0 "[ . 1 . 2]" 1
761 1 40 ARG HB3 1 41 THR HA . . 4.990 4.708 4.665 4.758 . 0 0 "[ . 1 . 2]" 1
762 1 41 THR MG 1 54 GLN HB2 . . 3.700 2.359 2.094 2.616 . 0 0 "[ . 1 . 2]" 1
763 1 41 THR MG 1 54 GLN HB3 . . 4.100 2.196 1.992 2.422 . 0 0 "[ . 1 . 2]" 1
764 1 26 GLU QG 1 42 ILE HB . . 3.520 3.095 2.854 3.338 . 0 0 "[ . 1 . 2]" 1
765 1 42 ILE HA 1 42 ILE MG . . 3.330 2.422 2.306 2.470 . 0 0 "[ . 1 . 2]" 1
766 1 42 ILE MD 1 53 ILE MG . . 3.620 2.874 2.595 3.307 . 0 0 "[ . 1 . 2]" 1
767 1 30 ARG HA 1 42 ILE MD . . 3.330 1.927 1.842 2.097 . 0 0 "[ . 1 . 2]" 1
768 1 42 ILE MD 1 53 ILE HA . . 4.030 3.974 3.725 4.037 0.007 19 0 "[ . 1 . 2]" 1
769 1 42 ILE HA 1 42 ILE MD . . 4.010 3.838 3.815 3.885 . 0 0 "[ . 1 . 2]" 1
770 1 43 THR HB 1 52 PHE QB . . 3.090 2.275 2.057 2.515 . 0 0 "[ . 1 . 2]" 1
771 1 43 THR HB 1 52 PHE QD . . 3.830 3.112 2.930 3.356 . 0 0 "[ . 1 . 2]" 1
772 1 43 THR H 1 43 THR HB . . 3.250 2.601 2.528 2.662 . 0 0 "[ . 1 . 2]" 1
773 1 43 THR HA 1 43 THR MG . . 3.050 2.340 2.231 2.434 . 0 0 "[ . 1 . 2]" 1
774 1 43 THR MG 1 44 VAL H . . 3.590 3.155 2.418 3.298 . 0 0 "[ . 1 . 2]" 1
775 1 43 THR MG 1 52 PHE QD . . 4.050 3.534 3.157 3.740 . 0 0 "[ . 1 . 2]" 1
776 1 43 THR H 1 43 THR MG . . 4.050 3.832 3.807 3.860 . 0 0 "[ . 1 . 2]" 1
777 1 43 THR HA 1 44 VAL HB . . 4.880 4.706 4.675 4.761 . 0 0 "[ . 1 . 2]" 1
778 1 44 VAL HA 1 44 VAL MG1 . . 3.050 2.386 2.285 2.466 . 0 0 "[ . 1 . 2]" 1
779 1 44 VAL MG1 1 45 VAL H . . 3.380 2.993 2.473 3.173 . 0 0 "[ . 1 . 2]" 1
780 1 44 VAL HA 1 44 VAL MG2 . . 3.090 2.363 2.307 2.469 . 0 0 "[ . 1 . 2]" 1
781 1 45 VAL HA 1 45 VAL MG1 . . 3.000 2.313 2.169 2.426 . 0 0 "[ . 1 . 2]" 1
782 1 45 VAL MG1 1 48 GLN H . . 3.320 2.125 1.842 2.465 . 0 0 "[ . 1 . 2]" 1
783 1 45 VAL MG1 1 47 ARG H . . 4.200 2.538 2.051 2.945 . 0 0 "[ . 1 . 2]" 1
784 1 45 VAL HA 1 45 VAL MG2 . . 3.150 2.412 2.272 2.557 . 0 0 "[ . 1 . 2]" 1
785 1 46 GLN HA 1 49 GLN H . . 4.000 3.088 2.793 3.221 . 0 0 "[ . 1 . 2]" 1
786 1 46 GLN H 1 46 GLN QB . . 3.700 2.373 2.140 2.651 . 0 0 "[ . 1 . 2]" 1
787 1 46 GLN HA 1 46 GLN QG . . 3.380 2.910 2.322 3.421 0.041 13 0 "[ . 1 . 2]" 1
788 1 48 GLN H 1 48 GLN HB2 . . 4.150 2.481 2.373 2.614 . 0 0 "[ . 1 . 2]" 1
789 1 48 GLN HA 1 48 GLN HG2 . . 3.740 2.525 2.159 2.945 . 0 0 "[ . 1 . 2]" 1
790 1 48 GLN H 1 48 GLN HG2 . . 4.320 3.751 3.100 4.325 0.005 12 0 "[ . 1 . 2]" 1
791 1 21 GLY H 1 49 GLN HB2 . . 4.760 3.999 3.634 4.246 . 0 0 "[ . 1 . 2]" 1
792 1 49 GLN HA 1 49 GLN QG . . 3.320 2.537 2.347 3.032 . 0 0 "[ . 1 . 2]" 1
793 1 20 LEU MD1 1 50 CYS HA . . 3.360 2.599 2.268 2.808 . 0 0 "[ . 1 . 2]" 1
794 1 20 LEU HG 1 50 CYS HA . . 3.400 2.269 1.997 2.579 . 0 0 "[ . 1 . 2]" 1
795 1 18 GLY HA2 1 50 CYS HA . . 3.460 2.282 1.997 2.422 . 0 0 "[ . 1 . 2]" 1
796 1 18 GLY HA2 1 50 CYS HB2 . . 4.000 3.106 2.741 3.581 . 0 0 "[ . 1 . 2]" 1
797 1 18 GLY HA2 1 50 CYS HB3 . . 4.000 2.748 2.257 3.125 . 0 0 "[ . 1 . 2]" 1
798 1 44 VAL HA 1 51 ALA HA . . 3.060 2.049 1.995 2.211 . 0 0 "[ . 1 . 2]" 1
799 1 45 VAL H 1 51 ALA HA . . 3.660 2.823 2.645 3.033 . 0 0 "[ . 1 . 2]" 1
800 1 16 TYR HA 1 52 PHE HA . . 3.590 2.569 2.404 2.715 . 0 0 "[ . 1 . 2]" 1
801 1 52 PHE HA 1 52 PHE QD . . 3.890 2.803 2.559 2.931 . 0 0 "[ . 1 . 2]" 1
802 1 53 ILE HA 1 53 ILE QG . . 3.210 2.834 2.201 3.060 . 0 0 "[ . 1 . 2]" 1
803 1 42 ILE HA 1 53 ILE HA . . 3.520 2.770 2.644 2.894 . 0 0 "[ . 1 . 2]" 1
804 1 39 ILE HG12 1 53 ILE MG . . 3.200 2.717 2.553 2.856 . 0 0 "[ . 1 . 2]" 1
805 1 53 ILE QG 1 53 ILE MG . . 2.790 2.304 1.950 2.431 . 0 0 "[ . 1 . 2]" 1
806 1 53 ILE HA 1 53 ILE MG . . 3.260 2.285 2.125 2.506 . 0 0 "[ . 1 . 2]" 1
807 1 53 ILE HB 1 53 ILE MD . . 3.420 2.968 2.204 3.223 . 0 0 "[ . 1 . 2]" 1
808 1 41 THR H 1 54 GLN HB2 . . 4.050 3.472 3.257 3.680 . 0 0 "[ . 1 . 2]" 1
809 1 40 ARG HB3 1 54 GLN HG2 . . 3.550 2.868 2.623 3.129 . 0 0 "[ . 1 . 2]" 1
810 1 13 THR HB 1 55 PHE HB3 . . 4.300 3.913 3.687 4.150 . 0 0 "[ . 1 . 2]" 1
811 1 55 PHE HB2 1 56 ALA H . . 4.200 3.923 3.765 4.068 . 0 0 "[ . 1 . 2]" 1
812 1 40 ARG HG3 1 56 ALA HA . . 2.850 2.017 1.993 2.073 . 0 0 "[ . 1 . 2]" 1
813 1 58 ARG HA 1 58 ARG HD3 . . 3.580 3.128 2.229 3.563 . 0 0 "[ . 1 . 2]" 1
814 1 58 ARG HB2 1 59 GLN H . . 4.040 4.007 3.927 4.058 0.018 18 0 "[ . 1 . 2]" 1
815 1 13 THR MG 1 58 ARG HB3 . . 3.910 3.509 3.259 3.679 . 0 0 "[ . 1 . 2]" 1
816 1 58 ARG HA 1 58 ARG HD2 . . 3.580 2.442 2.115 3.596 0.016 14 0 "[ . 1 . 2]" 1
817 1 59 GLN HA 1 59 GLN QG . . 3.270 2.552 2.250 2.858 . 0 0 "[ . 1 . 2]" 1
818 1 60 ALA HA 1 63 VAL HB . . 3.630 2.956 2.848 3.080 . 0 0 "[ . 1 . 2]" 1
819 1 36 PHE HB3 1 60 ALA MB . . 3.780 2.764 2.411 3.115 . 0 0 "[ . 1 . 2]" 1
820 1 55 PHE HB3 1 60 ALA MB . . 3.470 2.630 2.394 2.817 . 0 0 "[ . 1 . 2]" 1
821 1 55 PHE QD 1 60 ALA MB . . 3.440 2.276 2.075 2.518 . 0 0 "[ . 1 . 2]" 1
822 1 13 THR HA 1 61 ALA MB . . 3.260 2.230 2.174 2.267 . 0 0 "[ . 1 . 2]" 1
823 1 62 GLU HB2 1 63 VAL MG2 . . 4.070 3.389 3.191 3.511 . 0 0 "[ . 1 . 2]" 1
824 1 59 GLN HA 1 62 GLU HB2 . . 3.760 3.337 3.130 3.507 . 0 0 "[ . 1 . 2]" 1
825 1 63 VAL HA 1 63 VAL MG2 . . 2.920 2.418 2.352 2.479 . 0 0 "[ . 1 . 2]" 1
826 1 36 PHE QE 1 64 ALA HA . . 4.360 2.767 2.462 3.153 . 0 0 "[ . 1 . 2]" 1
827 1 36 PHE QD 1 64 ALA HA . . 4.270 3.424 3.119 3.633 . 0 0 "[ . 1 . 2]" 1
828 1 64 ALA H 1 64 ALA MB . . 2.890 2.163 2.025 2.234 . 0 0 "[ . 1 . 2]" 1
829 1 65 ALA MB 1 66 GLU H . . 3.280 2.153 1.921 2.488 . 0 0 "[ . 1 . 2]" 1
830 1 66 GLU H 1 66 GLU HB2 . . 3.620 2.385 2.215 2.615 . 0 0 "[ . 1 . 2]" 1
831 1 67 LYS QG 1 71 LYS QE . . 3.620 2.943 2.356 3.493 . 0 0 "[ . 1 . 2]" 1
832 1 67 LYS HA 1 67 LYS QG . . 3.640 2.171 2.139 2.211 . 0 0 "[ . 1 . 2]" 1
833 1 67 LYS H 1 67 LYS QG . . 3.550 2.916 2.766 3.109 . 0 0 "[ . 1 . 2]" 1
834 1 67 LYS QD 1 71 LYS QE . . 3.850 3.344 2.607 3.795 . 0 0 "[ . 1 . 2]" 1
835 1 67 LYS HE3 1 67 LYS QG . . 3.650 2.561 2.057 3.386 . 0 0 "[ . 1 . 2]" 1
836 1 34 TYR HA 1 39 ILE HG13 . . 4.190 2.386 2.245 2.573 . 0 0 "[ . 1 . 2]" 1
837 1 68 SER H 1 68 SER HB2 . . 3.940 2.968 2.412 3.775 . 0 0 "[ . 1 . 2]" 1
838 1 69 PHE HA 1 81 VAL HB . . 3.480 2.798 2.536 3.091 . 0 0 "[ . 1 . 2]" 1
839 1 69 PHE HA 1 69 PHE QD . . 3.370 2.394 2.065 2.556 . 0 0 "[ . 1 . 2]" 1
840 1 71 LYS HA 1 71 LYS HG2 . . 3.770 2.812 2.209 3.539 . 0 0 "[ . 1 . 2]" 1
841 1 71 LYS HA 1 71 LYS HG3 . . 3.770 2.832 2.351 3.613 . 0 0 "[ . 1 . 2]" 1
842 1 72 LEU HA 1 72 LEU HG . . 3.860 3.193 3.125 3.344 . 0 0 "[ . 1 . 2]" 1
843 1 72 LEU HA 1 73 ILE H . . 2.780 2.195 2.171 2.229 . 0 0 "[ . 1 . 2]" 1
844 1 72 LEU HB3 1 72 LEU MD2 . . 3.210 2.138 2.055 2.225 . 0 0 "[ . 1 . 2]" 1
845 1 72 LEU HB3 1 72 LEU MD1 . . 3.420 3.159 3.141 3.187 . 0 0 "[ . 1 . 2]" 1
846 1 73 ILE HA 1 73 ILE HG13 . . 3.590 3.104 3.041 3.179 . 0 0 "[ . 1 . 2]" 1
847 1 73 ILE HA 1 79 LEU H . . 3.790 3.129 2.869 3.364 . 0 0 "[ . 1 . 2]" 1
848 1 73 ILE H 1 73 ILE HB . . 3.340 2.691 2.659 2.762 . 0 0 "[ . 1 . 2]" 1
849 1 73 ILE HG12 1 78 ARG HA . . 4.130 2.006 1.987 2.060 . 0 0 "[ . 1 . 2]" 1
850 1 73 ILE HA 1 73 ILE HG12 . . 3.930 2.597 2.541 2.705 . 0 0 "[ . 1 . 2]" 1
851 1 73 ILE HG13 1 73 ILE MG . . 3.500 3.197 3.185 3.203 . 0 0 "[ . 1 . 2]" 1
852 1 73 ILE HG13 1 78 ARG HA . . 3.790 3.640 3.584 3.698 . 0 0 "[ . 1 . 2]" 1
853 1 73 ILE MD 1 73 ILE MG . . 2.740 1.982 1.907 2.161 . 0 0 "[ . 1 . 2]" 1
854 1 73 ILE HG12 1 73 ILE MG . . 3.460 2.342 2.286 2.434 . 0 0 "[ . 1 . 2]" 1
855 1 73 ILE HA 1 73 ILE MG . . 3.210 2.340 2.260 2.409 . 0 0 "[ . 1 . 2]" 1
856 1 73 ILE H 1 73 ILE MG . . 4.170 3.872 3.859 3.901 . 0 0 "[ . 1 . 2]" 1
857 1 73 ILE HB 1 73 ILE MD . . 3.120 2.415 2.317 2.486 . 0 0 "[ . 1 . 2]" 1
858 1 73 ILE MD 1 78 ARG HG2 . . 4.210 3.893 3.546 4.210 0.000 16 0 "[ . 1 . 2]" 1
859 1 73 ILE HA 1 73 ILE MD . . 3.970 3.856 3.830 3.910 . 0 0 "[ . 1 . 2]" 1
860 1 74 VAL HA 1 74 VAL MG2 . . 3.120 2.460 2.436 2.502 . 0 0 "[ . 1 . 2]" 1
861 1 73 ILE MG 1 74 VAL HA . . 4.110 4.059 3.879 4.114 0.004 16 0 "[ . 1 . 2]" 1
862 1 74 VAL HA 1 74 VAL MG1 . . 3.150 2.307 2.216 2.419 . 0 0 "[ . 1 . 2]" 1
863 1 74 VAL HA 1 75 ASN HA . . 4.590 4.396 4.378 4.414 . 0 0 "[ . 1 . 2]" 1
864 1 74 VAL HA 1 75 ASN H . . 3.300 2.214 2.171 2.256 . 0 0 "[ . 1 . 2]" 1
865 1 74 VAL MG1 1 75 ASN HB2 . . 3.760 3.026 2.711 3.226 . 0 0 "[ . 1 . 2]" 1
866 1 28 ASP HB2 1 74 VAL MG1 . . 4.330 3.824 3.358 4.128 . 0 0 "[ . 1 . 2]" 1
867 1 74 VAL MG1 1 75 ASN H . . 4.100 2.055 1.882 2.368 . 0 0 "[ . 1 . 2]" 1
868 1 72 LEU MD1 1 74 VAL MG2 . . 3.300 2.006 1.757 2.152 . 0 0 "[ . 1 . 2]" 1
869 1 74 VAL MG2 1 79 LEU MD1 . . 3.180 2.331 1.931 2.852 . 0 0 "[ . 1 . 2]" 1
870 1 72 LEU HG 1 74 VAL MG2 . . 3.380 2.687 2.412 3.218 . 0 0 "[ . 1 . 2]" 1
871 1 77 ARG HB2 1 79 LEU MD2 . . 4.530 4.420 4.289 4.507 . 0 0 "[ . 1 . 2]" 1
872 1 24 ILE MD 1 77 ARG HB2 . . 4.030 3.902 3.257 4.048 0.018 16 0 "[ . 1 . 2]" 1
873 1 77 ARG HB2 1 77 ARG HD2 . . 4.150 2.663 2.366 2.799 . 0 0 "[ . 1 . 2]" 1
874 1 77 ARG HB2 1 77 ARG HD3 . . 4.150 3.560 3.383 3.803 . 0 0 "[ . 1 . 2]" 1
875 1 24 ILE MD 1 77 ARG HB3 . . 3.820 2.511 1.973 2.710 . 0 0 "[ . 1 . 2]" 1
876 1 77 ARG H 1 77 ARG HB3 . . 3.670 2.744 2.637 2.824 . 0 0 "[ . 1 . 2]" 1
877 1 77 ARG HA 1 77 ARG HG3 . . 3.810 2.781 2.422 2.902 . 0 0 "[ . 1 . 2]" 1
878 1 77 ARG H 1 77 ARG HG3 . . 4.910 4.838 4.624 4.910 0.000 14 0 "[ . 1 . 2]" 1
879 1 24 ILE MD 1 77 ARG HD3 . . 4.000 2.156 1.904 2.789 . 0 0 "[ . 1 . 2]" 1
880 1 24 ILE HG13 1 77 ARG HD3 . . 3.700 3.480 3.083 3.662 . 0 0 "[ . 1 . 2]" 1
881 1 77 ARG HA 1 77 ARG HD3 . . 4.790 4.674 4.504 4.830 0.040 10 0 "[ . 1 . 2]" 1
882 1 73 ILE MD 1 78 ARG HA . . 3.400 3.381 3.188 3.431 0.031 18 0 "[ . 1 . 2]" 1
883 1 73 ILE HA 1 78 ARG HA . . 3.290 2.483 2.303 2.648 . 0 0 "[ . 1 . 2]" 1
884 1 78 ARG HA 1 78 ARG HG2 . . 3.790 2.651 2.500 2.837 . 0 0 "[ . 1 . 2]" 1
885 1 78 ARG H 1 78 ARG HG2 . . 4.680 4.482 4.428 4.534 . 0 0 "[ . 1 . 2]" 1
886 1 78 ARG HA 1 78 ARG HG3 . . 3.790 2.618 2.455 2.732 . 0 0 "[ . 1 . 2]" 1
887 1 78 ARG H 1 78 ARG HG3 . . 4.680 4.136 4.028 4.268 . 0 0 "[ . 1 . 2]" 1
888 1 78 ARG HB2 1 78 ARG QD . . 3.440 2.781 2.516 3.042 . 0 0 "[ . 1 . 2]" 1
889 1 78 ARG HA 1 78 ARG QD . . 4.270 4.082 3.983 4.142 . 0 0 "[ . 1 . 2]" 1
890 1 79 LEU H 1 79 LEU HB2 . . 4.050 2.779 2.677 2.831 . 0 0 "[ . 1 . 2]" 1
891 1 79 LEU HB3 1 79 LEU MD1 . . 3.420 2.333 2.217 2.480 . 0 0 "[ . 1 . 2]" 1
892 1 79 LEU HB3 1 80 ASN H . . 4.140 3.102 2.866 3.192 . 0 0 "[ . 1 . 2]" 1
893 1 17 VAL MG1 1 79 LEU HG . . 4.660 4.448 4.139 4.636 . 0 0 "[ . 1 . 2]" 1
894 1 73 ILE HA 1 79 LEU HG . . 4.050 2.832 2.619 3.197 . 0 0 "[ . 1 . 2]" 1
895 1 15 LEU HB2 1 15 LEU MD1 . . 3.130 2.182 2.056 2.286 . 0 0 "[ . 1 . 2]" 1
896 1 15 LEU HB3 1 15 LEU MD1 . . 3.600 2.534 2.444 2.584 . 0 0 "[ . 1 . 2]" 1
897 1 79 LEU HB3 1 79 LEU MD2 . . 3.370 2.386 2.300 2.447 . 0 0 "[ . 1 . 2]" 1
898 1 80 ASN HA 1 81 VAL MG2 . . 4.210 3.957 3.684 4.123 . 0 0 "[ . 1 . 2]" 1
899 1 80 ASN H 1 80 ASN HB2 . . 3.580 2.398 2.187 2.507 . 0 0 "[ . 1 . 2]" 1
900 1 80 ASN HB3 1 81 VAL H . . 4.260 4.209 3.890 4.269 0.009 16 0 "[ . 1 . 2]" 1
901 1 17 VAL MG2 1 81 VAL HA . . 4.050 3.222 2.927 3.483 . 0 0 "[ . 1 . 2]" 1
902 1 81 VAL HA 1 81 VAL MG1 . . 3.320 2.365 2.248 2.436 . 0 0 "[ . 1 . 2]" 1
903 1 17 VAL HA 1 81 VAL HA . . 3.260 2.335 2.184 2.493 . 0 0 "[ . 1 . 2]" 1
904 1 18 GLY H 1 81 VAL HA . . 3.690 3.429 3.298 3.628 . 0 0 "[ . 1 . 2]" 1
905 1 72 LEU MD2 1 81 VAL HB . . 5.310 4.001 3.750 4.206 . 0 0 "[ . 1 . 2]" 1
906 1 69 PHE QD 1 81 VAL HB . . 3.790 3.343 2.997 3.645 . 0 0 "[ . 1 . 2]" 1
907 1 65 ALA HA 1 81 VAL MG1 . . 4.070 3.247 3.012 3.491 . 0 0 "[ . 1 . 2]" 1
908 1 69 PHE H 1 81 VAL MG1 . . 4.270 3.954 3.626 4.179 . 0 0 "[ . 1 . 2]" 1
909 1 81 VAL H 1 81 VAL MG1 . . 4.550 3.795 3.760 3.859 . 0 0 "[ . 1 . 2]" 1
910 1 17 VAL MG2 1 81 VAL MG2 . . 3.080 1.953 1.833 2.124 . 0 0 "[ . 1 . 2]" 1
911 1 72 LEU MD2 1 81 VAL MG2 . . 3.410 1.831 1.740 1.947 . 0 0 "[ . 1 . 2]" 1
912 1 81 VAL HA 1 81 VAL MG2 . . 3.420 2.319 2.181 2.492 . 0 0 "[ . 1 . 2]" 1
913 1 33 PHE HZ 1 81 VAL MG2 . . 3.520 2.821 2.478 3.119 . 0 0 "[ . 1 . 2]" 1
914 1 81 VAL MG2 1 82 LYS H . . 4.070 3.878 3.704 3.990 . 0 0 "[ . 1 . 2]" 1
915 1 81 VAL MG1 1 82 LYS HA . . 4.170 3.364 3.225 3.533 . 0 0 "[ . 1 . 2]" 1
916 1 82 LYS HA 1 82 LYS HG3 . . 4.250 3.726 3.576 3.856 . 0 0 "[ . 1 . 2]" 1
917 1 69 PHE HZ 1 82 LYS HA . . 4.760 3.783 3.245 4.488 . 0 0 "[ . 1 . 2]" 1
918 1 69 PHE QE 1 82 LYS HA . . 4.350 3.227 2.883 3.636 . 0 0 "[ . 1 . 2]" 1
919 1 82 LYS HA 1 83 TRP H . . 3.040 2.324 2.214 2.496 . 0 0 "[ . 1 . 2]" 1
920 1 16 TYR HB3 1 82 LYS HG2 . . 4.040 3.100 1.982 4.062 0.022 8 0 "[ . 1 . 2]" 1
921 1 82 LYS HA 1 82 LYS HG2 . . 4.250 3.666 3.508 3.849 . 0 0 "[ . 1 . 2]" 1
922 1 16 TYR QD 1 82 LYS HG2 . . 3.950 2.080 1.996 2.415 . 0 0 "[ . 1 . 2]" 1
923 1 82 LYS H 1 82 LYS HG2 . . 4.200 2.686 2.422 2.954 . 0 0 "[ . 1 . 2]" 1
924 1 82 LYS HB2 1 82 LYS QD . . 3.480 2.388 2.320 2.567 . 0 0 "[ . 1 . 2]" 1
925 1 82 LYS HB3 1 82 LYS QD . . 3.480 2.580 2.167 2.915 . 0 0 "[ . 1 . 2]" 1
926 1 83 TRP HA 1 83 TRP HE3 . . 4.190 2.520 2.411 2.684 . 0 0 "[ . 1 . 2]" 1
927 1 83 TRP HB3 1 83 TRP HE3 . . 3.750 2.893 2.809 2.954 . 0 0 "[ . 1 . 2]" 1
928 1 83 TRP HB3 1 84 GLY H . . 4.100 3.218 2.837 3.537 . 0 0 "[ . 1 . 2]" 1
929 1 12 ILE MG 1 84 GLY HA3 . . 4.090 3.441 2.907 3.706 . 0 0 "[ . 1 . 2]" 1
930 1 12 ILE MG 1 84 GLY HA2 . . 5.130 4.388 4.093 4.649 . 0 0 "[ . 1 . 2]" 1
931 1 16 TYR HB2 1 84 GLY HA2 . . 3.830 3.590 3.001 3.829 . 0 0 "[ . 1 . 2]" 1
932 1 12 ILE MG 1 85 ARG HA . . 4.140 3.458 2.850 4.150 0.010 19 0 "[ . 1 . 2]" 1
933 1 85 ARG H 1 85 ARG QG . . 4.060 3.548 1.888 4.062 0.002 11 0 "[ . 1 . 2]" 1
934 1 78 ARG HB3 1 78 ARG QD . . 3.660 2.389 2.109 2.842 . 0 0 "[ . 1 . 2]" 1
935 1 20 LEU MD1 1 51 ALA MB . . 2.800 1.885 1.766 2.223 . 0 0 "[ . 1 . 2]" 1
936 1 29 LEU MD2 1 51 ALA MB . . 3.980 3.666 3.129 3.905 . 0 0 "[ . 1 . 2]" 1
937 1 44 VAL MG2 1 51 ALA MB . . 2.850 1.948 1.819 2.123 . 0 0 "[ . 1 . 2]" 1
938 1 17 VAL HB 1 51 ALA MB . . 3.330 2.637 2.423 2.859 . 0 0 "[ . 1 . 2]" 1
939 1 45 VAL H 1 51 ALA MB . . 4.220 3.722 3.425 3.933 . 0 0 "[ . 1 . 2]" 1
940 1 29 LEU HB2 1 51 ALA MB . . 4.620 4.065 3.957 4.209 . 0 0 "[ . 1 . 2]" 1
941 1 45 VAL MG1 1 47 ARG HB2 . . 4.420 3.921 3.189 4.336 . 0 0 "[ . 1 . 2]" 1
942 1 47 ARG HB2 1 48 GLN H . . 4.640 4.128 3.912 4.397 . 0 0 "[ . 1 . 2]" 1
943 1 45 VAL MG1 1 47 ARG HB3 . . 4.420 3.178 2.101 3.822 . 0 0 "[ . 1 . 2]" 1
944 1 47 ARG HB3 1 48 GLN H . . 4.640 3.659 2.670 4.188 . 0 0 "[ . 1 . 2]" 1
945 1 47 ARG QG 1 48 GLN H . . 4.610 2.697 2.016 3.708 . 0 0 "[ . 1 . 2]" 1
946 1 25 THR HB 1 26 GLU H . . 3.420 2.076 2.012 2.216 . 0 0 "[ . 1 . 2]" 1
947 1 20 LEU HA 1 20 LEU MD2 . . 2.800 2.011 1.927 2.169 . 0 0 "[ . 1 . 2]" 1
948 1 20 LEU HA 1 24 ILE HB . . 3.730 2.524 2.401 2.656 . 0 0 "[ . 1 . 2]" 1
949 1 16 TYR HB2 1 84 GLY HA3 . . 4.450 4.240 4.053 4.459 0.009 2 0 "[ . 1 . 2]" 1
