NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403473 |
1wjs   |
10032 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wjs
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 1886
_Distance_constraint_stats_list.Viol_count 479
_Distance_constraint_stats_list.Viol_total 79.814
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0083
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.025 0.007 6 0 "[ . 1 . 2]"
1 13 GLY 0.010 0.005 15 0 "[ . 1 . 2]"
1 14 PHE 0.018 0.004 16 0 "[ . 1 . 2]"
1 15 LYS 0.035 0.013 10 0 "[ . 1 . 2]"
1 16 VAL 0.136 0.036 10 0 "[ . 1 . 2]"
1 17 GLY 0.112 0.036 10 0 "[ . 1 . 2]"
1 18 MET 0.298 0.074 7 0 "[ . 1 . 2]"
1 19 LYS 0.034 0.013 9 0 "[ . 1 . 2]"
1 20 LEU 0.024 0.013 9 0 "[ . 1 . 2]"
1 21 GLU 0.007 0.005 14 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.158 0.025 10 0 "[ . 1 . 2]"
1 24 ASP 0.110 0.041 1 0 "[ . 1 . 2]"
1 25 PRO 0.034 0.013 6 0 "[ . 1 . 2]"
1 26 GLU 0.065 0.023 11 0 "[ . 1 . 2]"
1 27 HIS 0.212 0.027 14 0 "[ . 1 . 2]"
1 28 GLN 0.277 0.036 3 0 "[ . 1 . 2]"
1 29 SER 0.264 0.036 3 0 "[ . 1 . 2]"
1 30 VAL 0.197 0.041 1 0 "[ . 1 . 2]"
1 31 TYR 0.023 0.008 11 0 "[ . 1 . 2]"
1 32 CYS 0.019 0.007 18 0 "[ . 1 . 2]"
1 33 VAL 0.066 0.010 3 0 "[ . 1 . 2]"
1 34 LEU 0.003 0.001 1 0 "[ . 1 . 2]"
1 35 THR 0.008 0.003 3 0 "[ . 1 . 2]"
1 36 VAL 0.312 0.074 7 0 "[ . 1 . 2]"
1 37 ALA 0.035 0.016 10 0 "[ . 1 . 2]"
1 38 GLU 0.032 0.008 7 0 "[ . 1 . 2]"
1 39 VAL 0.014 0.004 10 0 "[ . 1 . 2]"
1 40 CYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ARG 0.027 0.009 16 0 "[ . 1 . 2]"
1 44 ILE 0.026 0.007 6 0 "[ . 1 . 2]"
1 45 LYS 0.027 0.008 7 0 "[ . 1 . 2]"
1 46 LEU 0.037 0.008 16 0 "[ . 1 . 2]"
1 47 HIS 0.007 0.004 3 0 "[ . 1 . 2]"
1 48 PHE 0.001 0.001 15 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 14 0 "[ . 1 . 2]"
1 51 TYR 0.010 0.005 10 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 TYR 0.015 0.009 5 0 "[ . 1 . 2]"
1 56 ASP 0.001 0.001 4 0 "[ . 1 . 2]"
1 57 PHE 0.005 0.003 16 0 "[ . 1 . 2]"
1 58 TRP 0.003 0.003 2 0 "[ . 1 . 2]"
1 59 VAL 0.042 0.008 16 0 "[ . 1 . 2]"
1 60 ASN 0.016 0.009 16 0 "[ . 1 . 2]"
1 61 ALA 0.090 0.033 6 0 "[ . 1 . 2]"
1 62 ASP 0.079 0.033 6 0 "[ . 1 . 2]"
1 63 ALA 0.005 0.003 6 0 "[ . 1 . 2]"
1 64 LEU 0.002 0.002 15 0 "[ . 1 . 2]"
1 65 ASP 0.012 0.004 12 0 "[ . 1 . 2]"
1 66 ILE 0.015 0.006 6 0 "[ . 1 . 2]"
1 67 HIS 0.005 0.004 10 0 "[ . 1 . 2]"
1 68 PRO 0.008 0.004 10 0 "[ . 1 . 2]"
1 69 VAL 0.017 0.007 3 0 "[ . 1 . 2]"
1 70 GLY 0.001 0.001 15 0 "[ . 1 . 2]"
1 71 TRP 0.007 0.004 20 0 "[ . 1 . 2]"
1 72 CYS 0.006 0.003 20 0 "[ . 1 . 2]"
1 73 GLU 0.107 0.071 19 0 "[ . 1 . 2]"
1 74 LYS 0.126 0.071 20 0 "[ . 1 . 2]"
1 75 THR 0.097 0.071 20 0 "[ . 1 . 2]"
1 76 GLY 0.019 0.016 20 0 "[ . 1 . 2]"
1 77 HIS 0.008 0.008 15 0 "[ . 1 . 2]"
1 78 LYS 0.204 0.087 17 0 "[ . 1 . 2]"
1 79 LEU 0.037 0.008 20 0 "[ . 1 . 2]"
1 80 HIS 0.015 0.003 16 0 "[ . 1 . 2]"
1 81 PRO 0.067 0.012 15 0 "[ . 1 . 2]"
1 82 PRO 0.004 0.003 5 0 "[ . 1 . 2]"
1 83 LYS 0.279 0.086 15 0 "[ . 1 . 2]"
1 84 GLY 0.001 0.001 16 0 "[ . 1 . 2]"
1 85 TYR 0.142 0.031 19 0 "[ . 1 . 2]"
1 86 LYS 0.119 0.059 15 0 "[ . 1 . 2]"
1 87 GLU 0.002 0.001 16 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.047 0.045 10 0 "[ . 1 . 2]"
1 90 PHE 0.021 0.008 10 0 "[ . 1 . 2]"
1 91 ASN 0.088 0.031 7 0 "[ . 1 . 2]"
1 92 TRP 0.077 0.010 3 0 "[ . 1 . 2]"
1 93 GLN 0.122 0.043 2 0 "[ . 1 . 2]"
1 94 THR 0.091 0.031 7 0 "[ . 1 . 2]"
1 95 TYR 0.013 0.008 10 0 "[ . 1 . 2]"
1 96 LEU 0.044 0.008 10 0 "[ . 1 . 2]"
1 97 LYS 0.047 0.018 15 0 "[ . 1 . 2]"
1 98 THR 0.035 0.018 15 0 "[ . 1 . 2]"
1 99 CYS 0.131 0.025 9 0 "[ . 1 . 2]"
1 100 LYS 0.280 0.036 9 0 "[ . 1 . 2]"
1 101 ALA 0.020 0.007 3 0 "[ . 1 . 2]"
1 102 GLN 0.024 0.011 9 0 "[ . 1 . 2]"
1 103 ALA 0.016 0.008 14 0 "[ . 1 . 2]"
1 104 ALA 0.013 0.005 12 0 "[ . 1 . 2]"
1 105 PRO 0.028 0.014 13 0 "[ . 1 . 2]"
1 106 LYS 0.022 0.014 13 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 LEU 0.022 0.005 3 0 "[ . 1 . 2]"
1 109 PHE 0.026 0.006 6 0 "[ . 1 . 2]"
1 110 GLU 0.093 0.054 13 0 "[ . 1 . 2]"
1 111 ASN 0.057 0.016 5 0 "[ . 1 . 2]"
1 112 GLN 0.059 0.032 5 0 "[ . 1 . 2]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ILE 0.016 0.016 3 0 "[ . 1 . 2]"
1 115 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 0.629 0.128 5 0 "[ . 1 . 2]"
1 117 ILE 0.021 0.009 5 0 "[ . 1 . 2]"
1 118 PRO 0.012 0.007 3 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 7 GLY QA 1 8 PRO QD . . 3.120 1.962 1.872 2.051 . 0 0 "[ . 1 . 2]" 1
2 1 8 PRO QG 1 9 TYR H . . 4.990 4.108 2.907 4.753 . 0 0 "[ . 1 . 2]" 1
3 1 9 TYR HA 1 9 TYR QD . . 3.800 3.040 2.379 3.725 . 0 0 "[ . 1 . 2]" 1
4 1 11 LYS HA 1 12 ASN H . . 3.290 2.238 2.144 2.509 . 0 0 "[ . 1 . 2]" 1
5 1 11 LYS HA 1 12 ASN HB2 . . 4.820 4.509 4.331 4.641 . 0 0 "[ . 1 . 2]" 1
6 1 11 LYS HA 1 12 ASN HB3 . . 4.820 4.670 4.546 4.790 . 0 0 "[ . 1 . 2]" 1
7 1 11 LYS HA 1 39 VAL MG1 . . 3.570 2.961 1.933 3.555 . 0 0 "[ . 1 . 2]" 1
8 1 11 LYS HA 1 61 ALA MB . . 5.330 5.151 4.831 5.318 . 0 0 "[ . 1 . 2]" 1
9 1 12 ASN H 1 12 ASN HB2 . . 4.170 2.744 2.572 2.981 . 0 0 "[ . 1 . 2]" 1
10 1 12 ASN H 1 12 ASN HB3 . . 4.170 2.503 2.345 2.673 . 0 0 "[ . 1 . 2]" 1
11 1 12 ASN H 1 39 VAL MG1 . . 3.770 3.246 2.741 3.638 . 0 0 "[ . 1 . 2]" 1
12 1 12 ASN H 1 44 ILE MG . . 4.100 4.063 3.876 4.107 0.007 6 0 "[ . 1 . 2]" 1
13 1 12 ASN HA 1 13 GLY H . . 3.570 3.342 2.792 3.575 0.005 15 0 "[ . 1 . 2]" 1
14 1 12 ASN HA 1 14 PHE H . . 5.130 4.855 4.301 5.116 . 0 0 "[ . 1 . 2]" 1
15 1 12 ASN QB 1 61 ALA MB . . 3.860 2.022 1.821 2.586 . 0 0 "[ . 1 . 2]" 1
16 1 12 ASN HB2 1 13 GLY H . . 5.020 4.103 3.594 4.627 . 0 0 "[ . 1 . 2]" 1
17 1 12 ASN HB2 1 61 ALA MB . . 4.710 2.335 1.902 3.551 . 0 0 "[ . 1 . 2]" 1
18 1 12 ASN HB3 1 13 GLY H . . 5.020 3.056 2.122 4.236 . 0 0 "[ . 1 . 2]" 1
19 1 12 ASN HB3 1 61 ALA MB . . 4.710 2.364 2.082 2.656 . 0 0 "[ . 1 . 2]" 1
20 1 13 GLY H 1 14 PHE H . . 3.650 2.254 1.826 2.984 . 0 0 "[ . 1 . 2]" 1
21 1 13 GLY H 1 14 PHE HB2 . . 4.650 4.008 3.572 4.644 . 0 0 "[ . 1 . 2]" 1
22 1 13 GLY H 1 39 VAL MG1 . . 4.450 3.832 2.832 4.420 . 0 0 "[ . 1 . 2]" 1
23 1 13 GLY H 1 108 LEU MD2 . . 4.320 4.003 3.210 4.316 . 0 0 "[ . 1 . 2]" 1
24 1 13 GLY QA 1 108 LEU MD2 . . 3.100 2.344 2.009 2.577 . 0 0 "[ . 1 . 2]" 1
25 1 13 GLY HA2 1 108 LEU MD2 . . 3.820 3.625 3.240 3.821 0.001 13 0 "[ . 1 . 2]" 1
26 1 13 GLY HA3 1 108 LEU MD2 . . 3.820 2.374 2.029 2.624 . 0 0 "[ . 1 . 2]" 1
27 1 14 PHE H 1 14 PHE HB2 . . 3.260 2.319 2.184 2.465 . 0 0 "[ . 1 . 2]" 1
28 1 14 PHE H 1 14 PHE HB3 . . 3.730 3.559 3.492 3.672 . 0 0 "[ . 1 . 2]" 1
29 1 14 PHE H 1 14 PHE QD . . 3.330 2.548 2.007 3.162 . 0 0 "[ . 1 . 2]" 1
30 1 14 PHE H 1 39 VAL MG1 . . 4.110 3.673 2.999 3.998 . 0 0 "[ . 1 . 2]" 1
31 1 14 PHE H 1 39 VAL MG2 . . 4.660 4.342 3.718 4.654 . 0 0 "[ . 1 . 2]" 1
32 1 14 PHE H 1 44 ILE MG . . 4.030 3.776 3.520 4.014 . 0 0 "[ . 1 . 2]" 1
33 1 14 PHE H 1 61 ALA MB . . 4.870 4.663 4.395 4.873 0.003 15 0 "[ . 1 . 2]" 1
34 1 14 PHE H 1 108 LEU MD1 . . 4.340 4.012 3.586 4.340 . 0 0 "[ . 1 . 2]" 1
35 1 14 PHE H 1 108 LEU MD2 . . 4.170 2.902 2.398 3.829 . 0 0 "[ . 1 . 2]" 1
36 1 14 PHE HA 1 14 PHE QD . . 3.800 2.814 2.360 3.110 . 0 0 "[ . 1 . 2]" 1
37 1 14 PHE HA 1 15 LYS H . . 3.000 2.293 2.147 2.496 . 0 0 "[ . 1 . 2]" 1
38 1 14 PHE HA 1 15 LYS QG . . 4.390 3.425 3.120 3.695 . 0 0 "[ . 1 . 2]" 1
39 1 14 PHE HA 1 18 MET ME . . 3.100 2.471 1.898 3.046 . 0 0 "[ . 1 . 2]" 1
40 1 14 PHE HA 1 36 VAL MG2 . . 4.560 4.217 3.849 4.562 0.002 1 0 "[ . 1 . 2]" 1
41 1 14 PHE HA 1 44 ILE MG . . 4.760 4.480 4.240 4.742 . 0 0 "[ . 1 . 2]" 1
42 1 14 PHE HA 1 108 LEU MD1 . . 3.430 2.405 1.977 2.782 . 0 0 "[ . 1 . 2]" 1
43 1 14 PHE HA 1 108 LEU MD2 . . 4.660 2.851 2.196 3.527 . 0 0 "[ . 1 . 2]" 1
44 1 14 PHE HB2 1 36 VAL MG2 . . 4.970 4.328 3.787 4.971 0.001 3 0 "[ . 1 . 2]" 1
45 1 14 PHE HB2 1 39 VAL MG1 . . 3.850 2.739 2.084 2.967 . 0 0 "[ . 1 . 2]" 1
46 1 14 PHE HB2 1 39 VAL MG2 . . 3.870 2.804 2.072 3.187 . 0 0 "[ . 1 . 2]" 1
47 1 14 PHE HB2 1 44 ILE HB . . 4.960 4.110 3.758 4.509 . 0 0 "[ . 1 . 2]" 1
48 1 14 PHE HB2 1 44 ILE MD . . 4.610 3.655 3.167 4.240 . 0 0 "[ . 1 . 2]" 1
49 1 14 PHE HB2 1 44 ILE MG . . 3.390 2.059 1.941 2.287 . 0 0 "[ . 1 . 2]" 1
50 1 14 PHE HB2 1 61 ALA MB . . 5.190 4.569 4.179 4.902 . 0 0 "[ . 1 . 2]" 1
51 1 14 PHE HB2 1 108 LEU MD1 . . 5.160 4.411 3.935 4.805 . 0 0 "[ . 1 . 2]" 1
52 1 14 PHE HB3 1 15 LYS H . . 3.930 2.787 2.236 3.333 . 0 0 "[ . 1 . 2]" 1
53 1 14 PHE HB3 1 18 MET ME . . 4.800 3.912 3.241 4.602 . 0 0 "[ . 1 . 2]" 1
54 1 14 PHE HB3 1 36 VAL MG2 . . 3.660 2.890 2.357 3.541 . 0 0 "[ . 1 . 2]" 1
55 1 14 PHE HB3 1 39 VAL MG1 . . 3.970 3.623 2.980 3.974 0.004 16 0 "[ . 1 . 2]" 1
56 1 14 PHE HB3 1 39 VAL MG2 . . 3.960 2.642 1.988 3.087 . 0 0 "[ . 1 . 2]" 1
57 1 14 PHE HB3 1 44 ILE HB . . 5.220 3.958 3.709 4.238 . 0 0 "[ . 1 . 2]" 1
58 1 14 PHE HB3 1 44 ILE MD . . 4.690 3.531 3.118 3.933 . 0 0 "[ . 1 . 2]" 1
59 1 14 PHE HB3 1 44 ILE MG . . 3.570 2.682 2.137 3.043 . 0 0 "[ . 1 . 2]" 1
60 1 14 PHE HB3 1 108 LEU MD1 . . 4.860 4.059 3.691 4.484 . 0 0 "[ . 1 . 2]" 1
61 1 14 PHE QD 1 15 LYS H . . 4.080 3.365 2.804 3.901 . 0 0 "[ . 1 . 2]" 1
62 1 14 PHE QD 1 20 LEU MD2 . . 3.990 3.657 3.179 3.973 . 0 0 "[ . 1 . 2]" 1
63 1 14 PHE QD 1 36 VAL MG1 . . 4.530 3.689 2.809 4.206 . 0 0 "[ . 1 . 2]" 1
64 1 14 PHE QD 1 36 VAL MG2 . . 3.350 2.465 2.014 2.839 . 0 0 "[ . 1 . 2]" 1
65 1 14 PHE QD 1 39 VAL MG1 . . 4.350 4.118 3.569 4.341 . 0 0 "[ . 1 . 2]" 1
66 1 14 PHE QD 1 39 VAL MG2 . . 4.680 4.165 3.715 4.522 . 0 0 "[ . 1 . 2]" 1
67 1 14 PHE QD 1 44 ILE MD . . 4.010 2.865 2.639 3.220 . 0 0 "[ . 1 . 2]" 1
68 1 14 PHE QD 1 44 ILE MG . . 3.600 2.536 2.103 3.155 . 0 0 "[ . 1 . 2]" 1
69 1 14 PHE QD 1 61 ALA MB . . 3.420 3.163 2.807 3.422 0.002 6 0 "[ . 1 . 2]" 1
70 1 14 PHE QD 1 104 ALA MB . . 4.360 3.748 3.378 4.259 . 0 0 "[ . 1 . 2]" 1
71 1 14 PHE QD 1 108 LEU MD1 . . 4.090 2.739 2.371 3.356 . 0 0 "[ . 1 . 2]" 1
72 1 14 PHE QD 1 108 LEU MD2 . . 4.460 3.012 2.577 3.642 . 0 0 "[ . 1 . 2]" 1
73 1 14 PHE QE 1 20 LEU QB . . 4.470 3.615 3.326 4.166 . 0 0 "[ . 1 . 2]" 1
74 1 14 PHE QE 1 20 LEU MD1 . . 3.680 2.409 2.043 2.952 . 0 0 "[ . 1 . 2]" 1
75 1 14 PHE QE 1 20 LEU MD2 . . 3.990 3.360 2.909 3.968 . 0 0 "[ . 1 . 2]" 1
76 1 14 PHE QE 1 36 VAL MG2 . . 4.230 3.793 2.929 4.230 0.000 4 0 "[ . 1 . 2]" 1
77 1 14 PHE QE 1 44 ILE MD . . 4.170 2.853 2.404 3.253 . 0 0 "[ . 1 . 2]" 1
78 1 14 PHE QE 1 44 ILE MG . . 4.570 3.723 3.303 4.346 . 0 0 "[ . 1 . 2]" 1
79 1 14 PHE QE 1 61 ALA HA . . 4.280 3.127 2.593 3.922 . 0 0 "[ . 1 . 2]" 1
80 1 14 PHE QE 1 61 ALA MB . . 3.580 3.410 2.724 3.584 0.004 16 0 "[ . 1 . 2]" 1
81 1 14 PHE QE 1 66 ILE MD . . 3.870 3.107 2.747 3.432 . 0 0 "[ . 1 . 2]" 1
82 1 14 PHE QE 1 108 LEU HB2 . . 4.640 4.198 3.710 4.634 . 0 0 "[ . 1 . 2]" 1
83 1 14 PHE QE 1 108 LEU MD1 . . 4.080 2.789 2.320 3.462 . 0 0 "[ . 1 . 2]" 1
84 1 14 PHE QE 1 108 LEU MD2 . . 4.460 3.177 2.355 3.920 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE HZ 1 44 ILE MD . . 4.780 3.342 2.887 3.896 . 0 0 "[ . 1 . 2]" 1
86 1 14 PHE HZ 1 66 ILE MD . . 3.760 2.317 1.978 2.602 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE HZ 1 104 ALA MB . . 5.270 5.006 4.428 5.271 0.001 5 0 "[ . 1 . 2]" 1
88 1 14 PHE HZ 1 109 PHE QE . . 3.990 3.155 2.776 3.944 . 0 0 "[ . 1 . 2]" 1
89 1 15 LYS H 1 15 LYS HB3 . . 4.030 3.867 3.718 3.945 . 0 0 "[ . 1 . 2]" 1
90 1 15 LYS H 1 15 LYS HG2 . . 4.300 3.446 2.797 4.074 . 0 0 "[ . 1 . 2]" 1
91 1 15 LYS H 1 15 LYS QG . . 3.590 2.906 2.622 3.187 . 0 0 "[ . 1 . 2]" 1
92 1 15 LYS H 1 15 LYS HG3 . . 4.300 3.473 2.705 4.298 . 0 0 "[ . 1 . 2]" 1
93 1 15 LYS H 1 16 VAL H . . 4.760 4.412 4.320 4.516 . 0 0 "[ . 1 . 2]" 1
94 1 15 LYS H 1 18 MET ME . . 3.350 1.915 1.703 2.457 . 0 0 "[ . 1 . 2]" 1
95 1 15 LYS H 1 18 MET QG . . 3.610 3.135 2.693 3.608 . 0 0 "[ . 1 . 2]" 1
96 1 15 LYS H 1 36 VAL HB . . 5.500 4.462 4.175 4.857 . 0 0 "[ . 1 . 2]" 1
97 1 15 LYS H 1 36 VAL MG1 . . 4.450 3.379 2.958 3.887 . 0 0 "[ . 1 . 2]" 1
98 1 15 LYS H 1 36 VAL MG2 . . 4.170 3.340 2.794 3.902 . 0 0 "[ . 1 . 2]" 1
99 1 15 LYS H 1 39 VAL MG2 . . 4.770 3.717 3.331 4.463 . 0 0 "[ . 1 . 2]" 1
100 1 15 LYS H 1 108 LEU MD1 . . 4.430 3.792 3.437 4.184 . 0 0 "[ . 1 . 2]" 1
101 1 15 LYS HA 1 16 VAL H . . 3.030 2.307 2.211 2.460 . 0 0 "[ . 1 . 2]" 1
102 1 15 LYS HA 1 16 VAL MG2 . . 3.760 3.667 3.515 3.761 0.001 16 0 "[ . 1 . 2]" 1
103 1 15 LYS HB2 1 16 VAL H . . 3.920 3.727 3.380 3.921 0.001 11 0 "[ . 1 . 2]" 1
104 1 15 LYS HB2 1 18 MET H . . 4.600 4.035 3.846 4.490 . 0 0 "[ . 1 . 2]" 1
105 1 15 LYS HB2 1 18 MET ME . . 3.330 2.146 1.775 2.762 . 0 0 "[ . 1 . 2]" 1
106 1 15 LYS HB2 1 18 MET QG . . 3.990 2.778 2.107 3.475 . 0 0 "[ . 1 . 2]" 1
107 1 15 LYS HB3 1 16 VAL H . . 3.250 2.715 2.310 3.001 . 0 0 "[ . 1 . 2]" 1
108 1 15 LYS HB3 1 18 MET QG . . 4.630 4.195 3.529 4.639 0.009 10 0 "[ . 1 . 2]" 1
109 1 15 LYS QE 1 15 LYS QG . . 3.180 2.223 2.049 2.575 . 0 0 "[ . 1 . 2]" 1
110 1 15 LYS QE 1 18 MET ME . . 4.190 3.866 2.712 4.200 0.010 10 0 "[ . 1 . 2]" 1
111 1 15 LYS QG 1 16 VAL H . . 5.160 4.246 3.877 4.561 . 0 0 "[ . 1 . 2]" 1
112 1 15 LYS QG 1 18 MET ME . . 2.890 2.202 1.974 2.502 . 0 0 "[ . 1 . 2]" 1
113 1 15 LYS HG2 1 18 MET ME . . 3.590 3.103 2.314 3.603 0.013 10 0 "[ . 1 . 2]" 1
114 1 15 LYS HG3 1 18 MET ME . . 3.590 2.399 1.986 3.413 . 0 0 "[ . 1 . 2]" 1
115 1 16 VAL H 1 16 VAL HB . . 3.270 2.483 2.377 2.582 . 0 0 "[ . 1 . 2]" 1
116 1 16 VAL H 1 16 VAL MG1 . . 3.860 3.756 3.724 3.769 . 0 0 "[ . 1 . 2]" 1
117 1 16 VAL H 1 16 VAL MG2 . . 2.920 2.246 1.993 2.611 . 0 0 "[ . 1 . 2]" 1
118 1 16 VAL H 1 17 GLY H . . 4.600 4.504 4.372 4.585 . 0 0 "[ . 1 . 2]" 1
119 1 16 VAL H 1 18 MET ME . . 5.480 4.936 4.439 5.250 . 0 0 "[ . 1 . 2]" 1
120 1 16 VAL H 1 36 VAL MG1 . . 4.380 3.503 3.147 3.920 . 0 0 "[ . 1 . 2]" 1
121 1 16 VAL H 1 39 VAL MG2 . . 3.670 3.428 3.002 3.673 0.003 3 0 "[ . 1 . 2]" 1
122 1 16 VAL HA 1 16 VAL MG1 . . 3.260 2.428 2.329 2.480 . 0 0 "[ . 1 . 2]" 1
123 1 16 VAL HA 1 16 VAL MG2 . . 3.110 2.327 2.224 2.430 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL HA 1 17 GLY H . . 3.140 2.154 2.144 2.176 . 0 0 "[ . 1 . 2]" 1
125 1 16 VAL HA 1 17 GLY HA3 . . 4.500 4.398 4.392 4.407 . 0 0 "[ . 1 . 2]" 1
126 1 16 VAL HA 1 18 MET H . . 4.000 3.778 3.489 3.964 . 0 0 "[ . 1 . 2]" 1
127 1 16 VAL HA 1 35 THR MG . . 4.960 4.686 4.409 4.913 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL HA 1 36 VAL HB . . 3.780 2.433 1.992 2.746 . 0 0 "[ . 1 . 2]" 1
129 1 16 VAL HA 1 36 VAL MG1 . . 3.300 2.179 1.979 2.471 . 0 0 "[ . 1 . 2]" 1
130 1 16 VAL HA 1 36 VAL MG2 . . 4.340 3.950 3.400 4.254 . 0 0 "[ . 1 . 2]" 1
131 1 16 VAL HA 1 39 VAL MG2 . . 3.990 3.755 3.522 3.956 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL HB 1 17 GLY H . . 4.410 4.261 4.127 4.417 0.007 5 0 "[ . 1 . 2]" 1
133 1 16 VAL HB 1 36 VAL MG1 . . 4.800 4.445 4.179 4.709 . 0 0 "[ . 1 . 2]" 1
134 1 16 VAL MG1 1 17 GLY H . . 3.370 2.565 2.277 2.966 . 0 0 "[ . 1 . 2]" 1
135 1 16 VAL MG1 1 17 GLY HA2 . . 3.910 3.288 3.174 3.465 . 0 0 "[ . 1 . 2]" 1
136 1 16 VAL MG1 1 18 MET H . . 4.720 4.589 4.395 4.724 0.004 3 0 "[ . 1 . 2]" 1
137 1 16 VAL MG1 1 36 VAL H . . 5.500 5.359 5.080 5.502 0.002 3 0 "[ . 1 . 2]" 1
138 1 16 VAL MG1 1 36 VAL HB . . 4.300 4.033 3.489 4.308 0.008 6 0 "[ . 1 . 2]" 1
139 1 16 VAL MG1 1 37 ALA HA . . 3.910 2.768 2.215 3.576 . 0 0 "[ . 1 . 2]" 1
140 1 16 VAL MG2 1 17 GLY H . . 3.990 3.979 3.919 4.026 0.036 10 0 "[ . 1 . 2]" 1
141 1 16 VAL MG2 1 36 VAL HB . . 4.860 4.060 3.440 4.455 . 0 0 "[ . 1 . 2]" 1
142 1 16 VAL MG2 1 36 VAL MG1 . . 3.100 2.552 2.108 2.955 . 0 0 "[ . 1 . 2]" 1
143 1 16 VAL MG2 1 37 ALA H . . 4.600 4.420 4.007 4.615 0.015 10 0 "[ . 1 . 2]" 1
144 1 16 VAL MG2 1 37 ALA HA . . 3.980 3.583 3.398 3.949 . 0 0 "[ . 1 . 2]" 1
145 1 16 VAL MG2 1 38 GLU H . . 4.000 3.475 3.155 3.813 . 0 0 "[ . 1 . 2]" 1
146 1 16 VAL MG2 1 38 GLU HA . . 2.950 2.330 1.946 2.689 . 0 0 "[ . 1 . 2]" 1
147 1 16 VAL MG2 1 38 GLU HB3 . . 5.170 4.760 4.361 5.113 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL MG2 1 38 GLU QG . . 5.120 3.919 3.095 4.640 . 0 0 "[ . 1 . 2]" 1
149 1 16 VAL MG2 1 39 VAL H . . 3.680 3.418 3.143 3.680 . 16 0 "[ . 1 . 2]" 1
150 1 17 GLY H 1 18 MET H . . 3.630 2.684 2.078 3.050 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLY H 1 35 THR MG . . 3.630 3.169 2.973 3.370 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLY H 1 36 VAL H . . 4.450 3.746 3.489 3.958 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLY H 1 36 VAL HB . . 3.760 2.422 1.984 2.779 . 0 0 "[ . 1 . 2]" 1
154 1 17 GLY H 1 36 VAL MG1 . . 3.810 3.515 3.301 3.688 . 0 0 "[ . 1 . 2]" 1
155 1 17 GLY H 1 36 VAL MG2 . . 4.250 3.859 2.948 4.255 0.005 12 0 "[ . 1 . 2]" 1
156 1 17 GLY HA2 1 35 THR MG . . 3.310 3.134 2.841 3.313 0.003 3 0 "[ . 1 . 2]" 1
157 1 17 GLY HA3 1 18 MET H . . 3.390 2.887 2.749 3.155 . 0 0 "[ . 1 . 2]" 1
158 1 18 MET H 1 18 MET QB . . 3.210 2.491 2.297 2.958 . 0 0 "[ . 1 . 2]" 1
159 1 18 MET H 1 18 MET HG2 . . 3.550 2.746 1.893 3.453 . 0 0 "[ . 1 . 2]" 1
160 1 18 MET H 1 18 MET HG3 . . 3.550 2.655 2.126 3.301 . 0 0 "[ . 1 . 2]" 1
161 1 18 MET H 1 35 THR MG . . 4.410 4.223 3.656 4.385 . 0 0 "[ . 1 . 2]" 1
162 1 18 MET H 1 36 VAL H . . 4.770 4.448 3.880 4.740 . 0 0 "[ . 1 . 2]" 1
163 1 18 MET H 1 36 VAL HB . . 3.890 3.247 2.686 3.519 . 0 0 "[ . 1 . 2]" 1
164 1 18 MET H 1 36 VAL MG1 . . 4.550 4.323 4.085 4.527 . 0 0 "[ . 1 . 2]" 1
165 1 18 MET H 1 36 VAL MG2 . . 3.960 3.598 2.502 3.938 . 0 0 "[ . 1 . 2]" 1
166 1 18 MET QB 1 19 LYS H . . 3.700 3.245 2.640 3.582 . 0 0 "[ . 1 . 2]" 1
167 1 18 MET QB 1 36 VAL MG2 . . 3.410 2.997 2.456 3.484 0.074 7 0 "[ . 1 . 2]" 1
168 1 18 MET QB 1 104 ALA H . . 4.060 3.073 2.679 3.461 . 0 0 "[ . 1 . 2]" 1
169 1 18 MET QB 1 104 ALA HA . . 4.370 2.561 1.999 3.145 . 0 0 "[ . 1 . 2]" 1
170 1 18 MET QB 1 104 ALA MB . . 3.090 2.096 1.958 2.329 . 0 0 "[ . 1 . 2]" 1
171 1 18 MET HB2 1 36 VAL MG2 . . 4.280 3.158 2.492 3.916 . 0 0 "[ . 1 . 2]" 1
172 1 18 MET HB2 1 104 ALA MB . . 3.690 2.818 1.975 3.469 . 0 0 "[ . 1 . 2]" 1
173 1 18 MET HB3 1 36 VAL MG2 . . 4.280 3.909 3.537 4.273 . 0 0 "[ . 1 . 2]" 1
174 1 18 MET HB3 1 104 ALA MB . . 3.690 2.591 1.982 3.634 . 0 0 "[ . 1 . 2]" 1
175 1 18 MET ME 1 18 MET QG . . 3.090 2.326 2.167 2.446 . 0 0 "[ . 1 . 2]" 1
176 1 18 MET ME 1 36 VAL MG2 . . 4.440 3.691 3.219 4.371 . 0 0 "[ . 1 . 2]" 1
177 1 18 MET ME 1 104 ALA H . . 5.500 5.300 4.912 5.502 0.002 9 0 "[ . 1 . 2]" 1
178 1 18 MET ME 1 104 ALA HA . . 3.980 3.466 2.887 3.905 . 0 0 "[ . 1 . 2]" 1
179 1 18 MET ME 1 104 ALA MB . . 3.940 3.177 2.703 3.590 . 0 0 "[ . 1 . 2]" 1
180 1 18 MET ME 1 105 PRO HD2 . . 3.280 2.659 2.285 3.227 . 0 0 "[ . 1 . 2]" 1
181 1 18 MET ME 1 108 LEU MD1 . . 3.300 2.244 1.878 2.928 . 0 0 "[ . 1 . 2]" 1
182 1 18 MET ME 1 108 LEU MD2 . . 4.150 3.558 3.111 4.152 0.002 3 0 "[ . 1 . 2]" 1
183 1 18 MET QG 1 19 LYS H . . 4.490 4.135 3.770 4.406 . 0 0 "[ . 1 . 2]" 1
184 1 18 MET QG 1 36 VAL MG2 . . 5.110 3.427 1.684 4.486 . 0 0 "[ . 1 . 2]" 1
185 1 18 MET QG 1 104 ALA MB . . 4.350 3.473 2.457 3.954 . 0 0 "[ . 1 . 2]" 1
186 1 18 MET HG2 1 108 LEU MD1 . . 5.500 5.098 4.373 5.503 0.003 9 0 "[ . 1 . 2]" 1
187 1 18 MET HG3 1 108 LEU MD1 . . 5.500 4.731 3.865 5.166 . 0 0 "[ . 1 . 2]" 1
188 1 19 LYS H 1 19 LYS HB2 . . 3.700 2.430 2.241 2.554 . 0 0 "[ . 1 . 2]" 1
189 1 19 LYS H 1 19 LYS HG2 . . 4.100 3.879 3.397 4.088 . 0 0 "[ . 1 . 2]" 1
