NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517642 |
2lc2   |
17588 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lc2
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 1557
_Distance_constraint_stats_list.Viol_count 292
_Distance_constraint_stats_list.Viol_total 66.020
_Distance_constraint_stats_list.Viol_max 0.120
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0113
_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 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 MET 0.069 0.051 6 0 "[ . 1 . 2]"
1 19 LEU 0.139 0.051 6 0 "[ . 1 . 2]"
1 20 GLN 0.070 0.041 19 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 8 0 "[ . 1 . 2]"
1 31 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.220 0.112 9 0 "[ . 1 . 2]"
1 33 LEU 0.580 0.108 17 0 "[ . 1 . 2]"
1 34 ARG 0.161 0.120 12 0 "[ . 1 . 2]"
1 35 VAL 0.144 0.120 12 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 ASP 0.000 0.000 5 0 "[ . 1 . 2]"
1 41 THR 0.003 0.003 10 0 "[ . 1 . 2]"
1 42 GLU 0.006 0.004 5 0 "[ . 1 . 2]"
1 43 GLU 0.188 0.045 20 0 "[ . 1 . 2]"
1 44 ARG 0.026 0.009 8 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.151 0.045 20 0 "[ . 1 . 2]"
1 47 LEU 0.097 0.018 20 0 "[ . 1 . 2]"
1 48 GLU 0.007 0.003 7 0 "[ . 1 . 2]"
1 49 LYS 0.410 0.098 5 0 "[ . 1 . 2]"
1 50 ALA 0.011 0.009 7 0 "[ . 1 . 2]"
1 51 ALA 0.004 0.004 7 0 "[ . 1 . 2]"
1 52 VAL 0.013 0.003 7 0 "[ . 1 . 2]"
1 53 LYS 0.086 0.035 10 0 "[ . 1 . 2]"
1 54 LYS 0.179 0.091 3 0 "[ . 1 . 2]"
1 55 MET 0.040 0.005 12 0 "[ . 1 . 2]"
1 56 ALA 0.008 0.003 10 0 "[ . 1 . 2]"
1 57 LYS 0.059 0.051 6 0 "[ . 1 . 2]"
1 58 ALA 0.004 0.001 1 0 "[ . 1 . 2]"
1 59 ILE 0.054 0.010 12 0 "[ . 1 . 2]"
1 60 MET 0.025 0.007 8 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASP 0.332 0.060 2 0 "[ . 1 . 2]"
1 63 PRO 0.349 0.060 2 0 "[ . 1 . 2]"
1 64 ASN 0.002 0.001 3 0 "[ . 1 . 2]"
1 65 LYS 0.081 0.017 14 0 "[ . 1 . 2]"
1 66 ALA 0.073 0.018 14 0 "[ . 1 . 2]"
1 67 ASP 0.007 0.004 13 0 "[ . 1 . 2]"
1 68 GLU 0.085 0.042 14 0 "[ . 1 . 2]"
1 69 VAL 0.070 0.042 14 0 "[ . 1 . 2]"
1 70 TYR 0.017 0.003 14 0 "[ . 1 . 2]"
1 71 LYS 0.001 0.001 10 0 "[ . 1 . 2]"
1 72 LYS 0.031 0.011 18 0 "[ . 1 . 2]"
1 73 TRP 0.043 0.021 18 0 "[ . 1 . 2]"
1 74 ALA 0.003 0.003 18 0 "[ . 1 . 2]"
1 75 ASP 0.003 0.002 18 0 "[ . 1 . 2]"
1 76 LYS 0.037 0.021 18 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.001 0.001 8 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.010 0.004 15 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 0.003 0.003 20 0 "[ . 1 . 2]"
1 83 MET 0.028 0.006 20 0 "[ . 1 . 2]"
1 84 SER 0.013 0.004 15 0 "[ . 1 . 2]"
1 85 ASN 0.011 0.004 8 0 "[ . 1 . 2]"
1 86 PHE 0.065 0.016 10 0 "[ . 1 . 2]"
1 87 LEU 0.102 0.035 10 0 "[ . 1 . 2]"
1 88 LYS 0.341 0.089 20 0 "[ . 1 . 2]"
1 89 SER 0.011 0.009 15 0 "[ . 1 . 2]"
1 90 LYS 0.109 0.061 20 0 "[ . 1 . 2]"
1 91 THR 0.027 0.012 15 0 "[ . 1 . 2]"
1 92 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLY 0.001 0.001 11 0 "[ . 1 . 2]"
1 94 LYS 0.052 0.034 15 0 "[ . 1 . 2]"
1 95 TYR 0.092 0.034 15 0 "[ . 1 . 2]"
1 96 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 VAL 0.024 0.004 8 0 "[ . 1 . 2]"
1 99 TYR 0.003 0.003 15 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 4 0 "[ . 1 . 2]"
1 101 GLY 0.001 0.001 20 0 "[ . 1 . 2]"
1 102 TYR 0.031 0.006 20 0 "[ . 1 . 2]"
1 103 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 ILE 0.021 0.010 13 0 "[ . 1 . 2]"
1 105 HIS 0.003 0.001 10 0 "[ . 1 . 2]"
1 106 LEU 0.011 0.004 9 0 "[ . 1 . 2]"
1 107 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 TYR 0.028 0.009 13 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 16 ALA H 1 16 ALA MB . . 3.570 2.366 2.034 2.895 . 0 0 "[ . 1 . 2]" 1
2 1 16 ALA MB 1 18 MET HA . . 4.380 4.335 4.244 4.377 . 0 0 "[ . 1 . 2]" 1
3 1 18 MET H 1 18 MET QB . . 3.390 2.366 2.119 3.096 . 0 0 "[ . 1 . 2]" 1
4 1 18 MET HA 1 18 MET HG2 . . 4.150 3.076 2.175 3.839 . 0 0 "[ . 1 . 2]" 1
5 1 18 MET HA 1 18 MET HG3 . . 4.150 2.977 2.260 3.815 . 0 0 "[ . 1 . 2]" 1
6 1 18 MET QB 1 19 LEU H . . 4.370 3.051 1.943 3.988 . 0 0 "[ . 1 . 2]" 1
7 1 18 MET QB 1 19 LEU HA . . 4.300 4.205 3.907 4.351 0.051 6 0 "[ . 1 . 2]" 1
8 1 19 LEU H 1 19 LEU HB2 . . 4.040 3.194 2.389 3.999 . 0 0 "[ . 1 . 2]" 1
9 1 19 LEU H 1 19 LEU QB . . 3.530 2.631 2.221 3.181 . 0 0 "[ . 1 . 2]" 1
10 1 19 LEU H 1 19 LEU HB3 . . 4.040 2.915 2.299 3.736 . 0 0 "[ . 1 . 2]" 1
11 1 19 LEU H 1 19 LEU MD1 . . 5.500 4.192 1.726 4.944 . 0 0 "[ . 1 . 2]" 1
12 1 19 LEU H 1 19 LEU QD . . 4.640 3.554 1.722 4.085 . 0 0 "[ . 1 . 2]" 1
13 1 19 LEU H 1 19 LEU MD2 . . 5.500 4.017 2.360 4.871 . 0 0 "[ . 1 . 2]" 1
14 1 19 LEU HA 1 19 LEU QD . . 3.530 2.739 1.897 3.403 . 0 0 "[ . 1 . 2]" 1
15 1 19 LEU QB 1 20 GLN H . . 4.440 3.151 1.948 3.898 . 0 0 "[ . 1 . 2]" 1
16 1 19 LEU HB2 1 20 GLN H . . 5.160 3.794 2.333 4.479 . 0 0 "[ . 1 . 2]" 1
17 1 19 LEU HB3 1 20 GLN H . . 5.160 3.592 1.958 4.287 . 0 0 "[ . 1 . 2]" 1
18 1 19 LEU QD 1 20 GLN H . . 5.370 2.752 1.874 4.107 . 0 0 "[ . 1 . 2]" 1
19 1 19 LEU QD 1 20 GLN HA . . 4.310 3.474 2.273 4.351 0.041 19 0 "[ . 1 . 2]" 1
20 1 19 LEU HG 1 20 GLN H . . 4.310 3.104 1.946 4.309 . 0 0 "[ . 1 . 2]" 1
21 1 20 GLN H 1 20 GLN QB . . 3.560 2.747 2.202 3.341 . 0 0 "[ . 1 . 2]" 1
22 1 20 GLN H 1 20 GLN HG2 . . 5.500 3.830 1.928 4.995 . 0 0 "[ . 1 . 2]" 1
23 1 20 GLN H 1 20 GLN QG . . 4.680 3.214 1.913 4.381 . 0 0 "[ . 1 . 2]" 1
24 1 20 GLN H 1 20 GLN HG3 . . 5.500 3.748 1.973 5.271 . 0 0 "[ . 1 . 2]" 1
25 1 20 GLN HA 1 20 GLN QG . . 3.710 2.847 2.188 3.488 . 0 0 "[ . 1 . 2]" 1
26 1 20 GLN HA 1 21 ALA H . . 3.490 2.401 2.140 3.489 . 0 0 "[ . 1 . 2]" 1
27 1 20 GLN QB 1 20 GLN QG . . 2.330 2.046 1.962 2.086 . 0 0 "[ . 1 . 2]" 1
28 1 20 GLN QB 1 21 ALA H . . 4.180 3.050 1.958 4.025 . 0 0 "[ . 1 . 2]" 1
29 1 20 GLN HB2 1 21 ALA H . . 4.840 3.575 1.968 4.580 . 0 0 "[ . 1 . 2]" 1
30 1 20 GLN HB3 1 21 ALA H . . 4.840 3.684 2.085 4.652 . 0 0 "[ . 1 . 2]" 1
31 1 21 ALA H 1 21 ALA MB . . 3.550 2.493 2.087 2.872 . 0 0 "[ . 1 . 2]" 1
32 1 21 ALA HA 1 22 ARG H . . 3.280 2.275 2.141 2.550 . 0 0 "[ . 1 . 2]" 1
33 1 21 ALA MB 1 22 ARG H . . 4.750 2.913 2.251 3.661 . 0 0 "[ . 1 . 2]" 1
34 1 22 ARG H 1 22 ARG QB . . 3.410 2.604 2.171 3.351 . 0 0 "[ . 1 . 2]" 1
35 1 22 ARG HA 1 23 LEU H . . 3.170 2.332 2.143 2.847 . 0 0 "[ . 1 . 2]" 1
36 1 22 ARG QB 1 23 LEU H . . 4.290 3.136 2.334 3.991 . 0 0 "[ . 1 . 2]" 1
37 1 23 LEU H 1 23 LEU QB . . 3.390 2.783 2.174 3.301 . 0 0 "[ . 1 . 2]" 1
38 1 23 LEU H 1 23 LEU QD . . 4.600 2.667 1.776 3.878 . 0 0 "[ . 1 . 2]" 1
39 1 23 LEU H 1 23 LEU HG . . 4.050 3.161 1.961 4.038 . 0 0 "[ . 1 . 2]" 1
40 1 23 LEU HA 1 23 LEU QD . . 3.590 2.885 2.018 3.411 . 0 0 "[ . 1 . 2]" 1
41 1 23 LEU QB 1 24 ASN H . . 4.050 2.773 2.022 3.839 . 0 0 "[ . 1 . 2]" 1
42 1 23 LEU HB2 1 24 ASN H . . 4.660 3.227 2.073 4.410 . 0 0 "[ . 1 . 2]" 1
43 1 23 LEU HB3 1 24 ASN H . . 4.660 3.566 2.040 4.528 . 0 0 "[ . 1 . 2]" 1
44 1 25 ASP QB 1 26 GLU H . . 4.420 3.062 2.089 4.027 . 0 0 "[ . 1 . 2]" 1
45 1 25 ASP HB2 1 26 GLU H . . 5.120 3.688 2.408 4.622 . 0 0 "[ . 1 . 2]" 1
46 1 25 ASP HB3 1 26 GLU H . . 5.120 3.525 2.111 4.502 . 0 0 "[ . 1 . 2]" 1
47 1 26 GLU H 1 26 GLU QB . . 3.520 2.599 2.238 3.268 . 0 0 "[ . 1 . 2]" 1
48 1 26 GLU H 1 26 GLU HG2 . . 5.150 3.976 2.052 5.143 . 0 0 "[ . 1 . 2]" 1
49 1 26 GLU H 1 26 GLU QG . . 4.400 3.469 2.038 4.356 . 0 0 "[ . 1 . 2]" 1
50 1 26 GLU H 1 26 GLU HG3 . . 5.150 4.075 2.573 4.965 . 0 0 "[ . 1 . 2]" 1
51 1 30 THR H 1 30 THR MG . . 3.880 2.912 1.880 3.880 0.000 8 0 "[ . 1 . 2]" 1
52 1 30 THR HA 1 30 THR MG . . 3.370 2.590 2.151 3.207 . 0 0 "[ . 1 . 2]" 1
53 1 30 THR HB 1 31 ARG H . . 4.630 3.595 2.097 4.512 . 0 0 "[ . 1 . 2]" 1
54 1 30 THR MG 1 31 ARG H . . 5.070 3.601 2.174 4.272 . 0 0 "[ . 1 . 2]" 1
55 1 31 ARG H 1 31 ARG HG2 . . 5.330 3.873 2.095 4.912 . 0 0 "[ . 1 . 2]" 1
56 1 31 ARG H 1 31 ARG QG . . 4.570 3.403 1.892 4.204 . 0 0 "[ . 1 . 2]" 1
57 1 31 ARG H 1 31 ARG HG3 . . 5.330 3.962 2.155 4.800 . 0 0 "[ . 1 . 2]" 1
58 1 31 ARG HA 1 31 ARG QG . . 3.510 2.618 2.225 3.453 . 0 0 "[ . 1 . 2]" 1
59 1 31 ARG HA 1 32 LEU H . . 3.510 2.289 2.141 2.634 . 0 0 "[ . 1 . 2]" 1
60 1 31 ARG QB 1 31 ARG QG . . 2.310 2.058 2.016 2.087 . 0 0 "[ . 1 . 2]" 1
61 1 32 LEU H 1 32 LEU QD . . 4.960 3.225 1.831 3.632 . 0 0 "[ . 1 . 2]" 1
62 1 32 LEU H 1 32 LEU HG . . 3.210 2.875 2.315 3.240 0.030 9 0 "[ . 1 . 2]" 1
63 1 32 LEU HA 1 32 LEU MD1 . . 4.370 3.830 3.060 3.960 . 0 0 "[ . 1 . 2]" 1
64 1 32 LEU HA 1 32 LEU QD . . 2.860 2.319 2.018 2.972 0.112 9 0 "[ . 1 . 2]" 1
65 1 32 LEU HA 1 32 LEU MD2 . . 4.370 2.397 2.025 3.633 . 0 0 "[ . 1 . 2]" 1
66 1 32 LEU HA 1 32 LEU HG . . 3.250 2.857 2.297 3.073 . 0 0 "[ . 1 . 2]" 1
67 1 32 LEU HA 1 33 LEU H . . 3.190 2.344 2.157 2.742 . 0 0 "[ . 1 . 2]" 1
68 1 32 LEU QB 1 33 LEU H . . 4.290 3.159 2.077 3.874 . 0 0 "[ . 1 . 2]" 1
69 1 32 LEU HB2 1 33 LEU H . . 4.930 4.105 3.343 4.531 . 0 0 "[ . 1 . 2]" 1
70 1 32 LEU HB3 1 33 LEU H . . 4.930 3.342 2.098 4.440 . 0 0 "[ . 1 . 2]" 1
71 1 32 LEU QD 1 33 LEU H . . 4.730 3.727 3.029 4.541 . 0 0 "[ . 1 . 2]" 1
72 1 33 LEU H 1 33 LEU HB2 . . 3.590 2.776 2.221 3.573 . 0 0 "[ . 1 . 2]" 1
73 1 33 LEU H 1 33 LEU QB . . 3.000 2.332 2.181 3.043 0.043 14 0 "[ . 1 . 2]" 1
74 1 33 LEU H 1 33 LEU HB3 . . 3.590 3.056 2.203 3.591 0.001 13 0 "[ . 1 . 2]" 1
75 1 33 LEU H 1 33 LEU QD . . 5.100 3.093 1.923 3.904 . 0 0 "[ . 1 . 2]" 1
76 1 33 LEU H 1 33 LEU HG . . 4.250 3.746 1.891 4.358 0.108 17 0 "[ . 1 . 2]" 1
77 1 33 LEU HA 1 33 LEU HG . . 3.440 2.862 2.255 3.546 0.106 16 0 "[ . 1 . 2]" 1
78 1 33 LEU HA 1 34 ARG H . . 3.210 2.384 2.158 3.227 0.017 9 0 "[ . 1 . 2]" 1
79 1 33 LEU QD 1 34 ARG H . . 5.000 3.423 1.887 4.423 . 0 0 "[ . 1 . 2]" 1
80 1 34 ARG H 1 34 ARG QB . . 3.460 2.681 2.169 3.186 . 0 0 "[ . 1 . 2]" 1
81 1 34 ARG H 1 34 ARG QG . . 4.740 3.071 1.962 4.384 . 0 0 "[ . 1 . 2]" 1
82 1 34 ARG HA 1 34 ARG HD2 . . 5.500 3.770 1.989 5.488 . 0 0 "[ . 1 . 2]" 1
83 1 34 ARG HA 1 34 ARG QD . . 4.710 3.164 1.977 4.424 . 0 0 "[ . 1 . 2]" 1
84 1 34 ARG HA 1 34 ARG HD3 . . 5.500 3.687 2.258 4.667 . 0 0 "[ . 1 . 2]" 1
85 1 34 ARG HA 1 35 VAL H . . 2.930 2.268 2.143 2.943 0.013 12 0 "[ . 1 . 2]" 1
86 1 34 ARG HA 1 35 VAL QG . . 4.280 3.601 3.327 4.291 0.011 12 0 "[ . 1 . 2]" 1
87 1 34 ARG QB 1 34 ARG QD . . 3.310 2.209 2.032 2.579 . 0 0 "[ . 1 . 2]" 1
88 1 34 ARG QB 1 35 VAL H . . 3.880 3.171 2.512 3.880 . 5 0 "[ . 1 . 2]" 1
89 1 34 ARG HB2 1 35 VAL H . . 4.570 3.983 2.819 4.569 . 0 0 "[ . 1 . 2]" 1
90 1 34 ARG HB3 1 35 VAL H . . 4.570 3.496 2.555 4.518 . 0 0 "[ . 1 . 2]" 1
91 1 34 ARG HG2 1 35 VAL H . . 5.500 4.526 3.243 5.620 0.120 12 0 "[ . 1 . 2]" 1
92 1 34 ARG HG3 1 35 VAL H . . 5.500 4.463 1.962 5.485 . 0 0 "[ . 1 . 2]" 1
93 1 35 VAL H 1 35 VAL HB . . 3.700 3.202 2.438 3.700 0.000 5 0 "[ . 1 . 2]" 1
94 1 35 VAL H 1 35 VAL MG1 . . 4.160 2.488 1.870 3.840 . 0 0 "[ . 1 . 2]" 1
95 1 35 VAL H 1 35 VAL QG . . 3.360 2.030 1.809 2.431 . 0 0 "[ . 1 . 2]" 1
96 1 35 VAL H 1 35 VAL MG2 . . 4.160 2.967 1.836 3.977 . 0 0 "[ . 1 . 2]" 1
97 1 35 VAL HA 1 35 VAL MG1 . . 3.300 2.740 2.014 3.203 . 0 0 "[ . 1 . 2]" 1
98 1 35 VAL HA 1 35 VAL MG2 . . 3.300 2.661 2.275 3.199 . 0 0 "[ . 1 . 2]" 1
99 1 36 HIS HA 1 36 HIS HD2 . . 4.920 3.580 2.194 4.709 . 0 0 "[ . 1 . 2]" 1
100 1 36 HIS QB 1 36 HIS HD2 . . 3.460 2.851 2.633 3.239 . 0 0 "[ . 1 . 2]" 1
101 1 36 HIS HB2 1 36 HIS HD2 . . 3.940 3.297 2.693 3.937 . 0 0 "[ . 1 . 2]" 1
102 1 36 HIS HB3 1 36 HIS HD2 . . 3.940 3.509 2.705 3.934 . 0 0 "[ . 1 . 2]" 1
103 1 38 GLU HA 1 38 GLU QG . . 3.690 2.797 2.175 3.441 . 0 0 "[ . 1 . 2]" 1
104 1 39 SER HB2 1 40 ASP H . . 5.500 3.629 2.519 4.532 . 0 0 "[ . 1 . 2]" 1
105 1 39 SER HB3 1 40 ASP H . . 5.500 3.588 2.238 4.588 . 0 0 "[ . 1 . 2]" 1
106 1 40 ASP H 1 41 THR H . . 4.530 4.080 2.741 4.530 . 5 0 "[ . 1 . 2]" 1
107 1 40 ASP QB 1 41 THR H . . 4.350 3.358 2.175 4.022 . 0 0 "[ . 1 . 2]" 1
108 1 40 ASP HB2 1 41 THR H . . 5.120 3.967 2.484 4.634 . 0 0 "[ . 1 . 2]" 1
109 1 40 ASP HB3 1 41 THR H . . 5.120 3.783 2.224 4.523 . 0 0 "[ . 1 . 2]" 1
110 1 41 THR H 1 41 THR HB . . 3.930 3.186 2.498 3.933 0.003 10 0 "[ . 1 . 2]" 1
111 1 41 THR H 1 41 THR MG . . 4.030 3.282 2.177 3.944 . 0 0 "[ . 1 . 2]" 1
112 1 41 THR H 1 42 GLU H . . 4.150 3.810 2.784 4.150 . 0 0 "[ . 1 . 2]" 1
113 1 41 THR HA 1 41 THR MG . . 3.390 2.392 2.143 3.199 . 0 0 "[ . 1 . 2]" 1
114 1 41 THR HA 1 42 GLU H . . 3.450 2.357 2.147 3.438 . 0 0 "[ . 1 . 2]" 1
115 1 41 THR HB 1 42 GLU H . . 5.080 4.154 3.666 4.464 . 0 0 "[ . 1 . 2]" 1
116 1 41 THR MG 1 42 GLU H . . 4.640 3.619 2.260 4.361 . 0 0 "[ . 1 . 2]" 1
117 1 42 GLU H 1 42 GLU HB2 . . 3.980 2.847 2.192 3.686 . 0 0 "[ . 1 . 2]" 1
118 1 42 GLU H 1 42 GLU QB . . 3.310 2.414 2.144 2.763 . 0 0 "[ . 1 . 2]" 1
119 1 42 GLU H 1 42 GLU HB3 . . 3.980 2.949 2.373 3.802 . 0 0 "[ . 1 . 2]" 1
120 1 42 GLU H 1 42 GLU HG2 . . 4.690 3.785 2.018 4.594 . 0 0 "[ . 1 . 2]" 1
121 1 42 GLU H 1 42 GLU QG . . 3.980 3.247 1.924 3.984 0.004 5 0 "[ . 1 . 2]" 1
122 1 42 GLU H 1 42 GLU HG3 . . 4.690 3.756 2.180 4.578 . 0 0 "[ . 1 . 2]" 1
123 1 42 GLU HA 1 43 GLU H . . 3.160 2.332 2.145 3.024 . 0 0 "[ . 1 . 2]" 1
124 1 42 GLU QB 1 43 GLU H . . 4.250 3.569 2.485 4.005 . 0 0 "[ . 1 . 2]" 1
125 1 43 GLU H 1 43 GLU QB . . 3.080 2.426 2.135 2.924 . 0 0 "[ . 1 . 2]" 1
126 1 43 GLU H 1 43 GLU HG2 . . 4.370 3.313 2.048 4.368 . 0 0 "[ . 1 . 2]" 1
127 1 43 GLU H 1 43 GLU QG . . 3.770 2.834 2.032 3.732 . 0 0 "[ . 1 . 2]" 1
128 1 43 GLU H 1 43 GLU HG3 . . 4.370 3.499 2.276 4.376 0.006 6 0 "[ . 1 . 2]" 1
129 1 43 GLU HA 1 46 PHE HB3 . . 3.590 2.231 1.987 3.615 0.025 16 0 "[ . 1 . 2]" 1
130 1 43 GLU HA 1 46 PHE QD . . 4.470 2.783 2.000 4.475 0.005 16 0 "[ . 1 . 2]" 1
131 1 43 GLU HA 1 47 LEU HB2 . . 4.500 4.059 3.497 4.505 0.005 16 0 "[ . 1 . 2]" 1
132 1 43 GLU HA 1 47 LEU MD1 . . 3.810 3.579 3.016 3.827 0.017 16 0 "[ . 1 . 2]" 1
133 1 43 GLU HA 1 47 LEU HG . . 4.150 3.828 3.356 4.168 0.018 20 0 "[ . 1 . 2]" 1
134 1 43 GLU QB 1 44 ARG H . . 4.210 2.884 2.025 4.047 . 0 0 "[ . 1 . 2]" 1
135 1 43 GLU QB 1 46 PHE HB3 . . 4.270 3.839 2.866 4.270 . 0 0 "[ . 1 . 2]" 1
136 1 43 GLU QB 1 46 PHE QD . . 4.700 3.557 2.732 4.142 . 0 0 "[ . 1 . 2]" 1
137 1 43 GLU QB 1 47 LEU HB3 . . 5.340 4.631 3.538 5.299 . 0 0 "[ . 1 . 2]" 1
138 1 43 GLU HB2 1 44 ARG H . . 4.850 3.246 2.045 4.509 . 0 0 "[ . 1 . 2]" 1
139 1 43 GLU HB2 1 46 PHE HB3 . . 5.110 4.370 2.929 5.095 . 0 0 "[ . 1 . 2]" 1
140 1 43 GLU HB2 1 46 PHE QD . . 5.500 4.261 2.794 5.502 0.002 1 0 "[ . 1 . 2]" 1
141 1 43 GLU HB3 1 44 ARG H . . 4.850 3.553 2.597 4.579 . 0 0 "[ . 1 . 2]" 1
142 1 43 GLU HB3 1 46 PHE HB3 . . 5.110 4.471 3.937 5.073 . 0 0 "[ . 1 . 2]" 1
143 1 43 GLU HB3 1 46 PHE QD . . 5.500 4.187 3.579 5.056 . 0 0 "[ . 1 . 2]" 1
144 1 43 GLU QG 1 44 ARG H . . 4.590 3.444 1.803 4.509 . 0 0 "[ . 1 . 2]" 1
145 1 43 GLU QG 1 46 PHE HB3 . . 4.590 4.269 3.592 4.635 0.045 20 0 "[ . 1 . 2]" 1
146 1 43 GLU QG 1 47 LEU MD1 . . 3.870 2.818 1.848 3.705 . 0 0 "[ . 1 . 2]" 1
147 1 43 GLU HG2 1 44 ARG H . . 5.280 3.849 1.945 5.186 . 0 0 "[ . 1 . 2]" 1
148 1 43 GLU HG2 1 47 LEU MD1 . . 4.520 3.396 1.959 4.509 . 0 0 "[ . 1 . 2]" 1
149 1 43 GLU HG3 1 44 ARG H . . 5.280 4.105 2.119 5.069 . 0 0 "[ . 1 . 2]" 1
150 1 43 GLU HG3 1 47 LEU MD1 . . 4.520 3.301 2.115 4.519 . 0 0 "[ . 1 . 2]" 1
151 1 44 ARG H 1 44 ARG QB . . 3.530 2.524 2.243 3.216 . 0 0 "[ . 1 . 2]" 1
152 1 44 ARG H 1 44 ARG QD . . 5.320 3.837 1.893 5.021 . 0 0 "[ . 1 . 2]" 1
153 1 44 ARG H 1 44 ARG HG2 . . 4.080 2.726 1.942 4.077 . 0 0 "[ . 1 . 2]" 1
154 1 44 ARG H 1 44 ARG HG3 . . 4.080 3.238 2.286 4.082 0.002 18 0 "[ . 1 . 2]" 1
155 1 44 ARG H 1 45 GLY H . . 4.960 3.603 2.667 4.501 . 0 0 "[ . 1 . 2]" 1
156 1 44 ARG HA 1 44 ARG HD2 . . 5.410 4.097 2.034 5.419 0.009 8 0 "[ . 1 . 2]" 1
157 1 44 ARG HA 1 44 ARG QD . . 4.630 3.408 2.021 4.509 . 0 0 "[ . 1 . 2]" 1