950 1 16 TYR HB3 1 84 GLY HA2 . . 4.300 3.679 3.178 3.918 . 0 0 "[ . 1 . 2]" 1
951 1 13 THR HB 1 61 ALA MB . . 3.720 2.980 2.658 3.349 . 0 0 "[ . 1 . 2]" 1
952 1 13 THR HB 1 58 ARG HA . . 4.500 3.192 2.925 3.585 . 0 0 "[ . 1 . 2]" 1
953 1 13 THR MG 1 58 ARG HB2 . . 3.930 2.315 2.085 2.545 . 0 0 "[ . 1 . 2]" 1
954 1 14 THR HB 1 15 LEU H . . 4.430 3.869 3.706 4.022 . 0 0 "[ . 1 . 2]" 1
955 1 13 THR H 1 14 THR HB . . 4.810 4.685 4.533 4.808 . 0 0 "[ . 1 . 2]" 1
956 1 14 THR HB 1 84 GLY HA3 . . 4.260 3.102 2.734 3.442 . 0 0 "[ . 1 . 2]" 1
957 1 14 THR MG 1 52 PHE QB . . 3.030 2.538 2.333 2.865 . 0 0 "[ . 1 . 2]" 1
958 1 14 THR MG 1 54 GLN HB2 . . 3.890 2.969 2.694 3.147 . 0 0 "[ . 1 . 2]" 1
959 1 14 THR MG 1 84 GLY HA3 . . 3.780 3.039 2.786 3.467 . 0 0 "[ . 1 . 2]" 1
960 1 14 THR MG 1 84 GLY HA2 . . 4.900 4.349 3.978 4.834 . 0 0 "[ . 1 . 2]" 1
961 1 14 THR MG 1 52 PHE QD . . 3.430 2.197 1.984 2.461 . 0 0 "[ . 1 . 2]" 1
962 1 16 TYR HA 1 17 VAL HB . . 4.840 4.513 4.446 4.613 . 0 0 "[ . 1 . 2]" 1
963 1 17 VAL HA 1 81 VAL MG2 . . 3.850 2.557 2.054 2.902 . 0 0 "[ . 1 . 2]" 1
964 1 17 VAL MG1 1 81 VAL MG2 . . 3.200 2.300 2.006 2.548 . 0 0 "[ . 1 . 2]" 1
965 1 18 GLY HA2 1 20 LEU MD2 . . 4.670 4.129 3.894 4.438 . 0 0 "[ . 1 . 2]" 1
966 1 18 GLY HA2 1 20 LEU HG . . 4.410 3.320 3.168 3.533 . 0 0 "[ . 1 . 2]" 1
967 1 18 GLY HA3 1 50 CYS HB3 . . 4.580 3.780 3.243 4.123 . 0 0 "[ . 1 . 2]" 1
968 1 19 GLY HA3 1 79 LEU MD2 . . 4.010 2.872 2.574 3.100 . 0 0 "[ . 1 . 2]" 1
969 1 18 GLY HA2 1 19 GLY HA2 . . 4.690 4.627 4.543 4.667 . 0 0 "[ . 1 . 2]" 1
970 1 20 LEU HA 1 24 ILE MD . . 3.490 2.086 1.931 2.271 . 0 0 "[ . 1 . 2]" 1
971 1 20 LEU HB3 1 49 GLN HB3 . . 4.820 4.663 4.237 4.829 0.009 2 0 "[ . 1 . 2]" 1
972 1 20 LEU HB2 1 49 GLN HB3 . . 4.060 3.025 2.552 3.224 . 0 0 "[ . 1 . 2]" 1
973 1 20 LEU HB3 1 20 LEU MD2 . . 3.020 2.362 2.258 2.431 . 0 0 "[ . 1 . 2]" 1
974 1 20 LEU MD1 1 24 ILE HB . . 4.750 4.322 4.100 4.540 . 0 0 "[ . 1 . 2]" 1
975 1 20 LEU HA 1 20 LEU MD1 . . 4.180 3.826 3.762 3.884 . 0 0 "[ . 1 . 2]" 1
976 1 23 THR HB 1 24 ILE H . . 4.460 3.543 3.191 3.722 . 0 0 "[ . 1 . 2]" 1
977 1 24 ILE HA 1 28 ASP HB2 . . 4.230 3.997 3.920 4.073 . 0 0 "[ . 1 . 2]" 1
978 1 24 ILE HA 1 28 ASP HB3 . . 4.580 4.500 4.363 4.588 0.008 10 0 "[ . 1 . 2]" 1
979 1 20 LEU HA 1 24 ILE HG12 . . 4.910 4.574 4.369 4.802 . 0 0 "[ . 1 . 2]" 1
980 1 20 LEU HA 1 24 ILE MG . . 4.280 3.173 2.994 3.292 . 0 0 "[ . 1 . 2]" 1
981 1 24 ILE HB 1 24 ILE MD . . 3.270 2.359 2.208 2.445 . 0 0 "[ . 1 . 2]" 1
982 1 24 ILE MD 1 75 ASN HB2 . . 3.570 3.372 3.185 3.536 . 0 0 "[ . 1 . 2]" 1
983 1 24 ILE MD 1 77 ARG HD2 . . 4.000 2.727 1.905 3.276 . 0 0 "[ . 1 . 2]" 1
984 1 26 GLU HA 1 29 LEU HB3 . . 5.250 5.017 4.827 5.254 0.004 7 0 "[ . 1 . 2]" 1
985 1 27 THR HA 1 30 ARG QG . . 4.580 4.222 4.041 4.414 . 0 0 "[ . 1 . 2]" 1
986 1 28 ASP HA 1 31 ASN H . . 4.220 4.064 3.762 4.200 . 0 0 "[ . 1 . 2]" 1
987 1 27 THR MG 1 28 ASP HA . . 4.180 3.326 2.899 3.457 . 0 0 "[ . 1 . 2]" 1
988 1 28 ASP HB3 1 74 VAL MG1 . . 3.470 2.523 2.047 2.865 . 0 0 "[ . 1 . 2]" 1
989 1 29 LEU HA 1 32 HIS HB2 . . 4.080 2.959 2.623 3.455 . 0 0 "[ . 1 . 2]" 1
990 1 29 LEU HB2 1 29 LEU MD1 . . 3.410 2.143 2.043 2.290 . 0 0 "[ . 1 . 2]" 1
991 1 30 ARG HA 1 33 PHE HB3 . . 5.050 4.945 4.846 5.054 0.004 4 0 "[ . 1 . 2]" 1
992 1 30 ARG QG 1 31 ASN HA . . 4.330 3.654 3.420 3.913 . 0 0 "[ . 1 . 2]" 1
993 1 31 ASN HA 1 34 TYR HB2 . . 4.570 3.372 3.314 3.418 . 0 0 "[ . 1 . 2]" 1
994 1 33 PHE HA 1 36 PHE QD . . 3.260 1.990 1.972 2.008 . 0 0 "[ . 1 . 2]" 1
995 1 33 PHE HB2 1 39 ILE HG12 . . 4.600 3.578 3.288 3.879 . 0 0 "[ . 1 . 2]" 1
996 1 33 PHE HB3 1 55 PHE QE . . 4.270 2.744 2.627 2.836 . 0 0 "[ . 1 . 2]" 1
997 1 35 GLN HA 1 35 GLN HG2 . . 4.230 3.807 3.673 3.857 . 0 0 "[ . 1 . 2]" 1
998 1 35 GLN HB3 1 36 PHE H . . 4.770 3.764 3.668 3.818 . 0 0 "[ . 1 . 2]" 1
999 1 35 GLN HB2 1 36 PHE H . . 4.760 3.792 3.558 3.925 . 0 0 "[ . 1 . 2]" 1
1000 1 33 PHE HA 1 35 GLN HG2 . . 4.800 3.153 2.996 3.355 . 0 0 "[ . 1 . 2]" 1
1001 1 35 GLN H 1 35 GLN HG2 . . 4.140 2.459 2.213 2.664 . 0 0 "[ . 1 . 2]" 1
1002 1 33 PHE HA 1 35 GLN HG3 . . 4.800 4.365 4.166 4.604 . 0 0 "[ . 1 . 2]" 1
1003 1 36 PHE HB3 1 55 PHE QE . . 4.310 4.106 3.830 4.286 . 0 0 "[ . 1 . 2]" 1
1004 1 36 PHE HB2 1 64 ALA H . . 4.520 4.403 4.119 4.532 0.012 16 0 "[ . 1 . 2]" 1
1005 1 38 GLU HB3 1 39 ILE H . . 4.510 4.076 3.780 4.249 . 0 0 "[ . 1 . 2]" 1
1006 1 38 GLU HB2 1 39 ILE H . . 4.510 4.174 4.049 4.337 . 0 0 "[ . 1 . 2]" 1
1007 1 39 ILE HA 1 55 PHE HB3 . . 4.710 4.248 4.096 4.468 . 0 0 "[ . 1 . 2]" 1
1008 1 38 GLU HA 1 39 ILE HA . . 4.600 4.382 4.374 4.398 . 0 0 "[ . 1 . 2]" 1
1009 1 39 ILE HA 1 40 ARG HA . . 4.650 4.409 4.378 4.425 . 0 0 "[ . 1 . 2]" 1
1010 1 39 ILE HA 1 55 PHE HA . . 3.140 2.376 2.251 2.515 . 0 0 "[ . 1 . 2]" 1
1011 1 38 GLU HA 1 39 ILE HB . . 4.740 4.605 4.532 4.678 . 0 0 "[ . 1 . 2]" 1
1012 1 38 GLU HA 1 39 ILE HG13 . . 4.670 3.656 3.458 3.902 . 0 0 "[ . 1 . 2]" 1
1013 1 39 ILE HG13 1 55 PHE QE . . 4.360 3.348 3.022 3.818 . 0 0 "[ . 1 . 2]" 1
1014 1 34 TYR HA 1 39 ILE HG12 . . 4.910 3.552 3.373 3.693 . 0 0 "[ . 1 . 2]" 1
1015 1 39 ILE HG12 1 39 ILE MG . . 3.360 2.293 2.167 2.355 . 0 0 "[ . 1 . 2]" 1
1016 1 39 ILE HA 1 39 ILE MD . . 4.100 3.871 3.844 3.895 . 0 0 "[ . 1 . 2]" 1
1017 1 33 PHE QD 1 39 ILE MD . . 4.540 3.788 3.575 4.063 . 0 0 "[ . 1 . 2]" 1
1018 1 40 ARG HB3 1 41 THR MG . . 4.370 3.203 2.980 3.465 . 0 0 "[ . 1 . 2]" 1
1019 1 40 ARG HB3 1 56 ALA HA . . 4.950 4.832 4.759 4.899 . 0 0 "[ . 1 . 2]" 1
1020 1 40 ARG HB2 1 54 GLN HG2 . . 4.240 2.026 1.997 2.122 . 0 0 "[ . 1 . 2]" 1
1021 1 40 ARG HB2 1 54 GLN HB3 . . 4.490 2.214 2.065 2.415 . 0 0 "[ . 1 . 2]" 1
1022 1 40 ARG HB2 1 55 PHE HA . . 4.660 3.314 3.189 3.503 . 0 0 "[ . 1 . 2]" 1
1023 1 40 ARG H 1 40 ARG HG2 . . 4.290 3.690 3.573 3.909 . 0 0 "[ . 1 . 2]" 1
1024 1 40 ARG HA 1 40 ARG HG2 . . 3.830 2.190 2.143 2.287 . 0 0 "[ . 1 . 2]" 1
1025 1 40 ARG HG2 1 56 ALA HA . . 3.960 3.030 2.840 3.161 . 0 0 "[ . 1 . 2]" 1
1026 1 40 ARG H 1 40 ARG HG3 . . 4.330 2.964 2.879 3.056 . 0 0 "[ . 1 . 2]" 1
1027 1 40 ARG HB3 1 41 THR HB . . 4.020 3.502 3.394 3.587 . 0 0 "[ . 1 . 2]" 1
1028 1 41 THR HB 1 54 GLN HB3 . . 4.350 3.972 3.849 4.122 . 0 0 "[ . 1 . 2]" 1
1029 1 26 GLU QG 1 42 ILE MG . . 3.160 2.007 1.859 2.928 . 0 0 "[ . 1 . 2]" 1
1030 1 42 ILE MG 1 53 ILE HA . . 4.070 3.320 2.841 3.445 . 0 0 "[ . 1 . 2]" 1
1031 1 30 ARG QB 1 42 ILE MD . . 3.200 2.033 1.864 2.344 . 0 0 "[ . 1 . 2]" 1
1032 1 43 THR HB 1 45 VAL MG2 . . 4.170 3.911 3.789 4.094 . 0 0 "[ . 1 . 2]" 1
1033 1 43 THR HB 1 44 VAL H . . 4.540 4.395 4.192 4.442 . 0 0 "[ . 1 . 2]" 1
1034 1 20 LEU MD1 1 44 VAL HA . . 4.400 3.322 3.116 3.442 . 0 0 "[ . 1 . 2]" 1
1035 1 44 VAL HA 1 51 ALA MB . . 3.280 2.339 2.139 2.652 . 0 0 "[ . 1 . 2]" 1
1036 1 44 VAL H 1 44 VAL MG1 . . 4.040 3.796 3.781 3.857 . 0 0 "[ . 1 . 2]" 1
1037 1 44 VAL MG2 1 45 VAL H . . 4.270 4.163 4.070 4.217 . 0 0 "[ . 1 . 2]" 1
1038 1 26 GLU H 1 44 VAL MG2 . . 3.800 3.725 3.348 3.806 0.006 20 0 "[ . 1 . 2]" 1
1039 1 44 VAL MG1 1 45 VAL HA . . 4.380 3.939 3.695 4.128 . 0 0 "[ . 1 . 2]" 1
1040 1 43 THR MG 1 45 VAL MG2 . . 3.220 2.353 2.215 2.596 . 0 0 "[ . 1 . 2]" 1
1041 1 45 VAL MG2 1 51 ALA HA . . 4.160 3.822 3.398 4.159 . 0 0 "[ . 1 . 2]" 1
1042 1 45 VAL HA 1 46 GLN QB . . 4.730 4.321 4.092 4.621 . 0 0 "[ . 1 . 2]" 1
1043 1 47 ARG HA 1 47 ARG QG . . 3.480 3.137 2.478 3.428 . 0 0 "[ . 1 . 2]" 1
1044 1 46 GLN QB 1 47 ARG HA . . 4.550 4.113 3.836 4.353 . 0 0 "[ . 1 . 2]" 1
1045 1 47 ARG HA 1 49 GLN H . . 4.620 3.996 3.876 4.306 . 0 0 "[ . 1 . 2]" 1
1046 1 45 VAL MG1 1 48 GLN HB2 . . 3.770 2.026 1.937 2.227 . 0 0 "[ . 1 . 2]" 1
1047 1 48 GLN HB3 1 49 GLN H . . 4.930 4.272 3.868 4.428 . 0 0 "[ . 1 . 2]" 1
1048 1 20 LEU MD1 1 49 GLN HA . . 4.160 3.312 2.758 3.731 . 0 0 "[ . 1 . 2]" 1
1049 1 20 LEU HB2 1 49 GLN HA . . 4.110 2.876 2.690 3.054 . 0 0 "[ . 1 . 2]" 1
1050 1 48 GLN H 1 49 GLN HA . . 4.470 4.256 4.029 4.382 . 0 0 "[ . 1 . 2]" 1
1051 1 20 LEU HB2 1 49 GLN HB2 . . 4.870 4.509 4.131 4.698 . 0 0 "[ . 1 . 2]" 1
1052 1 18 GLY HA3 1 50 CYS HB2 . . 4.580 4.215 3.800 4.594 0.014 20 0 "[ . 1 . 2]" 1
1053 1 16 TYR QE 1 50 CYS HB2 . . 4.060 2.837 2.368 3.106 . 0 0 "[ . 1 . 2]" 1
1054 1 16 TYR QE 1 50 CYS HB3 . . 4.060 3.060 2.741 3.397 . 0 0 "[ . 1 . 2]" 1
1055 1 51 ALA HA 1 52 PHE QD . . 4.580 3.886 3.573 4.349 . 0 0 "[ . 1 . 2]" 1
1056 1 52 PHE HA 1 53 ILE QG . . 4.760 3.772 3.366 4.763 0.003 14 0 "[ . 1 . 2]" 1
1057 1 14 THR MG 1 52 PHE HA . . 3.800 3.556 3.349 3.749 . 0 0 "[ . 1 . 2]" 1
1058 1 16 TYR H 1 52 PHE HA . . 5.500 4.898 4.767 5.033 . 0 0 "[ . 1 . 2]" 1
1059 1 53 ILE HA 1 54 GLN HB3 . . 4.880 4.805 4.731 4.886 0.006 6 0 "[ . 1 . 2]" 1
1060 1 15 LEU HB2 1 53 ILE HB . . 3.560 2.772 2.597 3.020 . 0 0 "[ . 1 . 2]" 1
1061 1 15 LEU H 1 53 ILE HB . . 4.040 3.406 3.233 3.665 . 0 0 "[ . 1 . 2]" 1
1062 1 15 LEU HB2 1 53 ILE QG . . 4.680 4.014 3.582 4.706 0.026 9 0 "[ . 1 . 2]" 1
1063 1 29 LEU HB3 1 53 ILE QG . . 4.820 3.631 3.121 3.898 . 0 0 "[ . 1 . 2]" 1
1064 1 39 ILE MG 1 53 ILE MG . . 3.240 2.161 1.944 2.289 . 0 0 "[ . 1 . 2]" 1
1065 1 39 ILE HG13 1 53 ILE MG . . 4.270 4.141 3.968 4.278 0.008 3 0 "[ . 1 . 2]" 1
1066 1 53 ILE H 1 53 ILE MG . . 4.240 3.804 3.733 3.849 . 0 0 "[ . 1 . 2]" 1
1067 1 53 ILE MD 1 53 ILE MG . . 3.280 2.255 1.892 3.157 . 0 0 "[ . 1 . 2]" 1
1068 1 53 ILE HA 1 53 ILE MD . . 3.740 2.459 2.114 3.281 . 0 0 "[ . 1 . 2]" 1
1069 1 53 ILE H 1 53 ILE MD . . 4.260 3.015 2.121 3.387 . 0 0 "[ . 1 . 2]" 1
1070 1 14 THR MG 1 54 GLN HA . . 4.340 3.068 2.609 3.279 . 0 0 "[ . 1 . 2]" 1
1071 1 13 THR HB 1 54 GLN HA . . 5.140 4.702 4.404 4.990 . 0 0 "[ . 1 . 2]" 1
1072 1 40 ARG HB2 1 54 GLN HG3 . . 4.730 3.610 3.457 3.727 . 0 0 "[ . 1 . 2]" 1
1073 1 55 PHE HB3 1 61 ALA MB . . 3.920 3.677 3.413 3.856 . 0 0 "[ . 1 . 2]" 1
1074 1 55 PHE HB2 1 60 ALA MB . . 3.890 3.587 3.271 3.829 . 0 0 "[ . 1 . 2]" 1
1075 1 40 ARG QD 1 56 ALA MB . . 4.120 3.883 3.443 4.123 0.003 9 0 "[ . 1 . 2]" 1
1076 1 57 THR HB 1 59 GLN HB2 . . 4.450 2.968 2.813 3.099 . 0 0 "[ . 1 . 2]" 1
1077 1 57 THR HA 1 57 THR MG . . 3.120 2.267 2.160 2.340 . 0 0 "[ . 1 . 2]" 1
1078 1 58 ARG HA 1 61 ALA MB . . 3.440 2.093 1.969 2.337 . 0 0 "[ . 1 . 2]" 1
1079 1 13 THR HA 1 58 ARG HA . . 3.930 2.910 2.776 3.016 . 0 0 "[ . 1 . 2]" 1
1080 1 58 ARG HA 1 62 GLU H . . 4.940 3.785 3.581 4.000 . 0 0 "[ . 1 . 2]" 1
1081 1 58 ARG HA 1 58 ARG HG3 . . 4.130 3.056 2.917 3.221 . 0 0 "[ . 1 . 2]" 1
1082 1 13 THR MG 1 58 ARG HD2 . . 4.270 3.319 2.812 4.271 0.001 20 0 "[ . 1 . 2]" 1
1083 1 59 GLN HA 1 62 GLU HG3 . . 4.780 4.461 4.113 4.739 . 0 0 "[ . 1 . 2]" 1
1084 1 60 ALA HA 1 63 VAL MG2 . . 3.570 2.772 2.277 3.069 . 0 0 "[ . 1 . 2]" 1
1085 1 37 GLY HA3 1 60 ALA HA . . 4.670 4.123 3.840 4.295 . 0 0 "[ . 1 . 2]" 1
1086 1 60 ALA HA 1 64 ALA H . . 4.030 3.908 3.789 4.019 . 0 0 "[ . 1 . 2]" 1
1087 1 57 THR H 1 60 ALA MB . . 4.060 3.739 3.582 3.840 . 0 0 "[ . 1 . 2]" 1
1088 1 15 LEU HB3 1 65 ALA HA . . 4.910 4.300 4.004 4.787 . 0 0 "[ . 1 . 2]" 1
1089 1 55 PHE QE 1 61 ALA HA . . 3.940 3.095 2.814 3.346 . 0 0 "[ . 1 . 2]" 1
1090 1 65 ALA HA 1 69 PHE QD . . 4.350 3.346 3.148 3.530 . 0 0 "[ . 1 . 2]" 1
1091 1 55 PHE QD 1 61 ALA HA . . 3.660 2.842 2.590 3.075 . 0 0 "[ . 1 . 2]" 1
1092 1 55 PHE HB2 1 61 ALA MB . . 3.430 2.460 2.106 2.626 . 0 0 "[ . 1 . 2]" 1
1093 1 55 PHE QD 1 61 ALA MB . . 3.300 2.470 2.076 2.870 . 0 0 "[ . 1 . 2]" 1
1094 1 62 GLU HA 1 62 GLU HG3 . . 3.800 3.084 2.951 3.684 . 0 0 "[ . 1 . 2]" 1
1095 1 36 PHE HB3 1 63 VAL HB . . 4.370 2.997 2.858 3.123 . 0 0 "[ . 1 . 2]" 1
1096 1 63 VAL HA 1 63 VAL MG1 . . 3.180 2.354 2.269 2.412 . 0 0 "[ . 1 . 2]" 1
1097 1 63 VAL MG1 1 64 ALA H . . 3.580 3.167 2.960 3.353 . 0 0 "[ . 1 . 2]" 1
1098 1 63 VAL H 1 63 VAL MG2 . . 3.040 1.919 1.830 2.024 . 0 0 "[ . 1 . 2]" 1
1099 1 36 PHE HB3 1 64 ALA HA . . 4.720 4.597 4.234 4.737 0.017 20 0 "[ . 1 . 2]" 1
1100 1 36 PHE HB2 1 64 ALA MB . . 3.740 2.996 2.645 3.205 . 0 0 "[ . 1 . 2]" 1
1101 1 61 ALA HA 1 64 ALA MB . . 3.240 3.064 2.710 3.241 0.001 6 0 "[ . 1 . 2]" 1
1102 1 36 PHE HB3 1 64 ALA MB . . 3.730 3.132 2.629 3.391 . 0 0 "[ . 1 . 2]" 1
1103 1 33 PHE QE 1 64 ALA MB . . 3.340 2.425 2.142 2.725 . 0 0 "[ . 1 . 2]" 1
1104 1 55 PHE QE 1 64 ALA MB . . 3.850 3.092 2.756 3.272 . 0 0 "[ . 1 . 2]" 1
1105 1 55 PHE HZ 1 64 ALA MB . . 3.540 2.785 2.550 2.897 . 0 0 "[ . 1 . 2]" 1
1106 1 36 PHE QD 1 64 ALA MB . . 3.550 2.452 2.162 3.026 . 0 0 "[ . 1 . 2]" 1
1107 1 15 LEU MD2 1 65 ALA HA . . 4.020 2.198 1.977 2.467 . 0 0 "[ . 1 . 2]" 1
1108 1 65 ALA MB 1 83 TRP HH2 . . 4.360 3.013 2.725 3.299 . 0 0 "[ . 1 . 2]" 1
1109 1 65 ALA MB 1 83 TRP HE1 . . 4.340 3.072 2.862 3.238 . 0 0 "[ . 1 . 2]" 1
1110 1 65 ALA MB 1 66 GLU HA . . 4.430 3.703 3.610 3.795 . 0 0 "[ . 1 . 2]" 1
1111 1 26 GLU QG 1 27 THR HA . . 4.280 3.514 3.112 4.282 0.002 8 0 "[ . 1 . 2]" 1
1112 1 66 GLU H 1 66 GLU HG3 . . 4.800 3.892 2.184 4.578 . 0 0 "[ . 1 . 2]" 1
1113 1 67 LYS HB2 1 67 LYS QG . . 2.400 2.209 2.202 2.267 . 0 0 "[ . 1 . 2]" 1
1114 1 67 LYS HB2 1 67 LYS QD . . 3.020 2.702 2.625 2.987 . 0 0 "[ . 1 . 2]" 1
1115 1 67 LYS HA 1 67 LYS QD . . 3.920 3.655 3.622 3.830 . 0 0 "[ . 1 . 2]" 1
1116 1 68 SER HA 1 72 LEU HB3 . . 3.950 2.653 2.416 2.791 . 0 0 "[ . 1 . 2]" 1
1117 1 71 LYS HA 1 71 LYS HD2 . . 4.710 4.158 2.499 4.700 . 0 0 "[ . 1 . 2]" 1
1118 1 71 LYS HA 1 71 LYS HD3 . . 4.710 4.278 3.368 4.720 0.010 2 0 "[ . 1 . 2]" 1
1119 1 67 LYS HE2 1 67 LYS QG . . 3.650 2.475 2.148 3.305 . 0 0 "[ . 1 . 2]" 1
1120 1 71 LYS HB3 1 71 LYS QE . . 4.340 3.305 2.015 4.079 . 0 0 "[ . 1 . 2]" 1
1121 1 71 LYS HB2 1 71 LYS QE . . 4.340 3.767 2.439 4.301 . 0 0 "[ . 1 . 2]" 1
1122 1 72 LEU HA 1 72 LEU MD1 . . 3.040 2.480 2.156 2.597 . 0 0 "[ . 1 . 2]" 1
1123 1 72 LEU HA 1 72 LEU MD2 . . 4.250 4.009 3.965 4.021 . 0 0 "[ . 1 . 2]" 1
1124 1 68 SER HA 1 72 LEU HA . . 4.580 3.517 3.349 3.657 . 0 0 "[ . 1 . 2]" 1
1125 1 72 LEU HA 1 73 ILE HA . . 4.680 4.400 4.394 4.411 . 0 0 "[ . 1 . 2]" 1
1126 1 72 LEU HG 1 79 LEU HG . . 4.320 3.380 3.159 3.568 . 0 0 "[ . 1 . 2]" 1
1127 1 72 LEU HG 1 74 VAL H . . 4.760 3.396 3.262 3.636 . 0 0 "[ . 1 . 2]" 1
1128 1 72 LEU MD2 1 79 LEU HB2 . . 3.880 2.363 2.162 2.703 . 0 0 "[ . 1 . 2]" 1
1129 1 72 LEU HB2 1 72 LEU MD2 . . 3.230 2.524 2.390 2.591 . 0 0 "[ . 1 . 2]" 1
1130 1 72 LEU H 1 72 LEU MD1 . . 4.510 4.314 4.206 4.349 . 0 0 "[ . 1 . 2]" 1
1131 1 72 LEU HA 1 73 ILE HB . . 4.950 4.840 4.780 4.892 . 0 0 "[ . 1 . 2]" 1
1132 1 73 ILE HB 1 74 VAL H . . 4.600 4.410 4.354 4.442 . 0 0 "[ . 1 . 2]" 1
1133 1 73 ILE H 1 73 ILE MD . . 4.290 3.949 3.845 4.050 . 0 0 "[ . 1 . 2]" 1
1134 1 75 ASN HA 1 76 GLY HA2 . . 5.080 4.779 4.732 4.829 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ILE MG 1 77 ARG HA . . 4.300 3.474 3.323 3.856 . 0 0 "[ . 1 . 2]" 1
1136 1 77 ARG HA 1 77 ARG HD2 . . 4.790 4.539 4.369 4.605 . 0 0 "[ . 1 . 2]" 1
1137 1 77 ARG HB2 1 78 ARG H . . 4.550 4.479 4.415 4.548 . 0 0 "[ . 1 . 2]" 1