190 1 19 LYS H 1 19 LYS HG3 . . 4.550 2.582 2.152 2.914 . 0 0 "[ . 1 . 2]" 1
191 1 19 LYS H 1 20 LEU H . . 4.620 4.589 4.511 4.633 0.013 9 0 "[ . 1 . 2]" 1
192 1 19 LYS H 1 96 LEU MD2 . . 4.460 4.167 3.846 4.411 . 0 0 "[ . 1 . 2]" 1
193 1 19 LYS H 1 103 ALA HA . . 3.560 3.071 2.859 3.329 . 0 0 "[ . 1 . 2]" 1
194 1 19 LYS H 1 103 ALA MB . . 4.710 4.518 4.328 4.704 . 0 0 "[ . 1 . 2]" 1
195 1 19 LYS H 1 104 ALA H . . 3.910 3.292 2.708 3.909 . 0 0 "[ . 1 . 2]" 1
196 1 19 LYS HA 1 19 LYS HG2 . . 4.250 2.713 2.441 2.871 . 0 0 "[ . 1 . 2]" 1
197 1 19 LYS HA 1 19 LYS HG3 . . 3.980 2.833 2.555 3.129 . 0 0 "[ . 1 . 2]" 1
198 1 19 LYS HA 1 20 LEU H . . 3.240 2.311 2.185 2.413 . 0 0 "[ . 1 . 2]" 1
199 1 19 LYS HA 1 20 LEU MD2 . . 3.870 2.964 2.730 3.268 . 0 0 "[ . 1 . 2]" 1
200 1 19 LYS HA 1 35 THR HA . . 3.700 2.322 2.098 2.578 . 0 0 "[ . 1 . 2]" 1
201 1 19 LYS HA 1 35 THR MG . . 4.410 3.042 2.814 3.386 . 0 0 "[ . 1 . 2]" 1
202 1 19 LYS HA 1 36 VAL H . . 4.200 3.334 3.023 3.613 . 0 0 "[ . 1 . 2]" 1
203 1 19 LYS HB2 1 20 LEU H . . 4.140 3.840 3.609 4.143 0.003 7 0 "[ . 1 . 2]" 1
204 1 19 LYS HB2 1 35 THR MG . . 5.440 4.713 4.427 5.216 . 0 0 "[ . 1 . 2]" 1
205 1 19 LYS HB2 1 69 VAL MG1 . . 4.570 4.384 4.122 4.554 . 0 0 "[ . 1 . 2]" 1
206 1 19 LYS HB2 1 69 VAL MG2 . . 4.090 2.815 2.555 3.078 . 0 0 "[ . 1 . 2]" 1
207 1 19 LYS HB2 1 92 TRP HH2 . . 4.300 3.665 3.258 4.307 0.007 14 0 "[ . 1 . 2]" 1
208 1 19 LYS HB2 1 92 TRP HZ3 . . 4.610 2.443 2.151 2.884 . 0 0 "[ . 1 . 2]" 1
209 1 19 LYS HB2 1 96 LEU MD2 . . 3.440 2.974 2.710 3.310 . 0 0 "[ . 1 . 2]" 1
210 1 19 LYS HB2 1 103 ALA HA . . 4.280 3.310 2.920 3.673 . 0 0 "[ . 1 . 2]" 1
211 1 19 LYS HB2 1 103 ALA MB . . 4.110 4.001 3.498 4.118 0.008 14 0 "[ . 1 . 2]" 1
212 1 19 LYS HB3 1 19 LYS HD2 . . 4.150 2.961 2.336 3.508 . 0 0 "[ . 1 . 2]" 1
213 1 19 LYS HB3 1 19 LYS HD3 . . 4.150 2.989 2.631 3.682 . 0 0 "[ . 1 . 2]" 1
214 1 19 LYS HB3 1 20 LEU H . . 3.820 2.682 2.407 3.097 . 0 0 "[ . 1 . 2]" 1
215 1 19 LYS HB3 1 33 VAL MG2 . . 4.020 3.273 2.908 3.504 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS HB3 1 92 TRP HH2 . . 4.070 2.416 2.094 2.810 . 0 0 "[ . 1 . 2]" 1
217 1 19 LYS HB3 1 92 TRP HZ3 . . 4.400 2.259 1.998 2.687 . 0 0 "[ . 1 . 2]" 1
218 1 19 LYS HB3 1 96 LEU MD2 . . 5.100 3.956 3.546 4.403 . 0 0 "[ . 1 . 2]" 1
219 1 19 LYS HB3 1 103 ALA MB . . 5.440 5.151 4.521 5.438 . 0 0 "[ . 1 . 2]" 1
220 1 19 LYS QD 1 35 THR MG . . 5.340 4.052 3.536 4.626 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS QD 1 92 TRP HH2 . . 4.560 3.844 3.049 4.246 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS QD 1 92 TRP HZ3 . . 3.860 2.141 1.975 2.425 . 0 0 "[ . 1 . 2]" 1
223 1 19 LYS QD 1 95 TYR QE . . 3.710 2.384 1.912 2.854 . 0 0 "[ . 1 . 2]" 1
224 1 19 LYS QD 1 96 LEU MD2 . . 3.610 2.162 1.771 3.221 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS QD 1 101 ALA MB . . 4.130 3.230 2.229 4.060 . 0 0 "[ . 1 . 2]" 1
226 1 19 LYS HD2 1 92 TRP HZ3 . . 4.450 2.535 1.997 3.276 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HD2 1 95 TYR QE . . 4.360 3.720 2.232 4.360 0.000 15 0 "[ . 1 . 2]" 1
228 1 19 LYS HD2 1 96 LEU MD2 . . 4.340 2.219 1.887 3.325 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS HD3 1 92 TRP HZ3 . . 4.450 2.757 2.030 3.834 . 0 0 "[ . 1 . 2]" 1
230 1 19 LYS HD3 1 95 TYR QE . . 4.360 2.426 2.078 2.894 . 0 0 "[ . 1 . 2]" 1
231 1 19 LYS HD3 1 96 LEU MD2 . . 4.340 3.189 2.069 4.315 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS QE 1 35 THR MG . . 4.350 3.761 3.197 4.326 . 0 0 "[ . 1 . 2]" 1
233 1 19 LYS QE 1 95 TYR QE . . 3.950 3.136 2.221 3.936 . 0 0 "[ . 1 . 2]" 1
234 1 19 LYS QE 1 96 LEU HA . . 4.660 3.653 2.653 4.419 . 0 0 "[ . 1 . 2]" 1
235 1 19 LYS QE 1 96 LEU MD2 . . 3.750 2.831 1.786 3.586 . 0 0 "[ . 1 . 2]" 1
236 1 19 LYS QE 1 99 CYS QB . . 4.380 3.402 2.618 4.283 . 0 0 "[ . 1 . 2]" 1
237 1 19 LYS QE 1 101 ALA H . . 5.010 4.479 3.877 5.011 0.001 20 0 "[ . 1 . 2]" 1
238 1 19 LYS QE 1 101 ALA MB . . 2.990 2.136 1.836 2.935 . 0 0 "[ . 1 . 2]" 1
239 1 19 LYS HE2 1 96 LEU MD2 . . 4.630 3.334 1.889 4.383 . 0 0 "[ . 1 . 2]" 1
240 1 19 LYS HE2 1 101 ALA MB . . 3.650 2.637 1.885 3.647 . 0 0 "[ . 1 . 2]" 1
241 1 19 LYS HE3 1 96 LEU MD2 . . 4.630 3.253 1.852 4.350 . 0 0 "[ . 1 . 2]" 1
242 1 19 LYS HE3 1 101 ALA MB . . 3.650 2.651 1.901 3.646 . 0 0 "[ . 1 . 2]" 1
243 1 19 LYS HG2 1 20 LEU H . . 4.360 4.073 3.680 4.299 . 0 0 "[ . 1 . 2]" 1
244 1 19 LYS HG2 1 33 VAL MG2 . . 4.930 3.995 3.491 4.583 . 0 0 "[ . 1 . 2]" 1
245 1 19 LYS HG2 1 35 THR MG . . 4.250 2.651 2.189 3.294 . 0 0 "[ . 1 . 2]" 1
246 1 19 LYS HG2 1 95 TYR QE . . 4.500 3.644 2.886 4.338 . 0 0 "[ . 1 . 2]" 1
247 1 19 LYS HG2 1 96 LEU MD2 . . 5.380 4.504 4.066 5.034 . 0 0 "[ . 1 . 2]" 1
248 1 19 LYS HG3 1 20 LEU H . . 5.130 4.744 4.451 5.034 . 0 0 "[ . 1 . 2]" 1
249 1 19 LYS HG3 1 35 THR HA . . 4.610 4.284 3.830 4.602 . 0 0 "[ . 1 . 2]" 1
250 1 19 LYS HG3 1 35 THR MG . . 4.090 2.822 2.425 3.302 . 0 0 "[ . 1 . 2]" 1
251 1 19 LYS HG3 1 96 LEU MD2 . . 4.320 4.011 3.626 4.316 . 0 0 "[ . 1 . 2]" 1
252 1 19 LYS HG3 1 101 ALA MB . . 3.810 3.599 3.328 3.790 . 0 0 "[ . 1 . 2]" 1
253 1 20 LEU H 1 20 LEU MD2 . . 3.590 2.474 2.283 2.669 . 0 0 "[ . 1 . 2]" 1
254 1 20 LEU H 1 20 LEU HG . . 3.700 3.292 3.063 3.446 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU H 1 33 VAL MG2 . . 4.040 3.567 3.084 4.023 . 0 0 "[ . 1 . 2]" 1
256 1 20 LEU H 1 34 LEU H . . 3.930 3.373 3.129 3.634 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU H 1 35 THR HA . . 4.180 3.237 2.784 3.709 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU H 1 92 TRP HH2 . . 4.150 3.214 2.711 3.867 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU HA 1 20 LEU MD1 . . 4.120 4.007 3.957 4.058 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU HA 1 20 LEU MD2 . . 4.000 3.663 3.560 3.735 . 0 0 "[ . 1 . 2]" 1
261 1 20 LEU HA 1 69 VAL MG1 . . 4.960 4.583 4.275 4.960 . 0 0 "[ . 1 . 2]" 1
262 1 20 LEU HA 1 69 VAL MG2 . . 3.650 2.247 1.955 2.744 . 0 0 "[ . 1 . 2]" 1
263 1 20 LEU HA 1 104 ALA MB . . 4.760 3.845 3.439 4.254 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU HA 1 109 PHE QE . . 5.500 5.298 5.034 5.479 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU QB 1 20 LEU MD1 . . 3.170 1.989 1.932 2.084 . 0 0 "[ . 1 . 2]" 1
266 1 20 LEU QB 1 20 LEU MD2 . . 3.220 2.100 1.995 2.202 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU QB 1 21 GLU H . . 3.510 2.300 2.049 2.569 . 0 0 "[ . 1 . 2]" 1
268 1 20 LEU QB 1 69 VAL H . . 4.610 3.796 3.409 4.168 . 0 0 "[ . 1 . 2]" 1
269 1 20 LEU QB 1 69 VAL MG2 . . 4.430 3.495 3.182 3.972 . 0 0 "[ . 1 . 2]" 1
270 1 20 LEU QB 1 104 ALA MB . . 3.660 2.650 2.450 2.892 . 0 0 "[ . 1 . 2]" 1
271 1 20 LEU QB 1 109 PHE QE . . 4.320 3.482 3.236 3.592 . 0 0 "[ . 1 . 2]" 1
272 1 20 LEU HB2 1 20 LEU MD1 . . 3.650 2.062 1.983 2.215 . 0 0 "[ . 1 . 2]" 1
273 1 20 LEU HB2 1 21 GLU H . . 4.150 2.321 2.061 2.603 . 0 0 "[ . 1 . 2]" 1
274 1 20 LEU HB2 1 104 ALA MB . . 4.370 3.658 3.335 3.964 . 0 0 "[ . 1 . 2]" 1
275 1 20 LEU HB2 1 109 PHE QE . . 4.930 3.686 3.417 3.874 . 0 0 "[ . 1 . 2]" 1
276 1 20 LEU HB2 1 109 PHE HZ . . 4.310 2.686 2.453 2.925 . 0 0 "[ . 1 . 2]" 1
277 1 20 LEU HB3 1 20 LEU MD1 . . 3.650 2.634 2.538 2.688 . 0 0 "[ . 1 . 2]" 1
278 1 20 LEU HB3 1 21 GLU H . . 4.150 3.771 3.594 3.951 . 0 0 "[ . 1 . 2]" 1
279 1 20 LEU HB3 1 104 ALA MB . . 4.370 2.722 2.511 2.981 . 0 0 "[ . 1 . 2]" 1
280 1 20 LEU HB3 1 109 PHE QE . . 4.930 4.290 4.007 4.498 . 0 0 "[ . 1 . 2]" 1
281 1 20 LEU HB3 1 109 PHE HZ . . 4.310 3.166 2.779 3.370 . 0 0 "[ . 1 . 2]" 1
282 1 20 LEU MD1 1 21 GLU H . . 3.830 3.398 3.153 3.828 . 0 0 "[ . 1 . 2]" 1
283 1 20 LEU MD1 1 22 GLY H . . 5.500 4.975 4.673 5.464 . 0 0 "[ . 1 . 2]" 1
284 1 20 LEU MD1 1 34 LEU HB2 . . 4.250 4.037 3.726 4.202 . 0 0 "[ . 1 . 2]" 1
285 1 20 LEU MD1 1 34 LEU MD1 . . 3.840 3.640 3.448 3.748 . 0 0 "[ . 1 . 2]" 1
286 1 20 LEU MD1 1 36 VAL H . . 5.500 5.329 5.025 5.505 0.005 10 0 "[ . 1 . 2]" 1
287 1 20 LEU MD1 1 44 ILE MD . . 4.150 2.867 2.268 3.304 . 0 0 "[ . 1 . 2]" 1
288 1 20 LEU MD1 1 66 ILE HB . . 3.210 2.299 2.078 2.521 . 0 0 "[ . 1 . 2]" 1
289 1 20 LEU MD1 1 66 ILE MD . . 3.080 2.771 2.330 3.033 . 0 0 "[ . 1 . 2]" 1
290 1 20 LEU MD1 1 66 ILE MG . . 3.060 2.681 2.246 2.958 . 0 0 "[ . 1 . 2]" 1
291 1 20 LEU MD1 1 67 HIS H . . 3.840 3.369 2.904 3.709 . 0 0 "[ . 1 . 2]" 1
292 1 20 LEU MD1 1 109 PHE QD . . 4.670 4.429 4.217 4.670 . 7 0 "[ . 1 . 2]" 1
293 1 20 LEU MD1 1 109 PHE QE . . 3.560 2.468 2.259 2.775 . 0 0 "[ . 1 . 2]" 1
294 1 20 LEU MD1 1 109 PHE HZ . . 3.620 2.264 1.971 2.807 . 0 0 "[ . 1 . 2]" 1
295 1 20 LEU MD2 1 34 LEU HB2 . . 3.860 2.986 2.744 3.289 . 0 0 "[ . 1 . 2]" 1
296 1 20 LEU MD2 1 34 LEU MD1 . . 4.020 3.845 3.602 3.994 . 0 0 "[ . 1 . 2]" 1
297 1 20 LEU MD2 1 35 THR H . . 4.540 4.050 3.928 4.196 . 0 0 "[ . 1 . 2]" 1
298 1 20 LEU MD2 1 35 THR HA . . 4.120 2.879 2.637 3.123 . 0 0 "[ . 1 . 2]" 1
299 1 20 LEU MD2 1 36 VAL H . . 3.920 2.962 2.699 3.211 . 0 0 "[ . 1 . 2]" 1
300 1 20 LEU MD2 1 36 VAL HA . . 4.620 3.764 3.476 3.991 . 0 0 "[ . 1 . 2]" 1
301 1 20 LEU MD2 1 44 ILE MD . . 4.110 3.324 2.973 3.765 . 0 0 "[ . 1 . 2]" 1
302 1 20 LEU MD2 1 46 LEU MD1 . . 2.860 2.511 1.963 2.854 . 0 0 "[ . 1 . 2]" 1
303 1 20 LEU MD2 1 66 ILE HB . . 4.990 4.864 4.597 4.980 . 0 0 "[ . 1 . 2]" 1
304 1 20 LEU MD2 1 104 ALA MB . . 3.670 3.526 3.232 3.668 . 0 0 "[ . 1 . 2]" 1
305 1 20 LEU MD2 1 109 PHE HZ . . 4.550 4.059 3.790 4.489 . 0 0 "[ . 1 . 2]" 1
306 1 20 LEU HG 1 21 GLU H . . 4.540 3.241 2.911 3.629 . 0 0 "[ . 1 . 2]" 1
307 1 21 GLU H 1 21 GLU QB . . 3.590 2.490 2.333 2.654 . 0 0 "[ . 1 . 2]" 1
308 1 21 GLU H 1 21 GLU QG . . 4.660 3.001 2.577 3.507 . 0 0 "[ . 1 . 2]" 1
309 1 21 GLU H 1 67 HIS H . . 4.290 3.266 2.906 3.762 . 0 0 "[ . 1 . 2]" 1
310 1 21 GLU H 1 109 PHE HZ . . 4.700 4.610 4.294 4.701 0.001 8 0 "[ . 1 . 2]" 1
311 1 21 GLU HA 1 21 GLU QG . . 3.700 2.411 2.312 2.516 . 0 0 "[ . 1 . 2]" 1
312 1 21 GLU HA 1 22 GLY H . . 3.270 2.222 2.144 2.457 . 0 0 "[ . 1 . 2]" 1
313 1 21 GLU HA 1 33 VAL HA . . 4.560 2.552 2.176 2.981 . 0 0 "[ . 1 . 2]" 1
314 1 21 GLU HA 1 33 VAL MG2 . . 4.720 4.097 3.723 4.622 . 0 0 "[ . 1 . 2]" 1
315 1 21 GLU HA 1 34 LEU H . . 4.140 2.763 2.369 3.224 . 0 0 "[ . 1 . 2]" 1
316 1 21 GLU HA 1 79 LEU MD1 . . 4.580 4.351 4.073 4.579 . 0 0 "[ . 1 . 2]" 1
317 1 21 GLU HA 1 92 TRP HZ2 . . 4.800 4.021 3.400 4.365 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLU QB 1 22 GLY H . . 3.870 2.953 2.287 3.325 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLU QB 1 79 LEU MD1 . . 4.680 3.380 3.067 3.651 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLU QB 1 79 LEU MD2 . . 4.730 4.547 4.086 4.735 0.005 14 0 "[ . 1 . 2]" 1
321 1 21 GLU QG 1 22 GLY H . . 4.820 4.004 3.744 4.327 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLU QG 1 33 VAL MG1 . . 4.880 4.641 4.250 4.879 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLU QG 1 33 VAL MG2 . . 4.100 3.639 3.322 4.012 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLU QG 1 69 VAL HA . . 4.050 3.277 2.570 4.048 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLU QG 1 69 VAL MG1 . . 4.590 4.241 3.763 4.563 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLU QG 1 69 VAL MG2 . . 4.730 3.854 2.889 4.464 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLU QG 1 70 GLY H . . 4.500 4.119 3.677 4.442 . 0 0 "[ . 1 . 2]" 1
328 1 21 GLU QG 1 79 LEU MD1 . . 3.620 2.540 2.065 3.030 . 0 0 "[ . 1 . 2]" 1
329 1 21 GLU QG 1 79 LEU MD2 . . 4.080 3.198 2.592 3.612 . 0 0 "[ . 1 . 2]" 1
330 1 21 GLU HG2 1 33 VAL MG2 . . 4.840 4.321 3.752 4.841 0.001 7 0 "[ . 1 . 2]" 1
331 1 21 GLU HG2 1 92 TRP HE1 . . 4.450 3.624 2.619 4.094 . 0 0 "[ . 1 . 2]" 1
332 1 21 GLU HG2 1 92 TRP HZ2 . . 3.860 2.610 2.039 3.271 . 0 0 "[ . 1 . 2]" 1
333 1 21 GLU HG3 1 33 VAL MG2 . . 4.840 4.104 3.386 4.813 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLU HG3 1 92 TRP HE1 . . 4.450 3.852 3.017 4.182 . 0 0 "[ . 1 . 2]" 1
335 1 21 GLU HG3 1 92 TRP HZ2 . . 3.860 2.290 1.995 2.758 . 0 0 "[ . 1 . 2]" 1
336 1 22 GLY H 1 23 VAL H . . 4.530 4.438 4.370 4.491 . 0 0 "[ . 1 . 2]" 1
337 1 22 GLY H 1 31 TYR HB3 . . 5.500 4.436 3.623 4.940 . 0 0 "[ . 1 . 2]" 1
338 1 22 GLY H 1 31 TYR QD . . 5.060 4.587 4.153 4.922 . 0 0 "[ . 1 . 2]" 1
339 1 22 GLY H 1 32 CYS H . . 3.780 3.304 2.678 3.707 . 0 0 "[ . 1 . 2]" 1
340 1 22 GLY H 1 32 CYS QB . . 5.340 4.347 4.104 4.824 . 0 0 "[ . 1 . 2]" 1
341 1 22 GLY H 1 33 VAL HA . . 4.740 3.775 3.154 4.373 . 0 0 "[ . 1 . 2]" 1
342 1 22 GLY H 1 34 LEU MD1 . . 3.690 2.600 2.106 3.280 . 0 0 "[ . 1 . 2]" 1
343 1 22 GLY H 1 34 LEU MD2 . . 4.850 4.471 4.203 4.808 . 0 0 "[ . 1 . 2]" 1
344 1 22 GLY H 1 34 LEU HG . . 4.080 3.198 2.898 3.752 . 0 0 "[ . 1 . 2]" 1
345 1 22 GLY H 1 79 LEU MD1 . . 5.500 4.851 4.348 5.164 . 0 0 "[ . 1 . 2]" 1
346 1 22 GLY QA 1 23 VAL H . . 3.120 2.267 2.222 2.283 . 0 0 "[ . 1 . 2]" 1
347 1 22 GLY QA 1 34 LEU MD1 . . 3.330 1.992 1.785 2.458 . 0 0 "[ . 1 . 2]" 1
348 1 22 GLY QA 1 65 ASP QB . . 5.160 3.911 3.301 4.552 . 0 0 "[ . 1 . 2]" 1
349 1 22 GLY QA 1 66 ILE MG . . 3.600 2.438 2.190 2.872 . 0 0 "[ . 1 . 2]" 1
350 1 22 GLY QA 1 67 HIS H . . 4.670 3.340 3.072 3.544 . 0 0 "[ . 1 . 2]" 1
351 1 22 GLY HA2 1 34 LEU MD1 . . 3.810 3.363 3.135 3.805 . 0 0 "[ . 1 . 2]" 1
352 1 22 GLY HA3 1 34 LEU MD1 . . 3.810 2.008 1.794 2.489 . 0 0 "[ . 1 . 2]" 1
353 1 23 VAL H 1 23 VAL HB . . 3.460 2.359 2.314 2.428 . 0 0 "[ . 1 . 2]" 1
354 1 23 VAL H 1 23 VAL MG1 . . 4.140 3.685 3.654 3.704 . 0 0 "[ . 1 . 2]" 1
355 1 23 VAL H 1 23 VAL MG2 . . 3.260 2.813 2.664 3.044 . 0 0 "[ . 1 . 2]" 1
356 1 23 VAL H 1 24 ASP H . . 4.700 4.557 4.510 4.592 . 0 0 "[ . 1 . 2]" 1
357 1 23 VAL H 1 31 TYR QE . . 4.950 4.816 4.492 4.954 0.004 10 0 "[ . 1 . 2]" 1
358 1 23 VAL H 1 34 LEU MD1 . . 4.800 3.753 3.469 4.180 . 0 0 "[ . 1 . 2]" 1
359 1 23 VAL H 1 65 ASP QB . . 3.730 2.794 1.915 3.325 . 0 0 "[ . 1 . 2]" 1
360 1 23 VAL H 1 66 ILE MG . . 4.050 3.175 2.633 3.654 . 0 0 "[ . 1 . 2]" 1
361 1 23 VAL HA 1 23 VAL MG1 . . 3.610 2.541 2.500 2.577 . 0 0 "[ . 1 . 2]" 1
362 1 23 VAL HA 1 23 VAL MG2 . . 3.360 2.261 2.105 2.307 . 0 0 "[ . 1 . 2]" 1
363 1 23 VAL HA 1 24 ASP H . . 3.320 2.245 2.202 2.296 . 0 0 "[ . 1 . 2]" 1
364 1 23 VAL HA 1 32 CYS H . . 4.120 3.396 2.902 3.727 . 0 0 "[ . 1 . 2]" 1
365 1 23 VAL HB 1 24 ASP H . . 4.390 4.060 3.959 4.149 . 0 0 "[ . 1 . 2]" 1
366 1 23 VAL HB 1 28 GLN HA . . 4.860 4.544 4.367 4.807 . 0 0 "[ . 1 . 2]" 1
367 1 23 VAL HB 1 31 TYR QE . . 4.630 4.393 4.220 4.583 . 0 0 "[ . 1 . 2]" 1
368 1 23 VAL HB 1 65 ASP HB2 . . 3.840 2.281 2.005 2.608 . 0 0 "[ . 1 . 2]" 1
369 1 23 VAL HB 1 65 ASP QB . . 3.330 2.091 1.947 2.363 . 0 0 "[ . 1 . 2]" 1
370 1 23 VAL HB 1 65 ASP HB3 . . 3.840 2.773 2.016 3.590 . 0 0 "[ . 1 . 2]" 1
371 1 23 VAL MG1 1 24 ASP H . . 4.050 2.133 1.945 2.306 . 0 0 "[ . 1 . 2]" 1
372 1 23 VAL MG1 1 24 ASP HA . . 4.650 3.672 3.543 3.757 . 0 0 "[ . 1 . 2]" 1
373 1 23 VAL MG1 1 25 PRO HA . . 3.950 3.896 3.828 3.944 . 0 0 "[ . 1 . 2]" 1
374 1 23 VAL MG1 1 25 PRO QD . . 4.720 4.309 4.211 4.404 . 0 0 "[ . 1 . 2]" 1
375 1 23 VAL MG1 1 27 HIS H . . 4.580 3.925 3.721 4.161 . 0 0 "[ . 1 . 2]" 1
376 1 23 VAL MG1 1 28 GLN H . . 4.850 4.207 4.037 4.366 . 0 0 "[ . 1 . 2]" 1
377 1 23 VAL MG1 1 28 GLN HA . . 3.360 1.966 1.819 2.150 . 0 0 "[ . 1 . 2]" 1
378 1 23 VAL MG1 1 28 GLN HB2 . . 4.590 4.403 4.062 4.562 . 0 0 "[ . 1 . 2]" 1
379 1 23 VAL MG1 1 28 GLN QB . . 4.030 3.447 3.252 3.668 . 0 0 "[ . 1 . 2]" 1
380 1 23 VAL MG1 1 28 GLN HB3 . . 4.590 3.603 3.363 3.873 . 0 0 "[ . 1 . 2]" 1
381 1 23 VAL MG1 1 28 GLN QE . . 4.350 3.610 1.978 4.321 . 0 0 "[ . 1 . 2]" 1
382 1 23 VAL MG1 1 28 GLN QG . . 3.610 3.050 2.281 3.612 0.002 11 0 "[ . 1 . 2]" 1
383 1 23 VAL MG1 1 29 SER H . . 4.130 3.364 2.362 3.949 . 0 0 "[ . 1 . 2]" 1
384 1 23 VAL MG1 1 29 SER HA . . 5.030 4.511 3.898 4.858 . 0 0 "[ . 1 . 2]" 1
385 1 23 VAL MG1 1 30 VAL H . . 4.600 3.065 2.329 3.882 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL MG1 1 30 VAL HB . . 5.080 3.813 3.003 4.500 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL MG1 1 31 TYR QD . . 4.700 4.472 4.281 4.700 0.000 11 0 "[ . 1 . 2]" 1
388 1 23 VAL MG1 1 31 TYR QE . . 4.850 4.393 4.140 4.764 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL MG1 1 65 ASP HB2 . . 3.960 3.763 3.357 3.964 0.004 12 0 "[ . 1 . 2]" 1
390 1 23 VAL MG1 1 65 ASP QB . . 3.460 3.219 2.826 3.460 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL MG1 1 65 ASP HB3 . . 3.960 3.603 2.894 3.962 0.002 13 0 "[ . 1 . 2]" 1
392 1 23 VAL MG2 1 24 ASP H . . 3.640 3.580 3.501 3.644 0.004 11 0 "[ . 1 . 2]" 1
393 1 23 VAL MG2 1 28 GLN HA . . 3.800 3.533 3.257 3.787 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL MG2 1 28 GLN QB . . 4.560 4.305 3.992 4.573 0.013 6 0 "[ . 1 . 2]" 1
395 1 23 VAL MG2 1 29 SER H . . 4.630 4.058 2.588 4.655 0.025 10 0 "[ . 1 . 2]" 1
396 1 23 VAL MG2 1 29 SER HA . . 5.230 4.003 2.973 4.541 . 0 0 "[ . 1 . 2]" 1
397 1 23 VAL MG2 1 30 VAL H . . 4.450 3.447 2.135 4.457 0.007 1 0 "[ . 1 . 2]" 1
398 1 23 VAL MG2 1 31 TYR QD . . 4.260 2.177 1.976 2.411 . 0 0 "[ . 1 . 2]" 1
399 1 23 VAL MG2 1 31 TYR QE . . 3.620 1.992 1.851 2.208 . 0 0 "[ . 1 . 2]" 1
400 1 23 VAL MG2 1 32 CYS H . . 4.870 4.589 4.261 4.871 0.001 19 0 "[ . 1 . 2]" 1
401 1 23 VAL MG2 1 65 ASP HB2 . . 3.570 2.577 1.914 3.239 . 0 0 "[ . 1 . 2]" 1
402 1 23 VAL MG2 1 65 ASP HB3 . . 3.570 2.598 1.967 3.339 . 0 0 "[ . 1 . 2]" 1
403 1 24 ASP H 1 24 ASP HB2 . . 4.020 2.686 2.230 3.615 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASP H 1 24 ASP HB3 . . 4.020 2.867 2.410 3.638 . 0 0 "[ . 1 . 2]" 1
405 1 24 ASP H 1 31 TYR HA . . 4.710 4.191 3.697 4.718 0.008 11 0 "[ . 1 . 2]" 1
406 1 24 ASP H 1 32 CYS H . . 4.840 4.353 3.753 4.820 . 0 0 "[ . 1 . 2]" 1
407 1 24 ASP HA 1 25 PRO HB3 . . 4.930 4.829 4.827 4.832 . 0 0 "[ . 1 . 2]" 1
408 1 24 ASP HA 1 25 PRO HD2 . . 3.550 2.223 2.170 2.299 . 0 0 "[ . 1 . 2]" 1
409 1 24 ASP HA 1 25 PRO HD3 . . 3.550 2.255 2.251 2.267 . 0 0 "[ . 1 . 2]" 1
410 1 24 ASP HA 1 25 PRO HG2 . . 4.500 4.369 4.327 4.430 . 0 0 "[ . 1 . 2]" 1
411 1 24 ASP HA 1 26 GLU H . . 4.720 3.744 3.689 3.938 . 0 0 "[ . 1 . 2]" 1
412 1 24 ASP HA 1 48 PHE QE . . 4.680 3.968 3.286 4.281 . 0 0 "[ . 1 . 2]" 1
413 1 24 ASP HA 1 48 PHE HZ . . 3.860 2.894 2.173 3.343 . 0 0 "[ . 1 . 2]" 1
414 1 24 ASP QB 1 26 GLU H . . 4.770 2.650 2.202 2.862 . 0 0 "[ . 1 . 2]" 1
415 1 24 ASP QB 1 27 HIS H . . 4.210 2.822 2.406 3.824 . 0 0 "[ . 1 . 2]" 1
416 1 24 ASP QB 1 27 HIS QB . . 4.350 3.500 2.715 4.202 . 0 0 "[ . 1 . 2]" 1
417 1 24 ASP QB 1 30 VAL HB . . 4.030 3.121 2.672 3.721 . 0 0 "[ . 1 . 2]" 1
418 1 24 ASP QB 1 30 VAL MG1 . . 3.680 3.002 2.701 3.361 . 0 0 "[ . 1 . 2]" 1
419 1 24 ASP QB 1 30 VAL MG2 . . 4.550 4.080 3.532 4.591 0.041 1 0 "[ . 1 . 2]" 1
420 1 24 ASP QB 1 48 PHE QE . . 4.390 3.667 2.251 4.365 . 0 0 "[ . 1 . 2]" 1
421 1 24 ASP QB 1 48 PHE HZ . . 4.320 3.548 2.045 4.168 . 0 0 "[ . 1 . 2]" 1
422 1 24 ASP HB2 1 30 VAL MG1 . . 4.270 3.397 2.906 4.292 0.022 6 0 "[ . 1 . 2]" 1
423 1 24 ASP HB2 1 48 PHE HZ . . 5.180 3.937 2.106 5.158 . 0 0 "[ . 1 . 2]" 1
424 1 24 ASP HB3 1 30 VAL MG1 . . 4.270 3.672 2.768 4.270 . 0 0 "[ . 1 . 2]" 1
425 1 24 ASP HB3 1 48 PHE HZ . . 5.180 4.391 2.771 5.179 . 0 0 "[ . 1 . 2]" 1
426 1 25 PRO HA 1 27 HIS H . . 4.500 4.115 3.766 4.424 . 0 0 "[ . 1 . 2]" 1
427 1 25 PRO HA 1 28 GLN QG . . 4.820 4.710 4.368 4.833 0.013 6 0 "[ . 1 . 2]" 1