158 1 44 ARG HA 1 44 ARG HD3 . . 5.410 3.920 2.187 5.359 . 0 0 "[ . 1 . 2]" 1
159 1 44 ARG QB 1 44 ARG QD . . 3.290 2.227 2.029 2.634 . 0 0 "[ . 1 . 2]" 1
160 1 44 ARG QB 1 45 GLY QA . . 4.760 3.860 3.493 4.333 . 0 0 "[ . 1 . 2]" 1
161 1 44 ARG HB2 1 45 GLY H . . 5.500 3.586 2.254 4.565 . 0 0 "[ . 1 . 2]" 1
162 1 44 ARG HB3 1 45 GLY H . . 5.500 3.828 3.153 4.655 . 0 0 "[ . 1 . 2]" 1
163 1 45 GLY H 1 46 PHE H . . 5.120 2.755 2.140 3.276 . 0 0 "[ . 1 . 2]" 1
164 1 45 GLY QA 1 48 GLU QB . . 3.440 2.487 1.937 2.980 . 0 0 "[ . 1 . 2]" 1
165 1 46 PHE H 1 46 PHE HB2 . . 3.880 2.794 2.580 3.092 . 0 0 "[ . 1 . 2]" 1
166 1 46 PHE H 1 46 PHE HB3 . . 4.030 2.344 2.229 2.577 . 0 0 "[ . 1 . 2]" 1
167 1 46 PHE H 1 47 LEU H . . 4.000 2.995 2.520 3.346 . 0 0 "[ . 1 . 2]" 1
168 1 46 PHE HA 1 46 PHE QD . . 4.100 2.918 2.549 3.172 . 0 0 "[ . 1 . 2]" 1
169 1 46 PHE HA 1 46 PHE QE . . 5.150 4.842 4.716 4.926 . 0 0 "[ . 1 . 2]" 1
170 1 46 PHE HA 1 49 LYS H . . 4.440 4.127 3.694 4.437 . 0 0 "[ . 1 . 2]" 1
171 1 46 PHE HA 1 49 LYS HB2 . . 4.390 3.946 3.231 4.376 . 0 0 "[ . 1 . 2]" 1
172 1 46 PHE HA 1 49 LYS QB . . 3.750 3.365 2.929 3.739 . 0 0 "[ . 1 . 2]" 1
173 1 46 PHE HA 1 49 LYS HB3 . . 4.390 3.698 2.987 4.088 . 0 0 "[ . 1 . 2]" 1
174 1 46 PHE HA 1 50 ALA H . . 5.480 4.553 4.006 4.999 . 0 0 "[ . 1 . 2]" 1
175 1 46 PHE HB3 1 47 LEU H . . 3.710 2.348 2.095 2.549 . 0 0 "[ . 1 . 2]" 1
176 1 46 PHE HB3 1 47 LEU HA . . 4.830 4.566 4.407 4.722 . 0 0 "[ . 1 . 2]" 1
177 1 46 PHE HB3 1 47 LEU HB2 . . 4.440 4.344 4.087 4.439 . 0 0 "[ . 1 . 2]" 1
178 1 46 PHE HB3 1 47 LEU MD1 . . 5.300 4.649 4.379 4.870 . 0 0 "[ . 1 . 2]" 1
179 1 46 PHE HB3 1 47 LEU MD2 . . 5.500 5.293 4.700 5.423 . 0 0 "[ . 1 . 2]" 1
180 1 46 PHE HB3 1 47 LEU HG . . 4.480 4.091 3.748 4.210 . 0 0 "[ . 1 . 2]" 1
181 1 46 PHE HB3 1 48 GLU H . . 5.140 4.908 4.591 5.141 0.001 1 0 "[ . 1 . 2]" 1
182 1 46 PHE QD 1 47 LEU H . . 4.680 2.346 1.989 2.821 . 0 0 "[ . 1 . 2]" 1
183 1 46 PHE QD 1 47 LEU HA . . 4.420 3.162 2.604 3.934 . 0 0 "[ . 1 . 2]" 1
184 1 46 PHE QD 1 47 LEU HB2 . . 4.530 3.526 3.361 3.832 . 0 0 "[ . 1 . 2]" 1
185 1 46 PHE QD 1 47 LEU HB3 . . 4.870 4.465 4.185 4.870 . 0 0 "[ . 1 . 2]" 1
186 1 46 PHE QD 1 47 LEU MD1 . . 4.380 3.358 2.954 3.703 . 0 0 "[ . 1 . 2]" 1
187 1 46 PHE QD 1 47 LEU MD2 . . 3.810 3.491 2.629 3.803 . 0 0 "[ . 1 . 2]" 1
188 1 46 PHE QD 1 47 LEU HG . . 4.390 2.079 1.988 2.367 . 0 0 "[ . 1 . 2]" 1
189 1 46 PHE QD 1 50 ALA MB . . 4.670 4.391 3.797 4.671 0.001 5 0 "[ . 1 . 2]" 1
190 1 46 PHE QE 1 47 LEU HB2 . . 5.210 5.049 4.677 5.225 0.015 20 0 "[ . 1 . 2]" 1
191 1 46 PHE QE 1 47 LEU MD2 . . 4.290 2.844 2.113 3.212 . 0 0 "[ . 1 . 2]" 1
192 1 46 PHE QE 1 50 ALA MB . . 4.740 4.177 3.524 4.636 . 0 0 "[ . 1 . 2]" 1
193 1 47 LEU H 1 47 LEU HB2 . . 3.430 2.214 2.161 2.342 . 0 0 "[ . 1 . 2]" 1
194 1 47 LEU H 1 47 LEU HB3 . . 3.720 3.510 3.478 3.564 . 0 0 "[ . 1 . 2]" 1
195 1 47 LEU H 1 47 LEU MD1 . . 4.060 3.548 3.329 3.782 . 0 0 "[ . 1 . 2]" 1
196 1 47 LEU H 1 47 LEU MD2 . . 4.110 3.974 3.548 4.104 . 0 0 "[ . 1 . 2]" 1
197 1 47 LEU H 1 47 LEU HG . . 3.480 2.869 2.536 3.057 . 0 0 "[ . 1 . 2]" 1
198 1 47 LEU H 1 49 LYS H . . 4.590 4.507 4.124 4.592 0.002 15 0 "[ . 1 . 2]" 1
199 1 47 LEU HA 1 47 LEU MD1 . . 3.920 3.822 3.803 3.844 . 0 0 "[ . 1 . 2]" 1
200 1 47 LEU HA 1 47 LEU MD2 . . 2.910 2.235 1.969 2.442 . 0 0 "[ . 1 . 2]" 1
201 1 47 LEU HA 1 47 LEU HG . . 3.830 2.648 2.535 2.912 . 0 0 "[ . 1 . 2]" 1
202 1 47 LEU HA 1 50 ALA H . . 4.070 3.489 3.261 3.760 . 0 0 "[ . 1 . 2]" 1
203 1 47 LEU HA 1 50 ALA MB . . 3.420 2.576 2.226 3.082 . 0 0 "[ . 1 . 2]" 1
204 1 47 LEU HA 1 51 ALA H . . 4.850 4.194 3.638 4.530 . 0 0 "[ . 1 . 2]" 1
205 1 47 LEU HB2 1 47 LEU MD1 . . 2.920 2.208 2.038 2.301 . 0 0 "[ . 1 . 2]" 1
206 1 47 LEU HB2 1 47 LEU MD2 . . 3.470 3.167 3.142 3.193 . 0 0 "[ . 1 . 2]" 1
207 1 47 LEU HB2 1 48 GLU H . . 4.410 2.582 2.360 2.774 . 0 0 "[ . 1 . 2]" 1
208 1 47 LEU HB3 1 47 LEU MD1 . . 3.070 2.477 2.325 2.601 . 0 0 "[ . 1 . 2]" 1
209 1 47 LEU HB3 1 47 LEU MD2 . . 3.180 2.232 2.108 2.340 . 0 0 "[ . 1 . 2]" 1
210 1 47 LEU HB3 1 48 GLU H . . 4.610 3.072 2.838 3.389 . 0 0 "[ . 1 . 2]" 1
211 1 47 LEU HB3 1 48 GLU QB . . 5.340 4.664 4.473 5.140 . 0 0 "[ . 1 . 2]" 1
212 1 47 LEU MD1 1 48 GLU H . . 5.500 4.349 4.140 4.605 . 0 0 "[ . 1 . 2]" 1
213 1 47 LEU MD2 1 50 ALA H . . 5.440 4.949 4.496 5.164 . 0 0 "[ . 1 . 2]" 1
214 1 47 LEU MD2 1 50 ALA MB . . 3.530 3.233 2.826 3.531 0.001 5 0 "[ . 1 . 2]" 1
215 1 47 LEU MD2 1 51 ALA H . . 5.500 4.558 4.094 5.013 . 0 0 "[ . 1 . 2]" 1
216 1 48 GLU H 1 48 GLU HB2 . . 4.060 2.306 2.178 2.684 . 0 0 "[ . 1 . 2]" 1
217 1 48 GLU H 1 48 GLU QB . . 3.360 2.199 2.126 2.264 . 0 0 "[ . 1 . 2]" 1
218 1 48 GLU H 1 48 GLU HB3 . . 4.060 2.948 2.376 3.553 . 0 0 "[ . 1 . 2]" 1
219 1 48 GLU H 1 48 GLU HG2 . . 4.840 4.429 3.837 4.647 . 0 0 "[ . 1 . 2]" 1
220 1 48 GLU H 1 48 GLU QG . . 4.100 3.800 2.670 4.051 . 0 0 "[ . 1 . 2]" 1
221 1 48 GLU H 1 48 GLU HG3 . . 4.840 4.172 2.714 4.572 . 0 0 "[ . 1 . 2]" 1
222 1 48 GLU H 1 49 LYS H . . 3.540 3.023 2.640 3.156 . 0 0 "[ . 1 . 2]" 1
223 1 48 GLU H 1 50 ALA H . . 4.640 4.260 3.998 4.597 . 0 0 "[ . 1 . 2]" 1
224 1 48 GLU HA 1 48 GLU HG2 . . 3.940 3.225 2.339 3.793 . 0 0 "[ . 1 . 2]" 1
225 1 48 GLU HA 1 48 GLU QG . . 3.340 2.376 2.201 2.692 . 0 0 "[ . 1 . 2]" 1
226 1 48 GLU HA 1 48 GLU HG3 . . 3.940 2.527 2.223 3.605 . 0 0 "[ . 1 . 2]" 1
227 1 48 GLU HA 1 51 ALA H . . 4.120 3.726 3.114 4.033 . 0 0 "[ . 1 . 2]" 1
228 1 48 GLU HA 1 51 ALA MB . . 3.270 2.982 2.221 3.251 . 0 0 "[ . 1 . 2]" 1
229 1 48 GLU HA 1 52 VAL H . . 4.770 4.150 3.256 4.773 0.003 7 0 "[ . 1 . 2]" 1
230 1 48 GLU HA 1 52 VAL MG2 . . 4.740 3.826 3.120 4.375 . 0 0 "[ . 1 . 2]" 1
231 1 48 GLU QB 1 49 LYS H . . 3.580 2.265 2.031 2.711 . 0 0 "[ . 1 . 2]" 1
232 1 48 GLU QB 1 86 PHE QE . . 4.880 3.492 2.372 4.881 0.001 7 0 "[ . 1 . 2]" 1
233 1 48 GLU HB2 1 52 VAL MG2 . . 5.500 4.989 3.989 5.493 . 0 0 "[ . 1 . 2]" 1
234 1 48 GLU HB3 1 52 VAL MG2 . . 5.500 4.164 2.490 5.081 . 0 0 "[ . 1 . 2]" 1
235 1 48 GLU QG 1 49 LYS H . . 4.720 3.752 3.257 4.386 . 0 0 "[ . 1 . 2]" 1
236 1 48 GLU QG 1 78 TYR QE . . 4.140 2.682 1.927 3.994 . 0 0 "[ . 1 . 2]" 1
237 1 48 GLU QG 1 86 PHE HZ . . 4.570 3.300 2.602 4.274 . 0 0 "[ . 1 . 2]" 1
238 1 48 GLU HG2 1 52 VAL MG2 . . 4.520 3.480 2.196 4.519 . 0 0 "[ . 1 . 2]" 1
239 1 48 GLU HG2 1 78 TYR QE . . 4.820 3.200 2.000 4.719 . 0 0 "[ . 1 . 2]" 1
240 1 48 GLU HG3 1 52 VAL MG2 . . 4.520 3.627 3.003 4.327 . 0 0 "[ . 1 . 2]" 1
241 1 48 GLU HG3 1 78 TYR QE . . 4.820 3.050 2.000 4.311 . 0 0 "[ . 1 . 2]" 1
242 1 49 LYS H 1 49 LYS HB2 . . 3.470 2.284 2.147 2.766 . 0 0 "[ . 1 . 2]" 1
243 1 49 LYS H 1 49 LYS QB . . 3.000 2.173 2.110 2.232 . 0 0 "[ . 1 . 2]" 1
244 1 49 LYS H 1 49 LYS HB3 . . 3.470 2.833 2.356 3.120 . 0 0 "[ . 1 . 2]" 1
245 1 49 LYS H 1 49 LYS HD2 . . 5.500 4.650 4.083 5.010 . 0 0 "[ . 1 . 2]" 1
246 1 49 LYS H 1 49 LYS HD3 . . 5.500 5.165 4.636 5.598 0.098 5 0 "[ . 1 . 2]" 1
247 1 49 LYS H 1 49 LYS HG2 . . 4.800 4.579 4.465 4.653 . 0 0 "[ . 1 . 2]" 1
248 1 49 LYS H 1 49 LYS HG3 . . 4.800 4.221 3.997 4.659 . 0 0 "[ . 1 . 2]" 1
249 1 49 LYS H 1 50 ALA MB . . 5.240 4.405 4.038 4.705 . 0 0 "[ . 1 . 2]" 1
250 1 49 LYS H 1 52 VAL MG2 . . 5.210 4.426 4.011 4.909 . 0 0 "[ . 1 . 2]" 1
251 1 49 LYS H 1 86 PHE QD . . 5.290 4.261 3.127 5.098 . 0 0 "[ . 1 . 2]" 1
252 1 49 LYS HA 1 49 LYS HG2 . . 3.950 3.043 2.552 3.222 . 0 0 "[ . 1 . 2]" 1
253 1 49 LYS HA 1 49 LYS HG3 . . 3.950 2.396 2.146 3.621 . 0 0 "[ . 1 . 2]" 1
254 1 49 LYS HA 1 52 VAL H . . 4.240 3.926 3.407 4.240 0.000 9 0 "[ . 1 . 2]" 1
255 1 49 LYS HA 1 52 VAL HB . . 3.860 3.069 2.707 3.350 . 0 0 "[ . 1 . 2]" 1
256 1 49 LYS HA 1 52 VAL MG1 . . 4.800 4.316 3.919 4.589 . 0 0 "[ . 1 . 2]" 1
257 1 49 LYS HA 1 52 VAL MG2 . . 4.070 3.096 2.371 3.554 . 0 0 "[ . 1 . 2]" 1
258 1 49 LYS HA 1 53 LYS H . . 4.830 4.005 3.719 4.510 . 0 0 "[ . 1 . 2]" 1
259 1 49 LYS HA 1 86 PHE HA . . 4.250 3.881 3.072 4.253 0.003 7 0 "[ . 1 . 2]" 1
260 1 49 LYS HA 1 86 PHE QD . . 4.190 2.895 2.052 3.454 . 0 0 "[ . 1 . 2]" 1
261 1 49 LYS HA 1 86 PHE QE . . 4.880 4.043 3.802 4.440 . 0 0 "[ . 1 . 2]" 1
262 1 49 LYS QB 1 50 ALA H . . 3.440 2.530 2.195 2.834 . 0 0 "[ . 1 . 2]" 1
263 1 49 LYS QB 1 52 VAL MG2 . . 5.340 4.739 4.121 4.988 . 0 0 "[ . 1 . 2]" 1
264 1 49 LYS QB 1 86 PHE QD . . 3.910 2.961 2.483 3.311 . 0 0 "[ . 1 . 2]" 1
265 1 49 LYS QB 1 86 PHE QE . . 5.340 3.530 2.906 3.924 . 0 0 "[ . 1 . 2]" 1
266 1 49 LYS HB2 1 50 ALA H . . 3.930 3.662 3.417 3.939 0.009 7 0 "[ . 1 . 2]" 1
267 1 49 LYS HB2 1 86 PHE QD . . 4.590 3.018 2.509 3.418 . 0 0 "[ . 1 . 2]" 1
268 1 49 LYS HB3 1 50 ALA H . . 3.930 2.581 2.218 2.921 . 0 0 "[ . 1 . 2]" 1
269 1 49 LYS HB3 1 86 PHE QD . . 4.590 4.323 3.894 4.542 . 0 0 "[ . 1 . 2]" 1
270 1 49 LYS QD 1 86 PHE HA . . 4.080 3.388 2.422 3.907 . 0 0 "[ . 1 . 2]" 1
271 1 49 LYS QD 1 86 PHE QD . . 4.090 3.147 2.319 3.995 . 0 0 "[ . 1 . 2]" 1
272 1 49 LYS HD2 1 86 PHE HA . . 4.810 3.787 2.443 4.804 . 0 0 "[ . 1 . 2]" 1
273 1 49 LYS HD2 1 86 PHE QD . . 4.840 3.357 2.336 4.696 . 0 0 "[ . 1 . 2]" 1
274 1 49 LYS HD3 1 86 PHE HA . . 4.810 4.273 3.059 4.802 . 0 0 "[ . 1 . 2]" 1
275 1 49 LYS HD3 1 86 PHE QD . . 4.840 4.262 3.644 4.832 . 0 0 "[ . 1 . 2]" 1
276 1 49 LYS QE 1 49 LYS QG . . 3.290 2.232 2.089 2.475 . 0 0 "[ . 1 . 2]" 1
277 1 49 LYS QE 1 86 PHE HA . . 4.030 2.646 1.996 4.043 0.013 7 0 "[ . 1 . 2]" 1
278 1 49 LYS HE2 1 86 PHE HA . . 4.810 3.234 2.005 4.600 . 0 0 "[ . 1 . 2]" 1
279 1 49 LYS HE3 1 86 PHE HA . . 4.810 3.418 2.125 4.816 0.006 7 0 "[ . 1 . 2]" 1
280 1 49 LYS QG 1 50 ALA H . . 4.360 3.970 3.635 4.208 . 0 0 "[ . 1 . 2]" 1
281 1 49 LYS QG 1 50 ALA HA . . 4.520 4.207 3.759 4.503 . 0 0 "[ . 1 . 2]" 1
282 1 49 LYS QG 1 86 PHE HA . . 3.630 2.233 1.784 2.575 . 0 0 "[ . 1 . 2]" 1
283 1 49 LYS QG 1 86 PHE HB2 . . 5.200 4.085 3.446 4.553 . 0 0 "[ . 1 . 2]" 1
284 1 49 LYS HG2 1 86 PHE HA . . 4.140 3.642 2.006 4.099 . 0 0 "[ . 1 . 2]" 1
285 1 49 LYS HG2 1 86 PHE QD . . 4.450 3.822 2.630 4.251 . 0 0 "[ . 1 . 2]" 1
286 1 49 LYS HG3 1 86 PHE HA . . 4.140 2.263 1.998 2.603 . 0 0 "[ . 1 . 2]" 1
287 1 49 LYS HG3 1 86 PHE QD . . 4.450 2.197 1.996 2.573 . 0 0 "[ . 1 . 2]" 1
288 1 50 ALA H 1 50 ALA MB . . 2.900 2.123 2.023 2.253 . 0 0 "[ . 1 . 2]" 1
289 1 50 ALA H 1 51 ALA MB . . 5.150 4.418 4.165 4.594 . 0 0 "[ . 1 . 2]" 1
290 1 50 ALA HA 1 52 VAL H . . 5.500 4.938 4.589 5.197 . 0 0 "[ . 1 . 2]" 1
291 1 50 ALA HA 1 53 LYS H . . 4.000 3.864 3.512 4.000 . 0 0 "[ . 1 . 2]" 1
292 1 50 ALA HA 1 53 LYS HB2 . . 3.510 2.863 2.612 3.136 . 0 0 "[ . 1 . 2]" 1
293 1 50 ALA HA 1 54 LYS H . . 4.530 4.039 3.725 4.527 . 0 0 "[ . 1 . 2]" 1
294 1 50 ALA MB 1 51 ALA H . . 3.230 2.313 1.935 2.649 . 0 0 "[ . 1 . 2]" 1
295 1 50 ALA MB 1 52 VAL H . . 5.240 4.689 4.466 4.874 . 0 0 "[ . 1 . 2]" 1
296 1 50 ALA MB 1 53 LYS H . . 5.010 4.840 4.541 4.989 . 0 0 "[ . 1 . 2]" 1
297 1 50 ALA MB 1 54 LYS H . . 5.500 4.552 4.310 4.866 . 0 0 "[ . 1 . 2]" 1
298 1 51 ALA H 1 51 ALA MB . . 2.940 2.164 2.029 2.251 . 0 0 "[ . 1 . 2]" 1
299 1 51 ALA H 1 52 VAL H . . 3.270 2.994 2.780 3.235 . 0 0 "[ . 1 . 2]" 1
300 1 51 ALA H 1 52 VAL MG2 . . 4.650 4.296 4.095 4.537 . 0 0 "[ . 1 . 2]" 1
301 1 51 ALA H 1 53 LYS H . . 4.970 4.424 4.159 4.737 . 0 0 "[ . 1 . 2]" 1
302 1 51 ALA H 1 53 LYS HB2 . . 5.440 5.131 4.952 5.364 . 0 0 "[ . 1 . 2]" 1
303 1 51 ALA H 1 54 LYS QB . . 5.000 4.651 4.427 4.993 . 0 0 "[ . 1 . 2]" 1
304 1 51 ALA HA 1 53 LYS H . . 4.890 4.674 4.343 4.890 . 0 0 "[ . 1 . 2]" 1
305 1 51 ALA HA 1 54 LYS H . . 3.880 3.613 3.357 3.872 . 0 0 "[ . 1 . 2]" 1
306 1 51 ALA HA 1 54 LYS QB . . 3.330 2.557 2.352 2.809 . 0 0 "[ . 1 . 2]" 1
307 1 51 ALA MB 1 52 VAL H . . 3.230 2.262 1.987 2.513 . 0 0 "[ . 1 . 2]" 1
308 1 51 ALA MB 1 52 VAL HA . . 4.420 3.691 3.556 3.779 . 0 0 "[ . 1 . 2]" 1
309 1 51 ALA MB 1 52 VAL MG2 . . 3.720 3.063 2.804 3.327 . 0 0 "[ . 1 . 2]" 1
310 1 51 ALA MB 1 53 LYS H . . 4.690 4.525 4.313 4.689 . 0 0 "[ . 1 . 2]" 1
311 1 51 ALA MB 1 54 LYS QB . . 4.540 3.908 3.769 4.104 . 0 0 "[ . 1 . 2]" 1
312 1 51 ALA MB 1 55 MET ME . . 4.630 4.380 3.748 4.630 0.000 3 0 "[ . 1 . 2]" 1
313 1 51 ALA MB 1 55 MET HG2 . . 4.760 4.190 3.703 4.764 0.004 7 0 "[ . 1 . 2]" 1
314 1 51 ALA MB 1 55 MET QG . . 4.000 3.532 2.978 3.844 . 0 0 "[ . 1 . 2]" 1
315 1 51 ALA MB 1 55 MET HG3 . . 4.760 3.855 3.131 4.378 . 0 0 "[ . 1 . 2]" 1
316 1 52 VAL H 1 52 VAL HB . . 3.190 2.670 2.563 2.793 . 0 0 "[ . 1 . 2]" 1
317 1 52 VAL H 1 52 VAL MG1 . . 3.820 3.764 3.742 3.774 . 0 0 "[ . 1 . 2]" 1
318 1 52 VAL H 1 52 VAL MG2 . . 3.180 1.977 1.875 2.125 . 0 0 "[ . 1 . 2]" 1
319 1 52 VAL H 1 53 LYS H . . 3.510 2.972 2.774 3.126 . 0 0 "[ . 1 . 2]" 1
320 1 52 VAL H 1 53 LYS HB2 . . 5.090 4.860 4.659 5.005 . 0 0 "[ . 1 . 2]" 1
321 1 52 VAL H 1 54 LYS QB . . 5.200 4.841 4.581 4.990 . 0 0 "[ . 1 . 2]" 1
322 1 52 VAL HA 1 52 VAL MG1 . . 3.350 2.365 2.260 2.460 . 0 0 "[ . 1 . 2]" 1
323 1 52 VAL HA 1 52 VAL MG2 . . 3.250 2.381 2.301 2.452 . 0 0 "[ . 1 . 2]" 1
324 1 52 VAL HA 1 55 MET H . . 4.330 3.794 3.302 4.157 . 0 0 "[ . 1 . 2]" 1
325 1 52 VAL HA 1 55 MET HB2 . . 4.050 3.322 2.878 3.761 . 0 0 "[ . 1 . 2]" 1
326 1 52 VAL HA 1 55 MET HB3 . . 5.300 4.849 4.310 5.302 0.002 10 0 "[ . 1 . 2]" 1
327 1 52 VAL HA 1 55 MET ME . . 4.900 4.534 3.279 4.886 . 0 0 "[ . 1 . 2]" 1
328 1 52 VAL HA 1 55 MET HG2 . . 4.830 4.299 3.895 4.832 0.002 7 0 "[ . 1 . 2]" 1
329 1 52 VAL HA 1 55 MET QG . . 4.250 3.044 2.233 3.556 . 0 0 "[ . 1 . 2]" 1
330 1 52 VAL HA 1 55 MET HG3 . . 4.830 3.137 2.245 3.713 . 0 0 "[ . 1 . 2]" 1
331 1 52 VAL HA 1 73 TRP HD1 . . 5.250 4.279 3.908 4.689 . 0 0 "[ . 1 . 2]" 1
332 1 52 VAL HA 1 73 TRP HE1 . . 3.890 2.117 1.902 2.356 . 0 0 "[ . 1 . 2]" 1
333 1 52 VAL HA 1 73 TRP HZ2 . . 3.950 3.252 2.776 3.593 . 0 0 "[ . 1 . 2]" 1
334 1 52 VAL HB 1 53 LYS H . . 3.540 2.346 2.179 2.554 . 0 0 "[ . 1 . 2]" 1
335 1 52 VAL MG1 1 53 LYS H . . 3.940 3.323 3.036 3.509 . 0 0 "[ . 1 . 2]" 1
336 1 52 VAL MG1 1 53 LYS HA . . 4.390 3.498 3.207 3.778 . 0 0 "[ . 1 . 2]" 1
337 1 52 VAL MG1 1 73 TRP HE1 . . 4.250 2.963 2.511 3.603 . 0 0 "[ . 1 . 2]" 1
338 1 52 VAL MG1 1 73 TRP HH2 . . 4.610 4.118 3.691 4.445 . 0 0 "[ . 1 . 2]" 1
339 1 52 VAL MG1 1 73 TRP HZ2 . . 3.720 2.786 2.279 3.280 . 0 0 "[ . 1 . 2]" 1
340 1 52 VAL MG1 1 83 MET HA . . 4.680 3.210 2.601 3.690 . 0 0 "[ . 1 . 2]" 1
341 1 52 VAL MG1 1 83 MET ME . . 3.110 2.686 2.234 2.986 . 0 0 "[ . 1 . 2]" 1
342 1 52 VAL MG1 1 86 PHE HB2 . . 3.780 2.334 1.986 2.841 . 0 0 "[ . 1 . 2]" 1
343 1 52 VAL MG1 1 86 PHE HB3 . . 3.820 2.661 2.179 3.254 . 0 0 "[ . 1 . 2]" 1
344 1 52 VAL MG1 1 86 PHE QD . . 3.840 2.834 2.135 3.310 . 0 0 "[ . 1 . 2]" 1
345 1 52 VAL MG1 1 87 LEU H . . 4.740 3.680 3.187 4.360 . 0 0 "[ . 1 . 2]" 1
346 1 52 VAL MG1 1 87 LEU HA . . 4.930 4.144 3.582 4.866 . 0 0 "[ . 1 . 2]" 1
347 1 52 VAL MG1 1 87 LEU MD1 . . 3.590 3.224 2.676 3.591 0.001 3 0 "[ . 1 . 2]" 1
348 1 52 VAL MG1 1 87 LEU HG . . 4.120 2.570 2.109 2.984 . 0 0 "[ . 1 . 2]" 1
349 1 52 VAL MG2 1 53 LYS H . . 4.250 3.693 3.567 3.782 . 0 0 "[ . 1 . 2]" 1
350 1 52 VAL MG2 1 53 LYS HB2 . . 5.500 5.470 5.350 5.501 0.001 6 0 "[ . 1 . 2]" 1
351 1 52 VAL MG2 1 73 TRP HD1 . . 4.600 3.693 3.183 4.163 . 0 0 "[ . 1 . 2]" 1
352 1 52 VAL MG2 1 73 TRP HE1 . . 3.970 3.104 2.484 3.703 . 0 0 "[ . 1 . 2]" 1
353 1 52 VAL MG2 1 73 TRP HZ2 . . 5.020 4.640 3.970 4.998 . 0 0 "[ . 1 . 2]" 1
354 1 52 VAL MG2 1 78 TYR QD . . 4.550 3.782 3.425 3.962 . 0 0 "[ . 1 . 2]" 1
355 1 52 VAL MG2 1 78 TYR QE . . 3.380 3.188 2.882 3.375 . 0 0 "[ . 1 . 2]" 1
356 1 52 VAL MG2 1 83 MET ME . . 3.620 3.285 2.918 3.600 . 0 0 "[ . 1 . 2]" 1
357 1 52 VAL MG2 1 86 PHE HB2 . . 4.640 3.380 3.009 4.054 . 0 0 "[ . 1 . 2]" 1
358 1 52 VAL MG2 1 86 PHE HB3 . . 4.690 3.169 2.688 3.700 . 0 0 "[ . 1 . 2]" 1
359 1 52 VAL MG2 1 86 PHE QD . . 4.020 2.474 2.031 3.175 . 0 0 "[ . 1 . 2]" 1