1138 1 77 ARG HB3 1 78 ARG H . . 4.630 4.409 4.346 4.459 . 0 0 "[ . 1 . 2]" 1
1139 1 77 ARG H 1 77 ARG HG2 . . 4.910 4.461 4.360 4.590 . 0 0 "[ . 1 . 2]" 1
1140 1 24 ILE HG12 1 77 ARG HD2 . . 4.830 4.339 3.223 4.825 . 0 0 "[ . 1 . 2]" 1
1141 1 24 ILE HG13 1 77 ARG HD2 . . 3.700 3.051 2.109 3.553 . 0 0 "[ . 1 . 2]" 1
1142 1 73 ILE MG 1 78 ARG HA . . 3.930 2.213 1.972 2.570 . 0 0 "[ . 1 . 2]" 1
1143 1 73 ILE MD 1 78 ARG HB3 . . 4.850 4.689 4.512 4.837 . 0 0 "[ . 1 . 2]" 1
1144 1 78 ARG HB3 1 79 LEU H . . 4.740 3.681 3.531 3.889 . 0 0 "[ . 1 . 2]" 1
1145 1 78 ARG HG2 1 79 LEU H . . 4.400 2.304 2.127 2.540 . 0 0 "[ . 1 . 2]" 1
1146 1 78 ARG QD 1 79 LEU H . . 4.340 4.198 3.836 4.345 0.005 8 0 "[ . 1 . 2]" 1
1147 1 79 LEU HA 1 79 LEU HG . . 3.890 3.277 3.233 3.333 . 0 0 "[ . 1 . 2]" 1
1148 1 72 LEU HG 1 79 LEU HB2 . . 4.330 2.813 2.337 3.181 . 0 0 "[ . 1 . 2]" 1
1149 1 72 LEU HB2 1 79 LEU HB2 . . 4.920 4.778 4.540 4.928 0.008 2 0 "[ . 1 . 2]" 1
1150 1 79 LEU HG 1 80 ASN H . . 5.290 5.199 5.131 5.254 . 0 0 "[ . 1 . 2]" 1
1151 1 73 ILE HA 1 79 LEU MD1 . . 4.100 3.699 3.386 4.105 0.005 14 0 "[ . 1 . 2]" 1
1152 1 72 LEU HG 1 79 LEU MD2 . . 4.750 4.550 4.363 4.728 . 0 0 "[ . 1 . 2]" 1
1153 1 19 GLY HA2 1 79 LEU MD2 . . 4.320 4.039 3.831 4.213 . 0 0 "[ . 1 . 2]" 1
1154 1 79 LEU HA 1 79 LEU MD2 . . 2.990 2.025 1.972 2.244 . 0 0 "[ . 1 . 2]" 1
1155 1 79 LEU MD2 1 80 ASN H . . 3.900 3.664 3.507 3.782 . 0 0 "[ . 1 . 2]" 1
1156 1 15 LEU HB3 1 81 VAL MG1 . . 3.330 2.639 2.430 2.808 . 0 0 "[ . 1 . 2]" 1
1157 1 17 VAL HA 1 81 VAL MG1 . . 4.490 3.519 3.267 3.728 . 0 0 "[ . 1 . 2]" 1
1158 1 68 SER HA 1 81 VAL MG1 . . 5.050 4.224 4.004 4.407 . 0 0 "[ . 1 . 2]" 1
1159 1 69 PHE HA 1 81 VAL MG2 . . 4.530 4.212 3.828 4.531 0.001 11 0 "[ . 1 . 2]" 1
1160 1 82 LYS HA 1 82 LYS QD . . 4.480 4.336 4.239 4.455 . 0 0 "[ . 1 . 2]" 1
1161 1 12 ILE MG 1 83 TRP HB3 . . 4.250 3.564 3.142 3.795 . 0 0 "[ . 1 . 2]" 1
1162 1 12 ILE MG 1 83 TRP HB2 . . 5.270 5.069 4.718 5.279 0.009 15 0 "[ . 1 . 2]" 1
1163 1 83 TRP HB2 1 84 GLY H . . 4.460 4.300 4.079 4.462 0.002 5 0 "[ . 1 . 2]" 1
1164 1 83 TRP HA 1 84 GLY HA2 . . 4.420 4.361 4.339 4.387 . 0 0 "[ . 1 . 2]" 1
1165 1 15 LEU MD2 1 61 ALA MB . . 4.220 4.044 3.687 4.223 0.003 10 0 "[ . 1 . 2]" 1
1166 1 15 LEU MD1 1 61 ALA MB . . 4.080 3.173 2.916 3.382 . 0 0 "[ . 1 . 2]" 1
1167 1 61 ALA MB 1 62 GLU HG3 . . 4.610 3.857 3.647 4.430 . 0 0 "[ . 1 . 2]" 1
1168 1 61 ALA MB 1 62 GLU HG2 . . 4.870 4.377 3.288 4.618 . 0 0 "[ . 1 . 2]" 1
1169 1 61 ALA MB 1 62 GLU HB3 . . 5.290 5.161 5.073 5.248 . 0 0 "[ . 1 . 2]" 1
1170 1 78 ARG HA 1 79 LEU HG . . 4.750 3.517 3.411 3.683 . 0 0 "[ . 1 . 2]" 1
1171 1 74 VAL MG2 1 79 LEU HG . . 4.560 3.860 3.482 4.241 . 0 0 "[ . 1 . 2]" 1
1172 1 84 GLY HA3 1 85 ARG HA . . 5.130 4.393 4.355 4.470 . 0 0 "[ . 1 . 2]" 1
1173 1 12 ILE MD 1 85 ARG QG . . 4.580 3.982 2.484 4.587 0.007 14 0 "[ . 1 . 2]" 1
1174 1 82 LYS HA 1 83 TRP HB2 . . 4.890 4.530 4.478 4.570 . 0 0 "[ . 1 . 2]" 1
1175 1 81 VAL HA 1 82 LYS HA . . 4.670 4.447 4.423 4.473 . 0 0 "[ . 1 . 2]" 1
1176 1 16 TYR QD 1 82 LYS HB2 . . 4.600 4.266 4.132 4.426 . 0 0 "[ . 1 . 2]" 1
1177 1 82 LYS H 1 82 LYS QD . . 4.820 4.496 4.314 4.824 0.004 19 0 "[ . 1 . 2]" 1
1178 1 81 VAL HB 1 82 LYS H . . 4.820 4.009 3.862 4.149 . 0 0 "[ . 1 . 2]" 1
1179 1 68 SER HB2 1 81 VAL MG1 . . 3.690 2.398 1.918 2.738 . 0 0 "[ . 1 . 2]" 1
1180 1 66 GLU HA 1 69 PHE QD . . 4.560 3.801 3.395 4.132 . 0 0 "[ . 1 . 2]" 1
1181 1 65 ALA HA 1 66 GLU HA . . 5.300 4.749 4.704 4.784 . 0 0 "[ . 1 . 2]" 1
1182 1 77 ARG HA 1 77 ARG HG2 . . 3.810 2.859 2.656 3.404 . 0 0 "[ . 1 . 2]" 1
1183 1 69 PHE HA 1 71 LYS H . . 4.940 3.805 3.661 3.906 . 0 0 "[ . 1 . 2]" 1
1184 1 66 GLU HA 1 69 PHE HB3 . . 5.110 4.427 4.043 4.716 . 0 0 "[ . 1 . 2]" 1
1185 1 66 GLU HA 1 69 PHE HB2 . . 4.660 2.837 2.494 3.101 . 0 0 "[ . 1 . 2]" 1
1186 1 66 GLU HA 1 69 PHE QE . . 5.200 4.826 4.320 5.203 0.003 16 0 "[ . 1 . 2]" 1
1187 1 69 PHE HA 1 69 PHE QE . . 4.370 4.296 4.163 4.342 . 0 0 "[ . 1 . 2]" 1
1188 1 69 PHE QE 1 82 LYS H . . 5.500 4.816 4.429 5.153 . 0 0 "[ . 1 . 2]" 1
1189 1 69 PHE QE 1 81 VAL HB . . 5.300 4.745 4.319 5.035 . 0 0 "[ . 1 . 2]" 1
1190 1 15 LEU HG 1 69 PHE QE . . 5.500 5.463 5.263 5.514 0.014 16 0 "[ . 1 . 2]" 1
1191 1 15 LEU HB3 1 69 PHE QE . . 5.500 5.060 4.619 5.453 . 0 0 "[ . 1 . 2]" 1
1192 1 69 PHE QE 1 81 VAL MG1 . . 3.680 3.105 2.434 3.515 . 0 0 "[ . 1 . 2]" 1
1193 1 15 LEU MD1 1 69 PHE QE . . 4.920 4.379 4.149 4.723 . 0 0 "[ . 1 . 2]" 1
1194 1 69 PHE QD 1 83 TRP HE1 . . 5.500 5.345 5.167 5.497 . 0 0 "[ . 1 . 2]" 1
1195 1 69 PHE QD 1 82 LYS H . . 5.500 5.357 5.113 5.510 0.010 10 0 "[ . 1 . 2]" 1
1196 1 69 PHE QD 1 83 TRP HD1 . . 5.500 5.369 5.154 5.492 . 0 0 "[ . 1 . 2]" 1
1197 1 67 LYS H 1 69 PHE QD . . 5.380 5.365 5.289 5.397 0.017 20 0 "[ . 1 . 2]" 1
1198 1 69 PHE QD 1 82 LYS HA . . 4.880 4.226 3.961 4.414 . 0 0 "[ . 1 . 2]" 1
1199 1 65 ALA MB 1 69 PHE QD . . 4.400 3.668 3.445 3.960 . 0 0 "[ . 1 . 2]" 1
1200 1 13 THR HA 1 83 TRP HH2 . . 4.640 4.296 4.033 4.419 . 0 0 "[ . 1 . 2]" 1
1201 1 62 GLU HG3 1 83 TRP HH2 . . 4.080 3.568 3.110 4.089 0.009 14 0 "[ . 1 . 2]" 1
1202 1 62 GLU HG2 1 83 TRP HH2 . . 4.100 3.231 2.337 3.489 . 0 0 "[ . 1 . 2]" 1
1203 1 62 GLU HB2 1 83 TRP HH2 . . 5.040 4.505 4.087 4.757 . 0 0 "[ . 1 . 2]" 1
1204 1 62 GLU HB3 1 83 TRP HH2 . . 4.980 4.857 4.475 4.990 0.010 13 0 "[ . 1 . 2]" 1
1205 1 61 ALA MB 1 83 TRP HH2 . . 3.520 2.250 1.979 2.495 . 0 0 "[ . 1 . 2]" 1
1206 1 15 LEU MD2 1 83 TRP HH2 . . 5.050 3.709 3.414 4.135 . 0 0 "[ . 1 . 2]" 1
1207 1 65 ALA H 1 83 TRP HH2 . . 5.500 4.649 4.373 4.954 . 0 0 "[ . 1 . 2]" 1
1208 1 12 ILE MG 1 83 TRP HH2 . . 5.500 5.138 4.857 5.419 . 0 0 "[ . 1 . 2]" 1
1209 1 13 THR MG 1 83 TRP HH2 . . 5.500 5.469 5.231 5.506 0.006 9 0 "[ . 1 . 2]" 1
1210 1 14 THR H 1 83 TRP HZ3 . . 4.570 3.025 2.682 3.989 . 0 0 "[ . 1 . 2]" 1
1211 1 62 GLU HA 1 83 TRP HZ3 . . 5.130 4.890 4.554 5.035 . 0 0 "[ . 1 . 2]" 1
1212 1 58 ARG HD3 1 83 TRP HZ3 . . 5.500 4.353 3.467 4.813 . 0 0 "[ . 1 . 2]" 1
1213 1 58 ARG HD2 1 83 TRP HZ3 . . 5.500 3.712 3.532 4.057 . 0 0 "[ . 1 . 2]" 1
1214 1 12 ILE MD 1 83 TRP HZ3 . . 5.500 5.175 4.961 5.500 . 0 0 "[ . 1 . 2]" 1
1215 1 15 LEU MD1 1 83 TRP HZ3 . . 5.160 3.961 3.448 4.247 . 0 0 "[ . 1 . 2]" 1
1216 1 66 GLU H 1 83 TRP HZ2 . . 5.090 4.820 4.390 5.088 . 0 0 "[ . 1 . 2]" 1
1217 1 62 GLU HA 1 83 TRP HZ2 . . 3.430 2.256 1.996 2.533 . 0 0 "[ . 1 . 2]" 1
1218 1 62 GLU HG3 1 83 TRP HZ2 . . 4.400 4.040 3.608 4.398 . 0 0 "[ . 1 . 2]" 1
1219 1 62 GLU HG2 1 83 TRP HZ2 . . 3.870 2.664 2.188 3.015 . 0 0 "[ . 1 . 2]" 1
1220 1 62 GLU HB3 1 83 TRP HZ2 . . 4.800 4.363 3.836 4.618 . 0 0 "[ . 1 . 2]" 1
1221 1 61 ALA MB 1 83 TRP HZ2 . . 4.650 4.366 4.167 4.554 . 0 0 "[ . 1 . 2]" 1
1222 1 65 ALA MB 1 83 TRP HZ2 . . 3.510 2.406 2.183 2.609 . 0 0 "[ . 1 . 2]" 1
1223 1 15 LEU MD1 1 83 TRP HE3 . . 5.500 4.801 4.436 5.009 . 0 0 "[ . 1 . 2]" 1
1224 1 65 ALA MB 1 83 TRP HE3 . . 5.500 4.576 4.371 4.734 . 0 0 "[ . 1 . 2]" 1
1225 1 83 TRP H 1 83 TRP HD1 . . 3.790 3.302 3.044 3.571 . 0 0 "[ . 1 . 2]" 1
1226 1 69 PHE QE 1 83 TRP HD1 . . 4.210 3.400 3.111 3.518 . 0 0 "[ . 1 . 2]" 1
1227 1 69 PHE HZ 1 83 TRP HD1 . . 4.070 2.045 1.994 2.225 . 0 0 "[ . 1 . 2]" 1
1228 1 82 LYS HA 1 83 TRP HD1 . . 5.040 4.891 4.667 5.050 0.010 4 0 "[ . 1 . 2]" 1
1229 1 83 TRP HB2 1 83 TRP HD1 . . 3.560 2.553 2.547 2.566 . 0 0 "[ . 1 . 2]" 1
1230 1 65 ALA MB 1 83 TRP HD1 . . 5.130 4.427 4.249 4.678 . 0 0 "[ . 1 . 2]" 1
1231 1 16 TYR QD 1 82 LYS H . . 3.710 2.115 1.886 2.395 . 0 0 "[ . 1 . 2]" 1
1232 1 16 TYR QD 1 52 PHE HZ . . 3.650 2.641 2.172 3.154 . 0 0 "[ . 1 . 2]" 1
1233 1 16 TYR QD 1 81 VAL HA . . 4.380 2.678 2.342 2.983 . 0 0 "[ . 1 . 2]" 1
1234 1 16 TYR QD 1 84 GLY HA2 . . 5.290 5.115 4.638 5.290 0.000 7 0 "[ . 1 . 2]" 1
1235 1 16 TYR QD 1 18 GLY HA3 . . 5.160 4.902 4.786 5.019 . 0 0 "[ . 1 . 2]" 1
1236 1 16 TYR QD 1 82 LYS HB3 . . 4.600 3.796 3.053 4.371 . 0 0 "[ . 1 . 2]" 1
1237 1 16 TYR QD 1 82 LYS QD . . 4.120 3.634 3.151 3.931 . 0 0 "[ . 1 . 2]" 1
1238 1 16 TYR QD 1 82 LYS HG3 . . 3.950 2.658 1.989 3.694 . 0 0 "[ . 1 . 2]" 1
1239 1 16 TYR QD 1 81 VAL MG2 . . 4.990 4.434 4.154 4.822 . 0 0 "[ . 1 . 2]" 1
1240 1 16 TYR QE 1 51 ALA H . . 5.160 4.683 4.413 4.853 . 0 0 "[ . 1 . 2]" 1
1241 1 16 TYR QE 1 17 VAL H . . 5.110 4.188 3.951 4.393 . 0 0 "[ . 1 . 2]" 1
1242 1 16 TYR QE 1 52 PHE QE . . 4.560 4.322 3.842 4.564 0.004 6 0 "[ . 1 . 2]" 1
1243 1 16 TYR QE 1 52 PHE HZ . . 4.850 4.323 3.759 4.763 . 0 0 "[ . 1 . 2]" 1
1244 1 16 TYR QE 1 17 VAL HA . . 4.080 3.714 3.539 3.895 . 0 0 "[ . 1 . 2]" 1
1245 1 16 TYR QE 1 18 GLY HA3 . . 3.680 3.116 2.860 3.383 . 0 0 "[ . 1 . 2]" 1
1246 1 16 TYR QE 1 82 LYS HB3 . . 5.500 4.660 3.921 5.285 . 0 0 "[ . 1 . 2]" 1
1247 1 16 TYR QE 1 82 LYS HB2 . . 5.500 5.514 5.490 5.555 0.055 8 0 "[ . 1 . 2]" 1
1248 1 16 TYR QE 1 82 LYS QD . . 4.490 3.938 2.991 4.523 0.033 18 0 "[ . 1 . 2]" 1
1249 1 16 TYR QE 1 17 VAL MG1 . . 5.500 4.901 4.714 5.050 . 0 0 "[ . 1 . 2]" 1
1250 1 34 TYR QE 1 39 ILE MD . . 5.500 5.497 5.450 5.515 0.015 12 0 "[ . 1 . 2]" 1
1251 1 34 TYR QD 1 39 ILE H . . 4.960 4.106 3.698 4.625 . 0 0 "[ . 1 . 2]" 1
1252 1 33 PHE H 1 34 TYR QD . . 5.500 5.530 5.517 5.547 0.047 18 0 "[ . 1 . 2]" 1
1253 1 31 ASN H 1 34 TYR QD . . 5.500 5.509 5.501 5.518 0.018 9 0 "[ . 1 . 2]" 1
1254 1 31 ASN HA 1 34 TYR QD . . 3.510 2.771 2.750 2.785 . 0 0 "[ . 1 . 2]" 1
1255 1 34 TYR QD 1 39 ILE HG13 . . 4.790 4.052 3.821 4.260 . 0 0 "[ . 1 . 2]" 1
1256 1 30 ARG QG 1 34 TYR QD . . 4.810 4.643 4.546 4.770 . 0 0 "[ . 1 . 2]" 1
1257 1 34 TYR QD 1 35 GLN HB3 . . 5.260 3.975 3.873 4.096 . 0 0 "[ . 1 . 2]" 1
1258 1 33 PHE HZ 1 81 VAL HB . . 5.500 5.386 5.125 5.505 0.005 20 0 "[ . 1 . 2]" 1
1259 1 33 PHE HZ 1 72 LEU HB3 . . 5.140 4.631 4.250 4.958 . 0 0 "[ . 1 . 2]" 1
1260 1 33 PHE HZ 1 72 LEU MD2 . . 3.400 2.268 1.998 2.598 . 0 0 "[ . 1 . 2]" 1
1261 1 53 ILE HB 1 55 PHE QE . . 4.000 2.906 2.534 3.324 . 0 0 "[ . 1 . 2]" 1
1262 1 33 PHE QD 1 36 PHE QD . . 3.500 2.822 2.187 3.530 0.030 16 0 "[ . 1 . 2]" 1
1263 1 33 PHE QD 1 55 PHE HZ . . 3.560 2.130 1.992 2.407 . 0 0 "[ . 1 . 2]" 1
1264 1 33 PHE QD 1 36 PHE QE . . 4.210 3.304 2.516 4.097 . 0 0 "[ . 1 . 2]" 1
1265 1 29 LEU HA 1 33 PHE QD . . 4.170 3.152 2.830 3.323 . 0 0 "[ . 1 . 2]" 1
1266 1 29 LEU HB2 1 33 PHE QD . . 4.750 3.645 3.445 3.835 . 0 0 "[ . 1 . 2]" 1
1267 1 29 LEU HB3 1 33 PHE QD . . 4.110 2.483 2.338 2.664 . 0 0 "[ . 1 . 2]" 1
1268 1 33 PHE QD 1 81 VAL MG1 . . 5.500 5.461 5.320 5.519 0.019 20 0 "[ . 1 . 2]" 1
1269 1 33 PHE QD 1 64 ALA MB . . 3.560 1.981 1.909 2.158 . 0 0 "[ . 1 . 2]" 1
1270 1 33 PHE QD 1 53 ILE QG . . 3.970 2.952 2.202 3.250 . 0 0 "[ . 1 . 2]" 1
1271 1 36 PHE QD 1 67 LYS HB2 . . 5.320 4.546 4.141 4.911 . 0 0 "[ . 1 . 2]" 1
1272 1 35 GLN HG3 1 36 PHE QD . . 5.450 3.214 2.543 3.607 . 0 0 "[ . 1 . 2]" 1
1273 1 35 GLN HG2 1 36 PHE QD . . 5.450 3.176 2.229 3.695 . 0 0 "[ . 1 . 2]" 1
1274 1 36 PHE QE 1 67 LYS HB2 . . 4.060 2.790 2.047 3.390 . 0 0 "[ . 1 . 2]" 1
1275 1 35 GLN HG3 1 36 PHE QE . . 5.240 3.886 3.394 4.246 . 0 0 "[ . 1 . 2]" 1
1276 1 36 PHE QE 1 64 ALA MB . . 4.830 2.796 2.267 3.438 . 0 0 "[ . 1 . 2]" 1
1277 1 35 GLN HG2 1 36 PHE QE . . 5.240 3.724 3.010 4.189 . 0 0 "[ . 1 . 2]" 1
1278 1 33 PHE QD 1 36 PHE HZ . . 5.500 5.242 4.793 5.501 0.001 18 0 "[ . 1 . 2]" 1
1279 1 36 PHE HZ 1 67 LYS H . . 5.500 4.723 4.372 5.350 . 0 0 "[ . 1 . 2]" 1
1280 1 36 PHE HZ 1 67 LYS HB2 . . 3.980 2.561 2.137 3.474 . 0 0 "[ . 1 . 2]" 1
1281 1 16 TYR HB2 1 52 PHE HZ . . 5.250 3.382 3.128 3.704 . 0 0 "[ . 1 . 2]" 1
1282 1 52 PHE HZ 1 84 GLY HA2 . . 5.500 4.820 4.428 5.302 . 0 0 "[ . 1 . 2]" 1
1283 1 16 TYR H 1 52 PHE QE . . 5.460 4.498 3.928 5.151 . 0 0 "[ . 1 . 2]" 1
1284 1 52 PHE H 1 52 PHE QE . . 5.260 5.156 5.012 5.281 0.021 7 0 "[ . 1 . 2]" 1
1285 1 16 TYR QD 1 52 PHE QE . . 4.160 3.059 2.778 3.346 . 0 0 "[ . 1 . 2]" 1
1286 1 52 PHE HA 1 52 PHE QE . . 4.980 4.475 4.371 4.538 . 0 0 "[ . 1 . 2]" 1
1287 1 52 PHE QE 1 84 GLY HA2 . . 4.600 2.814 2.342 3.179 . 0 0 "[ . 1 . 2]" 1
1288 1 43 THR HB 1 52 PHE QE . . 5.500 5.278 5.098 5.478 . 0 0 "[ . 1 . 2]" 1
1289 1 16 TYR HB3 1 52 PHE QE . . 4.780 3.639 3.360 4.120 . 0 0 "[ . 1 . 2]" 1
1290 1 14 THR MG 1 52 PHE QE . . 4.240 3.752 3.563 4.161 . 0 0 "[ . 1 . 2]" 1
1291 1 45 VAL MG2 1 52 PHE QE . . 3.990 3.533 2.918 3.989 . 0 0 "[ . 1 . 2]" 1
1292 1 16 TYR H 1 52 PHE QD . . 5.500 4.372 4.017 4.855 . 0 0 "[ . 1 . 2]" 1
1293 1 16 TYR QD 1 52 PHE QD . . 4.530 4.123 3.958 4.308 . 0 0 "[ . 1 . 2]" 1
1294 1 16 TYR HA 1 52 PHE QD . . 4.570 3.164 2.875 3.453 . 0 0 "[ . 1 . 2]" 1
1295 1 52 PHE QD 1 84 GLY HA2 . . 4.590 4.237 3.693 4.527 . 0 0 "[ . 1 . 2]" 1
1296 1 52 PHE QD 1 84 GLY HA3 . . 4.870 3.523 3.160 3.877 . 0 0 "[ . 1 . 2]" 1
1297 1 16 TYR HB3 1 52 PHE QD . . 4.830 4.573 4.451 4.833 0.003 6 0 "[ . 1 . 2]" 1
1298 1 45 VAL MG2 1 52 PHE QD . . 3.600 3.228 3.012 3.583 . 0 0 "[ . 1 . 2]" 1
1299 1 33 PHE H 1 55 PHE HZ . . 5.500 5.507 5.485 5.531 0.031 5 0 "[ . 1 . 2]" 1
1300 1 33 PHE HA 1 55 PHE HZ . . 4.940 3.767 3.673 3.908 . 0 0 "[ . 1 . 2]" 1
1301 1 36 PHE HB3 1 55 PHE HZ . . 5.050 5.000 4.819 5.062 0.012 14 0 "[ . 1 . 2]" 1
1302 1 36 PHE HB2 1 55 PHE HZ . . 4.590 3.828 3.646 3.900 . 0 0 "[ . 1 . 2]" 1
1303 1 53 ILE HB 1 55 PHE HZ . . 5.330 3.956 3.776 4.172 . 0 0 "[ . 1 . 2]" 1
1304 1 15 LEU HB2 1 55 PHE HZ . . 5.500 4.931 4.784 5.137 . 0 0 "[ . 1 . 2]" 1
1305 1 55 PHE HZ 1 60 ALA MB . . 5.500 4.339 4.218 4.596 . 0 0 "[ . 1 . 2]" 1
1306 1 15 LEU MD1 1 55 PHE HZ . . 4.760 3.646 3.244 3.891 . 0 0 "[ . 1 . 2]" 1
1307 1 39 ILE HG12 1 55 PHE HZ . . 5.160 3.801 3.533 4.026 . 0 0 "[ . 1 . 2]" 1
1308 1 14 THR HA 1 55 PHE QD . . 5.160 3.525 3.152 3.747 . 0 0 "[ . 1 . 2]" 1
1309 1 54 GLN HA 1 55 PHE QD . . 4.750 3.369 3.145 3.570 . 0 0 "[ . 1 . 2]" 1
1310 1 13 THR HB 1 55 PHE QD . . 5.160 3.945 3.660 4.128 . 0 0 "[ . 1 . 2]" 1
1311 1 37 GLY HA3 1 55 PHE QD . . 5.030 3.747 3.487 3.966 . 0 0 "[ . 1 . 2]" 1
1312 1 39 ILE HG13 1 55 PHE QD . . 4.690 3.844 3.625 4.131 . 0 0 "[ . 1 . 2]" 1
1313 1 55 PHE QD 1 64 ALA MB . . 4.900 4.355 4.041 4.503 . 0 0 "[ . 1 . 2]" 1
1314 1 39 ILE MD 1 55 PHE QD . . 5.490 4.793 4.655 4.968 . 0 0 "[ . 1 . 2]" 1
1315 1 68 SER HA 1 72 LEU MD1 . . 4.340 3.828 3.734 3.956 . 0 0 "[ . 1 . 2]" 1
1316 1 68 SER HB3 1 81 VAL MG1 . . 3.690 2.492 1.909 3.366 . 0 0 "[ . 1 . 2]" 1
1317 1 68 SER HB3 1 81 VAL MG2 . . 4.210 2.577 1.920 3.609 . 0 0 "[ . 1 . 2]" 1
1318 1 68 SER HB2 1 72 LEU MD1 . . 5.290 4.888 4.062 5.299 0.009 20 0 "[ . 1 . 2]" 1
1319 1 68 SER HB3 1 72 LEU MD1 . . 5.290 4.420 3.977 4.866 . 0 0 "[ . 1 . 2]" 1
1320 1 68 SER HB2 1 69 PHE H . . 4.490 3.402 2.935 4.040 . 0 0 "[ . 1 . 2]" 1
1321 1 68 SER HB3 1 69 PHE H . . 4.490 3.838 3.512 4.113 . 0 0 "[ . 1 . 2]" 1
1322 1 68 SER HB2 1 69 PHE QD . . 4.810 3.656 3.220 4.281 . 0 0 "[ . 1 . 2]" 1
1323 1 68 SER HB3 1 69 PHE QD . . 4.810 4.205 3.720 4.794 . 0 0 "[ . 1 . 2]" 1