428 1 25 PRO HB2 1 26 GLU H . . 4.340 3.894 3.550 3.984 . 0 0 "[ . 1 . 2]" 1
429 1 25 PRO QD 1 26 GLU H . . 3.730 2.881 2.640 2.970 . 0 0 "[ . 1 . 2]" 1
430 1 25 PRO QD 1 48 PHE QE . . 4.410 3.544 2.898 3.953 . 0 0 "[ . 1 . 2]" 1
431 1 25 PRO QD 1 48 PHE HZ . . 3.470 2.713 2.044 3.021 . 0 0 "[ . 1 . 2]" 1
432 1 25 PRO QD 1 57 PHE QD . . 4.700 3.506 2.948 4.052 . 0 0 "[ . 1 . 2]" 1
433 1 25 PRO QD 1 57 PHE HZ . . 4.690 3.353 2.730 3.844 . 0 0 "[ . 1 . 2]" 1
434 1 25 PRO HD2 1 26 GLU H . . 4.550 2.954 2.688 3.054 . 0 0 "[ . 1 . 2]" 1
435 1 25 PRO HD2 1 48 PHE HZ . . 4.030 2.889 2.076 3.245 . 0 0 "[ . 1 . 2]" 1
436 1 25 PRO HD2 1 57 PHE QD . . 5.350 4.507 3.724 5.335 . 0 0 "[ . 1 . 2]" 1
437 1 25 PRO HD2 1 57 PHE QE . . 4.590 3.623 2.216 4.590 . 0 0 "[ . 1 . 2]" 1
438 1 25 PRO HD3 1 26 GLU H . . 4.550 4.005 3.864 4.057 . 0 0 "[ . 1 . 2]" 1
439 1 25 PRO HD3 1 48 PHE HZ . . 4.030 3.353 2.652 3.728 . 0 0 "[ . 1 . 2]" 1
440 1 25 PRO HD3 1 57 PHE QD . . 5.350 3.666 3.012 4.199 . 0 0 "[ . 1 . 2]" 1
441 1 25 PRO HD3 1 57 PHE QE . . 4.590 2.840 2.094 3.520 . 0 0 "[ . 1 . 2]" 1
442 1 25 PRO HG2 1 26 GLU H . . 4.330 3.221 2.658 3.383 . 0 0 "[ . 1 . 2]" 1
443 1 25 PRO HG2 1 26 GLU HA . . 4.840 4.548 4.293 4.721 . 0 0 "[ . 1 . 2]" 1
444 1 25 PRO HG3 1 48 PHE HZ . . 4.890 4.643 4.150 4.889 . 0 0 "[ . 1 . 2]" 1
445 1 25 PRO HG3 1 57 PHE QD . . 4.570 3.217 2.410 4.018 . 0 0 "[ . 1 . 2]" 1
446 1 25 PRO HG3 1 57 PHE QE . . 4.580 3.791 2.785 4.576 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLU H 1 26 GLU HB2 . . 3.870 2.787 2.362 3.727 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLU H 1 26 GLU QB . . 3.130 2.480 2.332 2.650 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU H 1 26 GLU HB3 . . 3.870 3.405 2.595 3.720 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLU H 1 26 GLU HG2 . . 3.850 3.101 2.248 3.851 0.001 18 0 "[ . 1 . 2]" 1
451 1 26 GLU H 1 26 GLU QG . . 3.370 2.617 2.230 3.082 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLU H 1 26 GLU HG3 . . 3.850 3.253 2.565 3.844 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLU H 1 27 HIS H . . 3.020 2.140 1.911 2.445 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLU H 1 27 HIS QB . . 4.680 4.379 4.158 4.646 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLU HA 1 26 GLU HG2 . . 3.910 2.889 2.316 3.828 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU HA 1 26 GLU QG . . 3.320 2.678 2.269 3.322 0.002 16 0 "[ . 1 . 2]" 1
457 1 26 GLU HA 1 26 GLU HG3 . . 3.910 3.454 2.467 3.832 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLU HA 1 27 HIS H . . 3.570 3.434 3.323 3.515 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLU QB 1 27 HIS H . . 3.650 3.128 2.688 3.650 0.000 19 0 "[ . 1 . 2]" 1
460 1 26 GLU HB2 1 27 HIS H . . 4.190 3.348 2.754 4.192 0.002 5 0 "[ . 1 . 2]" 1
461 1 26 GLU HB3 1 27 HIS H . . 4.190 3.957 3.624 4.213 0.023 11 0 "[ . 1 . 2]" 1
462 1 26 GLU QG 1 27 HIS H . . 4.470 3.761 2.285 4.490 0.020 10 0 "[ . 1 . 2]" 1
463 1 27 HIS H 1 27 HIS HB2 . . 3.940 2.876 2.744 3.148 . 0 0 "[ . 1 . 2]" 1
464 1 27 HIS H 1 27 HIS QB . . 3.380 2.780 2.686 2.901 . 0 0 "[ . 1 . 2]" 1
465 1 27 HIS H 1 27 HIS HB3 . . 3.940 3.785 3.155 3.946 0.006 14 0 "[ . 1 . 2]" 1
466 1 27 HIS H 1 28 GLN H . . 4.140 4.074 3.726 4.164 0.024 10 0 "[ . 1 . 2]" 1
467 1 27 HIS H 1 28 GLN QG . . 4.880 4.760 4.405 4.889 0.009 18 0 "[ . 1 . 2]" 1
468 1 27 HIS H 1 30 VAL HB . . 4.540 4.463 4.202 4.567 0.027 14 0 "[ . 1 . 2]" 1
469 1 27 HIS QB 1 28 GLN H . . 3.790 3.340 3.039 3.686 . 0 0 "[ . 1 . 2]" 1
470 1 27 HIS QB 1 30 VAL HB . . 3.760 2.940 2.175 3.633 . 0 0 "[ . 1 . 2]" 1
471 1 27 HIS QB 1 30 VAL MG1 . . 4.280 3.783 3.298 4.182 . 0 0 "[ . 1 . 2]" 1
472 1 27 HIS QB 1 30 VAL MG2 . . 3.190 2.191 1.855 2.621 . 0 0 "[ . 1 . 2]" 1
473 1 27 HIS HB2 1 28 GLN H . . 4.510 4.373 4.227 4.498 . 0 0 "[ . 1 . 2]" 1
474 1 27 HIS HB2 1 30 VAL HB . . 4.390 3.241 2.462 4.164 . 0 0 "[ . 1 . 2]" 1
475 1 27 HIS HB2 1 30 VAL MG2 . . 3.710 2.600 1.974 3.527 . 0 0 "[ . 1 . 2]" 1
476 1 27 HIS HB3 1 28 GLN H . . 4.510 3.472 3.115 3.952 . 0 0 "[ . 1 . 2]" 1
477 1 27 HIS HB3 1 30 VAL HB . . 4.390 3.624 2.192 4.228 . 0 0 "[ . 1 . 2]" 1
478 1 27 HIS HB3 1 30 VAL MG2 . . 3.710 2.459 1.954 3.070 . 0 0 "[ . 1 . 2]" 1
479 1 28 GLN H 1 28 GLN HB2 . . 3.620 2.342 2.194 2.569 . 0 0 "[ . 1 . 2]" 1
480 1 28 GLN H 1 28 GLN HB3 . . 3.620 3.571 3.482 3.622 0.002 13 0 "[ . 1 . 2]" 1
481 1 28 GLN H 1 28 GLN QG . . 3.520 2.819 2.093 3.334 . 0 0 "[ . 1 . 2]" 1
482 1 28 GLN HA 1 28 GLN QE . . 4.070 3.625 2.023 4.084 0.014 2 0 "[ . 1 . 2]" 1
483 1 28 GLN HA 1 28 GLN QG . . 3.120 2.397 2.217 2.620 . 0 0 "[ . 1 . 2]" 1
484 1 28 GLN HA 1 29 SER H . . 3.230 2.846 2.286 3.230 . 0 0 "[ . 1 . 2]" 1
485 1 28 GLN HA 1 30 VAL H . . 4.340 3.694 3.200 4.203 . 0 0 "[ . 1 . 2]" 1
486 1 28 GLN QB 1 29 SER H . . 3.800 3.302 2.263 3.744 . 0 0 "[ . 1 . 2]" 1
487 1 28 GLN HB2 1 29 SER H . . 4.330 3.889 3.595 4.117 . 0 0 "[ . 1 . 2]" 1
488 1 28 GLN HB3 1 29 SER H . . 4.330 3.782 2.287 4.366 0.036 3 0 "[ . 1 . 2]" 1
489 1 28 GLN QG 1 29 SER H . . 4.770 4.487 4.046 4.735 . 0 0 "[ . 1 . 2]" 1
490 1 29 SER H 1 30 VAL H . . 3.640 2.191 1.796 2.626 . 0 0 "[ . 1 . 2]" 1
491 1 29 SER H 1 30 VAL HB . . 4.950 4.249 3.857 4.960 0.010 9 0 "[ . 1 . 2]" 1
492 1 29 SER H 1 30 VAL MG2 . . 4.930 3.719 2.987 4.583 . 0 0 "[ . 1 . 2]" 1
493 1 29 SER HA 1 31 TYR QE . . 4.520 4.299 4.011 4.521 0.001 6 0 "[ . 1 . 2]" 1
494 1 29 SER HB2 1 30 VAL MG2 . . 4.730 4.017 3.311 4.743 0.013 14 0 "[ . 1 . 2]" 1
495 1 29 SER HB3 1 30 VAL MG2 . . 4.730 3.871 3.031 4.598 . 0 0 "[ . 1 . 2]" 1
496 1 30 VAL H 1 30 VAL HB . . 3.390 2.586 2.315 2.761 . 0 0 "[ . 1 . 2]" 1
497 1 30 VAL H 1 30 VAL MG1 . . 4.040 3.808 3.679 3.893 . 0 0 "[ . 1 . 2]" 1
498 1 30 VAL H 1 30 VAL MG2 . . 3.330 2.824 2.452 3.156 . 0 0 "[ . 1 . 2]" 1
499 1 30 VAL H 1 31 TYR H . . 4.750 4.219 3.776 4.565 . 0 0 "[ . 1 . 2]" 1
500 1 30 VAL HA 1 30 VAL MG1 . . 3.280 2.425 2.314 2.522 . 0 0 "[ . 1 . 2]" 1
501 1 30 VAL HA 1 30 VAL MG2 . . 3.250 2.304 2.181 2.425 . 0 0 "[ . 1 . 2]" 1
502 1 30 VAL HA 1 31 TYR H . . 3.140 2.192 2.143 2.242 . 0 0 "[ . 1 . 2]" 1
503 1 30 VAL HA 1 31 TYR HB2 . . 4.770 4.576 4.428 4.747 . 0 0 "[ . 1 . 2]" 1
504 1 30 VAL HA 1 31 TYR QD . . 4.940 4.434 4.012 4.825 . 0 0 "[ . 1 . 2]" 1
505 1 30 VAL HA 1 80 HIS HE1 . . 4.950 4.662 3.837 4.953 0.003 16 0 "[ . 1 . 2]" 1
506 1 30 VAL HB 1 31 TYR H . . 4.630 4.280 3.955 4.531 . 0 0 "[ . 1 . 2]" 1
507 1 30 VAL MG1 1 31 TYR H . . 3.710 2.648 1.984 3.422 . 0 0 "[ . 1 . 2]" 1
508 1 30 VAL MG1 1 80 HIS HB2 . . 4.560 2.900 2.596 3.297 . 0 0 "[ . 1 . 2]" 1
509 1 30 VAL MG1 1 80 HIS QB . . 3.680 2.780 2.514 3.146 . 0 0 "[ . 1 . 2]" 1
510 1 30 VAL MG1 1 80 HIS HB3 . . 4.560 3.576 3.248 3.977 . 0 0 "[ . 1 . 2]" 1
511 1 30 VAL MG1 1 80 HIS HD2 . . 4.020 3.501 2.893 4.009 . 0 0 "[ . 1 . 2]" 1
512 1 30 VAL MG1 1 80 HIS HE1 . . 4.520 3.654 2.728 4.518 . 0 0 "[ . 1 . 2]" 1
513 1 30 VAL MG2 1 31 TYR H . . 4.220 4.022 3.798 4.212 . 0 0 "[ . 1 . 2]" 1
514 1 30 VAL MG2 1 80 HIS HE1 . . 5.100 3.282 2.473 4.033 . 0 0 "[ . 1 . 2]" 1
515 1 31 TYR H 1 31 TYR HB2 . . 3.690 2.538 2.419 2.748 . 0 0 "[ . 1 . 2]" 1
516 1 31 TYR H 1 31 TYR HB3 . . 3.950 3.686 3.618 3.837 . 0 0 "[ . 1 . 2]" 1
517 1 31 TYR H 1 31 TYR QD . . 3.700 3.236 2.883 3.604 . 0 0 "[ . 1 . 2]" 1
518 1 31 TYR H 1 80 HIS HD2 . . 4.370 3.078 2.372 4.268 . 0 0 "[ . 1 . 2]" 1
519 1 31 TYR HA 1 32 CYS H . . 3.200 2.149 2.138 2.171 . 0 0 "[ . 1 . 2]" 1
520 1 31 TYR HB2 1 32 CYS H . . 4.430 4.362 4.118 4.437 0.007 18 0 "[ . 1 . 2]" 1
521 1 31 TYR HB2 1 79 LEU MD1 . . 3.970 3.079 2.547 3.573 . 0 0 "[ . 1 . 2]" 1
522 1 31 TYR HB3 1 32 CYS H . . 4.010 3.611 3.262 3.796 . 0 0 "[ . 1 . 2]" 1
523 1 31 TYR HB3 1 79 LEU MD1 . . 4.460 3.236 2.757 3.578 . 0 0 "[ . 1 . 2]" 1
524 1 31 TYR HB3 1 80 HIS H . . 4.940 4.712 4.376 4.940 . 0 0 "[ . 1 . 2]" 1
525 1 31 TYR QD 1 32 CYS H . . 4.480 4.058 3.797 4.257 . 0 0 "[ . 1 . 2]" 1
526 1 31 TYR QD 1 67 HIS HD2 . . 4.650 4.124 3.624 4.641 . 0 0 "[ . 1 . 2]" 1
527 1 31 TYR QE 1 67 HIS HD2 . . 3.830 3.416 2.638 3.831 0.001 6 0 "[ . 1 . 2]" 1
528 1 31 TYR QE 1 71 TRP HH2 . . 4.680 3.137 2.291 3.944 . 0 0 "[ . 1 . 2]" 1
529 1 31 TYR QE 1 71 TRP HZ3 . . 4.500 3.079 2.453 4.140 . 0 0 "[ . 1 . 2]" 1
530 1 31 TYR QE 1 77 HIS HB2 . . 4.780 4.229 2.950 4.772 . 0 0 "[ . 1 . 2]" 1
531 1 31 TYR QE 1 77 HIS QB . . 4.090 3.640 2.426 4.072 . 0 0 "[ . 1 . 2]" 1
532 1 31 TYR QE 1 77 HIS HB3 . . 4.780 4.012 2.580 4.741 . 0 0 "[ . 1 . 2]" 1
533 1 31 TYR QE 1 77 HIS HD2 . . 4.240 3.375 2.191 4.101 . 0 0 "[ . 1 . 2]" 1
534 1 32 CYS H 1 32 CYS HB2 . . 4.130 2.811 2.370 3.730 . 0 0 "[ . 1 . 2]" 1
535 1 32 CYS H 1 32 CYS HB3 . . 4.130 3.210 2.581 3.792 . 0 0 "[ . 1 . 2]" 1
536 1 32 CYS H 1 33 VAL H . . 5.200 4.509 4.424 4.543 . 0 0 "[ . 1 . 2]" 1
537 1 32 CYS H 1 34 LEU MD1 . . 5.070 4.088 3.600 4.549 . 0 0 "[ . 1 . 2]" 1
538 1 32 CYS H 1 34 LEU HG . . 4.870 4.576 4.121 4.836 . 0 0 "[ . 1 . 2]" 1
539 1 32 CYS H 1 48 PHE QE . . 5.410 4.708 4.287 5.308 . 0 0 "[ . 1 . 2]" 1
540 1 32 CYS H 1 79 LEU MD1 . . 4.390 4.152 3.742 4.378 . 0 0 "[ . 1 . 2]" 1
541 1 32 CYS HA 1 33 VAL MG1 . . 4.410 3.832 3.633 4.001 . 0 0 "[ . 1 . 2]" 1
542 1 32 CYS HA 1 79 LEU MD1 . . 3.910 2.552 2.284 2.953 . 0 0 "[ . 1 . 2]" 1
543 1 32 CYS HA 1 80 HIS H . . 4.010 3.460 2.762 4.012 0.002 12 0 "[ . 1 . 2]" 1
544 1 32 CYS HA 1 80 HIS HB2 . . 4.770 3.113 2.634 3.513 . 0 0 "[ . 1 . 2]" 1
545 1 32 CYS HA 1 80 HIS QB . . 4.110 3.058 2.605 3.426 . 0 0 "[ . 1 . 2]" 1
546 1 32 CYS HA 1 80 HIS HB3 . . 4.770 4.502 4.083 4.772 0.002 3 0 "[ . 1 . 2]" 1
547 1 32 CYS QB 1 34 LEU MD1 . . 4.490 3.916 3.563 4.472 . 0 0 "[ . 1 . 2]" 1
548 1 32 CYS QB 1 34 LEU MD2 . . 3.860 3.259 2.964 3.592 . 0 0 "[ . 1 . 2]" 1
549 1 32 CYS QB 1 34 LEU HG . . 4.570 3.558 3.229 3.992 . 0 0 "[ . 1 . 2]" 1
550 1 32 CYS QB 1 48 PHE QE . . 3.840 2.446 1.963 3.650 . 0 0 "[ . 1 . 2]" 1
551 1 32 CYS HB2 1 33 VAL H . . 4.040 3.704 2.537 4.041 0.001 18 0 "[ . 1 . 2]" 1
552 1 32 CYS HB2 1 34 LEU MD2 . . 4.720 4.011 3.259 4.720 0.000 1 0 "[ . 1 . 2]" 1
553 1 32 CYS HB2 1 48 PHE QD . . 4.460 3.911 3.345 4.453 . 0 0 "[ . 1 . 2]" 1
554 1 32 CYS HB2 1 48 PHE QE . . 4.620 2.898 2.245 4.088 . 0 0 "[ . 1 . 2]" 1
555 1 32 CYS HB3 1 33 VAL H . . 4.040 3.160 2.284 3.978 . 0 0 "[ . 1 . 2]" 1
556 1 32 CYS HB3 1 34 LEU MD2 . . 4.720 3.714 3.008 4.694 . 0 0 "[ . 1 . 2]" 1
557 1 32 CYS HB3 1 48 PHE QD . . 4.460 3.460 2.820 4.461 0.001 15 0 "[ . 1 . 2]" 1
558 1 32 CYS HB3 1 48 PHE QE . . 4.620 2.900 2.003 4.107 . 0 0 "[ . 1 . 2]" 1
559 1 33 VAL H 1 33 VAL HB . . 3.990 2.844 2.706 2.958 . 0 0 "[ . 1 . 2]" 1
560 1 33 VAL H 1 33 VAL MG1 . . 3.540 1.934 1.855 2.047 . 0 0 "[ . 1 . 2]" 1
561 1 33 VAL H 1 79 LEU MD1 . . 3.930 3.086 2.627 3.408 . 0 0 "[ . 1 . 2]" 1
562 1 33 VAL HA 1 33 VAL MG1 . . 3.530 3.179 3.163 3.201 . 0 0 "[ . 1 . 2]" 1
563 1 33 VAL HA 1 33 VAL MG2 . . 3.450 2.429 2.335 2.483 . 0 0 "[ . 1 . 2]" 1
564 1 33 VAL HA 1 34 LEU H . . 3.120 2.160 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
565 1 33 VAL HA 1 92 TRP HH2 . . 4.190 3.840 3.288 4.197 0.007 3 0 "[ . 1 . 2]" 1
566 1 33 VAL MG1 1 34 LEU H . . 4.330 4.118 3.922 4.266 . 0 0 "[ . 1 . 2]" 1
567 1 33 VAL MG1 1 49 ASP QB . . 4.190 2.330 1.962 3.561 . 0 0 "[ . 1 . 2]" 1
568 1 33 VAL MG1 1 79 LEU MD1 . . 3.850 3.563 3.267 3.782 . 0 0 "[ . 1 . 2]" 1
569 1 33 VAL MG1 1 79 LEU MD2 . . 3.900 3.786 3.472 3.902 0.002 15 0 "[ . 1 . 2]" 1
570 1 33 VAL MG1 1 81 PRO HA . . 3.550 3.326 2.846 3.555 0.005 15 0 "[ . 1 . 2]" 1
571 1 33 VAL MG1 1 81 PRO HB3 . . 5.450 5.161 4.589 5.428 . 0 0 "[ . 1 . 2]" 1
572 1 33 VAL MG1 1 82 PRO HB3 . . 3.660 2.872 2.441 3.255 . 0 0 "[ . 1 . 2]" 1
573 1 33 VAL MG1 1 90 PHE QE . . 4.000 3.277 2.844 3.703 . 0 0 "[ . 1 . 2]" 1
574 1 33 VAL MG1 1 90 PHE HZ . . 4.540 3.397 2.954 4.119 . 0 0 "[ . 1 . 2]" 1
575 1 33 VAL MG1 1 92 TRP HH2 . . 4.760 4.609 4.170 4.766 0.006 10 0 "[ . 1 . 2]" 1
576 1 33 VAL MG1 1 92 TRP HZ2 . . 4.520 4.450 4.186 4.530 0.010 3 0 "[ . 1 . 2]" 1
577 1 33 VAL MG1 1 95 TYR QE . . 4.680 4.464 4.169 4.681 0.001 18 0 "[ . 1 . 2]" 1
578 1 33 VAL MG2 1 34 LEU H . . 3.580 2.545 2.089 2.938 . 0 0 "[ . 1 . 2]" 1
579 1 33 VAL MG2 1 49 ASP H . . 4.390 4.011 3.710 4.278 . 0 0 "[ . 1 . 2]" 1
580 1 33 VAL MG2 1 49 ASP HB2 . . 4.230 2.834 2.316 4.117 . 0 0 "[ . 1 . 2]" 1
581 1 33 VAL MG2 1 49 ASP QB . . 3.630 2.681 2.278 3.129 . 0 0 "[ . 1 . 2]" 1
582 1 33 VAL MG2 1 49 ASP HB3 . . 4.230 3.491 3.191 3.923 . 0 0 "[ . 1 . 2]" 1
583 1 33 VAL MG2 1 90 PHE QE . . 4.740 3.492 3.037 4.133 . 0 0 "[ . 1 . 2]" 1
584 1 33 VAL MG2 1 90 PHE HZ . . 4.130 2.888 2.297 3.916 . 0 0 "[ . 1 . 2]" 1
585 1 33 VAL MG2 1 92 TRP HH2 . . 3.250 1.990 1.790 2.156 . 0 0 "[ . 1 . 2]" 1
586 1 33 VAL MG2 1 92 TRP HZ2 . . 3.890 2.762 2.359 3.096 . 0 0 "[ . 1 . 2]" 1
587 1 33 VAL MG2 1 92 TRP HZ3 . . 3.930 3.349 3.100 3.579 . 0 0 "[ . 1 . 2]" 1
588 1 33 VAL MG2 1 95 TYR QD . . 4.180 3.731 3.012 4.074 . 0 0 "[ . 1 . 2]" 1
589 1 33 VAL MG2 1 95 TYR QE . . 3.510 3.205 2.851 3.502 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU H 1 34 LEU HB2 . . 4.010 2.740 2.615 2.867 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU H 1 34 LEU MD1 . . 4.390 3.637 3.513 3.854 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU H 1 34 LEU MD2 . . 4.570 4.037 3.900 4.222 . 0 0 "[ . 1 . 2]" 1
593 1 34 LEU H 1 34 LEU HG . . 3.560 2.818 2.630 3.104 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU H 1 92 TRP HH2 . . 4.230 3.918 3.388 4.231 0.001 10 0 "[ . 1 . 2]" 1
595 1 34 LEU HA 1 34 LEU MD1 . . 4.480 3.968 3.943 3.992 . 0 0 "[ . 1 . 2]" 1
596 1 34 LEU HA 1 34 LEU MD2 . . 3.390 2.508 2.344 2.660 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU HA 1 35 THR H . . 3.180 2.401 2.274 2.440 . 0 0 "[ . 1 . 2]" 1
598 1 34 LEU HA 1 35 THR HG1 . . 4.290 3.737 3.326 4.177 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU HA 1 49 ASP H . . 4.290 3.009 2.570 3.409 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU HB2 1 34 LEU MD1 . . 3.570 2.045 1.980 2.176 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU HB2 1 34 LEU MD2 . . 3.500 3.133 3.116 3.158 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU HB2 1 35 THR H . . 3.920 3.474 3.327 3.775 . 0 0 "[ . 1 . 2]" 1
603 1 34 LEU HB2 1 46 LEU MD1 . . 4.220 2.341 1.992 2.636 . 0 0 "[ . 1 . 2]" 1
604 1 34 LEU HB3 1 35 THR H . . 4.020 2.458 2.361 2.757 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU HB3 1 46 LEU MD1 . . 3.750 2.434 2.069 2.970 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU HB3 1 47 HIS H . . 5.200 3.050 2.694 3.384 . 0 0 "[ . 1 . 2]" 1
607 1 34 LEU MD1 1 48 PHE QE . . 5.130 4.025 3.607 4.601 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU MD1 1 57 PHE HZ . . 3.670 2.490 1.969 2.975 . 0 0 "[ . 1 . 2]" 1
609 1 34 LEU MD1 1 66 ILE HB . . 5.000 4.842 4.555 5.000 . 11 0 "[ . 1 . 2]" 1
610 1 34 LEU MD1 1 66 ILE MG . . 3.690 3.461 3.242 3.687 . 0 0 "[ . 1 . 2]" 1
611 1 34 LEU MD2 1 35 THR H . . 3.910 3.595 3.358 3.738 . 0 0 "[ . 1 . 2]" 1
612 1 34 LEU MD2 1 46 LEU HA . . 4.330 4.157 3.784 4.331 0.001 1 0 "[ . 1 . 2]" 1
613 1 34 LEU MD2 1 46 LEU QB . . 4.560 2.532 2.148 2.805 . 0 0 "[ . 1 . 2]" 1
614 1 34 LEU MD2 1 46 LEU MD2 . . 4.960 4.831 4.590 4.954 . 0 0 "[ . 1 . 2]" 1
615 1 34 LEU MD2 1 48 PHE H . . 4.650 3.637 3.102 4.259 . 0 0 "[ . 1 . 2]" 1
616 1 34 LEU MD2 1 48 PHE QB . . 4.580 3.539 3.317 3.743 . 0 0 "[ . 1 . 2]" 1
617 1 34 LEU MD2 1 48 PHE QD . . 3.780 2.582 2.277 3.039 . 0 0 "[ . 1 . 2]" 1
618 1 34 LEU MD2 1 48 PHE QE . . 3.990 2.674 2.449 3.184 . 0 0 "[ . 1 . 2]" 1
619 1 34 LEU MD2 1 48 PHE HZ . . 4.600 3.305 2.836 3.885 . 0 0 "[ . 1 . 2]" 1
620 1 34 LEU MD2 1 49 ASP H . . 4.180 3.569 3.055 4.148 . 0 0 "[ . 1 . 2]" 1
621 1 34 LEU MD2 1 57 PHE QE . . 3.540 2.931 1.990 3.540 . 0 0 "[ . 1 . 2]" 1
622 1 34 LEU MD2 1 57 PHE HZ . . 4.390 2.964 2.327 3.282 . 0 0 "[ . 1 . 2]" 1
623 1 35 THR H 1 35 THR HB . . 3.310 2.812 2.696 2.919 . 0 0 "[ . 1 . 2]" 1
624 1 35 THR H 1 35 THR HG1 . . 4.230 3.131 2.711 3.527 . 0 0 "[ . 1 . 2]" 1
625 1 35 THR H 1 46 LEU MD1 . . 4.280 3.965 3.569 4.215 . 0 0 "[ . 1 . 2]" 1
626 1 35 THR H 1 47 HIS HB2 . . 5.140 4.726 4.502 4.988 . 0 0 "[ . 1 . 2]" 1
627 1 35 THR H 1 47 HIS HB3 . . 4.150 3.168 2.851 3.560 . 0 0 "[ . 1 . 2]" 1
628 1 35 THR H 1 47 HIS HD2 . . 4.360 3.716 3.234 4.311 . 0 0 "[ . 1 . 2]" 1
629 1 35 THR H 1 49 ASP H . . 4.880 4.477 4.073 4.852 . 0 0 "[ . 1 . 2]" 1
630 1 35 THR HA 1 35 THR MG . . 3.310 2.302 2.188 2.362 . 0 0 "[ . 1 . 2]" 1
631 1 35 THR HA 1 36 VAL H . . 3.140 2.174 2.147 2.222 . 0 0 "[ . 1 . 2]" 1
632 1 35 THR HA 1 36 VAL MG2 . . 4.000 3.536 3.416 3.729 . 0 0 "[ . 1 . 2]" 1
633 1 35 THR HB 1 47 HIS H . . 4.710 4.318 4.005 4.666 . 0 0 "[ . 1 . 2]" 1
634 1 35 THR HB 1 47 HIS HB2 . . 4.900 4.772 4.500 4.902 0.002 6 0 "[ . 1 . 2]" 1
635 1 35 THR HB 1 47 HIS HB3 . . 3.900 3.108 2.857 3.270 . 0 0 "[ . 1 . 2]" 1
636 1 35 THR HB 1 47 HIS HD2 . . 4.040 2.680 2.021 3.067 . 0 0 "[ . 1 . 2]" 1
637 1 35 THR MG 1 36 VAL H . . 3.080 2.230 1.951 2.445 . 0 0 "[ . 1 . 2]" 1
638 1 35 THR MG 1 36 VAL HB . . 3.980 3.666 3.460 3.765 . 0 0 "[ . 1 . 2]" 1
639 1 35 THR MG 1 36 VAL MG1 . . 4.870 4.584 4.462 4.685 . 0 0 "[ . 1 . 2]" 1
640 1 35 THR MG 1 36 VAL MG2 . . 3.860 3.685 3.386 3.857 . 0 0 "[ . 1 . 2]" 1
641 1 35 THR MG 1 47 HIS HB3 . . 4.510 4.201 3.897 4.434 . 0 0 "[ . 1 . 2]" 1
642 1 35 THR MG 1 47 HIS HD2 . . 4.620 4.062 3.410 4.481 . 0 0 "[ . 1 . 2]" 1
643 1 36 VAL H 1 36 VAL HB . . 3.400 2.637 2.537 2.815 . 0 0 "[ . 1 . 2]" 1
644 1 36 VAL H 1 36 VAL MG1 . . 3.900 3.759 3.722 3.770 . 0 0 "[ . 1 . 2]" 1
645 1 36 VAL H 1 36 VAL MG2 . . 3.130 2.001 1.874 2.265 . 0 0 "[ . 1 . 2]" 1
646 1 36 VAL H 1 37 ALA H . . 4.780 4.397 4.305 4.498 . 0 0 "[ . 1 . 2]" 1
647 1 36 VAL H 1 46 LEU HA . . 5.500 5.357 5.023 5.501 0.001 8 0 "[ . 1 . 2]" 1
648 1 36 VAL H 1 46 LEU MD1 . . 4.990 4.661 4.376 4.883 . 0 0 "[ . 1 . 2]" 1
649 1 36 VAL HA 1 36 VAL MG1 . . 3.380 2.288 2.130 2.418 . 0 0 "[ . 1 . 2]" 1
650 1 36 VAL HA 1 36 VAL MG2 . . 3.360 2.423 2.315 2.505 . 0 0 "[ . 1 . 2]" 1
651 1 36 VAL HA 1 37 ALA H . . 3.220 2.155 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
652 1 36 VAL HA 1 37 ALA MB . . 4.030 3.974 3.918 4.008 . 0 0 "[ . 1 . 2]" 1
653 1 36 VAL HA 1 38 GLU H . . 3.840 3.614 3.451 3.758 . 0 0 "[ . 1 . 2]" 1
654 1 36 VAL HA 1 44 ILE MD . . 4.820 4.498 4.283 4.823 0.003 6 0 "[ . 1 . 2]" 1
655 1 36 VAL HA 1 46 LEU MD1 . . 3.880 3.731 3.466 3.880 . 14 0 "[ . 1 . 2]" 1
656 1 36 VAL HB 1 37 ALA H . . 4.840 4.307 4.135 4.427 . 0 0 "[ . 1 . 2]" 1
657 1 36 VAL HB 1 39 VAL MG2 . . 4.780 4.188 4.015 4.352 . 0 0 "[ . 1 . 2]" 1
658 1 36 VAL MG1 1 37 ALA H . . 3.720 2.944 2.690 3.203 . 0 0 "[ . 1 . 2]" 1
659 1 36 VAL MG1 1 38 GLU H . . 3.430 2.773 2.485 3.132 . 0 0 "[ . 1 . 2]" 1
660 1 36 VAL MG1 1 39 VAL H . . 4.830 4.419 4.226 4.586 . 0 0 "[ . 1 . 2]" 1
661 1 36 VAL MG1 1 39 VAL HA . . 4.350 4.092 3.869 4.303 . 0 0 "[ . 1 . 2]" 1
662 1 36 VAL MG1 1 39 VAL MG2 . . 3.070 2.045 1.881 2.207 . 0 0 "[ . 1 . 2]" 1
663 1 36 VAL MG1 1 44 ILE HB . . 3.580 3.034 2.736 3.448 . 0 0 "[ . 1 . 2]" 1
664 1 36 VAL MG1 1 44 ILE MD . . 4.110 3.571 3.309 3.919 . 0 0 "[ . 1 . 2]" 1
665 1 36 VAL MG1 1 45 LYS H . . 4.290 3.655 3.264 3.943 . 0 0 "[ . 1 . 2]" 1
666 1 36 VAL MG2 1 37 ALA H . . 4.270 4.207 4.108 4.286 0.016 10 0 "[ . 1 . 2]" 1
