NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609867 |
2ncg   |
26021 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ncg
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 1465
_Distance_constraint_stats_list.Viol_count 705
_Distance_constraint_stats_list.Viol_total 177.140
_Distance_constraint_stats_list.Viol_max 0.305
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0126
_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 2 ASN 0.001 0.001 16 0 "[ . 1 . 2]"
1 3 ALA 0.015 0.005 11 0 "[ . 1 . 2]"
1 4 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.064 0.013 9 0 "[ . 1 . 2]"
1 7 ALA 0.060 0.014 5 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.097 0.016 9 0 "[ . 1 . 2]"
1 10 ILE 0.181 0.044 16 0 "[ . 1 . 2]"
1 11 PRO 0.030 0.014 11 0 "[ . 1 . 2]"
1 12 LYS 0.122 0.017 11 0 "[ . 1 . 2]"
1 13 LEU 0.353 0.081 9 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.326 0.136 11 0 "[ . 1 . 2]"
1 16 LEU 0.168 0.044 15 0 "[ . 1 . 2]"
1 17 LEU 0.253 0.039 15 0 "[ . 1 . 2]"
1 18 VAL 0.557 0.200 19 0 "[ . 1 . 2]"
1 19 GLY 0.022 0.009 8 0 "[ . 1 . 2]"
1 20 GLU 0.073 0.046 14 0 "[ . 1 . 2]"
1 21 TYR 0.037 0.012 14 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.106 0.049 15 0 "[ . 1 . 2]"
1 24 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.084 0.075 11 0 "[ . 1 . 2]"
1 26 GLY 0.158 0.061 15 0 "[ . 1 . 2]"
1 27 VAL 0.301 0.214 15 0 "[ . 1 . 2]"
1 28 LYS 0.294 0.214 15 0 "[ . 1 . 2]"
1 29 LYS 0.324 0.061 15 0 "[ . 1 . 2]"
1 30 ASN 0.062 0.023 17 0 "[ . 1 . 2]"
1 31 ILE 0.278 0.081 9 0 "[ . 1 . 2]"
1 32 GLU 0.568 0.288 14 0 "[ . 1 . 2]"
1 33 ASP 0.349 0.288 14 0 "[ . 1 . 2]"
1 34 LEU 0.171 0.024 11 0 "[ . 1 . 2]"
1 35 LEU 0.042 0.008 9 0 "[ . 1 . 2]"
1 36 LYS 0.136 0.041 18 0 "[ . 1 . 2]"
1 37 GLU 0.094 0.041 18 0 "[ . 1 . 2]"
1 38 LEU 0.054 0.021 18 0 "[ . 1 . 2]"
1 39 LYS 0.196 0.044 16 0 "[ . 1 . 2]"
1 40 THR 0.252 0.067 12 0 "[ . 1 . 2]"
1 41 MET 0.359 0.067 12 0 "[ . 1 . 2]"
1 42 ASN 0.071 0.014 5 0 "[ . 1 . 2]"
1 43 ALA 0.059 0.017 11 0 "[ . 1 . 2]"
1 44 ALA 0.041 0.006 7 0 "[ . 1 . 2]"
1 45 LEU 0.003 0.002 11 0 "[ . 1 . 2]"
1 46 ILE 0.031 0.005 9 0 "[ . 1 . 2]"
1 47 LYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 48 ILE 0.051 0.006 7 0 "[ . 1 . 2]"
1 49 GLY 0.002 0.002 18 0 "[ . 1 . 2]"
1 50 GLU 0.436 0.149 20 0 "[ . 1 . 2]"
1 51 VAL 0.809 0.193 20 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 PRO 0.050 0.021 20 0 "[ . 1 . 2]"
1 54 ASP 0.090 0.068 10 0 "[ . 1 . 2]"
1 55 GLN 0.193 0.023 10 0 "[ . 1 . 2]"
1 56 LEU 0.381 0.205 10 0 "[ . 1 . 2]"
1 57 ASP 0.008 0.004 15 0 "[ . 1 . 2]"
1 59 GLN 0.076 0.026 14 0 "[ . 1 . 2]"
1 60 ASP 0.008 0.004 16 0 "[ . 1 . 2]"
1 61 LYS 0.006 0.003 19 0 "[ . 1 . 2]"
1 62 LEU 0.047 0.035 20 0 "[ . 1 . 2]"
1 63 TRP 0.040 0.010 20 0 "[ . 1 . 2]"
1 64 ALA 0.042 0.035 20 0 "[ . 1 . 2]"
1 65 ASP 0.001 0.001 16 0 "[ . 1 . 2]"
1 66 GLU 0.095 0.079 20 0 "[ . 1 . 2]"
1 67 VAL 0.108 0.043 20 0 "[ . 1 . 2]"
1 68 ARG 0.127 0.060 9 0 "[ . 1 . 2]"
1 69 GLU 0.072 0.072 16 0 "[ . 1 . 2]"
1 70 LEU 0.237 0.072 16 0 "[ . 1 . 2]"
1 71 SER 0.134 0.062 9 0 "[ . 1 . 2]"
1 72 TYR 0.004 0.002 13 0 "[ . 1 . 2]"
1 73 VAL 0.050 0.034 8 0 "[ . 1 . 2]"
1 74 ILE 0.086 0.024 16 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ALA 0.135 0.012 9 0 "[ . 1 . 2]"
1 78 VAL 0.199 0.054 2 0 "[ . 1 . 2]"
1 79 ASP 0.104 0.041 14 0 "[ . 1 . 2]"
1 80 LYS 0.353 0.054 2 0 "[ . 1 . 2]"
1 81 PHE 0.026 0.005 7 0 "[ . 1 . 2]"
1 82 LEU 0.050 0.020 10 0 "[ . 1 . 2]"
1 83 VAL 0.252 0.037 17 0 "[ . 1 . 2]"
1 84 ARG 0.907 0.305 17 0 "[ . 1 . 2]"
1 85 VAL 0.308 0.305 17 0 "[ . 1 . 2]"
1 86 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.004 0.001 5 0 "[ . 1 . 2]"
1 89 GLU 0.117 0.113 8 0 "[ . 1 . 2]"
1 90 PRO 0.113 0.113 8 0 "[ . 1 . 2]"
1 91 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ASN 0.153 0.126 2 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ASN 0.001 0.001 7 0 "[ . 1 . 2]"
1 96 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 PHE 0.010 0.005 12 0 "[ . 1 . 2]"
1 100 LEU 0.272 0.086 1 0 "[ . 1 . 2]"
1 101 MET 0.210 0.086 1 0 "[ . 1 . 2]"
1 102 LYS 0.022 0.013 12 0 "[ . 1 . 2]"
1 103 ARG 0.092 0.058 5 0 "[ . 1 . 2]"
1 104 THR 0.076 0.018 5 0 "[ . 1 . 2]"
1 105 THR 0.055 0.015 9 0 "[ . 1 . 2]"
1 106 LYS 0.031 0.025 13 0 "[ . 1 . 2]"
1 107 LEU 0.201 0.079 20 0 "[ . 1 . 2]"
1 108 LEU 0.106 0.028 20 0 "[ . 1 . 2]"
1 109 LYS 0.198 0.059 5 0 "[ . 1 . 2]"
1 110 LYS 0.097 0.022 6 0 "[ . 1 . 2]"
1 111 VAL 0.712 0.123 13 0 "[ . 1 . 2]"
1 112 VAL 0.144 0.059 5 0 "[ . 1 . 2]"
1 113 ASP 0.019 0.006 8 0 "[ . 1 . 2]"
1 114 LYS 0.033 0.032 6 0 "[ . 1 . 2]"
1 115 HIS 0.128 0.053 15 0 "[ . 1 . 2]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 ILE 0.718 0.123 13 0 "[ . 1 . 2]"
1 118 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ASN HA 1 2 ASN QD . . 3.920 3.739 2.156 3.918 . 0 0 "[ . 1 . 2]" 1
2 1 2 ASN HA 1 3 ALA MB . . 4.940 4.899 4.835 4.938 . 0 0 "[ . 1 . 2]" 1
3 1 2 ASN HA 1 4 GLY H . . 4.270 3.884 3.663 4.199 . 0 0 "[ . 1 . 2]" 1
4 1 2 ASN QD 1 45 LEU QB . . 5.180 4.646 3.969 5.181 0.001 16 0 "[ . 1 . 2]" 1
5 1 2 ASN QD 1 45 LEU QD . . 4.840 3.407 2.833 4.441 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA H 1 6 ILE MD . . 5.340 4.630 4.415 4.955 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA HA 1 4 GLY QA . . 4.550 4.376 4.359 4.389 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA HA 1 6 ILE MD . . 4.960 2.277 1.959 2.730 . 0 0 "[ . 1 . 2]" 1
9 1 3 ALA HA 1 45 LEU MD1 . . 5.030 4.475 3.963 5.024 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA HA 1 45 LEU QD . . 3.960 3.719 3.349 3.962 0.002 11 0 "[ . 1 . 2]" 1
11 1 3 ALA HA 1 45 LEU MD2 . . 5.030 3.996 3.547 4.268 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA MB 1 4 GLY H . . 4.100 3.495 3.481 3.500 . 0 0 "[ . 1 . 2]" 1
13 1 3 ALA MB 1 4 GLY QA . . 4.010 3.907 3.865 3.970 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA MB 1 5 ALA H . . 4.970 4.414 4.235 4.718 . 0 0 "[ . 1 . 2]" 1