1324 1 68 SER HB2 1 72 LEU HB2 . . 4.470 3.882 2.932 4.470 . 0 0 "[ . 1 . 2]" 1
1325 1 68 SER HB3 1 72 LEU HB2 . . 4.470 3.419 2.995 3.783 . 0 0 "[ . 1 . 2]" 1
1326 1 63 VAL MG1 1 67 LYS HB2 . . 4.760 3.482 3.274 3.636 . 0 0 "[ . 1 . 2]" 1
1327 1 67 LYS HB2 1 71 LYS QE . . 5.500 4.789 4.286 5.275 . 0 0 "[ . 1 . 2]" 1
1328 1 36 PHE QE 1 67 LYS QG . . 3.920 3.009 2.382 3.918 . 0 0 "[ . 1 . 2]" 1
1329 1 67 LYS QD 1 71 LYS QZ . . 5.370 3.673 1.962 4.845 . 0 0 "[ . 1 . 2]" 1
1330 1 36 PHE QE 1 67 LYS QD . . 4.390 2.097 1.978 2.891 . 0 0 "[ . 1 . 2]" 1
1331 1 62 GLU HB3 1 65 ALA H . . 5.500 5.264 5.105 5.456 . 0 0 "[ . 1 . 2]" 1
1332 1 62 GLU HB3 1 63 VAL MG2 . . 4.950 3.676 3.549 3.793 . 0 0 "[ . 1 . 2]" 1
1333 1 62 GLU HB3 1 65 ALA MB . . 5.350 4.281 4.075 4.409 . 0 0 "[ . 1 . 2]" 1
1334 1 62 GLU HB3 1 63 VAL MG1 . . 5.500 5.468 5.380 5.537 0.037 14 0 "[ . 1 . 2]" 1
1335 1 65 ALA MB 1 69 PHE QE . . 4.020 2.680 2.359 2.982 . 0 0 "[ . 1 . 2]" 1
1336 1 65 ALA MB 1 69 PHE HZ . . 4.270 3.791 3.330 4.172 . 0 0 "[ . 1 . 2]" 1
1337 1 65 ALA MB 1 66 GLU HB2 . . 5.040 3.870 3.622 4.524 . 0 0 "[ . 1 . 2]" 1
1338 1 65 ALA MB 1 66 GLU HB3 . . 5.040 4.684 4.148 5.058 0.018 7 0 "[ . 1 . 2]" 1
1339 1 15 LEU MD2 1 64 ALA MB . . 4.420 4.203 3.759 4.421 0.001 8 0 "[ . 1 . 2]" 1
1340 1 15 LEU MD1 1 64 ALA MB . . 3.200 2.249 1.936 2.503 . 0 0 "[ . 1 . 2]" 1
1341 1 15 LEU HB2 1 64 ALA MB . . 4.750 4.380 4.098 4.646 . 0 0 "[ . 1 . 2]" 1
1342 1 60 ALA MB 1 64 ALA MB . . 4.940 3.891 3.691 4.052 . 0 0 "[ . 1 . 2]" 1
1343 1 61 ALA MB 1 64 ALA MB . . 4.650 4.286 4.048 4.414 . 0 0 "[ . 1 . 2]" 1
1344 1 64 ALA MB 1 67 LYS HB2 . . 4.890 4.019 3.832 4.185 . 0 0 "[ . 1 . 2]" 1
1345 1 60 ALA HA 1 64 ALA MB . . 4.960 4.498 4.381 4.589 . 0 0 "[ . 1 . 2]" 1
1346 1 63 VAL HB 1 64 ALA MB . . 4.850 3.679 3.591 3.811 . 0 0 "[ . 1 . 2]" 1
1347 1 36 PHE QD 1 63 VAL HB . . 4.520 2.788 2.038 3.706 . 0 0 "[ . 1 . 2]" 1
1348 1 36 PHE HB2 1 63 VAL MG1 . . 4.850 4.792 4.581 4.882 0.032 18 0 "[ . 1 . 2]" 1
1349 1 36 PHE HB3 1 63 VAL MG1 . . 3.830 3.552 3.247 3.655 . 0 0 "[ . 1 . 2]" 1
1350 1 60 ALA HA 1 63 VAL MG1 . . 4.300 4.196 4.037 4.303 0.003 10 0 "[ . 1 . 2]" 1
1351 1 36 PHE QE 1 63 VAL MG1 . . 3.930 2.250 1.957 3.205 . 0 0 "[ . 1 . 2]" 1
1352 1 36 PHE QD 1 63 VAL MG1 . . 3.310 1.972 1.805 2.226 . 0 0 "[ . 1 . 2]" 1
1353 1 59 GLN QG 1 63 VAL MG2 . . 3.940 3.219 2.968 3.781 . 0 0 "[ . 1 . 2]" 1
1354 1 36 PHE HB2 1 63 VAL MG2 . . 5.500 5.496 5.407 5.567 0.067 16 0 "[ . 1 . 2]" 1
1355 1 36 PHE HB3 1 63 VAL MG2 . . 4.560 4.025 3.932 4.083 . 0 0 "[ . 1 . 2]" 1
1356 1 36 PHE QD 1 63 VAL MG2 . . 4.460 3.777 3.469 4.399 . 0 0 "[ . 1 . 2]" 1
1357 1 62 GLU HB2 1 83 TRP HZ2 . . 5.440 4.921 4.600 5.172 . 0 0 "[ . 1 . 2]" 1
1358 1 58 ARG HG3 1 62 GLU HG3 . . 4.240 2.149 1.997 2.351 . 0 0 "[ . 1 . 2]" 1
1359 1 58 ARG HG2 1 62 GLU HG3 . . 4.720 3.104 2.703 3.426 . 0 0 "[ . 1 . 2]" 1
1360 1 58 ARG HD2 1 62 GLU HG3 . . 4.390 3.241 2.075 3.804 . 0 0 "[ . 1 . 2]" 1
1361 1 62 GLU HA 1 62 GLU HG2 . . 3.620 2.223 2.164 2.505 . 0 0 "[ . 1 . 2]" 1
1362 1 62 GLU HG2 1 63 VAL H . . 4.970 4.799 4.482 4.897 . 0 0 "[ . 1 . 2]" 1
1363 1 55 PHE HB3 1 61 ALA HA . . 4.810 4.571 4.438 4.757 . 0 0 "[ . 1 . 2]" 1
1364 1 13 THR HA 1 61 ALA HA . . 4.730 4.716 4.646 4.746 0.016 14 0 "[ . 1 . 2]" 1
1365 1 61 ALA MB 1 83 TRP HZ3 . . 3.260 2.503 2.130 2.859 . 0 0 "[ . 1 . 2]" 1
1366 1 61 ALA MB 1 63 VAL H . . 5.080 4.616 4.427 4.784 . 0 0 "[ . 1 . 2]" 1
1367 1 61 ALA MB 1 83 TRP HE3 . . 5.500 4.595 4.299 4.889 . 0 0 "[ . 1 . 2]" 1
1368 1 58 ARG H 1 61 ALA MB . . 5.260 4.352 4.238 4.496 . 0 0 "[ . 1 . 2]" 1
1369 1 59 GLN QG 1 60 ALA HA . . 4.830 4.120 3.782 4.827 . 0 0 "[ . 1 . 2]" 1
1370 1 36 PHE HB3 1 60 ALA HA . . 4.470 2.881 2.734 3.135 . 0 0 "[ . 1 . 2]" 1
1371 1 59 GLN HB3 1 60 ALA MB . . 4.080 3.544 3.462 3.625 . 0 0 "[ . 1 . 2]" 1
1372 1 60 ALA MB 1 61 ALA HA . . 4.560 3.720 3.626 3.818 . 0 0 "[ . 1 . 2]" 1
1373 1 59 GLN H 1 60 ALA MB . . 5.430 4.755 4.682 4.832 . 0 0 "[ . 1 . 2]" 1
1374 1 60 ALA MB 1 62 GLU H . . 5.500 4.839 4.636 4.961 . 0 0 "[ . 1 . 2]" 1
1375 1 56 ALA H 1 60 ALA MB . . 4.680 4.473 4.254 4.686 0.006 9 0 "[ . 1 . 2]" 1
1376 1 59 GLN HA 1 60 ALA MB . . 5.160 5.035 5.028 5.049 . 0 0 "[ . 1 . 2]" 1
1377 1 58 ARG HG3 1 59 GLN HA . . 4.510 3.715 3.492 3.897 . 0 0 "[ . 1 . 2]" 1
1378 1 59 GLN HA 1 61 ALA H . . 4.960 4.615 4.408 4.966 0.006 14 0 "[ . 1 . 2]" 1
1379 1 57 THR HB 1 59 GLN HB3 . . 4.830 3.370 3.157 3.573 . 0 0 "[ . 1 . 2]" 1
1380 1 57 THR HB 1 59 GLN QG . . 5.000 4.684 4.554 4.858 . 0 0 "[ . 1 . 2]" 1
1381 1 58 ARG HA 1 62 GLU HG3 . . 4.990 4.751 4.559 4.960 . 0 0 "[ . 1 . 2]" 1
1382 1 58 ARG HA 1 60 ALA H . . 5.190 4.667 4.517 4.780 . 0 0 "[ . 1 . 2]" 1
1383 1 13 THR MG 1 58 ARG HG2 . . 5.100 4.241 3.964 4.712 . 0 0 "[ . 1 . 2]" 1
1384 1 58 ARG HG2 1 59 GLN H . . 5.250 4.608 4.239 4.730 . 0 0 "[ . 1 . 2]" 1
1385 1 58 ARG HG2 1 62 GLU H . . 5.500 4.744 4.424 5.044 . 0 0 "[ . 1 . 2]" 1
1386 1 58 ARG HG3 1 62 GLU H . . 4.940 3.088 2.710 3.399 . 0 0 "[ . 1 . 2]" 1
1387 1 58 ARG HD3 1 62 GLU HG3 . . 4.390 4.024 3.527 4.406 0.016 14 0 "[ . 1 . 2]" 1
1388 1 58 ARG HD3 1 83 TRP HH2 . . 4.770 4.119 3.288 4.497 . 0 0 "[ . 1 . 2]" 1
1389 1 13 THR MG 1 57 THR HA . . 4.220 3.349 3.149 3.523 . 0 0 "[ . 1 . 2]" 1
1390 1 57 THR HA 1 58 ARG HB3 . . 4.570 4.527 4.456 4.584 0.014 14 0 "[ . 1 . 2]" 1
1391 1 56 ALA MB 1 57 THR MG . . 3.140 2.739 2.511 2.962 . 0 0 "[ . 1 . 2]" 1
1392 1 57 THR MG 1 59 GLN HB2 . . 4.650 4.337 4.223 4.464 . 0 0 "[ . 1 . 2]" 1
1393 1 57 THR MG 1 59 GLN HB3 . . 4.760 4.524 4.418 4.637 . 0 0 "[ . 1 . 2]" 1
1394 1 57 THR MG 1 60 ALA H . . 5.050 4.946 4.848 5.051 0.001 16 0 "[ . 1 . 2]" 1
1395 1 55 PHE HB2 1 56 ALA MB . . 5.360 5.250 5.170 5.323 . 0 0 "[ . 1 . 2]" 1
1396 1 55 PHE HB3 1 56 ALA MB . . 4.440 4.296 4.190 4.396 . 0 0 "[ . 1 . 2]" 1
1397 1 40 ARG HA 1 56 ALA MB . . 4.640 3.925 3.756 4.129 . 0 0 "[ . 1 . 2]" 1
1398 1 40 ARG H 1 56 ALA MB . . 4.760 4.155 3.863 4.439 . 0 0 "[ . 1 . 2]" 1
1399 1 13 THR MG 1 55 PHE HB2 . . 4.930 3.840 3.634 4.046 . 0 0 "[ . 1 . 2]" 1
1400 1 41 THR HB 1 54 GLN HB2 . . 5.500 4.873 4.585 5.066 . 0 0 "[ . 1 . 2]" 1
1401 1 14 THR HA 1 54 GLN HG2 . . 5.100 4.749 4.496 5.055 . 0 0 "[ . 1 . 2]" 1
1402 1 14 THR MG 1 54 GLN HG3 . . 4.820 3.439 2.956 3.707 . 0 0 "[ . 1 . 2]" 1
1403 1 14 THR HA 1 54 GLN HG3 . . 4.810 3.342 3.147 3.582 . 0 0 "[ . 1 . 2]" 1
1404 1 54 GLN H 1 54 GLN HG3 . . 4.700 4.532 4.475 4.596 . 0 0 "[ . 1 . 2]" 1
1405 1 14 THR MG 1 53 ILE HA . . 4.660 4.383 4.182 4.573 . 0 0 "[ . 1 . 2]" 1
1406 1 53 ILE HA 1 54 GLN HB2 . . 4.570 4.406 4.288 4.478 . 0 0 "[ . 1 . 2]" 1
1407 1 52 PHE QB 1 53 ILE HA . . 5.220 4.385 4.312 4.420 . 0 0 "[ . 1 . 2]" 1
1408 1 52 PHE HA 1 53 ILE HB . . 4.960 4.812 4.536 4.941 . 0 0 "[ . 1 . 2]" 1
1409 1 42 ILE HA 1 53 ILE QG . . 5.200 4.584 3.609 4.956 . 0 0 "[ . 1 . 2]" 1
1410 1 43 THR H 1 53 ILE QG . . 5.500 5.363 4.889 5.514 0.014 20 0 "[ . 1 . 2]" 1
1411 1 52 PHE H 1 53 ILE QG . . 5.500 4.711 4.620 4.895 . 0 0 "[ . 1 . 2]" 1
1412 1 53 ILE QG 1 54 GLN H . . 5.070 4.599 4.015 4.808 . 0 0 "[ . 1 . 2]" 1
1413 1 15 LEU HB2 1 53 ILE MG . . 4.360 4.080 3.509 4.363 0.003 18 0 "[ . 1 . 2]" 1
1414 1 33 PHE HB3 1 53 ILE MG . . 4.100 2.511 2.365 2.672 . 0 0 "[ . 1 . 2]" 1
1415 1 33 PHE HB2 1 53 ILE MG . . 3.940 2.693 2.504 2.945 . 0 0 "[ . 1 . 2]" 1
1416 1 39 ILE HA 1 53 ILE MG . . 4.770 3.899 3.751 4.056 . 0 0 "[ . 1 . 2]" 1
1417 1 53 ILE MG 1 55 PHE QE . . 3.620 2.657 2.205 2.993 . 0 0 "[ . 1 . 2]" 1
1418 1 53 ILE MG 1 55 PHE QD . . 3.960 3.630 3.104 3.845 . 0 0 "[ . 1 . 2]" 1
1419 1 33 PHE QD 1 53 ILE MG . . 4.300 2.930 2.753 3.060 . 0 0 "[ . 1 . 2]" 1
1420 1 15 LEU H 1 53 ILE MG . . 4.660 4.413 3.879 4.654 . 0 0 "[ . 1 . 2]" 1
1421 1 29 LEU HB3 1 53 ILE MD . . 3.290 2.551 2.440 2.728 . 0 0 "[ . 1 . 2]" 1
1422 1 29 LEU HB2 1 53 ILE MD . . 3.910 3.061 2.809 3.368 . 0 0 "[ . 1 . 2]" 1
1423 1 33 PHE HB3 1 53 ILE MD . . 4.950 4.497 4.167 4.884 . 0 0 "[ . 1 . 2]" 1
1424 1 33 PHE HB2 1 53 ILE MD . . 4.430 3.763 3.337 4.437 0.007 16 0 "[ . 1 . 2]" 1
1425 1 52 PHE HA 1 53 ILE MD . . 4.700 3.997 3.135 4.360 . 0 0 "[ . 1 . 2]" 1
1426 1 33 PHE QD 1 53 ILE MD . . 3.710 2.669 2.290 3.384 . 0 0 "[ . 1 . 2]" 1
1427 1 43 THR H 1 53 ILE MD . . 5.090 4.489 4.135 5.093 0.003 7 0 "[ . 1 . 2]" 1
1428 1 53 ILE MD 1 54 GLN H . . 5.060 4.257 3.938 4.991 . 0 0 "[ . 1 . 2]" 1
1429 1 15 LEU H 1 53 ILE MD . . 5.470 5.212 4.409 5.478 0.008 4 0 "[ . 1 . 2]" 1
1430 1 53 ILE MD 1 55 PHE HZ . . 5.500 5.008 4.854 5.157 . 0 0 "[ . 1 . 2]" 1
1431 1 43 THR HB 1 52 PHE HA . . 5.500 5.089 4.893 5.275 . 0 0 "[ . 1 . 2]" 1
1432 1 52 PHE HA 1 53 ILE HA . . 4.710 4.406 4.388 4.416 . 0 0 "[ . 1 . 2]" 1
1433 1 51 ALA HA 1 52 PHE QB . . 4.530 4.192 4.159 4.226 . 0 0 "[ . 1 . 2]" 1
1434 1 29 LEU HB3 1 51 ALA MB . . 4.330 4.170 4.015 4.307 . 0 0 "[ . 1 . 2]" 1
1435 1 50 CYS HA 1 51 ALA MB . . 4.450 3.801 3.694 3.840 . 0 0 "[ . 1 . 2]" 1
1436 1 20 LEU MD1 1 50 CYS HB2 . . 4.760 4.228 3.958 4.457 . 0 0 "[ . 1 . 2]" 1
1437 1 20 LEU MD1 1 50 CYS HB3 . . 4.760 4.479 4.230 4.733 . 0 0 "[ . 1 . 2]" 1
1438 1 20 LEU HG 1 50 CYS HB2 . . 5.010 4.659 4.395 4.936 . 0 0 "[ . 1 . 2]" 1
1439 1 20 LEU HG 1 50 CYS HB3 . . 5.010 4.591 4.331 4.912 . 0 0 "[ . 1 . 2]" 1
1440 1 20 LEU HB2 1 49 GLN QG . . 5.020 4.039 3.544 4.212 . 0 0 "[ . 1 . 2]" 1
1441 1 48 GLN HA 1 49 GLN QG . . 5.220 4.157 3.931 4.564 . 0 0 "[ . 1 . 2]" 1
1442 1 48 GLN HA 1 48 GLN HG3 . . 3.740 3.283 2.709 3.752 0.012 2 0 "[ . 1 . 2]" 1
1443 1 48 GLN HB2 1 49 GLN H . . 4.930 3.820 3.278 3.962 . 0 0 "[ . 1 . 2]" 1
1444 1 45 VAL MG1 1 48 GLN HG2 . . 3.900 3.382 2.422 3.901 0.001 11 0 "[ . 1 . 2]" 1
1445 1 45 VAL MG1 1 47 ARG HA . . 4.870 4.274 3.969 4.523 . 0 0 "[ . 1 . 2]" 1
1446 1 47 ARG QG 1 48 GLN HG3 . . 4.250 2.720 1.978 3.548 . 0 0 "[ . 1 . 2]" 1
1447 1 47 ARG QG 1 48 GLN HG2 . . 4.250 2.898 1.920 3.739 . 0 0 "[ . 1 . 2]" 1
1448 1 44 VAL MG1 1 46 GLN HA . . 3.840 3.595 3.527 3.740 . 0 0 "[ . 1 . 2]" 1
1449 1 45 VAL MG1 1 46 GLN HA . . 4.550 4.419 4.253 4.595 0.045 9 0 "[ . 1 . 2]" 1
1450 1 62 GLU HA 1 65 ALA H . . 4.030 3.577 3.436 3.739 . 0 0 "[ . 1 . 2]" 1
1451 1 62 GLU HA 1 83 TRP HH2 . . 3.550 2.521 2.183 2.695 . 0 0 "[ . 1 . 2]" 1
1452 1 62 GLU HA 1 65 ALA MB . . 3.350 2.427 2.208 2.599 . 0 0 "[ . 1 . 2]" 1
1453 1 62 GLU HA 1 83 TRP HE1 . . 5.290 4.905 4.602 5.141 . 0 0 "[ . 1 . 2]" 1
1454 1 46 GLN HA 1 50 CYS H . . 4.270 3.964 3.842 4.099 . 0 0 "[ . 1 . 2]" 1
1455 1 20 LEU MD1 1 46 GLN HA . . 4.700 4.232 3.744 4.681 . 0 0 "[ . 1 . 2]" 1
1456 1 45 VAL MG1 1 46 GLN QB . . 4.760 4.437 4.117 4.790 0.030 7 0 "[ . 1 . 2]" 1
1457 1 44 VAL MG1 1 46 GLN QB . . 4.000 3.795 3.652 3.933 . 0 0 "[ . 1 . 2]" 1
1458 1 44 VAL MG1 1 46 GLN QG . . 4.810 4.649 4.183 4.811 0.001 18 0 "[ . 1 . 2]" 1
1459 1 43 THR MG 1 45 VAL HA . . 4.790 4.135 3.982 4.412 . 0 0 "[ . 1 . 2]" 1
1460 1 45 VAL MG1 1 48 GLN HA . . 4.680 3.996 3.831 4.185 . 0 0 "[ . 1 . 2]" 1
1461 1 45 VAL MG1 1 47 ARG QD . . 4.890 3.103 2.099 4.693 . 0 0 "[ . 1 . 2]" 1
1462 1 45 VAL MG1 1 48 GLN HG3 . . 3.900 2.565 1.972 3.287 . 0 0 "[ . 1 . 2]" 1
1463 1 45 VAL MG1 1 48 GLN HB3 . . 3.770 3.555 3.341 3.768 . 0 0 "[ . 1 . 2]" 1
1464 1 45 VAL MG1 1 47 ARG QG . . 3.780 2.211 1.697 3.550 . 0 0 "[ . 1 . 2]" 1
1465 1 45 VAL MG2 1 50 CYS H . . 4.890 4.403 4.122 4.652 . 0 0 "[ . 1 . 2]" 1
1466 1 45 VAL MG2 1 52 PHE H . . 4.900 4.430 4.106 4.788 . 0 0 "[ . 1 . 2]" 1
1467 1 45 VAL MG2 1 46 GLN H . . 5.170 4.262 4.173 4.336 . 0 0 "[ . 1 . 2]" 1
1468 1 44 VAL HB 1 51 ALA MB . . 4.580 4.033 3.786 4.477 . 0 0 "[ . 1 . 2]" 1
1469 1 44 VAL MG1 1 51 ALA HA . . 4.140 3.663 3.522 3.809 . 0 0 "[ . 1 . 2]" 1
1470 1 26 GLU HA 1 44 VAL MG1 . . 4.590 3.646 3.178 3.955 . 0 0 "[ . 1 . 2]" 1
1471 1 44 VAL MG2 1 51 ALA HA . . 4.100 3.306 3.165 3.500 . 0 0 "[ . 1 . 2]" 1
1472 1 43 THR HA 1 44 VAL MG2 . . 4.000 3.905 3.453 4.001 0.001 20 0 "[ . 1 . 2]" 1
1473 1 41 THR HA 1 42 ILE HB . . 4.750 4.507 4.449 4.711 . 0 0 "[ . 1 . 2]" 1
1474 1 24 ILE HG13 1 79 LEU MD2 . . 4.060 3.921 3.741 4.082 0.022 3 0 "[ . 1 . 2]" 1
1475 1 24 ILE HG12 1 75 ASN HB3 . . 4.350 4.181 3.728 4.353 0.003 13 0 "[ . 1 . 2]" 1
1476 1 24 ILE HG12 1 79 LEU MD2 . . 4.310 4.019 3.800 4.233 . 0 0 "[ . 1 . 2]" 1
1477 1 24 ILE HG12 1 25 THR H . . 4.890 4.268 4.149 4.358 . 0 0 "[ . 1 . 2]" 1
1478 1 42 ILE MG 1 44 VAL H . . 4.630 3.494 3.301 4.396 . 0 0 "[ . 1 . 2]" 1
1479 1 42 ILE MG 1 43 THR HA . . 4.280 3.800 3.677 3.983 . 0 0 "[ . 1 . 2]" 1
1480 1 26 GLU HA 1 42 ILE MG . . 3.580 3.476 3.261 3.600 0.020 20 0 "[ . 1 . 2]" 1
1481 1 29 LEU HB3 1 42 ILE MG . . 4.580 4.139 3.847 4.410 . 0 0 "[ . 1 . 2]" 1
1482 1 42 ILE MG 1 53 ILE MD . . 3.580 2.193 1.869 3.152 . 0 0 "[ . 1 . 2]" 1
1483 1 42 ILE MD 1 54 GLN H . . 4.770 4.716 4.496 4.779 0.009 9 0 "[ . 1 . 2]" 1
1484 1 33 PHE H 1 42 ILE MD . . 5.480 4.861 4.605 5.032 . 0 0 "[ . 1 . 2]" 1
1485 1 42 ILE MD 1 43 THR H . . 5.500 5.342 5.271 5.401 . 0 0 "[ . 1 . 2]" 1
1486 1 42 ILE H 1 42 ILE MD . . 4.570 4.243 4.008 4.319 . 0 0 "[ . 1 . 2]" 1
1487 1 29 LEU H 1 42 ILE MD . . 5.460 5.008 4.795 5.248 . 0 0 "[ . 1 . 2]" 1
1488 1 33 PHE HB3 1 42 ILE MD . . 5.100 4.893 4.475 5.068 . 0 0 "[ . 1 . 2]" 1
1489 1 29 LEU HB3 1 42 ILE MD . . 4.570 4.138 3.822 4.490 . 0 0 "[ . 1 . 2]" 1
1490 1 41 THR HB 1 54 GLN H . . 5.500 5.503 5.477 5.516 0.016 9 0 "[ . 1 . 2]" 1
1491 1 39 ILE MG 1 41 THR HB . . 5.160 4.850 4.791 4.935 . 0 0 "[ . 1 . 2]" 1
1492 1 40 ARG HA 1 54 GLN HG2 . . 5.190 4.898 4.788 5.017 . 0 0 "[ . 1 . 2]" 1
1493 1 12 ILE MD 1 83 TRP HB2 . . 4.970 4.541 4.123 4.971 0.001 6 0 "[ . 1 . 2]" 1
1494 1 41 THR HA 1 54 GLN HB3 . . 4.860 4.457 4.370 4.550 . 0 0 "[ . 1 . 2]" 1
1495 1 40 ARG QD 1 41 THR MG . . 4.660 4.273 4.044 4.481 . 0 0 "[ . 1 . 2]" 1
1496 1 41 THR MG 1 43 THR H . . 4.840 3.712 3.524 3.917 . 0 0 "[ . 1 . 2]" 1
1497 1 41 THR MG 1 54 GLN H . . 4.670 3.292 3.120 3.542 . 0 0 "[ . 1 . 2]" 1
1498 1 40 ARG H 1 41 THR MG . . 5.070 4.867 4.748 4.941 . 0 0 "[ . 1 . 2]" 1
1499 1 39 ILE MG 1 40 ARG HA . . 4.440 4.249 4.091 4.334 . 0 0 "[ . 1 . 2]" 1
1500 1 40 ARG HB3 1 54 GLN HG3 . . 4.730 4.442 4.330 4.598 . 0 0 "[ . 1 . 2]" 1
1501 1 39 ILE HA 1 40 ARG HB3 . . 5.500 5.580 5.565 5.590 0.090 5 0 "[ . 1 . 2]" 1
1502 1 40 ARG HB2 1 41 THR MG . . 5.000 3.707 3.576 3.912 . 0 0 "[ . 1 . 2]" 1
1503 1 39 ILE HA 1 40 ARG HB2 . . 5.120 4.260 4.243 4.270 . 0 0 "[ . 1 . 2]" 1
1504 1 40 ARG HB2 1 56 ALA H . . 5.220 4.190 4.025 4.315 . 0 0 "[ . 1 . 2]" 1
1505 1 40 ARG HG2 1 55 PHE HA . . 5.120 4.767 4.555 5.025 . 0 0 "[ . 1 . 2]" 1
1506 1 40 ARG HG2 1 41 THR H . . 5.020 4.880 4.825 4.933 . 0 0 "[ . 1 . 2]" 1
1507 1 40 ARG HG2 1 56 ALA H . . 5.070 4.084 3.855 4.395 . 0 0 "[ . 1 . 2]" 1
1508 1 40 ARG HG3 1 54 GLN HG3 . . 5.400 4.964 4.595 5.253 . 0 0 "[ . 1 . 2]" 1
1509 1 40 ARG HG3 1 41 THR H . . 5.000 4.733 4.697 4.765 . 0 0 "[ . 1 . 2]" 1