360 1 52 VAL MG2 1 86 PHE QE . . 4.640 3.380 2.850 3.824 . 0 0 "[ . 1 . 2]" 1
361 1 52 VAL MG2 1 86 PHE HZ . . 4.960 4.619 4.042 4.963 0.003 10 0 "[ . 1 . 2]" 1
362 1 53 LYS H 1 53 LYS HB2 . . 3.450 2.243 2.175 2.399 . 0 0 "[ . 1 . 2]" 1
363 1 53 LYS H 1 53 LYS HD2 . . 5.500 4.634 2.186 5.361 . 0 0 "[ . 1 . 2]" 1
364 1 53 LYS H 1 53 LYS HD3 . . 5.500 4.531 3.141 5.128 . 0 0 "[ . 1 . 2]" 1
365 1 53 LYS H 1 53 LYS HG2 . . 4.140 2.862 2.359 4.010 . 0 0 "[ . 1 . 2]" 1
366 1 53 LYS H 1 53 LYS QG . . 3.630 2.730 2.330 3.577 . 0 0 "[ . 1 . 2]" 1
367 1 53 LYS H 1 53 LYS HG3 . . 4.140 3.687 2.874 4.020 . 0 0 "[ . 1 . 2]" 1
368 1 53 LYS H 1 54 LYS H . . 3.660 2.788 2.664 2.962 . 0 0 "[ . 1 . 2]" 1
369 1 53 LYS H 1 55 MET H . . 4.570 4.454 4.183 4.571 0.001 20 0 "[ . 1 . 2]" 1
370 1 53 LYS HA 1 53 LYS HD2 . . 4.800 3.013 1.999 4.660 . 0 0 "[ . 1 . 2]" 1
371 1 53 LYS HA 1 53 LYS QD . . 4.130 2.433 1.982 4.047 . 0 0 "[ . 1 . 2]" 1
372 1 53 LYS HA 1 53 LYS HD3 . . 4.800 2.991 2.006 4.443 . 0 0 "[ . 1 . 2]" 1
373 1 53 LYS HA 1 53 LYS HE2 . . 4.850 4.055 2.002 4.788 . 0 0 "[ . 1 . 2]" 1
374 1 53 LYS HA 1 53 LYS QE . . 4.260 3.514 1.987 4.164 . 0 0 "[ . 1 . 2]" 1
375 1 53 LYS HA 1 53 LYS HE3 . . 4.850 4.070 1.997 4.709 . 0 0 "[ . 1 . 2]" 1
376 1 53 LYS HA 1 53 LYS HG2 . . 3.870 2.619 2.228 3.621 . 0 0 "[ . 1 . 2]" 1
377 1 53 LYS HA 1 53 LYS HG3 . . 3.870 3.561 2.435 3.717 . 0 0 "[ . 1 . 2]" 1
378 1 53 LYS HA 1 56 ALA H . . 4.280 3.512 2.977 3.899 . 0 0 "[ . 1 . 2]" 1
379 1 53 LYS HA 1 56 ALA MB . . 3.220 2.572 2.128 2.987 . 0 0 "[ . 1 . 2]" 1
380 1 53 LYS HA 1 57 LYS H . . 4.940 4.171 3.656 4.570 . 0 0 "[ . 1 . 2]" 1
381 1 53 LYS HA 1 87 LEU HA . . 5.110 4.320 3.261 5.119 0.009 10 0 "[ . 1 . 2]" 1
382 1 53 LYS HA 1 87 LEU MD2 . . 3.730 2.652 2.104 3.363 . 0 0 "[ . 1 . 2]" 1
383 1 53 LYS HB2 1 54 LYS H . . 3.680 2.681 2.303 3.067 . 0 0 "[ . 1 . 2]" 1
384 1 53 LYS QD 1 87 LEU HA . . 3.690 2.978 1.902 3.725 0.035 10 0 "[ . 1 . 2]" 1
385 1 53 LYS QD 1 87 LEU MD2 . . 4.530 2.846 1.864 4.258 . 0 0 "[ . 1 . 2]" 1
386 1 53 LYS QD 1 95 TYR QE . . 4.110 3.380 2.462 3.966 . 0 0 "[ . 1 . 2]" 1
387 1 53 LYS HD2 1 87 LEU MD2 . . 5.240 3.625 2.033 4.897 . 0 0 "[ . 1 . 2]" 1
388 1 53 LYS HD2 1 95 TYR QD . . 5.500 4.737 4.069 5.488 . 0 0 "[ . 1 . 2]" 1
389 1 53 LYS HD2 1 95 TYR QE . . 4.820 3.796 3.192 4.448 . 0 0 "[ . 1 . 2]" 1
390 1 53 LYS HD3 1 87 LEU MD2 . . 5.240 3.266 1.962 5.239 . 0 0 "[ . 1 . 2]" 1
391 1 53 LYS HD3 1 95 TYR QD . . 5.500 4.593 3.882 5.504 0.004 10 0 "[ . 1 . 2]" 1
392 1 53 LYS HD3 1 95 TYR QE . . 4.820 3.883 2.494 4.753 . 0 0 "[ . 1 . 2]" 1
393 1 53 LYS QE 1 56 ALA MB . . 5.340 4.194 2.569 5.015 . 0 0 "[ . 1 . 2]" 1
394 1 53 LYS QE 1 87 LEU HA . . 4.030 2.909 1.840 3.779 . 0 0 "[ . 1 . 2]" 1
395 1 53 LYS QE 1 87 LEU MD2 . . 4.140 3.266 2.052 4.029 . 0 0 "[ . 1 . 2]" 1
396 1 53 LYS QE 1 88 LYS H . . 5.340 4.744 3.336 5.348 0.008 15 0 "[ . 1 . 2]" 1
397 1 53 LYS QE 1 89 SER QB . . 3.850 2.875 1.987 3.852 0.002 15 0 "[ . 1 . 2]" 1
398 1 53 LYS QE 1 95 TYR QD . . 4.520 3.221 2.420 3.820 . 0 0 "[ . 1 . 2]" 1
399 1 53 LYS QE 1 95 TYR QE . . 3.500 2.313 1.988 2.933 . 0 0 "[ . 1 . 2]" 1
400 1 53 LYS HE2 1 87 LEU HA . . 4.630 3.595 2.006 4.634 0.004 2 0 "[ . 1 . 2]" 1
401 1 53 LYS HE2 1 87 LEU MD2 . . 4.700 3.774 2.129 4.702 0.002 13 0 "[ . 1 . 2]" 1
402 1 53 LYS HE2 1 95 TYR QE . . 4.030 2.720 2.045 4.033 0.003 3 0 "[ . 1 . 2]" 1
403 1 53 LYS HE3 1 87 LEU HA . . 4.630 3.219 1.991 4.542 . 0 0 "[ . 1 . 2]" 1
404 1 53 LYS HE3 1 87 LEU MD2 . . 4.700 3.679 2.684 4.501 . 0 0 "[ . 1 . 2]" 1
405 1 53 LYS HE3 1 95 TYR QE . . 4.030 3.308 2.019 4.035 0.005 10 0 "[ . 1 . 2]" 1
406 1 53 LYS QG 1 54 LYS H . . 5.170 4.276 4.029 4.442 . 0 0 "[ . 1 . 2]" 1
407 1 53 LYS QG 1 87 LEU HA . . 4.590 3.445 2.342 4.180 . 0 0 "[ . 1 . 2]" 1
408 1 53 LYS QG 1 87 LEU MD2 . . 3.760 3.198 2.478 3.758 . 0 0 "[ . 1 . 2]" 1
409 1 53 LYS QG 1 95 TYR QE . . 5.340 4.720 2.350 5.275 . 0 0 "[ . 1 . 2]" 1
410 1 54 LYS H 1 54 LYS QB . . 3.000 2.237 2.111 2.466 . 0 0 "[ . 1 . 2]" 1
411 1 54 LYS H 1 54 LYS QD . . 5.340 4.036 2.073 4.557 . 0 0 "[ . 1 . 2]" 1
412 1 54 LYS H 1 54 LYS HG2 . . 4.710 3.829 2.732 4.619 . 0 0 "[ . 1 . 2]" 1
413 1 54 LYS H 1 54 LYS QG . . 3.910 3.079 2.324 4.001 0.091 3 0 "[ . 1 . 2]" 1
414 1 54 LYS H 1 54 LYS HG3 . . 4.710 3.389 2.416 4.385 . 0 0 "[ . 1 . 2]" 1
415 1 54 LYS H 1 55 MET H . . 3.480 2.896 2.474 3.123 . 0 0 "[ . 1 . 2]" 1
416 1 54 LYS H 1 56 ALA H . . 4.730 4.207 3.703 4.540 . 0 0 "[ . 1 . 2]" 1
417 1 54 LYS HA 1 54 LYS HG2 . . 3.900 2.808 2.164 3.893 . 0 0 "[ . 1 . 2]" 1
418 1 54 LYS HA 1 54 LYS QG . . 3.330 2.383 2.127 2.924 . 0 0 "[ . 1 . 2]" 1
419 1 54 LYS HA 1 54 LYS HG3 . . 3.900 2.909 2.258 3.638 . 0 0 "[ . 1 . 2]" 1
420 1 54 LYS HA 1 57 LYS H . . 4.240 3.723 3.150 3.979 . 0 0 "[ . 1 . 2]" 1
421 1 54 LYS HA 1 57 LYS QB . . 3.620 3.104 2.402 3.458 . 0 0 "[ . 1 . 2]" 1
422 1 54 LYS HA 1 57 LYS HD2 . . 5.100 3.405 2.032 4.790 . 0 0 "[ . 1 . 2]" 1
423 1 54 LYS HA 1 57 LYS QD . . 4.310 2.819 1.923 4.260 . 0 0 "[ . 1 . 2]" 1
424 1 54 LYS HA 1 57 LYS HD3 . . 5.100 3.493 2.004 5.063 . 0 0 "[ . 1 . 2]" 1
425 1 54 LYS HA 1 57 LYS QE . . 5.340 3.596 2.056 5.248 . 0 0 "[ . 1 . 2]" 1
426 1 54 LYS HA 1 57 LYS QG . . 4.510 3.526 2.600 4.359 . 0 0 "[ . 1 . 2]" 1
427 1 54 LYS HA 1 58 ALA H . . 4.830 4.506 3.925 4.830 0.000 19 0 "[ . 1 . 2]" 1
428 1 54 LYS QB 1 54 LYS QD . . 2.910 2.156 2.048 2.431 . 0 0 "[ . 1 . 2]" 1
429 1 54 LYS QB 1 55 MET H . . 3.580 2.437 2.195 2.671 . 0 0 "[ . 1 . 2]" 1
430 1 54 LYS QB 1 55 MET QG . . 4.150 3.162 2.896 3.298 . 0 0 "[ . 1 . 2]" 1
431 1 54 LYS HB2 1 55 MET HG2 . . 5.500 4.181 3.263 5.501 0.001 15 0 "[ . 1 . 2]" 1
432 1 54 LYS HB2 1 55 MET HG3 . . 5.500 4.789 3.401 5.439 . 0 0 "[ . 1 . 2]" 1
433 1 54 LYS HB3 1 55 MET HG2 . . 5.500 3.814 3.538 4.764 . 0 0 "[ . 1 . 2]" 1
434 1 54 LYS HB3 1 55 MET HG3 . . 5.500 4.726 3.316 5.501 0.001 17 0 "[ . 1 . 2]" 1
435 1 54 LYS QE 1 54 LYS QG . . 3.160 2.221 2.055 2.607 . 0 0 "[ . 1 . 2]" 1
436 1 54 LYS QG 1 55 MET H . . 4.280 4.049 3.196 4.275 . 0 0 "[ . 1 . 2]" 1
437 1 54 LYS HG2 1 55 MET H . . 4.950 4.659 4.048 4.952 0.002 7 0 "[ . 1 . 2]" 1
438 1 54 LYS HG3 1 55 MET H . . 4.950 4.500 3.334 4.906 . 0 0 "[ . 1 . 2]" 1
439 1 55 MET H 1 55 MET HB2 . . 3.630 2.642 2.482 2.871 . 0 0 "[ . 1 . 2]" 1
440 1 55 MET H 1 55 MET HB3 . . 3.950 3.585 3.541 3.619 . 0 0 "[ . 1 . 2]" 1
441 1 55 MET H 1 55 MET ME . . 4.920 4.603 4.119 4.839 . 0 0 "[ . 1 . 2]" 1
442 1 55 MET H 1 55 MET HG2 . . 3.720 2.389 1.973 3.312 . 0 0 "[ . 1 . 2]" 1
443 1 55 MET H 1 55 MET HG3 . . 3.720 2.691 1.899 3.317 . 0 0 "[ . 1 . 2]" 1
444 1 55 MET H 1 56 ALA H . . 3.670 2.772 2.343 2.983 . 0 0 "[ . 1 . 2]" 1
445 1 55 MET H 1 73 TRP HE1 . . 5.030 4.655 4.252 4.909 . 0 0 "[ . 1 . 2]" 1
446 1 55 MET H 1 73 TRP HZ2 . . 4.670 4.221 3.832 4.451 . 0 0 "[ . 1 . 2]" 1
447 1 55 MET HA 1 55 MET ME . . 4.560 4.150 3.385 4.458 . 0 0 "[ . 1 . 2]" 1
448 1 55 MET HA 1 55 MET HG2 . . 3.830 2.707 2.537 2.800 . 0 0 "[ . 1 . 2]" 1
449 1 55 MET HA 1 55 MET QG . . 3.250 2.630 2.482 2.734 . 0 0 "[ . 1 . 2]" 1
450 1 55 MET HA 1 55 MET HG3 . . 3.830 3.620 3.009 3.819 . 0 0 "[ . 1 . 2]" 1
451 1 55 MET HA 1 58 ALA H . . 4.050 3.805 3.570 4.034 . 0 0 "[ . 1 . 2]" 1
452 1 55 MET HA 1 58 ALA MB . . 3.300 2.971 2.791 3.230 . 0 0 "[ . 1 . 2]" 1
453 1 55 MET HA 1 69 VAL MG1 . . 4.550 4.142 3.779 4.492 . 0 0 "[ . 1 . 2]" 1
454 1 55 MET HA 1 69 VAL MG2 . . 4.180 3.548 2.869 3.909 . 0 0 "[ . 1 . 2]" 1
455 1 55 MET HB2 1 56 ALA H . . 4.290 2.596 2.132 3.072 . 0 0 "[ . 1 . 2]" 1
456 1 55 MET HB2 1 56 ALA MB . . 4.500 3.981 3.758 4.088 . 0 0 "[ . 1 . 2]" 1
457 1 55 MET HB2 1 69 VAL MG1 . . 4.010 2.815 2.270 3.214 . 0 0 "[ . 1 . 2]" 1
458 1 55 MET HB2 1 69 VAL MG2 . . 4.150 3.739 3.215 4.111 . 0 0 "[ . 1 . 2]" 1
459 1 55 MET HB2 1 73 TRP HE1 . . 4.150 2.998 2.635 3.535 . 0 0 "[ . 1 . 2]" 1
460 1 55 MET HB2 1 73 TRP HZ2 . . 3.790 2.130 1.999 2.436 . 0 0 "[ . 1 . 2]" 1
461 1 55 MET HB3 1 56 ALA H . . 4.540 3.725 3.468 4.123 . 0 0 "[ . 1 . 2]" 1
462 1 55 MET HB3 1 69 VAL MG1 . . 3.580 2.127 1.957 2.626 . 0 0 "[ . 1 . 2]" 1
463 1 55 MET HB3 1 69 VAL MG2 . . 4.350 2.319 1.986 2.651 . 0 0 "[ . 1 . 2]" 1
464 1 55 MET HB3 1 73 TRP HE1 . . 4.360 4.014 3.696 4.356 . 0 0 "[ . 1 . 2]" 1
465 1 55 MET HB3 1 73 TRP HZ2 . . 4.040 3.403 2.890 3.872 . 0 0 "[ . 1 . 2]" 1
466 1 55 MET ME 1 55 MET HG2 . . 3.500 2.891 2.103 3.393 . 0 0 "[ . 1 . 2]" 1
467 1 55 MET ME 1 55 MET HG3 . . 3.500 2.559 1.989 3.381 . 0 0 "[ . 1 . 2]" 1
468 1 55 MET ME 1 69 VAL HA . . 3.970 2.870 2.286 3.402 . 0 0 "[ . 1 . 2]" 1
469 1 55 MET ME 1 69 VAL MG1 . . 3.260 2.562 1.943 3.177 . 0 0 "[ . 1 . 2]" 1
470 1 55 MET ME 1 69 VAL MG2 . . 3.500 2.872 2.347 3.483 . 0 0 "[ . 1 . 2]" 1
471 1 55 MET ME 1 72 LYS H . . 5.420 4.660 4.248 4.957 . 0 0 "[ . 1 . 2]" 1
472 1 55 MET ME 1 72 LYS HA . . 5.030 4.805 4.490 5.032 0.002 11 0 "[ . 1 . 2]" 1
473 1 55 MET ME 1 72 LYS HD2 . . 4.400 3.016 2.228 4.391 . 0 0 "[ . 1 . 2]" 1
474 1 55 MET ME 1 72 LYS QD . . 3.750 2.309 1.831 3.708 . 0 0 "[ . 1 . 2]" 1
475 1 55 MET ME 1 72 LYS HD3 . . 4.400 2.633 1.897 4.396 . 0 0 "[ . 1 . 2]" 1
476 1 55 MET ME 1 72 LYS HG2 . . 4.420 3.981 2.608 4.422 0.002 14 0 "[ . 1 . 2]" 1
477 1 55 MET ME 1 72 LYS QG . . 3.710 3.511 2.572 3.711 0.001 20 0 "[ . 1 . 2]" 1
478 1 55 MET ME 1 72 LYS HG3 . . 4.420 4.017 3.576 4.323 . 0 0 "[ . 1 . 2]" 1
479 1 55 MET ME 1 73 TRP H . . 4.850 3.829 2.935 4.161 . 0 0 "[ . 1 . 2]" 1
480 1 55 MET ME 1 73 TRP HB2 . . 5.500 5.200 4.149 5.505 0.005 12 0 "[ . 1 . 2]" 1
481 1 55 MET ME 1 73 TRP HD1 . . 3.920 3.592 2.268 3.924 0.004 15 0 "[ . 1 . 2]" 1
482 1 55 MET ME 1 73 TRP HE1 . . 3.870 3.317 1.899 3.862 . 0 0 "[ . 1 . 2]" 1
483 1 55 MET ME 1 73 TRP HZ2 . . 5.500 4.535 3.050 5.182 . 0 0 "[ . 1 . 2]" 1
484 1 55 MET QG 1 69 VAL MG1 . . 4.100 3.560 3.191 4.028 . 0 0 "[ . 1 . 2]" 1
485 1 55 MET QG 1 69 VAL MG2 . . 4.290 3.921 3.599 4.161 . 0 0 "[ . 1 . 2]" 1
486 1 55 MET QG 1 73 TRP HZ2 . . 4.350 3.730 3.354 4.125 . 0 0 "[ . 1 . 2]" 1
487 1 55 MET HG2 1 69 VAL MG1 . . 4.740 4.345 3.869 4.742 0.002 4 0 "[ . 1 . 2]" 1
488 1 55 MET HG2 1 69 VAL MG2 . . 4.890 4.406 3.763 4.891 0.001 8 0 "[ . 1 . 2]" 1
489 1 55 MET HG2 1 73 TRP HE1 . . 4.870 4.257 3.934 4.651 . 0 0 "[ . 1 . 2]" 1
490 1 55 MET HG2 1 73 TRP HZ2 . . 5.020 4.802 4.348 5.021 0.001 4 0 "[ . 1 . 2]" 1
491 1 55 MET HG3 1 69 VAL MG1 . . 4.740 3.860 3.290 4.675 . 0 0 "[ . 1 . 2]" 1
492 1 55 MET HG3 1 69 VAL MG2 . . 4.890 4.528 4.034 4.893 0.003 7 0 "[ . 1 . 2]" 1
493 1 55 MET HG3 1 73 TRP HE1 . . 4.870 2.920 2.418 4.017 . 0 0 "[ . 1 . 2]" 1
494 1 55 MET HG3 1 73 TRP HZ2 . . 5.020 3.894 3.489 4.386 . 0 0 "[ . 1 . 2]" 1
495 1 56 ALA H 1 56 ALA MB . . 3.190 2.123 2.025 2.239 . 0 0 "[ . 1 . 2]" 1
496 1 56 ALA H 1 57 LYS H . . 3.780 2.852 2.472 3.062 . 0 0 "[ . 1 . 2]" 1
497 1 56 ALA H 1 58 ALA H . . 4.830 4.413 3.811 4.697 . 0 0 "[ . 1 . 2]" 1
498 1 56 ALA H 1 59 ILE MD . . 4.840 4.026 3.630 4.475 . 0 0 "[ . 1 . 2]" 1
499 1 56 ALA H 1 73 TRP HZ2 . . 4.220 2.952 2.338 3.466 . 0 0 "[ . 1 . 2]" 1
500 1 56 ALA HA 1 59 ILE H . . 4.040 3.459 3.200 3.649 . 0 0 "[ . 1 . 2]" 1
501 1 56 ALA HA 1 59 ILE HB . . 3.870 2.922 2.549 3.203 . 0 0 "[ . 1 . 2]" 1
502 1 56 ALA HA 1 59 ILE MD . . 3.540 2.117 1.975 2.347 . 0 0 "[ . 1 . 2]" 1
503 1 56 ALA HA 1 59 ILE HG12 . . 4.600 4.524 4.204 4.603 0.003 10 0 "[ . 1 . 2]" 1
504 1 56 ALA HA 1 59 ILE HG13 . . 4.100 3.275 2.694 3.508 . 0 0 "[ . 1 . 2]" 1
505 1 56 ALA HA 1 59 ILE MG . . 4.360 4.179 3.935 4.361 0.001 6 0 "[ . 1 . 2]" 1
506 1 56 ALA HA 1 69 VAL MG1 . . 4.960 4.041 3.486 4.388 . 0 0 "[ . 1 . 2]" 1
507 1 56 ALA HA 1 73 TRP HH2 . . 4.330 2.959 2.192 3.545 . 0 0 "[ . 1 . 2]" 1
508 1 56 ALA HA 1 73 TRP HZ2 . . 4.640 3.747 3.076 4.454 . 0 0 "[ . 1 . 2]" 1
509 1 56 ALA HA 1 98 VAL MG1 . . 3.520 2.559 1.979 3.148 . 0 0 "[ . 1 . 2]" 1
510 1 56 ALA HA 1 98 VAL MG2 . . 3.670 3.012 2.426 3.526 . 0 0 "[ . 1 . 2]" 1
511 1 56 ALA MB 1 57 LYS H . . 3.520 2.368 2.075 2.551 . 0 0 "[ . 1 . 2]" 1
512 1 56 ALA MB 1 57 LYS HA . . 4.030 3.669 3.550 3.766 . 0 0 "[ . 1 . 2]" 1
513 1 56 ALA MB 1 58 ALA H . . 5.260 4.578 4.289 4.696 . 0 0 "[ . 1 . 2]" 1
514 1 56 ALA MB 1 60 MET H . . 5.060 4.477 4.068 4.749 . 0 0 "[ . 1 . 2]" 1
515 1 56 ALA MB 1 60 MET HG2 . . 4.650 4.064 3.271 4.635 . 0 0 "[ . 1 . 2]" 1
516 1 56 ALA MB 1 60 MET QG . . 3.990 3.525 3.090 3.792 . 0 0 "[ . 1 . 2]" 1
517 1 56 ALA MB 1 60 MET HG3 . . 4.650 3.954 3.573 4.555 . 0 0 "[ . 1 . 2]" 1
518 1 56 ALA MB 1 73 TRP HH2 . . 3.580 2.918 2.281 3.525 . 0 0 "[ . 1 . 2]" 1
519 1 56 ALA MB 1 73 TRP HZ2 . . 3.910 3.206 2.727 3.804 . 0 0 "[ . 1 . 2]" 1
520 1 56 ALA MB 1 87 LEU MD1 . . 3.800 3.232 2.561 3.797 . 0 0 "[ . 1 . 2]" 1
521 1 56 ALA MB 1 87 LEU MD2 . . 3.130 2.060 1.794 2.352 . 0 0 "[ . 1 . 2]" 1
522 1 56 ALA MB 1 95 TYR HB2 . . 4.900 4.430 3.735 4.839 . 0 0 "[ . 1 . 2]" 1
523 1 56 ALA MB 1 95 TYR HB3 . . 4.490 3.387 2.615 3.784 . 0 0 "[ . 1 . 2]" 1
524 1 56 ALA MB 1 95 TYR QD . . 3.500 2.300 1.856 3.121 . 0 0 "[ . 1 . 2]" 1
525 1 56 ALA MB 1 95 TYR QE . . 3.500 2.598 1.948 3.157 . 0 0 "[ . 1 . 2]" 1
526 1 56 ALA MB 1 98 VAL HB . . 4.650 3.430 3.005 3.851 . 0 0 "[ . 1 . 2]" 1
527 1 57 LYS H 1 57 LYS HB2 . . 3.660 2.504 2.328 2.683 . 0 0 "[ . 1 . 2]" 1
528 1 57 LYS H 1 57 LYS QB . . 3.170 2.457 2.299 2.613 . 0 0 "[ . 1 . 2]" 1
529 1 57 LYS H 1 57 LYS HB3 . . 3.660 3.592 3.562 3.624 . 0 0 "[ . 1 . 2]" 1
530 1 57 LYS H 1 57 LYS HD2 . . 5.500 4.205 3.270 4.942 . 0 0 "[ . 1 . 2]" 1
531 1 57 LYS H 1 57 LYS QD . . 4.740 3.701 3.094 4.434 . 0 0 "[ . 1 . 2]" 1
532 1 57 LYS H 1 57 LYS HD3 . . 5.500 4.255 3.358 5.060 . 0 0 "[ . 1 . 2]" 1
533 1 57 LYS H 1 57 LYS HE2 . . 5.500 5.097 3.876 5.500 0.000 19 0 "[ . 1 . 2]" 1
534 1 57 LYS H 1 57 LYS HE3 . . 5.500 4.861 3.269 5.551 0.051 6 0 "[ . 1 . 2]" 1
535 1 57 LYS H 1 57 LYS HG2 . . 4.130 3.484 2.939 3.826 . 0 0 "[ . 1 . 2]" 1
536 1 57 LYS H 1 57 LYS QG . . 3.430 2.227 1.884 2.514 . 0 0 "[ . 1 . 2]" 1
537 1 57 LYS H 1 57 LYS HG3 . . 4.130 2.260 1.892 2.590 . 0 0 "[ . 1 . 2]" 1
538 1 57 LYS H 1 58 ALA H . . 3.610 2.995 2.753 3.220 . 0 0 "[ . 1 . 2]" 1
539 1 57 LYS H 1 95 TYR QE . . 4.620 3.326 2.673 4.116 . 0 0 "[ . 1 . 2]" 1
540 1 57 LYS HA 1 57 LYS HD2 . . 5.500 4.615 4.077 4.893 . 0 0 "[ . 1 . 2]" 1
541 1 57 LYS HA 1 57 LYS QD . . 4.760 4.041 3.792 4.195 . 0 0 "[ . 1 . 2]" 1
542 1 57 LYS HA 1 57 LYS HD3 . . 5.500 4.496 4.109 4.682 . 0 0 "[ . 1 . 2]" 1
543 1 57 LYS HA 1 57 LYS HG2 . . 3.630 2.604 2.258 2.968 . 0 0 "[ . 1 . 2]" 1
544 1 57 LYS HA 1 57 LYS HG3 . . 3.630 2.900 2.585 3.267 . 0 0 "[ . 1 . 2]" 1
545 1 57 LYS HA 1 59 ILE H . . 4.650 4.334 4.123 4.603 . 0 0 "[ . 1 . 2]" 1
546 1 57 LYS HA 1 60 MET H . . 4.280 3.537 3.376 3.805 . 0 0 "[ . 1 . 2]" 1
547 1 57 LYS HA 1 60 MET HB2 . . 3.450 3.187 2.753 3.457 0.007 8 0 "[ . 1 . 2]" 1
548 1 57 LYS HA 1 60 MET ME . . 4.570 3.896 2.435 4.440 . 0 0 "[ . 1 . 2]" 1
549 1 57 LYS HA 1 60 MET HG2 . . 3.970 3.569 3.081 3.970 . 0 0 "[ . 1 . 2]" 1
550 1 57 LYS HA 1 60 MET QG . . 3.430 2.367 2.027 2.906 . 0 0 "[ . 1 . 2]" 1
551 1 57 LYS HA 1 60 MET HG3 . . 3.970 2.425 2.039 3.021 . 0 0 "[ . 1 . 2]" 1
552 1 57 LYS HA 1 95 TYR QE . . 3.800 2.818 2.088 3.795 . 0 0 "[ . 1 . 2]" 1
553 1 57 LYS QB 1 57 LYS QD . . 3.330 2.139 2.018 2.212 . 0 0 "[ . 1 . 2]" 1
554 1 57 LYS QB 1 58 ALA MB . . 5.030 3.744 3.647 3.888 . 0 0 "[ . 1 . 2]" 1
555 1 57 LYS HB2 1 58 ALA H . . 3.920 2.424 2.183 2.832 . 0 0 "[ . 1 . 2]" 1
556 1 57 LYS HB3 1 58 ALA H . . 3.920 3.322 2.980 3.821 . 0 0 "[ . 1 . 2]" 1
557 1 57 LYS QG 1 58 ALA H . . 4.470 4.097 3.864 4.270 . 0 0 "[ . 1 . 2]" 1
558 1 57 LYS QG 1 95 TYR QE . . 3.430 2.720 1.929 3.253 . 0 0 "[ . 1 . 2]" 1
559 1 57 LYS HG2 1 58 ALA H . . 5.240 4.931 4.754 5.205 . 0 0 "[ . 1 . 2]" 1