15 1 3 ALA MB 1 6 ILE H . . 4.220 3.905 3.672 4.183 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA MB 1 6 ILE HB . . 3.800 3.280 3.058 3.452 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA MB 1 6 ILE MG . . 4.340 4.212 4.024 4.345 0.005 5 0 "[ . 1 . 2]" 1
18 1 3 ALA MB 1 7 ALA H . . 4.120 3.994 3.547 4.125 0.005 11 0 "[ . 1 . 2]" 1
19 1 3 ALA MB 1 45 LEU QD . . 3.700 1.753 1.597 1.889 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY H 1 5 ALA H . . 4.610 2.694 2.581 2.792 . 0 0 "[ . 1 . 2]" 1
21 1 4 GLY QA 1 5 ALA H . . 3.390 2.818 2.728 2.855 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLY QA 1 5 ALA MB . . 4.400 4.193 4.164 4.218 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLY QA 1 7 ALA MB . . 4.280 2.433 2.069 2.601 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA H 1 5 ALA MB . . 3.440 2.124 2.024 2.237 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA MB 1 6 ILE MD . . 3.420 2.566 2.312 2.780 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA MB 1 9 LEU MD1 . . 4.670 4.194 4.029 4.476 . 0 0 "[ . 1 . 2]" 1
27 1 5 ALA MB 1 9 LEU MD2 . . 4.490 3.867 3.620 4.247 . 0 0 "[ . 1 . 2]" 1
28 1 5 ALA MB 1 71 SER QB . . 5.290 4.742 4.342 5.149 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE H 1 6 ILE HB . . 3.670 2.532 2.506 2.572 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE H 1 6 ILE MD . . 4.430 2.010 1.901 2.101 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE H 1 6 ILE QG . . 3.540 2.818 2.592 2.911 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE H 1 6 ILE MG . . 4.020 3.770 3.764 3.777 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE HA 1 6 ILE MD . . 3.770 3.447 3.378 3.547 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HA 1 6 ILE MG . . 3.680 2.319 2.284 2.386 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HA 1 7 ALA MB . . 5.050 5.009 4.989 5.030 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE HA 1 9 LEU HB2 . . 4.400 3.930 3.512 4.136 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE HA 1 9 LEU MD1 . . 4.040 2.087 1.960 2.244 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE HA 1 9 LEU HG . . 4.630 2.221 2.034 2.370 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE HB 1 7 ALA H . . 4.000 2.729 2.602 2.814 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE HB 1 7 ALA HA . . 4.500 4.261 4.217 4.303 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE HB 1 42 ASN HA . . 4.520 4.063 3.091 4.495 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE HB 1 68 ARG QD . . 4.810 4.804 4.757 4.823 0.013 9 0 "[ . 1 . 2]" 1
43 1 6 ILE MD 1 6 ILE MG . . 3.410 3.108 3.036 3.133 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MD 1 68 ARG H . . 4.980 4.621 4.047 4.982 0.002 20 0 "[ . 1 . 2]" 1
45 1 6 ILE MD 1 68 ARG HA . . 5.150 4.057 3.129 4.756 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE MD 1 68 ARG QG . . 4.400 2.654 1.939 3.851 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE MD 1 71 SER QB . . 5.500 5.382 4.835 5.504 0.004 16 0 "[ . 1 . 2]" 1
48 1 6 ILE QG 1 6 ILE MG . . 3.150 1.964 1.924 2.102 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE QG 1 9 LEU MD1 . . 4.480 3.097 2.899 3.393 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE QG 1 67 VAL HB . . 3.820 3.298 2.570 3.822 0.002 8 0 "[ . 1 . 2]" 1
51 1 6 ILE QG 1 67 VAL QG . . 4.120 2.561 1.987 3.969 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE QG 1 68 ARG H . . 4.990 4.068 3.678 4.443 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE HG12 1 6 ILE MG . . 3.600 2.014 1.964 2.189 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE HG13 1 6 ILE MG . . 3.600 2.737 2.700 2.831 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE MG 1 7 ALA H . . 3.840 3.607 3.508 3.665 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE MG 1 42 ASN H . . 3.910 3.739 3.173 3.910 . 0 0 "[ . 1 . 2]" 1
57 1 6 ILE MG 1 42 ASN HA . . 3.770 2.722 2.028 3.423 . 0 0 "[ . 1 . 2]" 1
58 1 6 ILE MG 1 42 ASN HB2 . . 3.920 2.781 1.948 3.154 . 0 0 "[ . 1 . 2]" 1
59 1 6 ILE MG 1 42 ASN HB3 . . 4.440 4.199 3.434 4.439 . 0 0 "[ . 1 . 2]" 1
60 1 6 ILE MG 1 42 ASN HD21 . . 5.040 3.591 2.517 5.045 0.005 5 0 "[ . 1 . 2]" 1
61 1 6 ILE MG 1 42 ASN QD . . 4.390 3.348 2.486 4.392 0.002 11 0 "[ . 1 . 2]" 1
62 1 6 ILE MG 1 42 ASN HD22 . . 5.040 4.450 3.850 5.009 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE MG 1 67 VAL QG . . 3.700 2.124 1.760 3.323 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE MG 1 68 ARG HA . . 4.850 4.293 3.551 4.771 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE MG 1 68 ARG QG . . 4.470 4.427 4.050 4.476 0.006 5 0 "[ . 1 . 2]" 1
66 1 7 ALA H 1 7 ALA MB . . 3.230 2.139 2.041 2.251 . 0 0 "[ . 1 . 2]" 1
67 1 7 ALA H 1 8 LYS H . . 3.860 2.541 2.475 2.646 . 0 0 "[ . 1 . 2]" 1
68 1 7 ALA H 1 9 LEU H . . 5.270 3.998 3.937 4.034 . 0 0 "[ . 1 . 2]" 1
69 1 7 ALA HA 1 8 LYS HA . . 4.980 4.781 4.758 4.795 . 0 0 "[ . 1 . 2]" 1
70 1 7 ALA HA 1 42 ASN QD . . 4.860 2.947 2.447 3.748 . 0 0 "[ . 1 . 2]" 1
71 1 7 ALA MB 1 8 LYS H . . 3.260 2.806 2.609 2.872 . 0 0 "[ . 1 . 2]" 1
72 1 7 ALA MB 1 8 LYS HA . . 4.090 3.826 3.754 3.882 . 0 0 "[ . 1 . 2]" 1
73 1 7 ALA MB 1 42 ASN HA . . 4.890 4.853 4.579 4.904 0.014 5 0 "[ . 1 . 2]" 1
74 1 7 ALA MB 1 42 ASN HB3 . . 4.930 4.761 4.163 4.934 0.004 12 0 "[ . 1 . 2]" 1
75 1 7 ALA MB 1 42 ASN HD21 . . 4.590 3.183 2.686 3.613 . 0 0 "[ . 1 . 2]" 1
76 1 7 ALA MB 1 42 ASN QD . . 3.970 2.057 1.872 2.521 . 0 0 "[ . 1 . 2]" 1
77 1 7 ALA MB 1 42 ASN HD22 . . 4.590 2.095 1.883 2.682 . 0 0 "[ . 1 . 2]" 1
78 1 8 LYS H 1 8 LYS QB . . 3.150 2.221 2.163 2.311 . 0 0 "[ . 1 . 2]" 1
79 1 8 LYS H 1 9 LEU H . . 3.640 2.581 2.530 2.613 . 0 0 "[ . 1 . 2]" 1
80 1 8 LYS HA 1 8 LYS HD2 . . 4.870 3.743 2.148 4.701 . 0 0 "[ . 1 . 2]" 1
81 1 8 LYS HA 1 8 LYS QD . . 4.250 3.279 1.993 4.103 . 0 0 "[ . 1 . 2]" 1
82 1 8 LYS HA 1 8 LYS HD3 . . 4.870 3.847 2.003 4.766 . 0 0 "[ . 1 . 2]" 1
83 1 8 LYS HA 1 11 PRO QD . . 4.130 2.852 2.786 3.051 . 0 0 "[ . 1 . 2]" 1