1510 1 40 ARG QD 1 54 GLN HG2 . . 4.190 2.341 2.102 2.606 . 0 0 "[ . 1 . 2]" 1
1511 1 40 ARG QD 1 54 GLN HE21 . . 5.180 2.760 1.743 4.935 . 0 0 "[ . 1 . 2]" 1
1512 1 39 ILE HA 1 40 ARG HG3 . . 4.980 4.838 4.703 4.903 . 0 0 "[ . 1 . 2]" 1
1513 1 39 ILE HA 1 55 PHE QD . . 4.250 3.206 2.866 3.482 . 0 0 "[ . 1 . 2]" 1
1514 1 39 ILE HB 1 41 THR H . . 5.110 4.765 4.589 4.931 . 0 0 "[ . 1 . 2]" 1
1515 1 39 ILE HB 1 40 ARG H . . 4.810 4.341 4.231 4.411 . 0 0 "[ . 1 . 2]" 1
1516 1 39 ILE HG13 1 40 ARG H . . 5.150 4.961 4.892 5.036 . 0 0 "[ . 1 . 2]" 1
1517 1 38 GLU HA 1 39 ILE HG12 . . 5.500 5.196 4.947 5.426 . 0 0 "[ . 1 . 2]" 1
1518 1 39 ILE HG12 1 53 ILE HA . . 5.500 5.362 5.173 5.499 . 0 0 "[ . 1 . 2]" 1
1519 1 39 ILE HG12 1 55 PHE QD . . 4.480 3.670 3.424 3.964 . 0 0 "[ . 1 . 2]" 1
1520 1 39 ILE MG 1 42 ILE MD . . 2.950 2.022 1.949 2.182 . 0 0 "[ . 1 . 2]" 1
1521 1 39 ILE MG 1 54 GLN HB3 . . 4.900 3.760 3.582 3.849 . 0 0 "[ . 1 . 2]" 1
1522 1 39 ILE MG 1 53 ILE HA . . 4.290 3.375 3.193 3.547 . 0 0 "[ . 1 . 2]" 1
1523 1 39 ILE MG 1 55 PHE HA . . 4.010 3.791 3.640 3.889 . 0 0 "[ . 1 . 2]" 1
1524 1 39 ILE MG 1 55 PHE QD . . 4.500 4.315 4.059 4.475 . 0 0 "[ . 1 . 2]" 1
1525 1 39 ILE MD 1 53 ILE MG . . 3.450 2.829 2.670 3.047 . 0 0 "[ . 1 . 2]" 1
1526 1 38 GLU HA 1 39 ILE MD . . 5.260 4.757 4.600 4.923 . 0 0 "[ . 1 . 2]" 1
1527 1 39 ILE MD 1 53 ILE HA . . 5.500 5.075 4.892 5.231 . 0 0 "[ . 1 . 2]" 1
1528 1 34 TYR QD 1 39 ILE MD . . 4.060 3.617 3.550 3.658 . 0 0 "[ . 1 . 2]" 1
1529 1 39 ILE MD 1 55 PHE QE . . 4.390 3.695 3.429 3.988 . 0 0 "[ . 1 . 2]" 1
1530 1 39 ILE MD 1 55 PHE HZ . . 4.530 4.228 3.952 4.530 . 5 0 "[ . 1 . 2]" 1
1531 1 34 TYR QE 1 38 GLU HA . . 5.330 4.788 4.506 5.196 . 0 0 "[ . 1 . 2]" 1
1532 1 34 TYR QD 1 38 GLU HA . . 4.640 3.634 3.393 4.016 . 0 0 "[ . 1 . 2]" 1
1533 1 37 GLY HA2 1 38 GLU HB3 . . 5.490 5.265 5.119 5.402 . 0 0 "[ . 1 . 2]" 1
1534 1 38 GLU HB3 1 39 ILE HA . . 5.500 4.888 4.652 5.096 . 0 0 "[ . 1 . 2]" 1
1535 1 37 GLY HA3 1 38 GLU HB3 . . 4.950 4.747 4.599 4.846 . 0 0 "[ . 1 . 2]" 1
1536 1 37 GLY HA2 1 38 GLU HB2 . . 4.910 4.767 4.697 4.850 . 0 0 "[ . 1 . 2]" 1
1537 1 37 GLY HA3 1 38 GLU HB2 . . 5.090 4.862 4.703 5.027 . 0 0 "[ . 1 . 2]" 1
1538 1 37 GLY HA3 1 59 GLN HB3 . . 5.500 5.492 5.424 5.514 0.014 9 0 "[ . 1 . 2]" 1
1539 1 37 GLY HA2 1 38 GLU HA . . 4.820 4.342 4.290 4.393 . 0 0 "[ . 1 . 2]" 1
1540 1 36 PHE HA 1 60 ALA MB . . 4.720 4.215 4.016 4.470 . 0 0 "[ . 1 . 2]" 1
1541 1 36 PHE HA 1 36 PHE QE . . 4.930 4.489 4.396 4.671 . 0 0 "[ . 1 . 2]" 1
1542 1 36 PHE HB3 1 61 ALA HA . . 5.500 5.465 5.263 5.512 0.012 14 0 "[ . 1 . 2]" 1
1543 1 36 PHE HB2 1 60 ALA MB . . 4.510 3.062 2.749 3.276 . 0 0 "[ . 1 . 2]" 1
1544 1 36 PHE HB2 1 63 VAL HB . . 4.880 4.589 4.529 4.671 . 0 0 "[ . 1 . 2]" 1
1545 1 33 PHE HB2 1 36 PHE HB2 . . 5.500 5.518 5.501 5.546 0.046 9 0 "[ . 1 . 2]" 1
1546 1 36 PHE HB2 1 60 ALA HA . . 4.890 4.240 4.120 4.378 . 0 0 "[ . 1 . 2]" 1
1547 1 35 GLN HA 1 36 PHE HA . . 4.950 4.807 4.777 4.838 . 0 0 "[ . 1 . 2]" 1
1548 1 34 TYR QD 1 35 GLN HA . . 4.310 3.684 3.560 3.837 . 0 0 "[ . 1 . 2]" 1
1549 1 33 PHE HA 1 35 GLN HB3 . . 5.430 5.223 4.989 5.376 . 0 0 "[ . 1 . 2]" 1
1550 1 35 GLN HB2 1 36 PHE HA . . 5.210 4.648 4.456 4.762 . 0 0 "[ . 1 . 2]" 1
1551 1 68 SER HA 1 72 LEU HB2 . . 4.000 2.028 1.988 2.112 . 0 0 "[ . 1 . 2]" 1
1552 1 34 TYR HA 1 35 GLN HA . . 4.920 4.860 4.775 4.914 . 0 0 "[ . 1 . 2]" 1
1553 1 33 PHE HA 1 34 TYR HA . . 5.160 4.935 4.910 4.951 . 0 0 "[ . 1 . 2]" 1
1554 1 30 ARG QG 1 34 TYR HB2 . . 4.240 3.159 2.914 3.319 . 0 0 "[ . 1 . 2]" 1
1555 1 30 ARG QG 1 34 TYR HB3 . . 4.240 3.746 3.610 3.945 . 0 0 "[ . 1 . 2]" 1
1556 1 34 TYR HB2 1 35 GLN H . . 4.870 4.174 4.053 4.342 . 0 0 "[ . 1 . 2]" 1
1557 1 34 TYR HB3 1 35 GLN H . . 4.870 2.972 2.788 3.259 . 0 0 "[ . 1 . 2]" 1
1558 1 33 PHE HA 1 39 ILE MD . . 4.690 4.262 4.015 4.548 . 0 0 "[ . 1 . 2]" 1
1559 1 33 PHE HA 1 36 PHE HB2 . . 4.790 3.767 3.641 3.860 . 0 0 "[ . 1 . 2]" 1
1560 1 33 PHE HA 1 36 PHE QE . . 3.710 2.825 2.356 3.173 . 0 0 "[ . 1 . 2]" 1
1561 1 33 PHE HA 1 33 PHE QE . . 5.010 4.489 4.422 4.548 . 0 0 "[ . 1 . 2]" 1
1562 1 33 PHE HA 1 55 PHE QE . . 5.310 4.226 4.086 4.387 . 0 0 "[ . 1 . 2]" 1
1563 1 33 PHE HA 1 35 GLN H . . 5.010 3.845 3.468 4.129 . 0 0 "[ . 1 . 2]" 1
1564 1 33 PHE HB2 1 64 ALA MB . . 5.190 4.988 4.893 5.091 . 0 0 "[ . 1 . 2]" 1
1565 1 32 HIS H 1 33 PHE HB2 . . 4.920 4.836 4.731 4.946 0.026 20 0 "[ . 1 . 2]" 1
1566 1 33 PHE HB2 1 34 TYR H . . 4.860 2.683 2.591 2.768 . 0 0 "[ . 1 . 2]" 1
1567 1 33 PHE HB3 1 39 ILE HG12 . . 4.440 3.192 2.985 3.412 . 0 0 "[ . 1 . 2]" 1
1568 1 33 PHE HB3 1 36 PHE HB2 . . 4.700 4.056 4.002 4.124 . 0 0 "[ . 1 . 2]" 1
1569 1 33 PHE HB3 1 36 PHE QD . . 4.530 3.335 2.757 3.947 . 0 0 "[ . 1 . 2]" 1
1570 1 32 HIS HA 1 35 GLN HE21 . . 4.490 3.405 2.633 4.471 . 0 0 "[ . 1 . 2]" 1
1571 1 32 HIS HA 1 35 GLN HE22 . . 4.490 4.066 3.810 4.299 . 0 0 "[ . 1 . 2]" 1
1572 1 32 HIS HB2 1 74 VAL MG2 . . 4.860 3.263 2.882 3.561 . 0 0 "[ . 1 . 2]" 1
1573 1 32 HIS HB3 1 74 VAL MG1 . . 5.220 4.921 4.490 5.158 . 0 0 "[ . 1 . 2]" 1
1574 1 32 HIS HB2 1 74 VAL MG1 . . 4.670 3.944 3.457 4.298 . 0 0 "[ . 1 . 2]" 1
1575 1 32 HIS HB3 1 33 PHE QD . . 4.870 3.296 2.903 3.577 . 0 0 "[ . 1 . 2]" 1
1576 1 32 HIS HB2 1 33 PHE QD . . 4.990 4.815 4.539 5.017 0.027 18 0 "[ . 1 . 2]" 1
1577 1 32 HIS HE1 1 72 LEU MD1 . . 4.170 2.352 2.171 2.605 . 0 0 "[ . 1 . 2]" 1
1578 1 32 HIS HE1 1 72 LEU HB3 . . 5.500 5.351 5.086 5.510 0.010 18 0 "[ . 1 . 2]" 1
1579 1 32 HIS HE1 1 72 LEU HA . . 5.270 3.419 3.062 3.763 . 0 0 "[ . 1 . 2]" 1
1580 1 32 HIS HE1 1 68 SER HA . . 5.500 5.025 4.428 5.386 . 0 0 "[ . 1 . 2]" 1
1581 1 32 HIS HE1 1 35 GLN HE21 . . 4.500 4.181 3.809 4.520 0.020 18 0 "[ . 1 . 2]" 1
1582 1 32 HIS HE1 1 35 GLN HE22 . . 4.500 3.967 3.300 4.347 . 0 0 "[ . 1 . 2]" 1
1583 1 32 HIS HE1 1 73 ILE H . . 5.490 4.568 3.950 5.084 . 0 0 "[ . 1 . 2]" 1
1584 1 31 ASN HA 1 39 ILE MD . . 4.940 4.102 4.007 4.258 . 0 0 "[ . 1 . 2]" 1
1585 1 30 ARG QB 1 31 ASN HA . . 4.510 4.186 4.066 4.270 . 0 0 "[ . 1 . 2]" 1
1586 1 31 ASN HA 1 34 TYR QE . . 5.000 4.911 4.877 4.931 . 0 0 "[ . 1 . 2]" 1
1587 1 31 ASN HA 1 33 PHE H . . 4.860 4.131 4.078 4.221 . 0 0 "[ . 1 . 2]" 1
1588 1 30 ARG HA 1 39 ILE HG12 . . 5.500 4.696 4.430 4.900 . 0 0 "[ . 1 . 2]" 1
1589 1 30 ARG HA 1 53 ILE MD . . 5.500 4.027 3.356 5.255 . 0 0 "[ . 1 . 2]" 1
1590 1 30 ARG HA 1 39 ILE MG . . 4.950 3.662 3.532 3.808 . 0 0 "[ . 1 . 2]" 1
1591 1 30 ARG HA 1 39 ILE MD . . 3.280 2.314 2.172 2.437 . 0 0 "[ . 1 . 2]" 1
1592 1 30 ARG HA 1 31 ASN HA . . 5.220 4.702 4.688 4.719 . 0 0 "[ . 1 . 2]" 1
1593 1 29 LEU H 1 30 ARG HA . . 5.450 5.194 5.083 5.395 . 0 0 "[ . 1 . 2]" 1
1594 1 27 THR MG 1 30 ARG QB . . 4.900 3.354 3.139 3.645 . 0 0 "[ . 1 . 2]" 1
1595 1 29 LEU H 1 30 ARG QB . . 4.900 4.265 4.133 4.494 . 0 0 "[ . 1 . 2]" 1
1596 1 26 GLU QG 1 30 ARG QG . . 4.810 4.617 4.329 4.815 0.005 8 0 "[ . 1 . 2]" 1
1597 1 30 ARG HD2 1 42 ILE MD . . 4.800 3.380 2.272 4.236 . 0 0 "[ . 1 . 2]" 1
1598 1 29 LEU HA 1 53 ILE MD . . 4.970 4.440 4.238 4.642 . 0 0 "[ . 1 . 2]" 1
1599 1 29 LEU HA 1 74 VAL MG2 . . 4.800 3.761 3.238 4.036 . 0 0 "[ . 1 . 2]" 1
1600 1 29 LEU HA 1 32 HIS HA . . 5.160 4.963 4.858 5.070 . 0 0 "[ . 1 . 2]" 1
1601 1 29 LEU HA 1 33 PHE H . . 4.940 3.857 3.759 4.000 . 0 0 "[ . 1 . 2]" 1
1602 1 29 LEU HB2 1 32 HIS HB3 . . 5.380 5.130 4.820 5.301 . 0 0 "[ . 1 . 2]" 1
1603 1 29 LEU HB3 1 33 PHE QE . . 4.990 2.373 2.143 2.792 . 0 0 "[ . 1 . 2]" 1
1604 1 29 LEU HG 1 53 ILE MD . . 5.030 4.657 4.547 4.785 . 0 0 "[ . 1 . 2]" 1
1605 1 29 LEU HG 1 51 ALA MB . . 4.500 4.447 4.284 4.514 0.014 15 0 "[ . 1 . 2]" 1
1606 1 29 LEU MD1 1 53 ILE MD . . 4.190 2.671 2.482 2.866 . 0 0 "[ . 1 . 2]" 1
1607 1 24 ILE HG12 1 28 ASP HB3 . . 4.860 4.770 4.634 4.865 0.005 16 0 "[ . 1 . 2]" 1
1608 1 28 ASP HB3 1 29 LEU HG . . 4.750 3.704 3.578 3.914 . 0 0 "[ . 1 . 2]" 1
1609 1 25 THR MG 1 28 ASP HB2 . . 4.380 4.248 4.173 4.349 . 0 0 "[ . 1 . 2]" 1
1610 1 28 ASP HB2 1 29 LEU HG . . 4.350 3.339 3.167 3.438 . 0 0 "[ . 1 . 2]" 1
1611 1 28 ASP HB2 1 29 LEU HA . . 4.930 4.747 4.652 4.819 . 0 0 "[ . 1 . 2]" 1
1612 1 27 THR HA 1 28 ASP HA . . 5.170 4.900 4.867 4.923 . 0 0 "[ . 1 . 2]" 1
1613 1 27 THR HB 1 30 ARG QB . . 5.180 4.889 4.762 5.012 . 0 0 "[ . 1 . 2]" 1
1614 1 27 THR HB 1 28 ASP HA . . 5.020 4.172 4.123 4.361 . 0 0 "[ . 1 . 2]" 1
1615 1 27 THR MG 1 28 ASP HB3 . . 5.500 5.450 5.032 5.501 0.001 15 0 "[ . 1 . 2]" 1
1616 1 27 THR MG 1 30 ARG H . . 5.070 4.662 4.477 4.868 . 0 0 "[ . 1 . 2]" 1
1617 1 26 GLU HA 1 44 VAL MG2 . . 3.250 2.296 1.957 2.693 . 0 0 "[ . 1 . 2]" 1
1618 1 26 GLU HA 1 29 LEU HG . . 4.300 3.535 3.214 3.817 . 0 0 "[ . 1 . 2]" 1
1619 1 26 GLU HA 1 30 ARG H . . 4.300 4.080 3.903 4.226 . 0 0 "[ . 1 . 2]" 1
1620 1 25 THR HB 1 28 ASP H . . 5.000 4.248 4.080 4.499 . 0 0 "[ . 1 . 2]" 1
1621 1 25 THR MG 1 28 ASP HB3 . . 5.500 5.472 5.405 5.502 0.002 16 0 "[ . 1 . 2]" 1
1622 1 25 THR MG 1 28 ASP H . . 4.800 4.433 4.373 4.489 . 0 0 "[ . 1 . 2]" 1
1623 1 20 LEU MD2 1 24 ILE HA . . 5.190 5.037 4.685 5.213 0.023 16 0 "[ . 1 . 2]" 1
1624 1 24 ILE MG 1 29 LEU HB2 . . 4.960 4.836 4.671 4.960 0.000 2 0 "[ . 1 . 2]" 1
1625 1 24 ILE MG 1 28 ASP HB3 . . 3.490 2.927 2.753 3.087 . 0 0 "[ . 1 . 2]" 1
1626 1 24 ILE MG 1 28 ASP HB2 . . 3.240 2.655 2.424 2.775 . 0 0 "[ . 1 . 2]" 1
1627 1 24 ILE MG 1 29 LEU HA . . 4.900 4.669 4.465 4.810 . 0 0 "[ . 1 . 2]" 1
1628 1 24 ILE MG 1 28 ASP H . . 4.680 4.498 4.319 4.563 . 0 0 "[ . 1 . 2]" 1
1629 1 24 ILE MG 1 29 LEU H . . 4.090 3.827 3.501 4.043 . 0 0 "[ . 1 . 2]" 1
1630 1 24 ILE MD 1 79 LEU MD2 . . 2.880 1.756 1.668 1.811 . 0 0 "[ . 1 . 2]" 1
1631 1 24 ILE MD 1 28 ASP HB3 . . 5.260 5.119 4.826 5.268 0.008 13 0 "[ . 1 . 2]" 1
1632 1 24 ILE MD 1 75 ASN HD21 . . 5.000 3.584 3.510 3.644 . 0 0 "[ . 1 . 2]" 1
1633 1 24 ILE MD 1 25 THR H . . 4.890 4.868 4.747 4.919 0.029 18 0 "[ . 1 . 2]" 1
1634 1 24 ILE MD 1 74 VAL H . . 4.670 3.555 3.264 3.862 . 0 0 "[ . 1 . 2]" 1
1635 1 24 ILE MD 1 77 ARG H . . 4.340 4.271 4.170 4.348 0.008 15 0 "[ . 1 . 2]" 1
1636 1 24 ILE MD 1 75 ASN HD22 . . 5.000 4.945 4.844 5.003 0.003 10 0 "[ . 1 . 2]" 1
1637 1 23 THR HB 1 24 ILE MD . . 5.200 4.790 4.643 5.002 . 0 0 "[ . 1 . 2]" 1
1638 1 23 THR HB 1 24 ILE HG13 . . 4.880 3.500 3.362 3.734 . 0 0 "[ . 1 . 2]" 1
1639 1 22 ASP QB 1 23 THR MG . . 3.840 3.545 3.367 3.845 0.005 16 0 "[ . 1 . 2]" 1
1640 1 22 ASP HA 1 23 THR MG . . 5.230 5.118 4.953 5.239 0.009 10 0 "[ . 1 . 2]" 1
1641 1 21 GLY HA2 1 22 ASP QB . . 5.210 4.500 4.190 4.756 . 0 0 "[ . 1 . 2]" 1
1642 1 21 GLY HA3 1 22 ASP QB . . 5.500 4.681 4.470 5.184 . 0 0 "[ . 1 . 2]" 1
1643 1 22 ASP QB 1 23 THR HA . . 4.930 3.961 3.843 4.446 . 0 0 "[ . 1 . 2]" 1
1644 1 20 LEU HB3 1 49 GLN QG . . 5.500 5.332 4.925 5.508 0.008 14 0 "[ . 1 . 2]" 1
1645 1 20 LEU HB3 1 50 CYS HA . . 5.240 5.005 4.777 5.244 0.004 7 0 "[ . 1 . 2]" 1
1646 1 20 LEU HB2 1 50 CYS HA . . 5.130 3.967 3.689 4.292 . 0 0 "[ . 1 . 2]" 1
1647 1 20 LEU HB3 1 24 ILE H . . 4.950 4.378 4.272 4.522 . 0 0 "[ . 1 . 2]" 1
1648 1 20 LEU HB2 1 24 ILE H . . 5.500 5.472 5.378 5.513 0.013 9 0 "[ . 1 . 2]" 1
1649 1 20 LEU HG 1 49 GLN HB3 . . 4.870 4.270 3.869 4.518 . 0 0 "[ . 1 . 2]" 1
1650 1 20 LEU HG 1 49 GLN HA . . 4.920 4.283 3.830 4.664 . 0 0 "[ . 1 . 2]" 1
1651 1 20 LEU MD2 1 24 ILE HB . . 3.280 2.826 2.501 3.088 . 0 0 "[ . 1 . 2]" 1
1652 1 20 LEU MD2 1 29 LEU HB2 . . 5.320 4.799 4.580 4.988 . 0 0 "[ . 1 . 2]" 1
1653 1 20 LEU MD2 1 50 CYS HA . . 4.390 3.593 3.145 3.992 . 0 0 "[ . 1 . 2]" 1
1654 1 20 LEU MD2 1 51 ALA H . . 4.550 4.009 3.524 4.379 . 0 0 "[ . 1 . 2]" 1
1655 1 20 LEU MD1 1 44 VAL HB . . 5.100 4.372 4.185 4.553 . 0 0 "[ . 1 . 2]" 1
1656 1 20 LEU MD1 1 49 GLN HB3 . . 5.500 4.444 4.072 4.705 . 0 0 "[ . 1 . 2]" 1
1657 1 19 GLY HA3 1 20 LEU HG . . 5.500 5.273 5.054 5.489 . 0 0 "[ . 1 . 2]" 1
1658 1 19 GLY HA3 1 80 ASN HB2 . . 5.380 4.993 4.252 5.249 . 0 0 "[ . 1 . 2]" 1
1659 1 19 GLY HA3 1 20 LEU HA . . 4.820 4.604 4.568 4.647 . 0 0 "[ . 1 . 2]" 1
1660 1 19 GLY HA3 1 79 LEU HA . . 4.140 3.313 3.028 3.522 . 0 0 "[ . 1 . 2]" 1
1661 1 19 GLY HA2 1 49 GLN HB2 . . 4.960 4.242 4.044 4.466 . 0 0 "[ . 1 . 2]" 1
1662 1 18 GLY HA3 1 20 LEU MD2 . . 5.500 5.209 5.014 5.493 . 0 0 "[ . 1 . 2]" 1
1663 1 18 GLY HA3 1 79 LEU MD2 . . 5.500 5.298 5.006 5.502 0.002 19 0 "[ . 1 . 2]" 1
1664 1 18 GLY HA3 1 20 LEU H . . 4.900 4.732 4.575 4.904 0.004 11 0 "[ . 1 . 2]" 1
1665 1 18 GLY HA2 1 80 ASN HB3 . . 5.500 5.183 4.875 5.490 . 0 0 "[ . 1 . 2]" 1
1666 1 17 VAL MG1 1 18 GLY HA3 . . 5.250 4.188 3.964 4.550 . 0 0 "[ . 1 . 2]" 1
1667 1 18 GLY HA3 1 80 ASN HB3 . . 4.340 3.522 3.165 3.867 . 0 0 "[ . 1 . 2]" 1
1668 1 17 VAL HA 1 80 ASN HB3 . . 5.270 5.089 4.867 5.227 . 0 0 "[ . 1 . 2]" 1
1669 1 17 VAL HB 1 50 CYS HA . . 5.150 4.400 4.053 4.604 . 0 0 "[ . 1 . 2]" 1
1670 1 17 VAL MG2 1 53 ILE MD . . 3.320 2.885 1.942 3.309 . 0 0 "[ . 1 . 2]" 1
1671 1 17 VAL MG2 1 81 VAL HB . . 4.470 4.242 3.957 4.443 . 0 0 "[ . 1 . 2]" 1
1672 1 17 VAL MG2 1 33 PHE QE . . 3.480 2.764 2.556 3.077 . 0 0 "[ . 1 . 2]" 1
1673 1 17 VAL MG2 1 33 PHE QD . . 4.880 4.401 4.218 4.630 . 0 0 "[ . 1 . 2]" 1
1674 1 17 VAL MG2 1 51 ALA H . . 4.980 4.270 4.028 4.392 . 0 0 "[ . 1 . 2]" 1
1675 1 17 VAL MG2 1 53 ILE H . . 4.880 3.702 3.378 4.011 . 0 0 "[ . 1 . 2]" 1
1676 1 17 VAL MG1 1 53 ILE MD . . 4.360 4.152 3.717 4.359 . 0 0 "[ . 1 . 2]" 1
1677 1 17 VAL MG1 1 79 LEU MD1 . . 2.670 2.339 1.983 2.534 . 0 0 "[ . 1 . 2]" 1
1678 1 17 VAL MG1 1 72 LEU HG . . 4.790 4.099 3.792 4.393 . 0 0 "[ . 1 . 2]" 1
1679 1 17 VAL MG1 1 79 LEU HB3 . . 3.590 2.419 2.194 2.613 . 0 0 "[ . 1 . 2]" 1
1680 1 17 VAL MG1 1 79 LEU HB2 . . 3.260 3.119 2.863 3.259 . 0 0 "[ . 1 . 2]" 1
1681 1 17 VAL MG1 1 81 VAL HB . . 5.180 4.936 4.691 5.179 . 0 0 "[ . 1 . 2]" 1
1682 1 17 VAL MG1 1 33 PHE QE . . 4.010 3.580 3.260 4.007 . 0 0 "[ . 1 . 2]" 1
1683 1 15 LEU HA 1 16 TYR HA . . 4.970 4.375 4.365 4.390 . 0 0 "[ . 1 . 2]" 1
1684 1 14 THR MG 1 16 TYR HA . . 4.510 4.293 4.118 4.515 0.005 6 0 "[ . 1 . 2]" 1
1685 1 16 TYR HA 1 17 VAL MG2 . . 4.630 3.580 3.363 3.702 . 0 0 "[ . 1 . 2]" 1
1686 1 16 TYR HB2 1 82 LYS QD . . 5.150 4.697 4.179 5.104 . 0 0 "[ . 1 . 2]" 1
1687 1 16 TYR HB3 1 82 LYS QD . . 4.820 3.832 3.401 4.104 . 0 0 "[ . 1 . 2]" 1
1688 1 16 TYR HB2 1 52 PHE QE . . 4.500 2.266 2.029 2.755 . 0 0 "[ . 1 . 2]" 1
1689 1 16 TYR HB3 1 84 GLY HA3 . . 4.820 4.560 4.369 4.802 . 0 0 "[ . 1 . 2]" 1
1690 1 15 LEU HA 1 81 VAL MG1 . . 4.700 4.102 3.863 4.259 . 0 0 "[ . 1 . 2]" 1
1691 1 15 LEU HA 1 84 GLY HA3 . . 4.720 3.944 3.595 4.188 . 0 0 "[ . 1 . 2]" 1
1692 1 14 THR HB 1 15 LEU HA . . 4.670 4.576 4.490 4.671 0.001 19 0 "[ . 1 . 2]" 1
1693 1 15 LEU HA 1 52 PHE QE . . 5.500 5.429 5.194 5.510 0.010 7 0 "[ . 1 . 2]" 1
1694 1 15 LEU HB2 1 55 PHE QE . . 4.380 2.995 2.782 3.168 . 0 0 "[ . 1 . 2]" 1
1695 1 14 THR HA 1 15 LEU HB2 . . 5.090 4.298 4.254 4.382 . 0 0 "[ . 1 . 2]" 1