560 1 57 LYS HG2 1 95 TYR QE . . 3.920 3.211 2.481 3.872 . 0 0 "[ . 1 . 2]" 1
561 1 57 LYS HG3 1 58 ALA H . . 5.240 4.383 4.089 4.601 . 0 0 "[ . 1 . 2]" 1
562 1 57 LYS HG3 1 95 TYR QE . . 3.920 3.049 1.997 3.851 . 0 0 "[ . 1 . 2]" 1
563 1 58 ALA H 1 58 ALA MB . . 2.960 2.093 2.028 2.219 . 0 0 "[ . 1 . 2]" 1
564 1 58 ALA H 1 59 ILE H . . 3.560 2.809 2.540 3.020 . 0 0 "[ . 1 . 2]" 1
565 1 58 ALA H 1 59 ILE HG13 . . 5.110 4.437 4.137 4.659 . 0 0 "[ . 1 . 2]" 1
566 1 58 ALA MB 1 59 ILE H . . 3.470 2.647 2.417 2.858 . 0 0 "[ . 1 . 2]" 1
567 1 58 ALA MB 1 59 ILE HA . . 4.770 3.744 3.626 3.833 . 0 0 "[ . 1 . 2]" 1
568 1 58 ALA MB 1 59 ILE MG . . 5.190 4.957 4.881 5.038 . 0 0 "[ . 1 . 2]" 1
569 1 58 ALA MB 1 69 VAL MG2 . . 3.930 3.700 3.365 3.931 0.001 1 0 "[ . 1 . 2]" 1
570 1 59 ILE H 1 59 ILE HB . . 3.490 2.522 2.449 2.591 . 0 0 "[ . 1 . 2]" 1
571 1 59 ILE H 1 59 ILE MD . . 3.990 3.425 3.246 3.690 . 0 0 "[ . 1 . 2]" 1
572 1 59 ILE H 1 59 ILE HG12 . . 4.010 3.503 3.327 3.688 . 0 0 "[ . 1 . 2]" 1
573 1 59 ILE H 1 59 ILE HG13 . . 3.620 2.128 1.988 2.276 . 0 0 "[ . 1 . 2]" 1
574 1 59 ILE H 1 59 ILE MG . . 3.830 3.762 3.749 3.768 . 0 0 "[ . 1 . 2]" 1
575 1 59 ILE H 1 60 MET H . . 3.580 2.749 2.603 2.950 . 0 0 "[ . 1 . 2]" 1
576 1 59 ILE H 1 60 MET QG . . 5.340 4.113 3.793 4.520 . 0 0 "[ . 1 . 2]" 1
577 1 59 ILE HA 1 59 ILE MD . . 4.050 3.855 3.783 3.885 . 0 0 "[ . 1 . 2]" 1
578 1 59 ILE HA 1 59 ILE HG12 . . 3.900 2.618 2.470 2.718 . 0 0 "[ . 1 . 2]" 1
579 1 59 ILE HA 1 59 ILE HG13 . . 3.790 2.876 2.727 3.106 . 0 0 "[ . 1 . 2]" 1
580 1 59 ILE HA 1 59 ILE MG . . 3.320 2.406 2.287 2.459 . 0 0 "[ . 1 . 2]" 1
581 1 59 ILE HA 1 62 ASP H . . 4.170 3.393 2.984 3.987 . 0 0 "[ . 1 . 2]" 1
582 1 59 ILE HA 1 63 PRO HA . . 4.230 4.075 3.763 4.240 0.010 12 0 "[ . 1 . 2]" 1
583 1 59 ILE HA 1 65 LYS H . . 4.640 4.165 3.685 4.473 . 0 0 "[ . 1 . 2]" 1
584 1 59 ILE HA 1 65 LYS HB2 . . 4.230 2.619 2.039 3.354 . 0 0 "[ . 1 . 2]" 1
585 1 59 ILE HA 1 65 LYS QB . . 3.660 2.557 2.003 3.232 . 0 0 "[ . 1 . 2]" 1
586 1 59 ILE HA 1 65 LYS HB3 . . 4.230 3.639 2.931 4.237 0.007 3 0 "[ . 1 . 2]" 1
587 1 59 ILE HA 1 66 ALA HA . . 4.790 4.419 4.134 4.777 . 0 0 "[ . 1 . 2]" 1
588 1 59 ILE HA 1 66 ALA MB . . 4.730 4.024 3.789 4.363 . 0 0 "[ . 1 . 2]" 1
589 1 59 ILE HB 1 59 ILE MD . . 3.120 2.345 2.229 2.485 . 0 0 "[ . 1 . 2]" 1
590 1 59 ILE HB 1 60 MET H . . 3.750 2.422 2.271 2.665 . 0 0 "[ . 1 . 2]" 1
591 1 59 ILE HB 1 66 ALA HA . . 4.750 4.563 4.123 4.754 0.004 9 0 "[ . 1 . 2]" 1
592 1 59 ILE HB 1 66 ALA MB . . 4.520 4.318 4.024 4.474 . 0 0 "[ . 1 . 2]" 1
593 1 59 ILE HB 1 98 VAL MG1 . . 4.120 3.232 2.725 3.655 . 0 0 "[ . 1 . 2]" 1
594 1 59 ILE HB 1 98 VAL MG2 . . 3.500 2.459 2.151 2.716 . 0 0 "[ . 1 . 2]" 1
595 1 59 ILE MD 1 59 ILE MG . . 2.900 2.111 1.921 2.319 . 0 0 "[ . 1 . 2]" 1
596 1 59 ILE MD 1 66 ALA H . . 4.890 4.136 3.701 4.427 . 0 0 "[ . 1 . 2]" 1
597 1 59 ILE MD 1 66 ALA HA . . 3.320 2.219 1.925 2.556 . 0 0 "[ . 1 . 2]" 1
598 1 59 ILE MD 1 66 ALA MB . . 3.390 2.944 2.187 3.342 . 0 0 "[ . 1 . 2]" 1
599 1 59 ILE MD 1 69 VAL H . . 4.470 4.186 3.754 4.451 . 0 0 "[ . 1 . 2]" 1
600 1 59 ILE MD 1 69 VAL HB . . 3.170 2.183 1.979 2.504 . 0 0 "[ . 1 . 2]" 1
601 1 59 ILE MD 1 69 VAL MG1 . . 3.260 2.224 1.938 2.853 . 0 0 "[ . 1 . 2]" 1
602 1 59 ILE MD 1 69 VAL MG2 . . 3.520 2.257 1.952 2.532 . 0 0 "[ . 1 . 2]" 1
603 1 59 ILE MD 1 70 TYR H . . 4.860 3.723 3.534 4.072 . 0 0 "[ . 1 . 2]" 1
604 1 59 ILE MD 1 70 TYR QE . . 3.900 3.640 3.117 3.890 . 0 0 "[ . 1 . 2]" 1
605 1 59 ILE MD 1 73 TRP HH2 . . 4.330 2.570 2.093 3.185 . 0 0 "[ . 1 . 2]" 1
606 1 59 ILE MD 1 73 TRP HZ2 . . 4.520 3.733 3.349 4.370 . 0 0 "[ . 1 . 2]" 1
607 1 59 ILE MD 1 73 TRP HZ3 . . 4.620 3.297 2.862 3.680 . 0 0 "[ . 1 . 2]" 1
608 1 59 ILE MD 1 98 VAL HA . . 4.730 3.803 3.329 4.164 . 0 0 "[ . 1 . 2]" 1
609 1 59 ILE MD 1 98 VAL MG1 . . 3.230 2.009 1.735 2.551 . 0 0 "[ . 1 . 2]" 1
610 1 59 ILE MD 1 98 VAL MG2 . . 3.670 2.814 2.402 3.108 . 0 0 "[ . 1 . 2]" 1
611 1 59 ILE HG12 1 60 MET H . . 5.270 4.949 4.842 5.107 . 0 0 "[ . 1 . 2]" 1
612 1 59 ILE HG12 1 66 ALA HA . . 3.820 2.201 1.998 2.701 . 0 0 "[ . 1 . 2]" 1
613 1 59 ILE HG12 1 66 ALA MB . . 4.470 3.169 2.788 3.547 . 0 0 "[ . 1 . 2]" 1
614 1 59 ILE HG12 1 69 VAL HB . . 5.100 3.511 3.107 3.992 . 0 0 "[ . 1 . 2]" 1
615 1 59 ILE HG13 1 59 ILE MG . . 3.490 3.185 3.165 3.201 . 0 0 "[ . 1 . 2]" 1
616 1 59 ILE HG13 1 60 MET H . . 5.410 4.211 4.065 4.330 . 0 0 "[ . 1 . 2]" 1
617 1 59 ILE HG13 1 66 ALA HA . . 4.070 3.754 3.402 4.071 0.001 18 0 "[ . 1 . 2]" 1
618 1 59 ILE HG13 1 66 ALA MB . . 4.920 4.525 4.145 4.831 . 0 0 "[ . 1 . 2]" 1
619 1 59 ILE HG13 1 69 VAL MG1 . . 4.820 3.797 3.509 4.229 . 0 0 "[ . 1 . 2]" 1
620 1 59 ILE HG13 1 69 VAL MG2 . . 3.530 2.550 2.219 2.939 . 0 0 "[ . 1 . 2]" 1
621 1 59 ILE MG 1 60 MET H . . 4.020 3.261 2.989 3.469 . 0 0 "[ . 1 . 2]" 1
622 1 59 ILE MG 1 60 MET HA . . 3.970 3.416 3.093 3.597 . 0 0 "[ . 1 . 2]" 1
623 1 59 ILE MG 1 61 ALA H . . 5.050 4.663 4.368 4.939 . 0 0 "[ . 1 . 2]" 1
624 1 59 ILE MG 1 63 PRO HA . . 3.490 2.820 2.331 3.125 . 0 0 "[ . 1 . 2]" 1
625 1 59 ILE MG 1 63 PRO QB . . 4.420 4.178 3.648 4.422 0.002 6 0 "[ . 1 . 2]" 1
626 1 59 ILE MG 1 65 LYS QB . . 4.850 3.650 3.335 4.063 . 0 0 "[ . 1 . 2]" 1
627 1 59 ILE MG 1 66 ALA H . . 4.280 2.794 2.471 3.218 . 0 0 "[ . 1 . 2]" 1
628 1 59 ILE MG 1 66 ALA HA . . 3.630 2.598 2.086 3.105 . 0 0 "[ . 1 . 2]" 1
629 1 59 ILE MG 1 66 ALA MB . . 3.050 1.913 1.772 2.035 . 0 0 "[ . 1 . 2]" 1
630 1 59 ILE MG 1 70 TYR QE . . 4.660 4.047 3.579 4.482 . 0 0 "[ . 1 . 2]" 1
631 1 59 ILE MG 1 98 VAL HA . . 4.410 3.330 2.745 3.904 . 0 0 "[ . 1 . 2]" 1
632 1 59 ILE MG 1 98 VAL MG1 . . 3.250 3.063 2.446 3.251 0.001 7 0 "[ . 1 . 2]" 1
633 1 59 ILE MG 1 98 VAL MG2 . . 3.130 2.464 1.859 2.949 . 0 0 "[ . 1 . 2]" 1
634 1 60 MET H 1 60 MET HB2 . . 3.450 2.668 2.511 2.777 . 0 0 "[ . 1 . 2]" 1
635 1 60 MET H 1 60 MET ME . . 4.830 4.586 4.128 4.803 . 0 0 "[ . 1 . 2]" 1
636 1 60 MET H 1 60 MET HG2 . . 3.760 2.431 1.900 3.088 . 0 0 "[ . 1 . 2]" 1
637 1 60 MET H 1 60 MET HG3 . . 3.760 2.688 1.900 3.357 . 0 0 "[ . 1 . 2]" 1
638 1 60 MET H 1 61 ALA H . . 3.520 2.970 2.783 3.203 . 0 0 "[ . 1 . 2]" 1
639 1 60 MET H 1 61 ALA MB . . 5.500 4.674 4.519 4.832 . 0 0 "[ . 1 . 2]" 1
640 1 60 MET H 1 98 VAL MG1 . . 5.500 4.861 4.389 5.240 . 0 0 "[ . 1 . 2]" 1
641 1 60 MET H 1 98 VAL MG2 . . 4.360 3.352 2.828 3.674 . 0 0 "[ . 1 . 2]" 1
642 1 60 MET HA 1 60 MET ME . . 4.330 4.189 3.772 4.331 0.001 2 0 "[ . 1 . 2]" 1
643 1 60 MET HA 1 60 MET HG2 . . 3.960 2.639 2.409 2.833 . 0 0 "[ . 1 . 2]" 1
644 1 60 MET HA 1 60 MET QG . . 3.390 2.568 2.355 2.759 . 0 0 "[ . 1 . 2]" 1
645 1 60 MET HA 1 60 MET HG3 . . 3.960 3.543 3.143 3.803 . 0 0 "[ . 1 . 2]" 1
646 1 60 MET HB2 1 61 ALA H . . 3.790 2.608 2.217 3.093 . 0 0 "[ . 1 . 2]" 1
647 1 60 MET HB2 1 98 VAL MG2 . . 5.500 4.810 4.133 5.320 . 0 0 "[ . 1 . 2]" 1
648 1 60 MET HB3 1 98 VAL MG2 . . 5.500 4.719 3.968 5.202 . 0 0 "[ . 1 . 2]" 1
649 1 60 MET ME 1 60 MET QG . . 3.340 2.163 1.979 2.519 . 0 0 "[ . 1 . 2]" 1
650 1 60 MET ME 1 94 LYS HE2 . . 5.000 4.192 2.861 5.002 0.002 2 0 "[ . 1 . 2]" 1
651 1 60 MET ME 1 94 LYS QE . . 4.150 3.316 2.248 4.141 . 0 0 "[ . 1 . 2]" 1
652 1 60 MET ME 1 94 LYS HE3 . . 5.000 3.669 2.266 5.000 0.000 10 0 "[ . 1 . 2]" 1
653 1 60 MET ME 1 94 LYS HG2 . . 4.230 3.469 2.091 4.230 . 0 0 "[ . 1 . 2]" 1
654 1 60 MET ME 1 94 LYS QG . . 3.430 2.851 1.998 3.417 . 0 0 "[ . 1 . 2]" 1
655 1 60 MET ME 1 94 LYS HG3 . . 4.230 3.329 2.536 4.173 . 0 0 "[ . 1 . 2]" 1
656 1 60 MET ME 1 95 TYR HA . . 4.040 2.987 1.943 4.015 . 0 0 "[ . 1 . 2]" 1
657 1 60 MET ME 1 95 TYR QD . . 3.730 2.874 2.064 3.540 . 0 0 "[ . 1 . 2]" 1
658 1 60 MET ME 1 95 TYR QE . . 3.700 2.849 1.997 3.698 . 0 0 "[ . 1 . 2]" 1
659 1 60 MET ME 1 98 VAL MG2 . . 3.820 3.477 2.796 3.822 0.002 6 0 "[ . 1 . 2]" 1
660 1 60 MET QG 1 61 ALA H . . 4.590 3.980 3.838 4.201 . 0 0 "[ . 1 . 2]" 1
661 1 60 MET QG 1 95 TYR QD . . 3.910 3.174 2.371 3.599 . 0 0 "[ . 1 . 2]" 1
662 1 60 MET QG 1 95 TYR QE . . 4.050 2.985 2.059 3.868 . 0 0 "[ . 1 . 2]" 1
663 1 60 MET QG 1 98 VAL MG2 . . 3.270 2.606 1.822 3.183 . 0 0 "[ . 1 . 2]" 1
664 1 60 MET HG2 1 95 TYR QD . . 4.630 3.534 2.528 4.012 . 0 0 "[ . 1 . 2]" 1
665 1 60 MET HG2 1 95 TYR QE . . 4.730 3.887 2.535 4.666 . 0 0 "[ . 1 . 2]" 1
666 1 60 MET HG2 1 98 VAL MG2 . . 3.750 2.702 1.863 3.440 . 0 0 "[ . 1 . 2]" 1
667 1 60 MET HG3 1 95 TYR QD . . 4.630 3.635 2.866 4.206 . 0 0 "[ . 1 . 2]" 1
668 1 60 MET HG3 1 95 TYR QE . . 4.730 3.123 2.099 4.130 . 0 0 "[ . 1 . 2]" 1
669 1 60 MET HG3 1 98 VAL MG2 . . 3.750 3.535 2.570 3.754 0.004 8 0 "[ . 1 . 2]" 1
670 1 61 ALA H 1 61 ALA MB . . 2.930 2.256 2.093 2.379 . 0 0 "[ . 1 . 2]" 1
671 1 61 ALA H 1 62 ASP H . . 3.220 2.577 2.247 2.877 . 0 0 "[ . 1 . 2]" 1
672 1 61 ALA MB 1 62 ASP H . . 3.330 2.295 1.942 2.727 . 0 0 "[ . 1 . 2]" 1
673 1 61 ALA MB 1 62 ASP QB . . 4.520 3.650 3.281 4.165 . 0 0 "[ . 1 . 2]" 1
674 1 62 ASP H 1 62 ASP HB2 . . 4.010 2.466 2.289 2.719 . 0 0 "[ . 1 . 2]" 1
675 1 62 ASP H 1 62 ASP QB . . 3.510 2.414 2.263 2.640 . 0 0 "[ . 1 . 2]" 1
676 1 62 ASP H 1 62 ASP HB3 . . 4.010 3.589 2.667 3.737 . 0 0 "[ . 1 . 2]" 1
677 1 62 ASP H 1 63 PRO HD2 . . 4.830 4.689 4.346 4.820 . 0 0 "[ . 1 . 2]" 1
678 1 62 ASP H 1 63 PRO QD . . 4.190 4.042 3.549 4.250 0.060 2 0 "[ . 1 . 2]" 1
679 1 62 ASP H 1 63 PRO HD3 . . 4.830 4.425 3.763 4.724 . 0 0 "[ . 1 . 2]" 1
680 1 62 ASP HA 1 63 PRO HD2 . . 3.390 2.000 1.912 2.167 . 0 0 "[ . 1 . 2]" 1
681 1 62 ASP HA 1 63 PRO QD . . 2.940 1.896 1.851 1.966 . 0 0 "[ . 1 . 2]" 1
682 1 62 ASP HA 1 63 PRO HD3 . . 3.390 2.400 2.251 2.720 . 0 0 "[ . 1 . 2]" 1
683 1 62 ASP HA 1 63 PRO HG2 . . 4.520 4.188 4.116 4.326 . 0 0 "[ . 1 . 2]" 1
684 1 62 ASP HA 1 63 PRO QG . . 3.960 3.802 3.766 3.866 . 0 0 "[ . 1 . 2]" 1
685 1 62 ASP HA 1 63 PRO HG3 . . 4.520 4.365 4.315 4.518 . 0 0 "[ . 1 . 2]" 1
686 1 62 ASP HA 1 64 ASN H . . 4.420 3.742 3.262 4.238 . 0 0 "[ . 1 . 2]" 1
687 1 62 ASP QB 1 63 PRO QD . . 4.110 3.159 2.610 3.698 . 0 0 "[ . 1 . 2]" 1
688 1 62 ASP QB 1 65 LYS H . . 4.220 2.874 2.569 3.184 . 0 0 "[ . 1 . 2]" 1
689 1 62 ASP QB 1 65 LYS QB . . 4.670 2.944 2.307 3.538 . 0 0 "[ . 1 . 2]" 1
690 1 62 ASP QB 1 65 LYS QG . . 3.270 2.462 1.731 3.120 . 0 0 "[ . 1 . 2]" 1
691 1 62 ASP HB2 1 65 LYS H . . 4.880 3.777 3.219 4.827 . 0 0 "[ . 1 . 2]" 1
692 1 62 ASP HB2 1 65 LYS HG2 . . 4.600 3.460 2.459 4.595 . 0 0 "[ . 1 . 2]" 1
693 1 62 ASP HB2 1 65 LYS HG3 . . 4.600 2.975 2.091 4.067 . 0 0 "[ . 1 . 2]" 1
694 1 62 ASP HB3 1 65 LYS H . . 4.880 3.027 2.603 3.637 . 0 0 "[ . 1 . 2]" 1
695 1 62 ASP HB3 1 65 LYS HG2 . . 4.600 3.229 2.027 4.191 . 0 0 "[ . 1 . 2]" 1
696 1 62 ASP HB3 1 65 LYS HG3 . . 4.600 3.546 2.153 4.583 . 0 0 "[ . 1 . 2]" 1
697 1 63 PRO HA 1 65 LYS H . . 4.480 4.057 3.638 4.459 . 0 0 "[ . 1 . 2]" 1
698 1 63 PRO HA 1 66 ALA H . . 4.600 3.405 3.238 3.678 . 0 0 "[ . 1 . 2]" 1
699 1 63 PRO HA 1 66 ALA MB . . 4.140 2.902 2.588 3.246 . 0 0 "[ . 1 . 2]" 1
700 1 63 PRO QB 1 64 ASN H . . 3.880 3.205 2.871 3.728 . 0 0 "[ . 1 . 2]" 1
701 1 63 PRO QB 1 66 ALA MB . . 4.250 3.869 3.629 4.125 . 0 0 "[ . 1 . 2]" 1
702 1 63 PRO HB2 1 64 ASN H . . 4.630 3.341 2.953 3.974 . 0 0 "[ . 1 . 2]" 1
703 1 63 PRO HB2 1 66 ALA MB . . 5.100 4.222 3.941 4.538 . 0 0 "[ . 1 . 2]" 1
704 1 63 PRO HB3 1 64 ASN H . . 4.630 4.145 3.921 4.510 . 0 0 "[ . 1 . 2]" 1
705 1 63 PRO HB3 1 66 ALA MB . . 5.100 4.493 4.212 4.737 . 0 0 "[ . 1 . 2]" 1
706 1 63 PRO QD 1 64 ASN H . . 3.900 2.653 2.602 2.958 . 0 0 "[ . 1 . 2]" 1
707 1 63 PRO HD2 1 64 ASN H . . 4.610 2.702 2.647 3.041 . 0 0 "[ . 1 . 2]" 1
708 1 63 PRO HD3 1 64 ASN H . . 4.610 3.864 3.836 4.050 . 0 0 "[ . 1 . 2]" 1
709 1 63 PRO QG 1 64 ASN H . . 4.230 2.387 1.956 3.289 . 0 0 "[ . 1 . 2]" 1
710 1 64 ASN H 1 64 ASN HB2 . . 3.770 2.732 2.197 3.566 . 0 0 "[ . 1 . 2]" 1
711 1 64 ASN H 1 64 ASN QB . . 3.150 2.553 2.145 2.815 . 0 0 "[ . 1 . 2]" 1
712 1 64 ASN H 1 64 ASN HB3 . . 3.770 3.440 2.775 3.652 . 0 0 "[ . 1 . 2]" 1
713 1 64 ASN H 1 64 ASN QD . . 3.860 3.105 1.795 3.861 0.001 3 0 "[ . 1 . 2]" 1
714 1 64 ASN H 1 66 ALA H . . 5.010 4.231 3.956 4.436 . 0 0 "[ . 1 . 2]" 1
715 1 64 ASN HA 1 66 ALA H . . 4.380 4.210 3.806 4.381 0.001 6 0 "[ . 1 . 2]" 1
716 1 64 ASN QB 1 65 LYS H . . 4.030 2.851 2.342 3.656 . 0 0 "[ . 1 . 2]" 1
717 1 64 ASN HB2 1 65 LYS H . . 4.900 2.997 2.367 3.919 . 0 0 "[ . 1 . 2]" 1
718 1 64 ASN HB3 1 65 LYS H . . 4.900 3.842 2.609 4.373 . 0 0 "[ . 1 . 2]" 1
719 1 65 LYS H 1 65 LYS HB2 . . 3.700 2.312 2.190 2.658 . 0 0 "[ . 1 . 2]" 1
720 1 65 LYS H 1 65 LYS QB . . 3.140 2.282 2.168 2.591 . 0 0 "[ . 1 . 2]" 1
721 1 65 LYS H 1 65 LYS HB3 . . 3.700 3.539 3.496 3.588 . 0 0 "[ . 1 . 2]" 1
722 1 65 LYS H 1 65 LYS HD2 . . 5.500 4.798 3.725 5.298 . 0 0 "[ . 1 . 2]" 1
723 1 65 LYS H 1 65 LYS HD3 . . 5.500 4.678 4.175 5.307 . 0 0 "[ . 1 . 2]" 1
724 1 65 LYS H 1 65 LYS HG2 . . 4.000 2.660 1.900 3.119 . 0 0 "[ . 1 . 2]" 1
725 1 65 LYS H 1 65 LYS HG3 . . 4.000 3.636 3.162 3.857 . 0 0 "[ . 1 . 2]" 1
726 1 65 LYS H 1 66 ALA H . . 3.430 2.613 2.313 2.827 . 0 0 "[ . 1 . 2]" 1
727 1 65 LYS H 1 66 ALA MB . . 4.740 4.195 4.005 4.420 . 0 0 "[ . 1 . 2]" 1
728 1 65 LYS HA 1 65 LYS HD2 . . 4.250 3.258 2.059 4.211 . 0 0 "[ . 1 . 2]" 1
729 1 65 LYS HA 1 65 LYS QD . . 3.610 2.418 1.989 3.105 . 0 0 "[ . 1 . 2]" 1
730 1 65 LYS HA 1 65 LYS HD3 . . 4.250 2.933 2.000 3.620 . 0 0 "[ . 1 . 2]" 1
731 1 65 LYS HA 1 65 LYS HE2 . . 5.220 3.731 1.998 4.588 . 0 0 "[ . 1 . 2]" 1
732 1 65 LYS HA 1 65 LYS QE . . 4.420 3.142 1.893 4.142 . 0 0 "[ . 1 . 2]" 1
733 1 65 LYS HA 1 65 LYS HE3 . . 5.220 3.592 1.992 4.717 . 0 0 "[ . 1 . 2]" 1
734 1 65 LYS HA 1 65 LYS HG2 . . 3.970 2.634 2.461 2.964 . 0 0 "[ . 1 . 2]" 1
735 1 65 LYS HA 1 65 LYS QG . . 3.300 2.579 2.424 2.864 . 0 0 "[ . 1 . 2]" 1
736 1 65 LYS HA 1 65 LYS HG3 . . 3.970 3.694 3.636 3.864 . 0 0 "[ . 1 . 2]" 1
737 1 65 LYS HA 1 68 GLU H . . 4.220 3.553 3.387 3.848 . 0 0 "[ . 1 . 2]" 1
738 1 65 LYS HA 1 68 GLU QB . . 4.110 3.090 2.592 4.069 . 0 0 "[ . 1 . 2]" 1
739 1 65 LYS HA 1 69 VAL H . . 4.600 4.056 3.745 4.489 . 0 0 "[ . 1 . 2]" 1
740 1 65 LYS HA 1 69 VAL MG2 . . 4.640 3.930 3.482 4.499 . 0 0 "[ . 1 . 2]" 1
741 1 65 LYS QB 1 65 LYS QE . . 4.510 2.993 1.967 3.786 . 0 0 "[ . 1 . 2]" 1
742 1 65 LYS QB 1 66 ALA H . . 3.960 2.717 2.587 2.925 . 0 0 "[ . 1 . 2]" 1
743 1 65 LYS QB 1 66 ALA MB . . 5.130 4.076 3.981 4.272 . 0 0 "[ . 1 . 2]" 1
744 1 65 LYS QB 1 69 VAL MG2 . . 3.510 2.689 2.340 3.184 . 0 0 "[ . 1 . 2]" 1
745 1 65 LYS HB2 1 66 ALA H . . 4.670 2.830 2.651 3.011 . 0 0 "[ . 1 . 2]" 1
746 1 65 LYS HB2 1 69 VAL MG2 . . 4.350 3.931 3.356 4.245 . 0 0 "[ . 1 . 2]" 1
747 1 65 LYS HB3 1 66 ALA H . . 4.670 3.541 3.298 3.972 . 0 0 "[ . 1 . 2]" 1
748 1 65 LYS HB3 1 69 VAL MG2 . . 4.350 2.745 2.366 3.305 . 0 0 "[ . 1 . 2]" 1
749 1 65 LYS QD 1 69 VAL MG2 . . 4.570 3.565 2.900 4.569 . 0 0 "[ . 1 . 2]" 1
750 1 65 LYS QE 1 65 LYS QG . . 3.270 2.243 2.035 2.621 . 0 0 "[ . 1 . 2]" 1
751 1 65 LYS QE 1 68 GLU QG . . 3.960 3.736 3.172 3.971 0.011 14 0 "[ . 1 . 2]" 1
752 1 65 LYS QG 1 66 ALA H . . 4.390 4.270 3.878 4.397 0.007 3 0 "[ . 1 . 2]" 1
753 1 65 LYS HG2 1 66 ALA H . . 5.150 4.622 4.149 4.782 . 0 0 "[ . 1 . 2]" 1
754 1 65 LYS HG3 1 66 ALA H . . 5.150 5.025 4.650 5.167 0.017 14 0 "[ . 1 . 2]" 1
755 1 66 ALA H 1 66 ALA MB . . 3.020 2.126 2.032 2.272 . 0 0 "[ . 1 . 2]" 1
756 1 66 ALA H 1 67 ASP H . . 3.900 3.098 2.702 3.266 . 0 0 "[ . 1 . 2]" 1
757 1 66 ALA HA 1 68 GLU H . . 4.870 4.701 4.207 4.888 0.018 14 0 "[ . 1 . 2]" 1
758 1 66 ALA HA 1 69 VAL H . . 4.770 3.764 3.398 4.020 . 0 0 "[ . 1 . 2]" 1
759 1 66 ALA HA 1 69 VAL HB . . 3.660 2.714 2.459 3.319 . 0 0 "[ . 1 . 2]" 1
760 1 66 ALA HA 1 69 VAL MG2 . . 3.470 3.127 2.653 3.453 . 0 0 "[ . 1 . 2]" 1
761 1 66 ALA HA 1 70 TYR H . . 4.430 3.619 3.413 4.132 . 0 0 "[ . 1 . 2]" 1