84 1 8 LYS HA 1 11 PRO QG . . 4.230 2.987 2.737 3.503 . 0 0 "[ . 1 . 2]" 1
85 1 8 LYS QB 1 8 LYS QD . . 3.120 2.206 2.002 2.781 . 0 0 "[ . 1 . 2]" 1
86 1 9 LEU H 1 9 LEU HB2 . . 3.380 2.729 2.612 2.758 . 0 0 "[ . 1 . 2]" 1
87 1 9 LEU H 1 9 LEU HB3 . . 3.680 3.605 3.601 3.614 . 0 0 "[ . 1 . 2]" 1
88 1 9 LEU H 1 9 LEU MD2 . . 3.570 2.893 2.679 3.094 . 0 0 "[ . 1 . 2]" 1
89 1 9 LEU H 1 9 LEU HG . . 3.580 2.004 1.945 2.176 . 0 0 "[ . 1 . 2]" 1
90 1 9 LEU H 1 10 ILE H . . 3.820 2.390 2.378 2.419 . 0 0 "[ . 1 . 2]" 1
91 1 9 LEU HA 1 9 LEU MD1 . . 4.310 3.930 3.869 3.981 . 0 0 "[ . 1 . 2]" 1
92 1 9 LEU HA 1 9 LEU MD2 . . 3.540 2.307 2.110 2.477 . 0 0 "[ . 1 . 2]" 1
93 1 9 LEU HA 1 9 LEU HG . . 4.250 3.382 3.275 3.467 . 0 0 "[ . 1 . 2]" 1
94 1 9 LEU HA 1 12 LYS HB2 . . 3.440 1.995 1.987 2.002 . 0 0 "[ . 1 . 2]" 1
95 1 9 LEU HA 1 12 LYS HB3 . . 3.730 3.429 3.117 3.480 . 0 0 "[ . 1 . 2]" 1
96 1 9 LEU HA 1 12 LYS QE . . 4.830 4.168 2.038 4.610 . 0 0 "[ . 1 . 2]" 1
97 1 9 LEU HA 1 12 LYS QG . . 4.490 2.889 2.528 3.689 . 0 0 "[ . 1 . 2]" 1
98 1 9 LEU HA 1 13 LEU HG . . 5.210 5.059 4.729 5.220 0.010 9 0 "[ . 1 . 2]" 1
99 1 9 LEU HA 1 74 ILE MG . . 4.660 3.853 3.559 4.161 . 0 0 "[ . 1 . 2]" 1
100 1 9 LEU HB2 1 9 LEU MD2 . . 3.440 3.190 3.178 3.195 . 0 0 "[ . 1 . 2]" 1
101 1 9 LEU HB2 1 10 ILE HA . . 4.480 4.072 4.037 4.168 . 0 0 "[ . 1 . 2]" 1
102 1 9 LEU HB2 1 12 LYS HB2 . . 4.580 4.466 4.411 4.591 0.011 1 0 "[ . 1 . 2]" 1
103 1 9 LEU HB2 1 38 LEU QD . . 3.600 2.695 1.924 3.409 . 0 0 "[ . 1 . 2]" 1
104 1 9 LEU HB2 1 71 SER HA . . 5.280 5.225 4.931 5.289 0.009 11 0 "[ . 1 . 2]" 1
105 1 9 LEU HB2 1 74 ILE MD . . 4.700 2.987 2.738 4.212 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU HB3 1 9 LEU MD2 . . 3.450 2.342 2.197 2.441 . 0 0 "[ . 1 . 2]" 1
107 1 9 LEU HB3 1 10 ILE H . . 4.420 4.187 4.132 4.305 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU HB3 1 12 LYS HB2 . . 3.740 3.535 3.410 3.724 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU HB3 1 12 LYS HB3 . . 4.530 4.313 3.537 4.481 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU HB3 1 13 LEU MD1 . . 4.410 3.731 3.391 4.002 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU HB3 1 13 LEU HG . . 4.780 4.579 4.198 4.785 0.005 15 0 "[ . 1 . 2]" 1
112 1 9 LEU HB3 1 38 LEU QD . . 3.930 3.257 2.437 3.924 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HB3 1 71 SER HA . . 4.460 4.223 3.796 4.476 0.016 9 0 "[ . 1 . 2]" 1
114 1 9 LEU HB3 1 74 ILE HB . . 5.150 4.165 3.856 4.542 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU HB3 1 74 ILE MD . . 4.110 2.013 1.891 3.286 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU MD1 1 38 LEU QD . . 3.320 2.269 1.725 2.702 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU MD1 1 68 ARG HA . . 4.860 3.621 3.317 3.921 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU MD1 1 71 SER HA . . 3.700 2.481 2.207 2.774 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU MD1 1 71 SER QB . . 4.390 1.900 1.809 2.100 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU MD2 1 71 SER H . . 5.400 5.034 4.582 5.394 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU MD2 1 71 SER HA . . 4.000 3.614 3.127 4.002 0.002 20 0 "[ . 1 . 2]" 1
122 1 9 LEU MD2 1 71 SER QB . . 3.680 2.320 1.927 3.110 . 0 0 "[ . 1 . 2]" 1
123 1 10 ILE H 1 10 ILE HB . . 3.490 2.254 2.236 2.270 . 0 0 "[ . 1 . 2]" 1
124 1 10 ILE H 1 10 ILE MD . . 3.910 3.631 1.925 3.858 . 0 0 "[ . 1 . 2]" 1
125 1 10 ILE H 1 10 ILE MG . . 3.720 3.651 3.636 3.663 . 0 0 "[ . 1 . 2]" 1
126 1 10 ILE H 1 11 PRO HD2 . . 4.460 2.120 2.076 2.167 . 0 0 "[ . 1 . 2]" 1
127 1 10 ILE H 1 11 PRO QD . . 3.600 2.088 2.046 2.132 . 0 0 "[ . 1 . 2]" 1
128 1 10 ILE H 1 11 PRO HD3 . . 4.460 3.139 3.101 3.175 . 0 0 "[ . 1 . 2]" 1
129 1 10 ILE HA 1 10 ILE MD . . 3.660 2.002 1.938 2.344 . 0 0 "[ . 1 . 2]" 1
130 1 10 ILE HA 1 10 ILE MG . . 3.060 2.638 2.636 2.648 . 0 0 "[ . 1 . 2]" 1
131 1 10 ILE HA 1 13 LEU H . . 4.980 4.156 3.971 4.301 . 0 0 "[ . 1 . 2]" 1
132 1 10 ILE HA 1 13 LEU MD1 . . 4.610 3.540 3.307 4.096 . 0 0 "[ . 1 . 2]" 1
133 1 10 ILE HA 1 35 LEU MD1 . . 3.860 2.354 1.906 2.604 . 0 0 "[ . 1 . 2]" 1
134 1 10 ILE HA 1 35 LEU MD2 . . 4.480 4.332 3.577 4.483 0.003 12 0 "[ . 1 . 2]" 1
135 1 10 ILE HA 1 39 LYS HG2 . . 4.710 4.421 3.045 4.712 0.002 10 0 "[ . 1 . 2]" 1
136 1 10 ILE HB 1 11 PRO HD2 . . 3.990 2.510 2.504 2.514 . 0 0 "[ . 1 . 2]" 1
137 1 10 ILE HB 1 11 PRO QD . . 3.470 1.858 1.854 1.867 . 0 0 "[ . 1 . 2]" 1
138 1 10 ILE HB 1 11 PRO HD3 . . 3.990 1.915 1.910 1.926 . 0 0 "[ . 1 . 2]" 1
139 1 10 ILE MD 1 39 LYS H . . 3.990 3.427 2.849 3.730 . 0 0 "[ . 1 . 2]" 1
140 1 10 ILE MD 1 39 LYS HA . . 3.390 1.985 1.900 2.181 . 0 0 "[ . 1 . 2]" 1
141 1 10 ILE MD 1 39 LYS QB . . 3.550 3.484 3.292 3.594 0.044 16 0 "[ . 1 . 2]" 1
142 1 10 ILE MD 1 39 LYS QD . . 3.360 2.392 1.882 3.320 . 0 0 "[ . 1 . 2]" 1
143 1 10 ILE MD 1 39 LYS HG2 . . 3.090 2.122 1.911 2.350 . 0 0 "[ . 1 . 2]" 1
144 1 10 ILE MD 1 39 LYS HG3 . . 3.700 3.445 3.083 3.743 0.043 11 0 "[ . 1 . 2]" 1
145 1 10 ILE MD 1 42 ASN HB2 . . 3.990 3.674 3.016 3.991 0.001 17 0 "[ . 1 . 2]" 1
146 1 10 ILE MD 1 42 ASN HB3 . . 3.720 3.424 2.878 3.722 0.002 11 0 "[ . 1 . 2]" 1
147 1 10 ILE MD 1 43 ALA H . . 5.500 5.084 4.618 5.496 . 0 0 "[ . 1 . 2]" 1
148 1 10 ILE MG 1 11 PRO HA . . 3.990 2.942 2.932 2.944 . 0 0 "[ . 1 . 2]" 1
149 1 10 ILE MG 1 11 PRO HD2 . . 4.330 3.268 3.239 3.275 . 0 0 "[ . 1 . 2]" 1
150 1 10 ILE MG 1 11 PRO QD . . 3.770 2.037 1.995 2.046 . 0 0 "[ . 1 . 2]" 1
151 1 10 ILE MG 1 11 PRO HD3 . . 4.330 2.057 2.014 2.067 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE MG 1 11 PRO QG . . 4.460 3.602 3.568 3.609 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE MG 1 39 LYS HA . . 5.040 4.799 4.450 5.064 0.024 11 0 "[ . 1 . 2]" 1
154 1 10 ILE MG 1 39 LYS QD . . 4.640 3.464 2.572 4.199 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE MG 1 39 LYS HG2 . . 4.120 3.956 3.648 4.112 . 0 0 "[ . 1 . 2]" 1