1696 1 15 LEU HB2 1 53 ILE H . . 5.050 3.737 3.378 4.128 . 0 0 "[ . 1 . 2]" 1
1697 1 15 LEU HG 1 83 TRP HZ3 . . 5.090 2.990 2.586 3.318 . 0 0 "[ . 1 . 2]" 1
1698 1 15 LEU HG 1 55 PHE QE . . 4.110 3.822 3.189 4.033 . 0 0 "[ . 1 . 2]" 1
1699 1 15 LEU MD1 1 61 ALA HA . . 4.140 2.671 2.396 2.875 . 0 0 "[ . 1 . 2]" 1
1700 1 15 LEU MD1 1 65 ALA HA . . 4.260 2.216 1.969 2.613 . 0 0 "[ . 1 . 2]" 1
1701 1 15 LEU MD1 1 55 PHE QD . . 4.060 3.602 3.320 3.855 . 0 0 "[ . 1 . 2]" 1
1702 1 15 LEU MD1 1 33 PHE QD . . 4.260 3.660 3.099 3.912 . 0 0 "[ . 1 . 2]" 1
1703 1 15 LEU MD2 1 81 VAL MG1 . . 3.600 2.571 2.342 2.820 . 0 0 "[ . 1 . 2]" 1
1704 1 15 LEU MD2 1 83 TRP HZ3 . . 4.180 3.309 3.010 3.608 . 0 0 "[ . 1 . 2]" 1
1705 1 15 LEU MD2 1 69 PHE HZ . . 4.580 4.116 3.761 4.438 . 0 0 "[ . 1 . 2]" 1
1706 1 15 LEU MD2 1 69 PHE QE . . 3.900 2.610 2.419 2.778 . 0 0 "[ . 1 . 2]" 1
1707 1 14 THR HA 1 15 LEU HG . . 4.450 4.142 3.913 4.251 . 0 0 "[ . 1 . 2]" 1
1708 1 14 THR HA 1 54 GLN HB2 . . 4.440 4.074 3.764 4.264 . 0 0 "[ . 1 . 2]" 1
1709 1 12 ILE HB 1 14 THR HB . . 5.500 5.440 5.195 5.510 0.010 15 0 "[ . 1 . 2]" 1
1710 1 14 THR HB 1 54 GLN HB2 . . 5.500 5.415 5.089 5.502 0.002 11 0 "[ . 1 . 2]" 1
1711 1 14 THR HB 1 84 GLY HA2 . . 5.230 4.839 4.458 5.187 . 0 0 "[ . 1 . 2]" 1
1712 1 14 THR MG 1 15 LEU HG . . 4.860 4.793 4.652 4.865 0.005 14 0 "[ . 1 . 2]" 1
1713 1 14 THR MG 1 54 GLN HB3 . . 4.650 4.442 4.165 4.632 . 0 0 "[ . 1 . 2]" 1
1714 1 14 THR MG 1 85 ARG H . . 4.660 3.651 3.193 4.216 . 0 0 "[ . 1 . 2]" 1
1715 1 13 THR HA 1 55 PHE HB2 . . 4.270 3.817 3.653 3.972 . 0 0 "[ . 1 . 2]" 1
1716 1 13 THR HB 1 55 PHE HB2 . . 3.630 2.548 2.254 2.804 . 0 0 "[ . 1 . 2]" 1
1717 1 13 THR HA 1 13 THR HB . . 2.950 2.420 2.395 2.458 . 0 0 "[ . 1 . 2]" 1
1718 1 13 THR HB 1 61 ALA H . . 5.170 4.656 4.306 4.992 . 0 0 "[ . 1 . 2]" 1
1719 1 13 THR MG 1 58 ARG HD3 . . 4.270 2.896 2.674 3.204 . 0 0 "[ . 1 . 2]" 1
1720 1 11 THR HA 1 13 THR MG . . 4.710 4.020 3.750 4.426 . 0 0 "[ . 1 . 2]" 1
1721 1 13 THR MG 1 83 TRP HZ3 . . 5.160 4.931 4.606 5.124 . 0 0 "[ . 1 . 2]" 1
1722 1 12 ILE HB 1 83 TRP HE3 . . 5.140 3.305 2.961 3.568 . 0 0 "[ . 1 . 2]" 1
1723 1 12 ILE MD 1 83 TRP HB3 . . 4.180 3.212 2.868 3.645 . 0 0 "[ . 1 . 2]" 1
1724 1 12 ILE MD 1 85 ARG HA . . 3.790 2.788 1.999 3.790 . 0 0 "[ . 1 . 2]" 1
1725 1 9 ASP HA 1 12 ILE MD . . 4.820 1.962 1.799 2.157 . 0 0 "[ . 1 . 2]" 1
1726 1 12 ILE MD 1 83 TRP HE3 . . 4.480 3.896 3.620 4.069 . 0 0 "[ . 1 . 2]" 1
1727 1 12 ILE MD 1 84 GLY H . . 4.820 4.300 3.743 4.679 . 0 0 "[ . 1 . 2]" 1
1728 1 12 ILE MD 1 83 TRP HA . . 5.320 5.013 4.711 5.326 0.006 14 0 "[ . 1 . 2]" 1
1729 1 11 THR HA 1 12 ILE HB . . 5.500 5.243 5.109 5.431 . 0 0 "[ . 1 . 2]" 1
1730 1 11 THR HB 1 13 THR MG . . 4.770 3.784 3.264 4.478 . 0 0 "[ . 1 . 2]" 1
1731 1 9 ASP HA 1 10 LYS HA . . 4.930 4.426 4.376 4.650 . 0 0 "[ . 1 . 2]" 1
1732 1 9 ASP HA 1 12 ILE HB . . 4.480 3.883 2.709 4.442 . 0 0 "[ . 1 . 2]" 1
1733 1 46 GLN QG 1 47 ARG HA . . 4.680 3.907 3.282 4.669 . 0 0 "[ . 1 . 2]" 1
1734 1 47 ARG HA 1 47 ARG QD . . 4.380 4.121 2.280 4.405 0.025 20 0 "[ . 1 . 2]" 1
1735 1 20 LEU HB3 1 21 GLY HA2 . . 5.500 4.923 4.797 5.076 . 0 0 "[ . 1 . 2]" 1
1736 1 20 LEU HB3 1 21 GLY HA3 . . 5.500 4.993 4.891 5.064 . 0 0 "[ . 1 . 2]" 1
1737 1 21 GLY HA3 1 24 ILE HG13 . . 5.500 4.852 4.498 5.119 . 0 0 "[ . 1 . 2]" 1
1738 1 16 TYR QE 1 50 CYS HA . . 4.930 4.796 4.435 4.940 0.010 9 0 "[ . 1 . 2]" 1
1739 1 17 VAL MG1 1 50 CYS HA . . 4.770 3.967 3.749 4.190 . 0 0 "[ . 1 . 2]" 1
1740 1 44 VAL MG1 1 50 CYS HA . . 5.410 4.682 4.508 4.906 . 0 0 "[ . 1 . 2]" 1
1741 1 17 VAL H 1 50 CYS HB3 . . 5.170 4.963 3.372 5.189 0.019 2 0 "[ . 1 . 2]" 1
1742 1 49 GLN HA 1 50 CYS HA . . 5.180 4.368 4.347 4.396 . 0 0 "[ . 1 . 2]" 1
1743 1 45 VAL HB 1 49 GLN HA . . 5.500 5.378 5.109 5.500 . 0 0 "[ . 1 . 2]" 1
1744 1 20 LEU HB3 1 49 GLN HA . . 4.680 4.426 4.264 4.628 . 0 0 "[ . 1 . 2]" 1
1745 1 20 LEU MD2 1 49 GLN HB3 . . 5.500 5.220 4.878 5.411 . 0 0 "[ . 1 . 2]" 1
1746 1 21 GLY HA2 1 49 GLN HB3 . . 5.010 3.787 3.281 4.359 . 0 0 "[ . 1 . 2]" 1
1747 1 21 GLY HA2 1 49 GLN HB2 . . 5.500 5.154 4.568 5.503 0.003 20 0 "[ . 1 . 2]" 1
1748 1 20 LEU HG 1 49 GLN HB2 . . 5.500 5.291 4.898 5.500 . 0 0 "[ . 1 . 2]" 1
1749 1 20 LEU MD1 1 49 GLN HB2 . . 5.500 5.266 4.889 5.511 0.011 9 0 "[ . 1 . 2]" 1
1750 1 20 LEU MD1 1 49 GLN QG . . 5.500 4.983 4.496 5.269 . 0 0 "[ . 1 . 2]" 1
1751 1 61 ALA HA 1 83 TRP HH2 . . 5.140 4.230 3.860 4.515 . 0 0 "[ . 1 . 2]" 1
1752 1 33 PHE QE 1 68 SER HG . . 5.070 3.100 2.008 4.772 . 0 0 "[ . 1 . 2]" 1
1753 1 33 PHE QE 1 68 SER HB2 . . 4.810 3.435 3.047 3.724 . 0 0 "[ . 1 . 2]" 1
1754 1 29 LEU HA 1 33 PHE QE . . 5.200 3.619 3.426 3.778 . 0 0 "[ . 1 . 2]" 1
1755 1 33 PHE QE 1 65 ALA HA . . 5.090 4.609 4.227 4.891 . 0 0 "[ . 1 . 2]" 1
1756 1 39 ILE HG12 1 55 PHE QE . . 4.150 2.889 2.454 3.252 . 0 0 "[ . 1 . 2]" 1
1757 1 39 ILE MG 1 55 PHE QE . . 5.140 4.258 3.911 4.459 . 0 0 "[ . 1 . 2]" 1
1758 1 55 PHE QE 1 60 ALA MB . . 4.800 3.010 2.849 3.171 . 0 0 "[ . 1 . 2]" 1
1759 1 33 PHE HB2 1 55 PHE QE . . 4.250 4.136 4.028 4.220 . 0 0 "[ . 1 . 2]" 1
1760 1 39 ILE HA 1 55 PHE QE . . 5.380 4.153 3.876 4.408 . 0 0 "[ . 1 . 2]" 1
1761 1 37 GLY HA3 1 55 PHE QE . . 5.010 4.456 4.284 4.625 . 0 0 "[ . 1 . 2]" 1
1762 1 33 PHE QD 1 55 PHE QE . . 4.260 3.444 3.285 3.664 . 0 0 "[ . 1 . 2]" 1
1763 1 33 PHE QE 1 53 ILE MD . . 3.670 2.822 2.055 3.273 . 0 0 "[ . 1 . 2]" 1
1764 1 17 VAL HB 1 53 ILE MD . . 3.930 3.749 3.242 3.933 0.003 5 0 "[ . 1 . 2]" 1
1765 1 51 ALA MB 1 53 ILE MD . . 3.420 2.582 2.331 2.816 . 0 0 "[ . 1 . 2]" 1
1766 1 29 LEU MD2 1 53 ILE MD . . 4.190 3.579 2.919 3.958 . 0 0 "[ . 1 . 2]" 1
1767 1 73 ILE MD 1 78 ARG HB2 . . 4.360 3.459 3.217 3.691 . 0 0 "[ . 1 . 2]" 1
1768 1 69 PHE QD 1 81 VAL MG1 . . 3.230 2.752 2.420 3.016 . 0 0 "[ . 1 . 2]" 1
1769 1 17 VAL MG2 1 81 VAL MG1 . . 3.340 2.482 1.941 2.772 . 0 0 "[ . 1 . 2]" 1
1770 1 68 SER HB2 1 81 VAL MG2 . . 4.210 2.889 1.916 3.610 . 0 0 "[ . 1 . 2]" 1
1771 1 72 LEU HB3 1 81 VAL MG2 . . 3.410 2.256 1.982 2.715 . 0 0 "[ . 1 . 2]" 1
1772 1 79 LEU HB2 1 81 VAL MG2 . . 3.910 3.086 2.881 3.230 . 0 0 "[ . 1 . 2]" 1
1773 1 17 VAL HB 1 81 VAL MG2 . . 4.360 4.078 3.805 4.300 . 0 0 "[ . 1 . 2]" 1
1774 1 72 LEU MD1 1 81 VAL MG2 . . 4.470 3.878 3.763 4.090 . 0 0 "[ . 1 . 2]" 1
1775 1 63 VAL HA 1 67 LYS QG . . 4.500 4.237 3.932 4.498 . 0 0 "[ . 1 . 2]" 1
1776 1 36 PHE HA 1 63 VAL MG1 . . 4.050 3.767 3.481 3.978 . 0 0 "[ . 1 . 2]" 1
1777 1 63 VAL MG1 1 67 LYS QG . . 3.380 2.962 2.812 3.214 . 0 0 "[ . 1 . 2]" 1
1778 1 63 VAL MG1 1 67 LYS QD . . 3.780 3.494 3.208 3.735 . 0 0 "[ . 1 . 2]" 1
1779 1 59 GLN HE21 1 63 VAL MG2 . . 5.240 3.607 3.062 4.820 . 0 0 "[ . 1 . 2]" 1
1780 1 61 ALA H 1 63 VAL MG2 . . 5.500 4.861 4.508 5.079 . 0 0 "[ . 1 . 2]" 1
1781 1 59 GLN HA 1 63 VAL MG2 . . 3.950 3.849 3.691 3.958 0.008 10 0 "[ . 1 . 2]" 1
1782 1 43 THR H 1 44 VAL MG2 . . 5.170 4.232 4.097 4.376 . 0 0 "[ . 1 . 2]" 1
1783 1 74 VAL HB 1 79 LEU MD1 . . 3.220 2.407 1.978 2.707 . 0 0 "[ . 1 . 2]" 1
1784 1 24 ILE MD 1 74 VAL HB . . 3.380 2.513 2.004 3.020 . 0 0 "[ . 1 . 2]" 1
1785 1 69 PHE QD 1 70 ASN H . . 5.490 4.345 4.075 4.464 . 0 0 "[ . 1 . 2]" 1
1786 1 69 PHE H 1 69 PHE QE . . 5.060 4.536 4.329 4.801 . 0 0 "[ . 1 . 2]" 1
1787 1 68 SER HA 1 69 PHE QD . . 5.230 4.953 4.741 5.076 . 0 0 "[ . 1 . 2]" 1
1788 1 53 ILE MG 1 55 PHE HZ . . 3.960 2.502 2.127 2.886 . 0 0 "[ . 1 . 2]" 1
1789 1 17 VAL MG2 1 33 PHE HZ . . 3.610 2.197 1.948 2.689 . 0 0 "[ . 1 . 2]" 1
1790 1 33 PHE QE 1 68 SER HB3 . . 4.810 3.215 2.297 3.928 . 0 0 "[ . 1 . 2]" 1
1791 1 72 LEU MD1 1 79 LEU MD1 . . 3.910 2.909 2.641 3.237 . 0 0 "[ . 1 . 2]" 1
1792 1 42 ILE HB 1 53 ILE HA . . 5.120 4.993 4.799 5.087 . 0 0 "[ . 1 . 2]" 1
1793 1 16 TYR HB3 1 82 LYS HG3 . . 4.040 2.438 2.168 2.775 . 0 0 "[ . 1 . 2]" 1
1794 1 15 LEU MD2 1 69 PHE QD . . 3.930 3.794 3.681 3.927 . 0 0 "[ . 1 . 2]" 1
1795 1 15 LEU MD2 1 83 TRP HZ2 . . 4.420 3.816 3.424 4.207 . 0 0 "[ . 1 . 2]" 1
1796 1 85 ARG HA 1 85 ARG QG . . 3.560 2.506 2.150 3.292 . 0 0 "[ . 1 . 2]" 1
1797 1 83 TRP HA 1 84 GLY HA3 . . 4.540 4.382 4.371 4.404 . 0 0 "[ . 1 . 2]" 1
1798 1 15 LEU MD2 1 83 TRP HA . . 4.240 2.197 2.004 2.353 . 0 0 "[ . 1 . 2]" 1
1799 1 15 LEU HB3 1 83 TRP HA . . 4.540 4.526 4.373 4.558 0.018 18 0 "[ . 1 . 2]" 1
1800 1 54 GLN HG2 1 55 PHE HA . . 4.480 4.261 4.033 4.484 0.004 4 0 "[ . 1 . 2]" 1
1801 1 66 GLU HA 1 68 SER H . . 5.020 3.630 3.519 4.045 . 0 0 "[ . 1 . 2]" 1
1802 1 69 PHE QE 1 83 TRP HA . . 4.910 4.148 3.625 4.517 . 0 0 "[ . 1 . 2]" 1
1803 1 55 PHE HB3 1 56 ALA HA . . 5.130 4.884 4.784 5.024 . 0 0 "[ . 1 . 2]" 1
1804 1 16 TYR HB3 1 82 LYS HA . . 5.070 4.828 4.611 4.934 . 0 0 "[ . 1 . 2]" 1
1805 1 80 ASN HA 1 81 VAL HA . . 5.210 4.418 4.397 4.436 . 0 0 "[ . 1 . 2]" 1
1806 1 80 ASN HA 1 81 VAL HB . . 5.060 4.661 4.537 4.782 . 0 0 "[ . 1 . 2]" 1
1807 1 17 VAL HA 1 81 VAL HB . . 4.990 4.832 4.696 4.977 . 0 0 "[ . 1 . 2]" 1
1808 1 18 GLY HA3 1 80 ASN HB2 . . 5.000 4.467 2.875 4.930 . 0 0 "[ . 1 . 2]" 1
1809 1 80 ASN HB2 1 81 VAL H . . 4.640 4.585 4.494 4.620 . 0 0 "[ . 1 . 2]" 1
1810 1 79 LEU HA 1 80 ASN HA . . 4.770 4.360 4.355 4.364 . 0 0 "[ . 1 . 2]" 1
1811 1 79 LEU HB3 1 81 VAL MG2 . . 3.940 3.446 3.276 3.591 . 0 0 "[ . 1 . 2]" 1
1812 1 72 LEU HG 1 79 LEU MD1 . . 3.610 2.121 1.969 2.702 . 0 0 "[ . 1 . 2]" 1
1813 1 79 LEU HB2 1 79 LEU MD1 . . 2.990 2.325 2.191 2.397 . 0 0 "[ . 1 . 2]" 1
1814 1 20 LEU HA 1 79 LEU MD1 . . 4.620 3.688 3.285 4.106 . 0 0 "[ . 1 . 2]" 1
1815 1 77 ARG HB3 1 79 LEU MD2 . . 3.350 3.047 2.778 3.358 0.008 3 0 "[ . 1 . 2]" 1
1816 1 73 ILE HA 1 78 ARG HG2 . . 4.820 4.582 4.219 4.826 0.006 18 0 "[ . 1 . 2]" 1
1817 1 73 ILE MD 1 78 ARG HG3 . . 4.210 2.449 2.140 2.804 . 0 0 "[ . 1 . 2]" 1
1818 1 73 ILE HA 1 78 ARG HG3 . . 4.820 4.525 4.295 4.756 . 0 0 "[ . 1 . 2]" 1
1819 1 73 ILE MD 1 78 ARG QD . . 4.040 3.926 3.552 4.048 0.008 3 0 "[ . 1 . 2]" 1
1820 1 24 ILE HG13 1 77 ARG HB3 . . 3.840 3.781 3.532 3.847 0.007 7 0 "[ . 1 . 2]" 1
1821 1 74 VAL H 1 77 ARG HB3 . . 4.690 4.466 4.165 4.651 . 0 0 "[ . 1 . 2]" 1
1822 1 77 ARG HD2 1 79 LEU MD2 . . 4.240 3.670 3.145 4.033 . 0 0 "[ . 1 . 2]" 1
1823 1 77 ARG HD3 1 79 LEU MD2 . . 4.240 2.511 2.071 3.564 . 0 0 "[ . 1 . 2]" 1
1824 1 24 ILE HG12 1 77 ARG HD3 . . 4.830 4.543 4.191 4.845 0.015 3 0 "[ . 1 . 2]" 1
1825 1 75 ASN HA 1 76 GLY HA3 . . 5.080 4.337 4.326 4.354 . 0 0 "[ . 1 . 2]" 1
1826 1 24 ILE HG13 1 75 ASN HB3 . . 4.970 4.475 4.162 4.984 0.014 3 0 "[ . 1 . 2]" 1
1827 1 24 ILE MD 1 75 ASN HB3 . . 4.940 4.706 4.348 4.916 . 0 0 "[ . 1 . 2]" 1
1828 1 24 ILE HG12 1 75 ASN HB2 . . 4.320 2.695 2.353 2.927 . 0 0 "[ . 1 . 2]" 1
1829 1 24 ILE HG13 1 75 ASN HB2 . . 4.540 3.400 3.019 3.993 . 0 0 "[ . 1 . 2]" 1
1830 1 73 ILE HA 1 74 VAL HA . . 4.490 4.440 4.419 4.466 . 0 0 "[ . 1 . 2]" 1
1831 1 74 VAL MG2 1 75 ASN H . . 5.010 3.954 3.873 4.044 . 0 0 "[ . 1 . 2]" 1
1832 1 32 HIS HB3 1 74 VAL MG2 . . 4.400 3.703 3.286 3.948 . 0 0 "[ . 1 . 2]" 1
1833 1 73 ILE HA 1 74 VAL MG2 . . 3.890 3.836 3.741 3.892 0.002 7 0 "[ . 1 . 2]" 1
1834 1 73 ILE HG12 1 78 ARG QD . . 4.910 4.261 4.049 4.385 . 0 0 "[ . 1 . 2]" 1
1835 1 72 LEU HA 1 73 ILE HG12 . . 5.340 5.159 4.986 5.275 . 0 0 "[ . 1 . 2]" 1
1836 1 72 LEU H 1 73 ILE HG12 . . 5.320 5.197 5.045 5.319 . 0 0 "[ . 1 . 2]" 1
1837 1 73 ILE HG13 1 78 ARG HB2 . . 5.380 5.205 4.972 5.374 . 0 0 "[ . 1 . 2]" 1
1838 1 73 ILE HG13 1 78 ARG QD . . 5.440 5.308 5.018 5.442 0.002 12 0 "[ . 1 . 2]" 1
1839 1 72 LEU H 1 73 ILE HG13 . . 4.730 4.339 4.224 4.453 . 0 0 "[ . 1 . 2]" 1
1840 1 73 ILE MG 1 75 ASN H . . 5.130 4.758 4.487 4.896 . 0 0 "[ . 1 . 2]" 1
1841 1 72 LEU HB3 1 73 ILE H . . 4.560 4.538 4.526 4.544 . 0 0 "[ . 1 . 2]" 1
1842 1 72 LEU HB3 1 79 LEU HB2 . . 3.630 3.309 3.136 3.447 . 0 0 "[ . 1 . 2]" 1
1843 1 68 SER HA 1 72 LEU MD2 . . 4.620 3.583 3.444 3.738 . 0 0 "[ . 1 . 2]" 1
1844 1 72 LEU MD2 1 79 LEU MD2 . . 4.050 4.050 4.005 4.071 0.021 6 0 "[ . 1 . 2]" 1
1845 1 72 LEU MD2 1 74 VAL MG2 . . 3.990 3.264 3.023 3.560 . 0 0 "[ . 1 . 2]" 1
1846 1 33 PHE HZ 1 72 LEU MD1 . . 4.260 3.520 3.237 3.861 . 0 0 "[ . 1 . 2]" 1
1847 1 71 LYS HA 1 71 LYS QE . . 5.500 4.675 3.972 5.017 . 0 0 "[ . 1 . 2]" 1
1848 1 67 LYS HA 1 71 LYS QE . . 4.210 2.801 1.986 3.505 . 0 0 "[ . 1 . 2]" 1
1849 1 31 ASN HA 1 34 TYR HB3 . . 4.570 2.003 1.976 2.039 . 0 0 "[ . 1 . 2]" 1
1850 1 70 ASN HB3 1 71 LYS H . . 5.190 4.376 4.021 4.666 . 0 0 "[ . 1 . 2]" 1
1851 1 70 ASN HB3 1 78 ARG QD . . 5.140 4.228 3.506 5.127 . 0 0 "[ . 1 . 2]" 1
1852 1 70 ASN HB2 1 78 ARG QD . . 5.140 4.749 3.561 5.147 0.007 9 0 "[ . 1 . 2]" 1
1853 1 36 PHE HZ 1 67 LYS HB3 . . 4.180 2.284 1.998 3.007 . 0 0 "[ . 1 . 2]" 1
1854 1 36 PHE QE 1 67 LYS HB3 . . 4.280 3.292 2.943 3.604 . 0 0 "[ . 1 . 2]" 1
1855 1 67 LYS QG 1 68 SER H . . 5.260 4.543 4.486 4.589 . 0 0 "[ . 1 . 2]" 1
1856 1 63 VAL MG1 1 67 LYS HE2 . . 3.980 3.391 1.946 3.990 0.010 15 0 "[ . 1 . 2]" 1
1857 1 63 VAL MG1 1 67 LYS HE3 . . 3.980 2.830 1.923 3.922 . 0 0 "[ . 1 . 2]" 1
1858 1 63 VAL HA 1 64 ALA HA . . 5.230 4.795 4.775 4.828 . 0 0 "[ . 1 . 2]" 1
1859 1 36 PHE HB2 1 64 ALA HA . . 5.220 4.915 4.599 5.052 . 0 0 "[ . 1 . 2]" 1
1860 1 64 ALA HA 1 67 LYS HB2 . . 3.950 2.389 2.197 2.556 . 0 0 "[ . 1 . 2]" 1
1861 1 63 VAL MG1 1 64 ALA HA . . 3.910 3.403 3.223 3.568 . 0 0 "[ . 1 . 2]" 1
1862 1 33 PHE HA 1 64 ALA MB . . 4.570 3.556 3.365 3.688 . 0 0 "[ . 1 . 2]" 1
1863 1 62 GLU HA 1 63 VAL HA . . 5.050 4.861 4.814 4.894 . 0 0 "[ . 1 . 2]" 1
1864 1 36 PHE QE 1 63 VAL HB . . 5.500 4.217 3.749 5.060 . 0 0 "[ . 1 . 2]" 1
1865 1 61 ALA H 1 63 VAL HB . . 5.500 5.366 5.220 5.507 0.007 18 0 "[ . 1 . 2]" 1
1866 1 62 GLU HB2 1 63 VAL HB . . 5.350 5.167 5.022 5.347 . 0 0 "[ . 1 . 2]" 1
1867 1 61 ALA HA 1 62 GLU HA . . 5.380 4.833 4.782 4.862 . 0 0 "[ . 1 . 2]" 1
1868 1 62 GLU HA 1 65 ALA HA . . 5.500 5.164 4.981 5.324 . 0 0 "[ . 1 . 2]" 1
1869 1 61 ALA MB 1 62 GLU HA . . 4.520 3.664 3.570 3.740 . 0 0 "[ . 1 . 2]" 1
1870 1 62 GLU HB3 1 63 VAL HA . . 4.190 3.931 3.870 4.036 . 0 0 "[ . 1 . 2]" 1
1871 1 58 ARG HG3 1 62 GLU HB2 . . 5.000 3.350 2.975 3.641 . 0 0 "[ . 1 . 2]" 1
1872 1 58 ARG HG3 1 62 GLU HG2 . . 4.930 3.776 2.227 4.052 . 0 0 "[ . 1 . 2]" 1
1873 1 55 PHE HB2 1 61 ALA HA . . 3.890 3.748 3.620 3.898 0.008 12 0 "[ . 1 . 2]" 1
1874 1 15 LEU HG 1 61 ALA HA . . 5.120 4.007 3.689 4.243 . 0 0 "[ . 1 . 2]" 1
1875 1 15 LEU HG 1 65 ALA HA . . 5.500 4.424 4.239 4.618 . 0 0 "[ . 1 . 2]" 1
1876 1 58 ARG HG2 1 59 GLN HA . . 5.120 5.032 4.607 5.128 0.008 12 0 "[ . 1 . 2]" 1
1877 1 13 THR HA 1 58 ARG HB2 . . 4.720 4.097 3.904 4.159 . 0 0 "[ . 1 . 2]" 1
1878 1 13 THR HA 1 58 ARG HB3 . . 5.500 5.469 5.296 5.515 0.015 16 0 "[ . 1 . 2]" 1
1879 1 13 THR MG 1 58 ARG HG3 . . 5.270 4.326 4.191 4.557 . 0 0 "[ . 1 . 2]" 1
1880 1 58 ARG HD2 1 83 TRP HH2 . . 4.770 3.000 2.396 3.337 . 0 0 "[ . 1 . 2]" 1
1881 1 13 THR HA 1 58 ARG HD3 . . 4.420 3.331 2.550 3.919 . 0 0 "[ . 1 . 2]" 1