762 1 66 ALA MB 1 67 ASP H . . 3.260 2.219 1.976 2.487 . 0 0 "[ . 1 . 2]" 1
763 1 66 ALA MB 1 67 ASP HA . . 3.900 3.640 3.556 3.745 . 0 0 "[ . 1 . 2]" 1
764 1 66 ALA MB 1 67 ASP HB2 . . 5.320 4.451 3.757 5.179 . 0 0 "[ . 1 . 2]" 1
765 1 66 ALA MB 1 67 ASP QB . . 4.480 4.051 3.611 4.335 . 0 0 "[ . 1 . 2]" 1
766 1 66 ALA MB 1 67 ASP HB3 . . 5.320 4.840 4.102 5.298 . 0 0 "[ . 1 . 2]" 1
767 1 66 ALA MB 1 68 GLU H . . 5.100 4.567 4.316 4.773 . 0 0 "[ . 1 . 2]" 1
768 1 66 ALA MB 1 70 TYR QB . . 5.340 4.614 4.351 4.902 . 0 0 "[ . 1 . 2]" 1
769 1 66 ALA MB 1 70 TYR QD . . 4.660 3.286 2.909 3.696 . 0 0 "[ . 1 . 2]" 1
770 1 66 ALA MB 1 70 TYR QE . . 3.430 2.118 1.826 2.490 . 0 0 "[ . 1 . 2]" 1
771 1 67 ASP H 1 67 ASP HB2 . . 3.670 2.691 2.194 3.585 . 0 0 "[ . 1 . 2]" 1
772 1 67 ASP H 1 67 ASP QB . . 3.020 2.456 2.141 2.819 . 0 0 "[ . 1 . 2]" 1
773 1 67 ASP H 1 67 ASP HB3 . . 3.670 3.245 2.232 3.608 . 0 0 "[ . 1 . 2]" 1
774 1 67 ASP H 1 68 GLU H . . 3.550 3.036 2.878 3.162 . 0 0 "[ . 1 . 2]" 1
775 1 67 ASP HA 1 69 VAL H . . 5.210 4.971 4.536 5.195 . 0 0 "[ . 1 . 2]" 1
776 1 67 ASP HA 1 70 TYR H . . 4.270 4.130 3.854 4.268 . 0 0 "[ . 1 . 2]" 1
777 1 67 ASP HA 1 70 TYR QB . . 3.880 3.052 2.705 3.286 . 0 0 "[ . 1 . 2]" 1
778 1 67 ASP HA 1 70 TYR QD . . 3.950 2.134 2.000 2.355 . 0 0 "[ . 1 . 2]" 1
779 1 67 ASP HA 1 70 TYR QE . . 4.130 3.809 3.440 4.133 0.003 14 0 "[ . 1 . 2]" 1
780 1 67 ASP HA 1 71 LYS H . . 4.720 4.482 4.124 4.713 . 0 0 "[ . 1 . 2]" 1
781 1 67 ASP QB 1 68 GLU H . . 3.380 2.418 2.141 2.932 . 0 0 "[ . 1 . 2]" 1
782 1 67 ASP HB2 1 68 GLU H . . 4.140 2.795 2.243 3.886 . 0 0 "[ . 1 . 2]" 1
783 1 67 ASP HB2 1 68 GLU HA . . 5.500 4.568 3.950 5.500 . 0 0 "[ . 1 . 2]" 1
784 1 67 ASP HB3 1 68 GLU H . . 4.140 3.166 2.163 3.926 . 0 0 "[ . 1 . 2]" 1
785 1 67 ASP HB3 1 68 GLU HA . . 5.500 4.444 3.902 5.504 0.004 13 0 "[ . 1 . 2]" 1
786 1 68 GLU H 1 68 GLU HB2 . . 3.650 2.665 2.364 3.591 . 0 0 "[ . 1 . 2]" 1
787 1 68 GLU H 1 68 GLU QB . . 3.130 2.401 2.215 2.600 . 0 0 "[ . 1 . 2]" 1
788 1 68 GLU H 1 68 GLU HB3 . . 3.650 3.009 2.351 3.600 . 0 0 "[ . 1 . 2]" 1
789 1 68 GLU H 1 68 GLU HG2 . . 4.690 3.146 1.882 4.605 . 0 0 "[ . 1 . 2]" 1
790 1 68 GLU H 1 68 GLU QG . . 4.050 2.896 1.873 4.053 0.003 4 0 "[ . 1 . 2]" 1
791 1 68 GLU H 1 68 GLU HG3 . . 4.690 3.855 3.189 4.521 . 0 0 "[ . 1 . 2]" 1
792 1 68 GLU H 1 69 VAL H . . 3.520 2.915 2.728 3.056 . 0 0 "[ . 1 . 2]" 1
793 1 68 GLU H 1 69 VAL HB . . 5.500 4.961 4.745 5.240 . 0 0 "[ . 1 . 2]" 1
794 1 68 GLU H 1 69 VAL MG2 . . 4.580 4.394 4.211 4.582 0.002 17 0 "[ . 1 . 2]" 1
795 1 68 GLU HA 1 68 GLU HG2 . . 3.940 3.299 2.329 3.879 . 0 0 "[ . 1 . 2]" 1
796 1 68 GLU HA 1 68 GLU HG3 . . 3.940 3.435 2.536 3.943 0.003 14 0 "[ . 1 . 2]" 1
797 1 68 GLU HA 1 69 VAL HA . . 5.230 4.854 4.785 4.889 . 0 0 "[ . 1 . 2]" 1
798 1 68 GLU HA 1 71 LYS H . . 4.170 3.864 3.695 3.983 . 0 0 "[ . 1 . 2]" 1
799 1 68 GLU HA 1 71 LYS HB2 . . 3.600 3.133 2.941 3.272 . 0 0 "[ . 1 . 2]" 1
800 1 68 GLU HA 1 71 LYS QD . . 3.910 3.176 2.285 3.832 . 0 0 "[ . 1 . 2]" 1
801 1 68 GLU HA 1 71 LYS QE . . 5.340 4.520 2.030 5.309 . 0 0 "[ . 1 . 2]" 1
802 1 68 GLU QB 1 69 VAL MG2 . . 3.560 3.198 2.919 3.602 0.042 14 0 "[ . 1 . 2]" 1
803 1 68 GLU HB2 1 69 VAL H . . 3.940 2.973 2.064 3.847 . 0 0 "[ . 1 . 2]" 1
804 1 68 GLU HB3 1 69 VAL H . . 3.940 2.900 2.108 3.891 . 0 0 "[ . 1 . 2]" 1
805 1 68 GLU QG 1 69 VAL MG2 . . 4.580 3.898 1.951 4.570 . 0 0 "[ . 1 . 2]" 1
806 1 68 GLU HG2 1 69 VAL H . . 4.590 3.883 2.122 4.330 . 0 0 "[ . 1 . 2]" 1
807 1 68 GLU HG2 1 69 VAL MG2 . . 5.380 4.574 2.991 5.272 . 0 0 "[ . 1 . 2]" 1
808 1 68 GLU HG3 1 69 VAL H . . 4.590 3.837 1.900 4.534 . 0 0 "[ . 1 . 2]" 1
809 1 68 GLU HG3 1 69 VAL MG2 . . 5.380 4.353 1.972 5.127 . 0 0 "[ . 1 . 2]" 1
810 1 69 VAL H 1 69 VAL HB . . 3.360 2.579 2.420 2.686 . 0 0 "[ . 1 . 2]" 1
811 1 69 VAL H 1 69 VAL MG1 . . 4.140 3.767 3.742 3.778 . 0 0 "[ . 1 . 2]" 1
812 1 69 VAL H 1 69 VAL MG2 . . 3.190 2.101 1.870 2.389 . 0 0 "[ . 1 . 2]" 1
813 1 69 VAL H 1 70 TYR H . . 3.670 3.067 2.935 3.171 . 0 0 "[ . 1 . 2]" 1
814 1 69 VAL HA 1 69 VAL MG1 . . 3.450 2.364 2.232 2.446 . 0 0 "[ . 1 . 2]" 1
815 1 69 VAL HA 1 69 VAL MG2 . . 3.230 2.335 2.180 2.461 . 0 0 "[ . 1 . 2]" 1
816 1 69 VAL HA 1 71 LYS H . . 5.450 4.453 4.014 4.718 . 0 0 "[ . 1 . 2]" 1
817 1 69 VAL HA 1 72 LYS H . . 4.030 3.304 3.074 3.494 . 0 0 "[ . 1 . 2]" 1
818 1 69 VAL HA 1 72 LYS HB2 . . 4.260 2.383 2.105 2.642 . 0 0 "[ . 1 . 2]" 1
819 1 69 VAL HA 1 72 LYS QB . . 3.610 2.364 2.094 2.617 . 0 0 "[ . 1 . 2]" 1
820 1 69 VAL HA 1 72 LYS HB3 . . 4.260 3.957 3.691 4.234 . 0 0 "[ . 1 . 2]" 1
821 1 69 VAL HA 1 72 LYS HD2 . . 4.720 3.052 2.072 4.277 . 0 0 "[ . 1 . 2]" 1
822 1 69 VAL HA 1 72 LYS QD . . 3.950 2.680 2.004 3.920 . 0 0 "[ . 1 . 2]" 1
823 1 69 VAL HA 1 72 LYS HD3 . . 4.720 3.548 2.038 4.720 . 0 0 "[ . 1 . 2]" 1
824 1 69 VAL HA 1 72 LYS HG2 . . 4.740 4.421 3.653 4.731 . 0 0 "[ . 1 . 2]" 1
825 1 69 VAL HA 1 72 LYS QG . . 4.000 3.179 2.537 3.754 . 0 0 "[ . 1 . 2]" 1
826 1 69 VAL HA 1 72 LYS HG3 . . 4.740 3.367 2.559 4.746 0.006 8 0 "[ . 1 . 2]" 1
827 1 69 VAL HB 1 70 TYR H . . 3.660 2.187 2.067 2.270 . 0 0 "[ . 1 . 2]" 1
828 1 69 VAL MG1 1 70 TYR H . . 4.300 2.971 2.773 3.148 . 0 0 "[ . 1 . 2]" 1
829 1 69 VAL MG1 1 70 TYR HA . . 5.110 3.270 3.087 3.522 . 0 0 "[ . 1 . 2]" 1
830 1 69 VAL MG1 1 70 TYR QD . . 4.410 3.669 2.899 4.046 . 0 0 "[ . 1 . 2]" 1
831 1 69 VAL MG1 1 70 TYR QE . . 4.810 4.433 3.828 4.813 0.003 14 0 "[ . 1 . 2]" 1
832 1 69 VAL MG1 1 73 TRP HD1 . . 5.000 4.112 3.647 4.273 . 0 0 "[ . 1 . 2]" 1
833 1 69 VAL MG1 1 73 TRP HE1 . . 4.050 3.523 3.073 3.781 . 0 0 "[ . 1 . 2]" 1
834 1 69 VAL MG1 1 73 TRP HH2 . . 4.960 2.988 2.688 3.223 . 0 0 "[ . 1 . 2]" 1
835 1 69 VAL MG1 1 73 TRP HZ2 . . 3.950 2.958 2.591 3.197 . 0 0 "[ . 1 . 2]" 1
836 1 69 VAL MG1 1 73 TRP HZ3 . . 4.800 2.939 2.653 3.244 . 0 0 "[ . 1 . 2]" 1
837 1 69 VAL MG2 1 70 TYR H . . 4.220 3.714 3.566 3.785 . 0 0 "[ . 1 . 2]" 1
838 1 70 TYR H 1 70 TYR HB2 . . 3.970 2.602 2.500 2.739 . 0 0 "[ . 1 . 2]" 1
839 1 70 TYR H 1 70 TYR QB . . 3.410 2.546 2.456 2.660 . 0 0 "[ . 1 . 2]" 1
840 1 70 TYR H 1 70 TYR HB3 . . 3.970 3.618 3.600 3.626 . 0 0 "[ . 1 . 2]" 1
841 1 70 TYR H 1 70 TYR QD . . 4.140 3.124 2.781 3.235 . 0 0 "[ . 1 . 2]" 1
842 1 70 TYR H 1 70 TYR QE . . 4.770 4.417 4.119 4.585 . 0 0 "[ . 1 . 2]" 1
843 1 70 TYR H 1 71 LYS H . . 3.700 3.084 2.998 3.186 . 0 0 "[ . 1 . 2]" 1
844 1 70 TYR HA 1 70 TYR QD . . 3.330 2.012 1.993 2.117 . 0 0 "[ . 1 . 2]" 1
845 1 70 TYR HA 1 73 TRP H . . 4.510 3.914 3.627 4.211 . 0 0 "[ . 1 . 2]" 1
846 1 70 TYR HA 1 73 TRP HB2 . . 4.460 3.045 2.757 3.223 . 0 0 "[ . 1 . 2]" 1
847 1 70 TYR HA 1 73 TRP HB3 . . 4.770 4.624 4.296 4.773 0.003 14 0 "[ . 1 . 2]" 1
848 1 70 TYR HA 1 73 TRP HE3 . . 4.690 2.416 2.087 2.728 . 0 0 "[ . 1 . 2]" 1
849 1 70 TYR HA 1 74 ALA H . . 4.680 4.217 3.861 4.466 . 0 0 "[ . 1 . 2]" 1
850 1 70 TYR HA 1 102 TYR QD . . 4.290 2.854 2.360 3.337 . 0 0 "[ . 1 . 2]" 1
851 1 70 TYR HA 1 102 TYR QE . . 4.660 3.803 3.132 4.541 . 0 0 "[ . 1 . 2]" 1
852 1 70 TYR QB 1 71 LYS H . . 3.580 2.378 2.187 2.653 . 0 0 "[ . 1 . 2]" 1
853 1 70 TYR QB 1 102 TYR QD . . 3.990 3.186 2.503 3.844 . 0 0 "[ . 1 . 2]" 1
854 1 70 TYR HB2 1 71 LYS H . . 4.150 2.429 2.227 2.728 . 0 0 "[ . 1 . 2]" 1
855 1 70 TYR HB3 1 71 LYS H . . 4.150 3.391 3.160 3.627 . 0 0 "[ . 1 . 2]" 1
856 1 70 TYR QD 1 71 LYS H . . 4.660 4.293 4.168 4.484 . 0 0 "[ . 1 . 2]" 1
857 1 70 TYR QD 1 73 TRP HB2 . . 4.690 4.377 4.086 4.664 . 0 0 "[ . 1 . 2]" 1
858 1 70 TYR QD 1 73 TRP HE3 . . 3.920 2.509 2.110 2.974 . 0 0 "[ . 1 . 2]" 1
859 1 70 TYR QD 1 98 VAL MG1 . . 4.530 4.327 4.029 4.533 0.003 5 0 "[ . 1 . 2]" 1
860 1 70 TYR QD 1 102 TYR HA . . 4.270 2.892 2.233 3.325 . 0 0 "[ . 1 . 2]" 1
861 1 70 TYR QD 1 102 TYR QB . . 4.280 2.768 2.088 3.166 . 0 0 "[ . 1 . 2]" 1
862 1 70 TYR QD 1 102 TYR QD . . 3.410 2.541 2.024 3.073 . 0 0 "[ . 1 . 2]" 1
863 1 70 TYR QD 1 105 HIS HB2 . . 4.820 3.988 3.432 4.399 . 0 0 "[ . 1 . 2]" 1
864 1 70 TYR QD 1 105 HIS HB3 . . 5.330 4.388 3.890 4.759 . 0 0 "[ . 1 . 2]" 1
865 1 70 TYR QE 1 73 TRP HE3 . . 4.530 4.099 3.792 4.449 . 0 0 "[ . 1 . 2]" 1
866 1 70 TYR QE 1 98 VAL HA . . 4.620 3.636 3.316 4.046 . 0 0 "[ . 1 . 2]" 1
867 1 70 TYR QE 1 98 VAL MG1 . . 3.460 2.810 2.430 3.203 . 0 0 "[ . 1 . 2]" 1
868 1 70 TYR QE 1 98 VAL MG2 . . 5.450 4.771 4.463 5.174 . 0 0 "[ . 1 . 2]" 1
869 1 70 TYR QE 1 99 TYR HA . . 5.500 4.429 3.946 5.037 . 0 0 "[ . 1 . 2]" 1
870 1 70 TYR QE 1 101 GLY H . . 4.770 4.158 3.841 4.751 . 0 0 "[ . 1 . 2]" 1
871 1 70 TYR QE 1 101 GLY HA2 . . 4.450 4.248 4.039 4.447 . 0 0 "[ . 1 . 2]" 1
872 1 70 TYR QE 1 101 GLY HA3 . . 4.170 3.015 2.818 3.293 . 0 0 "[ . 1 . 2]" 1
873 1 70 TYR QE 1 102 TYR H . . 4.080 2.456 1.945 3.237 . 0 0 "[ . 1 . 2]" 1
874 1 70 TYR QE 1 102 TYR HB2 . . 4.510 2.721 2.013 3.230 . 0 0 "[ . 1 . 2]" 1
875 1 70 TYR QE 1 102 TYR QB . . 3.690 2.684 1.998 3.159 . 0 0 "[ . 1 . 2]" 1
876 1 70 TYR QE 1 102 TYR HB3 . . 4.510 4.134 3.354 4.482 . 0 0 "[ . 1 . 2]" 1
877 1 70 TYR HH 1 101 GLY H . . 5.080 3.415 2.407 4.478 . 0 0 "[ . 1 . 2]" 1
878 1 70 TYR HH 1 102 TYR H . . 5.140 3.739 2.343 4.971 . 0 0 "[ . 1 . 2]" 1
879 1 71 LYS H 1 71 LYS HB2 . . 3.030 2.273 2.183 2.538 . 0 0 "[ . 1 . 2]" 1
880 1 71 LYS H 1 71 LYS HD2 . . 5.080 3.543 2.216 4.636 . 0 0 "[ . 1 . 2]" 1
881 1 71 LYS H 1 71 LYS QD . . 4.470 3.024 2.071 4.162 . 0 0 "[ . 1 . 2]" 1
882 1 71 LYS H 1 71 LYS HD3 . . 5.080 3.476 2.081 5.081 0.001 14 0 "[ . 1 . 2]" 1
883 1 71 LYS H 1 71 LYS QE . . 5.340 4.362 2.040 5.248 . 0 0 "[ . 1 . 2]" 1
884 1 71 LYS H 1 71 LYS HG2 . . 4.480 3.964 3.308 4.205 . 0 0 "[ . 1 . 2]" 1
885 1 71 LYS H 1 71 LYS HG3 . . 4.480 3.122 2.116 3.967 . 0 0 "[ . 1 . 2]" 1
886 1 71 LYS H 1 72 LYS H . . 3.480 2.705 2.469 2.860 . 0 0 "[ . 1 . 2]" 1
887 1 71 LYS H 1 73 TRP H . . 4.790 4.496 4.291 4.709 . 0 0 "[ . 1 . 2]" 1
888 1 71 LYS HA 1 71 LYS HD2 . . 5.260 3.930 2.570 4.886 . 0 0 "[ . 1 . 2]" 1
889 1 71 LYS HA 1 71 LYS QD . . 4.490 3.531 2.490 4.186 . 0 0 "[ . 1 . 2]" 1
890 1 71 LYS HA 1 71 LYS HD3 . . 5.260 4.161 3.133 4.686 . 0 0 "[ . 1 . 2]" 1
891 1 71 LYS HA 1 71 LYS HG2 . . 4.110 3.061 2.441 3.618 . 0 0 "[ . 1 . 2]" 1
892 1 71 LYS HA 1 71 LYS QG . . 3.500 2.290 2.142 2.518 . 0 0 "[ . 1 . 2]" 1
893 1 71 LYS HA 1 71 LYS HG3 . . 4.110 2.509 2.162 3.078 . 0 0 "[ . 1 . 2]" 1
894 1 71 LYS HA 1 74 ALA H . . 4.470 4.016 3.551 4.348 . 0 0 "[ . 1 . 2]" 1
895 1 71 LYS HA 1 74 ALA MB . . 3.420 3.006 2.575 3.330 . 0 0 "[ . 1 . 2]" 1
896 1 71 LYS HA 1 105 HIS HE1 . . 4.240 2.913 2.122 3.726 . 0 0 "[ . 1 . 2]" 1
897 1 71 LYS HB2 1 71 LYS QD . . 3.330 2.226 2.071 2.522 . 0 0 "[ . 1 . 2]" 1
898 1 71 LYS HB2 1 72 LYS H . . 3.400 2.687 2.541 2.875 . 0 0 "[ . 1 . 2]" 1
899 1 71 LYS HB2 1 105 HIS HE1 . . 5.500 4.604 4.008 5.422 . 0 0 "[ . 1 . 2]" 1
900 1 71 LYS HB3 1 72 LYS H . . 3.830 3.315 3.080 3.659 . 0 0 "[ . 1 . 2]" 1
901 1 71 LYS HB3 1 105 HIS HE1 . . 5.500 4.505 3.845 5.466 . 0 0 "[ . 1 . 2]" 1
902 1 71 LYS QD 1 72 LYS H . . 4.860 4.454 4.225 4.784 . 0 0 "[ . 1 . 2]" 1
903 1 71 LYS QD 1 105 HIS HE1 . . 3.980 3.204 1.965 3.939 . 0 0 "[ . 1 . 2]" 1
904 1 71 LYS HD2 1 105 HIS HE1 . . 4.770 3.441 2.004 4.759 . 0 0 "[ . 1 . 2]" 1
905 1 71 LYS HD3 1 105 HIS HE1 . . 4.770 4.288 2.837 4.720 . 0 0 "[ . 1 . 2]" 1
906 1 71 LYS HE2 1 105 HIS HE1 . . 5.500 4.351 2.241 5.501 0.001 10 0 "[ . 1 . 2]" 1
907 1 71 LYS HE3 1 105 HIS HE1 . . 5.500 4.273 3.015 5.269 . 0 0 "[ . 1 . 2]" 1
908 1 71 LYS QG 1 72 LYS H . . 5.080 4.338 4.031 4.553 . 0 0 "[ . 1 . 2]" 1
909 1 71 LYS QG 1 105 HIS HE1 . . 3.980 2.200 1.817 3.103 . 0 0 "[ . 1 . 2]" 1
910 1 71 LYS HG2 1 105 HIS HE1 . . 4.750 3.161 1.999 4.617 . 0 0 "[ . 1 . 2]" 1
911 1 71 LYS HG3 1 105 HIS HE1 . . 4.750 2.352 2.000 3.154 . 0 0 "[ . 1 . 2]" 1
912 1 72 LYS H 1 72 LYS QB . . 3.210 2.353 2.210 2.476 . 0 0 "[ . 1 . 2]" 1
913 1 72 LYS H 1 72 LYS HD2 . . 5.500 4.007 1.908 4.876 . 0 0 "[ . 1 . 2]" 1
914 1 72 LYS H 1 72 LYS HD3 . . 5.500 4.480 3.058 5.121 . 0 0 "[ . 1 . 2]" 1
915 1 72 LYS H 1 72 LYS HG2 . . 4.250 3.539 2.986 4.033 . 0 0 "[ . 1 . 2]" 1
916 1 72 LYS H 1 72 LYS QG . . 3.440 2.489 2.164 3.444 0.004 8 0 "[ . 1 . 2]" 1
917 1 72 LYS H 1 72 LYS HG3 . . 4.250 2.564 2.191 3.752 . 0 0 "[ . 1 . 2]" 1
918 1 72 LYS H 1 73 TRP H . . 3.660 2.896 2.716 3.032 . 0 0 "[ . 1 . 2]" 1
919 1 72 LYS H 1 74 ALA H . . 5.040 4.660 4.191 4.867 . 0 0 "[ . 1 . 2]" 1
920 1 72 LYS HA 1 72 LYS HG2 . . 3.620 2.596 2.268 3.591 . 0 0 "[ . 1 . 2]" 1
921 1 72 LYS HA 1 72 LYS QG . . 3.150 2.336 2.226 2.432 . 0 0 "[ . 1 . 2]" 1
922 1 72 LYS HA 1 72 LYS HG3 . . 3.620 2.939 2.294 3.378 . 0 0 "[ . 1 . 2]" 1
923 1 72 LYS HA 1 75 ASP H . . 4.180 3.641 3.462 3.782 . 0 0 "[ . 1 . 2]" 1
924 1 72 LYS HA 1 75 ASP HB2 . . 3.480 2.934 2.375 3.457 . 0 0 "[ . 1 . 2]" 1
925 1 72 LYS HA 1 75 ASP HB3 . . 3.850 3.453 3.018 3.850 0.000 11 0 "[ . 1 . 2]" 1
926 1 72 LYS HA 1 76 LYS H . . 4.810 4.335 4.080 4.821 0.011 18 0 "[ . 1 . 2]" 1
927 1 72 LYS QB 1 72 LYS QD . . 3.160 2.148 2.044 2.326 . 0 0 "[ . 1 . 2]" 1
928 1 72 LYS HB2 1 73 TRP H . . 4.130 2.364 2.200 2.509 . 0 0 "[ . 1 . 2]" 1
929 1 72 LYS HB3 1 73 TRP H . . 4.130 3.171 2.935 3.535 . 0 0 "[ . 1 . 2]" 1
930 1 72 LYS QD 1 72 LYS QG . . 2.330 2.061 2.022 2.092 . 0 0 "[ . 1 . 2]" 1
931 1 72 LYS QE 1 72 LYS QG . . 3.150 2.271 2.025 2.571 . 0 0 "[ . 1 . 2]" 1
932 1 73 TRP H 1 73 TRP HB2 . . 3.930 2.359 2.237 2.420 . 0 0 "[ . 1 . 2]" 1
933 1 73 TRP H 1 73 TRP HB3 . . 4.090 3.574 3.526 3.598 . 0 0 "[ . 1 . 2]" 1
934 1 73 TRP H 1 73 TRP HD1 . . 4.260 3.719 3.524 4.034 . 0 0 "[ . 1 . 2]" 1
935 1 73 TRP H 1 74 ALA H . . 3.870 3.106 2.826 3.293 . 0 0 "[ . 1 . 2]" 1
936 1 73 TRP H 1 78 TYR QD . . 5.400 4.840 4.499 5.171 . 0 0 "[ . 1 . 2]" 1
937 1 73 TRP H 1 102 TYR QE . . 5.500 4.810 4.226 5.504 0.004 20 0 "[ . 1 . 2]" 1
938 1 73 TRP HA 1 73 TRP HD1 . . 3.370 2.030 1.999 2.118 . 0 0 "[ . 1 . 2]" 1
939 1 73 TRP HA 1 73 TRP HE1 . . 4.800 4.511 4.454 4.595 . 0 0 "[ . 1 . 2]" 1
940 1 73 TRP HA 1 76 LYS HB2 . . 4.790 2.937 2.334 3.265 . 0 0 "[ . 1 . 2]" 1
941 1 73 TRP HA 1 76 LYS QB . . 4.000 2.896 2.317 3.208 . 0 0 "[ . 1 . 2]" 1
942 1 73 TRP HA 1 76 LYS HB3 . . 4.790 4.435 3.896 4.705 . 0 0 "[ . 1 . 2]" 1
943 1 73 TRP HA 1 76 LYS HD2 . . 5.500 4.973 3.259 5.491 . 0 0 "[ . 1 . 2]" 1
944 1 73 TRP HA 1 76 LYS HD3 . . 5.500 4.683 2.171 5.501 0.001 17 0 "[ . 1 . 2]" 1
945 1 73 TRP HA 1 76 LYS HG2 . . 5.040 3.385 2.920 4.463 . 0 0 "[ . 1 . 2]" 1
946 1 73 TRP HA 1 76 LYS QG . . 4.400 2.933 2.493 4.185 . 0 0 "[ . 1 . 2]" 1
947 1 73 TRP HA 1 76 LYS HG3 . . 5.040 3.362 2.627 5.061 0.021 18 0 "[ . 1 . 2]" 1
948 1 73 TRP HA 1 78 TYR QD . . 3.790 2.414 2.074 2.768 . 0 0 "[ . 1 . 2]" 1
949 1 73 TRP HA 1 78 TYR QE . . 4.050 2.823 2.284 3.245 . 0 0 "[ . 1 . 2]" 1
950 1 73 TRP HB2 1 74 ALA H . . 4.080 2.342 2.221 2.667 . 0 0 "[ . 1 . 2]" 1
951 1 73 TRP HB2 1 78 TYR QD . . 4.920 3.969 3.558 4.254 . 0 0 "[ . 1 . 2]" 1
952 1 73 TRP HB2 1 83 MET ME . . 4.100 3.306 2.909 3.681 . 0 0 "[ . 1 . 2]" 1
953 1 73 TRP HB2 1 102 TYR QE . . 3.960 2.885 2.267 3.671 . 0 0 "[ . 1 . 2]" 1
954 1 73 TRP HB3 1 74 ALA H . . 4.290 2.911 2.702 3.496 . 0 0 "[ . 1 . 2]" 1
955 1 73 TRP HB3 1 78 TYR QD . . 3.730 2.468 2.001 2.795 . 0 0 "[ . 1 . 2]" 1
956 1 73 TRP HB3 1 78 TYR QE . . 4.740 4.386 3.901 4.707 . 0 0 "[ . 1 . 2]" 1
957 1 73 TRP HB3 1 83 MET ME . . 4.590 2.431 1.885 2.792 . 0 0 "[ . 1 . 2]" 1
958 1 73 TRP HB3 1 102 TYR QE . . 4.260 3.099 2.801 3.584 . 0 0 "[ . 1 . 2]" 1
959 1 73 TRP HD1 1 76 LYS QG . . 4.840 3.330 2.956 4.321 . 0 0 "[ . 1 . 2]" 1
960 1 73 TRP HD1 1 78 TYR QD . . 4.140 2.716 2.288 3.167 . 0 0 "[ . 1 . 2]" 1
961 1 73 TRP HD1 1 78 TYR QE . . 3.410 2.222 2.005 2.563 . 0 0 "[ . 1 . 2]" 1
962 1 73 TRP HE1 1 78 TYR QD . . 5.210 4.772 4.396 5.155 . 0 0 "[ . 1 . 2]" 1
963 1 73 TRP HE1 1 78 TYR QE . . 4.500 4.109 3.694 4.369 . 0 0 "[ . 1 . 2]" 1