156 1 11 PRO HA 1 12 LYS HA . . 5.010 4.856 4.765 4.883 . 0 0 "[ . 1 . 2]" 1
157 1 11 PRO HA 1 13 LEU H . . 4.530 4.214 3.883 4.544 0.014 11 0 "[ . 1 . 2]" 1
158 1 11 PRO HB2 1 12 LYS H . . 3.680 3.507 3.398 3.686 0.006 11 0 "[ . 1 . 2]" 1
159 1 11 PRO HB2 1 12 LYS QG . . 5.340 4.838 4.562 5.272 . 0 0 "[ . 1 . 2]" 1
160 1 11 PRO QD 1 12 LYS H . . 3.940 2.634 2.606 2.702 . 0 0 "[ . 1 . 2]" 1
161 1 11 PRO HD2 1 12 LYS H . . 4.710 2.681 2.651 2.756 . 0 0 "[ . 1 . 2]" 1
162 1 11 PRO HD3 1 12 LYS H . . 4.710 3.859 3.840 3.900 . 0 0 "[ . 1 . 2]" 1
163 1 11 PRO QG 1 12 LYS H . . 4.200 2.573 2.429 2.821 . 0 0 "[ . 1 . 2]" 1
164 1 11 PRO HG2 1 12 LYS H . . 4.920 2.602 2.452 2.863 . 0 0 "[ . 1 . 2]" 1
165 1 11 PRO HG3 1 12 LYS H . . 4.920 4.054 3.942 4.249 . 0 0 "[ . 1 . 2]" 1
166 1 12 LYS H 1 12 LYS HB2 . . 3.350 2.118 2.065 2.179 . 0 0 "[ . 1 . 2]" 1
167 1 12 LYS H 1 12 LYS HB3 . . 3.480 3.401 3.135 3.489 0.009 13 0 "[ . 1 . 2]" 1
168 1 12 LYS H 1 12 LYS QD . . 5.060 4.306 4.125 4.682 . 0 0 "[ . 1 . 2]" 1
169 1 12 LYS H 1 12 LYS HG2 . . 4.480 3.731 2.911 4.369 . 0 0 "[ . 1 . 2]" 1
170 1 12 LYS H 1 12 LYS QG . . 3.630 3.091 2.831 3.581 . 0 0 "[ . 1 . 2]" 1
171 1 12 LYS H 1 12 LYS HG3 . . 4.480 3.486 2.961 4.088 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS H 1 13 LEU H . . 3.600 2.756 2.538 2.888 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS H 1 13 LEU HB2 . . 5.280 4.952 4.581 5.217 . 0 0 "[ . 1 . 2]" 1
174 1 12 LYS H 1 13 LEU MD1 . . 4.970 4.930 4.665 4.987 0.017 11 0 "[ . 1 . 2]" 1
175 1 12 LYS H 1 35 LEU MD1 . . 5.140 4.932 4.385 5.140 . 0 0 "[ . 1 . 2]" 1
176 1 12 LYS HA 1 12 LYS QE . . 5.140 4.025 3.719 4.447 . 0 0 "[ . 1 . 2]" 1
177 1 12 LYS HA 1 13 LEU HG . . 5.440 5.230 4.984 5.444 0.004 10 0 "[ . 1 . 2]" 1
178 1 12 LYS HA 1 74 ILE MG . . 4.890 4.831 4.467 4.899 0.009 16 0 "[ . 1 . 2]" 1
179 1 12 LYS HB2 1 12 LYS QE . . 4.670 3.487 2.483 3.819 . 0 0 "[ . 1 . 2]" 1
180 1 12 LYS HB2 1 13 LEU H . . 3.670 2.979 2.775 3.389 . 0 0 "[ . 1 . 2]" 1
181 1 12 LYS HB2 1 13 LEU HA . . 5.500 5.020 4.872 5.370 . 0 0 "[ . 1 . 2]" 1
182 1 12 LYS HB3 1 12 LYS QE . . 3.390 2.497 1.994 3.257 . 0 0 "[ . 1 . 2]" 1
183 1 12 LYS HB3 1 13 LEU H . . 3.750 3.069 2.644 3.394 . 0 0 "[ . 1 . 2]" 1
184 1 12 LYS HB3 1 13 LEU HG . . 3.980 3.273 2.817 3.643 . 0 0 "[ . 1 . 2]" 1
185 1 12 LYS HB3 1 74 ILE MD . . 4.350 4.224 3.831 4.355 0.005 15 0 "[ . 1 . 2]" 1
186 1 12 LYS HB3 1 74 ILE MG . . 3.930 2.544 2.173 2.661 . 0 0 "[ . 1 . 2]" 1
187 1 12 LYS HB3 1 77 ALA MB . . 5.190 4.602 4.237 5.152 . 0 0 "[ . 1 . 2]" 1
188 1 12 LYS QE 1 74 ILE MD . . 4.730 4.298 3.057 4.706 . 0 0 "[ . 1 . 2]" 1
189 1 12 LYS QE 1 74 ILE MG . . 4.010 2.645 1.933 3.679 . 0 0 "[ . 1 . 2]" 1
190 1 12 LYS QG 1 74 ILE MG . . 4.760 3.834 3.383 4.284 . 0 0 "[ . 1 . 2]" 1
191 1 13 LEU H 1 13 LEU HB2 . . 4.090 2.403 2.268 2.562 . 0 0 "[ . 1 . 2]" 1
192 1 13 LEU H 1 13 LEU HB3 . . 4.060 3.598 3.550 3.636 . 0 0 "[ . 1 . 2]" 1
193 1 13 LEU H 1 13 LEU MD1 . . 4.140 3.219 2.947 3.429 . 0 0 "[ . 1 . 2]" 1
194 1 13 LEU H 1 13 LEU MD2 . . 4.860 3.994 3.820 4.139 . 0 0 "[ . 1 . 2]" 1
195 1 13 LEU H 1 13 LEU HG . . 3.870 2.677 2.348 3.013 . 0 0 "[ . 1 . 2]" 1
196 1 13 LEU H 1 14 GLY QA . . 4.630 4.248 4.192 4.438 . 0 0 "[ . 1 . 2]" 1
197 1 13 LEU H 1 15 GLU H . . 4.310 4.121 3.822 4.312 0.002 14 0 "[ . 1 . 2]" 1
198 1 13 LEU H 1 35 LEU MD1 . . 4.050 3.685 3.174 3.900 . 0 0 "[ . 1 . 2]" 1
199 1 13 LEU H 1 35 LEU MD2 . . 4.630 4.441 3.653 4.632 0.002 2 0 "[ . 1 . 2]" 1
200 1 13 LEU HA 1 13 LEU MD2 . . 3.570 2.518 2.308 2.778 . 0 0 "[ . 1 . 2]" 1
201 1 13 LEU HA 1 16 LEU H . . 4.840 3.534 3.158 3.800 . 0 0 "[ . 1 . 2]" 1
202 1 13 LEU HA 1 16 LEU HB2 . . 4.880 3.418 2.829 3.901 . 0 0 "[ . 1 . 2]" 1
203 1 13 LEU HA 1 16 LEU HG . . 5.500 4.902 4.500 5.294 . 0 0 "[ . 1 . 2]" 1
204 1 13 LEU HA 1 77 ALA MB . . 5.180 3.300 2.945 3.680 . 0 0 "[ . 1 . 2]" 1
205 1 13 LEU HB2 1 13 LEU MD1 . . 3.410 2.036 1.965 2.187 . 0 0 "[ . 1 . 2]" 1
206 1 13 LEU HB2 1 35 LEU HB2 . . 4.300 2.287 1.996 2.572 . 0 0 "[ . 1 . 2]" 1
207 1 13 LEU HB2 1 35 LEU QB . . 3.540 2.273 1.988 2.553 . 0 0 "[ . 1 . 2]" 1
208 1 13 LEU HB2 1 35 LEU HB3 . . 4.300 3.996 3.603 4.301 0.001 4 0 "[ . 1 . 2]" 1
209 1 13 LEU HB2 1 35 LEU MD1 . . 3.780 2.483 2.180 2.893 . 0 0 "[ . 1 . 2]" 1
210 1 13 LEU HB2 1 35 LEU MD2 . . 3.780 3.064 2.303 3.403 . 0 0 "[ . 1 . 2]" 1
211 1 13 LEU HB3 1 13 LEU MD1 . . 3.630 2.696 2.613 2.805 . 0 0 "[ . 1 . 2]" 1
212 1 13 LEU HB3 1 14 GLY H . . 4.310 3.795 3.352 4.035 . 0 0 "[ . 1 . 2]" 1
213 1 13 LEU HB3 1 31 ILE HA . . 4.600 4.441 3.702 4.608 0.008 14 0 "[ . 1 . 2]" 1
214 1 13 LEU HB3 1 31 ILE MG . . 3.850 2.171 1.919 2.378 . 0 0 "[ . 1 . 2]" 1
215 1 13 LEU HB3 1 34 LEU QD . . 4.860 4.660 4.187 4.864 0.004 7 0 "[ . 1 . 2]" 1
216 1 13 LEU MD1 1 14 GLY QA . . 5.340 5.205 5.008 5.340 . 0 0 "[ . 1 . 2]" 1
217 1 13 LEU MD1 1 34 LEU HA . . 4.340 4.172 3.791 4.364 0.024 11 0 "[ . 1 . 2]" 1
218 1 13 LEU MD1 1 34 LEU HB3 . . 3.510 2.245 1.897 2.599 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU MD1 1 35 LEU H . . 4.190 2.823 2.471 3.205 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU MD1 1 35 LEU HA . . 3.440 2.041 1.907 2.272 . 0 0 "[ . 1 . 2]" 1
221 1 13 LEU MD1 1 35 LEU QB . . 3.620 2.333 1.986 2.696 . 0 0 "[ . 1 . 2]" 1
222 1 13 LEU MD1 1 35 LEU MD1 . . 3.330 2.342 1.943 3.038 . 0 0 "[ . 1 . 2]" 1
223 1 13 LEU MD1 1 35 LEU HG . . 4.670 4.285 4.001 4.678 0.008 9 0 "[ . 1 . 2]" 1
224 1 13 LEU MD1 1 74 ILE MD . . 2.640 2.319 1.893 2.626 . 0 0 "[ . 1 . 2]" 1
225 1 13 LEU MD1 1 74 ILE MG . . 3.300 2.468 2.077 3.046 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU MD1 1 77 ALA MB . . 4.760 4.335 4.056 4.577 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU MD2 1 31 ILE HA . . 3.800 3.010 2.021 3.632 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU MD2 1 31 ILE HB . . 4.810 4.450 3.982 4.809 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU MD2 1 31 ILE MD . . 3.800 3.114 2.564 3.881 0.081 9 0 "[ . 1 . 2]" 1