1882 1 56 ALA HA 1 57 THR HA . . 4.620 4.536 4.528 4.547 . 0 0 "[ . 1 . 2]" 1
1883 1 56 ALA MB 1 57 THR HA . . 4.430 4.068 4.000 4.146 . 0 0 "[ . 1 . 2]" 1
1884 1 55 PHE HA 1 56 ALA HA . . 4.440 4.321 4.313 4.327 . 0 0 "[ . 1 . 2]" 1
1885 1 54 GLN HA 1 55 PHE HB2 . . 4.720 4.490 4.435 4.520 . 0 0 "[ . 1 . 2]" 1
1886 1 39 ILE HA 1 55 PHE HB2 . . 5.500 5.056 4.889 5.231 . 0 0 "[ . 1 . 2]" 1
1887 1 15 LEU H 1 54 GLN HA . . 4.340 3.601 3.478 3.688 . 0 0 "[ . 1 . 2]" 1
1888 1 53 ILE HA 1 54 GLN HA . . 4.860 4.393 4.389 4.401 . 0 0 "[ . 1 . 2]" 1
1889 1 14 THR HA 1 54 GLN HB3 . . 5.410 5.051 4.854 5.205 . 0 0 "[ . 1 . 2]" 1
1890 1 40 ARG H 1 54 GLN HB2 . . 5.330 5.092 4.812 5.252 . 0 0 "[ . 1 . 2]" 1
1891 1 40 ARG QD 1 54 GLN HG3 . . 5.060 3.686 3.367 3.979 . 0 0 "[ . 1 . 2]" 1
1892 1 15 LEU H 1 53 ILE HA . . 5.270 4.631 4.497 4.723 . 0 0 "[ . 1 . 2]" 1
1893 1 14 THR HA 1 53 ILE HB . . 5.170 4.809 4.670 5.063 . 0 0 "[ . 1 . 2]" 1
1894 1 15 LEU MD1 1 53 ILE HB . . 4.370 3.734 3.330 4.150 . 0 0 "[ . 1 . 2]" 1
1895 1 51 ALA MB 1 52 PHE HA . . 4.620 4.152 3.970 4.240 . 0 0 "[ . 1 . 2]" 1
1896 1 16 TYR HA 1 52 PHE QB . . 4.770 4.284 4.212 4.392 . 0 0 "[ . 1 . 2]" 1
1897 1 50 CYS HA 1 51 ALA HA . . 5.250 4.543 4.503 4.585 . 0 0 "[ . 1 . 2]" 1
1898 1 45 VAL HB 1 51 ALA HA . . 5.030 4.848 4.580 5.026 . 0 0 "[ . 1 . 2]" 1
1899 1 44 VAL HB 1 51 ALA HA . . 5.160 5.008 4.931 5.169 0.009 16 0 "[ . 1 . 2]" 1
1900 1 20 LEU MD1 1 51 ALA HA . . 4.210 3.370 3.187 3.566 . 0 0 "[ . 1 . 2]" 1
1901 1 26 GLU HA 1 51 ALA MB . . 4.980 4.076 3.961 4.193 . 0 0 "[ . 1 . 2]" 1
1902 1 47 ARG HA 1 48 GLN HA . . 5.010 4.540 4.490 4.572 . 0 0 "[ . 1 . 2]" 1
1903 1 46 GLN HA 1 47 ARG HA . . 5.100 4.834 4.788 4.879 . 0 0 "[ . 1 . 2]" 1
1904 1 43 THR HA 1 44 VAL HA . . 4.680 4.434 4.392 4.442 . 0 0 "[ . 1 . 2]" 1
1905 1 41 THR H 1 42 ILE HA . . 5.070 4.694 4.630 4.721 . 0 0 "[ . 1 . 2]" 1
1906 1 41 THR HA 1 42 ILE HA . . 4.530 4.490 4.426 4.516 . 0 0 "[ . 1 . 2]" 1
1907 1 39 ILE MG 1 42 ILE HB . . 4.180 4.040 3.887 4.159 . 0 0 "[ . 1 . 2]" 1
1908 1 42 ILE MG 1 51 ALA MB . . 3.320 2.643 2.507 2.928 . 0 0 "[ . 1 . 2]" 1
1909 1 26 GLU QG 1 42 ILE MD . . 3.390 2.930 2.699 3.191 . 0 0 "[ . 1 . 2]" 1
1910 1 30 ARG QG 1 42 ILE MD . . 3.140 2.109 1.873 2.468 . 0 0 "[ . 1 . 2]" 1
1911 1 40 ARG HA 1 41 THR HB . . 5.170 4.602 4.492 4.662 . 0 0 "[ . 1 . 2]" 1
1912 1 41 THR MG 1 54 GLN HG3 . . 4.480 4.125 3.963 4.302 . 0 0 "[ . 1 . 2]" 1
1913 1 41 THR MG 1 54 GLN HG2 . . 4.800 3.775 3.491 4.070 . 0 0 "[ . 1 . 2]" 1
1914 1 39 ILE MG 1 40 ARG HB3 . . 5.390 4.818 4.702 4.866 . 0 0 "[ . 1 . 2]" 1
1915 1 39 ILE MG 1 40 ARG HB2 . . 5.430 4.078 3.956 4.181 . 0 0 "[ . 1 . 2]" 1
1916 1 40 ARG HG3 1 55 PHE HA . . 4.580 3.387 3.244 3.606 . 0 0 "[ . 1 . 2]" 1
1917 1 40 ARG HG3 1 54 GLN HB3 . . 4.860 4.487 4.302 4.718 . 0 0 "[ . 1 . 2]" 1
1918 1 33 PHE HB2 1 39 ILE HG13 . . 5.290 4.504 4.265 4.826 . 0 0 "[ . 1 . 2]" 1
1919 1 36 PHE HA 1 37 GLY HA3 . . 5.020 4.806 4.759 4.840 . 0 0 "[ . 1 . 2]" 1
1920 1 36 PHE HB3 1 37 GLY HA3 . . 5.430 4.315 4.247 4.480 . 0 0 "[ . 1 . 2]" 1
1921 1 34 TYR HA 1 37 GLY HA2 . . 5.500 5.170 4.993 5.374 . 0 0 "[ . 1 . 2]" 1
1922 1 36 PHE HA 1 37 GLY HA2 . . 5.290 4.694 4.670 4.739 . 0 0 "[ . 1 . 2]" 1
1923 1 34 TYR QE 1 35 GLN HA . . 5.200 4.084 3.907 4.286 . 0 0 "[ . 1 . 2]" 1
1924 1 29 LEU HA 1 30 ARG HA . . 5.220 4.894 4.863 4.931 . 0 0 "[ . 1 . 2]" 1
1925 1 27 THR HA 1 30 ARG HA . . 5.370 5.037 4.934 5.257 . 0 0 "[ . 1 . 2]" 1
1926 1 30 ARG HD3 1 42 ILE MD . . 4.800 3.839 2.717 4.401 . 0 0 "[ . 1 . 2]" 1
1927 1 29 LEU HB2 1 33 PHE QE . . 5.400 4.096 3.842 4.533 . 0 0 "[ . 1 . 2]" 1
1928 1 29 LEU MD1 1 51 ALA MB . . 3.980 2.066 1.949 2.141 . 0 0 "[ . 1 . 2]" 1
1929 1 28 ASP HB3 1 74 VAL MG2 . . 5.190 3.859 3.415 4.204 . 0 0 "[ . 1 . 2]" 1
1930 1 25 THR HG1 1 26 GLU HA . . 4.670 4.382 4.233 4.506 . 0 0 "[ . 1 . 2]" 1
1931 1 26 GLU HA 1 30 ARG QB . . 4.890 4.728 4.635 4.833 . 0 0 "[ . 1 . 2]" 1
1932 1 25 THR MG 1 27 THR H . . 4.990 4.768 4.648 4.856 . 0 0 "[ . 1 . 2]" 1
1933 1 24 ILE HA 1 25 THR MG . . 3.850 3.412 3.269 3.546 . 0 0 "[ . 1 . 2]" 1
1934 1 20 LEU HA 1 24 ILE HA . . 5.500 5.469 5.374 5.507 0.007 3 0 "[ . 1 . 2]" 1
1935 1 19 GLY HA2 1 20 LEU HA . . 4.790 4.633 4.563 4.721 . 0 0 "[ . 1 . 2]" 1
1936 1 35 GLN HA 1 37 GLY HA2 . . 5.500 5.485 5.408 5.519 0.019 19 0 "[ . 1 . 2]" 1
1937 1 18 GLY HA2 1 20 LEU MD1 . . 4.690 4.313 4.046 4.662 . 0 0 "[ . 1 . 2]" 1
1938 1 19 GLY HA2 1 80 ASN H . . 5.410 5.227 4.800 5.404 . 0 0 "[ . 1 . 2]" 1
1939 1 17 VAL MG1 1 18 GLY HA2 . . 4.940 3.611 3.401 3.938 . 0 0 "[ . 1 . 2]" 1
1940 1 16 TYR HA 1 52 PHE QE . . 5.200 3.753 3.483 4.079 . 0 0 "[ . 1 . 2]" 1
1941 1 16 TYR HB2 1 52 PHE QD . . 5.090 3.300 3.128 3.562 . 0 0 "[ . 1 . 2]" 1
1942 1 16 TYR HB3 1 81 VAL HA . . 5.300 4.707 4.390 4.934 . 0 0 "[ . 1 . 2]" 1
1943 1 15 LEU HA 1 16 TYR HB3 . . 4.720 4.289 4.253 4.320 . 0 0 "[ . 1 . 2]" 1
1944 1 15 LEU HA 1 53 ILE H . . 5.460 4.891 4.769 5.019 . 0 0 "[ . 1 . 2]" 1
1945 1 14 THR HA 1 15 LEU HA . . 4.960 4.422 4.407 4.449 . 0 0 "[ . 1 . 2]" 1
1946 1 15 LEU HA 1 84 GLY HA2 . . 5.500 4.603 4.110 4.899 . 0 0 "[ . 1 . 2]" 1
1947 1 15 LEU HG 1 83 TRP HE3 . . 4.140 3.581 3.122 3.977 . 0 0 "[ . 1 . 2]" 1
1948 1 15 LEU MD2 1 65 ALA MB . . 3.340 2.000 1.847 2.220 . 0 0 "[ . 1 . 2]" 1
1949 1 13 THR H 1 14 THR HA . . 5.500 4.998 4.743 5.114 . 0 0 "[ . 1 . 2]" 1
1950 1 14 THR MG 1 15 LEU HA . . 4.240 3.707 3.523 3.794 . 0 0 "[ . 1 . 2]" 1
1951 1 13 THR HA 1 58 ARG HD2 . . 4.420 2.939 2.470 3.966 . 0 0 "[ . 1 . 2]" 1
1952 1 13 THR HB 1 54 GLN HG3 . . 5.220 4.397 3.914 4.853 . 0 0 "[ . 1 . 2]" 1
1953 1 13 THR HB 1 54 GLN HG2 . . 5.390 4.530 3.917 5.060 . 0 0 "[ . 1 . 2]" 1
1954 1 13 THR HB 1 58 ARG HB2 . . 5.500 4.592 4.280 4.899 . 0 0 "[ . 1 . 2]" 1
1955 1 12 ILE HB 1 13 THR HA . . 5.020 4.896 4.818 4.978 . 0 0 "[ . 1 . 2]" 1
1956 1 15 LEU HA 1 15 LEU HG . . 4.040 2.763 2.699 2.877 . 0 0 "[ . 1 . 2]" 1
1957 1 11 THR HA 1 58 ARG HG2 . . 5.120 3.754 3.216 4.077 . 0 0 "[ . 1 . 2]" 1
1958 1 9 ASP HA 1 12 ILE MG . . 4.940 4.537 3.867 4.938 . 0 0 "[ . 1 . 2]" 1
1959 1 8 GLU HA 1 9 ASP HA . . 5.140 4.466 4.312 4.829 . 0 0 "[ . 1 . 2]" 1
1960 1 6 SER HA 1 7 GLY QA . . 5.380 3.977 3.898 4.417 . 0 0 "[ . 1 . 2]" 1
1961 1 7 GLY QA 1 8 GLU HA . . 4.430 3.987 3.929 4.189 . 0 0 "[ . 1 . 2]" 1
1962 1 8 GLU H 1 8 GLU QB . . 3.550 2.577 2.151 3.264 . 0 0 "[ . 1 . 2]" 1
1963 1 8 GLU QB 1 9 ASP HA . . 5.340 4.390 3.848 4.802 . 0 0 "[ . 1 . 2]" 1
1964 1 9 ASP HA 1 10 LYS QB . . 5.340 4.494 4.178 4.984 . 0 0 "[ . 1 . 2]" 1
1965 1 9 ASP HA 1 10 LYS QG . . 5.110 4.154 3.621 5.104 . 0 0 "[ . 1 . 2]" 1
1966 1 9 ASP HA 1 12 ILE QG . . 4.840 2.675 2.002 3.390 . 0 0 "[ . 1 . 2]" 1
1967 1 9 ASP QB 1 10 LYS H . . 4.290 3.595 3.327 4.046 . 0 0 "[ . 1 . 2]" 1
1968 1 9 ASP QB 1 12 ILE HB . . 5.020 3.113 1.999 4.793 . 0 0 "[ . 1 . 2]" 1
1969 1 9 ASP QB 1 12 ILE MG . . 4.830 4.062 3.380 4.848 0.018 9 0 "[ . 1 . 2]" 1
1970 1 9 ASP QB 1 12 ILE QG . . 3.850 3.267 2.572 3.762 . 0 0 "[ . 1 . 2]" 1
1971 1 9 ASP QB 1 12 ILE MD . . 3.450 2.397 1.954 3.419 . 0 0 "[ . 1 . 2]" 1
1972 1 10 LYS H 1 10 LYS QB . . 3.360 2.566 2.202 3.150 . 0 0 "[ . 1 . 2]" 1
1973 1 10 LYS HA 1 10 LYS QG . . 3.420 2.702 2.163 3.397 . 0 0 "[ . 1 . 2]" 1
1974 1 10 LYS QB 1 11 THR HA . . 5.340 4.650 4.081 5.218 . 0 0 "[ . 1 . 2]" 1
1975 1 10 LYS QB 1 12 ILE H . . 5.340 4.441 4.088 5.001 . 0 0 "[ . 1 . 2]" 1
1976 1 11 THR H 1 12 ILE QG . . 5.340 3.473 2.793 4.062 . 0 0 "[ . 1 . 2]" 1
1977 1 11 THR HA 1 12 ILE QG . . 5.240 4.614 4.489 4.768 . 0 0 "[ . 1 . 2]" 1
1978 1 11 THR HA 1 58 ARG QD . . 4.540 3.157 2.481 4.043 . 0 0 "[ . 1 . 2]" 1
1979 1 12 ILE H 1 58 ARG QD . . 4.850 3.545 3.102 4.178 . 0 0 "[ . 1 . 2]" 1
1980 1 12 ILE HA 1 12 ILE QG . . 3.310 2.435 2.384 2.498 . 0 0 "[ . 1 . 2]" 1
1981 1 12 ILE QG 1 12 ILE MG . . 3.340 2.307 2.222 2.398 . 0 0 "[ . 1 . 2]" 1
1982 1 12 ILE QG 1 13 THR H . . 5.260 4.293 4.191 4.393 . 0 0 "[ . 1 . 2]" 1
1983 1 13 THR HA 1 58 ARG QD . . 3.560 2.655 2.412 3.361 . 0 0 "[ . 1 . 2]" 1
1984 1 14 THR H 1 58 ARG QD . . 5.340 4.633 4.412 5.113 . 0 0 "[ . 1 . 2]" 1
1985 1 15 LEU MD1 1 68 SER QB . . 4.820 3.290 3.034 3.557 . 0 0 "[ . 1 . 2]" 1
1986 1 16 TYR HA 1 50 CYS QB . . 5.340 4.944 4.762 5.076 . 0 0 "[ . 1 . 2]" 1
1987 1 16 TYR HB2 1 82 LYS QB . . 5.340 5.327 5.280 5.355 0.015 8 0 "[ . 1 . 2]" 1
1988 1 16 TYR HB2 1 82 LYS QG . . 4.060 3.520 3.194 3.871 . 0 0 "[ . 1 . 2]" 1
1989 1 16 TYR HB3 1 82 LYS QB . . 3.870 3.878 3.810 3.932 0.062 15 0 "[ . 1 . 2]" 1
1990 1 16 TYR HB3 1 82 LYS QG . . 3.350 2.167 1.903 2.474 . 0 0 "[ . 1 . 2]" 1
1991 1 16 TYR QD 1 82 LYS QG . . 3.340 1.906 1.779 2.092 . 0 0 "[ . 1 . 2]" 1
1992 1 16 TYR QD 1 82 LYS QE . . 4.890 3.140 2.686 4.105 . 0 0 "[ . 1 . 2]" 1
1993 1 16 TYR QE 1 82 LYS QE . . 4.200 2.607 1.992 3.741 . 0 0 "[ . 1 . 2]" 1
1994 1 17 VAL H 1 50 CYS QB . . 4.370 3.373 3.291 3.433 . 0 0 "[ . 1 . 2]" 1
1995 1 17 VAL H 1 82 LYS QG . . 5.340 4.997 4.763 5.171 . 0 0 "[ . 1 . 2]" 1
1996 1 18 GLY HA3 1 50 CYS QB . . 3.960 3.504 3.180 3.701 . 0 0 "[ . 1 . 2]" 1
1997 1 19 GLY H 1 50 CYS QB . . 4.740 4.105 3.894 4.333 . 0 0 "[ . 1 . 2]" 1
1998 1 20 LEU HA 1 29 LEU QD . . 4.910 4.050 3.887 4.223 . 0 0 "[ . 1 . 2]" 1
1999 1 20 LEU HG 1 50 CYS QB . . 4.390 4.115 3.939 4.353 . 0 0 "[ . 1 . 2]" 1
2000 1 21 GLY HA2 1 49 GLN QE . . 4.530 3.381 2.028 4.498 . 0 0 "[ . 1 . 2]" 1
2001 1 24 ILE H 1 77 ARG QD . . 5.100 4.168 3.816 4.386 . 0 0 "[ . 1 . 2]" 1
2002 1 24 ILE HA 1 29 LEU QD . . 5.290 4.907 4.771 5.126 . 0 0 "[ . 1 . 2]" 1
2003 1 24 ILE HA 1 75 ASN QD . . 3.920 2.535 2.119 3.295 . 0 0 "[ . 1 . 2]" 1
2004 1 24 ILE MG 1 75 ASN QD . . 4.060 3.062 2.857 3.308 . 0 0 "[ . 1 . 2]" 1
2005 1 24 ILE HG12 1 75 ASN QD . . 3.940 1.978 1.891 2.320 . 0 0 "[ . 1 . 2]" 1
2006 1 24 ILE HG12 1 77 ARG QD . . 4.050 3.898 3.178 4.063 0.013 16 0 "[ . 1 . 2]" 1
2007 1 24 ILE HG13 1 75 ASN QD . . 4.980 3.147 2.544 3.849 . 0 0 "[ . 1 . 2]" 1
2008 1 24 ILE HG13 1 77 ARG QD . . 3.200 2.831 2.089 3.030 . 0 0 "[ . 1 . 2]" 1
2009 1 24 ILE MD 1 75 ASN QD . . 4.260 3.504 3.437 3.560 . 0 0 "[ . 1 . 2]" 1
2010 1 24 ILE MD 1 77 ARG QD . . 3.240 2.018 1.860 2.336 . 0 0 "[ . 1 . 2]" 1
2011 1 25 THR H 1 29 LEU QD . . 5.440 4.245 4.052 4.459 . 0 0 "[ . 1 . 2]" 1
2012 1 25 THR HA 1 26 GLU QB . . 4.880 4.351 4.326 4.376 . 0 0 "[ . 1 . 2]" 1
2013 1 25 THR HG1 1 26 GLU QB . . 4.680 4.028 3.793 4.177 . 0 0 "[ . 1 . 2]" 1
2014 1 26 GLU H 1 26 GLU QB . . 3.040 2.240 2.207 2.256 . 0 0 "[ . 1 . 2]" 1
2015 1 26 GLU HA 1 29 LEU QD . . 3.380 2.619 2.038 2.961 . 0 0 "[ . 1 . 2]" 1
2016 1 26 GLU QB 1 27 THR H . . 3.400 2.263 2.142 2.368 . 0 0 "[ . 1 . 2]" 1
2017 1 26 GLU QB 1 44 VAL MG2 . . 3.330 1.975 1.878 2.129 . 0 0 "[ . 1 . 2]" 1
2018 1 26 GLU QG 1 30 ARG QD . . 4.930 3.929 3.202 4.674 . 0 0 "[ . 1 . 2]" 1
2019 1 26 GLU QG 1 42 ILE QG . . 5.340 4.350 4.120 4.625 . 0 0 "[ . 1 . 2]" 1
2020 1 27 THR HA 1 30 ARG QD . . 4.470 3.280 2.991 3.655 . 0 0 "[ . 1 . 2]" 1
2021 1 27 THR MG 1 31 ASN QB . . 3.920 3.388 3.024 3.714 . 0 0 "[ . 1 . 2]" 1
2022 1 27 THR MG 1 31 ASN QD . . 3.540 1.866 1.681 2.723 . 0 0 "[ . 1 . 2]" 1
2023 1 28 ASP H 1 29 LEU QD . . 5.440 4.788 4.639 4.910 . 0 0 "[ . 1 . 2]" 1
2024 1 28 ASP HA 1 29 LEU QD . . 5.210 5.019 4.845 5.165 . 0 0 "[ . 1 . 2]" 1
2025 1 28 ASP HA 1 31 ASN QD . . 3.820 3.640 1.788 3.822 0.002 14 0 "[ . 1 . 2]" 1
2026 1 28 ASP HB2 1 29 LEU QD . . 4.780 3.796 3.648 3.893 . 0 0 "[ . 1 . 2]" 1
2027 1 28 ASP HB2 1 75 ASN QD . . 4.420 4.105 3.481 4.316 . 0 0 "[ . 1 . 2]" 1
2028 1 28 ASP HB3 1 29 LEU QD . . 5.280 3.527 3.261 3.836 . 0 0 "[ . 1 . 2]" 1
2029 1 28 ASP HB3 1 75 ASN QD . . 4.850 3.704 2.972 4.015 . 0 0 "[ . 1 . 2]" 1
2030 1 29 LEU H 1 29 LEU QD . . 3.200 2.988 2.838 3.105 . 0 0 "[ . 1 . 2]" 1
2031 1 29 LEU HA 1 29 LEU QD . . 2.820 2.316 2.086 2.454 . 0 0 "[ . 1 . 2]" 1
2032 1 29 LEU HB2 1 29 LEU QD . . 2.910 2.110 2.019 2.240 . 0 0 "[ . 1 . 2]" 1
2033 1 29 LEU QD 1 30 ARG H . . 4.470 3.808 3.702 3.877 . 0 0 "[ . 1 . 2]" 1
2034 1 29 LEU QD 1 32 HIS H . . 5.050 4.848 4.660 5.053 0.003 16 0 "[ . 1 . 2]" 1
2035 1 29 LEU QD 1 32 HIS HB3 . . 4.520 3.664 3.495 3.837 . 0 0 "[ . 1 . 2]" 1
2036 1 29 LEU QD 1 33 PHE QE . . 3.280 2.444 2.101 2.765 . 0 0 "[ . 1 . 2]" 1
2037 1 29 LEU QD 1 44 VAL MG1 . . 3.400 3.270 3.004 3.399 . 0 0 "[ . 1 . 2]" 1
2038 1 29 LEU QD 1 51 ALA MB . . 2.860 2.055 1.940 2.130 . 0 0 "[ . 1 . 2]" 1
2039 1 29 LEU QD 1 53 ILE MD . . 3.060 2.588 2.451 2.766 . 0 0 "[ . 1 . 2]" 1
2040 1 29 LEU QD 1 74 VAL HB . . 3.940 3.651 3.220 3.925 . 0 0 "[ . 1 . 2]" 1
2041 1 29 LEU QD 1 74 VAL MG2 . . 3.910 2.591 2.052 2.981 . 0 0 "[ . 1 . 2]" 1
2042 1 29 LEU QD 1 75 ASN QD . . 5.020 4.938 4.615 5.027 0.007 15 0 "[ . 1 . 2]" 1
2043 1 30 ARG H 1 31 ASN QB . . 5.010 4.792 4.741 4.894 . 0 0 "[ . 1 . 2]" 1
2044 1 30 ARG HA 1 30 ARG QD . . 4.840 4.043 3.658 4.237 . 0 0 "[ . 1 . 2]" 1
2045 1 30 ARG HA 1 34 TYR QB . . 4.780 4.110 4.073 4.138 . 0 0 "[ . 1 . 2]" 1
2046 1 30 ARG QB 1 31 ASN QB . . 4.910 4.123 3.838 4.251 . 0 0 "[ . 1 . 2]" 1
2047 1 30 ARG QB 1 34 TYR QB . . 5.340 4.437 4.342 4.527 . 0 0 "[ . 1 . 2]" 1
2048 1 30 ARG QG 1 34 TYR QB . . 3.710 3.000 2.802 3.155 . 0 0 "[ . 1 . 2]" 1
2049 1 30 ARG QD 1 42 ILE MD . . 4.190 3.092 2.228 3.790 . 0 0 "[ . 1 . 2]" 1
2050 1 31 ASN H 1 31 ASN QB . . 2.840 2.220 2.186 2.266 . 0 0 "[ . 1 . 2]" 1
2051 1 31 ASN H 1 31 ASN QD . . 3.940 2.845 2.388 3.244 . 0 0 "[ . 1 . 2]" 1
2052 1 31 ASN HA 1 34 TYR QB . . 3.980 1.989 1.961 2.023 . 0 0 "[ . 1 . 2]" 1
2053 1 31 ASN QB 1 31 ASN QD . . 2.940 2.098 2.063 2.199 . 0 0 "[ . 1 . 2]" 1
2054 1 31 ASN QB 1 32 HIS H . . 3.370 2.674 2.550 3.337 . 0 0 "[ . 1 . 2]" 1
2055 1 31 ASN QB 1 34 TYR QD . . 4.840 3.879 3.562 3.938 . 0 0 "[ . 1 . 2]" 1
2056 1 31 ASN QD 1 32 HIS H . . 4.530 4.386 3.346 4.549 0.019 20 0 "[ . 1 . 2]" 1
2057 1 32 HIS HA 1 35 GLN QG . . 5.010 3.957 3.728 4.148 . 0 0 "[ . 1 . 2]" 1
2058 1 32 HIS HA 1 35 GLN QE . . 3.780 3.194 2.588 3.674 . 0 0 "[ . 1 . 2]" 1
2059 1 32 HIS HE1 1 35 GLN QE . . 3.900 3.613 3.154 3.899 . 0 0 "[ . 1 . 2]" 1
2060 1 33 PHE HA 1 35 GLN QG . . 4.170 3.083 2.939 3.278 . 0 0 "[ . 1 . 2]" 1
2061 1 33 PHE HA 1 35 GLN QE . . 5.020 3.646 3.304 3.958 . 0 0 "[ . 1 . 2]" 1
2062 1 33 PHE QD 1 68 SER QB . . 5.340 4.763 4.129 5.230 . 0 0 "[ . 1 . 2]" 1
2063 1 33 PHE HZ 1 68 SER QB . . 4.840 3.365 2.886 3.840 . 0 0 "[ . 1 . 2]" 1
2064 1 34 TYR H 1 34 TYR QB . . 2.890 2.183 2.163 2.199 . 0 0 "[ . 1 . 2]" 1
2065 1 34 TYR QB 1 35 GLN H . . 4.180 2.912 2.742 3.171 . 0 0 "[ . 1 . 2]" 1
2066 1 34 TYR QB 1 35 GLN HA . . 4.980 4.485 4.439 4.565 . 0 0 "[ . 1 . 2]" 1
2067 1 34 TYR QB 1 39 ILE HG13 . . 4.570 3.508 3.380 3.779 . 0 0 "[ . 1 . 2]" 1
2068 1 34 TYR QB 1 39 ILE MD . . 3.510 1.980 1.940 2.119 . 0 0 "[ . 1 . 2]" 1
2069 1 34 TYR QD 1 35 GLN QG . . 5.340 5.068 4.919 5.257 . 0 0 "[ . 1 . 2]" 1
2070 1 35 GLN H 1 35 GLN QG . . 3.540 2.417 2.190 2.606 . 0 0 "[ . 1 . 2]" 1