964 1 73 TRP HE3 1 83 MET ME . . 3.820 2.979 2.349 3.343 . 0 0 "[ . 1 . 2]" 1
965 1 73 TRP HE3 1 98 VAL MG1 . . 4.970 4.617 4.209 4.816 . 0 0 "[ . 1 . 2]" 1
966 1 73 TRP HE3 1 102 TYR QB . . 4.760 3.246 2.860 3.537 . 0 0 "[ . 1 . 2]" 1
967 1 73 TRP HE3 1 102 TYR QD . . 3.880 2.893 2.345 3.458 . 0 0 "[ . 1 . 2]" 1
968 1 73 TRP HH2 1 87 LEU MD1 . . 4.520 3.416 2.864 3.731 . 0 0 "[ . 1 . 2]" 1
969 1 73 TRP HH2 1 87 LEU MD2 . . 4.240 3.552 2.691 4.241 0.001 20 0 "[ . 1 . 2]" 1
970 1 73 TRP HH2 1 98 VAL MG1 . . 3.140 2.097 1.862 2.374 . 0 0 "[ . 1 . 2]" 1
971 1 73 TRP HZ2 1 83 MET ME . . 5.160 4.271 3.728 4.921 . 0 0 "[ . 1 . 2]" 1
972 1 73 TRP HZ2 1 87 LEU MD1 . . 4.670 4.292 3.643 4.670 . 0 0 "[ . 1 . 2]" 1
973 1 73 TRP HZ2 1 98 VAL MG1 . . 4.400 3.940 3.524 4.326 . 0 0 "[ . 1 . 2]" 1
974 1 73 TRP HZ3 1 87 LEU MD1 . . 4.480 3.958 3.412 4.440 . 0 0 "[ . 1 . 2]" 1
975 1 73 TRP HZ3 1 98 VAL MG1 . . 4.080 2.602 2.207 2.829 . 0 0 "[ . 1 . 2]" 1
976 1 73 TRP HZ3 1 99 TYR HA . . 5.190 4.728 4.329 5.164 . 0 0 "[ . 1 . 2]" 1
977 1 73 TRP HZ3 1 102 TYR H . . 4.790 4.359 3.953 4.790 0.000 7 0 "[ . 1 . 2]" 1
978 1 73 TRP HZ3 1 102 TYR QB . . 4.020 2.979 2.309 3.579 . 0 0 "[ . 1 . 2]" 1
979 1 74 ALA H 1 74 ALA MB . . 3.170 2.142 2.046 2.260 . 0 0 "[ . 1 . 2]" 1
980 1 74 ALA H 1 75 ASP H . . 3.810 2.892 2.664 3.027 . 0 0 "[ . 1 . 2]" 1
981 1 74 ALA H 1 76 LYS H . . 4.870 4.421 4.255 4.711 . 0 0 "[ . 1 . 2]" 1
982 1 74 ALA H 1 102 TYR QE . . 3.950 2.586 2.264 2.971 . 0 0 "[ . 1 . 2]" 1
983 1 74 ALA HA 1 77 GLY H . . 3.990 3.651 3.379 3.928 . 0 0 "[ . 1 . 2]" 1
984 1 74 ALA HA 1 78 TYR H . . 3.950 3.266 2.868 3.506 . 0 0 "[ . 1 . 2]" 1
985 1 74 ALA HA 1 102 TYR QE . . 4.630 3.351 2.606 3.990 . 0 0 "[ . 1 . 2]" 1
986 1 74 ALA HA 1 106 LEU QD . . 3.990 3.449 2.964 3.953 . 0 0 "[ . 1 . 2]" 1
987 1 74 ALA MB 1 75 ASP H . . 3.510 2.661 2.435 2.796 . 0 0 "[ . 1 . 2]" 1
988 1 74 ALA MB 1 75 ASP HB2 . . 4.500 4.150 3.811 4.463 . 0 0 "[ . 1 . 2]" 1
989 1 74 ALA MB 1 76 LYS H . . 4.960 4.636 4.494 4.838 . 0 0 "[ . 1 . 2]" 1
990 1 74 ALA MB 1 77 GLY H . . 5.020 4.738 4.550 4.879 . 0 0 "[ . 1 . 2]" 1
991 1 74 ALA MB 1 102 TYR QE . . 3.730 2.691 2.192 3.207 . 0 0 "[ . 1 . 2]" 1
992 1 74 ALA MB 1 105 HIS HD2 . . 3.690 2.684 2.221 3.154 . 0 0 "[ . 1 . 2]" 1
993 1 74 ALA MB 1 106 LEU QD . . 3.120 2.592 2.005 3.123 0.003 18 0 "[ . 1 . 2]" 1
994 1 75 ASP H 1 75 ASP HB2 . . 3.430 2.272 2.185 2.489 . 0 0 "[ . 1 . 2]" 1
995 1 75 ASP H 1 75 ASP HB3 . . 3.560 3.041 2.610 3.519 . 0 0 "[ . 1 . 2]" 1
996 1 75 ASP H 1 76 LYS H . . 3.440 2.683 2.566 2.818 . 0 0 "[ . 1 . 2]" 1
997 1 75 ASP H 1 77 GLY H . . 4.610 4.224 4.002 4.414 . 0 0 "[ . 1 . 2]" 1
998 1 75 ASP H 1 78 TYR H . . 5.500 5.389 5.220 5.498 . 0 0 "[ . 1 . 2]" 1
999 1 75 ASP H 1 102 TYR QE . . 5.500 5.251 4.928 5.502 0.002 18 0 "[ . 1 . 2]" 1
1000 1 75 ASP HB2 1 76 LYS H . . 3.840 3.328 2.780 3.696 . 0 0 "[ . 1 . 2]" 1
1001 1 75 ASP HB3 1 76 LYS H . . 3.980 2.762 2.297 3.460 . 0 0 "[ . 1 . 2]" 1
1002 1 75 ASP HB3 1 76 LYS HA . . 4.970 3.991 3.868 4.124 . 0 0 "[ . 1 . 2]" 1
1003 1 75 ASP HB3 1 76 LYS QG . . 5.270 3.832 3.127 4.754 . 0 0 "[ . 1 . 2]" 1
1004 1 76 LYS H 1 76 LYS HB2 . . 3.610 2.496 2.184 2.634 . 0 0 "[ . 1 . 2]" 1
1005 1 76 LYS H 1 76 LYS QB . . 3.030 2.449 2.163 2.571 . 0 0 "[ . 1 . 2]" 1
1006 1 76 LYS H 1 76 LYS HB3 . . 3.610 3.578 3.493 3.601 . 0 0 "[ . 1 . 2]" 1
1007 1 76 LYS H 1 76 LYS HD2 . . 4.830 3.838 1.960 4.716 . 0 0 "[ . 1 . 2]" 1
1008 1 76 LYS H 1 76 LYS QD . . 4.150 3.197 1.953 3.744 . 0 0 "[ . 1 . 2]" 1
1009 1 76 LYS H 1 76 LYS HD3 . . 4.830 3.600 2.176 4.293 . 0 0 "[ . 1 . 2]" 1
1010 1 76 LYS H 1 76 LYS QG . . 3.840 2.366 1.908 3.472 . 0 0 "[ . 1 . 2]" 1
1011 1 76 LYS H 1 77 GLY H . . 3.410 2.796 2.559 2.947 . 0 0 "[ . 1 . 2]" 1
1012 1 76 LYS HA 1 76 LYS HD2 . . 3.860 2.944 2.040 3.853 . 0 0 "[ . 1 . 2]" 1
1013 1 76 LYS HA 1 76 LYS QD . . 3.350 2.444 2.030 3.132 . 0 0 "[ . 1 . 2]" 1
1014 1 76 LYS HA 1 76 LYS HD3 . . 3.860 3.067 2.241 3.865 0.005 13 0 "[ . 1 . 2]" 1
1015 1 76 LYS HA 1 76 LYS HE2 . . 5.500 4.520 2.274 5.177 . 0 0 "[ . 1 . 2]" 1
1016 1 76 LYS HA 1 76 LYS HE3 . . 5.500 4.571 1.999 5.268 . 0 0 "[ . 1 . 2]" 1
1017 1 76 LYS HA 1 76 LYS QG . . 3.190 2.685 2.128 2.934 . 0 0 "[ . 1 . 2]" 1
1018 1 76 LYS QB 1 76 LYS QE . . 4.190 3.130 1.981 3.726 . 0 0 "[ . 1 . 2]" 1
1019 1 76 LYS QB 1 77 GLY H . . 3.850 2.523 2.336 2.771 . 0 0 "[ . 1 . 2]" 1
1020 1 76 LYS QB 1 78 TYR H . . 3.970 3.573 3.291 3.968 . 0 0 "[ . 1 . 2]" 1
1021 1 76 LYS HB2 1 76 LYS HE2 . . 5.500 4.364 2.641 5.048 . 0 0 "[ . 1 . 2]" 1
1022 1 76 LYS HB2 1 76 LYS HE3 . . 5.500 4.472 3.270 5.433 . 0 0 "[ . 1 . 2]" 1
1023 1 76 LYS HB2 1 77 GLY H . . 4.390 2.591 2.372 2.937 . 0 0 "[ . 1 . 2]" 1
1024 1 76 LYS HB2 1 78 TYR QE . . 4.350 2.642 2.200 3.019 . 0 0 "[ . 1 . 2]" 1
1025 1 76 LYS HB3 1 76 LYS HE2 . . 5.500 4.079 2.026 5.464 . 0 0 "[ . 1 . 2]" 1
1026 1 76 LYS HB3 1 76 LYS HE3 . . 5.500 3.937 2.025 5.454 . 0 0 "[ . 1 . 2]" 1
1027 1 76 LYS HB3 1 77 GLY H . . 4.390 3.553 3.236 3.888 . 0 0 "[ . 1 . 2]" 1
1028 1 76 LYS HB3 1 78 TYR QE . . 4.350 3.068 2.398 3.343 . 0 0 "[ . 1 . 2]" 1
1029 1 76 LYS QD 1 78 TYR QE . . 4.320 3.757 3.004 4.287 . 0 0 "[ . 1 . 2]" 1
1030 1 76 LYS HD2 1 78 TYR QE . . 5.120 4.245 3.446 4.902 . 0 0 "[ . 1 . 2]" 1
1031 1 76 LYS HD3 1 78 TYR QE . . 5.120 4.486 3.052 5.103 . 0 0 "[ . 1 . 2]" 1
1032 1 76 LYS HE2 1 78 TYR QE . . 5.500 4.265 2.455 5.487 . 0 0 "[ . 1 . 2]" 1
1033 1 76 LYS HE3 1 78 TYR QE . . 5.500 4.245 2.513 5.370 . 0 0 "[ . 1 . 2]" 1
1034 1 76 LYS QG 1 77 GLY H . . 4.760 4.085 3.875 4.562 . 0 0 "[ . 1 . 2]" 1
1035 1 76 LYS QG 1 78 TYR QD . . 4.890 3.792 3.374 4.586 . 0 0 "[ . 1 . 2]" 1
1036 1 76 LYS QG 1 78 TYR QE . . 3.910 2.266 1.999 2.965 . 0 0 "[ . 1 . 2]" 1
1037 1 76 LYS HG2 1 77 GLY H . . 5.500 4.460 4.177 5.283 . 0 0 "[ . 1 . 2]" 1
1038 1 76 LYS HG3 1 77 GLY H . . 5.500 4.781 4.547 5.060 . 0 0 "[ . 1 . 2]" 1
1039 1 77 GLY H 1 78 TYR H . . 3.260 2.124 1.940 2.309 . 0 0 "[ . 1 . 2]" 1
1040 1 78 TYR H 1 78 TYR HB2 . . 3.800 2.529 2.409 2.667 . 0 0 "[ . 1 . 2]" 1
1041 1 78 TYR H 1 78 TYR QB . . 3.160 2.488 2.376 2.614 . 0 0 "[ . 1 . 2]" 1
1042 1 78 TYR H 1 78 TYR HB3 . . 3.800 3.688 3.623 3.757 . 0 0 "[ . 1 . 2]" 1
1043 1 78 TYR H 1 78 TYR QD . . 3.770 3.297 3.015 3.512 . 0 0 "[ . 1 . 2]" 1
1044 1 78 TYR H 1 79 THR H . . 4.790 4.517 4.457 4.572 . 0 0 "[ . 1 . 2]" 1
1045 1 78 TYR H 1 102 TYR QE . . 5.500 4.979 4.727 5.239 . 0 0 "[ . 1 . 2]" 1
1046 1 78 TYR HA 1 78 TYR QD . . 3.360 2.285 2.076 2.553 . 0 0 "[ . 1 . 2]" 1
1047 1 78 TYR HA 1 78 TYR QE . . 4.520 4.441 4.364 4.519 . 0 0 "[ . 1 . 2]" 1
1048 1 78 TYR HA 1 79 THR H . . 3.350 2.439 2.173 2.576 . 0 0 "[ . 1 . 2]" 1
1049 1 78 TYR HA 1 79 THR MG . . 4.240 3.586 3.177 3.998 . 0 0 "[ . 1 . 2]" 1
1050 1 78 TYR QB 1 79 THR H . . 4.360 2.346 2.078 3.043 . 0 0 "[ . 1 . 2]" 1
1051 1 78 TYR QB 1 82 GLN QB . . 4.200 3.215 2.550 3.868 . 0 0 "[ . 1 . 2]" 1
1052 1 78 TYR QB 1 83 MET ME . . 3.410 2.346 1.933 2.837 . 0 0 "[ . 1 . 2]" 1
1053 1 78 TYR QD 1 79 THR H . . 4.050 3.739 3.414 3.999 . 0 0 "[ . 1 . 2]" 1
1054 1 78 TYR QD 1 82 GLN QB . . 5.170 3.245 2.714 4.173 . 0 0 "[ . 1 . 2]" 1
1055 1 78 TYR QD 1 83 MET HB2 . . 4.910 4.677 4.414 4.911 0.001 8 0 "[ . 1 . 2]" 1
1056 1 78 TYR QD 1 83 MET ME . . 3.410 2.830 2.474 3.219 . 0 0 "[ . 1 . 2]" 1
1057 1 78 TYR QE 1 83 MET ME . . 4.580 4.090 3.891 4.343 . 0 0 "[ . 1 . 2]" 1
1058 1 79 THR H 1 79 THR MG . . 3.320 2.736 2.120 3.319 . 0 0 "[ . 1 . 2]" 1
1059 1 79 THR H 1 82 GLN H . . 4.570 3.399 3.077 3.946 . 0 0 "[ . 1 . 2]" 1
1060 1 79 THR H 1 82 GLN HB2 . . 4.320 2.250 1.923 2.681 . 0 0 "[ . 1 . 2]" 1
1061 1 79 THR H 1 82 GLN QB . . 3.640 2.234 1.911 2.655 . 0 0 "[ . 1 . 2]" 1
1062 1 79 THR H 1 82 GLN HB3 . . 4.320 3.817 3.280 4.316 . 0 0 "[ . 1 . 2]" 1
1063 1 79 THR HA 1 79 THR MG . . 3.390 2.798 2.256 3.207 . 0 0 "[ . 1 . 2]" 1
1064 1 79 THR HA 1 80 LEU H . . 3.530 2.344 2.235 2.514 . 0 0 "[ . 1 . 2]" 1
1065 1 79 THR HA 1 106 LEU QD . . 4.590 2.721 2.234 3.298 . 0 0 "[ . 1 . 2]" 1
1066 1 79 THR HB 1 80 LEU H . . 3.930 3.239 2.139 3.925 . 0 0 "[ . 1 . 2]" 1
1067 1 80 LEU H 1 80 LEU QB . . 3.480 2.615 2.433 2.720 . 0 0 "[ . 1 . 2]" 1
1068 1 80 LEU H 1 80 LEU MD1 . . 4.350 3.533 3.271 3.702 . 0 0 "[ . 1 . 2]" 1
1069 1 80 LEU H 1 80 LEU MD2 . . 4.370 3.051 2.618 3.567 . 0 0 "[ . 1 . 2]" 1
1070 1 80 LEU H 1 80 LEU HG . . 3.550 2.036 1.902 2.335 . 0 0 "[ . 1 . 2]" 1
1071 1 80 LEU H 1 81 THR H . . 4.820 3.035 2.851 3.191 . 0 0 "[ . 1 . 2]" 1
1072 1 80 LEU H 1 84 SER H . . 5.500 5.460 5.253 5.504 0.004 15 0 "[ . 1 . 2]" 1
1073 1 80 LEU H 1 106 LEU QD . . 4.730 3.040 2.578 3.925 . 0 0 "[ . 1 . 2]" 1
1074 1 80 LEU HA 1 80 LEU MD1 . . 4.170 3.891 3.823 3.939 . 0 0 "[ . 1 . 2]" 1
1075 1 80 LEU HA 1 80 LEU MD2 . . 3.090 2.178 1.987 2.384 . 0 0 "[ . 1 . 2]" 1
1076 1 80 LEU HA 1 83 MET H . . 4.300 4.089 3.911 4.300 0.000 18 0 "[ . 1 . 2]" 1
1077 1 80 LEU HA 1 84 SER H . . 4.650 3.238 3.036 3.534 . 0 0 "[ . 1 . 2]" 1
1078 1 80 LEU HA 1 84 SER HA . . 5.500 5.351 5.176 5.449 . 0 0 "[ . 1 . 2]" 1
1079 1 80 LEU HA 1 99 TYR QE . . 4.300 2.706 2.225 3.181 . 0 0 "[ . 1 . 2]" 1
1080 1 80 LEU HA 1 102 TYR QD . . 4.600 3.667 3.386 4.179 . 0 0 "[ . 1 . 2]" 1
1081 1 80 LEU HA 1 102 TYR QE . . 4.900 3.658 3.146 4.211 . 0 0 "[ . 1 . 2]" 1
1082 1 80 LEU HA 1 106 LEU QD . . 4.730 4.228 3.766 4.732 0.002 18 0 "[ . 1 . 2]" 1
1083 1 80 LEU QB 1 80 LEU MD1 . . 3.160 2.067 1.980 2.099 . 0 0 "[ . 1 . 2]" 1
1084 1 80 LEU QB 1 99 TYR QE . . 4.470 3.388 2.802 3.925 . 0 0 "[ . 1 . 2]" 1
1085 1 80 LEU MD1 1 103 VAL HA . . 3.810 3.573 2.719 3.808 . 0 0 "[ . 1 . 2]" 1
1086 1 80 LEU MD2 1 83 MET HB3 . . 4.200 3.851 3.554 4.061 . 0 0 "[ . 1 . 2]" 1
1087 1 80 LEU MD2 1 99 TYR QE . . 3.640 2.702 1.972 3.335 . 0 0 "[ . 1 . 2]" 1
1088 1 80 LEU MD2 1 102 TYR QD . . 3.530 2.922 2.584 3.198 . 0 0 "[ . 1 . 2]" 1
1089 1 80 LEU MD2 1 102 TYR QE . . 3.940 3.587 3.185 3.930 . 0 0 "[ . 1 . 2]" 1
1090 1 80 LEU MD2 1 103 VAL H . . 4.300 3.671 3.242 3.931 . 0 0 "[ . 1 . 2]" 1
1091 1 80 LEU MD2 1 103 VAL HA . . 3.190 2.054 1.863 2.521 . 0 0 "[ . 1 . 2]" 1
1092 1 80 LEU HG 1 106 LEU QD . . 4.150 2.850 2.187 3.765 . 0 0 "[ . 1 . 2]" 1
1093 1 81 THR H 1 82 GLN H . . 4.520 2.949 2.799 3.213 . 0 0 "[ . 1 . 2]" 1
1094 1 81 THR HA 1 81 THR MG . . 3.300 2.404 2.215 3.171 . 0 0 "[ . 1 . 2]" 1
1095 1 81 THR HA 1 84 SER H . . 4.790 4.542 4.301 4.779 . 0 0 "[ . 1 . 2]" 1
1096 1 81 THR HA 1 85 ASN H . . 4.660 4.432 4.094 4.632 . 0 0 "[ . 1 . 2]" 1
1097 1 81 THR HB 1 82 GLN H . . 3.760 2.334 2.002 3.713 . 0 0 "[ . 1 . 2]" 1
1098 1 81 THR MG 1 82 GLN H . . 4.420 3.164 1.967 3.619 . 0 0 "[ . 1 . 2]" 1
1099 1 81 THR MG 1 82 GLN HA . . 4.170 3.436 3.055 3.765 . 0 0 "[ . 1 . 2]" 1
1100 1 81 THR MG 1 85 ASN H . . 4.940 4.683 4.436 4.939 . 0 0 "[ . 1 . 2]" 1
1101 1 81 THR MG 1 85 ASN HD21 . . 4.280 3.624 2.592 4.107 . 0 0 "[ . 1 . 2]" 1
1102 1 81 THR MG 1 85 ASN HD22 . . 4.280 3.316 2.752 3.925 . 0 0 "[ . 1 . 2]" 1
1103 1 82 GLN H 1 82 GLN HB2 . . 4.000 2.415 2.221 2.567 . 0 0 "[ . 1 . 2]" 1
1104 1 82 GLN H 1 82 GLN QB . . 3.330 2.378 2.198 2.515 . 0 0 "[ . 1 . 2]" 1
1105 1 82 GLN H 1 82 GLN HB3 . . 4.000 3.581 3.510 3.615 . 0 0 "[ . 1 . 2]" 1
1106 1 82 GLN H 1 82 GLN HG2 . . 3.980 2.946 2.050 3.932 . 0 0 "[ . 1 . 2]" 1
1107 1 82 GLN H 1 82 GLN QG . . 3.390 2.475 2.032 3.377 . 0 0 "[ . 1 . 2]" 1
1108 1 82 GLN H 1 82 GLN HG3 . . 3.980 3.227 2.166 3.979 . 0 0 "[ . 1 . 2]" 1
1109 1 82 GLN H 1 83 MET H . . 3.800 2.771 2.640 2.919 . 0 0 "[ . 1 . 2]" 1
1110 1 82 GLN HA 1 82 GLN HG2 . . 3.910 2.856 2.268 3.716 . 0 0 "[ . 1 . 2]" 1
1111 1 82 GLN HA 1 82 GLN QG . . 3.420 2.648 2.202 3.060 . 0 0 "[ . 1 . 2]" 1
1112 1 82 GLN HA 1 82 GLN HG3 . . 3.910 3.376 2.696 3.835 . 0 0 "[ . 1 . 2]" 1
1113 1 82 GLN HA 1 85 ASN H . . 4.310 3.586 3.332 3.896 . 0 0 "[ . 1 . 2]" 1
1114 1 82 GLN HA 1 85 ASN HB2 . . 4.200 2.471 2.156 2.718 . 0 0 "[ . 1 . 2]" 1
1115 1 82 GLN HA 1 85 ASN QB . . 3.680 2.448 2.139 2.686 . 0 0 "[ . 1 . 2]" 1
1116 1 82 GLN HA 1 85 ASN HB3 . . 4.200 3.969 3.571 4.203 0.003 20 0 "[ . 1 . 2]" 1
1117 1 82 GLN HA 1 85 ASN QD . . 4.580 3.204 2.430 3.844 . 0 0 "[ . 1 . 2]" 1
1118 1 82 GLN HA 1 86 PHE H . . 5.100 4.405 3.974 4.789 . 0 0 "[ . 1 . 2]" 1
1119 1 82 GLN QB 1 83 MET H . . 4.210 2.193 2.114 2.322 . 0 0 "[ . 1 . 2]" 1
1120 1 82 GLN QB 1 86 PHE QE . . 4.810 2.184 1.970 2.672 . 0 0 "[ . 1 . 2]" 1
1121 1 82 GLN QB 1 86 PHE HZ . . 4.830 3.107 2.234 3.641 . 0 0 "[ . 1 . 2]" 1
1122 1 82 GLN QG 1 83 MET H . . 4.150 3.956 3.744 4.149 . 0 0 "[ . 1 . 2]" 1
1123 1 83 MET H 1 83 MET HB2 . . 3.420 2.488 2.398 2.573 . 0 0 "[ . 1 . 2]" 1
1124 1 83 MET H 1 83 MET HB3 . . 3.740 2.630 2.532 2.751 . 0 0 "[ . 1 . 2]" 1
1125 1 83 MET H 1 83 MET ME . . 4.330 3.847 3.569 4.031 . 0 0 "[ . 1 . 2]" 1
1126 1 83 MET H 1 83 MET HG2 . . 4.760 4.626 4.532 4.642 . 0 0 "[ . 1 . 2]" 1
1127 1 83 MET H 1 83 MET QG . . 4.130 4.063 3.978 4.089 . 0 0 "[ . 1 . 2]" 1
1128 1 83 MET H 1 83 MET HG3 . . 4.760 4.502 4.404 4.558 . 0 0 "[ . 1 . 2]" 1
1129 1 83 MET H 1 102 TYR QE . . 5.500 4.242 3.669 4.924 . 0 0 "[ . 1 . 2]" 1
1130 1 83 MET HA 1 83 MET ME . . 3.670 2.787 2.339 3.145 . 0 0 "[ . 1 . 2]" 1
1131 1 83 MET HA 1 86 PHE H . . 4.830 3.640 3.396 3.886 . 0 0 "[ . 1 . 2]" 1
1132 1 83 MET HA 1 86 PHE HB2 . . 4.000 3.015 2.739 3.175 . 0 0 "[ . 1 . 2]" 1
1133 1 83 MET HA 1 86 PHE HB3 . . 4.720 4.601 4.357 4.720 . 0 0 "[ . 1 . 2]" 1
1134 1 83 MET HA 1 86 PHE QD . . 3.440 2.134 2.000 2.459 . 0 0 "[ . 1 . 2]" 1
1135 1 83 MET HA 1 87 LEU H . . 4.500 4.225 3.799 4.490 . 0 0 "[ . 1 . 2]" 1
1136 1 83 MET HB2 1 83 MET ME . . 3.190 2.067 1.945 2.279 . 0 0 "[ . 1 . 2]" 1
1137 1 83 MET HB2 1 86 PHE QD . . 4.640 4.297 4.100 4.470 . 0 0 "[ . 1 . 2]" 1
1138 1 83 MET HB2 1 86 PHE QE . . 5.330 5.214 4.977 5.331 0.001 10 0 "[ . 1 . 2]" 1
1139 1 83 MET HB2 1 87 LEU MD1 . . 5.210 4.742 4.320 5.139 . 0 0 "[ . 1 . 2]" 1
1140 1 83 MET HB2 1 102 TYR QD . . 4.670 3.519 3.278 3.919 . 0 0 "[ . 1 . 2]" 1
1141 1 83 MET HB2 1 102 TYR QE . . 4.420 2.532 2.319 2.944 . 0 0 "[ . 1 . 2]" 1
1142 1 83 MET HB3 1 84 SER H . . 3.860 2.206 2.018 2.454 . 0 0 "[ . 1 . 2]" 1
1143 1 83 MET HB3 1 87 LEU MD1 . . 5.500 4.471 4.050 4.991 . 0 0 "[ . 1 . 2]" 1
1144 1 83 MET HB3 1 99 TYR QD . . 4.230 3.990 3.724 4.228 . 0 0 "[ . 1 . 2]" 1
1145 1 83 MET HB3 1 99 TYR QE . . 3.830 3.147 2.492 3.792 . 0 0 "[ . 1 . 2]" 1
1146 1 83 MET HB3 1 102 TYR QD . . 4.880 3.298 2.937 3.667 . 0 0 "[ . 1 . 2]" 1
1147 1 83 MET HB3 1 102 TYR QE . . 4.980 3.129 2.652 3.636 . 0 0 "[ . 1 . 2]" 1
1148 1 83 MET ME 1 83 MET HG2 . . 3.840 2.514 2.352 3.382 . 0 0 "[ . 1 . 2]" 1
1149 1 83 MET ME 1 83 MET QG . . 3.320 2.413 2.311 2.485 . 0 0 "[ . 1 . 2]" 1
1150 1 83 MET ME 1 83 MET HG3 . . 3.840 3.344 2.518 3.401 . 0 0 "[ . 1 . 2]" 1
1151 1 83 MET ME 1 86 PHE QD . . 4.090 3.663 3.082 4.089 . 0 0 "[ . 1 . 2]" 1
1152 1 83 MET ME 1 87 LEU MD1 . . 4.000 3.809 3.626 3.999 . 0 0 "[ . 1 . 2]" 1
1153 1 83 MET ME 1 102 TYR QD . . 3.270 3.211 3.010 3.276 0.006 20 0 "[ . 1 . 2]" 1
1154 1 83 MET ME 1 102 TYR QE . . 3.680 2.686 2.217 3.111 . 0 0 "[ . 1 . 2]" 1
1155 1 83 MET QG 1 87 LEU MD1 . . 3.580 2.299 1.865 2.811 . 0 0 "[ . 1 . 2]" 1
1156 1 83 MET QG 1 99 TYR QD . . 3.820 2.473 2.033 2.856 . 0 0 "[ . 1 . 2]" 1
1157 1 83 MET QG 1 99 TYR QE . . 4.440 3.185 2.272 3.720 . 0 0 "[ . 1 . 2]" 1
1158 1 83 MET QG 1 102 TYR QD . . 3.620 2.099 1.986 3.048 . 0 0 "[ . 1 . 2]" 1
1159 1 83 MET HG2 1 87 LEU MD1 . . 4.210 3.233 1.983 3.606 . 0 0 "[ . 1 . 2]" 1
1160 1 83 MET HG2 1 99 TYR QD . . 4.410 3.214 2.647 3.629 . 0 0 "[ . 1 . 2]" 1
1161 1 83 MET HG2 1 102 TYR QD . . 4.260 2.115 1.998 3.122 . 0 0 "[ . 1 . 2]" 1
1162 1 83 MET HG2 1 102 TYR QE . . 4.600 3.132 2.884 4.147 . 0 0 "[ . 1 . 2]" 1
1163 1 83 MET HG3 1 87 LEU MD1 . . 4.210 2.371 1.985 2.933 . 0 0 "[ . 1 . 2]" 1