230 1 13 LEU MD2 1 31 ILE MG . . 2.550 2.035 1.818 2.333 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU MD2 1 34 LEU H . . 5.230 4.058 3.689 4.596 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU MD2 1 34 LEU HB3 . . 3.810 2.205 1.929 2.471 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU MD2 1 35 LEU H . . 4.820 3.333 2.808 3.715 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU MD2 1 35 LEU QB . . 3.770 3.376 3.080 3.699 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU MD2 1 74 ILE HA . . 5.150 3.071 2.615 3.427 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU MD2 1 74 ILE MG . . 3.610 2.060 1.862 2.393 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU MD2 1 77 ALA HA . . 4.530 4.326 3.962 4.533 0.003 16 0 "[ . 1 . 2]" 1
238 1 13 LEU MD2 1 77 ALA MB . . 3.930 2.173 1.875 2.368 . 0 0 "[ . 1 . 2]" 1
239 1 13 LEU HG 1 74 ILE MD . . 3.720 3.371 2.529 3.698 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU HG 1 77 ALA MB . . 4.740 3.800 3.484 4.123 . 0 0 "[ . 1 . 2]" 1
241 1 14 GLY H 1 15 GLU H . . 4.350 2.750 2.616 2.858 . 0 0 "[ . 1 . 2]" 1
242 1 14 GLY H 1 16 LEU H . . 5.140 4.344 4.186 4.437 . 0 0 "[ . 1 . 2]" 1
243 1 14 GLY H 1 35 LEU MD2 . . 4.090 3.298 2.669 3.674 . 0 0 "[ . 1 . 2]" 1
244 1 14 GLY QA 1 17 LEU H . . 4.740 3.086 2.874 3.500 . 0 0 "[ . 1 . 2]" 1
245 1 14 GLY HA2 1 35 LEU MD2 . . 4.020 2.826 2.128 3.340 . 0 0 "[ . 1 . 2]" 1
246 1 14 GLY HA3 1 35 LEU MD2 . . 4.020 3.424 2.495 3.935 . 0 0 "[ . 1 . 2]" 1
247 1 15 GLU H 1 15 GLU HB2 . . 3.200 2.267 2.067 2.610 . 0 0 "[ . 1 . 2]" 1
248 1 15 GLU H 1 15 GLU HB3 . . 3.200 2.849 2.438 3.202 0.002 7 0 "[ . 1 . 2]" 1
249 1 15 GLU H 1 15 GLU HG2 . . 4.520 4.397 3.681 4.521 0.001 16 0 "[ . 1 . 2]" 1
250 1 15 GLU H 1 15 GLU HG3 . . 4.520 4.402 4.109 4.513 . 0 0 "[ . 1 . 2]" 1
251 1 15 GLU H 1 16 LEU H . . 3.700 2.669 2.478 2.721 . 0 0 "[ . 1 . 2]" 1
252 1 15 GLU H 1 16 LEU HB2 . . 4.920 4.601 4.304 4.750 . 0 0 "[ . 1 . 2]" 1
253 1 15 GLU H 1 17 LEU H . . 4.610 3.895 3.794 4.070 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLU H 1 18 VAL QG . . 4.790 4.038 3.766 4.628 . 0 0 "[ . 1 . 2]" 1
255 1 15 GLU HA 1 15 GLU QG . . 3.710 2.468 2.266 2.624 . 0 0 "[ . 1 . 2]" 1
256 1 15 GLU HA 1 18 VAL H . . 3.790 3.732 3.199 3.926 0.136 11 0 "[ . 1 . 2]" 1
257 1 15 GLU HA 1 18 VAL MG1 . . 3.610 2.486 1.970 3.286 . 0 0 "[ . 1 . 2]" 1
258 1 15 GLU HA 1 18 VAL MG2 . . 3.610 2.765 1.980 3.547 . 0 0 "[ . 1 . 2]" 1
259 1 15 GLU QB 1 16 LEU H . . 3.940 2.775 2.741 2.844 . 0 0 "[ . 1 . 2]" 1
260 1 15 GLU QG 1 18 VAL QG . . 3.950 3.113 2.694 3.544 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU H 1 16 LEU HB2 . . 4.030 2.167 2.082 2.247 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU H 1 16 LEU HB3 . . 3.600 3.428 3.221 3.533 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU H 1 16 LEU MD1 . . 4.500 4.083 3.910 4.201 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU H 1 16 LEU MD2 . . 3.930 2.482 2.158 2.921 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU H 1 16 LEU HG . . 4.720 4.235 4.101 4.461 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU HA 1 16 LEU MD1 . . 3.960 2.097 1.956 2.325 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU HA 1 16 LEU MD2 . . 3.990 2.510 2.400 2.700 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU HA 1 21 TYR QD . . 3.880 3.037 2.310 3.892 0.012 14 0 "[ . 1 . 2]" 1
269 1 16 LEU HA 1 21 TYR QE . . 4.830 3.384 1.990 4.678 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU HA 1 31 ILE MG . . 4.420 4.340 4.177 4.464 0.044 15 0 "[ . 1 . 2]" 1
271 1 16 LEU HB2 1 16 LEU MD2 . . 3.410 2.301 2.215 2.408 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU HB2 1 31 ILE MG . . 4.160 2.107 1.907 2.659 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU HB3 1 16 LEU MD2 . . 3.370 3.182 3.171 3.195 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HB3 1 17 LEU QD . . 3.400 3.243 2.989 3.410 0.010 10 0 "[ . 1 . 2]" 1
275 1 16 LEU HB3 1 31 ILE HB . . 3.860 3.209 2.769 3.563 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HB3 1 31 ILE MG . . 3.740 2.469 1.961 2.851 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU HB3 1 77 ALA MB . . 5.450 4.257 3.378 4.781 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU MD1 1 21 TYR QD . . 3.970 2.712 2.113 3.204 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU MD1 1 21 TYR QE . . 4.220 3.361 2.570 3.905 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU MD1 1 81 PHE QD . . 4.670 4.071 3.296 4.675 0.005 8 0 "[ . 1 . 2]" 1
281 1 16 LEU MD2 1 17 LEU H . . 4.840 4.304 4.065 4.631 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU MD2 1 77 ALA HA . . 4.400 4.365 3.826 4.409 0.009 11 0 "[ . 1 . 2]" 1
283 1 16 LEU MD2 1 77 ALA MB . . 3.490 2.983 2.646 3.211 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU MD2 1 78 VAL H . . 4.800 3.891 3.523 4.293 . 0 0 "[ . 1 . 2]" 1
285 1 16 LEU MD2 1 78 VAL HA . . 3.730 2.475 2.001 3.021 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU MD2 1 78 VAL QG . . 3.390 2.576 1.831 3.392 0.002 18 0 "[ . 1 . 2]" 1
287 1 16 LEU MD2 1 79 ASP H . . 5.350 5.172 4.922 5.352 0.002 19 0 "[ . 1 . 2]" 1
288 1 16 LEU MD2 1 81 PHE QD . . 4.640 4.473 3.864 4.641 0.001 2 0 "[ . 1 . 2]" 1
289 1 16 LEU HG 1 31 ILE MD . . 4.520 2.664 2.220 3.193 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU HG 1 31 ILE MG . . 3.850 3.191 2.601 3.857 0.007 15 0 "[ . 1 . 2]" 1
291 1 16 LEU HG 1 77 ALA HA . . 4.140 3.872 3.477 4.142 0.002 3 0 "[ . 1 . 2]" 1
292 1 16 LEU HG 1 77 ALA MB . . 4.300 2.835 2.107 3.347 . 0 0 "[ . 1 . 2]" 1
293 1 17 LEU H 1 17 LEU HB2 . . 3.640 2.204 2.166 2.450 . 0 0 "[ . 1 . 2]" 1
294 1 17 LEU H 1 17 LEU HB3 . . 3.640 3.417 3.285 3.633 . 0 0 "[ . 1 . 2]" 1
295 1 17 LEU H 1 17 LEU QD . . 3.510 2.715 2.328 3.196 . 0 0 "[ . 1 . 2]" 1
296 1 17 LEU H 1 31 ILE QG . . 5.500 5.271 5.076 5.492 . 0 0 "[ . 1 . 2]" 1
297 1 17 LEU HA 1 17 LEU MD1 . . 3.770 2.462 2.116 3.797 0.027 4 0 "[ . 1 . 2]" 1