2071 1 35 GLN HB3 1 35 GLN QE . . 4.310 3.494 2.970 3.972 . 0 0 "[ . 1 . 2]" 1
2072 1 35 GLN QG 1 36 PHE H . . 3.340 1.998 1.843 2.126 . 0 0 "[ . 1 . 2]" 1
2073 1 35 GLN QG 1 36 PHE HA . . 4.600 3.000 2.894 3.232 . 0 0 "[ . 1 . 2]" 1
2074 1 35 GLN QG 1 36 PHE QD . . 4.680 2.821 2.158 3.159 . 0 0 "[ . 1 . 2]" 1
2075 1 36 PHE QE 1 67 LYS QE . . 5.340 2.450 1.846 3.392 . 0 0 "[ . 1 . 2]" 1
2076 1 36 PHE HZ 1 67 LYS QE . . 5.340 4.009 3.761 4.713 . 0 0 "[ . 1 . 2]" 1
2077 1 38 GLU H 1 38 GLU QG . . 4.110 4.001 3.938 4.060 . 0 0 "[ . 1 . 2]" 1
2078 1 38 GLU HA 1 38 GLU QG . . 3.250 2.527 2.321 2.826 . 0 0 "[ . 1 . 2]" 1
2079 1 38 GLU QG 1 39 ILE H . . 3.340 2.530 2.156 2.866 . 0 0 "[ . 1 . 2]" 1
2080 1 38 GLU QG 1 39 ILE HA . . 5.140 4.018 3.824 4.312 . 0 0 "[ . 1 . 2]" 1
2081 1 38 GLU QG 1 40 ARG HA . . 4.380 3.829 3.652 4.006 . 0 0 "[ . 1 . 2]" 1
2082 1 38 GLU QG 1 56 ALA H . . 3.960 3.671 3.346 3.937 . 0 0 "[ . 1 . 2]" 1
2083 1 38 GLU QG 1 56 ALA MB . . 2.890 2.735 2.282 2.891 0.001 15 0 "[ . 1 . 2]" 1
2084 1 39 ILE MG 1 42 ILE QG . . 4.210 1.905 1.806 2.007 . 0 0 "[ . 1 . 2]" 1
2085 1 40 ARG HB3 1 54 GLN QE . . 4.460 3.352 1.931 4.462 0.002 16 0 "[ . 1 . 2]" 1
2086 1 40 ARG QD 1 54 GLN QE . . 4.330 2.554 1.731 4.261 . 0 0 "[ . 1 . 2]" 1
2087 1 41 THR H 1 42 ILE QG . . 5.340 3.789 3.742 3.845 . 0 0 "[ . 1 . 2]" 1
2088 1 41 THR MG 1 54 GLN QE . . 4.830 3.296 2.493 3.929 . 0 0 "[ . 1 . 2]" 1
2089 1 42 ILE QG 1 53 ILE HA . . 3.940 2.418 2.224 2.641 . 0 0 "[ . 1 . 2]" 1
2090 1 45 VAL HB 1 48 GLN QB . . 3.630 2.292 1.983 2.853 . 0 0 "[ . 1 . 2]" 1
2091 1 45 VAL MG1 1 47 ARG QB . . 3.810 3.028 2.079 3.542 . 0 0 "[ . 1 . 2]" 1
2092 1 45 VAL MG1 1 48 GLN QB . . 3.060 2.014 1.925 2.211 . 0 0 "[ . 1 . 2]" 1
2093 1 45 VAL MG1 1 48 GLN QG . . 3.320 2.408 1.960 2.752 . 0 0 "[ . 1 . 2]" 1
2094 1 45 VAL MG1 1 48 GLN QE . . 4.600 3.599 2.025 4.578 . 0 0 "[ . 1 . 2]" 1
2095 1 45 VAL MG1 1 50 CYS QB . . 5.340 5.037 4.512 5.211 . 0 0 "[ . 1 . 2]" 1
2096 1 45 VAL MG2 1 48 GLN QB . . 4.390 3.482 3.240 3.899 . 0 0 "[ . 1 . 2]" 1
2097 1 46 GLN HA 1 46 GLN QE . . 5.230 4.449 3.025 5.130 . 0 0 "[ . 1 . 2]" 1
2098 1 47 ARG QG 1 48 GLN QB . . 5.180 3.334 2.878 4.443 . 0 0 "[ . 1 . 2]" 1
2099 1 47 ARG QG 1 48 GLN QG . . 3.700 2.209 1.907 3.023 . 0 0 "[ . 1 . 2]" 1
2100 1 48 GLN H 1 48 GLN QB . . 3.300 2.443 2.342 2.568 . 0 0 "[ . 1 . 2]" 1
2101 1 48 GLN H 1 48 GLN QG . . 3.730 3.102 2.754 3.534 . 0 0 "[ . 1 . 2]" 1
2102 1 48 GLN HA 1 48 GLN QG . . 3.220 2.430 2.122 2.834 . 0 0 "[ . 1 . 2]" 1
2103 1 48 GLN QB 1 49 GLN H . . 4.250 3.565 3.110 3.698 . 0 0 "[ . 1 . 2]" 1
2104 1 48 GLN QB 1 49 GLN HA . . 5.340 4.885 4.696 4.966 . 0 0 "[ . 1 . 2]" 1
2105 1 48 GLN QB 1 50 CYS H . . 3.900 3.384 3.241 3.558 . 0 0 "[ . 1 . 2]" 1
2106 1 48 GLN QG 1 49 GLN H . . 5.130 4.555 4.453 4.737 . 0 0 "[ . 1 . 2]" 1
2107 1 50 CYS H 1 50 CYS QB . . 3.550 3.077 2.914 3.192 . 0 0 "[ . 1 . 2]" 1
2108 1 50 CYS QB 1 51 ALA H . . 3.020 2.265 2.154 2.454 . 0 0 "[ . 1 . 2]" 1
2109 1 50 CYS QB 1 51 ALA MB . . 4.560 4.317 4.152 4.446 . 0 0 "[ . 1 . 2]" 1
2110 1 58 ARG HA 1 58 ARG QD . . 3.080 2.254 2.091 2.729 . 0 0 "[ . 1 . 2]" 1
2111 1 58 ARG QD 1 59 GLN H . . 5.340 4.748 4.512 4.952 . 0 0 "[ . 1 . 2]" 1
2112 1 58 ARG QD 1 62 GLU H . . 4.670 3.208 2.789 3.754 . 0 0 "[ . 1 . 2]" 1
2113 1 58 ARG QD 1 62 GLU HG2 . . 5.020 3.953 1.980 4.485 . 0 0 "[ . 1 . 2]" 1
2114 1 58 ARG QD 1 62 GLU HG3 . . 3.740 3.098 2.061 3.565 . 0 0 "[ . 1 . 2]" 1
2115 1 58 ARG QD 1 83 TRP HZ3 . . 4.810 3.500 3.119 3.765 . 0 0 "[ . 1 . 2]" 1
2116 1 58 ARG QD 1 83 TRP HZ2 . . 5.340 4.694 3.764 5.052 . 0 0 "[ . 1 . 2]" 1
2117 1 58 ARG QD 1 83 TRP HH2 . . 4.040 2.929 2.341 3.236 . 0 0 "[ . 1 . 2]" 1
2118 1 59 GLN QE 1 63 VAL MG2 . . 4.580 3.337 2.467 4.041 . 0 0 "[ . 1 . 2]" 1
2119 1 63 VAL MG1 1 66 GLU QB . . 4.780 4.395 4.114 4.648 . 0 0 "[ . 1 . 2]" 1
2120 1 63 VAL MG2 1 66 GLU QB . . 5.340 5.195 4.939 5.346 0.006 12 0 "[ . 1 . 2]" 1
2121 1 64 ALA MB 1 68 SER QB . . 5.290 3.595 3.128 3.955 . 0 0 "[ . 1 . 2]" 1
2122 1 65 ALA H 1 66 GLU QB . . 5.340 4.764 4.619 4.936 . 0 0 "[ . 1 . 2]" 1
2123 1 65 ALA HA 1 68 SER QB . . 3.620 2.947 2.401 3.634 0.014 16 0 "[ . 1 . 2]" 1
2124 1 65 ALA MB 1 66 GLU QB . . 4.350 3.690 3.460 4.223 . 0 0 "[ . 1 . 2]" 1
2125 1 66 GLU H 1 66 GLU QB . . 2.840 2.261 2.147 2.497 . 0 0 "[ . 1 . 2]" 1
2126 1 66 GLU H 1 66 GLU QG . . 4.110 3.325 2.153 4.072 . 0 0 "[ . 1 . 2]" 1
2127 1 66 GLU HA 1 66 GLU QG . . 3.440 2.541 2.218 2.937 . 0 0 "[ . 1 . 2]" 1
2128 1 66 GLU QB 1 67 LYS H . . 3.340 2.724 2.476 2.932 . 0 0 "[ . 1 . 2]" 1
2129 1 66 GLU QB 1 67 LYS HA . . 4.600 4.052 3.838 4.321 . 0 0 "[ . 1 . 2]" 1
2130 1 66 GLU QB 1 67 LYS QG . . 3.910 3.505 3.333 3.675 . 0 0 "[ . 1 . 2]" 1
2131 1 66 GLU QG 1 67 LYS H . . 4.690 4.143 3.627 4.545 . 0 0 "[ . 1 . 2]" 1
2132 1 67 LYS H 1 67 LYS QE . . 5.340 4.797 4.163 5.309 . 0 0 "[ . 1 . 2]" 1
2133 1 67 LYS H 1 68 SER QB . . 4.800 4.311 4.165 4.500 . 0 0 "[ . 1 . 2]" 1
2134 1 67 LYS HB3 1 67 LYS QE . . 4.990 3.803 3.063 4.028 . 0 0 "[ . 1 . 2]" 1
2135 1 68 SER H 1 68 SER QB . . 3.140 2.601 2.376 2.968 . 0 0 "[ . 1 . 2]" 1
2136 1 68 SER HA 1 71 LYS QB . . 3.940 3.265 3.082 3.419 . 0 0 "[ . 1 . 2]" 1
2137 1 68 SER QB 1 69 PHE HA . . 4.540 4.128 3.891 4.509 . 0 0 "[ . 1 . 2]" 1
2138 1 68 SER QB 1 69 PHE QD . . 4.170 3.439 3.062 3.930 . 0 0 "[ . 1 . 2]" 1
2139 1 68 SER QB 1 69 PHE QE . . 5.340 4.681 4.131 5.221 . 0 0 "[ . 1 . 2]" 1
2140 1 68 SER QB 1 71 LYS H . . 5.150 4.667 4.473 4.828 . 0 0 "[ . 1 . 2]" 1
2141 1 68 SER QB 1 72 LEU HB2 . . 3.910 3.150 2.784 3.566 . 0 0 "[ . 1 . 2]" 1
2142 1 68 SER QB 1 72 LEU HB3 . . 3.850 3.195 2.942 3.474 . 0 0 "[ . 1 . 2]" 1
2143 1 68 SER QB 1 72 LEU MD1 . . 4.630 4.090 3.691 4.494 . 0 0 "[ . 1 . 2]" 1
2144 1 68 SER QB 1 72 LEU MD2 . . 3.790 2.832 2.521 3.125 . 0 0 "[ . 1 . 2]" 1
2145 1 68 SER QB 1 81 VAL HB . . 4.850 2.559 2.106 2.943 . 0 0 "[ . 1 . 2]" 1
2146 1 68 SER QB 1 81 VAL MG2 . . 3.460 1.995 1.904 2.092 . 0 0 "[ . 1 . 2]" 1
2147 1 70 ASN QB 1 71 LYS H . . 4.330 3.833 3.739 4.044 . 0 0 "[ . 1 . 2]" 1
2148 1 70 ASN QB 1 71 LYS HA . . 5.340 4.405 4.286 4.655 . 0 0 "[ . 1 . 2]" 1
2149 1 70 ASN QB 1 78 ARG QD . . 4.350 3.809 3.230 4.357 0.007 3 0 "[ . 1 . 2]" 1
2150 1 70 ASN QD 1 78 ARG QD . . 5.340 3.810 2.116 5.343 0.003 6 0 "[ . 1 . 2]" 1
2151 1 71 LYS H 1 71 LYS QB . . 3.220 2.542 2.452 2.607 . 0 0 "[ . 1 . 2]" 1
2152 1 71 LYS HA 1 71 LYS QG . . 3.240 2.363 2.187 2.498 . 0 0 "[ . 1 . 2]" 1
2153 1 71 LYS QB 1 71 LYS QD . . 3.300 2.147 2.033 2.427 . 0 0 "[ . 1 . 2]" 1
2154 1 71 LYS QB 1 71 LYS QE . . 3.760 3.057 1.993 3.681 . 0 0 "[ . 1 . 2]" 1
2155 1 71 LYS QB 1 72 LEU H . . 3.890 2.772 2.619 2.932 . 0 0 "[ . 1 . 2]" 1
2156 1 71 LYS QB 1 72 LEU HA . . 4.860 4.054 3.842 4.295 . 0 0 "[ . 1 . 2]" 1
2157 1 71 LYS QE 1 71 LYS QG . . 3.340 2.219 2.067 2.494 . 0 0 "[ . 1 . 2]" 1
2158 1 73 ILE HA 1 78 ARG QG . . 4.180 4.049 3.850 4.186 0.006 20 0 "[ . 1 . 2]" 1
2159 1 73 ILE MG 1 76 GLY QA . . 3.350 2.633 2.478 2.782 . 0 0 "[ . 1 . 2]" 1
2160 1 73 ILE HG12 1 78 ARG QG . . 3.590 2.224 2.020 2.431 . 0 0 "[ . 1 . 2]" 1
2161 1 73 ILE MD 1 78 ARG QG . . 3.380 2.424 2.124 2.764 . 0 0 "[ . 1 . 2]" 1
2162 1 75 ASN HA 1 76 GLY QA . . 4.310 4.028 4.006 4.053 . 0 0 "[ . 1 . 2]" 1
2163 1 75 ASN HB2 1 75 ASN QD . . 3.290 2.106 2.095 2.141 . 0 0 "[ . 1 . 2]" 1
2164 1 77 ARG H 1 77 ARG QG . . 4.250 4.116 4.049 4.155 . 0 0 "[ . 1 . 2]" 1
2165 1 77 ARG HA 1 77 ARG QG . . 3.270 2.491 2.363 2.566 . 0 0 "[ . 1 . 2]" 1
2166 1 77 ARG HB2 1 77 ARG QD . . 3.640 2.590 2.334 2.731 . 0 0 "[ . 1 . 2]" 1
2167 1 77 ARG HB3 1 77 ARG QD . . 3.570 2.271 2.188 2.595 . 0 0 "[ . 1 . 2]" 1
2168 1 77 ARG QG 1 78 ARG H . . 3.370 3.291 3.107 3.375 0.005 8 0 "[ . 1 . 2]" 1
2169 1 77 ARG QD 1 79 LEU MD2 . . 3.560 2.433 2.056 3.284 . 0 0 "[ . 1 . 2]" 1
2170 1 78 ARG QG 1 79 LEU H . . 3.610 2.269 2.110 2.491 . 0 0 "[ . 1 . 2]" 1
2171 1 81 VAL HA 1 82 LYS QG . . 4.150 3.597 3.144 4.211 0.061 19 0 "[ . 1 . 2]" 1
2172 1 81 VAL HA 1 82 LYS QE . . 4.860 4.731 4.489 4.933 0.073 15 0 "[ . 1 . 2]" 1
2173 1 82 LYS H 1 82 LYS QB . . 3.550 3.193 2.983 3.350 . 0 0 "[ . 1 . 2]" 1
2174 1 82 LYS H 1 82 LYS QG . . 3.510 2.499 2.284 2.841 . 0 0 "[ . 1 . 2]" 1
2175 1 82 LYS HA 1 82 LYS QG . . 3.550 3.283 3.236 3.322 . 0 0 "[ . 1 . 2]" 1
2176 1 82 LYS QB 1 82 LYS QE . . 4.130 2.721 1.960 3.594 . 0 0 "[ . 1 . 2]" 1
2177 1 82 LYS QB 1 83 TRP H . . 3.280 2.683 2.403 2.925 . 0 0 "[ . 1 . 2]" 1
2178 1 82 LYS QE 1 82 LYS QG . . 3.270 2.199 2.038 2.448 . 0 0 "[ . 1 . 2]" 1
2179 1 82 LYS QG 1 83 TRP H . . 4.950 3.780 2.798 4.385 . 0 0 "[ . 1 . 2]" 1
2180 1 85 ARG H 1 85 ARG QB . . 3.310 2.462 2.247 3.178 . 0 0 "[ . 1 . 2]" 1
2181 1 85 ARG H 1 85 ARG QD . . 5.340 4.593 3.762 5.044 . 0 0 "[ . 1 . 2]" 1
2182 1 85 ARG HA 1 85 ARG QD . . 3.990 3.414 2.137 4.070 0.080 14 0 "[ . 1 . 2]" 1
2183 1 85 ARG QB 1 85 ARG QD . . 3.200 2.231 2.039 2.593 . 0 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 44
_Distance_constraint_stats_list.Viol_count 875
_Distance_constraint_stats_list.Viol_total 5524.085
_Distance_constraint_stats_list.Viol_max 0.677
_Distance_constraint_stats_list.Viol_rms 0.1388
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3139
_Distance_constraint_stats_list.Viol_average_violations_only 0.3157
_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 15 LEU 51.413 0.606 18 16 "[***** * *** * ***+*-]"
1 16 TYR 44.599 0.536 15 5 "[ *.* 1 * + - 2]"
1 17 VAL 49.961 0.677 2 18 "[*+************* *-*2]"
1 18 GLY 27.101 0.512 9 6 "[*** . * +1 -. 2]"
1 41 THR 27.065 0.582 17 8 "[* *.** *1** . + 2]"
1 43 THR 59.235 0.619 12 18 "[***********+ **** **]"
1 45 VAL 16.831 0.516 18 1 "[ . 1 . + 2]"
1 50 CYS 16.831 0.516 18 1 "[ . 1 . + 2]"
1 51 ALA 49.961 0.677 2 18 "[*+************* *-*2]"
1 52 PHE 59.235 0.619 12 18 "[***********+ **** **]"
1 53 ILE 51.413 0.606 18 16 "[***** * *** * ***+*-]"
1 54 GLN 27.065 0.582 17 8 "[* *.** *1** . + 2]"
1 80 ASN 27.101 0.512 9 6 "[*** . * +1 -. 2]"
1 82 LYS 44.599 0.536 15 5 "[ *.* 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 15 LEU H 1 53 ILE O . . 1.700 1.895 1.796 2.001 0.301 7 0 "[ . 1 . 2]" 2
2 1 15 LEU H 1 53 ILE C . . 2.600 2.948 2.852 3.012 0.412 3 0 "[ . 1 . 2]" 2
3 1 15 LEU N 1 53 ILE O . . 2.600 2.803 2.719 2.889 0.289 3 0 "[ . 1 . 2]" 2
4 1 15 LEU N 1 53 ILE C . . 3.600 3.910 3.814 3.977 0.377 3 0 "[ . 1 . 2]" 2
5 1 15 LEU O 1 53 ILE H . . 1.700 1.991 1.860 2.156 0.456 18 0 "[ . 1 . 2]" 2
6 1 15 LEU C 1 53 ILE H . . 2.600 3.123 3.024 3.206 0.606 18 16 "[***** * *** * ***+*-]" 2
7 1 15 LEU O 1 53 ILE N . . 2.600 2.892 2.764 2.986 0.386 5 0 "[ . 1 . 2]" 2
8 1 15 LEU C 1 53 ILE N . . 3.600 4.010 3.903 4.084 0.484 5 0 "[ . 1 . 2]" 2
9 1 17 VAL H 1 51 ALA O . . 1.700 2.140 1.865 2.202 0.502 10 3 "[ . + * . - 2]" 2
10 1 17 VAL H 1 51 ALA C . . 2.600 3.182 3.018 3.277 0.677 2 18 "[*+************* **-2]" 2
11 1 17 VAL N 1 51 ALA O . . 2.600 2.837 2.736 2.907 0.307 13 0 "[ . 1 . 2]" 2
12 1 17 VAL N 1 51 ALA C . . 3.600 3.979 3.902 4.052 0.452 2 0 "[ . 1 . 2]" 2
13 1 17 VAL O 1 51 ALA H . . 1.700 1.885 1.797 2.035 0.335 7 0 "[ . 1 . 2]" 2
14 1 17 VAL C 1 51 ALA H . . 2.600 2.914 2.745 3.014 0.414 14 0 "[ . 1 . 2]" 2
15 1 17 VAL O 1 51 ALA N . . 2.600 2.734 2.591 2.906 0.306 7 0 "[ . 1 . 2]" 2
16 1 17 VAL C 1 51 ALA N . . 3.600 3.828 3.663 3.952 0.352 14 0 "[ . 1 . 2]" 2
17 1 16 TYR H 1 82 LYS O . . 1.700 1.802 1.776 1.872 0.172 8 0 "[ . 1 . 2]" 2
18 1 16 TYR H 1 82 LYS C . . 2.600 2.972 2.921 3.010 0.410 8 0 "[ . 1 . 2]" 2
19 1 16 TYR N 1 82 LYS O . . 2.600 2.698 2.643 2.774 0.174 13 0 "[ . 1 . 2]" 2
20 1 16 TYR N 1 82 LYS C . . 3.600 3.875 3.807 3.931 0.331 2 0 "[ . 1 . 2]" 2
21 1 16 TYR O 1 82 LYS H . . 1.700 2.043 1.829 2.236 0.536 15 5 "[ *.* 1 * + - 2]" 2
22 1 16 TYR C 1 82 LYS H . . 2.600 2.960 2.848 3.022 0.422 6 0 "[ . 1 . 2]" 2
23 1 16 TYR O 1 82 LYS N . . 2.600 2.955 2.757 3.121 0.521 15 5 "[ *.* 1 * + - 2]" 2
24 1 16 TYR C 1 82 LYS N . . 3.600 3.925 3.825 3.986 0.386 6 0 "[ . 1 . 2]" 2
25 1 18 GLY H 1 80 ASN O . . 1.700 2.078 1.791 2.212 0.512 9 5 "[ ** . - +1 *. 2]" 2
26 1 18 GLY H 1 80 ASN C . . 2.600 2.954 2.663 3.089 0.489 1 0 "[ . 1 . 2]" 2
27 1 18 GLY N 1 80 ASN O . . 2.600 2.928 2.596 3.108 0.508 1 2 "[+ . 1 -. 2]" 2
28 1 18 GLY N 1 80 ASN C . . 3.600 3.895 3.585 4.066 0.466 1 0 "[ . 1 . 2]" 2
29 1 41 THR O 1 54 GLN H . . 1.700 1.891 1.818 1.979 0.279 17 0 "[ . 1 . 2]" 2
30 1 41 THR C 1 54 GLN H . . 2.600 3.094 3.036 3.182 0.582 17 8 "[- *.** *1** . + 2]" 2
31 1 41 THR O 1 54 GLN N . . 2.600 2.840 2.750 2.935 0.335 17 0 "[ . 1 . 2]" 2
32 1 41 THR C 1 54 GLN N . . 3.600 4.027 3.966 4.111 0.511 17 1 "[ . 1 . + 2]" 2
33 1 43 THR H 1 52 PHE O . . 1.700 2.175 2.062 2.220 0.520 7 9 "[ * .*+*** - *.* 2]" 2
34 1 43 THR H 1 52 PHE C . . 2.600 3.143 3.059 3.219 0.619 12 18 "[**********-+ **** **]" 2
35 1 43 THR N 1 52 PHE O . . 2.600 3.096 2.982 3.134 0.534 8 12 "[ * -**+**** *.* *]" 2
36 1 43 THR N 1 52 PHE C . . 3.600 4.060 3.954 4.155 0.555 12 2 "[ .- 1 + . 2]" 2
37 1 43 THR O 1 52 PHE H . . 1.700 1.987 1.832 2.189 0.489 7 0 "[ . 1 . 2]" 2
38 1 43 THR C 1 52 PHE H . . 2.600 2.824 2.744 2.900 0.300 12 0 "[ . 1 . 2]" 2
39 1 43 THR O 1 52 PHE N . . 2.600 2.893 2.724 2.984 0.384 12 0 "[ . 1 . 2]" 2
40 1 43 THR C 1 52 PHE N . . 3.600 3.783 3.704 3.853 0.253 12 0 "[ . 1 . 2]" 2
41 1 45 VAL H 1 50 CYS O . . 1.700 1.915 1.802 2.197 0.497 18 0 "[ . 1 . 2]" 2
42 1 45 VAL H 1 50 CYS C . . 2.600 2.934 2.795 3.116 0.516 18 1 "[ . 1 . + 2]" 2
43 1 45 VAL N 1 50 CYS O . . 2.600 2.686 2.594 2.890 0.290 18 0 "[ . 1 . 2]" 2
44 1 45 VAL N 1 50 CYS C . . 3.600 3.807 3.695 3.946 0.346 18 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 5
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 1378.307
_Distance_constraint_stats_list.Viol_max 2.884
_Distance_constraint_stats_list.Viol_rms 1.0841
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6892
_Distance_constraint_stats_list.Viol_average_violations_only 1.6809
_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 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.016 0.016 11 0 "[ . 1 . 2]"
1 31 ASN 0.016 0.016 11 0 "[ . 1 . 2]"
1 34 TYR 13.393 0.791 9 20 [********+******-****]
1 38 GLU 13.393 0.791 9 20 [********+******-****]
1 67 LYS 55.506 2.884 8 20 [*******+*-**********]
1 70 ASN 55.506 2.884 8 20 [*******+*-**********]
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 67 LYS HA 1 70 ASN H . . 5.000 7.775 7.625 7.884 2.884 8 20 [*******+*-**********] 3
2 1 34 TYR HA 1 38 GLU H . . 5.000 5.670 5.543 5.791 0.791 9 20 [********+******-****] 3
3 1 28 ASP HA 1 31 ASN QB . . 3.500 3.424 3.332 3.516 0.016 11 0 "[ . 1 . 2]" 3
4 1 16 TYR HD1 1 81 VAL HA . . 3.500 2.680 2.343 2.986 . 0 0 "[ . 1 . 2]" 3
5 1 16 TYR HD1 1 82 LYS H . . 2.500 2.116 1.887 2.397 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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