667 1 36 VAL MG2 1 44 ILE HB . . 4.160 3.739 3.277 4.164 0.004 5 0 "[ . 1 . 2]" 1
668 1 36 VAL MG2 1 44 ILE MD . . 3.500 2.966 2.439 3.499 . 0 0 "[ . 1 . 2]" 1
669 1 36 VAL MG2 1 46 LEU HA . . 4.840 4.605 4.366 4.836 . 0 0 "[ . 1 . 2]" 1
670 1 36 VAL MG2 1 46 LEU MD1 . . 3.600 3.498 3.281 3.603 0.003 7 0 "[ . 1 . 2]" 1
671 1 37 ALA H 1 37 ALA MB . . 3.130 2.213 2.116 2.373 . 0 0 "[ . 1 . 2]" 1
672 1 37 ALA H 1 38 GLU H . . 3.160 2.185 1.971 2.329 . 0 0 "[ . 1 . 2]" 1
673 1 37 ALA H 1 45 LYS QB . . 4.800 2.833 2.352 3.314 . 0 0 "[ . 1 . 2]" 1
674 1 37 ALA H 1 45 LYS HG2 . . 4.250 3.955 3.435 4.200 . 0 0 "[ . 1 . 2]" 1
675 1 37 ALA H 1 47 HIS H . . 4.210 3.808 3.422 4.060 . 0 0 "[ . 1 . 2]" 1
676 1 37 ALA H 1 47 HIS HB3 . . 4.840 4.020 3.674 4.493 . 0 0 "[ . 1 . 2]" 1
677 1 37 ALA MB 1 38 GLU H . . 3.390 2.844 2.675 3.082 . 0 0 "[ . 1 . 2]" 1
678 1 37 ALA MB 1 38 GLU HB2 . . 4.080 3.170 3.118 3.267 . 0 0 "[ . 1 . 2]" 1
679 1 37 ALA MB 1 38 GLU HB3 . . 4.470 4.073 3.803 4.208 . 0 0 "[ . 1 . 2]" 1
680 1 37 ALA MB 1 38 GLU QG . . 4.920 4.808 4.550 4.921 0.001 17 0 "[ . 1 . 2]" 1
681 1 37 ALA MB 1 45 LYS QB . . 4.190 2.849 2.478 3.359 . 0 0 "[ . 1 . 2]" 1
682 1 37 ALA MB 1 45 LYS QE . . 4.670 3.570 2.759 4.326 . 0 0 "[ . 1 . 2]" 1
683 1 37 ALA MB 1 45 LYS HG2 . . 3.780 2.870 2.234 3.214 . 0 0 "[ . 1 . 2]" 1
684 1 37 ALA MB 1 45 LYS HG3 . . 4.640 4.212 3.666 4.578 . 0 0 "[ . 1 . 2]" 1
685 1 37 ALA MB 1 47 HIS H . . 3.810 3.649 3.322 3.810 0.000 16 0 "[ . 1 . 2]" 1
686 1 37 ALA MB 1 47 HIS HB2 . . 3.350 2.438 2.009 2.726 . 0 0 "[ . 1 . 2]" 1
687 1 37 ALA MB 1 47 HIS HB3 . . 3.900 2.814 2.411 3.123 . 0 0 "[ . 1 . 2]" 1
688 1 38 GLU H 1 38 GLU HB2 . . 3.980 3.161 3.026 3.276 . 0 0 "[ . 1 . 2]" 1
689 1 38 GLU H 1 38 GLU HB3 . . 3.930 3.148 2.973 3.322 . 0 0 "[ . 1 . 2]" 1
690 1 38 GLU H 1 38 GLU QG . . 4.540 4.313 4.209 4.471 . 0 0 "[ . 1 . 2]" 1
691 1 38 GLU H 1 39 VAL H . . 4.440 4.350 4.280 4.381 . 0 0 "[ . 1 . 2]" 1
692 1 38 GLU H 1 39 VAL MG2 . . 4.190 3.705 3.546 3.872 . 0 0 "[ . 1 . 2]" 1
693 1 38 GLU H 1 45 LYS H . . 3.630 3.318 3.081 3.585 . 0 0 "[ . 1 . 2]" 1
694 1 38 GLU H 1 45 LYS HB2 . . 4.340 3.180 2.750 3.598 . 0 0 "[ . 1 . 2]" 1
695 1 38 GLU H 1 45 LYS QB . . 3.660 1.906 1.872 1.990 . 0 0 "[ . 1 . 2]" 1
696 1 38 GLU H 1 45 LYS HB3 . . 4.340 1.924 1.894 2.000 . 0 0 "[ . 1 . 2]" 1
697 1 38 GLU H 1 45 LYS QD . . 4.290 3.461 3.251 3.656 . 0 0 "[ . 1 . 2]" 1
698 1 38 GLU H 1 45 LYS HG2 . . 4.240 3.956 3.655 4.238 . 0 0 "[ . 1 . 2]" 1
699 1 38 GLU H 1 45 LYS HG3 . . 4.860 4.839 4.770 4.868 0.008 7 0 "[ . 1 . 2]" 1
700 1 38 GLU HA 1 38 GLU QG . . 3.520 2.512 2.157 2.896 . 0 0 "[ . 1 . 2]" 1
701 1 38 GLU HA 1 39 VAL H . . 2.860 2.324 2.255 2.428 . 0 0 "[ . 1 . 2]" 1
702 1 38 GLU HA 1 39 VAL HB . . 4.610 4.547 4.484 4.614 0.004 10 0 "[ . 1 . 2]" 1
703 1 38 GLU HA 1 39 VAL MG2 . . 3.920 3.423 3.186 3.594 . 0 0 "[ . 1 . 2]" 1
704 1 38 GLU HA 1 45 LYS HD2 . . 5.500 5.181 4.847 5.465 . 0 0 "[ . 1 . 2]" 1
705 1 38 GLU HA 1 45 LYS QD . . 4.770 4.423 4.195 4.629 . 0 0 "[ . 1 . 2]" 1
706 1 38 GLU HA 1 45 LYS HD3 . . 5.500 4.825 4.538 5.224 . 0 0 "[ . 1 . 2]" 1
707 1 38 GLU HB2 1 39 VAL H . . 4.180 4.064 3.896 4.181 0.001 12 0 "[ . 1 . 2]" 1
708 1 38 GLU HB2 1 45 LYS H . . 5.230 5.012 4.735 5.224 . 0 0 "[ . 1 . 2]" 1
709 1 38 GLU HB2 1 45 LYS HB2 . . 4.150 3.461 3.118 3.755 . 0 0 "[ . 1 . 2]" 1
710 1 38 GLU HB2 1 45 LYS QB . . 3.570 3.046 2.680 3.373 . 0 0 "[ . 1 . 2]" 1
711 1 38 GLU HB2 1 45 LYS HB3 . . 4.150 3.410 2.871 3.946 . 0 0 "[ . 1 . 2]" 1
712 1 38 GLU HB2 1 45 LYS QD . . 4.030 2.400 2.074 2.769 . 0 0 "[ . 1 . 2]" 1
713 1 38 GLU HB2 1 45 LYS QE . . 4.520 4.262 3.896 4.520 . 0 0 "[ . 1 . 2]" 1
714 1 38 GLU HB3 1 39 VAL H . . 4.070 3.472 3.248 3.655 . 0 0 "[ . 1 . 2]" 1
715 1 38 GLU HB3 1 45 LYS H . . 4.290 3.678 3.410 3.970 . 0 0 "[ . 1 . 2]" 1
716 1 38 GLU HB3 1 45 LYS HB2 . . 4.120 2.194 2.017 2.478 . 0 0 "[ . 1 . 2]" 1
717 1 38 GLU HB3 1 45 LYS QB . . 3.510 2.118 1.927 2.415 . 0 0 "[ . 1 . 2]" 1
718 1 38 GLU HB3 1 45 LYS HB3 . . 4.120 2.877 2.324 3.436 . 0 0 "[ . 1 . 2]" 1
719 1 38 GLU HB3 1 45 LYS QD . . 4.180 2.358 2.160 2.573 . 0 0 "[ . 1 . 2]" 1
720 1 38 GLU HB3 1 45 LYS HE2 . . 5.490 5.032 4.576 5.370 . 0 0 "[ . 1 . 2]" 1
721 1 38 GLU HB3 1 45 LYS QE . . 4.740 4.364 4.032 4.728 . 0 0 "[ . 1 . 2]" 1
722 1 38 GLU HB3 1 45 LYS HE3 . . 5.490 4.820 4.414 5.249 . 0 0 "[ . 1 . 2]" 1
723 1 38 GLU HB3 1 58 TRP HH2 . . 4.330 2.860 2.064 3.511 . 0 0 "[ . 1 . 2]" 1
724 1 38 GLU QG 1 39 VAL H . . 3.220 2.155 1.892 2.549 . 0 0 "[ . 1 . 2]" 1
725 1 38 GLU QG 1 39 VAL MG2 . . 5.220 4.411 4.068 4.693 . 0 0 "[ . 1 . 2]" 1
726 1 38 GLU QG 1 40 CYS HB2 . . 5.190 3.674 3.458 4.524 . 0 0 "[ . 1 . 2]" 1
727 1 38 GLU QG 1 58 TRP HH2 . . 3.900 2.807 2.382 3.499 . 0 0 "[ . 1 . 2]" 1
728 1 38 GLU QG 1 58 TRP HZ2 . . 5.370 3.714 2.930 4.559 . 0 0 "[ . 1 . 2]" 1
729 1 39 VAL H 1 39 VAL HB . . 3.340 2.818 2.708 2.941 . 0 0 "[ . 1 . 2]" 1
730 1 39 VAL H 1 39 VAL MG1 . . 4.720 3.916 3.875 3.969 . 0 0 "[ . 1 . 2]" 1
731 1 39 VAL H 1 39 VAL MG2 . . 3.420 2.951 2.806 3.075 . 0 0 "[ . 1 . 2]" 1
732 1 39 VAL HA 1 39 VAL MG1 . . 3.120 2.354 2.274 2.451 . 0 0 "[ . 1 . 2]" 1
733 1 39 VAL HA 1 39 VAL MG2 . . 3.330 2.361 2.279 2.446 . 0 0 "[ . 1 . 2]" 1
734 1 39 VAL HA 1 40 CYS H . . 3.000 2.165 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
735 1 39 VAL HA 1 44 ILE MG . . 3.700 3.015 2.693 3.261 . 0 0 "[ . 1 . 2]" 1
736 1 39 VAL HA 1 45 LYS H . . 4.120 3.037 2.803 3.210 . 0 0 "[ . 1 . 2]" 1
737 1 39 VAL HB 1 40 CYS H . . 4.270 4.123 3.903 4.271 0.001 9 0 "[ . 1 . 2]" 1
738 1 39 VAL HB 1 40 CYS HB2 . . 5.500 5.266 4.960 5.473 . 0 0 "[ . 1 . 2]" 1
739 1 39 VAL HB 1 44 ILE MG . . 4.770 4.312 4.082 4.712 . 0 0 "[ . 1 . 2]" 1
740 1 39 VAL MG1 1 40 CYS H . . 3.550 2.416 1.891 2.752 . 0 0 "[ . 1 . 2]" 1
741 1 39 VAL MG1 1 45 LYS H . . 4.700 4.591 4.318 4.701 0.001 7 0 "[ . 1 . 2]" 1
742 1 39 VAL MG2 1 40 CYS H . . 4.120 4.022 3.937 4.101 . 0 0 "[ . 1 . 2]" 1
743 1 39 VAL MG2 1 44 ILE MD . . 4.670 4.111 3.856 4.501 . 0 0 "[ . 1 . 2]" 1
744 1 39 VAL MG2 1 45 LYS H . . 4.630 3.473 3.198 3.742 . 0 0 "[ . 1 . 2]" 1
745 1 40 CYS H 1 40 CYS HB2 . . 3.950 3.259 3.123 3.449 . 0 0 "[ . 1 . 2]" 1
746 1 40 CYS H 1 40 CYS HB3 . . 3.790 3.203 3.063 3.370 . 0 0 "[ . 1 . 2]" 1
747 1 40 CYS H 1 43 ARG H . . 4.500 3.840 3.221 4.229 . 0 0 "[ . 1 . 2]" 1
748 1 40 CYS H 1 44 ILE HA . . 4.140 3.104 2.893 3.301 . 0 0 "[ . 1 . 2]" 1
749 1 40 CYS H 1 45 LYS H . . 4.650 4.421 4.193 4.622 . 0 0 "[ . 1 . 2]" 1
750 1 40 CYS H 1 58 TRP HH2 . . 4.710 3.989 3.505 4.433 . 0 0 "[ . 1 . 2]" 1
751 1 40 CYS H 1 58 TRP HZ3 . . 3.810 2.320 1.905 2.744 . 0 0 "[ . 1 . 2]" 1
752 1 40 CYS HB2 1 58 TRP HH2 . . 3.840 3.038 2.515 3.652 . 0 0 "[ . 1 . 2]" 1
753 1 40 CYS HB2 1 58 TRP HZ3 . . 4.170 3.346 2.887 4.021 . 0 0 "[ . 1 . 2]" 1
754 1 40 CYS HB3 1 43 ARG H . . 5.120 5.034 4.838 5.120 0.000 10 0 "[ . 1 . 2]" 1
755 1 40 CYS HB3 1 43 ARG QB . . 5.340 4.811 4.359 5.217 . 0 0 "[ . 1 . 2]" 1
756 1 40 CYS HB3 1 58 TRP HH2 . . 3.940 3.266 2.914 3.830 . 0 0 "[ . 1 . 2]" 1
757 1 40 CYS HB3 1 58 TRP HZ3 . . 4.040 2.722 2.096 3.801 . 0 0 "[ . 1 . 2]" 1
758 1 41 GLY QA 1 43 ARG H . . 3.930 3.389 3.089 3.653 . 0 0 "[ . 1 . 2]" 1
759 1 41 GLY HA2 1 43 ARG H . . 4.540 4.306 4.154 4.491 . 0 0 "[ . 1 . 2]" 1
760 1 41 GLY HA3 1 43 ARG H . . 4.540 3.554 3.186 3.954 . 0 0 "[ . 1 . 2]" 1
761 1 42 TYR QE 1 60 ASN QB . . 4.890 3.802 3.005 4.542 . 0 0 "[ . 1 . 2]" 1
762 1 42 TYR QE 1 61 ALA MB . . 3.960 3.285 2.452 3.887 . 0 0 "[ . 1 . 2]" 1
763 1 42 TYR QE 1 62 ASP H . . 4.010 3.438 2.705 3.858 . 0 0 "[ . 1 . 2]" 1
764 1 42 TYR QE 1 62 ASP QB . . 3.640 3.272 2.155 3.602 . 0 0 "[ . 1 . 2]" 1
765 1 43 ARG H 1 43 ARG QB . . 3.520 2.684 2.544 2.819 . 0 0 "[ . 1 . 2]" 1
766 1 43 ARG H 1 43 ARG QD . . 5.360 4.588 2.644 5.073 . 0 0 "[ . 1 . 2]" 1
767 1 43 ARG H 1 43 ARG HG2 . . 4.660 4.519 4.320 4.648 . 0 0 "[ . 1 . 2]" 1
768 1 43 ARG H 1 43 ARG HG3 . . 3.760 3.638 3.284 3.761 0.001 19 0 "[ . 1 . 2]" 1
769 1 43 ARG H 1 44 ILE H . . 4.700 4.389 4.311 4.433 . 0 0 "[ . 1 . 2]" 1
770 1 43 ARG H 1 44 ILE MG . . 4.550 4.116 3.856 4.309 . 0 0 "[ . 1 . 2]" 1
771 1 43 ARG H 1 58 TRP HE3 . . 4.610 4.423 4.120 4.601 . 0 0 "[ . 1 . 2]" 1
772 1 43 ARG HA 1 43 ARG QD . . 4.590 3.950 3.425 4.145 . 0 0 "[ . 1 . 2]" 1
773 1 43 ARG HA 1 43 ARG HG2 . . 3.980 2.603 2.348 3.584 . 0 0 "[ . 1 . 2]" 1
774 1 43 ARG HA 1 43 ARG HG3 . . 4.030 2.766 2.415 3.011 . 0 0 "[ . 1 . 2]" 1
775 1 43 ARG HA 1 44 ILE H . . 3.170 2.399 2.215 2.599 . 0 0 "[ . 1 . 2]" 1
776 1 43 ARG HA 1 59 VAL H . . 5.020 4.982 4.886 5.026 0.006 3 0 "[ . 1 . 2]" 1
777 1 43 ARG QB 1 43 ARG QD . . 3.460 2.175 2.041 2.335 . 0 0 "[ . 1 . 2]" 1
778 1 43 ARG QB 1 44 ILE H . . 3.470 2.460 2.004 2.951 . 0 0 "[ . 1 . 2]" 1
779 1 43 ARG QB 1 44 ILE MG . . 5.200 4.393 4.209 4.621 . 0 0 "[ . 1 . 2]" 1
780 1 43 ARG QB 1 58 TRP HE3 . . 3.580 2.078 1.920 2.325 . 0 0 "[ . 1 . 2]" 1
781 1 43 ARG QB 1 58 TRP HZ3 . . 4.110 3.658 3.161 3.923 . 0 0 "[ . 1 . 2]" 1
782 1 43 ARG QB 1 59 VAL H . . 4.620 4.072 3.731 4.386 . 0 0 "[ . 1 . 2]" 1
783 1 43 ARG HB2 1 58 TRP HE3 . . 4.230 2.738 2.161 3.069 . 0 0 "[ . 1 . 2]" 1
784 1 43 ARG HB2 1 58 TRP HZ3 . . 4.790 4.000 3.309 4.411 . 0 0 "[ . 1 . 2]" 1
785 1 43 ARG HB3 1 58 TRP HE3 . . 4.230 2.188 2.000 2.622 . 0 0 "[ . 1 . 2]" 1
786 1 43 ARG HB3 1 58 TRP HZ3 . . 4.790 4.278 4.008 4.730 . 0 0 "[ . 1 . 2]" 1
787 1 43 ARG QD 1 44 ILE H . . 5.240 4.526 4.021 4.914 . 0 0 "[ . 1 . 2]" 1
788 1 43 ARG QD 1 58 TRP HE3 . . 4.610 3.774 3.182 4.250 . 0 0 "[ . 1 . 2]" 1
789 1 43 ARG QD 1 60 ASN HA . . 4.660 4.457 3.848 4.669 0.009 16 0 "[ . 1 . 2]" 1
790 1 43 ARG HG2 1 44 ILE H . . 4.540 3.706 3.398 4.531 . 0 0 "[ . 1 . 2]" 1
791 1 43 ARG HG2 1 58 TRP HE3 . . 4.790 4.517 4.307 4.793 0.003 2 0 "[ . 1 . 2]" 1
792 1 43 ARG HG2 1 60 ASN HA . . 4.180 2.908 2.340 4.121 . 0 0 "[ . 1 . 2]" 1
793 1 43 ARG HG3 1 44 ILE H . . 4.720 4.562 4.151 4.717 . 0 0 "[ . 1 . 2]" 1
794 1 43 ARG HG3 1 61 ALA H . . 4.350 4.094 3.547 4.340 . 0 0 "[ . 1 . 2]" 1
795 1 44 ILE H 1 44 ILE MD . . 4.250 3.950 3.795 4.105 . 0 0 "[ . 1 . 2]" 1
796 1 44 ILE H 1 44 ILE HG12 . . 3.540 2.429 2.168 2.817 . 0 0 "[ . 1 . 2]" 1
797 1 44 ILE H 1 44 ILE HG13 . . 3.650 2.746 2.554 2.918 . 0 0 "[ . 1 . 2]" 1
798 1 44 ILE H 1 44 ILE MG . . 3.870 3.119 2.828 3.310 . 0 0 "[ . 1 . 2]" 1
799 1 44 ILE H 1 45 LYS H . . 4.900 4.381 4.276 4.486 . 0 0 "[ . 1 . 2]" 1
800 1 44 ILE H 1 58 TRP QB . . 5.340 3.436 3.114 3.998 . 0 0 "[ . 1 . 2]" 1
801 1 44 ILE H 1 58 TRP HE3 . . 4.100 3.209 2.962 3.860 . 0 0 "[ . 1 . 2]" 1
802 1 44 ILE H 1 59 VAL MG2 . . 4.190 3.302 3.071 3.499 . 0 0 "[ . 1 . 2]" 1
803 1 44 ILE H 1 61 ALA H . . 4.780 4.192 3.710 4.691 . 0 0 "[ . 1 . 2]" 1
804 1 44 ILE HA 1 44 ILE MD . . 4.420 4.166 4.145 4.181 . 0 0 "[ . 1 . 2]" 1
805 1 44 ILE HA 1 44 ILE MG . . 3.320 2.233 2.118 2.357 . 0 0 "[ . 1 . 2]" 1
806 1 44 ILE HA 1 45 LYS H . . 3.280 2.215 2.178 2.277 . 0 0 "[ . 1 . 2]" 1
807 1 44 ILE HA 1 58 TRP HZ3 . . 4.550 3.235 2.738 3.954 . 0 0 "[ . 1 . 2]" 1
808 1 44 ILE HB 1 44 ILE MD . . 3.430 2.268 2.160 2.372 . 0 0 "[ . 1 . 2]" 1
809 1 44 ILE HB 1 45 LYS H . . 3.790 2.918 2.700 3.071 . 0 0 "[ . 1 . 2]" 1
810 1 44 ILE MD 1 44 ILE MG . . 2.840 2.206 1.939 2.416 . 0 0 "[ . 1 . 2]" 1
811 1 44 ILE MD 1 46 LEU HA . . 5.050 4.821 4.620 4.997 . 0 0 "[ . 1 . 2]" 1
812 1 44 ILE MD 1 46 LEU MD1 . . 3.180 2.855 2.468 3.174 . 0 0 "[ . 1 . 2]" 1
813 1 44 ILE MD 1 46 LEU MD2 . . 2.930 2.442 1.947 2.829 . 0 0 "[ . 1 . 2]" 1
814 1 44 ILE MD 1 59 VAL MG2 . . 3.240 2.486 2.285 2.891 . 0 0 "[ . 1 . 2]" 1
815 1 44 ILE MD 1 61 ALA HA . . 3.690 3.014 2.637 3.325 . 0 0 "[ . 1 . 2]" 1
816 1 44 ILE MD 1 61 ALA MB . . 4.150 3.975 3.650 4.152 0.002 16 0 "[ . 1 . 2]" 1
817 1 44 ILE MD 1 63 ALA MB . . 4.790 4.606 4.355 4.790 0.000 15 0 "[ . 1 . 2]" 1
818 1 44 ILE MD 1 66 ILE MD . . 3.270 2.768 2.494 2.981 . 0 0 "[ . 1 . 2]" 1
819 1 44 ILE MD 1 66 ILE MG . . 4.180 3.411 2.811 3.962 . 0 0 "[ . 1 . 2]" 1
820 1 44 ILE HG12 1 59 VAL MG2 . . 4.180 2.668 2.462 2.951 . 0 0 "[ . 1 . 2]" 1
821 1 44 ILE HG12 1 61 ALA HA . . 4.700 2.709 2.317 3.081 . 0 0 "[ . 1 . 2]" 1
822 1 44 ILE HG12 1 61 ALA MB . . 4.350 3.759 3.420 4.100 . 0 0 "[ . 1 . 2]" 1
823 1 44 ILE HG13 1 45 LYS H . . 4.440 4.213 4.066 4.346 . 0 0 "[ . 1 . 2]" 1
824 1 44 ILE HG13 1 45 LYS HA . . 4.750 4.627 4.499 4.742 . 0 0 "[ . 1 . 2]" 1
825 1 44 ILE HG13 1 59 VAL H . . 4.130 3.053 2.868 3.416 . 0 0 "[ . 1 . 2]" 1
826 1 44 ILE HG13 1 59 VAL MG2 . . 2.880 2.157 1.969 2.571 . 0 0 "[ . 1 . 2]" 1
827 1 44 ILE MG 1 45 LYS H . . 3.980 3.760 3.656 3.856 . 0 0 "[ . 1 . 2]" 1
828 1 44 ILE MG 1 61 ALA HA . . 3.730 2.890 2.338 3.206 . 0 0 "[ . 1 . 2]" 1
829 1 44 ILE MG 1 61 ALA MB . . 3.560 2.806 2.405 3.094 . 0 0 "[ . 1 . 2]" 1
830 1 45 LYS H 1 45 LYS HB2 . . 3.830 2.410 2.287 2.602 . 0 0 "[ . 1 . 2]" 1
831 1 45 LYS H 1 45 LYS QB . . 3.210 2.243 2.194 2.294 . 0 0 "[ . 1 . 2]" 1
832 1 45 LYS H 1 45 LYS HB3 . . 3.830 2.710 2.549 2.841 . 0 0 "[ . 1 . 2]" 1
833 1 45 LYS H 1 45 LYS HG2 . . 4.760 4.566 4.482 4.617 . 0 0 "[ . 1 . 2]" 1
834 1 45 LYS H 1 45 LYS HG3 . . 4.710 4.351 4.244 4.490 . 0 0 "[ . 1 . 2]" 1
835 1 45 LYS H 1 46 LEU H . . 4.850 4.557 4.510 4.587 . 0 0 "[ . 1 . 2]" 1
836 1 45 LYS H 1 58 TRP HZ3 . . 4.410 3.825 3.237 4.359 . 0 0 "[ . 1 . 2]" 1
837 1 45 LYS HA 1 45 LYS HG2 . . 3.950 3.092 2.949 3.278 . 0 0 "[ . 1 . 2]" 1
838 1 45 LYS HA 1 45 LYS HG3 . . 4.100 2.343 2.244 2.475 . 0 0 "[ . 1 . 2]" 1
839 1 45 LYS HA 1 46 LEU H . . 3.260 2.171 2.151 2.188 . 0 0 "[ . 1 . 2]" 1
840 1 45 LYS HA 1 46 LEU MD2 . . 4.530 3.009 2.786 3.206 . 0 0 "[ . 1 . 2]" 1
841 1 45 LYS HA 1 58 TRP HA . . 3.650 2.656 2.520 2.818 . 0 0 "[ . 1 . 2]" 1
842 1 45 LYS HA 1 59 VAL H . . 4.340 4.184 4.064 4.290 . 0 0 "[ . 1 . 2]" 1
843 1 45 LYS HA 1 59 VAL MG2 . . 5.230 5.142 5.004 5.230 . 0 0 "[ . 1 . 2]" 1
844 1 45 LYS QB 1 45 LYS QD . . 3.260 2.097 2.058 2.136 . 0 0 "[ . 1 . 2]" 1
845 1 45 LYS QB 1 45 LYS QE . . 3.770 3.542 3.473 3.678 . 0 0 "[ . 1 . 2]" 1
846 1 45 LYS QB 1 46 LEU H . . 4.430 3.652 3.571 3.733 . 0 0 "[ . 1 . 2]" 1
847 1 45 LYS QB 1 58 TRP HZ2 . . 4.540 3.024 2.623 3.464 . 0 0 "[ . 1 . 2]" 1
848 1 45 LYS HB2 1 45 LYS HD2 . . 4.190 2.323 2.195 2.579 . 0 0 "[ . 1 . 2]" 1
849 1 45 LYS HB2 1 45 LYS HD3 . . 4.190 2.997 2.736 3.235 . 0 0 "[ . 1 . 2]" 1
850 1 45 LYS HB2 1 45 LYS HE2 . . 4.980 4.438 4.000 4.740 . 0 0 "[ . 1 . 2]" 1
851 1 45 LYS HB2 1 45 LYS HE3 . . 4.980 4.333 3.997 4.665 . 0 0 "[ . 1 . 2]" 1
852 1 45 LYS HB3 1 45 LYS HD2 . . 4.190 3.118 2.875 3.352 . 0 0 "[ . 1 . 2]" 1
853 1 45 LYS HB3 1 45 LYS HD3 . . 4.190 2.722 2.504 2.876 . 0 0 "[ . 1 . 2]" 1
854 1 45 LYS HB3 1 45 LYS HE2 . . 4.980 4.573 4.248 4.916 . 0 0 "[ . 1 . 2]" 1
855 1 45 LYS HB3 1 45 LYS HE3 . . 4.980 4.709 4.082 4.982 0.002 4 0 "[ . 1 . 2]" 1
856 1 45 LYS QD 1 56 ASP QB . . 4.240 3.987 3.763 4.241 0.001 4 0 "[ . 1 . 2]" 1
857 1 45 LYS QD 1 58 TRP HE1 . . 4.080 3.047 2.681 3.398 . 0 0 "[ . 1 . 2]" 1
858 1 45 LYS QD 1 58 TRP HZ2 . . 3.640 2.213 1.991 2.404 . 0 0 "[ . 1 . 2]" 1
859 1 45 LYS HD2 1 58 TRP HE1 . . 4.640 3.106 2.709 3.512 . 0 0 "[ . 1 . 2]" 1
860 1 45 LYS HD2 1 58 TRP HZ2 . . 4.190 2.225 1.999 2.419 . 0 0 "[ . 1 . 2]" 1
861 1 45 LYS HD3 1 58 TRP HE1 . . 4.640 4.466 4.244 4.567 . 0 0 "[ . 1 . 2]" 1
862 1 45 LYS HD3 1 58 TRP HZ2 . . 4.190 3.909 3.667 4.174 . 0 0 "[ . 1 . 2]" 1
863 1 45 LYS QE 1 45 LYS HG2 . . 3.720 2.625 2.235 3.064 . 0 0 "[ . 1 . 2]" 1
864 1 45 LYS QE 1 56 ASP QB . . 4.180 2.534 1.993 3.153 . 0 0 "[ . 1 . 2]" 1
865 1 45 LYS QE 1 58 TRP HE1 . . 3.790 2.541 1.967 3.770 . 0 0 "[ . 1 . 2]" 1
866 1 45 LYS QE 1 58 TRP HZ2 . . 4.340 3.516 2.637 4.226 . 0 0 "[ . 1 . 2]" 1
867 1 45 LYS HE2 1 58 TRP HE1 . . 4.570 3.435 2.011 4.346 . 0 0 "[ . 1 . 2]" 1
868 1 45 LYS HE3 1 58 TRP HE1 . . 4.570 3.025 1.974 4.561 . 0 0 "[ . 1 . 2]" 1
869 1 45 LYS HG2 1 46 LEU H . . 4.180 3.081 2.930 3.331 . 0 0 "[ . 1 . 2]" 1
870 1 45 LYS HG2 1 56 ASP HB2 . . 4.480 3.887 2.777 4.474 . 0 0 "[ . 1 . 2]" 1
871 1 45 LYS HG2 1 56 ASP HB3 . . 4.480 3.454 2.728 4.371 . 0 0 "[ . 1 . 2]" 1
872 1 45 LYS HG2 1 58 TRP HE1 . . 4.900 4.247 3.881 4.543 . 0 0 "[ . 1 . 2]" 1
873 1 45 LYS HG3 1 46 LEU H . . 4.020 3.075 2.776 3.404 . 0 0 "[ . 1 . 2]" 1
874 1 45 LYS HG3 1 56 ASP QB . . 4.560 3.194 2.684 3.851 . 0 0 "[ . 1 . 2]" 1
875 1 45 LYS HG3 1 57 PHE H . . 4.980 4.685 4.206 4.931 . 0 0 "[ . 1 . 2]" 1
876 1 45 LYS HG3 1 58 TRP HE1 . . 4.500 2.645 2.299 2.949 . 0 0 "[ . 1 . 2]" 1
877 1 46 LEU H 1 46 LEU QB . . 3.270 2.386 2.327 2.468 . 0 0 "[ . 1 . 2]" 1
878 1 46 LEU H 1 46 LEU MD2 . . 4.100 2.453 2.160 2.707 . 0 0 "[ . 1 . 2]" 1
879 1 46 LEU H 1 46 LEU HG . . 4.450 4.283 4.042 4.440 . 0 0 "[ . 1 . 2]" 1
880 1 46 LEU H 1 47 HIS H . . 4.930 4.295 4.111 4.442 . 0 0 "[ . 1 . 2]" 1
881 1 46 LEU H 1 56 ASP HA . . 4.880 4.737 4.393 4.878 . 0 0 "[ . 1 . 2]" 1
882 1 46 LEU H 1 57 PHE H . . 3.750 3.272 2.968 3.466 . 0 0 "[ . 1 . 2]" 1
883 1 46 LEU H 1 57 PHE QD . . 4.850 4.339 3.778 4.847 . 0 0 "[ . 1 . 2]" 1
884 1 46 LEU H 1 58 TRP HA . . 3.930 3.088 2.895 3.254 . 0 0 "[ . 1 . 2]" 1
885 1 46 LEU H 1 59 VAL H . . 4.600 4.373 4.110 4.597 . 0 0 "[ . 1 . 2]" 1
886 1 46 LEU H 1 59 VAL MG2 . . 5.180 4.963 4.765 5.184 0.004 4 0 "[ . 1 . 2]" 1
887 1 46 LEU HA 1 46 LEU MD1 . . 3.220 2.111 1.973 2.353 . 0 0 "[ . 1 . 2]" 1
888 1 46 LEU HA 1 46 LEU MD2 . . 4.150 2.587 2.363 2.873 . 0 0 "[ . 1 . 2]" 1
889 1 46 LEU HA 1 47 HIS H . . 3.140 2.148 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
890 1 46 LEU QB 1 47 HIS H . . 3.970 3.368 3.059 3.609 . 0 0 "[ . 1 . 2]" 1
891 1 46 LEU QB 1 57 PHE H . . 3.800 3.059 2.714 3.330 . 0 0 "[ . 1 . 2]" 1
892 1 46 LEU MD1 1 47 HIS H . . 3.530 3.403 3.188 3.534 0.004 3 0 "[ . 1 . 2]" 1
893 1 46 LEU MD1 1 66 ILE MD . . 4.300 4.137 3.902 4.289 . 0 0 "[ . 1 . 2]" 1
894 1 46 LEU MD2 1 57 PHE QD . . 4.560 3.744 3.111 4.524 . 0 0 "[ . 1 . 2]" 1
895 1 46 LEU MD2 1 57 PHE QE . . 4.310 3.767 3.275 4.279 . 0 0 "[ . 1 . 2]" 1
896 1 46 LEU MD2 1 59 VAL H . . 4.100 2.056 1.856 2.343 . 0 0 "[ . 1 . 2]" 1
897 1 46 LEU MD2 1 59 VAL MG1 . . 3.370 2.288 1.907 2.884 . 0 0 "[ . 1 . 2]" 1
898 1 46 LEU MD2 1 59 VAL MG2 . . 2.840 1.774 1.652 1.887 . 0 0 "[ . 1 . 2]" 1
899 1 46 LEU HG 1 59 VAL HA . . 5.500 5.496 5.459 5.508 0.008 16 0 "[ . 1 . 2]" 1
900 1 47 HIS H 1 47 HIS HB2 . . 3.560 3.161 2.912 3.373 . 0 0 "[ . 1 . 2]" 1
901 1 47 HIS H 1 47 HIS HB3 . . 3.530 2.403 2.298 2.479 . 0 0 "[ . 1 . 2]" 1
902 1 47 HIS H 1 47 HIS HD2 . . 5.030 4.620 4.315 4.952 . 0 0 "[ . 1 . 2]" 1
903 1 47 HIS H 1 48 PHE H . . 5.020 4.461 4.244 4.559 . 0 0 "[ . 1 . 2]" 1
904 1 47 HIS HA 1 48 PHE H . . 3.290 2.206 2.139 2.382 . 0 0 "[ . 1 . 2]" 1
905 1 47 HIS HD2 1 49 ASP HA . . 3.860 3.306 2.851 3.836 . 0 0 "[ . 1 . 2]" 1
906 1 48 PHE H 1 48 PHE HB2 . . 3.900 2.299 2.181 2.435 . 0 0 "[ . 1 . 2]" 1
907 1 48 PHE H 1 48 PHE QB . . 3.340 2.272 2.160 2.401 . 0 0 "[ . 1 . 2]" 1
908 1 48 PHE H 1 48 PHE HB3 . . 3.900 3.559 3.489 3.652 . 0 0 "[ . 1 . 2]" 1
909 1 48 PHE H 1 48 PHE QD . . 3.650 2.867 2.519 3.268 . 0 0 "[ . 1 . 2]" 1
910 1 48 PHE H 1 51 TYR QB . . 4.560 3.979 3.520 4.407 . 0 0 "[ . 1 . 2]" 1
911 1 48 PHE H 1 51 TYR QD . . 5.500 5.373 5.044 5.491 . 0 0 "[ . 1 . 2]" 1
912 1 48 PHE QB 1 51 TYR H . . 3.880 3.057 2.513 3.376 . 0 0 "[ . 1 . 2]" 1
913 1 48 PHE QB 1 51 TYR QB . . 3.780 1.925 1.782 2.139 . 0 0 "[ . 1 . 2]" 1