1164 1 83 MET HG3 1 99 TYR QD . . 4.410 2.655 2.054 4.362 . 0 0 "[ . 1 . 2]" 1
1165 1 83 MET HG3 1 102 TYR QD . . 4.260 3.610 3.460 4.266 0.006 20 0 "[ . 1 . 2]" 1
1166 1 83 MET HG3 1 102 TYR QE . . 4.600 4.508 4.295 4.605 0.005 15 0 "[ . 1 . 2]" 1
1167 1 84 SER H 1 84 SER HB2 . . 3.720 2.878 2.188 3.605 . 0 0 "[ . 1 . 2]" 1
1168 1 84 SER H 1 84 SER QB . . 3.170 2.315 2.136 2.696 . 0 0 "[ . 1 . 2]" 1
1169 1 84 SER H 1 84 SER HB3 . . 3.720 2.709 2.304 3.593 . 0 0 "[ . 1 . 2]" 1
1170 1 84 SER H 1 85 ASN H . . 3.610 2.911 2.691 3.145 . 0 0 "[ . 1 . 2]" 1
1171 1 84 SER H 1 86 PHE H . . 4.520 4.130 3.983 4.324 . 0 0 "[ . 1 . 2]" 1
1172 1 84 SER H 1 99 TYR QD . . 4.770 4.129 3.757 4.587 . 0 0 "[ . 1 . 2]" 1
1173 1 84 SER H 1 99 TYR QE . . 3.640 2.962 2.091 3.532 . 0 0 "[ . 1 . 2]" 1
1174 1 84 SER HA 1 86 PHE H . . 5.500 4.030 3.699 4.547 . 0 0 "[ . 1 . 2]" 1
1175 1 84 SER HA 1 87 LEU H . . 4.790 3.301 2.996 3.839 . 0 0 "[ . 1 . 2]" 1
1176 1 84 SER HA 1 87 LEU HB2 . . 4.520 2.798 2.308 2.960 . 0 0 "[ . 1 . 2]" 1
1177 1 84 SER HA 1 87 LEU HB3 . . 4.640 4.486 3.979 4.640 . 0 0 "[ . 1 . 2]" 1
1178 1 84 SER HA 1 87 LEU MD1 . . 4.650 3.473 2.727 3.955 . 0 0 "[ . 1 . 2]" 1
1179 1 84 SER HA 1 88 LYS H . . 4.890 4.391 3.142 4.893 0.003 15 0 "[ . 1 . 2]" 1
1180 1 84 SER HA 1 99 TYR QD . . 4.390 3.326 2.932 3.713 . 0 0 "[ . 1 . 2]" 1
1181 1 84 SER HA 1 99 TYR QE . . 4.220 3.486 2.544 4.202 . 0 0 "[ . 1 . 2]" 1
1182 1 84 SER QB 1 85 ASN H . . 3.830 2.709 2.036 3.354 . 0 0 "[ . 1 . 2]" 1
1183 1 84 SER QB 1 99 TYR QD . . 4.770 3.821 3.142 4.638 . 0 0 "[ . 1 . 2]" 1
1184 1 84 SER QB 1 99 TYR QE . . 3.700 2.535 1.987 3.679 . 0 0 "[ . 1 . 2]" 1
1185 1 84 SER HB2 1 85 ASN H . . 4.370 3.481 2.052 3.910 . 0 0 "[ . 1 . 2]" 1
1186 1 84 SER HB2 1 99 TYR QD . . 5.500 4.344 3.195 5.476 . 0 0 "[ . 1 . 2]" 1
1187 1 84 SER HB2 1 99 TYR QE . . 4.500 3.170 2.006 4.322 . 0 0 "[ . 1 . 2]" 1
1188 1 84 SER HB3 1 85 ASN H . . 4.370 3.039 2.124 3.873 . 0 0 "[ . 1 . 2]" 1
1189 1 84 SER HB3 1 99 TYR QD . . 5.500 4.671 3.601 5.490 . 0 0 "[ . 1 . 2]" 1
1190 1 84 SER HB3 1 99 TYR QE . . 4.500 3.382 1.999 4.342 . 0 0 "[ . 1 . 2]" 1
1191 1 85 ASN H 1 85 ASN HB2 . . 3.580 2.293 2.189 2.423 . 0 0 "[ . 1 . 2]" 1
1192 1 85 ASN H 1 85 ASN QB . . 3.050 2.266 2.168 2.386 . 0 0 "[ . 1 . 2]" 1
1193 1 85 ASN H 1 85 ASN HB3 . . 3.580 3.547 3.496 3.584 0.004 8 0 "[ . 1 . 2]" 1
1194 1 85 ASN H 1 86 PHE H . . 3.600 2.780 2.484 3.001 . 0 0 "[ . 1 . 2]" 1
1195 1 85 ASN HA 1 88 LYS H . . 4.760 4.012 3.597 4.379 . 0 0 "[ . 1 . 2]" 1
1196 1 85 ASN HA 1 88 LYS QB . . 5.240 2.795 2.346 3.848 . 0 0 "[ . 1 . 2]" 1
1197 1 85 ASN HA 1 88 LYS HD2 . . 5.500 3.745 2.144 4.961 . 0 0 "[ . 1 . 2]" 1
1198 1 85 ASN HA 1 88 LYS HD3 . . 5.500 3.700 1.998 5.431 . 0 0 "[ . 1 . 2]" 1
1199 1 85 ASN HA 1 88 LYS HG2 . . 5.500 3.972 1.999 5.097 . 0 0 "[ . 1 . 2]" 1
1200 1 85 ASN HA 1 88 LYS HG3 . . 5.500 4.144 2.137 5.372 . 0 0 "[ . 1 . 2]" 1
1201 1 85 ASN QB 1 86 PHE H . . 3.460 2.820 2.549 3.120 . 0 0 "[ . 1 . 2]" 1
1202 1 85 ASN HB2 1 86 PHE H . . 4.000 2.964 2.627 3.320 . 0 0 "[ . 1 . 2]" 1
1203 1 85 ASN HB3 1 86 PHE H . . 4.000 3.548 3.195 3.874 . 0 0 "[ . 1 . 2]" 1
1204 1 86 PHE H 1 86 PHE HB2 . . 3.750 2.478 2.409 2.625 . 0 0 "[ . 1 . 2]" 1
1205 1 86 PHE H 1 86 PHE HB3 . . 3.640 3.617 3.585 3.656 0.016 10 0 "[ . 1 . 2]" 1
1206 1 86 PHE H 1 86 PHE QD . . 4.320 3.237 2.819 3.415 . 0 0 "[ . 1 . 2]" 1
1207 1 86 PHE H 1 87 LEU H . . 3.720 2.499 2.208 2.857 . 0 0 "[ . 1 . 2]" 1
1208 1 86 PHE HA 1 86 PHE QD . . 3.660 2.080 2.003 2.194 . 0 0 "[ . 1 . 2]" 1
1209 1 86 PHE HA 1 88 LYS H . . 5.100 3.880 3.511 4.560 . 0 0 "[ . 1 . 2]" 1
1210 1 86 PHE HB2 1 87 LEU H . . 4.250 2.511 2.212 2.857 . 0 0 "[ . 1 . 2]" 1
1211 1 86 PHE HB2 1 87 LEU MD1 . . 4.870 4.498 4.080 4.814 . 0 0 "[ . 1 . 2]" 1
1212 1 86 PHE HB2 1 87 LEU MD2 . . 4.620 4.009 3.343 4.617 . 0 0 "[ . 1 . 2]" 1
1213 1 86 PHE HB2 1 88 LYS H . . 5.150 4.782 4.574 5.046 . 0 0 "[ . 1 . 2]" 1
1214 1 86 PHE HB3 1 87 LEU H . . 3.970 3.564 3.224 3.951 . 0 0 "[ . 1 . 2]" 1
1215 1 86 PHE HB3 1 87 LEU HA . . 5.480 4.441 4.224 4.777 . 0 0 "[ . 1 . 2]" 1
1216 1 86 PHE HB3 1 88 LYS H . . 5.500 5.159 4.893 5.504 0.004 10 0 "[ . 1 . 2]" 1
1217 1 86 PHE QD 1 87 LEU H . . 5.500 4.261 4.075 4.436 . 0 0 "[ . 1 . 2]" 1
1218 1 87 LEU H 1 87 LEU HB2 . . 3.370 2.457 2.268 2.625 . 0 0 "[ . 1 . 2]" 1
1219 1 87 LEU H 1 87 LEU HB3 . . 3.730 3.615 3.539 3.700 . 0 0 "[ . 1 . 2]" 1
1220 1 87 LEU H 1 87 LEU MD1 . . 3.860 3.652 3.522 3.825 . 0 0 "[ . 1 . 2]" 1
1221 1 87 LEU H 1 87 LEU MD2 . . 4.290 3.558 3.291 3.834 . 0 0 "[ . 1 . 2]" 1
1222 1 87 LEU H 1 87 LEU HG . . 4.200 2.485 2.201 2.703 . 0 0 "[ . 1 . 2]" 1
1223 1 87 LEU H 1 88 LYS H . . 3.600 2.777 2.451 2.974 . 0 0 "[ . 1 . 2]" 1
1224 1 87 LEU HA 1 87 LEU MD1 . . 4.000 3.885 3.834 3.936 . 0 0 "[ . 1 . 2]" 1
1225 1 87 LEU HA 1 87 LEU MD2 . . 3.130 2.128 1.973 2.307 . 0 0 "[ . 1 . 2]" 1
1226 1 87 LEU HA 1 95 TYR HB2 . . 5.040 4.152 3.476 5.029 . 0 0 "[ . 1 . 2]" 1
1227 1 87 LEU HA 1 95 TYR QD . . 4.300 3.981 2.599 4.304 0.004 20 0 "[ . 1 . 2]" 1
1228 1 87 LEU HB2 1 88 LYS H . . 4.100 3.568 2.600 4.109 0.009 11 0 "[ . 1 . 2]" 1
1229 1 87 LEU HB2 1 95 TYR HB2 . . 4.190 3.930 3.421 4.196 0.006 11 0 "[ . 1 . 2]" 1
1230 1 87 LEU HB2 1 95 TYR HB3 . . 5.000 4.612 3.952 5.004 0.004 15 0 "[ . 1 . 2]" 1
1231 1 87 LEU HB2 1 99 TYR QD . . 4.930 3.975 3.226 4.497 . 0 0 "[ . 1 . 2]" 1
1232 1 87 LEU HB3 1 88 LYS H . . 4.900 4.149 3.367 4.491 . 0 0 "[ . 1 . 2]" 1
1233 1 87 LEU HB3 1 95 TYR HB2 . . 4.020 2.386 2.021 2.799 . 0 0 "[ . 1 . 2]" 1
1234 1 87 LEU HB3 1 95 TYR HB3 . . 4.340 3.119 2.526 3.658 . 0 0 "[ . 1 . 2]" 1
1235 1 87 LEU HB3 1 95 TYR QD . . 4.000 3.569 3.107 3.977 . 0 0 "[ . 1 . 2]" 1
1236 1 87 LEU HB3 1 99 TYR QD . . 5.330 4.981 4.365 5.321 . 0 0 "[ . 1 . 2]" 1
1237 1 87 LEU MD1 1 95 TYR HB2 . . 4.260 3.479 2.981 4.007 . 0 0 "[ . 1 . 2]" 1
1238 1 87 LEU MD1 1 95 TYR HB3 . . 4.060 2.992 2.513 3.344 . 0 0 "[ . 1 . 2]" 1
1239 1 87 LEU MD1 1 95 TYR QD . . 4.710 4.221 3.413 4.609 . 0 0 "[ . 1 . 2]" 1
1240 1 87 LEU MD1 1 98 VAL H . . 5.150 4.933 4.482 5.154 0.004 4 0 "[ . 1 . 2]" 1
1241 1 87 LEU MD1 1 98 VAL HB . . 4.180 3.028 2.637 3.317 . 0 0 "[ . 1 . 2]" 1
1242 1 87 LEU MD1 1 98 VAL MG1 . . 3.330 2.500 1.991 2.912 . 0 0 "[ . 1 . 2]" 1
1243 1 87 LEU MD1 1 99 TYR H . . 4.290 3.281 2.585 3.925 . 0 0 "[ . 1 . 2]" 1
1244 1 87 LEU MD1 1 99 TYR HA . . 3.850 2.848 2.273 3.425 . 0 0 "[ . 1 . 2]" 1
1245 1 87 LEU MD1 1 99 TYR QB . . 3.350 2.541 2.007 3.177 . 0 0 "[ . 1 . 2]" 1
1246 1 87 LEU MD1 1 99 TYR QD . . 3.750 2.591 2.084 3.119 . 0 0 "[ . 1 . 2]" 1
1247 1 87 LEU MD2 1 95 TYR HB2 . . 3.950 3.215 2.291 3.949 . 0 0 "[ . 1 . 2]" 1
1248 1 87 LEU MD2 1 95 TYR HB3 . . 4.440 2.892 2.058 3.597 . 0 0 "[ . 1 . 2]" 1
1249 1 87 LEU MD2 1 95 TYR QD . . 4.040 3.179 2.181 3.630 . 0 0 "[ . 1 . 2]" 1
1250 1 87 LEU MD2 1 95 TYR QE . . 4.460 3.997 3.235 4.464 0.004 4 0 "[ . 1 . 2]" 1
1251 1 88 LYS H 1 88 LYS HB2 . . 3.610 2.741 2.187 3.636 0.026 4 0 "[ . 1 . 2]" 1
1252 1 88 LYS H 1 88 LYS QB . . 3.130 2.349 2.138 2.687 . 0 0 "[ . 1 . 2]" 1
1253 1 88 LYS H 1 88 LYS HB3 . . 3.610 3.048 2.330 3.574 . 0 0 "[ . 1 . 2]" 1
1254 1 88 LYS H 1 88 LYS HD2 . . 5.500 4.806 3.962 5.589 0.089 20 0 "[ . 1 . 2]" 1
1255 1 88 LYS H 1 88 LYS HD3 . . 5.500 4.460 3.777 5.517 0.017 18 0 "[ . 1 . 2]" 1
1256 1 88 LYS H 1 88 LYS QE . . 5.340 4.658 3.999 5.252 . 0 0 "[ . 1 . 2]" 1
1257 1 88 LYS H 1 88 LYS QG . . 4.270 2.897 1.972 4.083 . 0 0 "[ . 1 . 2]" 1
1258 1 88 LYS H 1 89 SER H . . 4.530 3.591 2.300 4.464 . 0 0 "[ . 1 . 2]" 1
1259 1 88 LYS H 1 90 LYS H . . 5.500 5.311 4.481 5.561 0.061 20 0 "[ . 1 . 2]" 1
1260 1 88 LYS HA 1 88 LYS HD2 . . 5.500 4.294 3.206 5.434 . 0 0 "[ . 1 . 2]" 1
1261 1 88 LYS HA 1 88 LYS QD . . 4.770 3.613 2.018 4.417 . 0 0 "[ . 1 . 2]" 1
1262 1 88 LYS HA 1 88 LYS HD3 . . 5.500 4.096 2.037 5.505 0.005 5 0 "[ . 1 . 2]" 1
1263 1 88 LYS HA 1 88 LYS HG2 . . 4.080 3.197 2.175 3.884 . 0 0 "[ . 1 . 2]" 1
1264 1 88 LYS HA 1 88 LYS QG . . 3.390 2.712 2.118 3.344 . 0 0 "[ . 1 . 2]" 1
1265 1 88 LYS HA 1 88 LYS HG3 . . 4.080 3.144 2.152 3.794 . 0 0 "[ . 1 . 2]" 1
1266 1 88 LYS QB 1 88 LYS QE . . 4.010 2.669 2.130 3.662 . 0 0 "[ . 1 . 2]" 1
1267 1 88 LYS QB 1 89 SER H . . 4.260 3.592 2.153 4.052 . 0 0 "[ . 1 . 2]" 1
1268 1 88 LYS HB2 1 88 LYS HE2 . . 5.380 3.659 2.272 4.933 . 0 0 "[ . 1 . 2]" 1
1269 1 88 LYS HB2 1 88 LYS HE3 . . 5.380 3.654 2.227 4.895 . 0 0 "[ . 1 . 2]" 1
1270 1 88 LYS HB3 1 88 LYS HE2 . . 5.380 3.802 2.669 5.018 . 0 0 "[ . 1 . 2]" 1
1271 1 88 LYS HB3 1 88 LYS HE3 . . 5.380 3.715 2.187 4.790 . 0 0 "[ . 1 . 2]" 1
1272 1 88 LYS QE 1 88 LYS QG . . 3.330 2.213 2.042 2.512 . 0 0 "[ . 1 . 2]" 1
1273 1 89 SER QB 1 94 LYS QB . . 3.570 2.771 1.793 3.527 . 0 0 "[ . 1 . 2]" 1
1274 1 89 SER QB 1 94 LYS QD . . 3.830 2.887 2.074 3.828 . 0 0 "[ . 1 . 2]" 1
1275 1 89 SER QB 1 95 TYR QD . . 4.050 2.962 1.959 3.698 . 0 0 "[ . 1 . 2]" 1
1276 1 89 SER QB 1 95 TYR QE . . 4.010 2.762 2.018 3.892 . 0 0 "[ . 1 . 2]" 1
1277 1 89 SER HB2 1 94 LYS HB2 . . 5.250 4.478 2.550 5.243 . 0 0 "[ . 1 . 2]" 1
1278 1 89 SER HB2 1 94 LYS HB3 . . 5.250 3.704 1.997 4.658 . 0 0 "[ . 1 . 2]" 1
1279 1 89 SER HB2 1 95 TYR QD . . 4.690 3.434 1.997 4.623 . 0 0 "[ . 1 . 2]" 1
1280 1 89 SER HB2 1 95 TYR QE . . 4.640 3.114 2.137 4.629 . 0 0 "[ . 1 . 2]" 1
1281 1 89 SER HB3 1 94 LYS HB2 . . 5.250 3.838 2.030 5.095 . 0 0 "[ . 1 . 2]" 1
1282 1 89 SER HB3 1 94 LYS HB3 . . 5.250 3.271 2.058 4.252 . 0 0 "[ . 1 . 2]" 1
1283 1 89 SER HB3 1 95 TYR QD . . 4.690 3.548 2.027 4.699 0.009 15 0 "[ . 1 . 2]" 1
1284 1 89 SER HB3 1 95 TYR QE . . 4.640 3.427 2.048 4.318 . 0 0 "[ . 1 . 2]" 1
1285 1 90 LYS HA 1 90 LYS HD2 . . 5.450 4.002 2.099 5.047 . 0 0 "[ . 1 . 2]" 1
1286 1 90 LYS HA 1 90 LYS QD . . 4.660 3.482 2.084 4.269 . 0 0 "[ . 1 . 2]" 1
1287 1 90 LYS HA 1 90 LYS HD3 . . 5.450 4.142 2.152 5.069 . 0 0 "[ . 1 . 2]" 1
1288 1 90 LYS HA 1 90 LYS QG . . 3.670 2.666 2.173 3.432 . 0 0 "[ . 1 . 2]" 1
1289 1 90 LYS HB2 1 91 THR H . . 5.370 4.317 2.881 4.629 . 0 0 "[ . 1 . 2]" 1
1290 1 90 LYS HB3 1 91 THR H . . 5.370 4.284 2.936 4.664 . 0 0 "[ . 1 . 2]" 1
1291 1 91 THR H 1 91 THR MG . . 4.570 3.873 3.727 4.015 . 0 0 "[ . 1 . 2]" 1
1292 1 91 THR HA 1 91 THR MG . . 3.270 2.354 2.102 2.492 . 0 0 "[ . 1 . 2]" 1
1293 1 91 THR HB 1 94 LYS H . . 4.440 3.490 2.330 4.429 . 0 0 "[ . 1 . 2]" 1
1294 1 91 THR HB 1 94 LYS HA . . 4.610 4.315 2.750 4.609 . 0 0 "[ . 1 . 2]" 1
1295 1 91 THR HB 1 94 LYS HB2 . . 4.070 2.173 1.991 2.631 . 0 0 "[ . 1 . 2]" 1
1296 1 91 THR HB 1 94 LYS QB . . 3.390 2.126 1.946 2.549 . 0 0 "[ . 1 . 2]" 1
1297 1 91 THR HB 1 94 LYS HB3 . . 4.070 3.134 2.664 3.667 . 0 0 "[ . 1 . 2]" 1
1298 1 91 THR HB 1 94 LYS HD2 . . 4.740 3.744 2.729 4.738 . 0 0 "[ . 1 . 2]" 1
1299 1 91 THR HB 1 94 LYS QD . . 4.010 3.193 2.321 3.959 . 0 0 "[ . 1 . 2]" 1
1300 1 91 THR HB 1 94 LYS HD3 . . 4.740 3.712 2.350 4.501 . 0 0 "[ . 1 . 2]" 1
1301 1 91 THR HB 1 95 TYR QD . . 5.500 5.288 4.555 5.507 0.007 20 0 "[ . 1 . 2]" 1
1302 1 91 THR MG 1 92 ALA H . . 5.180 2.296 1.823 4.219 . 0 0 "[ . 1 . 2]" 1
1303 1 91 THR MG 1 94 LYS H . . 4.630 3.596 1.933 4.570 . 0 0 "[ . 1 . 2]" 1
1304 1 91 THR MG 1 94 LYS HA . . 4.060 3.574 2.699 4.072 0.012 15 0 "[ . 1 . 2]" 1
1305 1 91 THR MG 1 94 LYS QB . . 4.010 2.522 1.929 3.265 . 0 0 "[ . 1 . 2]" 1
1306 1 91 THR MG 1 94 LYS QD . . 4.100 3.024 2.061 3.720 . 0 0 "[ . 1 . 2]" 1
1307 1 93 GLY QA 1 95 TYR H . . 5.340 4.397 3.476 5.341 0.001 11 0 "[ . 1 . 2]" 1
1308 1 93 GLY QA 1 96 ASP H . . 4.820 4.152 3.611 4.656 . 0 0 "[ . 1 . 2]" 1
1309 1 93 GLY HA2 1 96 ASP H . . 5.500 4.454 3.741 5.077 . 0 0 "[ . 1 . 2]" 1
1310 1 93 GLY HA3 1 96 ASP H . . 5.500 5.046 4.267 5.491 . 0 0 "[ . 1 . 2]" 1
1311 1 94 LYS H 1 94 LYS HB2 . . 3.780 2.813 2.436 3.164 . 0 0 "[ . 1 . 2]" 1
1312 1 94 LYS H 1 94 LYS QB . . 3.320 2.417 2.215 2.639 . 0 0 "[ . 1 . 2]" 1
1313 1 94 LYS H 1 94 LYS HB3 . . 3.780 2.666 2.331 3.028 . 0 0 "[ . 1 . 2]" 1
1314 1 94 LYS H 1 94 LYS HD2 . . 5.500 5.036 4.521 5.392 . 0 0 "[ . 1 . 2]" 1
1315 1 94 LYS H 1 94 LYS HD3 . . 5.500 5.139 4.770 5.481 . 0 0 "[ . 1 . 2]" 1
1316 1 94 LYS H 1 94 LYS QG . . 4.720 4.060 3.924 4.263 . 0 0 "[ . 1 . 2]" 1
1317 1 94 LYS H 1 95 TYR H . . 4.380 2.946 2.213 4.373 . 0 0 "[ . 1 . 2]" 1
1318 1 94 LYS HA 1 94 LYS HD2 . . 4.920 3.566 2.164 4.456 . 0 0 "[ . 1 . 2]" 1
1319 1 94 LYS HA 1 94 LYS QD . . 4.130 3.354 2.137 4.035 . 0 0 "[ . 1 . 2]" 1
1320 1 94 LYS HA 1 94 LYS HD3 . . 4.920 4.226 3.185 4.753 . 0 0 "[ . 1 . 2]" 1
1321 1 94 LYS HA 1 94 LYS HG2 . . 4.110 3.365 2.707 3.893 . 0 0 "[ . 1 . 2]" 1
1322 1 94 LYS HA 1 94 LYS QG . . 3.410 2.475 2.177 2.965 . 0 0 "[ . 1 . 2]" 1
1323 1 94 LYS HA 1 94 LYS HG3 . . 4.110 2.560 2.219 3.074 . 0 0 "[ . 1 . 2]" 1
1324 1 94 LYS HA 1 96 ASP H . . 5.030 4.046 3.471 4.759 . 0 0 "[ . 1 . 2]" 1
1325 1 94 LYS QB 1 94 LYS QD . . 3.310 2.143 2.077 2.238 . 0 0 "[ . 1 . 2]" 1
1326 1 94 LYS QB 1 95 TYR H . . 3.720 2.577 1.888 3.666 . 0 0 "[ . 1 . 2]" 1
1327 1 94 LYS QB 1 95 TYR QD . . 3.920 2.589 2.024 3.214 . 0 0 "[ . 1 . 2]" 1
1328 1 94 LYS QB 1 95 TYR QE . . 4.080 3.649 3.182 4.081 0.001 10 0 "[ . 1 . 2]" 1
1329 1 94 LYS HB2 1 95 TYR H . . 4.550 3.831 3.278 4.410 . 0 0 "[ . 1 . 2]" 1
1330 1 94 LYS HB3 1 95 TYR H . . 4.550 2.657 1.900 3.930 . 0 0 "[ . 1 . 2]" 1
1331 1 94 LYS QD 1 95 TYR QE . . 3.880 3.044 1.984 3.914 0.034 15 0 "[ . 1 . 2]" 1
1332 1 94 LYS QE 1 94 LYS QG . . 3.020 2.170 2.072 2.330 . 0 0 "[ . 1 . 2]" 1
1333 1 94 LYS QE 1 95 TYR QE . . 3.940 2.916 2.242 3.627 . 0 0 "[ . 1 . 2]" 1
1334 1 94 LYS HE2 1 94 LYS HG2 . . 3.870 2.959 2.301 3.790 . 0 0 "[ . 1 . 2]" 1
1335 1 94 LYS HE2 1 94 LYS HG3 . . 3.870 3.288 2.402 3.859 . 0 0 "[ . 1 . 2]" 1
1336 1 94 LYS HE2 1 95 TYR QE . . 4.500 3.237 2.259 4.475 . 0 0 "[ . 1 . 2]" 1
1337 1 94 LYS HE3 1 94 LYS HG2 . . 3.870 2.862 2.212 3.732 . 0 0 "[ . 1 . 2]" 1
1338 1 94 LYS HE3 1 94 LYS HG3 . . 3.870 2.690 2.215 3.714 . 0 0 "[ . 1 . 2]" 1
1339 1 94 LYS HE3 1 95 TYR QE . . 4.500 3.784 2.652 4.494 . 0 0 "[ . 1 . 2]" 1
1340 1 94 LYS QG 1 95 TYR QD . . 4.470 2.799 1.911 3.758 . 0 0 "[ . 1 . 2]" 1
1341 1 94 LYS QG 1 95 TYR QE . . 3.980 2.783 1.889 3.779 . 0 0 "[ . 1 . 2]" 1
1342 1 94 LYS HG2 1 95 TYR QD . . 5.290 2.980 2.318 3.897 . 0 0 "[ . 1 . 2]" 1
1343 1 94 LYS HG2 1 95 TYR QE . . 4.860 2.854 1.995 3.940 . 0 0 "[ . 1 . 2]" 1
1344 1 94 LYS HG3 1 95 TYR QD . . 5.290 3.828 1.998 5.001 . 0 0 "[ . 1 . 2]" 1
1345 1 94 LYS HG3 1 95 TYR QE . . 4.860 3.927 2.335 4.859 . 0 0 "[ . 1 . 2]" 1
1346 1 95 TYR H 1 95 TYR HB2 . . 3.890 2.769 2.346 3.640 . 0 0 "[ . 1 . 2]" 1
1347 1 95 TYR H 1 95 TYR QD . . 4.130 2.833 2.325 3.613 . 0 0 "[ . 1 . 2]" 1
1348 1 95 TYR H 1 96 ASP H . . 3.580 3.013 2.596 3.564 . 0 0 "[ . 1 . 2]" 1
1349 1 95 TYR HA 1 95 TYR QD . . 3.600 2.871 2.486 3.170 . 0 0 "[ . 1 . 2]" 1
1350 1 95 TYR HA 1 98 VAL H . . 4.700 3.476 3.229 3.824 . 0 0 "[ . 1 . 2]" 1
1351 1 95 TYR HA 1 98 VAL MG2 . . 4.700 3.132 2.380 3.692 . 0 0 "[ . 1 . 2]" 1
1352 1 95 TYR HB2 1 96 ASP H . . 4.930 4.258 4.032 4.503 . 0 0 "[ . 1 . 2]" 1
1353 1 95 TYR HB2 1 98 VAL H . . 5.500 5.179 4.966 5.471 . 0 0 "[ . 1 . 2]" 1
1354 1 95 TYR HB2 1 98 VAL HB . . 4.810 4.078 3.689 4.459 . 0 0 "[ . 1 . 2]" 1
1355 1 95 TYR HB2 1 98 VAL MG1 . . 5.500 4.917 4.531 5.308 . 0 0 "[ . 1 . 2]" 1
1356 1 95 TYR HB3 1 96 ASP H . . 5.090 4.423 4.225 4.506 . 0 0 "[ . 1 . 2]" 1
1357 1 95 TYR HB3 1 98 VAL HB . . 4.330 2.479 2.111 2.952 . 0 0 "[ . 1 . 2]" 1
1358 1 95 TYR HB3 1 98 VAL MG1 . . 4.690 3.598 3.201 3.984 . 0 0 "[ . 1 . 2]" 1
1359 1 95 TYR HB3 1 98 VAL MG2 . . 4.320 3.089 2.603 3.437 . 0 0 "[ . 1 . 2]" 1
1360 1 95 TYR QD 1 98 VAL HB . . 4.530 3.456 2.805 4.184 . 0 0 "[ . 1 . 2]" 1
1361 1 95 TYR QD 1 98 VAL MG1 . . 4.780 3.788 3.209 4.463 . 0 0 "[ . 1 . 2]" 1