298 1 17 LEU HA 1 17 LEU QD . . 3.140 2.183 1.952 2.783 . 0 0 "[ . 1 . 2]" 1
299 1 17 LEU HA 1 17 LEU MD2 . . 3.770 2.640 2.045 3.778 0.008 10 0 "[ . 1 . 2]" 1
300 1 17 LEU HA 1 17 LEU HG . . 4.060 3.318 2.267 3.688 . 0 0 "[ . 1 . 2]" 1
301 1 17 LEU HA 1 31 ILE QG . . 5.500 5.171 4.387 5.506 0.006 9 0 "[ . 1 . 2]" 1
302 1 17 LEU QB 1 17 LEU QD . . 2.740 1.959 1.835 2.047 . 0 0 "[ . 1 . 2]" 1
303 1 17 LEU QB 1 18 VAL H . . 4.090 3.212 3.054 3.331 . 0 0 "[ . 1 . 2]" 1
304 1 17 LEU QD 1 28 LYS QE . . 3.950 3.173 1.870 3.946 . 0 0 "[ . 1 . 2]" 1
305 1 17 LEU QD 1 31 ILE HA . . 4.170 4.000 3.804 4.174 0.004 6 0 "[ . 1 . 2]" 1
306 1 17 LEU QD 1 31 ILE HB . . 3.190 2.214 1.942 2.574 . 0 0 "[ . 1 . 2]" 1
307 1 17 LEU QD 1 31 ILE QG . . 3.670 3.470 3.209 3.671 0.001 18 0 "[ . 1 . 2]" 1
308 1 17 LEU QD 1 31 ILE MG . . 3.570 1.915 1.763 2.190 . 0 0 "[ . 1 . 2]" 1
309 1 17 LEU QD 1 32 GLU HA . . 3.470 2.030 1.796 2.699 . 0 0 "[ . 1 . 2]" 1
310 1 17 LEU QD 1 32 GLU QB . . 3.870 1.958 1.729 2.207 . 0 0 "[ . 1 . 2]" 1
311 1 17 LEU QD 1 32 GLU QG . . 3.700 3.472 3.117 3.702 0.002 18 0 "[ . 1 . 2]" 1
312 1 17 LEU QD 1 33 ASP H . . 5.440 4.190 4.021 4.437 . 0 0 "[ . 1 . 2]" 1
313 1 17 LEU MD1 1 28 LYS QE . . 4.560 3.477 1.883 4.563 0.003 8 0 "[ . 1 . 2]" 1
314 1 17 LEU MD1 1 32 GLU H . . 3.800 3.221 2.407 3.828 0.028 9 0 "[ . 1 . 2]" 1
315 1 17 LEU MD2 1 28 LYS QE . . 4.560 4.114 2.524 4.599 0.039 15 0 "[ . 1 . 2]" 1
316 1 17 LEU MD2 1 32 GLU H . . 3.800 2.824 2.070 3.809 0.009 8 0 "[ . 1 . 2]" 1
317 1 17 LEU HG 1 32 GLU H . . 4.810 4.571 3.518 4.820 0.010 7 0 "[ . 1 . 2]" 1
318 1 18 VAL H 1 18 VAL HB . . 3.900 3.568 2.185 3.644 . 0 0 "[ . 1 . 2]" 1
319 1 18 VAL H 1 18 VAL MG1 . . 3.180 2.398 2.083 3.380 0.200 19 0 "[ . 1 . 2]" 1
320 1 18 VAL H 1 18 VAL MG2 . . 3.180 2.200 2.072 3.216 0.036 19 0 "[ . 1 . 2]" 1
321 1 18 VAL H 1 19 GLY H . . 3.420 2.397 2.300 2.433 . 0 0 "[ . 1 . 2]" 1
322 1 18 VAL HB 1 19 GLY H . . 4.330 3.979 3.195 4.111 . 0 0 "[ . 1 . 2]" 1
323 1 18 VAL QG 1 19 GLY H . . 3.610 2.114 1.953 2.770 . 0 0 "[ . 1 . 2]" 1
324 1 18 VAL QG 1 19 GLY QA . . 4.670 3.383 3.052 3.472 . 0 0 "[ . 1 . 2]" 1
325 1 18 VAL QG 1 20 GLU H . . 3.530 1.916 1.824 2.081 . 0 0 "[ . 1 . 2]" 1
326 1 18 VAL MG1 1 19 GLY H . . 4.350 3.882 2.805 4.058 . 0 0 "[ . 1 . 2]" 1
327 1 18 VAL MG2 1 19 GLY H . . 4.350 2.197 1.958 4.280 . 0 0 "[ . 1 . 2]" 1
328 1 19 GLY H 1 20 GLU H . . 3.810 2.242 2.030 2.803 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLY QA 1 20 GLU H . . 3.130 2.852 2.810 2.893 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLY QA 1 21 TYR QE . . 4.570 2.706 1.990 4.579 0.009 8 0 "[ . 1 . 2]" 1
331 1 20 GLU H 1 20 GLU HB2 . . 3.720 2.591 2.140 2.990 . 0 0 "[ . 1 . 2]" 1
332 1 20 GLU H 1 20 GLU HB3 . . 3.720 3.052 2.441 3.595 . 0 0 "[ . 1 . 2]" 1
333 1 20 GLU H 1 20 GLU QG . . 4.010 3.501 2.024 4.056 0.046 14 0 "[ . 1 . 2]" 1
334 1 20 GLU H 1 21 TYR H . . 4.160 3.809 3.672 4.072 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU H 1 21 TYR QE . . 5.010 3.657 2.912 4.633 . 0 0 "[ . 1 . 2]" 1
336 1 20 GLU HA 1 20 GLU QG . . 3.920 2.483 2.134 3.089 . 0 0 "[ . 1 . 2]" 1
337 1 20 GLU HA 1 21 TYR H . . 3.400 2.351 2.259 2.373 . 0 0 "[ . 1 . 2]" 1
338 1 20 GLU QB 1 21 TYR H . . 4.460 3.949 3.779 4.050 . 0 0 "[ . 1 . 2]" 1
339 1 21 TYR H 1 21 TYR QB . . 3.460 3.193 2.790 3.380 . 0 0 "[ . 1 . 2]" 1
340 1 21 TYR H 1 21 TYR QD . . 4.040 3.239 2.987 3.598 . 0 0 "[ . 1 . 2]" 1
341 1 21 TYR H 1 22 LYS H . . 4.410 4.330 4.232 4.382 . 0 0 "[ . 1 . 2]" 1
342 1 21 TYR HA 1 21 TYR QD . . 3.870 3.517 2.829 3.740 . 0 0 "[ . 1 . 2]" 1
343 1 21 TYR QB 1 22 LYS H . . 4.250 2.348 1.929 2.834 . 0 0 "[ . 1 . 2]" 1
344 1 21 TYR QB 1 23 LEU QD . . 4.400 2.581 1.877 3.118 . 0 0 "[ . 1 . 2]" 1
345 1 21 TYR QB 1 23 LEU HG . . 4.090 2.746 2.060 3.264 . 0 0 "[ . 1 . 2]" 1
346 1 21 TYR HB2 1 22 LYS H . . 4.830 2.698 2.046 3.410 . 0 0 "[ . 1 . 2]" 1
347 1 21 TYR HB2 1 23 LEU HG . . 4.770 2.918 2.069 4.489 . 0 0 "[ . 1 . 2]" 1
348 1 21 TYR HB3 1 22 LYS H . . 4.830 3.330 1.946 4.080 . 0 0 "[ . 1 . 2]" 1
349 1 21 TYR HB3 1 23 LEU HG . . 4.770 4.124 2.374 4.773 0.003 10 0 "[ . 1 . 2]" 1
350 1 22 LYS H 1 22 LYS QG . . 4.310 3.520 2.680 4.112 . 0 0 "[ . 1 . 2]" 1
351 1 22 LYS H 1 23 LEU H . . 4.520 3.383 3.264 3.638 . 0 0 "[ . 1 . 2]" 1
352 1 22 LYS H 1 23 LEU HG . . 4.170 3.080 2.876 4.035 . 0 0 "[ . 1 . 2]" 1
353 1 22 LYS HA 1 22 LYS QD . . 4.180 3.251 2.282 4.179 . 0 0 "[ . 1 . 2]" 1
354 1 22 LYS HA 1 23 LEU H . . 3.330 2.545 2.405 2.610 . 0 0 "[ . 1 . 2]" 1
355 1 22 LYS QB 1 22 LYS QD . . 2.990 2.153 2.011 2.320 . 0 0 "[ . 1 . 2]" 1
356 1 22 LYS QB 1 22 LYS QE . . 4.530 3.127 1.979 3.773 . 0 0 "[ . 1 . 2]" 1
357 1 22 LYS QG 1 23 LEU H . . 4.630 4.370 3.922 4.624 . 0 0 "[ . 1 . 2]" 1
358 1 23 LEU H 1 23 LEU QB . . 3.410 2.940 2.743 3.294 . 0 0 "[ . 1 . 2]" 1
359 1 23 LEU H 1 23 LEU MD1 . . 4.720 3.794 2.476 4.226 . 0 0 "[ . 1 . 2]" 1
360 1 23 LEU H 1 23 LEU QD . . 3.780 3.334 2.457 3.669 . 0 0 "[ . 1 . 2]" 1
361 1 23 LEU H 1 23 LEU MD2 . . 4.720 3.853 2.949 4.194 . 0 0 "[ . 1 . 2]" 1
362 1 23 LEU H 1 23 LEU HG . . 3.200 2.801 2.241 3.207 0.007 11 0 "[ . 1 . 2]" 1
363 1 23 LEU HA 1 23 LEU MD1 . . 4.020 3.924 3.618 4.069 0.049 15 0 "[ . 1 . 2]" 1
364 1 23 LEU HA 1 23 LEU MD2 . . 4.020 2.674 2.058 4.041 0.021 14 0 "[ . 1 . 2]" 1
365 1 23 LEU HA 1 23 LEU HG . . 4.250 3.253 2.898 3.649 . 0 0 "[ . 1 . 2]" 1
366 1 23 LEU QD 1 24 HIS H . . 4.070 3.410 3.026 3.550 . 0 0 "[ . 1 . 2]" 1
367 1 23 LEU QD 1 80 LYS QB . . 3.560 2.261 1.708 3.265 . 0 0 "[ . 1 . 2]" 1
368 1 23 LEU QD 1 81 PHE H . . 4.420 3.979 3.177 4.425 0.005 7 0 "[ . 1 . 2]" 1
369 1 23 LEU QD 1 81 PHE QD . . 4.340 3.932 2.041 4.343 0.003 11 0 "[ . 1 . 2]" 1
370 1 23 LEU MD1 1 24 HIS H . . 4.730 4.128 3.085 4.506 . 0 0 "[ . 1 . 2]" 1
371 1 23 LEU MD1 1 80 LYS HB2 . . 5.910 3.356 2.108 5.349 . 0 0 "[ . 1 . 2]" 1
372 1 23 LEU MD1 1 80 LYS HB3 . . 5.910 2.814 1.900 5.106 . 0 0 "[ . 1 . 2]" 1