914 1 48 PHE QB 1 51 TYR QD . . 3.360 2.257 1.981 2.835 . 0 0 "[ . 1 . 2]" 1
915 1 48 PHE HB2 1 51 TYR H . . 4.500 3.923 3.361 4.321 . 0 0 "[ . 1 . 2]" 1
916 1 48 PHE HB2 1 51 TYR QB . . 4.480 2.132 1.972 2.483 . 0 0 "[ . 1 . 2]" 1
917 1 48 PHE HB2 1 51 TYR QD . . 3.890 3.533 3.029 3.800 . 0 0 "[ . 1 . 2]" 1
918 1 48 PHE HB3 1 51 TYR H . . 4.500 3.204 2.557 3.565 . 0 0 "[ . 1 . 2]" 1
919 1 48 PHE HB3 1 51 TYR QB . . 4.480 2.253 2.010 2.887 . 0 0 "[ . 1 . 2]" 1
920 1 48 PHE HB3 1 51 TYR QD . . 3.890 2.289 1.998 2.942 . 0 0 "[ . 1 . 2]" 1
921 1 48 PHE QD 1 51 TYR H . . 5.390 5.013 4.043 5.365 . 0 0 "[ . 1 . 2]" 1
922 1 48 PHE QD 1 51 TYR QB . . 5.110 3.575 2.824 3.757 . 0 0 "[ . 1 . 2]" 1
923 1 48 PHE QD 1 51 TYR QD . . 4.170 3.574 2.338 4.060 . 0 0 "[ . 1 . 2]" 1
924 1 48 PHE QD 1 55 TYR QB . . 4.080 3.211 2.388 3.806 . 0 0 "[ . 1 . 2]" 1
925 1 48 PHE QE 1 55 TYR QB . . 4.250 3.805 2.889 4.221 . 0 0 "[ . 1 . 2]" 1
926 1 48 PHE QE 1 57 PHE QE . . 4.190 2.255 2.011 2.725 . 0 0 "[ . 1 . 2]" 1
927 1 48 PHE HZ 1 57 PHE QE . . 4.340 2.445 2.001 3.199 . 0 0 "[ . 1 . 2]" 1
928 1 48 PHE HZ 1 57 PHE HZ . . 4.830 3.440 2.539 3.892 . 0 0 "[ . 1 . 2]" 1
929 1 49 ASP HA 1 50 GLY HA2 . . 4.560 4.389 4.311 4.554 . 0 0 "[ . 1 . 2]" 1
930 1 49 ASP QB 1 82 PRO HB2 . . 4.360 3.655 3.083 4.269 . 0 0 "[ . 1 . 2]" 1
931 1 49 ASP QB 1 82 PRO HB3 . . 3.960 2.470 1.993 3.846 . 0 0 "[ . 1 . 2]" 1
932 1 49 ASP HB2 1 82 PRO HB3 . . 4.610 3.896 2.187 4.476 . 0 0 "[ . 1 . 2]" 1
933 1 49 ASP HB3 1 82 PRO HB3 . . 4.610 2.640 2.001 4.536 . 0 0 "[ . 1 . 2]" 1
934 1 50 GLY H 1 51 TYR H . . 4.030 3.204 2.365 3.661 . 0 0 "[ . 1 . 2]" 1
935 1 50 GLY HA2 1 83 LYS QG . . 4.310 3.411 2.527 3.986 . 0 0 "[ . 1 . 2]" 1
936 1 50 GLY HA3 1 83 LYS H . . 3.990 3.279 2.184 3.854 . 0 0 "[ . 1 . 2]" 1
937 1 50 GLY HA3 1 83 LYS QB . . 4.320 3.786 2.684 4.320 0.000 14 0 "[ . 1 . 2]" 1
938 1 50 GLY HA3 1 83 LYS QG . . 4.180 2.418 1.873 3.205 . 0 0 "[ . 1 . 2]" 1
939 1 51 TYR H 1 51 TYR QB . . 3.200 2.399 2.276 2.695 . 0 0 "[ . 1 . 2]" 1
940 1 51 TYR H 1 51 TYR QD . . 3.400 2.206 1.908 2.662 . 0 0 "[ . 1 . 2]" 1
941 1 51 TYR H 1 51 TYR QE . . 4.570 4.229 3.815 4.516 . 0 0 "[ . 1 . 2]" 1
942 1 51 TYR H 1 83 LYS QB . . 5.080 3.997 2.535 4.848 . 0 0 "[ . 1 . 2]" 1
943 1 51 TYR H 1 83 LYS QG . . 5.450 3.711 2.470 5.101 . 0 0 "[ . 1 . 2]" 1
944 1 51 TYR QB 1 52 SER H . . 3.510 2.310 1.909 2.996 . 0 0 "[ . 1 . 2]" 1
945 1 51 TYR QB 1 55 TYR QD . . 5.320 2.961 2.316 3.727 . 0 0 "[ . 1 . 2]" 1
946 1 51 TYR QB 1 55 TYR QE . . 4.810 4.229 3.579 4.807 . 0 0 "[ . 1 . 2]" 1
947 1 51 TYR QD 1 52 SER H . . 4.460 3.555 3.209 4.233 . 0 0 "[ . 1 . 2]" 1
948 1 51 TYR QD 1 55 TYR QD . . 4.810 4.086 3.163 4.809 . 0 0 "[ . 1 . 2]" 1
949 1 51 TYR QD 1 83 LYS H . . 4.520 3.676 3.045 4.479 . 0 0 "[ . 1 . 2]" 1
950 1 51 TYR QD 1 83 LYS QB . . 4.220 3.516 2.602 4.071 . 0 0 "[ . 1 . 2]" 1
951 1 51 TYR QE 1 82 PRO HA . . 4.040 2.933 2.058 3.870 . 0 0 "[ . 1 . 2]" 1
952 1 51 TYR QE 1 82 PRO HB3 . . 4.980 4.488 3.542 4.983 0.003 5 0 "[ . 1 . 2]" 1
953 1 51 TYR QE 1 83 LYS H . . 4.080 3.124 2.574 3.843 . 0 0 "[ . 1 . 2]" 1
954 1 51 TYR QE 1 83 LYS HA . . 4.660 3.874 3.385 4.362 . 0 0 "[ . 1 . 2]" 1
955 1 51 TYR QE 1 83 LYS QB . . 3.540 3.139 2.466 3.545 0.005 10 0 "[ . 1 . 2]" 1
956 1 52 SER H 1 52 SER HB2 . . 3.760 2.488 2.180 3.672 . 0 0 "[ . 1 . 2]" 1
957 1 52 SER H 1 52 SER HB3 . . 3.760 3.103 2.500 3.643 . 0 0 "[ . 1 . 2]" 1
958 1 52 SER H 1 55 TYR QD . . 4.420 2.876 1.943 4.172 . 0 0 "[ . 1 . 2]" 1
959 1 52 SER H 1 55 TYR QE . . 4.530 3.387 2.721 4.060 . 0 0 "[ . 1 . 2]" 1
960 1 52 SER QB 1 55 TYR H . . 4.650 3.503 3.098 4.261 . 0 0 "[ . 1 . 2]" 1
961 1 52 SER QB 1 55 TYR QD . . 3.820 2.739 1.990 3.485 . 0 0 "[ . 1 . 2]" 1
962 1 52 SER QB 1 55 TYR QE . . 3.700 2.574 1.990 3.376 . 0 0 "[ . 1 . 2]" 1
963 1 52 SER HB2 1 55 TYR QD . . 4.410 3.402 2.027 4.406 . 0 0 "[ . 1 . 2]" 1
964 1 52 SER HB2 1 55 TYR QE . . 4.480 2.988 2.008 4.150 . 0 0 "[ . 1 . 2]" 1
965 1 52 SER HB3 1 55 TYR QD . . 4.410 3.319 2.014 4.384 . 0 0 "[ . 1 . 2]" 1
966 1 52 SER HB3 1 55 TYR QE . . 4.480 3.279 2.172 4.232 . 0 0 "[ . 1 . 2]" 1
967 1 54 CYS H 1 55 TYR H . . 4.100 2.656 2.137 2.901 . 0 0 "[ . 1 . 2]" 1
968 1 54 CYS H 1 56 ASP H . . 5.080 4.485 4.136 4.714 . 0 0 "[ . 1 . 2]" 1
969 1 54 CYS HA 1 56 ASP H . . 4.820 3.574 3.491 3.689 . 0 0 "[ . 1 . 2]" 1
970 1 54 CYS QB 1 55 TYR H . . 3.790 2.815 2.593 3.552 . 0 0 "[ . 1 . 2]" 1
971 1 54 CYS HB2 1 55 TYR H . . 4.320 3.561 2.734 4.079 . 0 0 "[ . 1 . 2]" 1
972 1 54 CYS HB3 1 55 TYR H . . 4.320 3.173 2.640 4.070 . 0 0 "[ . 1 . 2]" 1
973 1 55 TYR H 1 55 TYR HB2 . . 3.680 2.590 2.367 2.715 . 0 0 "[ . 1 . 2]" 1
974 1 55 TYR H 1 55 TYR QB . . 3.170 2.538 2.337 2.649 . 0 0 "[ . 1 . 2]" 1
975 1 55 TYR H 1 55 TYR HB3 . . 3.680 3.651 3.604 3.689 0.009 5 0 "[ . 1 . 2]" 1
976 1 55 TYR H 1 55 TYR QD . . 3.590 2.662 2.089 3.366 . 0 0 "[ . 1 . 2]" 1
977 1 55 TYR H 1 55 TYR QE . . 4.990 4.345 3.978 4.954 . 0 0 "[ . 1 . 2]" 1
978 1 55 TYR H 1 56 ASP H . . 3.240 3.018 2.888 3.128 . 0 0 "[ . 1 . 2]" 1
979 1 56 ASP H 1 56 ASP HB2 . . 4.170 2.803 2.229 3.644 . 0 0 "[ . 1 . 2]" 1
980 1 56 ASP H 1 56 ASP QB . . 3.490 2.483 2.206 2.914 . 0 0 "[ . 1 . 2]" 1
981 1 56 ASP H 1 56 ASP HB3 . . 4.170 3.302 2.641 3.695 . 0 0 "[ . 1 . 2]" 1
982 1 56 ASP H 1 57 PHE H . . 4.830 4.548 4.471 4.600 . 0 0 "[ . 1 . 2]" 1
983 1 56 ASP HA 1 57 PHE H . . 2.990 2.203 2.156 2.283 . 0 0 "[ . 1 . 2]" 1
984 1 56 ASP QB 1 57 PHE H . . 3.550 2.996 2.716 3.540 . 0 0 "[ . 1 . 2]" 1
985 1 56 ASP HB2 1 57 PHE H . . 4.370 3.777 2.972 4.283 . 0 0 "[ . 1 . 2]" 1
986 1 56 ASP HB3 1 57 PHE H . . 4.370 3.403 2.763 4.176 . 0 0 "[ . 1 . 2]" 1
987 1 57 PHE H 1 57 PHE HB3 . . 3.980 3.221 3.033 3.375 . 0 0 "[ . 1 . 2]" 1
988 1 57 PHE H 1 57 PHE QD . . 3.400 2.664 1.920 3.261 . 0 0 "[ . 1 . 2]" 1
989 1 57 PHE H 1 57 PHE QE . . 4.460 4.102 3.782 4.404 . 0 0 "[ . 1 . 2]" 1
990 1 57 PHE H 1 58 TRP H . . 4.730 4.422 4.282 4.474 . 0 0 "[ . 1 . 2]" 1
991 1 57 PHE HA 1 57 PHE QD . . 3.970 3.692 3.657 3.727 . 0 0 "[ . 1 . 2]" 1
992 1 57 PHE HA 1 58 TRP H . . 3.040 2.329 2.150 2.475 . 0 0 "[ . 1 . 2]" 1
993 1 57 PHE HA 1 58 TRP HD1 . . 4.480 2.803 2.505 3.243 . 0 0 "[ . 1 . 2]" 1
994 1 57 PHE HB2 1 58 TRP H . . 3.530 2.653 2.290 3.302 . 0 0 "[ . 1 . 2]" 1
995 1 57 PHE HB2 1 59 VAL MG1 . . 4.400 4.057 3.709 4.236 . 0 0 "[ . 1 . 2]" 1
996 1 57 PHE HB3 1 58 TRP H . . 4.340 3.876 3.632 4.259 . 0 0 "[ . 1 . 2]" 1
997 1 57 PHE QD 1 58 TRP H . . 4.600 3.633 3.147 4.229 . 0 0 "[ . 1 . 2]" 1
998 1 57 PHE QD 1 59 VAL MG1 . . 3.360 2.246 1.996 2.515 . 0 0 "[ . 1 . 2]" 1
999 1 57 PHE QD 1 59 VAL MG2 . . 4.820 4.470 4.070 4.819 . 0 0 "[ . 1 . 2]" 1
1000 1 57 PHE QE 1 59 VAL MG1 . . 3.260 1.963 1.837 2.294 . 0 0 "[ . 1 . 2]" 1
1001 1 57 PHE QE 1 59 VAL MG2 . . 4.090 3.866 3.380 4.093 0.003 16 0 "[ . 1 . 2]" 1
1002 1 57 PHE HZ 1 59 VAL MG1 . . 4.510 3.663 3.169 4.298 . 0 0 "[ . 1 . 2]" 1
1003 1 58 TRP H 1 58 TRP HB2 . . 3.750 2.479 2.356 2.577 . 0 0 "[ . 1 . 2]" 1
1004 1 58 TRP H 1 58 TRP QB . . 3.290 2.442 2.327 2.533 . 0 0 "[ . 1 . 2]" 1
1005 1 58 TRP H 1 58 TRP HB3 . . 3.750 3.676 3.603 3.725 . 0 0 "[ . 1 . 2]" 1
1006 1 58 TRP H 1 58 TRP HD1 . . 3.390 2.470 2.222 2.607 . 0 0 "[ . 1 . 2]" 1
1007 1 58 TRP H 1 58 TRP HE1 . . 5.150 5.018 4.770 5.147 . 0 0 "[ . 1 . 2]" 1
1008 1 58 TRP H 1 59 VAL H . . 4.530 4.426 4.346 4.485 . 0 0 "[ . 1 . 2]" 1
1009 1 58 TRP HA 1 58 TRP HE3 . . 4.340 4.051 3.831 4.233 . 0 0 "[ . 1 . 2]" 1
1010 1 58 TRP HA 1 59 VAL H . . 3.020 2.157 2.140 2.199 . 0 0 "[ . 1 . 2]" 1
1011 1 58 TRP HA 1 59 VAL MG1 . . 4.440 3.578 3.410 3.763 . 0 0 "[ . 1 . 2]" 1
1012 1 58 TRP HA 1 59 VAL MG2 . . 4.610 3.912 3.845 4.004 . 0 0 "[ . 1 . 2]" 1
1013 1 58 TRP QB 1 58 TRP HD1 . . 3.400 2.867 2.791 2.933 . 0 0 "[ . 1 . 2]" 1
1014 1 58 TRP QB 1 58 TRP HE1 . . 4.600 4.508 4.488 4.524 . 0 0 "[ . 1 . 2]" 1
1015 1 58 TRP QB 1 58 TRP HE3 . . 3.700 2.380 2.375 2.396 . 0 0 "[ . 1 . 2]" 1
1016 1 58 TRP QB 1 59 VAL H . . 3.640 3.188 2.960 3.417 . 0 0 "[ . 1 . 2]" 1
1017 1 58 TRP HB2 1 59 VAL H . . 4.410 4.243 4.103 4.398 . 0 0 "[ . 1 . 2]" 1
1018 1 58 TRP HB3 1 59 VAL H . . 4.410 3.296 3.036 3.565 . 0 0 "[ . 1 . 2]" 1
1019 1 58 TRP HE3 1 59 VAL H . . 4.880 4.728 4.352 4.866 . 0 0 "[ . 1 . 2]" 1
1020 1 59 VAL H 1 59 VAL MG1 . . 3.990 2.582 2.360 2.714 . 0 0 "[ . 1 . 2]" 1
1021 1 59 VAL H 1 59 VAL MG2 . . 3.330 2.095 2.027 2.165 . 0 0 "[ . 1 . 2]" 1
1022 1 59 VAL H 1 60 ASN H . . 4.780 4.488 4.451 4.522 . 0 0 "[ . 1 . 2]" 1
1023 1 59 VAL HA 1 60 ASN H . . 3.110 2.524 2.414 2.589 . 0 0 "[ . 1 . 2]" 1
1024 1 59 VAL HB 1 60 ASN H . . 3.180 2.184 2.099 2.405 . 0 0 "[ . 1 . 2]" 1
1025 1 59 VAL HB 1 63 ALA H . . 5.500 5.202 5.020 5.361 . 0 0 "[ . 1 . 2]" 1
1026 1 59 VAL HB 1 63 ALA MB . . 3.220 2.928 2.758 3.073 . 0 0 "[ . 1 . 2]" 1
1027 1 59 VAL HB 1 66 ILE MD . . 4.730 4.405 3.930 4.703 . 0 0 "[ . 1 . 2]" 1
1028 1 59 VAL MG1 1 60 ASN H . . 3.910 3.693 3.604 3.810 . 0 0 "[ . 1 . 2]" 1
1029 1 59 VAL MG1 1 63 ALA MB . . 4.090 3.942 3.758 4.073 . 0 0 "[ . 1 . 2]" 1
1030 1 59 VAL MG2 1 60 ASN H . . 3.740 3.032 2.766 3.229 . 0 0 "[ . 1 . 2]" 1
1031 1 59 VAL MG2 1 63 ALA H . . 4.370 4.054 3.905 4.180 . 0 0 "[ . 1 . 2]" 1
1032 1 59 VAL MG2 1 63 ALA MB . . 2.940 2.805 2.636 2.939 . 0 0 "[ . 1 . 2]" 1
1033 1 60 ASN H 1 60 ASN HB2 . . 3.620 2.620 2.469 2.789 . 0 0 "[ . 1 . 2]" 1
1034 1 60 ASN H 1 60 ASN QB . . 3.110 2.559 2.429 2.695 . 0 0 "[ . 1 . 2]" 1
1035 1 60 ASN H 1 60 ASN HB3 . . 3.620 3.602 3.566 3.622 0.002 17 0 "[ . 1 . 2]" 1
1036 1 60 ASN H 1 61 ALA H . . 4.610 4.514 4.473 4.586 . 0 0 "[ . 1 . 2]" 1
1037 1 60 ASN H 1 63 ALA H . . 4.610 4.545 4.432 4.613 0.003 6 0 "[ . 1 . 2]" 1
1038 1 60 ASN H 1 63 ALA MB . . 3.730 2.591 2.393 2.770 . 0 0 "[ . 1 . 2]" 1
1039 1 60 ASN HA 1 61 ALA H . . 3.160 2.152 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
1040 1 60 ASN HA 1 61 ALA MB . . 4.100 3.953 3.921 4.015 . 0 0 "[ . 1 . 2]" 1
1041 1 60 ASN QB 1 61 ALA H . . 3.460 3.213 2.959 3.344 . 0 0 "[ . 1 . 2]" 1
1042 1 60 ASN QB 1 61 ALA MB . . 5.340 4.250 4.145 4.316 . 0 0 "[ . 1 . 2]" 1
1043 1 60 ASN QB 1 62 ASP H . . 3.570 2.796 2.567 2.988 . 0 0 "[ . 1 . 2]" 1
1044 1 60 ASN QB 1 63 ALA H . . 3.590 3.031 2.827 3.228 . 0 0 "[ . 1 . 2]" 1
1045 1 60 ASN QB 1 63 ALA HA . . 4.520 2.715 2.494 2.962 . 0 0 "[ . 1 . 2]" 1
1046 1 60 ASN HB2 1 60 ASN HD22 . . 4.030 3.676 3.434 4.030 0.000 5 0 "[ . 1 . 2]" 1
1047 1 60 ASN HB2 1 61 ALA H . . 4.200 4.129 3.970 4.199 . 0 0 "[ . 1 . 2]" 1
1048 1 60 ASN HB2 1 62 ASP H . . 4.240 3.469 3.275 3.723 . 0 0 "[ . 1 . 2]" 1
1049 1 60 ASN HB2 1 63 ALA H . . 4.240 3.130 2.881 3.382 . 0 0 "[ . 1 . 2]" 1
1050 1 60 ASN HB2 1 63 ALA MB . . 4.060 2.093 1.945 2.310 . 0 0 "[ . 1 . 2]" 1
1051 1 60 ASN HB3 1 60 ASN HD22 . . 4.030 3.696 3.435 4.015 . 0 0 "[ . 1 . 2]" 1
1052 1 60 ASN HB3 1 61 ALA H . . 4.200 3.353 3.040 3.537 . 0 0 "[ . 1 . 2]" 1
1053 1 60 ASN HB3 1 62 ASP H . . 4.240 2.959 2.651 3.205 . 0 0 "[ . 1 . 2]" 1
1054 1 60 ASN HB3 1 63 ALA H . . 4.240 4.076 3.813 4.239 . 0 0 "[ . 1 . 2]" 1
1055 1 60 ASN HB3 1 63 ALA MB . . 4.060 3.607 3.418 3.797 . 0 0 "[ . 1 . 2]" 1
1056 1 61 ALA H 1 61 ALA MB . . 3.150 2.094 2.023 2.239 . 0 0 "[ . 1 . 2]" 1
1057 1 61 ALA H 1 62 ASP H . . 3.810 2.853 2.650 2.960 . 0 0 "[ . 1 . 2]" 1
1058 1 61 ALA H 1 63 ALA H . . 4.700 4.558 4.345 4.700 . 0 0 "[ . 1 . 2]" 1
1059 1 61 ALA HA 1 63 ALA H . . 4.220 4.041 3.824 4.198 . 0 0 "[ . 1 . 2]" 1
1060 1 61 ALA HA 1 66 ILE MD . . 4.040 3.840 3.545 4.001 . 0 0 "[ . 1 . 2]" 1
1061 1 61 ALA MB 1 62 ASP H . . 3.760 2.793 2.618 2.960 . 0 0 "[ . 1 . 2]" 1
1062 1 61 ALA MB 1 62 ASP HA . . 4.010 3.991 3.912 4.043 0.033 6 0 "[ . 1 . 2]" 1
1063 1 61 ALA MB 1 62 ASP QB . . 5.340 3.639 3.365 4.032 . 0 0 "[ . 1 . 2]" 1
1064 1 62 ASP H 1 62 ASP QB . . 3.700 2.550 2.388 2.898 . 0 0 "[ . 1 . 2]" 1
1065 1 62 ASP H 1 63 ALA H . . 3.170 2.887 2.648 2.998 . 0 0 "[ . 1 . 2]" 1
1066 1 62 ASP H 1 63 ALA MB . . 4.210 4.090 3.981 4.206 . 0 0 "[ . 1 . 2]" 1
1067 1 63 ALA H 1 63 ALA MB . . 2.840 2.153 2.031 2.262 . 0 0 "[ . 1 . 2]" 1
1068 1 63 ALA H 1 64 LEU H . . 4.840 4.612 4.586 4.629 . 0 0 "[ . 1 . 2]" 1
1069 1 63 ALA H 1 66 ILE MD . . 3.760 2.426 2.061 2.742 . 0 0 "[ . 1 . 2]" 1
1070 1 63 ALA H 1 66 ILE HG12 . . 5.140 3.507 3.175 3.790 . 0 0 "[ . 1 . 2]" 1
1071 1 63 ALA HA 1 64 LEU H . . 2.920 2.310 2.196 2.453 . 0 0 "[ . 1 . 2]" 1
1072 1 63 ALA HA 1 64 LEU MD2 . . 4.900 4.330 3.997 4.668 . 0 0 "[ . 1 . 2]" 1
1073 1 63 ALA HA 1 64 LEU HG . . 4.210 3.581 3.422 3.827 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ALA HA 1 65 ASP H . . 4.810 4.195 3.880 4.506 . 0 0 "[ . 1 . 2]" 1
1075 1 63 ALA HA 1 66 ILE MD . . 4.680 4.405 4.089 4.636 . 0 0 "[ . 1 . 2]" 1
1076 1 63 ALA HA 1 66 ILE HG12 . . 5.270 4.312 4.043 4.551 . 0 0 "[ . 1 . 2]" 1
1077 1 63 ALA MB 1 64 LEU H . . 3.020 2.668 2.315 2.936 . 0 0 "[ . 1 . 2]" 1
1078 1 63 ALA MB 1 65 ASP H . . 4.160 2.978 2.508 3.416 . 0 0 "[ . 1 . 2]" 1
1079 1 63 ALA MB 1 66 ILE H . . 4.060 2.664 2.409 3.067 . 0 0 "[ . 1 . 2]" 1
1080 1 63 ALA MB 1 66 ILE MD . . 3.270 2.475 1.993 2.871 . 0 0 "[ . 1 . 2]" 1
1081 1 63 ALA MB 1 66 ILE HG12 . . 3.190 2.124 1.980 2.634 . 0 0 "[ . 1 . 2]" 1
1082 1 63 ALA MB 1 66 ILE MG . . 3.290 2.398 2.130 2.782 . 0 0 "[ . 1 . 2]" 1
1083 1 64 LEU H 1 64 LEU HB2 . . 3.700 2.552 2.434 2.657 . 0 0 "[ . 1 . 2]" 1
1084 1 64 LEU H 1 64 LEU HB3 . . 3.700 3.646 3.605 3.697 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU H 1 64 LEU MD1 . . 3.720 3.580 3.418 3.718 . 0 0 "[ . 1 . 2]" 1
1086 1 64 LEU H 1 64 LEU MD2 . . 3.650 3.526 3.343 3.650 . 0 0 "[ . 1 . 2]" 1
1087 1 64 LEU H 1 64 LEU HG . . 3.300 2.374 2.162 2.547 . 0 0 "[ . 1 . 2]" 1
1088 1 64 LEU H 1 65 ASP H . . 3.480 2.295 2.123 2.539 . 0 0 "[ . 1 . 2]" 1
1089 1 64 LEU H 1 66 ILE H . . 4.820 4.071 3.705 4.306 . 0 0 "[ . 1 . 2]" 1
1090 1 64 LEU HA 1 64 LEU MD1 . . 4.050 3.930 3.888 3.960 . 0 0 "[ . 1 . 2]" 1
1091 1 64 LEU HA 1 64 LEU MD2 . . 3.130 2.200 2.006 2.389 . 0 0 "[ . 1 . 2]" 1
1092 1 64 LEU HA 1 64 LEU HG . . 3.790 3.127 3.011 3.260 . 0 0 "[ . 1 . 2]" 1
1093 1 64 LEU HA 1 66 ILE H . . 4.490 4.197 3.454 4.461 . 0 0 "[ . 1 . 2]" 1
1094 1 64 LEU HA 1 112 GLN HE21 . . 4.350 3.472 2.250 4.320 . 0 0 "[ . 1 . 2]" 1
1095 1 64 LEU HA 1 112 GLN QE . . 3.770 2.963 1.896 3.739 . 0 0 "[ . 1 . 2]" 1
1096 1 64 LEU HA 1 112 GLN HE22 . . 4.350 3.465 1.906 4.325 . 0 0 "[ . 1 . 2]" 1
1097 1 64 LEU QB 1 64 LEU MD1 . . 2.620 2.089 2.015 2.100 . 0 0 "[ . 1 . 2]" 1
1098 1 64 LEU QB 1 64 LEU MD2 . . 2.870 2.228 2.121 2.325 . 0 0 "[ . 1 . 2]" 1
1099 1 64 LEU HB2 1 64 LEU MD1 . . 3.280 2.276 2.127 2.358 . 0 0 "[ . 1 . 2]" 1
1100 1 64 LEU HB2 1 65 ASP H . . 4.430 2.682 2.343 3.075 . 0 0 "[ . 1 . 2]" 1
1101 1 64 LEU HB3 1 64 LEU MD1 . . 3.280 2.439 2.339 2.531 . 0 0 "[ . 1 . 2]" 1
1102 1 64 LEU HB3 1 65 ASP H . . 4.430 3.811 3.583 4.138 . 0 0 "[ . 1 . 2]" 1
1103 1 64 LEU MD2 1 65 ASP H . . 5.240 4.700 4.604 4.804 . 0 0 "[ . 1 . 2]" 1
1104 1 64 LEU MD2 1 111 ASN HB2 . . 4.370 3.729 1.978 4.315 . 0 0 "[ . 1 . 2]" 1
1105 1 64 LEU MD2 1 111 ASN HB3 . . 4.370 3.667 2.171 4.372 0.002 15 0 "[ . 1 . 2]" 1
1106 1 64 LEU MD2 1 112 GLN HA . . 4.340 3.060 1.932 4.195 . 0 0 "[ . 1 . 2]" 1
1107 1 64 LEU MD2 1 112 GLN HB2 . . 4.650 3.750 2.599 4.593 . 0 0 "[ . 1 . 2]" 1
1108 1 64 LEU MD2 1 112 GLN QB . . 3.950 2.916 1.916 3.948 . 0 0 "[ . 1 . 2]" 1
1109 1 64 LEU MD2 1 112 GLN HB3 . . 4.650 3.105 1.951 4.403 . 0 0 "[ . 1 . 2]" 1
1110 1 64 LEU MD2 1 112 GLN QE . . 4.230 2.899 1.746 4.172 . 0 0 "[ . 1 . 2]" 1
1111 1 64 LEU MD2 1 112 GLN QG . . 4.370 3.086 1.944 4.088 . 0 0 "[ . 1 . 2]" 1
1112 1 64 LEU HG 1 65 ASP H . . 4.630 4.191 4.034 4.378 . 0 0 "[ . 1 . 2]" 1
1113 1 65 ASP H 1 65 ASP QB . . 3.410 2.721 2.562 2.843 . 0 0 "[ . 1 . 2]" 1
1114 1 65 ASP H 1 66 ILE H . . 3.520 2.818 2.615 3.093 . 0 0 "[ . 1 . 2]" 1
1115 1 65 ASP H 1 66 ILE HG12 . . 5.500 4.153 3.829 4.467 . 0 0 "[ . 1 . 2]" 1
1116 1 65 ASP QB 1 66 ILE H . . 4.210 3.058 2.497 3.319 . 0 0 "[ . 1 . 2]" 1
1117 1 65 ASP QB 1 66 ILE HA . . 5.340 3.995 3.782 4.162 . 0 0 "[ . 1 . 2]" 1
1118 1 65 ASP QB 1 66 ILE MG . . 4.760 3.471 2.997 3.859 . 0 0 "[ . 1 . 2]" 1
1119 1 65 ASP HB2 1 66 ILE H . . 4.940 3.188 2.528 3.534 . 0 0 "[ . 1 . 2]" 1
1120 1 65 ASP HB3 1 66 ILE H . . 4.940 4.019 3.852 4.361 . 0 0 "[ . 1 . 2]" 1
1121 1 66 ILE H 1 66 ILE HB . . 4.130 3.625 3.612 3.716 . 0 0 "[ . 1 . 2]" 1
1122 1 66 ILE H 1 66 ILE MD . . 3.950 3.700 3.532 3.808 . 0 0 "[ . 1 . 2]" 1
1123 1 66 ILE H 1 66 ILE HG12 . . 3.340 2.103 1.927 2.225 . 0 0 "[ . 1 . 2]" 1
1124 1 66 ILE H 1 66 ILE HG13 . . 3.350 3.091 2.732 3.323 . 0 0 "[ . 1 . 2]" 1
1125 1 66 ILE H 1 66 ILE MG . . 3.690 2.366 2.126 2.658 . 0 0 "[ . 1 . 2]" 1
1126 1 66 ILE H 1 67 HIS H . . 4.820 4.617 4.536 4.641 . 0 0 "[ . 1 . 2]" 1
1127 1 66 ILE H 1 109 PHE QE . . 5.200 5.137 5.000 5.206 0.006 6 0 "[ . 1 . 2]" 1
1128 1 66 ILE HB 1 66 ILE MD . . 3.340 2.371 2.178 2.543 . 0 0 "[ . 1 . 2]" 1
1129 1 66 ILE HB 1 67 HIS H . . 3.670 2.739 2.490 2.936 . 0 0 "[ . 1 . 2]" 1
1130 1 66 ILE HB 1 109 PHE QE . . 3.910 2.429 2.139 2.734 . 0 0 "[ . 1 . 2]" 1
1131 1 66 ILE MD 1 67 HIS H . . 4.670 4.494 4.261 4.663 . 0 0 "[ . 1 . 2]" 1
1132 1 66 ILE MD 1 109 PHE QD . . 4.310 2.951 2.552 3.229 . 0 0 "[ . 1 . 2]" 1
1133 1 66 ILE MD 1 109 PHE QE . . 3.990 2.214 1.969 2.756 . 0 0 "[ . 1 . 2]" 1
1134 1 66 ILE HG12 1 109 PHE QD . . 4.060 3.940 3.699 4.064 0.004 6 0 "[ . 1 . 2]" 1
1135 1 66 ILE HG12 1 109 PHE QE . . 4.380 3.919 3.711 4.111 . 0 0 "[ . 1 . 2]" 1
1136 1 66 ILE HG13 1 67 HIS H . . 4.400 3.923 3.672 4.155 . 0 0 "[ . 1 . 2]" 1
1137 1 66 ILE HG13 1 109 PHE QD . . 4.010 2.326 2.068 2.495 . 0 0 "[ . 1 . 2]" 1
1138 1 66 ILE HG13 1 109 PHE QE . . 4.240 2.458 2.123 2.794 . 0 0 "[ . 1 . 2]" 1
1139 1 66 ILE MG 1 67 HIS H . . 3.940 3.808 3.636 3.941 0.001 1 0 "[ . 1 . 2]" 1
1140 1 66 ILE MG 1 109 PHE QE . . 4.150 3.892 3.714 4.145 . 0 0 "[ . 1 . 2]" 1
1141 1 67 HIS H 1 67 HIS HB2 . . 4.040 2.793 2.671 2.945 . 0 0 "[ . 1 . 2]" 1
1142 1 67 HIS H 1 67 HIS QB . . 3.540 2.729 2.614 2.862 . 0 0 "[ . 1 . 2]" 1
1143 1 67 HIS H 1 67 HIS HB3 . . 4.040 3.837 3.722 3.891 . 0 0 "[ . 1 . 2]" 1
1144 1 67 HIS H 1 67 HIS HD2 . . 4.550 4.248 3.827 4.540 . 0 0 "[ . 1 . 2]" 1
1145 1 67 HIS H 1 109 PHE QE . . 4.260 3.487 3.043 3.810 . 0 0 "[ . 1 . 2]" 1
1146 1 67 HIS HA 1 68 PRO HD2 . . 3.720 2.390 2.254 2.459 . 0 0 "[ . 1 . 2]" 1
1147 1 67 HIS HA 1 68 PRO HD3 . . 3.810 2.296 2.258 2.324 . 0 0 "[ . 1 . 2]" 1
1148 1 67 HIS HA 1 68 PRO QG . . 5.010 3.995 3.914 4.039 . 0 0 "[ . 1 . 2]" 1
1149 1 67 HIS HA 1 109 PHE QB . . 4.900 3.629 3.400 4.054 . 0 0 "[ . 1 . 2]" 1
1150 1 67 HIS HA 1 109 PHE QD . . 4.410 2.982 2.709 3.473 . 0 0 "[ . 1 . 2]" 1
1151 1 67 HIS HA 1 109 PHE QE . . 4.750 3.395 3.010 3.718 . 0 0 "[ . 1 . 2]" 1
1152 1 67 HIS QB 1 68 PRO HD2 . . 4.360 2.114 1.991 2.533 . 0 0 "[ . 1 . 2]" 1
1153 1 67 HIS QB 1 68 PRO HD3 . . 4.190 3.463 3.369 3.767 . 0 0 "[ . 1 . 2]" 1
1154 1 67 HIS QB 1 71 TRP QB . . 3.550 2.219 2.039 2.413 . 0 0 "[ . 1 . 2]" 1
1155 1 67 HIS QB 1 71 TRP HD1 . . 4.530 3.004 2.348 3.955 . 0 0 "[ . 1 . 2]" 1
1156 1 67 HIS HB2 1 71 TRP HB2 . . 4.660 3.641 3.046 4.325 . 0 0 "[ . 1 . 2]" 1
1157 1 67 HIS HB2 1 71 TRP HB3 . . 4.660 3.276 2.942 3.770 . 0 0 "[ . 1 . 2]" 1
1158 1 67 HIS HB3 1 71 TRP HB2 . . 4.660 2.464 2.175 2.809 . 0 0 "[ . 1 . 2]" 1
1159 1 67 HIS HB3 1 71 TRP HB3 . . 4.660 2.904 2.177 3.520 . 0 0 "[ . 1 . 2]" 1