1362 1 95 TYR QD 1 98 VAL MG2 . . 3.920 2.441 1.986 3.188 . 0 0 "[ . 1 . 2]" 1
1363 1 95 TYR QE 1 98 VAL MG2 . . 5.500 4.104 3.432 4.988 . 0 0 "[ . 1 . 2]" 1
1364 1 96 ASP H 1 96 ASP HB2 . . 3.590 2.430 2.196 2.907 . 0 0 "[ . 1 . 2]" 1
1365 1 96 ASP H 1 96 ASP HB3 . . 3.590 2.892 2.215 3.558 . 0 0 "[ . 1 . 2]" 1
1366 1 96 ASP H 1 97 ARG H . . 4.750 2.617 2.453 2.880 . 0 0 "[ . 1 . 2]" 1
1367 1 96 ASP HA 1 99 TYR H . . 4.210 3.594 3.027 3.980 . 0 0 "[ . 1 . 2]" 1
1368 1 96 ASP HA 1 99 TYR HB2 . . 4.240 3.821 3.206 4.192 . 0 0 "[ . 1 . 2]" 1
1369 1 96 ASP HA 1 99 TYR HB3 . . 4.240 2.817 2.283 3.471 . 0 0 "[ . 1 . 2]" 1
1370 1 97 ARG H 1 98 VAL H . . 4.470 2.733 2.509 2.949 . 0 0 "[ . 1 . 2]" 1
1371 1 97 ARG HA 1 97 ARG HD2 . . 5.480 3.915 2.133 5.467 . 0 0 "[ . 1 . 2]" 1
1372 1 97 ARG HA 1 97 ARG QD . . 4.720 3.356 1.984 4.373 . 0 0 "[ . 1 . 2]" 1
1373 1 97 ARG HA 1 97 ARG HD3 . . 5.480 4.023 1.994 5.428 . 0 0 "[ . 1 . 2]" 1
1374 1 97 ARG HA 1 100 ASN H . . 4.450 3.928 3.477 4.342 . 0 0 "[ . 1 . 2]" 1
1375 1 97 ARG HA 1 100 ASN QB . . 3.970 2.984 2.400 3.726 . 0 0 "[ . 1 . 2]" 1
1376 1 97 ARG HA 1 100 ASN QD . . 4.160 3.190 1.889 4.152 . 0 0 "[ . 1 . 2]" 1
1377 1 97 ARG QB 1 97 ARG QD . . 3.270 2.252 2.036 2.611 . 0 0 "[ . 1 . 2]" 1
1378 1 97 ARG QB 1 98 VAL MG2 . . 4.400 3.191 2.867 3.966 . 0 0 "[ . 1 . 2]" 1
1379 1 97 ARG HB2 1 98 VAL H . . 4.220 3.422 2.553 4.193 . 0 0 "[ . 1 . 2]" 1
1380 1 97 ARG HB3 1 98 VAL H . . 4.220 3.112 2.206 4.200 . 0 0 "[ . 1 . 2]" 1
1381 1 98 VAL H 1 98 VAL HB . . 3.430 2.537 2.462 2.600 . 0 0 "[ . 1 . 2]" 1
1382 1 98 VAL H 1 98 VAL MG1 . . 4.090 3.769 3.763 3.787 . 0 0 "[ . 1 . 2]" 1
1383 1 98 VAL H 1 98 VAL MG2 . . 3.420 2.249 1.996 2.540 . 0 0 "[ . 1 . 2]" 1
1384 1 98 VAL H 1 99 TYR H . . 3.600 2.679 2.302 2.929 . 0 0 "[ . 1 . 2]" 1
1385 1 98 VAL H 1 99 TYR QB . . 5.340 4.377 4.060 4.605 . 0 0 "[ . 1 . 2]" 1
1386 1 98 VAL H 1 100 ASN H . . 4.990 4.234 3.908 4.561 . 0 0 "[ . 1 . 2]" 1
1387 1 98 VAL H 1 100 ASN QB . . 5.340 4.868 4.460 5.275 . 0 0 "[ . 1 . 2]" 1
1388 1 98 VAL HA 1 98 VAL MG1 . . 3.400 2.384 2.263 2.455 . 0 0 "[ . 1 . 2]" 1
1389 1 98 VAL HA 1 98 VAL MG2 . . 3.320 2.360 2.284 2.433 . 0 0 "[ . 1 . 2]" 1
1390 1 98 VAL HA 1 101 GLY H . . 4.750 3.954 3.598 4.246 . 0 0 "[ . 1 . 2]" 1
1391 1 98 VAL HB 1 99 TYR H . . 3.770 2.410 2.071 2.715 . 0 0 "[ . 1 . 2]" 1
1392 1 98 VAL HB 1 99 TYR QB . . 5.040 3.971 3.814 4.174 . 0 0 "[ . 1 . 2]" 1
1393 1 98 VAL MG1 1 99 TYR H . . 4.260 3.312 2.999 3.561 . 0 0 "[ . 1 . 2]" 1
1394 1 98 VAL MG1 1 99 TYR HA . . 4.460 3.440 3.202 3.586 . 0 0 "[ . 1 . 2]" 1
1395 1 98 VAL MG1 1 99 TYR QB . . 5.230 4.201 4.011 4.446 . 0 0 "[ . 1 . 2]" 1
1396 1 98 VAL MG1 1 102 TYR H . . 4.790 4.215 3.955 4.510 . 0 0 "[ . 1 . 2]" 1
1397 1 98 VAL MG1 1 102 TYR HB2 . . 5.500 3.988 3.755 4.326 . 0 0 "[ . 1 . 2]" 1
1398 1 98 VAL MG1 1 102 TYR QB . . 4.680 3.825 3.615 4.134 . 0 0 "[ . 1 . 2]" 1
1399 1 98 VAL MG1 1 102 TYR HB3 . . 5.500 4.925 4.655 5.250 . 0 0 "[ . 1 . 2]" 1
1400 1 98 VAL MG2 1 99 TYR H . . 4.490 3.757 3.604 3.881 . 0 0 "[ . 1 . 2]" 1
1401 1 99 TYR H 1 99 TYR HB2 . . 3.680 2.550 2.418 2.678 . 0 0 "[ . 1 . 2]" 1
1402 1 99 TYR H 1 99 TYR HB3 . . 3.680 2.520 2.387 2.657 . 0 0 "[ . 1 . 2]" 1
1403 1 99 TYR H 1 99 TYR QD . . 4.440 4.189 4.155 4.205 . 0 0 "[ . 1 . 2]" 1
1404 1 99 TYR H 1 100 ASN H . . 3.880 2.832 2.565 3.009 . 0 0 "[ . 1 . 2]" 1
1405 1 99 TYR H 1 101 GLY H . . 5.190 4.629 4.320 4.945 . 0 0 "[ . 1 . 2]" 1
1406 1 99 TYR HA 1 99 TYR QD . . 3.710 2.585 2.324 2.793 . 0 0 "[ . 1 . 2]" 1
1407 1 99 TYR HA 1 99 TYR QE . . 4.650 4.587 4.467 4.653 0.003 15 0 "[ . 1 . 2]" 1
1408 1 99 TYR HA 1 102 TYR H . . 4.190 3.710 3.377 3.962 . 0 0 "[ . 1 . 2]" 1
1409 1 99 TYR HA 1 102 TYR QB . . 4.140 2.973 2.812 3.199 . 0 0 "[ . 1 . 2]" 1
1410 1 99 TYR HA 1 102 TYR QD . . 5.450 4.365 4.057 4.605 . 0 0 "[ . 1 . 2]" 1
1411 1 99 TYR QB 1 100 ASN H . . 3.630 2.393 2.206 2.604 . 0 0 "[ . 1 . 2]" 1
1412 1 99 TYR QB 1 103 VAL MG2 . . 5.340 4.007 3.724 4.352 . 0 0 "[ . 1 . 2]" 1
1413 1 99 TYR QD 1 100 ASN H . . 4.090 3.374 2.961 3.702 . 0 0 "[ . 1 . 2]" 1
1414 1 99 TYR QD 1 100 ASN HA . . 4.010 3.510 3.073 3.823 . 0 0 "[ . 1 . 2]" 1
1415 1 99 TYR QD 1 103 VAL MG2 . . 3.540 3.017 2.669 3.348 . 0 0 "[ . 1 . 2]" 1
1416 1 99 TYR QE 1 100 ASN HA . . 4.930 4.653 4.303 4.930 0.000 4 0 "[ . 1 . 2]" 1
1417 1 99 TYR QE 1 103 VAL MG2 . . 3.700 2.632 2.150 3.016 . 0 0 "[ . 1 . 2]" 1
1418 1 100 ASN H 1 100 ASN HB2 . . 3.770 2.547 2.241 3.507 . 0 0 "[ . 1 . 2]" 1
1419 1 100 ASN H 1 100 ASN QB . . 3.190 2.303 2.169 2.560 . 0 0 "[ . 1 . 2]" 1
1420 1 100 ASN H 1 100 ASN HB3 . . 3.770 3.117 2.190 3.612 . 0 0 "[ . 1 . 2]" 1
1421 1 100 ASN H 1 101 GLY H . . 3.920 3.084 2.825 3.290 . 0 0 "[ . 1 . 2]" 1
1422 1 100 ASN H 1 102 TYR H . . 5.500 4.627 4.315 4.978 . 0 0 "[ . 1 . 2]" 1
1423 1 100 ASN HA 1 103 VAL H . . 4.280 3.750 3.418 4.078 . 0 0 "[ . 1 . 2]" 1
1424 1 100 ASN HA 1 103 VAL HB . . 3.790 3.083 2.676 3.255 . 0 0 "[ . 1 . 2]" 1
1425 1 100 ASN HA 1 103 VAL MG1 . . 4.440 4.201 3.867 4.347 . 0 0 "[ . 1 . 2]" 1
1426 1 100 ASN HA 1 103 VAL MG2 . . 3.430 2.492 2.022 2.938 . 0 0 "[ . 1 . 2]" 1
1427 1 100 ASN HA 1 104 ILE H . . 4.680 4.567 4.365 4.671 . 0 0 "[ . 1 . 2]" 1
1428 1 100 ASN QB 1 101 GLY H . . 3.610 2.357 1.977 3.233 . 0 0 "[ . 1 . 2]" 1
1429 1 100 ASN QB 1 104 ILE MD . . 4.270 3.675 3.076 4.263 . 0 0 "[ . 1 . 2]" 1
1430 1 100 ASN HB2 1 101 GLY H . . 4.150 2.971 2.122 3.862 . 0 0 "[ . 1 . 2]" 1
1431 1 100 ASN HB3 1 101 GLY H . . 4.150 2.805 1.989 3.487 . 0 0 "[ . 1 . 2]" 1
1432 1 101 GLY H 1 102 TYR H . . 3.660 3.052 2.865 3.229 . 0 0 "[ . 1 . 2]" 1
1433 1 101 GLY HA2 1 104 ILE H . . 4.520 3.832 3.572 4.028 . 0 0 "[ . 1 . 2]" 1
1434 1 101 GLY HA2 1 104 ILE HB . . 4.230 3.447 3.191 3.602 . 0 0 "[ . 1 . 2]" 1
1435 1 101 GLY HA2 1 104 ILE MD . . 3.900 2.692 2.278 2.983 . 0 0 "[ . 1 . 2]" 1
1436 1 101 GLY HA3 1 104 ILE HB . . 5.000 4.914 4.670 5.001 0.001 20 0 "[ . 1 . 2]" 1
1437 1 101 GLY HA3 1 104 ILE MD . . 4.570 4.219 3.864 4.465 . 0 0 "[ . 1 . 2]" 1
1438 1 102 TYR H 1 102 TYR HB2 . . 3.570 2.364 2.246 2.533 . 0 0 "[ . 1 . 2]" 1
1439 1 102 TYR H 1 102 TYR HB3 . . 3.570 2.729 2.526 2.861 . 0 0 "[ . 1 . 2]" 1
1440 1 102 TYR H 1 102 TYR QD . . 4.700 4.097 3.977 4.186 . 0 0 "[ . 1 . 2]" 1
1441 1 102 TYR H 1 103 VAL H . . 3.350 2.923 2.659 3.172 . 0 0 "[ . 1 . 2]" 1
1442 1 102 TYR H 1 104 ILE H . . 5.110 4.631 4.332 4.886 . 0 0 "[ . 1 . 2]" 1
1443 1 102 TYR HA 1 102 TYR QD . . 3.420 2.135 1.992 2.307 . 0 0 "[ . 1 . 2]" 1
1444 1 102 TYR HA 1 102 TYR QE . . 5.020 4.323 4.245 4.451 . 0 0 "[ . 1 . 2]" 1
1445 1 102 TYR HA 1 105 HIS H . . 4.060 3.406 3.196 3.570 . 0 0 "[ . 1 . 2]" 1
1446 1 102 TYR HA 1 105 HIS HB2 . . 4.130 3.040 2.785 3.341 . 0 0 "[ . 1 . 2]" 1
1447 1 102 TYR HA 1 105 HIS HB3 . . 3.850 2.428 2.089 3.006 . 0 0 "[ . 1 . 2]" 1
1448 1 102 TYR HA 1 106 LEU H . . 5.140 4.209 3.858 4.780 . 0 0 "[ . 1 . 2]" 1
1449 1 102 TYR QB 1 103 VAL H . . 3.980 2.343 2.084 2.648 . 0 0 "[ . 1 . 2]" 1
1450 1 102 TYR QB 1 103 VAL MG2 . . 4.690 3.253 3.098 3.456 . 0 0 "[ . 1 . 2]" 1
1451 1 102 TYR HB2 1 103 VAL MG2 . . 5.500 4.755 4.579 4.949 . 0 0 "[ . 1 . 2]" 1
1452 1 102 TYR HB3 1 103 VAL MG2 . . 5.500 3.313 3.146 3.527 . 0 0 "[ . 1 . 2]" 1
1453 1 102 TYR QD 1 103 VAL H . . 4.420 3.906 3.613 4.241 . 0 0 "[ . 1 . 2]" 1
1454 1 102 TYR QD 1 105 HIS H . . 5.210 4.946 4.649 5.210 0.000 2 0 "[ . 1 . 2]" 1
1455 1 102 TYR QD 1 105 HIS HB2 . . 4.410 4.007 3.597 4.326 . 0 0 "[ . 1 . 2]" 1
1456 1 102 TYR QD 1 105 HIS HB3 . . 4.260 3.061 2.704 3.305 . 0 0 "[ . 1 . 2]" 1
1457 1 102 TYR QD 1 106 LEU MD1 . . 5.050 3.831 3.132 4.812 . 0 0 "[ . 1 . 2]" 1
1458 1 102 TYR QD 1 106 LEU QD . . 4.370 3.333 2.682 3.852 . 0 0 "[ . 1 . 2]" 1
1459 1 102 TYR QD 1 106 LEU MD2 . . 5.050 4.224 2.698 5.014 . 0 0 "[ . 1 . 2]" 1
1460 1 102 TYR QE 1 105 HIS HB3 . . 5.500 4.293 3.829 4.703 . 0 0 "[ . 1 . 2]" 1
1461 1 102 TYR QE 1 105 HIS HD2 . . 4.100 3.266 2.695 4.089 . 0 0 "[ . 1 . 2]" 1
1462 1 102 TYR QE 1 106 LEU H . . 5.500 5.261 4.887 5.499 . 0 0 "[ . 1 . 2]" 1
1463 1 102 TYR QE 1 106 LEU MD1 . . 3.870 2.957 2.394 3.795 . 0 0 "[ . 1 . 2]" 1
1464 1 102 TYR QE 1 106 LEU MD2 . . 3.870 3.301 2.324 3.851 . 0 0 "[ . 1 . 2]" 1
1465 1 103 VAL H 1 103 VAL HB . . 3.440 2.632 2.521 2.734 . 0 0 "[ . 1 . 2]" 1
1466 1 103 VAL H 1 103 VAL MG1 . . 3.900 3.773 3.762 3.790 . 0 0 "[ . 1 . 2]" 1
1467 1 103 VAL H 1 103 VAL MG2 . . 3.180 2.073 1.890 2.307 . 0 0 "[ . 1 . 2]" 1
1468 1 103 VAL H 1 104 ILE H . . 3.840 3.060 2.835 3.189 . 0 0 "[ . 1 . 2]" 1
1469 1 103 VAL HA 1 103 VAL MG1 . . 3.180 2.344 2.273 2.420 . 0 0 "[ . 1 . 2]" 1
1470 1 103 VAL HA 1 103 VAL MG2 . . 3.240 2.336 2.236 2.436 . 0 0 "[ . 1 . 2]" 1
1471 1 103 VAL HA 1 106 LEU QB . . 4.370 3.312 2.939 3.723 . 0 0 "[ . 1 . 2]" 1
1472 1 103 VAL HA 1 106 LEU QD . . 4.360 3.570 2.777 4.018 . 0 0 "[ . 1 . 2]" 1
1473 1 103 VAL HA 1 106 LEU HG . . 5.500 4.704 4.083 5.494 . 0 0 "[ . 1 . 2]" 1
1474 1 103 VAL HB 1 104 ILE H . . 3.710 2.296 2.110 2.600 . 0 0 "[ . 1 . 2]" 1
1475 1 103 VAL HB 1 104 ILE HA . . 4.740 4.265 4.141 4.358 . 0 0 "[ . 1 . 2]" 1
1476 1 103 VAL MG1 1 104 ILE H . . 3.810 3.114 2.768 3.411 . 0 0 "[ . 1 . 2]" 1
1477 1 103 VAL MG1 1 104 ILE HA . . 4.090 3.335 3.085 3.472 . 0 0 "[ . 1 . 2]" 1
1478 1 103 VAL MG1 1 104 ILE HG12 . . 4.620 4.387 4.023 4.620 . 0 0 "[ . 1 . 2]" 1
1479 1 103 VAL MG1 1 104 ILE HG13 . . 3.560 3.288 3.085 3.543 . 0 0 "[ . 1 . 2]" 1
1480 1 103 VAL MG2 1 104 ILE H . . 4.130 3.740 3.635 3.861 . 0 0 "[ . 1 . 2]" 1
1481 1 104 ILE H 1 104 ILE HB . . 3.430 2.515 2.461 2.589 . 0 0 "[ . 1 . 2]" 1
1482 1 104 ILE H 1 104 ILE MD . . 3.730 2.708 1.855 3.333 . 0 0 "[ . 1 . 2]" 1
1483 1 104 ILE H 1 104 ILE HG12 . . 3.870 3.694 3.447 3.873 0.003 10 0 "[ . 1 . 2]" 1
1484 1 104 ILE H 1 104 ILE HG13 . . 3.700 2.480 2.005 3.060 . 0 0 "[ . 1 . 2]" 1
1485 1 104 ILE H 1 104 ILE MG . . 3.890 3.760 3.753 3.767 . 0 0 "[ . 1 . 2]" 1
1486 1 104 ILE H 1 105 HIS H . . 3.860 2.703 2.587 2.893 . 0 0 "[ . 1 . 2]" 1
1487 1 104 ILE HA 1 104 ILE MD . . 4.090 3.649 3.282 3.888 . 0 0 "[ . 1 . 2]" 1
1488 1 104 ILE HA 1 104 ILE HG12 . . 3.500 3.037 2.657 3.510 0.010 13 0 "[ . 1 . 2]" 1
1489 1 104 ILE HA 1 104 ILE HG13 . . 3.480 2.572 2.263 2.846 . 0 0 "[ . 1 . 2]" 1
1490 1 104 ILE HA 1 104 ILE MG . . 3.190 2.413 2.359 2.475 . 0 0 "[ . 1 . 2]" 1
1491 1 104 ILE HA 1 107 ASP H . . 3.730 3.200 2.912 3.518 . 0 0 "[ . 1 . 2]" 1
1492 1 104 ILE HA 1 107 ASP HB2 . . 4.380 2.492 2.031 4.301 . 0 0 "[ . 1 . 2]" 1
1493 1 104 ILE HA 1 107 ASP QB . . 3.740 2.361 2.001 2.880 . 0 0 "[ . 1 . 2]" 1
1494 1 104 ILE HA 1 107 ASP HB3 . . 4.380 3.478 2.419 4.289 . 0 0 "[ . 1 . 2]" 1
1495 1 104 ILE HA 1 108 TYR H . . 5.500 5.092 4.648 5.483 . 0 0 "[ . 1 . 2]" 1
1496 1 104 ILE HB 1 104 ILE MD . . 3.260 2.215 2.080 2.339 . 0 0 "[ . 1 . 2]" 1
1497 1 104 ILE HB 1 105 HIS H . . 3.800 2.578 2.350 2.768 . 0 0 "[ . 1 . 2]" 1
1498 1 104 ILE HG12 1 104 ILE MG . . 3.270 2.166 2.013 2.292 . 0 0 "[ . 1 . 2]" 1
1499 1 104 ILE HG12 1 105 HIS H . . 5.320 5.081 4.948 5.241 . 0 0 "[ . 1 . 2]" 1
1500 1 104 ILE HG13 1 104 ILE MG . . 3.370 2.976 2.662 3.181 . 0 0 "[ . 1 . 2]" 1
1501 1 104 ILE MG 1 105 HIS H . . 4.100 3.361 3.081 3.555 . 0 0 "[ . 1 . 2]" 1
1502 1 104 ILE MG 1 105 HIS HA . . 4.020 3.403 3.195 3.568 . 0 0 "[ . 1 . 2]" 1
1503 1 104 ILE MG 1 105 HIS HB2 . . 4.860 4.661 4.464 4.820 . 0 0 "[ . 1 . 2]" 1
1504 1 104 ILE MG 1 106 LEU H . . 5.250 4.838 4.571 5.150 . 0 0 "[ . 1 . 2]" 1
1505 1 104 ILE MG 1 107 ASP H . . 5.450 4.188 3.853 4.651 . 0 0 "[ . 1 . 2]" 1
1506 1 104 ILE MG 1 107 ASP HB2 . . 4.690 3.325 2.840 3.957 . 0 0 "[ . 1 . 2]" 1
1507 1 104 ILE MG 1 107 ASP HB3 . . 4.690 3.464 2.763 4.635 . 0 0 "[ . 1 . 2]" 1
1508 1 104 ILE MG 1 108 TYR H . . 4.990 4.598 4.238 4.815 . 0 0 "[ . 1 . 2]" 1
1509 1 104 ILE MG 1 108 TYR HB3 . . 5.500 5.321 4.762 5.498 . 0 0 "[ . 1 . 2]" 1
1510 1 105 HIS H 1 105 HIS HB2 . . 3.420 2.531 2.345 2.689 . 0 0 "[ . 1 . 2]" 1
1511 1 105 HIS H 1 105 HIS HB3 . . 3.550 2.556 2.380 2.742 . 0 0 "[ . 1 . 2]" 1
1512 1 105 HIS H 1 106 LEU H . . 3.710 2.868 2.647 3.160 . 0 0 "[ . 1 . 2]" 1
1513 1 105 HIS HB2 1 106 LEU H . . 4.020 3.895 3.647 4.021 0.001 10 0 "[ . 1 . 2]" 1
1514 1 105 HIS HB3 1 106 LEU H . . 3.820 2.591 2.199 2.824 . 0 0 "[ . 1 . 2]" 1
1515 1 105 HIS HB3 1 106 LEU QD . . 4.910 3.703 2.235 4.398 . 0 0 "[ . 1 . 2]" 1
1516 1 105 HIS HB3 1 106 LEU HG . . 5.500 4.234 3.257 5.501 0.001 9 0 "[ . 1 . 2]" 1
1517 1 105 HIS HD2 1 106 LEU H . . 4.960 3.761 2.822 4.456 . 0 0 "[ . 1 . 2]" 1
1518 1 105 HIS HD2 1 106 LEU HA . . 4.770 3.410 2.425 4.108 . 0 0 "[ . 1 . 2]" 1
1519 1 105 HIS HD2 1 106 LEU QD . . 3.430 2.685 1.962 3.281 . 0 0 "[ . 1 . 2]" 1
1520 1 105 HIS HD2 1 106 LEU HG . . 4.890 3.660 2.417 4.878 . 0 0 "[ . 1 . 2]" 1
1521 1 106 LEU H 1 106 LEU HB2 . . 3.800 2.227 2.161 2.356 . 0 0 "[ . 1 . 2]" 1
1522 1 106 LEU H 1 106 LEU QB . . 3.220 2.204 2.141 2.325 . 0 0 "[ . 1 . 2]" 1
1523 1 106 LEU H 1 106 LEU HB3 . . 3.800 3.518 3.475 3.597 . 0 0 "[ . 1 . 2]" 1
1524 1 106 LEU H 1 106 LEU MD1 . . 4.120 3.694 1.980 4.076 . 0 0 "[ . 1 . 2]" 1
1525 1 106 LEU H 1 106 LEU QD . . 3.610 3.001 1.826 3.515 . 0 0 "[ . 1 . 2]" 1
1526 1 106 LEU H 1 106 LEU MD2 . . 4.120 3.440 1.830 3.927 . 0 0 "[ . 1 . 2]" 1
1527 1 106 LEU H 1 106 LEU HG . . 4.060 3.221 2.671 4.064 0.004 9 0 "[ . 1 . 2]" 1
1528 1 106 LEU HA 1 106 LEU MD1 . . 4.200 3.333 2.018 3.889 . 0 0 "[ . 1 . 2]" 1
1529 1 106 LEU HA 1 106 LEU QD . . 2.810 2.054 1.900 2.512 . 0 0 "[ . 1 . 2]" 1
1530 1 106 LEU HA 1 106 LEU MD2 . . 4.200 2.280 1.929 3.810 . 0 0 "[ . 1 . 2]" 1
1531 1 106 LEU HA 1 106 LEU HG . . 3.950 3.038 2.496 3.725 . 0 0 "[ . 1 . 2]" 1
1532 1 106 LEU HA 1 108 TYR H . . 4.480 3.595 3.399 3.933 . 0 0 "[ . 1 . 2]" 1
1533 1 106 LEU HA 1 108 TYR QE . . 4.870 2.698 2.281 3.347 . 0 0 "[ . 1 . 2]" 1
1534 1 106 LEU QB 1 106 LEU QD . . 2.640 1.950 1.895 2.080 . 0 0 "[ . 1 . 2]" 1
1535 1 106 LEU QB 1 107 ASP H . . 4.340 2.766 2.556 2.996 . 0 0 "[ . 1 . 2]" 1
1536 1 106 LEU HB2 1 106 LEU MD1 . . 3.400 2.496 2.141 3.193 . 0 0 "[ . 1 . 2]" 1
1537 1 106 LEU HB2 1 106 LEU MD2 . . 3.400 2.946 2.296 3.193 . 0 0 "[ . 1 . 2]" 1
1538 1 106 LEU HB2 1 108 TYR H . . 5.150 5.017 4.906 5.148 . 0 0 "[ . 1 . 2]" 1
1539 1 106 LEU HB3 1 106 LEU MD1 . . 3.400 2.419 2.225 3.191 . 0 0 "[ . 1 . 2]" 1
1540 1 106 LEU HB3 1 106 LEU MD2 . . 3.400 2.521 2.255 3.195 . 0 0 "[ . 1 . 2]" 1
1541 1 106 LEU HB3 1 108 TYR H . . 5.150 4.900 4.753 5.141 . 0 0 "[ . 1 . 2]" 1
1542 1 106 LEU QD 1 107 ASP H . . 5.300 4.098 3.746 4.308 . 0 0 "[ . 1 . 2]" 1
1543 1 106 LEU QD 1 108 TYR H . . 5.220 4.765 4.507 5.070 . 0 0 "[ . 1 . 2]" 1
1544 1 106 LEU QD 1 108 TYR QE . . 3.840 2.581 2.089 3.827 . 0 0 "[ . 1 . 2]" 1
1545 1 106 LEU MD1 1 108 TYR QE . . 4.970 4.346 2.682 4.948 . 0 0 "[ . 1 . 2]" 1
1546 1 106 LEU MD2 1 108 TYR QE . . 4.970 2.994 2.093 4.934 . 0 0 "[ . 1 . 2]" 1
1547 1 107 ASP H 1 107 ASP HB2 . . 3.720 2.383 2.186 3.488 . 0 0 "[ . 1 . 2]" 1
1548 1 107 ASP H 1 107 ASP QB . . 3.100 2.241 2.134 2.494 . 0 0 "[ . 1 . 2]" 1
1549 1 107 ASP H 1 107 ASP HB3 . . 3.720 3.063 2.189 3.598 . 0 0 "[ . 1 . 2]" 1
1550 1 107 ASP H 1 108 TYR HB3 . . 5.500 4.809 4.653 4.926 . 0 0 "[ . 1 . 2]" 1
1551 1 107 ASP QB 1 108 TYR H . . 3.420 2.915 2.612 3.420 . 0 0 "[ . 1 . 2]" 1
1552 1 107 ASP HB2 1 108 TYR H . . 4.080 3.633 2.986 4.070 . 0 0 "[ . 1 . 2]" 1
1553 1 107 ASP HB3 1 108 TYR H . . 4.080 3.260 2.667 4.060 . 0 0 "[ . 1 . 2]" 1
1554 1 108 TYR H 1 108 TYR HB2 . . 3.620 3.507 3.482 3.542 . 0 0 "[ . 1 . 2]" 1
1555 1 108 TYR H 1 108 TYR HB3 . . 3.190 2.210 2.181 2.269 . 0 0 "[ . 1 . 2]" 1
1556 1 108 TYR H 1 108 TYR QD . . 3.940 2.453 2.113 2.711 . 0 0 "[ . 1 . 2]" 1
1557 1 108 TYR HA 1 108 TYR QD . . 3.710 3.701 3.679 3.719 0.009 13 0 "[ . 1 . 2]" 1
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