373 1 23 LEU MD2 1 24 HIS H . . 4.730 3.848 3.322 4.679 . 0 0 "[ . 1 . 2]" 1
374 1 23 LEU MD2 1 80 LYS HB2 . . 5.910 4.063 2.392 5.569 . 0 0 "[ . 1 . 2]" 1
375 1 23 LEU MD2 1 80 LYS HB3 . . 5.910 3.025 1.940 4.385 . 0 0 "[ . 1 . 2]" 1
376 1 23 LEU HG 1 24 HIS H . . 4.990 4.731 4.111 4.862 . 0 0 "[ . 1 . 2]" 1
377 1 24 HIS H 1 24 HIS HB2 . . 3.980 2.271 2.179 2.451 . 0 0 "[ . 1 . 2]" 1
378 1 24 HIS H 1 24 HIS QB . . 3.490 2.230 2.135 2.412 . 0 0 "[ . 1 . 2]" 1
379 1 24 HIS H 1 24 HIS HB3 . . 3.980 3.371 2.746 3.588 . 0 0 "[ . 1 . 2]" 1
380 1 24 HIS HA 1 24 HIS HE1 . . 4.720 4.550 4.439 4.695 . 0 0 "[ . 1 . 2]" 1
381 1 24 HIS QB 1 27 VAL H . . 4.210 3.028 2.667 3.678 . 0 0 "[ . 1 . 2]" 1
382 1 24 HIS HB2 1 27 VAL MG2 . . 4.190 2.624 1.978 3.843 . 0 0 "[ . 1 . 2]" 1
383 1 24 HIS HB3 1 27 VAL MG2 . . 4.190 3.214 2.045 4.178 . 0 0 "[ . 1 . 2]" 1
384 1 25 LYS HA 1 25 LYS HD2 . . 4.170 3.480 2.777 4.179 0.009 11 0 "[ . 1 . 2]" 1
385 1 25 LYS HA 1 25 LYS QD . . 3.540 2.747 2.023 3.615 0.075 11 0 "[ . 1 . 2]" 1
386 1 25 LYS HA 1 25 LYS HD3 . . 4.170 3.148 2.037 4.161 . 0 0 "[ . 1 . 2]" 1
387 1 25 LYS HA 1 28 LYS QG . . 4.750 2.762 1.984 4.498 . 0 0 "[ . 1 . 2]" 1
388 1 25 LYS QB 1 25 LYS QE . . 4.190 3.237 1.990 3.807 . 0 0 "[ . 1 . 2]" 1
389 1 25 LYS QD 1 25 LYS QE . . 2.300 2.045 2.001 2.090 . 0 0 "[ . 1 . 2]" 1
390 1 25 LYS QE 1 25 LYS QG . . 2.980 2.177 2.000 2.431 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLY H 1 27 VAL H . . 4.940 2.592 2.375 2.842 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLY HA2 1 29 LYS QB . . 3.610 3.269 2.520 3.671 0.061 15 0 "[ . 1 . 2]" 1
393 1 26 GLY HA2 1 29 LYS QE . . 5.130 3.244 2.016 5.129 . 0 0 "[ . 1 . 2]" 1
394 1 26 GLY HA2 1 29 LYS QG . . 4.240 3.332 1.987 4.265 0.025 4 0 "[ . 1 . 2]" 1
395 1 26 GLY HA3 1 27 VAL MG2 . . 4.330 4.057 3.914 4.294 . 0 0 "[ . 1 . 2]" 1
396 1 26 GLY HA3 1 29 LYS QB . . 4.550 4.329 3.875 4.572 0.022 10 0 "[ . 1 . 2]" 1
397 1 27 VAL H 1 27 VAL HB . . 3.760 2.578 2.490 2.684 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL H 1 27 VAL MG1 . . 4.080 3.768 3.757 3.783 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL H 1 27 VAL MG2 . . 3.740 2.208 2.010 2.465 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL H 1 28 LYS H . . 3.870 2.644 2.377 2.827 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL H 1 29 LYS H . . 4.810 4.086 3.752 4.566 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL HA 1 27 VAL MG2 . . 3.680 2.344 2.272 2.422 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL HA 1 30 ASN HB2 . . 4.890 3.670 2.548 4.454 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL HA 1 30 ASN QB . . 4.140 3.365 2.526 3.970 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL HA 1 30 ASN HB3 . . 4.890 4.143 3.068 4.894 0.004 9 0 "[ . 1 . 2]" 1
406 1 27 VAL HB 1 28 LYS H . . 4.060 2.615 2.355 2.865 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL HB 1 28 LYS QB . . 5.050 4.372 3.928 4.964 . 0 0 "[ . 1 . 2]" 1
408 1 27 VAL HB 1 28 LYS QG . . 4.610 4.225 3.303 4.824 0.214 15 0 "[ . 1 . 2]" 1
409 1 27 VAL MG1 1 28 LYS H . . 4.310 3.528 3.262 3.788 . 0 0 "[ . 1 . 2]" 1
410 1 27 VAL MG1 1 29 LYS H . . 5.000 4.791 4.571 5.004 0.004 7 0 "[ . 1 . 2]" 1
411 1 27 VAL MG1 1 30 ASN H . . 5.060 4.139 3.770 4.423 . 0 0 "[ . 1 . 2]" 1
412 1 27 VAL MG1 1 31 ILE H . . 5.460 4.229 3.480 4.745 . 0 0 "[ . 1 . 2]" 1
413 1 27 VAL MG1 1 95 ASN HD21 . . 5.500 4.920 3.573 5.501 0.001 7 0 "[ . 1 . 2]" 1
414 1 27 VAL MG1 1 95 ASN HD22 . . 5.500 4.777 2.889 5.496 . 0 0 "[ . 1 . 2]" 1
415 1 27 VAL MG2 1 28 LYS H . . 4.440 3.791 3.601 3.935 . 0 0 "[ . 1 . 2]" 1
416 1 27 VAL MG2 1 30 ASN H . . 5.500 5.357 5.080 5.523 0.023 17 0 "[ . 1 . 2]" 1
417 1 27 VAL MG2 1 30 ASN QB . . 5.180 4.774 4.137 5.128 . 0 0 "[ . 1 . 2]" 1
418 1 28 LYS H 1 28 LYS HB2 . . 3.600 3.175 2.168 3.595 . 0 0 "[ . 1 . 2]" 1
419 1 28 LYS H 1 28 LYS QB . . 3.130 2.411 2.148 2.571 . 0 0 "[ . 1 . 2]" 1
420 1 28 LYS H 1 28 LYS HB3 . . 3.600 2.854 2.363 3.593 . 0 0 "[ . 1 . 2]" 1
421 1 28 LYS H 1 28 LYS HG2 . . 4.320 2.848 2.097 3.566 . 0 0 "[ . 1 . 2]" 1
422 1 28 LYS H 1 28 LYS QG . . 3.760 2.326 1.983 2.880 . 0 0 "[ . 1 . 2]" 1
423 1 28 LYS H 1 28 LYS HG3 . . 4.320 2.822 1.997 3.851 . 0 0 "[ . 1 . 2]" 1
424 1 28 LYS H 1 29 LYS H . . 3.930 2.713 2.528 2.830 . 0 0 "[ . 1 . 2]" 1
425 1 28 LYS H 1 29 LYS QB . . 4.890 4.608 4.340 4.894 0.004 14 0 "[ . 1 . 2]" 1
426 1 28 LYS QB 1 29 LYS H . . 4.230 3.240 2.465 3.604 . 0 0 "[ . 1 . 2]" 1
427 1 29 LYS H 1 29 LYS HB2 . . 3.560 2.514 2.069 3.530 . 0 0 "[ . 1 . 2]" 1
428 1 29 LYS H 1 29 LYS QB . . 2.900 2.287 2.049 2.623 . 0 0 "[ . 1 . 2]" 1
429 1 29 LYS H 1 29 LYS HB3 . . 3.560 3.322 2.228 3.586 0.026 8 0 "[ . 1 . 2]" 1
430 1 29 LYS H 1 29 LYS QD . . 4.090 3.727 2.502 4.101 0.011 15 0 "[ . 1 . 2]" 1
431 1 29 LYS H 1 29 LYS QE . . 4.870 4.040 2.410 4.870 . 20 0 "[ . 1 . 2]" 1
432 1 29 LYS H 1 29 LYS HG2 . . 4.400 3.460 2.534 4.391 . 0 0 "[ . 1 . 2]" 1
433 1 29 LYS H 1 29 LYS QG . . 3.770 2.690 1.974 3.776 0.006 6 0 "[ . 1 . 2]" 1
434 1 29 LYS H 1 29 LYS HG3 . . 4.400 3.069 2.004 4.196 . 0 0 "[ . 1 . 2]" 1
435 1 29 LYS HA 1 29 LYS QE . . 4.670 4.110 2.221 4.618 . 0 0 "[ . 1 . 2]" 1
436 1 29 LYS HA 1 29 LYS QG . . 3.650 2.513 2.141 3.305 . 0 0 "[ . 1 . 2]" 1
437 1 29 LYS QB 1 29 LYS QD . . 2.950 2.247 2.092 2.596 . 0 0 "[ . 1 . 2]" 1
438 1 29 LYS QB 1 29 LYS QE . . 2.900 2.328 1.950 2.901 0.001 3 0 "[ . 1 . 2]" 1
439 1 29 LYS QB 1 30 ASN H . . 3.590 2.928 2.680 3.539 . 0 0 "[ . 1 . 2]" 1
440 1 29 LYS QD 1 29 LYS QE . . 2.250 2.053 2.006 2.091 . 0 0 "[ . 1 . 2]" 1
441 1 29 LYS QE 1 29 LYS QG . . 3.320 2.241 1.968 2.596 . 0 0 "[ . 1 . 2]" 1
442 1 29 LYS QG 1 30 ASN H . . 4.810 3.987 2.107 4.605 . 0 0 "[ . 1 . 2]" 1
443 1 30 ASN H 1 30 ASN HB2 . . 3.960 2.445 2.128 2.885 . 0 0 "[ . 1 . 2]" 1
444 1 30 ASN H 1 30 ASN QB . . 3.360 2.233 2.108 2.304 . 0 0 "[ . 1 . 2]" 1
445 1 30 ASN H 1 30 ASN HB3 . . 3.960 2.794 2.273 3.575 . 0 0 "[ . 1 . 2]" 1
446 1 30 ASN H 1 30 ASN QD . . 4.340 4.081 2.143 4.339 . 0 0 "[ . 1 . 2]" 1