1160 1 67 HIS HD2 1 68 PRO HD2 . . 5.500 5.441 5.305 5.504 0.004 10 0 "[ . 1 . 2]" 1
1161 1 67 HIS HE1 1 71 TRP HE1 . . 4.600 3.166 2.674 3.912 . 0 0 "[ . 1 . 2]" 1
1162 1 68 PRO HA 1 69 VAL H . . 3.250 2.272 2.165 2.384 . 0 0 "[ . 1 . 2]" 1
1163 1 68 PRO HA 1 69 VAL HB . . 5.140 4.852 4.735 4.963 . 0 0 "[ . 1 . 2]" 1
1164 1 68 PRO HA 1 104 ALA MB . . 4.900 3.356 3.145 3.705 . 0 0 "[ . 1 . 2]" 1
1165 1 68 PRO HA 1 109 PHE HZ . . 4.520 3.132 2.603 3.481 . 0 0 "[ . 1 . 2]" 1
1166 1 68 PRO QB 1 69 VAL H . . 3.690 2.865 2.575 3.228 . 0 0 "[ . 1 . 2]" 1
1167 1 68 PRO QB 1 69 VAL HB . . 4.780 4.294 4.171 4.484 . 0 0 "[ . 1 . 2]" 1
1168 1 68 PRO QB 1 104 ALA MB . . 3.740 3.586 3.078 3.742 0.002 14 0 "[ . 1 . 2]" 1
1169 1 68 PRO QB 1 106 LYS HA . . 3.520 2.603 1.974 3.255 . 0 0 "[ . 1 . 2]" 1
1170 1 68 PRO QB 1 109 PHE QD . . 3.830 2.700 2.386 3.150 . 0 0 "[ . 1 . 2]" 1
1171 1 68 PRO QB 1 109 PHE QE . . 4.170 2.374 1.997 2.671 . 0 0 "[ . 1 . 2]" 1
1172 1 68 PRO HD2 1 71 TRP HA . . 5.320 4.992 4.800 5.247 . 0 0 "[ . 1 . 2]" 1
1173 1 68 PRO HD2 1 109 PHE HB2 . . 4.740 4.061 3.878 4.468 . 0 0 "[ . 1 . 2]" 1
1174 1 68 PRO HD2 1 109 PHE QB . . 4.140 3.738 3.563 4.049 . 0 0 "[ . 1 . 2]" 1
1175 1 68 PRO HD2 1 109 PHE HB3 . . 4.740 4.378 4.129 4.676 . 0 0 "[ . 1 . 2]" 1
1176 1 68 PRO HD2 1 109 PHE QD . . 4.500 4.178 4.113 4.360 . 0 0 "[ . 1 . 2]" 1
1177 1 68 PRO HD3 1 109 PHE QD . . 4.600 2.867 2.729 2.996 . 0 0 "[ . 1 . 2]" 1
1178 1 68 PRO HD3 1 109 PHE HZ . . 4.740 4.391 3.983 4.702 . 0 0 "[ . 1 . 2]" 1
1179 1 68 PRO QG 1 71 TRP QB . . 4.360 3.069 2.197 3.869 . 0 0 "[ . 1 . 2]" 1
1180 1 68 PRO QG 1 106 LYS HA . . 3.780 2.645 1.998 2.991 . 0 0 "[ . 1 . 2]" 1
1181 1 68 PRO QG 1 109 PHE QD . . 4.130 3.055 2.837 3.228 . 0 0 "[ . 1 . 2]" 1
1182 1 68 PRO HG2 1 106 LYS HA . . 4.430 4.152 3.619 4.432 0.002 10 0 "[ . 1 . 2]" 1
1183 1 68 PRO HG2 1 109 PHE QD . . 4.810 4.581 4.389 4.722 . 0 0 "[ . 1 . 2]" 1
1184 1 68 PRO HG3 1 106 LYS HA . . 4.430 2.677 2.008 3.042 . 0 0 "[ . 1 . 2]" 1
1185 1 68 PRO HG3 1 109 PHE QD . . 4.810 3.103 2.873 3.296 . 0 0 "[ . 1 . 2]" 1
1186 1 69 VAL H 1 69 VAL HB . . 3.600 2.640 2.558 2.766 . 0 0 "[ . 1 . 2]" 1
1187 1 69 VAL H 1 69 VAL MG1 . . 3.940 3.769 3.756 3.784 . 0 0 "[ . 1 . 2]" 1
1188 1 69 VAL H 1 69 VAL MG2 . . 3.400 2.031 1.878 2.284 . 0 0 "[ . 1 . 2]" 1
1189 1 69 VAL H 1 70 GLY H . . 4.760 4.626 4.603 4.643 . 0 0 "[ . 1 . 2]" 1
1190 1 69 VAL H 1 103 ALA MB . . 4.240 3.376 2.818 3.703 . 0 0 "[ . 1 . 2]" 1
1191 1 69 VAL HA 1 69 VAL MG1 . . 3.510 2.367 2.270 2.453 . 0 0 "[ . 1 . 2]" 1
1192 1 69 VAL HA 1 69 VAL MG2 . . 3.620 2.367 2.235 2.454 . 0 0 "[ . 1 . 2]" 1
1193 1 69 VAL HA 1 70 GLY H . . 3.370 2.236 2.191 2.272 . 0 0 "[ . 1 . 2]" 1
1194 1 69 VAL HA 1 92 TRP HE1 . . 4.430 4.363 4.062 4.437 0.007 3 0 "[ . 1 . 2]" 1
1195 1 69 VAL HA 1 92 TRP HZ2 . . 4.680 3.927 3.583 4.546 . 0 0 "[ . 1 . 2]" 1
1196 1 69 VAL HA 1 103 ALA MB . . 4.630 4.296 4.112 4.455 . 0 0 "[ . 1 . 2]" 1
1197 1 69 VAL HB 1 70 GLY H . . 4.670 3.936 3.810 4.054 . 0 0 "[ . 1 . 2]" 1
1198 1 69 VAL HB 1 103 ALA MB . . 3.000 1.944 1.778 2.159 . 0 0 "[ . 1 . 2]" 1
1199 1 69 VAL MG1 1 70 GLY H . . 4.090 2.142 1.996 2.323 . 0 0 "[ . 1 . 2]" 1
1200 1 69 VAL MG1 1 70 GLY HA2 . . 4.550 3.419 3.244 3.540 . 0 0 "[ . 1 . 2]" 1
1201 1 69 VAL MG1 1 70 GLY HA3 . . 4.550 3.178 2.981 3.453 . 0 0 "[ . 1 . 2]" 1
1202 1 69 VAL MG1 1 71 TRP H . . 4.890 4.313 4.219 4.414 . 0 0 "[ . 1 . 2]" 1
1203 1 69 VAL MG1 1 92 TRP HB2 . . 4.620 3.644 3.255 3.866 . 0 0 "[ . 1 . 2]" 1
1204 1 69 VAL MG1 1 92 TRP QB . . 4.020 2.689 2.388 2.898 . 0 0 "[ . 1 . 2]" 1
1205 1 69 VAL MG1 1 92 TRP HB3 . . 4.620 2.769 2.456 2.995 . 0 0 "[ . 1 . 2]" 1
1206 1 69 VAL MG1 1 92 TRP HD1 . . 3.980 3.715 3.349 3.980 . 0 0 "[ . 1 . 2]" 1
1207 1 69 VAL MG1 1 92 TRP HE1 . . 4.800 3.648 3.246 3.984 . 0 0 "[ . 1 . 2]" 1
1208 1 69 VAL MG1 1 92 TRP HE3 . . 4.640 2.741 2.463 3.133 . 0 0 "[ . 1 . 2]" 1
1209 1 69 VAL MG1 1 92 TRP HZ2 . . 4.790 3.813 3.571 4.211 . 0 0 "[ . 1 . 2]" 1
1210 1 69 VAL MG1 1 96 LEU HB3 . . 5.500 5.432 5.217 5.501 0.001 2 0 "[ . 1 . 2]" 1
1211 1 69 VAL MG1 1 96 LEU MD1 . . 3.550 2.258 2.139 2.400 . 0 0 "[ . 1 . 2]" 1
1212 1 69 VAL MG1 1 96 LEU MD2 . . 4.360 3.056 2.851 3.336 . 0 0 "[ . 1 . 2]" 1
1213 1 69 VAL MG1 1 96 LEU HG . . 4.940 4.185 3.954 4.391 . 0 0 "[ . 1 . 2]" 1
1214 1 69 VAL MG1 1 103 ALA MB . . 3.430 2.399 2.043 2.696 . 0 0 "[ . 1 . 2]" 1
1215 1 69 VAL MG2 1 70 GLY H . . 4.070 3.894 3.790 4.015 . 0 0 "[ . 1 . 2]" 1
1216 1 69 VAL MG2 1 92 TRP HH2 . . 4.530 3.038 2.507 3.377 . 0 0 "[ . 1 . 2]" 1
1217 1 69 VAL MG2 1 92 TRP HZ2 . . 4.460 3.743 3.372 4.201 . 0 0 "[ . 1 . 2]" 1
1218 1 69 VAL MG2 1 92 TRP HZ3 . . 4.550 2.883 2.445 3.354 . 0 0 "[ . 1 . 2]" 1
1219 1 69 VAL MG2 1 96 LEU MD1 . . 3.740 3.509 3.247 3.741 0.001 13 0 "[ . 1 . 2]" 1
1220 1 69 VAL MG2 1 96 LEU MD2 . . 4.090 3.043 2.711 3.273 . 0 0 "[ . 1 . 2]" 1
1221 1 69 VAL MG2 1 103 ALA H . . 4.640 4.407 3.971 4.642 0.002 14 0 "[ . 1 . 2]" 1
1222 1 69 VAL MG2 1 103 ALA HA . . 4.020 2.504 2.289 2.988 . 0 0 "[ . 1 . 2]" 1
1223 1 69 VAL MG2 1 103 ALA MB . . 3.020 1.905 1.781 2.167 . 0 0 "[ . 1 . 2]" 1
1224 1 69 VAL MG2 1 104 ALA H . . 4.530 2.665 1.961 3.168 . 0 0 "[ . 1 . 2]" 1
1225 1 70 GLY H 1 71 TRP H . . 3.610 2.632 2.465 3.019 . 0 0 "[ . 1 . 2]" 1
1226 1 70 GLY H 1 92 TRP HD1 . . 4.420 3.910 3.582 4.229 . 0 0 "[ . 1 . 2]" 1
1227 1 70 GLY H 1 92 TRP HE1 . . 4.150 3.475 3.052 4.151 0.001 15 0 "[ . 1 . 2]" 1
1228 1 70 GLY H 1 96 LEU MD1 . . 5.500 5.390 5.269 5.500 . 0 0 "[ . 1 . 2]" 1
1229 1 71 TRP H 1 71 TRP HB2 . . 3.450 2.801 2.585 2.995 . 0 0 "[ . 1 . 2]" 1
1230 1 71 TRP H 1 71 TRP HB3 . . 3.450 2.471 2.339 2.578 . 0 0 "[ . 1 . 2]" 1
1231 1 71 TRP H 1 71 TRP HE3 . . 4.760 4.419 3.973 4.720 . 0 0 "[ . 1 . 2]" 1
1232 1 71 TRP H 1 72 CYS H . . 3.860 2.405 2.221 3.162 . 0 0 "[ . 1 . 2]" 1
1233 1 71 TRP H 1 74 LYS QB . . 4.610 4.507 4.176 4.614 0.004 20 0 "[ . 1 . 2]" 1
1234 1 71 TRP HA 1 71 TRP HD1 . . 4.190 3.158 2.871 3.416 . 0 0 "[ . 1 . 2]" 1
1235 1 71 TRP HA 1 71 TRP HE1 . . 5.340 5.103 4.946 5.316 . 0 0 "[ . 1 . 2]" 1
1236 1 71 TRP HA 1 74 LYS H . . 4.500 3.195 2.959 3.489 . 0 0 "[ . 1 . 2]" 1
1237 1 71 TRP HA 1 74 LYS QB . . 3.570 2.230 1.961 2.476 . 0 0 "[ . 1 . 2]" 1
1238 1 71 TRP HA 1 74 LYS QD . . 4.510 3.822 2.927 4.511 0.001 4 0 "[ . 1 . 2]" 1
1239 1 71 TRP QB 1 71 TRP HE1 . . 4.520 4.445 4.425 4.473 . 0 0 "[ . 1 . 2]" 1
1240 1 71 TRP QB 1 72 CYS H . . 3.780 2.468 2.257 2.681 . 0 0 "[ . 1 . 2]" 1
1241 1 71 TRP QB 1 74 LYS QB . . 5.000 3.989 3.716 4.307 . 0 0 "[ . 1 . 2]" 1
1242 1 71 TRP HD1 1 75 THR MG . . 4.300 3.631 2.842 4.188 . 0 0 "[ . 1 . 2]" 1
1243 1 71 TRP HE1 1 75 THR MG . . 3.450 2.638 1.936 3.110 . 0 0 "[ . 1 . 2]" 1
1244 1 71 TRP HE3 1 72 CYS H . . 4.030 2.768 2.254 3.303 . 0 0 "[ . 1 . 2]" 1
1245 1 71 TRP HE3 1 72 CYS HA . . 4.110 2.630 2.080 3.250 . 0 0 "[ . 1 . 2]" 1
1246 1 71 TRP HE3 1 72 CYS QB . . 3.760 3.344 2.773 3.757 . 0 0 "[ . 1 . 2]" 1
1247 1 71 TRP HZ2 1 75 THR MG . . 4.330 2.635 2.083 3.260 . 0 0 "[ . 1 . 2]" 1
1248 1 72 CYS H 1 72 CYS HB2 . . 4.010 3.246 2.209 3.620 . 0 0 "[ . 1 . 2]" 1
1249 1 72 CYS H 1 72 CYS QB . . 3.200 2.474 2.146 2.625 . 0 0 "[ . 1 . 2]" 1
1250 1 72 CYS H 1 72 CYS HB3 . . 4.010 2.805 2.507 3.614 . 0 0 "[ . 1 . 2]" 1
1251 1 72 CYS H 1 73 GLU H . . 3.970 2.938 2.674 3.150 . 0 0 "[ . 1 . 2]" 1
1252 1 72 CYS H 1 74 LYS QB . . 4.890 4.712 4.508 4.893 0.003 16 0 "[ . 1 . 2]" 1
1253 1 72 CYS HA 1 74 LYS QB . . 5.500 5.086 4.820 5.430 . 0 0 "[ . 1 . 2]" 1
1254 1 72 CYS HA 1 75 THR H . . 4.280 4.000 3.822 4.267 . 0 0 "[ . 1 . 2]" 1
1255 1 72 CYS HA 1 75 THR HG1 . . 4.130 2.972 2.544 3.217 . 0 0 "[ . 1 . 2]" 1
1256 1 72 CYS HA 1 75 THR MG . . 4.870 4.511 3.919 4.841 . 0 0 "[ . 1 . 2]" 1
1257 1 72 CYS HA 1 76 GLY H . . 4.640 3.626 3.201 4.643 0.003 20 0 "[ . 1 . 2]" 1
1258 1 72 CYS HA 1 77 HIS H . . 3.790 3.125 2.385 3.708 . 0 0 "[ . 1 . 2]" 1
1259 1 72 CYS HA 1 77 HIS HB2 . . 4.420 3.237 2.474 3.905 . 0 0 "[ . 1 . 2]" 1
1260 1 72 CYS HA 1 77 HIS QB . . 3.680 2.705 2.434 3.133 . 0 0 "[ . 1 . 2]" 1
1261 1 72 CYS HA 1 77 HIS HB3 . . 4.420 3.413 2.576 4.303 . 0 0 "[ . 1 . 2]" 1
1262 1 72 CYS HA 1 79 LEU QB . . 5.340 4.678 4.258 5.032 . 0 0 "[ . 1 . 2]" 1
1263 1 72 CYS QB 1 73 GLU H . . 3.630 3.015 2.085 3.457 . 0 0 "[ . 1 . 2]" 1
1264 1 72 CYS QB 1 77 HIS H . . 4.550 3.456 2.869 4.286 . 0 0 "[ . 1 . 2]" 1
1265 1 72 CYS QB 1 79 LEU QB . . 3.750 2.401 2.033 2.649 . 0 0 "[ . 1 . 2]" 1
1266 1 72 CYS QB 1 79 LEU MD1 . . 4.160 3.786 3.209 4.157 . 0 0 "[ . 1 . 2]" 1
1267 1 72 CYS QB 1 79 LEU MD2 . . 4.090 3.619 3.126 4.046 . 0 0 "[ . 1 . 2]" 1
1268 1 72 CYS HB2 1 73 GLU H . . 4.200 3.340 2.218 3.752 . 0 0 "[ . 1 . 2]" 1
1269 1 72 CYS HB2 1 79 LEU H . . 4.380 3.653 2.920 4.379 . 0 0 "[ . 1 . 2]" 1
1270 1 72 CYS HB3 1 73 GLU H . . 4.200 3.624 2.100 4.099 . 0 0 "[ . 1 . 2]" 1
1271 1 72 CYS HB3 1 79 LEU H . . 4.380 3.917 3.065 4.374 . 0 0 "[ . 1 . 2]" 1
1272 1 73 GLU H 1 73 GLU HB2 . . 3.680 2.357 2.180 2.664 . 0 0 "[ . 1 . 2]" 1
1273 1 73 GLU H 1 73 GLU HB3 . . 3.680 3.180 2.538 3.600 . 0 0 "[ . 1 . 2]" 1
1274 1 73 GLU H 1 73 GLU QG . . 4.210 3.322 2.178 4.077 . 0 0 "[ . 1 . 2]" 1
1275 1 73 GLU H 1 74 LYS H . . 3.570 2.519 2.302 2.739 . 0 0 "[ . 1 . 2]" 1
1276 1 73 GLU H 1 74 LYS QB . . 4.460 4.245 4.061 4.436 . 0 0 "[ . 1 . 2]" 1
1277 1 73 GLU H 1 75 THR H . . 4.840 4.340 4.021 4.824 . 0 0 "[ . 1 . 2]" 1
1278 1 73 GLU HA 1 73 GLU HG2 . . 3.470 2.812 2.176 3.541 0.071 19 0 "[ . 1 . 2]" 1
1279 1 73 GLU HA 1 73 GLU HG3 . . 3.470 2.821 2.165 3.468 . 0 0 "[ . 1 . 2]" 1
1280 1 73 GLU HA 1 77 HIS H . . 4.670 3.827 2.742 4.371 . 0 0 "[ . 1 . 2]" 1
1281 1 73 GLU QB 1 74 LYS H . . 3.310 2.665 2.485 2.928 . 0 0 "[ . 1 . 2]" 1
1282 1 73 GLU QB 1 74 LYS HA . . 4.280 3.885 3.808 4.044 . 0 0 "[ . 1 . 2]" 1
1283 1 73 GLU QB 1 75 THR H . . 5.340 4.876 4.376 5.117 . 0 0 "[ . 1 . 2]" 1
1284 1 73 GLU HB2 1 74 LYS H . . 3.950 3.214 2.563 3.849 . 0 0 "[ . 1 . 2]" 1
1285 1 73 GLU HB3 1 74 LYS H . . 3.950 3.158 2.521 3.745 . 0 0 "[ . 1 . 2]" 1
1286 1 73 GLU QG 1 74 LYS H . . 4.940 4.212 3.752 4.636 . 0 0 "[ . 1 . 2]" 1
1287 1 74 LYS H 1 74 LYS QB . . 2.900 2.225 2.140 2.256 . 0 0 "[ . 1 . 2]" 1
1288 1 74 LYS H 1 74 LYS QD . . 4.540 4.359 4.213 4.496 . 0 0 "[ . 1 . 2]" 1
1289 1 74 LYS H 1 74 LYS HG2 . . 4.930 4.379 3.630 4.607 . 0 0 "[ . 1 . 2]" 1
1290 1 74 LYS H 1 74 LYS QG . . 4.150 3.906 2.952 4.026 . 0 0 "[ . 1 . 2]" 1
1291 1 74 LYS H 1 74 LYS HG3 . . 4.930 4.407 3.125 4.615 . 0 0 "[ . 1 . 2]" 1
1292 1 74 LYS H 1 75 THR HG1 . . 4.500 4.330 4.049 4.500 . 9 0 "[ . 1 . 2]" 1
1293 1 74 LYS H 1 75 THR MG . . 4.650 4.498 4.140 4.634 . 0 0 "[ . 1 . 2]" 1
1294 1 74 LYS HA 1 74 LYS QD . . 4.130 3.437 2.346 4.133 0.003 12 0 "[ . 1 . 2]" 1
1295 1 74 LYS HA 1 74 LYS QE . . 5.420 4.483 3.611 4.969 . 0 0 "[ . 1 . 2]" 1
1296 1 74 LYS HA 1 74 LYS QG . . 3.440 2.564 2.192 3.394 . 0 0 "[ . 1 . 2]" 1
1297 1 74 LYS HA 1 75 THR MG . . 4.850 4.680 4.427 4.809 . 0 0 "[ . 1 . 2]" 1
1298 1 74 LYS QB 1 74 LYS QE . . 4.430 3.414 1.950 3.731 . 0 0 "[ . 1 . 2]" 1
1299 1 74 LYS QB 1 75 THR H . . 3.590 2.451 2.043 3.613 0.023 20 0 "[ . 1 . 2]" 1
1300 1 74 LYS QB 1 75 THR MG . . 3.610 2.870 2.551 3.681 0.071 20 0 "[ . 1 . 2]" 1
1301 1 74 LYS QB 1 76 GLY H . . 5.040 4.682 4.399 5.056 0.016 20 0 "[ . 1 . 2]" 1
1302 1 74 LYS QD 1 75 THR MG . . 4.400 3.064 1.841 4.395 . 0 0 "[ . 1 . 2]" 1
1303 1 74 LYS QE 1 74 LYS HG2 . . 3.530 2.509 2.214 3.265 . 0 0 "[ . 1 . 2]" 1
1304 1 74 LYS QE 1 74 LYS QG . . 2.910 2.168 2.106 2.317 . 0 0 "[ . 1 . 2]" 1
1305 1 74 LYS QE 1 74 LYS HG3 . . 3.530 2.501 2.134 3.295 . 0 0 "[ . 1 . 2]" 1
1306 1 74 LYS QE 1 75 THR HA . . 5.500 4.927 4.248 5.504 0.004 20 0 "[ . 1 . 2]" 1
1307 1 74 LYS QE 1 75 THR MG . . 4.640 3.831 2.389 4.390 . 0 0 "[ . 1 . 2]" 1
1308 1 74 LYS QG 1 75 THR H . . 4.840 3.596 2.463 4.295 . 0 0 "[ . 1 . 2]" 1
1309 1 74 LYS QG 1 75 THR MG . . 4.140 3.227 1.931 4.120 . 0 0 "[ . 1 . 2]" 1
1310 1 74 LYS HG2 1 75 THR MG . . 4.920 3.645 2.903 4.788 . 0 0 "[ . 1 . 2]" 1
1311 1 74 LYS HG3 1 75 THR MG . . 4.920 3.982 1.949 4.695 . 0 0 "[ . 1 . 2]" 1
1312 1 75 THR H 1 75 THR HB . . 3.920 3.665 3.621 3.768 . 0 0 "[ . 1 . 2]" 1
1313 1 75 THR H 1 75 THR HG1 . . 3.450 2.025 1.908 2.262 . 0 0 "[ . 1 . 2]" 1
1314 1 75 THR H 1 75 THR MG . . 3.430 2.370 1.985 2.926 . 0 0 "[ . 1 . 2]" 1
1315 1 75 THR HA 1 75 THR MG . . 3.150 2.413 2.237 2.495 . 0 0 "[ . 1 . 2]" 1
1316 1 75 THR HG1 1 76 GLY H . . 4.550 2.164 1.908 3.016 . 0 0 "[ . 1 . 2]" 1
1317 1 75 THR HG1 1 77 HIS H . . 4.570 3.410 2.635 3.980 . 0 0 "[ . 1 . 2]" 1
1318 1 75 THR MG 1 76 GLY H . . 4.360 3.773 3.627 4.113 . 0 0 "[ . 1 . 2]" 1
1319 1 76 GLY H 1 77 HIS H . . 3.310 2.242 1.853 2.726 . 0 0 "[ . 1 . 2]" 1
1320 1 76 GLY H 1 77 HIS QB . . 4.540 3.703 3.436 4.075 . 0 0 "[ . 1 . 2]" 1
1321 1 77 HIS H 1 77 HIS HB2 . . 3.790 2.709 2.305 3.232 . 0 0 "[ . 1 . 2]" 1
1322 1 77 HIS H 1 77 HIS QB . . 3.260 2.511 2.277 2.835 . 0 0 "[ . 1 . 2]" 1
1323 1 77 HIS H 1 77 HIS HB3 . . 3.790 3.224 2.657 3.769 . 0 0 "[ . 1 . 2]" 1
1324 1 77 HIS H 1 78 LYS H . . 4.600 4.450 4.375 4.568 . 0 0 "[ . 1 . 2]" 1
1325 1 77 HIS HA 1 78 LYS H . . 3.180 2.499 2.250 2.650 . 0 0 "[ . 1 . 2]" 1
1326 1 77 HIS QB 1 78 LYS H . . 3.480 2.657 1.961 3.463 . 0 0 "[ . 1 . 2]" 1
1327 1 77 HIS HB2 1 78 LYS H . . 4.050 3.744 3.134 4.058 0.008 15 0 "[ . 1 . 2]" 1
1328 1 77 HIS HB3 1 78 LYS H . . 4.050 2.753 1.982 3.832 . 0 0 "[ . 1 . 2]" 1
1329 1 78 LYS H 1 78 LYS HB2 . . 3.850 2.541 2.259 3.745 . 0 0 "[ . 1 . 2]" 1
1330 1 78 LYS H 1 78 LYS QB . . 3.080 2.342 2.235 2.716 . 0 0 "[ . 1 . 2]" 1
1331 1 78 LYS H 1 78 LYS HB3 . . 3.850 3.245 2.384 3.665 . 0 0 "[ . 1 . 2]" 1
1332 1 78 LYS H 1 78 LYS HG2 . . 4.670 3.808 2.647 4.680 0.010 15 0 "[ . 1 . 2]" 1
1333 1 78 LYS H 1 78 LYS QG . . 4.080 3.390 2.604 4.084 0.004 3 0 "[ . 1 . 2]" 1
1334 1 78 LYS H 1 78 LYS HG3 . . 4.670 3.999 3.271 4.503 . 0 0 "[ . 1 . 2]" 1
1335 1 78 LYS H 1 79 LEU H . . 4.560 4.308 3.972 4.526 . 0 0 "[ . 1 . 2]" 1
1336 1 78 LYS HA 1 78 LYS QD . . 4.000 2.656 2.008 3.985 . 0 0 "[ . 1 . 2]" 1
1337 1 78 LYS HA 1 78 LYS QE . . 4.770 4.087 3.304 4.728 . 0 0 "[ . 1 . 2]" 1
1338 1 78 LYS HA 1 78 LYS HG2 . . 4.080 3.051 2.169 3.883 . 0 0 "[ . 1 . 2]" 1
1339 1 78 LYS HA 1 78 LYS QG . . 3.300 2.569 2.133 3.373 0.073 17 0 "[ . 1 . 2]" 1
1340 1 78 LYS HA 1 78 LYS HG3 . . 4.080 3.234 2.282 4.167 0.087 17 0 "[ . 1 . 2]" 1
1341 1 78 LYS HA 1 79 LEU H . . 2.840 2.187 2.141 2.403 . 0 0 "[ . 1 . 2]" 1
1342 1 78 LYS QB 1 78 LYS QD . . 3.470 2.270 2.048 2.512 . 0 0 "[ . 1 . 2]" 1
1343 1 78 LYS QB 1 78 LYS QE . . 3.980 3.018 1.970 3.740 . 0 0 "[ . 1 . 2]" 1
1344 1 78 LYS QB 1 79 LEU H . . 4.050 3.503 2.494 3.968 . 0 0 "[ . 1 . 2]" 1
1345 1 78 LYS HB2 1 78 LYS QE . . 4.740 3.568 2.093 4.437 . 0 0 "[ . 1 . 2]" 1
1346 1 78 LYS HB2 1 79 LEU H . . 4.670 4.321 2.524 4.597 . 0 0 "[ . 1 . 2]" 1
1347 1 78 LYS HB3 1 78 LYS QE . . 4.740 3.517 1.991 4.392 . 0 0 "[ . 1 . 2]" 1
1348 1 78 LYS HB3 1 79 LEU H . . 4.670 3.799 3.051 4.477 . 0 0 "[ . 1 . 2]" 1
1349 1 78 LYS QD 1 79 LEU H . . 4.780 3.955 3.129 4.785 0.005 17 0 "[ . 1 . 2]" 1
1350 1 78 LYS QE 1 78 LYS HG2 . . 3.650 2.632 2.135 3.505 . 0 0 "[ . 1 . 2]" 1
1351 1 78 LYS QE 1 78 LYS QG . . 3.200 2.281 2.108 2.586 . 0 0 "[ . 1 . 2]" 1
1352 1 78 LYS QE 1 78 LYS HG3 . . 3.650 2.788 2.214 3.488 . 0 0 "[ . 1 . 2]" 1
1353 1 78 LYS QG 1 79 LEU H . . 4.570 3.907 2.888 4.578 0.008 20 0 "[ . 1 . 2]" 1
1354 1 79 LEU H 1 79 LEU HB2 . . 3.450 2.937 2.775 3.301 . 0 0 "[ . 1 . 2]" 1
1355 1 79 LEU H 1 79 LEU QB . . 2.980 2.203 2.138 2.448 . 0 0 "[ . 1 . 2]" 1
1356 1 79 LEU H 1 79 LEU HB3 . . 3.450 2.277 2.199 2.524 . 0 0 "[ . 1 . 2]" 1
1357 1 79 LEU H 1 79 LEU MD1 . . 4.750 4.259 4.188 4.358 . 0 0 "[ . 1 . 2]" 1
1358 1 79 LEU H 1 79 LEU MD2 . . 4.490 4.202 4.049 4.411 . 0 0 "[ . 1 . 2]" 1
1359 1 79 LEU H 1 79 LEU HG . . 5.130 4.227 4.147 4.298 . 0 0 "[ . 1 . 2]" 1
1360 1 79 LEU H 1 80 HIS H . . 4.670 4.552 4.355 4.627 . 0 0 "[ . 1 . 2]" 1
1361 1 79 LEU HA 1 79 LEU MD1 . . 3.260 2.191 1.998 2.480 . 0 0 "[ . 1 . 2]" 1
1362 1 79 LEU HA 1 80 HIS H . . 3.230 2.210 2.140 2.278 . 0 0 "[ . 1 . 2]" 1
1363 1 79 LEU QB 1 79 LEU MD1 . . 3.210 2.272 2.150 2.369 . 0 0 "[ . 1 . 2]" 1
1364 1 79 LEU QB 1 79 LEU MD2 . . 3.140 2.083 2.042 2.097 . 0 0 "[ . 1 . 2]" 1
1365 1 79 LEU QB 1 80 HIS H . . 4.100 3.584 3.450 3.835 . 0 0 "[ . 1 . 2]" 1
1366 1 79 LEU HB2 1 79 LEU MD2 . . 3.600 2.421 2.308 2.564 . 0 0 "[ . 1 . 2]" 1
1367 1 79 LEU HB2 1 80 HIS H . . 4.670 3.900 3.747 4.215 . 0 0 "[ . 1 . 2]" 1
1368 1 79 LEU HB3 1 79 LEU MD2 . . 3.600 2.279 2.144 2.370 . 0 0 "[ . 1 . 2]" 1
1369 1 79 LEU HB3 1 80 HIS H . . 4.670 4.182 4.013 4.408 . 0 0 "[ . 1 . 2]" 1
1370 1 79 LEU MD1 1 80 HIS H . . 3.430 2.107 1.843 2.493 . 0 0 "[ . 1 . 2]" 1
1371 1 79 LEU MD1 1 81 PRO HA . . 4.230 4.182 3.970 4.237 0.007 3 0 "[ . 1 . 2]" 1
1372 1 79 LEU MD1 1 92 TRP HZ2 . . 4.380 3.779 3.411 4.236 . 0 0 "[ . 1 . 2]" 1
1373 1 79 LEU MD2 1 90 PHE QD . . 4.100 3.234 2.601 4.059 . 0 0 "[ . 1 . 2]" 1
1374 1 79 LEU MD2 1 90 PHE QE . . 3.800 2.980 2.043 3.709 . 0 0 "[ . 1 . 2]" 1
1375 1 79 LEU MD2 1 92 TRP HD1 . . 4.080 3.286 2.282 3.728 . 0 0 "[ . 1 . 2]" 1
1376 1 79 LEU MD2 1 92 TRP HE1 . . 3.730 2.041 1.809 2.493 . 0 0 "[ . 1 . 2]" 1
1377 1 79 LEU MD2 1 92 TRP HZ2 . . 4.280 3.408 2.983 4.037 . 0 0 "[ . 1 . 2]" 1
1378 1 80 HIS H 1 80 HIS HB2 . . 3.750 2.455 2.328 2.613 . 0 0 "[ . 1 . 2]" 1
1379 1 80 HIS H 1 80 HIS QB . . 3.220 2.419 2.300 2.563 . 0 0 "[ . 1 . 2]" 1
1380 1 80 HIS H 1 80 HIS HB3 . . 3.750 3.646 3.584 3.710 . 0 0 "[ . 1 . 2]" 1
1381 1 80 HIS H 1 80 HIS HD2 . . 4.230 2.522 1.979 2.908 . 0 0 "[ . 1 . 2]" 1
1382 1 80 HIS HA 1 81 PRO HD2 . . 3.390 2.013 1.918 2.136 . 0 0 "[ . 1 . 2]" 1
1383 1 80 HIS HA 1 81 PRO HD3 . . 3.390 2.314 2.253 2.441 . 0 0 "[ . 1 . 2]" 1
1384 1 80 HIS QB 1 81 PRO QD . . 4.320 2.930 2.583 3.303 . 0 0 "[ . 1 . 2]" 1
1385 1 81 PRO HB2 1 85 TYR H . . 4.270 3.708 3.450 3.872 . 0 0 "[ . 1 . 2]" 1
1386 1 81 PRO HB2 1 85 TYR HB2 . . 4.040 2.519 2.424 2.633 . 0 0 "[ . 1 . 2]" 1
1387 1 81 PRO HB2 1 85 TYR HB3 . . 4.040 2.170 2.084 2.264 . 0 0 "[ . 1 . 2]" 1
1388 1 81 PRO HB2 1 85 TYR QD . . 4.510 4.203 4.108 4.264 . 0 0 "[ . 1 . 2]" 1
1389 1 81 PRO HB2 1 87 GLU HA . . 5.140 4.733 4.431 5.139 . 0 0 "[ . 1 . 2]" 1
1390 1 81 PRO HB2 1 90 PHE QB . . 4.470 3.685 3.346 4.170 . 0 0 "[ . 1 . 2]" 1
1391 1 81 PRO HB3 1 85 TYR H . . 5.500 5.357 5.085 5.500 0.000 14 0 "[ . 1 . 2]" 1
1392 1 81 PRO HB3 1 85 TYR HB2 . . 4.550 3.998 3.870 4.125 . 0 0 "[ . 1 . 2]" 1
1393 1 81 PRO HB3 1 85 TYR QD . . 4.720 4.693 4.528 4.732 0.012 15 0 "[ . 1 . 2]" 1
1394 1 81 PRO HB3 1 87 GLU HA . . 4.990 3.113 2.777 3.562 . 0 0 "[ . 1 . 2]" 1
1395 1 81 PRO HB3 1 87 GLU QB . . 4.750 4.310 3.936 4.608 . 0 0 "[ . 1 . 2]" 1
1396 1 81 PRO HB3 1 90 PHE HB2 . . 4.480 3.189 2.511 3.911 . 0 0 "[ . 1 . 2]" 1
1397 1 81 PRO HB3 1 90 PHE QB . . 3.930 2.805 2.365 3.141 . 0 0 "[ . 1 . 2]" 1
1398 1 81 PRO HB3 1 90 PHE HB3 . . 4.480 3.177 2.698 3.766 . 0 0 "[ . 1 . 2]" 1
1399 1 81 PRO HB3 1 90 PHE QD . . 4.670 3.814 3.004 4.671 0.001 19 0 "[ . 1 . 2]" 1
1400 1 81 PRO QG 1 85 TYR H . . 4.550 4.014 3.804 4.204 . 0 0 "[ . 1 . 2]" 1
1401 1 81 PRO QG 1 85 TYR QD . . 5.350 5.258 5.093 5.352 0.002 12 0 "[ . 1 . 2]" 1
1402 1 81 PRO QG 1 87 GLU HA . . 4.150 3.317 2.855 3.733 . 0 0 "[ . 1 . 2]" 1
1403 1 82 PRO HA 1 83 LYS H . . 3.460 2.671 2.512 2.727 . 0 0 "[ . 1 . 2]" 1
1404 1 82 PRO HB2 1 83 LYS QG . . 3.800 3.143 2.925 3.348 . 0 0 "[ . 1 . 2]" 1
1405 1 82 PRO HB2 1 85 TYR QD . . 3.620 3.213 3.081 3.324 . 0 0 "[ . 1 . 2]" 1
1406 1 82 PRO HB2 1 85 TYR QE . . 4.610 4.506 4.344 4.607 . 0 0 "[ . 1 . 2]" 1
1407 1 82 PRO HB3 1 83 LYS H . . 4.380 3.184 3.142 3.322 . 0 0 "[ . 1 . 2]" 1
1408 1 82 PRO HB3 1 85 TYR QD . . 4.750 4.600 4.458 4.711 . 0 0 "[ . 1 . 2]" 1
1409 1 83 LYS H 1 83 LYS HB2 . . 3.780 3.571 3.536 3.592 . 0 0 "[ . 1 . 2]" 1
1410 1 83 LYS H 1 83 LYS HB3 . . 3.780 2.405 2.262 2.697 . 0 0 "[ . 1 . 2]" 1
1411 1 83 LYS H 1 83 LYS QG . . 4.060 2.426 2.120 2.679 . 0 0 "[ . 1 . 2]" 1
1412 1 83 LYS HA 1 83 LYS QD . . 4.340 3.829 3.427 4.426 0.086 15 0 "[ . 1 . 2]" 1
1413 1 83 LYS HA 1 83 LYS QG . . 3.830 3.401 3.318 3.447 . 0 0 "[ . 1 . 2]" 1
1414 1 83 LYS HA 1 84 GLY QA . . 4.520 3.924 3.906 3.945 . 0 0 "[ . 1 . 2]" 1
1415 1 83 LYS HA 1 85 TYR H . . 4.030 3.876 3.649 4.054 0.024 19 0 "[ . 1 . 2]" 1
1416 1 83 LYS QB 1 83 LYS QD . . 3.260 2.187 2.036 2.327 . 0 0 "[ . 1 . 2]" 1
1417 1 83 LYS QB 1 83 LYS QE . . 4.430 2.887 2.228 3.733 . 0 0 "[ . 1 . 2]" 1
1418 1 83 LYS QB 1 84 GLY H . . 4.260 3.248 3.037 3.417 . 0 0 "[ . 1 . 2]" 1
1419 1 83 LYS QD 1 85 TYR QE . . 5.190 4.852 4.198 5.221 0.031 19 0 "[ . 1 . 2]" 1
1420 1 83 LYS QE 1 83 LYS QG . . 3.070 2.264 2.069 2.549 . 0 0 "[ . 1 . 2]" 1
1421 1 83 LYS QE 1 84 GLY H . . 5.500 5.111 4.434 5.501 0.001 16 0 "[ . 1 . 2]" 1
1422 1 83 LYS QG 1 85 TYR H . . 5.500 5.332 5.043 5.498 . 0 0 "[ . 1 . 2]" 1
1423 1 83 LYS QG 1 85 TYR QD . . 4.290 3.562 3.248 3.817 . 0 0 "[ . 1 . 2]" 1
1424 1 83 LYS QG 1 85 TYR QE . . 4.700 4.230 3.823 4.520 . 0 0 "[ . 1 . 2]" 1
1425 1 84 GLY H 1 85 TYR H . . 3.690 2.702 2.531 2.826 . 0 0 "[ . 1 . 2]" 1
1426 1 84 GLY QA 1 85 TYR QD . . 5.060 3.869 3.667 4.143 . 0 0 "[ . 1 . 2]" 1
1427 1 85 TYR H 1 85 TYR HB2 . . 3.180 2.689 2.614 2.733 . 0 0 "[ . 1 . 2]" 1
1428 1 85 TYR H 1 85 TYR HB3 . . 3.810 3.706 3.673 3.743 . 0 0 "[ . 1 . 2]" 1
1429 1 85 TYR H 1 85 TYR QD . . 3.810 3.704 3.447 3.819 0.009 15 0 "[ . 1 . 2]" 1
1430 1 85 TYR H 1 86 LYS H . . 4.640 4.349 4.232 4.403 . 0 0 "[ . 1 . 2]" 1
1431 1 85 TYR HA 1 85 TYR QD . . 4.020 2.872 2.722 2.996 . 0 0 "[ . 1 . 2]" 1
1432 1 85 TYR HA 1 85 TYR QE . . 4.550 4.464 4.407 4.516 . 0 0 "[ . 1 . 2]" 1
1433 1 85 TYR HA 1 86 LYS H . . 3.030 2.240 2.159 2.341 . 0 0 "[ . 1 . 2]" 1
1434 1 85 TYR HB2 1 86 LYS H . . 4.580 4.173 3.988 4.363 . 0 0 "[ . 1 . 2]" 1
1435 1 85 TYR HB3 1 86 LYS H . . 4.130 2.967 2.661 3.312 . 0 0 "[ . 1 . 2]" 1
1436 1 85 TYR QD 1 86 LYS H . . 4.490 3.191 2.908 3.430 . 0 0 "[ . 1 . 2]" 1
1437 1 85 TYR QD 1 89 GLU HB2 . . 4.710 4.107 3.765 4.710 . 0 0 "[ . 1 . 2]" 1
1438 1 85 TYR QD 1 89 GLU QB . . 3.870 3.603 3.079 3.862 . 0 0 "[ . 1 . 2]" 1
1439 1 85 TYR QD 1 89 GLU HB3 . . 4.710 4.081 3.220 4.671 . 0 0 "[ . 1 . 2]" 1
1440 1 85 TYR QD 1 90 PHE HA . . 4.110 3.484 3.150 3.892 . 0 0 "[ . 1 . 2]" 1
1441 1 85 TYR QD 1 90 PHE QD . . 4.480 3.017 2.301 3.678 . 0 0 "[ . 1 . 2]" 1
1442 1 85 TYR QE 1 90 PHE HA . . 4.390 4.128 3.847 4.395 0.005 15 0 "[ . 1 . 2]" 1
1443 1 85 TYR QE 1 90 PHE QD . . 4.430 3.534 2.531 4.122 . 0 0 "[ . 1 . 2]" 1
1444 1 85 TYR QE 1 90 PHE QE . . 5.500 4.792 3.796 5.484 . 0 0 "[ . 1 . 2]" 1
1445 1 86 LYS H 1 86 LYS HB2 . . 3.870 2.588 2.257 3.040 . 0 0 "[ . 1 . 2]" 1
1446 1 86 LYS H 1 86 LYS QB . . 3.100 2.415 2.231 2.562 . 0 0 "[ . 1 . 2]" 1
1447 1 86 LYS H 1 86 LYS HB3 . . 3.870 3.218 2.586 3.755 . 0 0 "[ . 1 . 2]" 1
1448 1 86 LYS H 1 86 LYS QG . . 4.080 3.662 2.843 4.139 0.059 15 0 "[ . 1 . 2]" 1
1449 1 86 LYS H 1 89 GLU QB . . 4.560 2.374 1.890 2.731 . 0 0 "[ . 1 . 2]" 1
1450 1 86 LYS HA 1 86 LYS QD . . 4.330 2.856 2.039 4.120 . 0 0 "[ . 1 . 2]" 1
1451 1 86 LYS HA 1 86 LYS QE . . 4.390 3.864 1.934 4.390 . 0 0 "[ . 1 . 2]" 1
1452 1 86 LYS HA 1 86 LYS HG2 . . 4.030 3.186 2.598 3.800 . 0 0 "[ . 1 . 2]" 1
1453 1 86 LYS HA 1 86 LYS QG . . 3.490 2.538 2.146 2.973 . 0 0 "[ . 1 . 2]" 1
1454 1 86 LYS HA 1 86 LYS HG3 . . 4.030 2.917 2.167 3.791 . 0 0 "[ . 1 . 2]" 1
1455 1 86 LYS HA 1 89 GLU QB . . 5.060 4.342 3.850 4.654 . 0 0 "[ . 1 . 2]" 1
1456 1 86 LYS HA 1 89 GLU QG . . 5.340 5.102 4.650 5.327 . 0 0 "[ . 1 . 2]" 1
1457 1 86 LYS QB 1 86 LYS QD . . 3.280 2.252 2.058 2.573 . 0 0 "[ . 1 . 2]" 1
1458 1 86 LYS QB 1 86 LYS QE . . 3.910 3.020 1.966 3.824 . 0 0 "[ . 1 . 2]" 1
1459 1 86 LYS QB 1 89 GLU H . . 3.770 2.362 1.889 2.650 . 0 0 "[ . 1 . 2]" 1
1460 1 86 LYS QB 1 89 GLU QB . . 3.760 2.164 1.939 2.477 . 0 0 "[ . 1 . 2]" 1
1461 1 86 LYS QB 1 89 GLU QG . . 3.570 2.489 1.963 3.521 . 0 0 "[ . 1 . 2]" 1
1462 1 86 LYS HB2 1 86 LYS QE . . 4.670 3.380 1.990 4.442 . 0 0 "[ . 1 . 2]" 1
1463 1 86 LYS HB3 1 86 LYS QE . . 4.670 3.724 2.004 4.499 . 0 0 "[ . 1 . 2]" 1
1464 1 86 LYS QE 1 86 LYS QG . . 3.410 2.273 2.033 2.619 . 0 0 "[ . 1 . 2]" 1
1465 1 87 GLU H 1 89 GLU H . . 4.710 4.007 3.758 4.205 . 0 0 "[ . 1 . 2]" 1
1466 1 87 GLU HA 1 87 GLU QG . . 3.540 3.159 2.400 3.452 . 0 0 "[ . 1 . 2]" 1
1467 1 87 GLU HA 1 89 GLU H . . 4.550 4.375 3.947 4.551 0.001 16 0 "[ . 1 . 2]" 1
1468 1 87 GLU QB 1 88 GLU H . . 3.790 3.053 2.258 3.655 . 0 0 "[ . 1 . 2]" 1
1469 1 87 GLU QB 1 89 GLU H . . 5.340 4.882 4.331 5.224 . 0 0 "[ . 1 . 2]" 1
1470 1 87 GLU QG 1 88 GLU H . . 3.840 2.366 1.838 3.357 . 0 0 "[ . 1 . 2]" 1
1471 1 87 GLU QG 1 88 GLU HA . . 4.060 3.547 3.133 4.034 . 0 0 "[ . 1 . 2]" 1
1472 1 87 GLU HG2 1 88 GLU H . . 4.470 2.937 2.010 4.371 . 0 0 "[ . 1 . 2]" 1
1473 1 87 GLU HG3 1 88 GLU H . . 4.470 2.916 1.908 4.434 . 0 0 "[ . 1 . 2]" 1
1474 1 88 GLU H 1 88 GLU QB . . 3.680 2.550 2.184 2.834 . 0 0 "[ . 1 . 2]" 1
1475 1 88 GLU H 1 88 GLU HG2 . . 4.720 2.419 1.914 4.434 . 0 0 "[ . 1 . 2]" 1
1476 1 88 GLU H 1 88 GLU QG . . 4.100 2.296 1.821 3.954 . 0 0 "[ . 1 . 2]" 1
1477 1 88 GLU H 1 88 GLU HG3 . . 4.720 3.252 2.280 4.528 . 0 0 "[ . 1 . 2]" 1
1478 1 88 GLU H 1 89 GLU H . . 3.640 2.533 2.160 2.768 . 0 0 "[ . 1 . 2]" 1
1479 1 88 GLU QG 1 89 GLU H . . 3.760 2.283 1.905 3.580 . 0 0 "[ . 1 . 2]" 1
1480 1 88 GLU QG 1 89 GLU HA . . 4.140 3.554 2.973 4.125 . 0 0 "[ . 1 . 2]" 1
1481 1 88 GLU QG 1 90 PHE H . . 4.760 4.487 4.240 4.758 . 0 0 "[ . 1 . 2]" 1
1482 1 88 GLU HG2 1 89 GLU H . . 4.480 2.849 2.094 3.920 . 0 0 "[ . 1 . 2]" 1
1483 1 88 GLU HG3 1 89 GLU H . . 4.480 2.700 1.945 4.407 . 0 0 "[ . 1 . 2]" 1
1484 1 89 GLU H 1 89 GLU HB2 . . 3.800 2.448 2.206 2.827 . 0 0 "[ . 1 . 2]" 1
1485 1 89 GLU H 1 89 GLU QB . . 3.290 2.359 2.184 2.528 . 0 0 "[ . 1 . 2]" 1
1486 1 89 GLU H 1 89 GLU HB3 . . 3.800 3.475 2.275 3.677 . 0 0 "[ . 1 . 2]" 1
1487 1 89 GLU H 1 89 GLU QG . . 3.890 2.775 2.200 3.935 0.045 10 0 "[ . 1 . 2]" 1
1488 1 89 GLU H 1 90 PHE H . . 3.240 2.727 2.485 3.198 . 0 0 "[ . 1 . 2]" 1
1489 1 89 GLU H 1 90 PHE HB2 . . 5.240 4.804 4.145 5.203 . 0 0 "[ . 1 . 2]" 1
1490 1 89 GLU H 1 90 PHE HB3 . . 5.240 4.706 4.199 5.133 . 0 0 "[ . 1 . 2]" 1
1491 1 89 GLU HA 1 89 GLU QG . . 3.540 2.721 2.384 3.113 . 0 0 "[ . 1 . 2]" 1
1492 1 89 GLU QB 1 90 PHE H . . 3.980 2.922 2.117 3.886 . 0 0 "[ . 1 . 2]" 1
1493 1 89 GLU HB2 1 90 PHE H . . 4.810 3.198 2.144 4.274 . 0 0 "[ . 1 . 2]" 1
1494 1 89 GLU HB3 1 90 PHE H . . 4.810 3.670 2.984 4.464 . 0 0 "[ . 1 . 2]" 1
1495 1 89 GLU QG 1 90 PHE H . . 5.340 4.219 3.582 4.862 . 0 0 "[ . 1 . 2]" 1
1496 1 90 PHE H 1 90 PHE HB2 . . 3.820 2.818 2.385 3.531 . 0 0 "[ . 1 . 2]" 1
1497 1 90 PHE H 1 90 PHE QB . . 3.350 2.438 2.243 2.947 . 0 0 "[ . 1 . 2]" 1
1498 1 90 PHE H 1 90 PHE HB3 . . 3.820 2.705 2.491 3.156 . 0 0 "[ . 1 . 2]" 1
1499 1 90 PHE H 1 90 PHE QD . . 4.980 4.266 4.105 4.535 . 0 0 "[ . 1 . 2]" 1
1500 1 90 PHE H 1 91 ASN H . . 4.690 4.334 4.072 4.618 . 0 0 "[ . 1 . 2]" 1
1501 1 90 PHE HA 1 90 PHE QD . . 4.110 2.647 2.192 3.180 . 0 0 "[ . 1 . 2]" 1
1502 1 90 PHE HA 1 91 ASN H . . 3.010 2.178 2.139 2.327 . 0 0 "[ . 1 . 2]" 1
1503 1 90 PHE QD 1 91 ASN H . . 4.340 3.339 2.596 3.984 . 0 0 "[ . 1 . 2]" 1
1504 1 90 PHE QE 1 92 TRP HA . . 4.460 3.612 2.593 4.465 0.005 6 0 "[ . 1 . 2]" 1
1505 1 90 PHE QE 1 95 TYR H . . 5.500 5.266 4.716 5.508 0.008 10 0 "[ . 1 . 2]" 1
1506 1 90 PHE QE 1 95 TYR QD . . 4.400 3.103 2.427 3.809 . 0 0 "[ . 1 . 2]" 1
1507 1 90 PHE HZ 1 92 TRP HA . . 4.760 4.148 3.634 4.675 . 0 0 "[ . 1 . 2]" 1
1508 1 91 ASN H 1 91 ASN HB2 . . 3.600 2.608 2.303 3.126 . 0 0 "[ . 1 . 2]" 1
1509 1 91 ASN HA 1 91 ASN HD21 . . 4.580 3.267 2.539 4.370 . 0 0 "[ . 1 . 2]" 1
1510 1 91 ASN HA 1 91 ASN QD . . 3.990 3.093 2.485 3.946 . 0 0 "[ . 1 . 2]" 1
1511 1 91 ASN HA 1 91 ASN HD22 . . 4.580 3.896 3.531 4.494 . 0 0 "[ . 1 . 2]" 1
1512 1 91 ASN HA 1 92 TRP H . . 3.460 2.159 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
1513 1 91 ASN HA 1 93 GLN H . . 4.760 4.603 4.436 4.767 0.007 6 0 "[ . 1 . 2]" 1
1514 1 91 ASN HA 1 94 THR H . . 4.890 4.502 4.336 4.767 . 0 0 "[ . 1 . 2]" 1
1515 1 91 ASN HB2 1 94 THR H . . 4.500 3.727 3.422 4.142 . 0 0 "[ . 1 . 2]" 1
1516 1 91 ASN HB2 1 94 THR HB . . 3.790 2.505 2.114 3.158 . 0 0 "[ . 1 . 2]" 1
1517 1 91 ASN HB2 1 94 THR MG . . 3.930 3.472 3.180 3.961 0.031 7 0 "[ . 1 . 2]" 1
1518 1 91 ASN HB3 1 91 ASN QD . . 3.210 2.230 2.099 2.660 . 0 0 "[ . 1 . 2]" 1
1519 1 91 ASN HB3 1 91 ASN HD22 . . 3.700 3.491 3.435 3.690 . 0 0 "[ . 1 . 2]" 1
1520 1 91 ASN HB3 1 92 TRP H . . 4.470 3.688 3.196 4.067 . 0 0 "[ . 1 . 2]" 1
1521 1 91 ASN HB3 1 93 GLN H . . 4.320 4.090 3.882 4.298 . 0 0 "[ . 1 . 2]" 1
1522 1 91 ASN HB3 1 94 THR H . . 3.930 2.469 2.344 2.660 . 0 0 "[ . 1 . 2]" 1
1523 1 91 ASN HB3 1 94 THR HB . . 3.810 2.653 1.992 3.186 . 0 0 "[ . 1 . 2]" 1
1524 1 91 ASN QD 1 92 TRP H . . 4.990 4.047 1.963 4.849 . 0 0 "[ . 1 . 2]" 1
1525 1 91 ASN QD 1 93 GLN H . . 4.680 4.388 2.436 4.673 . 0 0 "[ . 1 . 2]" 1
1526 1 91 ASN QD 1 94 THR MG . . 5.340 5.028 4.348 5.307 . 0 0 "[ . 1 . 2]" 1
1527 1 92 TRP H 1 92 TRP QB . . 3.550 2.240 2.157 2.320 . 0 0 "[ . 1 . 2]" 1
1528 1 92 TRP H 1 93 GLN H . . 3.980 3.207 2.956 3.369 . 0 0 "[ . 1 . 2]" 1
1529 1 92 TRP HA 1 92 TRP HE3 . . 3.610 2.703 2.519 2.911 . 0 0 "[ . 1 . 2]" 1
1530 1 92 TRP HA 1 95 TYR H . . 4.450 3.426 3.323 3.496 . 0 0 "[ . 1 . 2]" 1
1531 1 92 TRP HA 1 95 TYR QB . . 3.670 2.604 2.490 2.775 . 0 0 "[ . 1 . 2]" 1
1532 1 92 TRP HA 1 95 TYR QD . . 4.580 3.535 3.329 3.828 . 0 0 "[ . 1 . 2]" 1
1533 1 92 TRP HA 1 96 LEU H . . 4.260 4.170 4.089 4.247 . 0 0 "[ . 1 . 2]" 1
1534 1 92 TRP HA 1 96 LEU HG . . 4.200 3.421 3.326 3.583 . 0 0 "[ . 1 . 2]" 1
1535 1 92 TRP QB 1 93 GLN QG . . 4.310 3.596 3.522 3.840 . 0 0 "[ . 1 . 2]" 1
1536 1 92 TRP QB 1 96 LEU MD1 . . 3.800 2.181 1.956 2.282 . 0 0 "[ . 1 . 2]" 1
1537 1 92 TRP HB2 1 93 GLN H . . 3.730 2.363 2.345 2.392 . 0 0 "[ . 1 . 2]" 1
1538 1 92 TRP HB2 1 96 LEU MD1 . . 4.650 3.574 3.325 3.669 . 0 0 "[ . 1 . 2]" 1
1539 1 92 TRP HB3 1 93 GLN H . . 3.730 2.574 2.537 2.642 . 0 0 "[ . 1 . 2]" 1
1540 1 92 TRP HB3 1 96 LEU MD1 . . 4.650 2.201 1.970 2.305 . 0 0 "[ . 1 . 2]" 1
1541 1 92 TRP HE3 1 96 LEU H . . 4.700 4.629 4.444 4.704 0.004 3 0 "[ . 1 . 2]" 1
1542 1 92 TRP HE3 1 96 LEU MD1 . . 3.870 2.477 2.252 2.745 . 0 0 "[ . 1 . 2]" 1
1543 1 92 TRP HE3 1 96 LEU MD2 . . 3.710 2.372 2.013 2.695 . 0 0 "[ . 1 . 2]" 1
1544 1 92 TRP HE3 1 96 LEU HG . . 3.950 2.512 2.388 2.665 . 0 0 "[ . 1 . 2]" 1
1545 1 92 TRP HZ3 1 96 LEU MD2 . . 3.580 2.662 2.494 2.963 . 0 0 "[ . 1 . 2]" 1
1546 1 93 GLN H 1 93 GLN HB2 . . 3.810 3.599 3.564 3.612 . 0 0 "[ . 1 . 2]" 1
1547 1 93 GLN H 1 93 GLN HB3 . . 3.000 2.670 2.610 2.874 . 0 0 "[ . 1 . 2]" 1
1548 1 93 GLN H 1 93 GLN QG . . 3.410 1.972 1.889 2.247 . 0 0 "[ . 1 . 2]" 1
1549 1 93 GLN HA 1 93 GLN QG . . 3.370 3.329 3.309 3.413 0.043 2 0 "[ . 1 . 2]" 1
1550 1 93 GLN HA 1 96 LEU H . . 4.710 3.334 3.231 3.460 . 0 0 "[ . 1 . 2]" 1
1551 1 93 GLN HA 1 96 LEU HB2 . . 4.450 2.548 2.266 2.683 . 0 0 "[ . 1 . 2]" 1
1552 1 93 GLN HA 1 96 LEU HB3 . . 4.700 4.194 3.907 4.312 . 0 0 "[ . 1 . 2]" 1
1553 1 93 GLN HA 1 96 LEU MD1 . . 3.550 2.015 1.965 2.097 . 0 0 "[ . 1 . 2]" 1
1554 1 93 GLN HB2 1 94 THR H . . 3.590 3.347 3.053 3.531 . 0 0 "[ . 1 . 2]" 1
1555 1 93 GLN HB2 1 95 TYR H . . 5.460 5.375 5.257 5.461 0.001 20 0 "[ . 1 . 2]" 1
1556 1 93 GLN QE 1 96 LEU MD1 . . 4.900 4.683 4.210 4.901 0.001 1 0 "[ . 1 . 2]" 1
1557 1 93 GLN QG 1 94 THR H . . 4.140 1.992 1.830 2.111 . 0 0 "[ . 1 . 2]" 1
1558 1 93 GLN QG 1 94 THR MG . . 4.670 4.441 4.304 4.662 . 0 0 "[ . 1 . 2]" 1
1559 1 93 GLN QG 1 95 TYR H . . 4.680 4.237 4.116 4.343 . 0 0 "[ . 1 . 2]" 1
1560 1 93 GLN QG 1 96 LEU HB2 . . 5.480 5.401 5.280 5.469 . 0 0 "[ . 1 . 2]" 1
1561 1 93 GLN QG 1 96 LEU MD1 . . 4.230 4.220 4.033 4.238 0.008 10 0 "[ . 1 . 2]" 1
1562 1 94 THR H 1 94 THR HB . . 3.140 2.662 2.514 2.843 . 0 0 "[ . 1 . 2]" 1
1563 1 94 THR H 1 94 THR MG . . 3.880 3.756 3.713 3.768 . 0 0 "[ . 1 . 2]" 1
1564 1 94 THR H 1 95 TYR H . . 3.330 2.690 2.622 2.809 . 0 0 "[ . 1 . 2]" 1
1565 1 94 THR H 1 96 LEU H . . 4.810 3.906 3.855 3.965 . 0 0 "[ . 1 . 2]" 1
1566 1 94 THR HA 1 94 THR MG . . 3.000 2.379 2.287 2.480 . 0 0 "[ . 1 . 2]" 1
1567 1 94 THR HA 1 97 LYS H . . 3.790 3.514 3.403 3.672 . 0 0 "[ . 1 . 2]" 1
1568 1 94 THR HA 1 97 LYS QB . . 3.420 3.269 3.100 3.376 . 0 0 "[ . 1 . 2]" 1
1569 1 94 THR HA 1 97 LYS QD . . 5.040 4.417 4.140 4.726 . 0 0 "[ . 1 . 2]" 1
1570 1 94 THR HB 1 95 TYR H . . 3.320 2.695 2.548 2.892 . 0 0 "[ . 1 . 2]" 1
1571 1 94 THR MG 1 95 TYR H . . 4.070 3.693 3.538 3.777 . 0 0 "[ . 1 . 2]" 1
1572 1 94 THR MG 1 95 TYR HA . . 4.050 3.756 3.477 3.992 . 0 0 "[ . 1 . 2]" 1
1573 1 94 THR MG 1 96 LEU H . . 4.980 4.916 4.841 4.981 0.001 4 0 "[ . 1 . 2]" 1
1574 1 94 THR MG 1 97 LYS H . . 4.750 4.551 4.378 4.686 . 0 0 "[ . 1 . 2]" 1
1575 1 94 THR MG 1 97 LYS QB . . 4.620 4.575 4.296 4.623 0.003 7 0 "[ . 1 . 2]" 1
1576 1 94 THR MG 1 97 LYS QE . . 4.740 3.556 2.772 4.715 . 0 0 "[ . 1 . 2]" 1
1577 1 94 THR MG 1 98 THR H . . 4.560 4.202 3.993 4.538 . 0 0 "[ . 1 . 2]" 1
1578 1 95 TYR H 1 95 TYR QB . . 3.000 2.252 2.226 2.297 . 0 0 "[ . 1 . 2]" 1
1579 1 95 TYR H 1 95 TYR QD . . 4.310 4.196 4.177 4.227 . 0 0 "[ . 1 . 2]" 1
1580 1 95 TYR H 1 96 LEU H . . 3.570 2.404 2.268 2.499 . 0 0 "[ . 1 . 2]" 1
1581 1 95 TYR H 1 96 LEU HG . . 5.000 3.943 3.807 4.143 . 0 0 "[ . 1 . 2]" 1
1582 1 95 TYR H 1 97 LYS H . . 4.770 3.868 3.780 3.974 . 0 0 "[ . 1 . 2]" 1
1583 1 95 TYR H 1 97 LYS QB . . 5.320 5.250 5.085 5.322 0.002 4 0 "[ . 1 . 2]" 1
1584 1 95 TYR HA 1 95 TYR QD . . 3.650 2.133 2.027 2.243 . 0 0 "[ . 1 . 2]" 1
1585 1 95 TYR QB 1 96 LEU H . . 3.620 3.003 2.918 3.093 . 0 0 "[ . 1 . 2]" 1
1586 1 95 TYR QB 1 96 LEU HA . . 5.130 4.374 4.296 4.441 . 0 0 "[ . 1 . 2]" 1
1587 1 95 TYR QB 1 96 LEU MD1 . . 4.650 4.252 4.189 4.356 . 0 0 "[ . 1 . 2]" 1
1588 1 95 TYR QB 1 98 THR MG . . 5.100 3.833 3.678 4.045 . 0 0 "[ . 1 . 2]" 1
1589 1 95 TYR QD 1 96 LEU H . . 4.440 4.354 4.287 4.426 . 0 0 "[ . 1 . 2]" 1
1590 1 95 TYR QD 1 98 THR MG . . 4.500 2.381 2.193 2.676 . 0 0 "[ . 1 . 2]" 1
1591 1 95 TYR QD 1 99 CYS H . . 4.340 4.211 3.912 4.332 . 0 0 "[ . 1 . 2]" 1
1592 1 96 LEU H 1 96 LEU HB2 . . 3.640 2.534 2.462 2.574 . 0 0 "[ . 1 . 2]" 1
1593 1 96 LEU H 1 96 LEU HB3 . . 3.820 3.638 3.623 3.656 . 0 0 "[ . 1 . 2]" 1
1594 1 96 LEU H 1 96 LEU MD1 . . 3.720 3.225 3.179 3.290 . 0 0 "[ . 1 . 2]" 1
1595 1 96 LEU H 1 96 LEU MD2 . . 4.070 3.813 3.751 3.926 . 0 0 "[ . 1 . 2]" 1
1596 1 96 LEU H 1 96 LEU HG . . 3.340 2.415 2.327 2.571 . 0 0 "[ . 1 . 2]" 1
1597 1 96 LEU H 1 97 LYS H . . 3.490 2.290 2.232 2.359 . 0 0 "[ . 1 . 2]" 1
1598 1 96 LEU H 1 97 LYS QB . . 4.660 4.155 4.076 4.223 . 0 0 "[ . 1 . 2]" 1
1599 1 96 LEU HA 1 96 LEU MD1 . . 4.020 3.953 3.928 3.967 . 0 0 "[ . 1 . 2]" 1
1600 1 96 LEU HA 1 96 LEU MD2 . . 3.060 2.493 2.376 2.632 . 0 0 "[ . 1 . 2]" 1
1601 1 96 LEU HA 1 96 LEU HG . . 3.770 2.914 2.850 2.955 . 0 0 "[ . 1 . 2]" 1
1602 1 96 LEU HA 1 98 THR H . . 5.080 4.397 4.314 4.477 . 0 0 "[ . 1 . 2]" 1
1603 1 96 LEU HA 1 99 CYS H . . 4.130 3.662 3.537 3.810 . 0 0 "[ . 1 . 2]" 1
1604 1 96 LEU HA 1 99 CYS QB . . 4.260 3.425 2.815 4.112 . 0 0 "[ . 1 . 2]" 1
1605 1 96 LEU HA 1 101 ALA H . . 4.070 3.063 2.662 3.374 . 0 0 "[ . 1 . 2]" 1
1606 1 96 LEU HA 1 101 ALA MB . . 3.710 3.003 2.242 3.521 . 0 0 "[ . 1 . 2]" 1
1607 1 96 LEU HB2 1 96 LEU MD1 . . 3.320 2.196 2.128 2.215 . 0 0 "[ . 1 . 2]" 1
1608 1 96 LEU HB2 1 97 LYS H . . 3.670 3.168 3.021 3.270 . 0 0 "[ . 1 . 2]" 1
1609 1 96 LEU HB3 1 96 LEU MD1 . . 3.200 2.595 2.568 2.611 . 0 0 "[ . 1 . 2]" 1
1610 1 96 LEU HB3 1 96 LEU MD2 . . 3.280 2.115 2.017 2.228 . 0 0 "[ . 1 . 2]" 1
1611 1 96 LEU HB3 1 97 LYS H . . 4.380 4.129 4.014 4.189 . 0 0 "[ . 1 . 2]" 1
1612 1 96 LEU HB3 1 101 ALA H . . 4.040 3.860 3.541 4.041 0.001 18 0 "[ . 1 . 2]" 1
1613 1 96 LEU HB3 1 103 ALA MB . . 5.330 4.580 4.251 4.804 . 0 0 "[ . 1 . 2]" 1
1614 1 96 LEU MD1 1 97 LYS H . . 4.820 4.590 4.468 4.718 . 0 0 "[ . 1 . 2]" 1
1615 1 96 LEU MD1 1 102 GLN HA . . 4.870 4.588 4.211 4.870 . 0 0 "[ . 1 . 2]" 1
1616 1 96 LEU MD1 1 103 ALA H . . 4.130 3.849 3.203 4.127 . 0 0 "[ . 1 . 2]" 1
1617 1 96 LEU MD1 1 103 ALA HA . . 5.020 4.401 4.044 4.650 . 0 0 "[ . 1 . 2]" 1
1618 1 96 LEU MD1 1 103 ALA MB . . 3.340 2.758 2.398 3.030 . 0 0 "[ . 1 . 2]" 1
1619 1 96 LEU MD2 1 97 LYS H . . 5.150 4.973 4.946 5.006 . 0 0 "[ . 1 . 2]" 1
1620 1 96 LEU MD2 1 101 ALA H . . 4.240 4.066 3.753 4.240 . 9 0 "[ . 1 . 2]" 1
1621 1 96 LEU MD2 1 101 ALA MB . . 3.250 2.692 2.051 3.178 . 0 0 "[ . 1 . 2]" 1
1622 1 96 LEU MD2 1 102 GLN H . . 4.850 4.362 3.974 4.681 . 0 0 "[ . 1 . 2]" 1
1623 1 96 LEU MD2 1 103 ALA H . . 3.990 3.190 2.631 3.681 . 0 0 "[ . 1 . 2]" 1
1624 1 96 LEU MD2 1 103 ALA HA . . 4.070 3.087 2.655 3.443 . 0 0 "[ . 1 . 2]" 1
1625 1 96 LEU MD2 1 103 ALA MB . . 3.590 2.520 2.132 2.744 . 0 0 "[ . 1 . 2]" 1
1626 1 96 LEU HG 1 97 LYS H . . 4.670 4.409 4.335 4.521 . 0 0 "[ . 1 . 2]" 1
1627 1 97 LYS H 1 97 LYS QB . . 2.730 2.418 2.353 2.492 . 0 0 "[ . 1 . 2]" 1
1628 1 97 LYS H 1 97 LYS QD . . 4.230 4.136 4.050 4.195 . 0 0 "[ . 1 . 2]" 1
1629 1 97 LYS H 1 97 LYS HG2 . . 3.580 3.545 3.486 3.581 0.001 17 0 "[ . 1 . 2]" 1
1630 1 97 LYS H 1 97 LYS HG3 . . 4.210 2.601 2.521 2.693 . 0 0 "[ . 1 . 2]" 1
1631 1 97 LYS H 1 98 THR H . . 3.270 2.258 2.183 2.365 . 0 0 "[ . 1 . 2]" 1
1632 1 97 LYS H 1 98 THR HB . . 4.770 4.543 4.369 4.732 . 0 0 "[ . 1 . 2]" 1
1633 1 97 LYS H 1 99 CYS H . . 4.370 3.731 3.638 3.837 . 0 0 "[ . 1 . 2]" 1
1634 1 97 LYS HA 1 97 LYS QD . . 3.760 3.478 3.401 3.538 . 0 0 "[ . 1 . 2]" 1
1635 1 97 LYS HA 1 97 LYS HG3 . . 3.770 3.630 3.622 3.646 . 0 0 "[ . 1 . 2]" 1
1636 1 97 LYS HA 1 100 LYS H . . 3.850 3.489 3.214 3.689 . 0 0 "[ . 1 . 2]" 1
1637 1 97 LYS HA 1 100 LYS HA . . 4.260 3.414 3.165 3.904 . 0 0 "[ . 1 . 2]" 1
1638 1 97 LYS HA 1 101 ALA H . . 5.370 4.446 3.993 4.754 . 0 0 "[ . 1 . 2]" 1
1639 1 97 LYS QB 1 97 LYS QE . . 3.900 3.264 2.030 3.755 . 0 0 "[ . 1 . 2]" 1
1640 1 97 LYS QB 1 98 THR H . . 3.450 3.440 3.422 3.468 0.018 15 0 "[ . 1 . 2]" 1
1641 1 97 LYS QB 1 98 THR HA . . 4.840 4.604 4.571 4.639 . 0 0 "[ . 1 . 2]" 1
1642 1 97 LYS QB 1 98 THR HB . . 5.400 5.009 4.879 5.067 . 0 0 "[ . 1 . 2]" 1
1643 1 97 LYS QD 1 98 THR H . . 4.320 3.160 2.937 3.349 . 0 0 "[ . 1 . 2]" 1
1644 1 97 LYS QD 1 98 THR HA . . 3.860 2.556 2.275 2.740 . 0 0 "[ . 1 . 2]" 1
1645 1 97 LYS QD 1 99 CYS H . . 4.850 4.781 4.651 4.852 0.002 17 0 "[ . 1 . 2]" 1
1646 1 97 LYS QE 1 97 LYS HG2 . . 3.670 2.421 2.141 2.811 . 0 0 "[ . 1 . 2]" 1
1647 1 97 LYS QE 1 97 LYS HG3 . . 3.400 2.740 2.337 3.405 0.005 9 0 "[ . 1 . 2]" 1
1648 1 97 LYS HG2 1 98 THR HB . . 5.080 4.493 4.296 4.615 . 0 0 "[ . 1 . 2]" 1
1649 1 97 LYS HG3 1 98 THR H . . 4.130 1.971 1.901 2.085 . 0 0 "[ . 1 . 2]" 1
1650 1 97 LYS HG3 1 98 THR HA . . 3.890 3.503 3.425 3.587 . 0 0 "[ . 1 . 2]" 1
1651 1 97 LYS HG3 1 98 THR HB . . 4.530 3.003 2.836 3.089 . 0 0 "[ . 1 . 2]" 1
1652 1 98 THR H 1 98 THR HB . . 3.100 2.506 2.403 2.621 . 0 0 "[ . 1 . 2]" 1
1653 1 98 THR H 1 98 THR MG . . 3.380 2.267 2.008 2.476 . 0 0 "[ . 1 . 2]" 1
1654 1 98 THR H 1 99 CYS H . . 3.370 2.472 2.339 2.577 . 0 0 "[ . 1 . 2]" 1
1655 1 98 THR H 1 100 LYS H . . 4.590 3.819 3.651 4.031 . 0 0 "[ . 1 . 2]" 1
1656 1 98 THR HA 1 98 THR MG . . 3.200 3.192 3.173 3.204 0.004 15 0 "[ . 1 . 2]" 1
1657 1 98 THR HB 1 99 CYS H . . 4.070 3.917 3.811 4.052 . 0 0 "[ . 1 . 2]" 1
1658 1 98 THR MG 1 99 CYS H . . 3.540 2.097 1.906 2.311 . 0 0 "[ . 1 . 2]" 1
1659 1 98 THR MG 1 99 CYS HA . . 3.910 3.350 3.121 3.530 . 0 0 "[ . 1 . 2]" 1
1660 1 98 THR MG 1 99 CYS HB2 . . 4.570 2.929 2.480 4.229 . 0 0 "[ . 1 . 2]" 1
1661 1 98 THR MG 1 99 CYS QB . . 3.880 2.804 2.446 3.192 . 0 0 "[ . 1 . 2]" 1
1662 1 98 THR MG 1 99 CYS HB3 . . 4.570 4.000 2.826 4.350 . 0 0 "[ . 1 . 2]" 1
1663 1 99 CYS H 1 99 CYS HB2 . . 3.730 2.422 2.193 3.683 . 0 0 "[ . 1 . 2]" 1
1664 1 99 CYS H 1 99 CYS QB . . 3.110 2.319 2.171 2.683 . 0 0 "[ . 1 . 2]" 1
1665 1 99 CYS H 1 99 CYS HB3 . . 3.730 3.363 2.757 3.623 . 0 0 "[ . 1 . 2]" 1
1666 1 99 CYS H 1 100 LYS H . . 3.330 2.367 2.120 2.608 . 0 0 "[ . 1 . 2]" 1
1667 1 99 CYS H 1 100 LYS QD . . 4.560 3.772 3.323 4.087 . 0 0 "[ . 1 . 2]" 1
1668 1 99 CYS HA 1 100 LYS QE . . 4.260 3.709 2.888 4.261 0.001 15 0 "[ . 1 . 2]" 1
1669 1 99 CYS HA 1 100 LYS QG . . 4.510 4.004 3.156 4.535 0.025 9 0 "[ . 1 . 2]" 1
1670 1 99 CYS HA 1 101 ALA H . . 5.500 4.663 4.399 5.063 . 0 0 "[ . 1 . 2]" 1
1671 1 99 CYS QB 1 100 LYS QD . . 4.650 4.054 3.845 4.640 . 0 0 "[ . 1 . 2]" 1
1672 1 99 CYS QB 1 101 ALA H . . 3.710 3.194 2.721 3.688 . 0 0 "[ . 1 . 2]" 1
1673 1 99 CYS QB 1 101 ALA MB . . 3.350 2.612 2.281 3.055 . 0 0 "[ . 1 . 2]" 1
1674 1 99 CYS HB2 1 100 LYS H . . 4.250 3.872 3.260 4.199 . 0 0 "[ . 1 . 2]" 1
1675 1 99 CYS HB2 1 101 ALA H . . 4.470 3.793 3.381 4.463 . 0 0 "[ . 1 . 2]" 1
1676 1 99 CYS HB3 1 100 LYS H . . 4.250 3.976 3.070 4.265 0.015 9 0 "[ . 1 . 2]" 1
1677 1 99 CYS HB3 1 101 ALA H . . 4.470 3.587 2.751 4.471 0.001 15 0 "[ . 1 . 2]" 1
1678 1 100 LYS H 1 100 LYS HA . . 2.820 2.298 2.274 2.325 . 0 0 "[ . 1 . 2]" 1
1679 1 100 LYS H 1 100 LYS HD2 . . 3.890 3.091 2.273 3.628 . 0 0 "[ . 1 . 2]" 1
1680 1 100 LYS H 1 100 LYS HD3 . . 3.890 2.868 1.920 3.879 . 0 0 "[ . 1 . 2]" 1
1681 1 100 LYS H 1 100 LYS QE . . 4.550 4.239 3.667 4.474 . 0 0 "[ . 1 . 2]" 1
1682 1 100 LYS H 1 100 LYS QG . . 3.430 3.054 2.565 3.431 0.001 3 0 "[ . 1 . 2]" 1
1683 1 100 LYS H 1 101 ALA H . . 3.040 2.870 2.547 3.047 0.007 3 0 "[ . 1 . 2]" 1
1684 1 100 LYS HA 1 100 LYS HD2 . . 4.290 3.793 2.483 4.326 0.036 9 0 "[ . 1 . 2]" 1
1685 1 100 LYS HA 1 100 LYS QD . . 3.510 3.326 2.279 3.520 0.010 3 0 "[ . 1 . 2]" 1
1686 1 100 LYS HA 1 100 LYS HD3 . . 4.290 3.772 2.457 4.291 0.001 20 0 "[ . 1 . 2]" 1
1687 1 100 LYS HA 1 100 LYS QG . . 3.580 2.948 2.467 3.466 . 0 0 "[ . 1 . 2]" 1
1688 1 100 LYS HA 1 101 ALA H . . 3.090 2.798 2.685 2.944 . 0 0 "[ . 1 . 2]" 1
1689 1 100 LYS QE 1 100 LYS QG . . 3.210 2.233 2.017 2.412 . 0 0 "[ . 1 . 2]" 1
1690 1 101 ALA H 1 101 ALA MB . . 3.030 2.318 2.132 2.465 . 0 0 "[ . 1 . 2]" 1
1691 1 101 ALA H 1 102 GLN H . . 4.670 4.533 4.479 4.604 . 0 0 "[ . 1 . 2]" 1
1692 1 101 ALA HA 1 102 GLN H . . 2.870 2.336 2.191 2.515 . 0 0 "[ . 1 . 2]" 1
1693 1 101 ALA MB 1 102 GLN H . . 3.160 2.596 2.272 2.961 . 0 0 "[ . 1 . 2]" 1
1694 1 101 ALA MB 1 102 GLN QB . . 5.120 4.512 4.263 4.789 . 0 0 "[ . 1 . 2]" 1
1695 1 102 GLN H 1 102 GLN HB2 . . 3.750 3.053 2.261 3.761 0.011 9 0 "[ . 1 . 2]" 1
1696 1 102 GLN H 1 102 GLN QB . . 3.130 2.601 2.236 2.846 . 0 0 "[ . 1 . 2]" 1
1697 1 102 GLN H 1 102 GLN HB3 . . 3.750 3.315 2.736 3.745 . 0 0 "[ . 1 . 2]" 1
1698 1 102 GLN H 1 102 GLN HG2 . . 4.140 3.163 1.949 4.140 0.000 14 0 "[ . 1 . 2]" 1
1699 1 102 GLN H 1 102 GLN QG . . 3.510 2.555 1.929 3.157 . 0 0 "[ . 1 . 2]" 1
1700 1 102 GLN H 1 102 GLN HG3 . . 4.140 3.194 2.761 4.045 . 0 0 "[ . 1 . 2]" 1
1701 1 102 GLN H 1 103 ALA H . . 4.720 4.432 4.237 4.567 . 0 0 "[ . 1 . 2]" 1
1702 1 102 GLN HA 1 102 GLN HG2 . . 3.790 3.097 2.329 3.781 . 0 0 "[ . 1 . 2]" 1
1703 1 102 GLN HA 1 102 GLN HG3 . . 3.790 3.343 2.824 3.790 0.000 17 0 "[ . 1 . 2]" 1
1704 1 102 GLN HA 1 103 ALA H . . 2.810 2.196 2.139 2.328 . 0 0 "[ . 1 . 2]" 1
1705 1 102 GLN HA 1 103 ALA MB . . 4.080 3.967 3.921 4.001 . 0 0 "[ . 1 . 2]" 1
1706 1 102 GLN QB 1 103 ALA H . . 3.420 3.048 2.624 3.422 0.002 10 0 "[ . 1 . 2]" 1
1707 1 102 GLN QB 1 103 ALA MB . . 5.340 4.359 4.179 4.537 . 0 0 "[ . 1 . 2]" 1
1708 1 102 GLN QG 1 103 ALA H . . 4.220 3.942 3.411 4.207 . 0 0 "[ . 1 . 2]" 1
1709 1 102 GLN HG2 1 103 ALA H . . 5.020 4.524 3.771 5.020 0.000 16 0 "[ . 1 . 2]" 1
1710 1 102 GLN HG3 1 103 ALA H . . 5.020 4.534 3.540 5.014 . 0 0 "[ . 1 . 2]" 1
1711 1 103 ALA H 1 103 ALA MB . . 3.000 2.146 2.040 2.267 . 0 0 "[ . 1 . 2]" 1
1712 1 103 ALA H 1 104 ALA H . . 4.680 4.583 4.507 4.634 . 0 0 "[ . 1 . 2]" 1
1713 1 103 ALA HA 1 104 ALA H . . 3.190 2.209 2.151 2.326 . 0 0 "[ . 1 . 2]" 1
1714 1 103 ALA HA 1 104 ALA MB . . 4.290 4.013 3.969 4.079 . 0 0 "[ . 1 . 2]" 1
1715 1 103 ALA MB 1 104 ALA H . . 3.700 2.914 2.546 3.150 . 0 0 "[ . 1 . 2]" 1
1716 1 103 ALA MB 1 104 ALA MB . . 4.160 3.988 3.857 4.105 . 0 0 "[ . 1 . 2]" 1
1717 1 104 ALA H 1 104 ALA MB . . 3.290 2.136 2.025 2.249 . 0 0 "[ . 1 . 2]" 1
1718 1 104 ALA H 1 105 PRO HD3 . . 5.020 4.920 4.812 4.975 . 0 0 "[ . 1 . 2]" 1
1719 1 104 ALA HA 1 105 PRO HD2 . . 3.490 2.261 2.167 2.371 . 0 0 "[ . 1 . 2]" 1
1720 1 104 ALA HA 1 105 PRO HD3 . . 3.430 2.262 2.253 2.289 . 0 0 "[ . 1 . 2]" 1
1721 1 104 ALA HA 1 105 PRO QG . . 4.260 3.919 3.867 3.984 . 0 0 "[ . 1 . 2]" 1
1722 1 104 ALA HA 1 108 LEU MD1 . . 4.190 3.623 3.413 3.897 . 0 0 "[ . 1 . 2]" 1
1723 1 104 ALA MB 1 105 PRO HA . . 4.720 4.463 4.430 4.517 . 0 0 "[ . 1 . 2]" 1
1724 1 104 ALA MB 1 105 PRO HD2 . . 3.840 2.342 2.072 2.486 . 0 0 "[ . 1 . 2]" 1
1725 1 104 ALA MB 1 105 PRO HD3 . . 4.170 3.453 3.276 3.565 . 0 0 "[ . 1 . 2]" 1
1726 1 104 ALA MB 1 108 LEU HB2 . . 4.090 3.753 3.569 4.002 . 0 0 "[ . 1 . 2]" 1
1727 1 104 ALA MB 1 108 LEU MD1 . . 3.230 2.320 1.990 2.614 . 0 0 "[ . 1 . 2]" 1
1728 1 104 ALA MB 1 108 LEU MD2 . . 4.910 4.619 4.317 4.802 . 0 0 "[ . 1 . 2]" 1
1729 1 104 ALA MB 1 109 PHE QE . . 3.070 2.505 2.212 3.019 . 0 0 "[ . 1 . 2]" 1
1730 1 104 ALA MB 1 109 PHE HZ . . 3.230 3.150 2.952 3.235 0.005 12 0 "[ . 1 . 2]" 1
1731 1 105 PRO HA 1 106 LYS H . . 2.950 2.230 2.150 2.424 . 0 0 "[ . 1 . 2]" 1
1732 1 105 PRO HA 1 106 LYS QG . . 5.080 4.211 3.871 4.924 . 0 0 "[ . 1 . 2]" 1
1733 1 105 PRO HA 1 107 SER H . . 4.540 3.882 3.512 4.323 . 0 0 "[ . 1 . 2]" 1
1734 1 105 PRO HB2 1 107 SER H . . 3.640 2.515 2.218 2.710 . 0 0 "[ . 1 . 2]" 1
1735 1 105 PRO HB2 1 107 SER QB . . 4.530 3.064 2.293 3.593 . 0 0 "[ . 1 . 2]" 1
1736 1 105 PRO HB2 1 108 LEU H . . 3.870 3.263 3.097 3.422 . 0 0 "[ . 1 . 2]" 1
1737 1 105 PRO HB2 1 108 LEU HB2 . . 4.840 4.707 4.502 4.839 . 0 0 "[ . 1 . 2]" 1
1738 1 105 PRO HB2 1 108 LEU MD1 . . 4.430 4.286 3.863 4.433 0.003 13 0 "[ . 1 . 2]" 1
1739 1 105 PRO HB2 1 108 LEU HG . . 4.080 3.946 3.787 4.083 0.003 16 0 "[ . 1 . 2]" 1
1740 1 105 PRO HB3 1 106 LYS H . . 4.050 3.760 3.421 4.064 0.014 13 0 "[ . 1 . 2]" 1
1741 1 105 PRO HB3 1 107 SER H . . 4.360 4.064 3.859 4.242 . 0 0 "[ . 1 . 2]" 1
1742 1 105 PRO HB3 1 108 LEU HG . . 5.270 5.023 4.903 5.133 . 0 0 "[ . 1 . 2]" 1
1743 1 105 PRO HD2 1 108 LEU HB2 . . 4.810 4.124 3.942 4.399 . 0 0 "[ . 1 . 2]" 1
1744 1 105 PRO HD2 1 108 LEU MD1 . . 3.570 1.966 1.837 2.039 . 0 0 "[ . 1 . 2]" 1
1745 1 105 PRO HD2 1 108 LEU MD2 . . 5.370 4.411 4.217 4.613 . 0 0 "[ . 1 . 2]" 1
1746 1 105 PRO HD2 1 108 LEU HG . . 4.480 3.570 3.347 3.815 . 0 0 "[ . 1 . 2]" 1
1747 1 105 PRO HD3 1 108 LEU MD1 . . 3.860 3.414 3.097 3.564 . 0 0 "[ . 1 . 2]" 1
1748 1 105 PRO QG 1 108 LEU HA . . 4.580 4.513 4.396 4.585 0.005 3 0 "[ . 1 . 2]" 1
1749 1 105 PRO QG 1 108 LEU HB2 . . 4.470 3.366 3.094 3.550 . 0 0 "[ . 1 . 2]" 1
1750 1 105 PRO QG 1 108 LEU MD1 . . 3.970 2.311 1.914 2.516 . 0 0 "[ . 1 . 2]" 1
1751 1 105 PRO QG 1 108 LEU MD2 . . 3.870 3.560 3.472 3.660 . 0 0 "[ . 1 . 2]" 1
1752 1 105 PRO QG 1 108 LEU HG . . 3.970 2.101 1.991 2.225 . 0 0 "[ . 1 . 2]" 1
1753 1 106 LYS H 1 106 LYS QB . . 3.110 2.479 2.284 2.614 . 0 0 "[ . 1 . 2]" 1
1754 1 106 LYS H 1 106 LYS QD . . 4.110 3.459 1.796 4.106 . 0 0 "[ . 1 . 2]" 1
1755 1 106 LYS H 1 106 LYS HG2 . . 4.340 2.420 1.970 3.366 . 0 0 "[ . 1 . 2]" 1
1756 1 106 LYS H 1 106 LYS QG . . 3.760 2.314 1.952 3.215 . 0 0 "[ . 1 . 2]" 1
1757 1 106 LYS H 1 106 LYS HG3 . . 4.340 3.395 2.287 4.076 . 0 0 "[ . 1 . 2]" 1
1758 1 106 LYS H 1 107 SER H . . 3.950 2.572 2.360 2.817 . 0 0 "[ . 1 . 2]" 1
1759 1 106 LYS HA 1 106 LYS QG . . 3.730 3.356 3.336 3.450 . 0 0 "[ . 1 . 2]" 1
1760 1 106 LYS HA 1 108 LEU H . . 4.380 3.941 3.622 4.383 0.003 11 0 "[ . 1 . 2]" 1
1761 1 106 LYS HA 1 109 PHE H . . 4.310 3.430 3.224 3.710 . 0 0 "[ . 1 . 2]" 1
1762 1 106 LYS HA 1 109 PHE QD . . 3.350 2.344 2.122 2.539 . 0 0 "[ . 1 . 2]" 1
1763 1 106 LYS HA 1 109 PHE QE . . 4.040 3.664 3.116 3.976 . 0 0 "[ . 1 . 2]" 1
1764 1 106 LYS QB 1 106 LYS QE . . 3.600 3.030 2.163 3.602 0.002 14 0 "[ . 1 . 2]" 1
1765 1 106 LYS QB 1 107 SER H . . 4.160 3.587 3.444 3.763 . 0 0 "[ . 1 . 2]" 1
1766 1 106 LYS QB 1 109 PHE H . . 4.960 4.473 4.337 4.626 . 0 0 "[ . 1 . 2]" 1
1767 1 106 LYS QB 1 109 PHE QD . . 4.170 3.973 3.701 4.171 0.001 18 0 "[ . 1 . 2]" 1
1768 1 106 LYS QE 1 106 LYS QG . . 3.360 2.185 2.069 2.511 . 0 0 "[ . 1 . 2]" 1
1769 1 106 LYS QG 1 107 SER H . . 4.570 2.384 2.163 2.804 . 0 0 "[ . 1 . 2]" 1
1770 1 106 LYS QG 1 107 SER HA . . 4.910 3.216 2.944 3.776 . 0 0 "[ . 1 . 2]" 1
1771 1 107 SER H 1 107 SER QB . . 3.320 2.389 2.173 2.598 . 0 0 "[ . 1 . 2]" 1
1772 1 107 SER H 1 108 LEU H . . 4.040 2.789 2.560 3.015 . 0 0 "[ . 1 . 2]" 1
1773 1 107 SER HA 1 109 PHE H . . 4.330 3.940 3.578 4.267 . 0 0 "[ . 1 . 2]" 1
1774 1 107 SER HA 1 110 GLU H . . 4.680 4.197 3.667 4.635 . 0 0 "[ . 1 . 2]" 1
1775 1 107 SER QB 1 108 LEU H . . 3.620 3.037 2.302 3.596 . 0 0 "[ . 1 . 2]" 1
1776 1 108 LEU H 1 108 LEU HB2 . . 3.300 2.318 2.207 2.449 . 0 0 "[ . 1 . 2]" 1
1777 1 108 LEU H 1 108 LEU HB3 . . 3.650 3.554 3.510 3.602 . 0 0 "[ . 1 . 2]" 1
1778 1 108 LEU H 1 108 LEU MD1 . . 3.830 3.584 3.363 3.820 . 0 0 "[ . 1 . 2]" 1
1779 1 108 LEU H 1 108 LEU MD2 . . 3.840 3.721 3.500 3.840 . 0 0 "[ . 1 . 2]" 1
1780 1 108 LEU H 1 108 LEU HG . . 3.270 2.597 2.400 2.862 . 0 0 "[ . 1 . 2]" 1
1781 1 108 LEU H 1 109 PHE QD . . 3.960 3.549 3.248 3.801 . 0 0 "[ . 1 . 2]" 1
1782 1 108 LEU H 1 109 PHE QE . . 4.910 4.415 3.939 4.872 . 0 0 "[ . 1 . 2]" 1
1783 1 108 LEU HA 1 108 LEU MD1 . . 4.060 3.848 3.810 3.870 . 0 0 "[ . 1 . 2]" 1
1784 1 108 LEU HA 1 108 LEU MD2 . . 2.940 2.107 1.969 2.241 . 0 0 "[ . 1 . 2]" 1
1785 1 108 LEU HA 1 108 LEU HG . . 3.970 2.829 2.736 2.910 . 0 0 "[ . 1 . 2]" 1
1786 1 108 LEU HA 1 110 GLU H . . 4.830 3.988 3.714 4.297 . 0 0 "[ . 1 . 2]" 1
1787 1 108 LEU HB2 1 108 LEU MD1 . . 3.220 2.215 2.075 2.379 . 0 0 "[ . 1 . 2]" 1
1788 1 108 LEU HB2 1 109 PHE H . . 4.440 2.920 2.673 3.217 . 0 0 "[ . 1 . 2]" 1
1789 1 108 LEU HB2 1 109 PHE QE . . 4.620 2.846 2.537 3.067 . 0 0 "[ . 1 . 2]" 1
1790 1 108 LEU HB3 1 108 LEU MD1 . . 3.560 2.455 2.273 2.610 . 0 0 "[ . 1 . 2]" 1
1791 1 108 LEU HB3 1 108 LEU MD2 . . 3.530 2.276 2.186 2.348 . 0 0 "[ . 1 . 2]" 1
1792 1 108 LEU HB3 1 109 PHE H . . 4.180 3.632 3.348 3.879 . 0 0 "[ . 1 . 2]" 1
1793 1 108 LEU HG 1 109 PHE H . . 5.040 4.707 4.582 4.860 . 0 0 "[ . 1 . 2]" 1
1794 1 109 PHE H 1 109 PHE HB2 . . 3.920 2.751 2.614 2.905 . 0 0 "[ . 1 . 2]" 1
1795 1 109 PHE H 1 109 PHE QB . . 3.230 2.684 2.560 2.817 . 0 0 "[ . 1 . 2]" 1
1796 1 109 PHE H 1 109 PHE HB3 . . 3.920 3.738 3.666 3.789 . 0 0 "[ . 1 . 2]" 1
1797 1 109 PHE H 1 109 PHE QD . . 3.140 2.066 1.898 2.395 . 0 0 "[ . 1 . 2]" 1
1798 1 109 PHE H 1 109 PHE QE . . 4.320 4.059 3.843 4.323 0.003 20 0 "[ . 1 . 2]" 1
1799 1 109 PHE H 1 110 GLU H . . 3.450 3.085 2.679 3.327 . 0 0 "[ . 1 . 2]" 1
1800 1 109 PHE H 1 110 GLU HA . . 4.810 4.659 4.498 4.811 0.001 3 0 "[ . 1 . 2]" 1
1801 1 109 PHE H 1 110 GLU QB . . 5.250 4.334 3.859 5.057 . 0 0 "[ . 1 . 2]" 1
1802 1 109 PHE HA 1 109 PHE QD . . 3.930 3.186 3.045 3.304 . 0 0 "[ . 1 . 2]" 1
1803 1 109 PHE HA 1 109 PHE QE . . 5.500 4.894 4.807 5.009 . 0 0 "[ . 1 . 2]" 1
1804 1 109 PHE QB 1 110 GLU H . . 4.140 3.889 3.818 3.913 . 0 0 "[ . 1 . 2]" 1
1805 1 110 GLU H 1 110 GLU HB2 . . 3.690 2.502 2.176 3.595 . 0 0 "[ . 1 . 2]" 1
1806 1 110 GLU H 1 110 GLU QB . . 2.980 2.303 2.155 2.615 . 0 0 "[ . 1 . 2]" 1
1807 1 110 GLU H 1 110 GLU HB3 . . 3.690 2.975 2.487 3.573 . 0 0 "[ . 1 . 2]" 1
1808 1 110 GLU H 1 111 ASN H . . 4.020 2.791 2.286 3.072 . 0 0 "[ . 1 . 2]" 1
1809 1 110 GLU HA 1 110 GLU HG2 . . 4.140 2.954 2.278 4.194 0.054 13 0 "[ . 1 . 2]" 1
1810 1 110 GLU HA 1 110 GLU QG . . 3.580 2.472 2.200 3.403 . 0 0 "[ . 1 . 2]" 1
1811 1 110 GLU HA 1 110 GLU HG3 . . 4.140 2.925 2.281 3.633 . 0 0 "[ . 1 . 2]" 1
1812 1 110 GLU HA 1 111 ASN H . . 3.560 3.100 2.797 3.566 0.006 18 0 "[ . 1 . 2]" 1
1813 1 110 GLU QB 1 111 ASN H . . 3.840 3.452 2.279 3.849 0.009 7 0 "[ . 1 . 2]" 1
1814 1 110 GLU QB 1 111 ASN QD . . 4.620 4.067 3.333 4.632 0.012 7 0 "[ . 1 . 2]" 1
1815 1 110 GLU HB2 1 111 ASN H . . 4.700 4.043 2.664 4.558 . 0 0 "[ . 1 . 2]" 1
1816 1 110 GLU HB3 1 111 ASN H . . 4.700 3.839 2.300 4.338 . 0 0 "[ . 1 . 2]" 1
1817 1 111 ASN H 1 111 ASN QB . . 3.370 2.485 2.248 2.734 . 0 0 "[ . 1 . 2]" 1
1818 1 111 ASN H 1 111 ASN QD . . 4.670 3.185 1.950 4.278 . 0 0 "[ . 1 . 2]" 1
1819 1 111 ASN H 1 112 GLN H . . 3.990 2.708 2.012 3.971 . 0 0 "[ . 1 . 2]" 1
1820 1 111 ASN QB 1 111 ASN QD . . 2.940 2.303 2.070 2.457 . 0 0 "[ . 1 . 2]" 1
1821 1 111 ASN QB 1 112 GLN H . . 4.310 2.859 2.032 3.912 . 0 0 "[ . 1 . 2]" 1
1822 1 111 ASN QB 1 112 GLN HA . . 5.200 4.019 3.737 4.474 . 0 0 "[ . 1 . 2]" 1
1823 1 111 ASN QB 1 112 GLN QB . . 5.180 4.182 3.349 5.196 0.016 5 0 "[ . 1 . 2]" 1
1824 1 112 GLN H 1 112 GLN QB . . 3.420 2.591 2.202 3.317 . 0 0 "[ . 1 . 2]" 1
1825 1 112 GLN H 1 112 GLN HG2 . . 3.880 2.874 1.931 3.858 . 0 0 "[ . 1 . 2]" 1
1826 1 112 GLN H 1 112 GLN HG3 . . 3.880 3.408 2.570 3.890 0.010 5 0 "[ . 1 . 2]" 1
1827 1 112 GLN HA 1 112 GLN HG2 . . 3.860 3.287 2.207 3.838 . 0 0 "[ . 1 . 2]" 1
1828 1 112 GLN HA 1 112 GLN HG3 . . 3.860 3.436 2.423 3.892 0.032 5 0 "[ . 1 . 2]" 1
1829 1 112 GLN QE 1 112 GLN QG . . 2.980 2.252 2.067 2.576 . 0 0 "[ . 1 . 2]" 1
1830 1 112 GLN QG 1 113 ASN QD . . 4.020 3.787 2.696 4.018 . 0 0 "[ . 1 . 2]" 1
1831 1 113 ASN H 1 113 ASN QB . . 3.690 2.755 2.252 3.420 . 0 0 "[ . 1 . 2]" 1
1832 1 113 ASN H 1 114 ILE H . . 4.650 4.413 2.777 4.643 . 0 0 "[ . 1 . 2]" 1
1833 1 113 ASN HA 1 114 ILE MD . . 4.690 3.697 2.725 4.590 . 0 0 "[ . 1 . 2]" 1
1834 1 113 ASN HA 1 114 ILE QG . . 4.560 3.935 3.426 4.551 . 0 0 "[ . 1 . 2]" 1
1835 1 113 ASN QB 1 114 ILE H . . 3.980 2.473 2.004 3.908 . 0 0 "[ . 1 . 2]" 1
1836 1 113 ASN QB 1 114 ILE MD . . 4.680 4.286 3.505 4.672 . 0 0 "[ . 1 . 2]" 1
1837 1 113 ASN QB 1 114 ILE MG . . 5.340 5.134 4.828 5.309 . 0 0 "[ . 1 . 2]" 1
1838 1 114 ILE H 1 114 ILE HB . . 3.320 2.564 2.454 2.883 . 0 0 "[ . 1 . 2]" 1
1839 1 114 ILE H 1 114 ILE MD . . 3.790 2.662 1.809 3.533 . 0 0 "[ . 1 . 2]" 1
1840 1 114 ILE H 1 114 ILE HG12 . . 3.990 3.250 1.901 4.006 0.016 3 0 "[ . 1 . 2]" 1
1841 1 114 ILE H 1 114 ILE QG . . 3.390 2.567 1.892 3.092 . 0 0 "[ . 1 . 2]" 1
1842 1 114 ILE H 1 114 ILE HG13 . . 3.990 3.204 2.209 3.987 . 0 0 "[ . 1 . 2]" 1
1843 1 114 ILE H 1 114 ILE MG . . 4.410 3.788 3.751 3.895 . 0 0 "[ . 1 . 2]" 1
1844 1 114 ILE HA 1 114 ILE MD . . 4.050 2.931 1.945 3.898 . 0 0 "[ . 1 . 2]" 1
1845 1 114 ILE HA 1 114 ILE HG12 . . 4.120 3.245 2.797 3.666 . 0 0 "[ . 1 . 2]" 1
1846 1 114 ILE HA 1 114 ILE QG . . 3.510 2.622 2.260 3.085 . 0 0 "[ . 1 . 2]" 1
1847 1 114 ILE HA 1 114 ILE HG13 . . 4.120 2.972 2.286 3.749 . 0 0 "[ . 1 . 2]" 1
1848 1 114 ILE HA 1 114 ILE MG . . 3.210 2.355 2.154 2.444 . 0 0 "[ . 1 . 2]" 1
1849 1 114 ILE HA 1 115 THR H . . 3.030 2.187 2.139 2.378 . 0 0 "[ . 1 . 2]" 1
1850 1 114 ILE HB 1 114 ILE MD . . 3.420 2.607 2.102 3.229 . 0 0 "[ . 1 . 2]" 1
1851 1 114 ILE HB 1 115 THR H . . 4.300 4.053 3.296 4.299 . 0 0 "[ . 1 . 2]" 1
1852 1 114 ILE QG 1 114 ILE MG . . 3.260 2.130 1.947 2.328 . 0 0 "[ . 1 . 2]" 1
1853 1 114 ILE QG 1 115 THR H . . 4.830 4.295 3.973 4.740 . 0 0 "[ . 1 . 2]" 1
1854 1 114 ILE MG 1 115 THR H . . 4.120 2.289 1.925 2.788 . 0 0 "[ . 1 . 2]" 1
1855 1 114 ILE MG 1 115 THR HA . . 4.530 3.921 3.251 4.257 . 0 0 "[ . 1 . 2]" 1
1856 1 114 ILE MG 1 115 THR HB . . 4.660 4.148 3.038 4.635 . 0 0 "[ . 1 . 2]" 1
1857 1 115 THR H 1 115 THR HB . . 3.910 2.815 2.482 3.627 . 0 0 "[ . 1 . 2]" 1
1858 1 115 THR H 1 115 THR MG . . 4.090 3.265 1.944 3.918 . 0 0 "[ . 1 . 2]" 1
1859 1 115 THR HA 1 115 THR MG . . 3.280 2.521 2.231 3.206 . 0 0 "[ . 1 . 2]" 1
1860 1 115 THR HA 1 116 VAL H . . 2.940 2.212 2.142 2.324 . 0 0 "[ . 1 . 2]" 1
1861 1 115 THR HA 1 116 VAL QG . . 4.760 3.563 3.303 3.920 . 0 0 "[ . 1 . 2]" 1
1862 1 115 THR MG 1 116 VAL H . . 4.220 2.990 1.903 4.071 . 0 0 "[ . 1 . 2]" 1
1863 1 116 VAL H 1 116 VAL HB . . 3.480 2.994 2.469 3.608 0.128 5 0 "[ . 1 . 2]" 1
1864 1 116 VAL H 1 116 VAL QG . . 3.480 2.342 1.800 2.977 . 0 0 "[ . 1 . 2]" 1
1865 1 116 VAL HA 1 116 VAL MG1 . . 3.390 2.556 2.212 3.200 . 0 0 "[ . 1 . 2]" 1
1866 1 116 VAL HA 1 116 VAL MG2 . . 3.390 2.549 2.214 3.198 . 0 0 "[ . 1 . 2]" 1
1867 1 116 VAL HA 1 117 ILE H . . 2.730 2.248 2.174 2.631 . 0 0 "[ . 1 . 2]" 1
1868 1 116 VAL HB 1 117 ILE H . . 4.040 3.663 1.915 4.040 0.000 16 0 "[ . 1 . 2]" 1
1869 1 116 VAL QG 1 117 ILE H . . 3.480 2.408 1.930 3.439 . 0 0 "[ . 1 . 2]" 1
1870 1 116 VAL QG 1 118 PRO QD . . 5.120 4.533 4.087 4.768 . 0 0 "[ . 1 . 2]" 1
1871 1 117 ILE H 1 117 ILE HB . . 3.680 3.628 3.608 3.689 0.009 5 0 "[ . 1 . 2]" 1
1872 1 117 ILE H 1 117 ILE HG12 . . 3.800 2.379 1.963 3.460 . 0 0 "[ . 1 . 2]" 1
1873 1 117 ILE H 1 117 ILE HG13 . . 3.800 2.901 1.905 3.774 . 0 0 "[ . 1 . 2]" 1
1874 1 117 ILE H 1 118 PRO QD . . 5.010 4.356 4.305 4.375 . 0 0 "[ . 1 . 2]" 1
1875 1 117 ILE HA 1 117 ILE MD . . 4.420 4.001 3.396 4.173 . 0 0 "[ . 1 . 2]" 1
1876 1 117 ILE HA 1 117 ILE QG . . 3.690 3.333 3.301 3.439 . 0 0 "[ . 1 . 2]" 1
1877 1 117 ILE HA 1 117 ILE MG . . 3.460 2.328 2.189 2.510 . 0 0 "[ . 1 . 2]" 1
1878 1 117 ILE HA 1 118 PRO HD2 . . 3.130 2.304 2.234 2.377 . 0 0 "[ . 1 . 2]" 1
1879 1 117 ILE HA 1 118 PRO QD . . 2.720 2.037 2.000 2.077 . 0 0 "[ . 1 . 2]" 1
1880 1 117 ILE HA 1 118 PRO HD3 . . 3.130 2.271 2.256 2.292 . 0 0 "[ . 1 . 2]" 1
1881 1 117 ILE HB 1 118 PRO HD2 . . 4.530 2.158 2.000 2.335 . 0 0 "[ . 1 . 2]" 1
1882 1 117 ILE HB 1 118 PRO QD . . 3.850 2.141 1.987 2.313 . 0 0 "[ . 1 . 2]" 1
1883 1 117 ILE HB 1 118 PRO HD3 . . 4.530 3.584 3.431 3.737 . 0 0 "[ . 1 . 2]" 1
1884 1 117 ILE MG 1 118 PRO HD2 . . 4.120 3.131 2.724 3.388 . 0 0 "[ . 1 . 2]" 1
1885 1 117 ILE MG 1 118 PRO QD . . 3.490 3.010 2.653 3.241 . 0 0 "[ . 1 . 2]" 1
1886 1 117 ILE MG 1 118 PRO HD3 . . 4.120 3.905 3.652 4.127 0.007 3 0 "[ . 1 . 2]" 1
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