447 1 30 ASN H 1 31 ILE H . . 3.760 2.485 2.441 2.596 . 0 0 "[ . 1 . 2]" 1
448 1 30 ASN HA 1 30 ASN HD21 . . 4.630 3.223 2.014 4.358 . 0 0 "[ . 1 . 2]" 1
449 1 30 ASN HA 1 30 ASN QD . . 4.060 3.054 2.004 3.932 . 0 0 "[ . 1 . 2]" 1
450 1 30 ASN HA 1 30 ASN HD22 . . 4.630 3.982 3.298 4.613 . 0 0 "[ . 1 . 2]" 1
451 1 30 ASN QB 1 31 ILE H . . 3.620 2.683 2.324 2.847 . 0 0 "[ . 1 . 2]" 1
452 1 30 ASN HB2 1 31 ILE H . . 4.320 3.648 2.652 4.141 . 0 0 "[ . 1 . 2]" 1
453 1 30 ASN HB3 1 31 ILE H . . 4.320 2.859 2.357 3.501 . 0 0 "[ . 1 . 2]" 1
454 1 31 ILE H 1 31 ILE HB . . 3.660 2.589 2.370 2.651 . 0 0 "[ . 1 . 2]" 1
455 1 31 ILE H 1 31 ILE MD . . 4.470 2.892 1.886 3.193 . 0 0 "[ . 1 . 2]" 1
456 1 31 ILE H 1 31 ILE QG . . 3.920 2.176 1.935 3.237 . 0 0 "[ . 1 . 2]" 1
457 1 31 ILE H 1 31 ILE MG . . 4.450 3.766 3.722 3.775 . 0 0 "[ . 1 . 2]" 1
458 1 31 ILE H 1 32 GLU H . . 3.940 2.691 2.587 2.877 . 0 0 "[ . 1 . 2]" 1
459 1 31 ILE HA 1 34 LEU HB3 . . 4.750 4.101 3.454 4.755 0.005 14 0 "[ . 1 . 2]" 1
460 1 31 ILE MD 1 31 ILE MG . . 3.520 2.172 1.923 3.216 . 0 0 "[ . 1 . 2]" 1
461 1 31 ILE QG 1 32 GLU H . . 4.470 3.883 3.701 4.362 . 0 0 "[ . 1 . 2]" 1
462 1 31 ILE MG 1 32 GLU HA . . 4.470 3.562 2.996 3.780 . 0 0 "[ . 1 . 2]" 1
463 1 32 GLU H 1 32 GLU HB2 . . 3.850 3.562 3.508 3.579 . 0 0 "[ . 1 . 2]" 1
464 1 32 GLU H 1 32 GLU QB . . 3.340 2.307 2.185 2.365 . 0 0 "[ . 1 . 2]" 1
465 1 32 GLU H 1 32 GLU HB3 . . 3.850 2.337 2.207 2.399 . 0 0 "[ . 1 . 2]" 1
466 1 32 GLU H 1 32 GLU HG2 . . 3.970 2.567 2.378 3.692 . 0 0 "[ . 1 . 2]" 1
467 1 32 GLU H 1 32 GLU QG . . 3.410 2.487 2.344 2.802 . 0 0 "[ . 1 . 2]" 1
468 1 32 GLU H 1 32 GLU HG3 . . 3.970 3.673 2.903 4.024 0.054 11 0 "[ . 1 . 2]" 1
469 1 32 GLU HA 1 32 GLU QG . . 3.680 3.331 3.309 3.441 . 0 0 "[ . 1 . 2]" 1
470 1 32 GLU HA 1 35 LEU H . . 3.850 3.571 3.339 3.855 0.005 16 0 "[ . 1 . 2]" 1
471 1 32 GLU HA 1 35 LEU QB . . 3.920 2.718 2.526 2.935 . 0 0 "[ . 1 . 2]" 1
472 1 32 GLU HA 1 35 LEU MD2 . . 3.810 3.398 3.072 3.675 . 0 0 "[ . 1 . 2]" 1
473 1 32 GLU QB 1 33 ASP H . . 3.640 3.519 3.473 3.564 . 0 0 "[ . 1 . 2]" 1
474 1 32 GLU HB2 1 33 ASP H . . 4.150 4.021 3.924 4.171 0.021 14 0 "[ . 1 . 2]" 1
475 1 32 GLU HB3 1 33 ASP H . . 4.150 3.890 3.716 3.945 . 0 0 "[ . 1 . 2]" 1
476 1 32 GLU QG 1 33 ASP H . . 4.060 2.245 2.066 2.376 . 0 0 "[ . 1 . 2]" 1
477 1 32 GLU HG2 1 33 ASP HA . . 4.460 4.274 3.616 4.748 0.288 14 0 "[ . 1 . 2]" 1
478 1 32 GLU HG3 1 33 ASP HA . . 4.460 3.259 3.143 3.627 . 0 0 "[ . 1 . 2]" 1
479 1 33 ASP H 1 33 ASP HB2 . . 4.050 2.372 2.140 2.842 . 0 0 "[ . 1 . 2]" 1
480 1 33 ASP H 1 33 ASP QB . . 3.520 2.263 2.121 2.553 . 0 0 "[ . 1 . 2]" 1
481 1 33 ASP H 1 33 ASP HB3 . . 4.050 3.153 2.292 3.609 . 0 0 "[ . 1 . 2]" 1
482 1 33 ASP H 1 34 LEU H . . 3.960 2.630 2.486 2.863 . 0 0 "[ . 1 . 2]" 1
483 1 33 ASP H 1 34 LEU HB2 . . 4.700 4.487 4.318 4.705 0.005 14 0 "[ . 1 . 2]" 1
484 1 33 ASP H 1 34 LEU QD . . 5.500 4.986 3.900 5.506 0.006 14 0 "[ . 1 . 2]" 1
485 1 33 ASP HA 1 36 LYS H . . 4.220 3.502 3.341 3.662 . 0 0 "[ . 1 . 2]" 1
486 1 33 ASP HA 1 36 LYS HA . . 5.450 5.353 5.127 5.462 0.012 11 0 "[ . 1 . 2]" 1
487 1 33 ASP HA 1 36 LYS QB . . 3.670 2.682 2.472 2.924 . 0 0 "[ . 1 . 2]" 1
488 1 33 ASP HA 1 36 LYS QD . . 4.070 3.315 2.089 4.042 . 0 0 "[ . 1 . 2]" 1
489 1 33 ASP HA 1 37 GLU H . . 4.690 4.518 4.176 4.691 0.001 5 0 "[ . 1 . 2]" 1
490 1 33 ASP QB 1 36 LYS QB . . 4.750 4.320 3.974 4.556 . 0 0 "[ . 1 . 2]" 1
491 1 34 LEU H 1 34 LEU HB2 . . 3.890 2.124 2.043 2.215 . 0 0 "[ . 1 . 2]" 1
492 1 34 LEU H 1 34 LEU HB3 . . 3.890 3.245 2.883 3.505 . 0 0 "[ . 1 . 2]" 1
493 1 34 LEU H 1 34 LEU QD . . 4.360 3.233 2.251 3.726 . 0 0 "[ . 1 . 2]" 1
494 1 34 LEU H 1 35 LEU H . . 4.070 2.672 2.517 2.856 . 0 0 "[ . 1 . 2]" 1
495 1 34 LEU H 1 36 LYS QB . . 5.030 4.778 4.560 5.027 . 0 0 "[ . 1 . 2]" 1
496 1 34 LEU HA 1 34 LEU QD . . 3.790 2.387 1.969 2.946 . 0 0 "[ . 1 . 2]" 1
497 1 34 LEU HA 1 36 LYS QB . . 4.910 4.836 4.642 4.929 0.019 9 0 "[ . 1 . 2]" 1
498 1 34 LEU HB2 1 35 LEU H . . 3.540 3.115 2.594 3.536 . 0 0 "[ . 1 . 2]" 1
499 1 34 LEU HB2 1 77 ALA MB . . 5.000 4.755 4.500 5.006 0.006 15 0 "[ . 1 . 2]" 1
500 1 34 LEU HB3 1 35 LEU H . . 3.470 2.932 2.401 3.321 . 0 0 "[ . 1 . 2]" 1
501 1 34 LEU HB3 1 74 ILE HA . . 5.010 4.697 4.054 4.988 . 0 0 "[ . 1 . 2]" 1
502 1 34 LEU HB3 1 74 ILE MG . . 4.260 4.166 3.942 4.265 0.005 16 0 "[ . 1 . 2]" 1
503 1 34 LEU HB3 1 77 ALA MB . . 4.900 4.752 4.371 4.912 0.012 9 0 "[ . 1 . 2]" 1
504 1 34 LEU QD 1 35 LEU H . . 4.220 3.974 3.678 4.149 . 0 0 "[ . 1 . 2]" 1
505 1 34 LEU QD 1 36 LYS H . . 5.410 5.261 4.870 5.421 0.011 16 0 "[ . 1 . 2]" 1
506 1 34 LEU QD 1 73 VAL H . . 5.500 4.989 4.505 5.497 . 0 0 "[ . 1 . 2]" 1
507 1 34 LEU QD 1 73 VAL HA . . 5.500 4.812 4.281 5.182 . 0 0 "[ . 1 . 2]" 1
508 1 34 LEU QD 1 74 ILE H . . 4.100 3.724 3.185 4.102 0.002 11 0 "[ . 1 . 2]" 1
509 1 34 LEU QD 1 74 ILE HA . . 3.450 2.420 2.102 2.748 . 0 0 "[ . 1 . 2]" 1
510 1 34 LEU QD 1 77 ALA MB . . 3.820 3.146 2.752 3.457 . 0 0 "[ . 1 . 2]" 1
511 1 35 LEU H 1 35 LEU HB2 . . 3.460 2.664 2.515 2.781 . 0 0 "[ . 1 . 2]" 1
512 1 35 LEU H 1 35 LEU HB3 . . 3.460 2.369 2.277 2.495 . 0 0 "[ . 1 . 2]" 1
513 1 35 LEU H 1 35 LEU MD2 . . 4.240 4.188 4.147 4.236 . 0 0 "[ . 1 . 2]" 1
514 1 35 LEU H 1 36 LYS H . . 3.910 2.587 2.514 2.758 . 0 0 "[ . 1 . 2]" 1
515 1 35 LEU HA 1 35 LEU MD1 . . 3.430 2.201 2.058 2.407 . 0 0 "[ . 1 . 2]" 1
516 1 35 LEU HA 1 35 LEU MD2 . . 4.080 3.891 3.822 3.963 . 0 0 "[ . 1 . 2]" 1
517 1 35 LEU HA 1 38 LEU QB . . 3.950 2.441 2.024 2.807 . 0 0 "[ . 1 . 2]" 1
518 1 35 LEU HA 1 38 LEU QD . . 4.520 3.402 2.336 3.839 . 0 0 "[ . 1 . 2]" 1
519 1 35 LEU QB 1 35 LEU MD1 . . 3.200 2.296 2.165 2.368 . 0 0 "[ . 1 . 2]" 1
520 1 35 LEU QB 1 35 LEU MD2 . . 3.190 2.063 2.032 2.095 . 0 0 "[ . 1 . 2]" 1
521 1 35 LEU QB 1 36 LYS H . . 4.380 2.735 2.650 2.798 . 0 0 "[ . 1 . 2]" 1
522 1 35 LEU MD1 1 36 LYS H . . 4.560 4.375 4.238 4.547 . 0 0 "[ . 1 . 2]" 1
523 1 35 LEU MD1 1 37 GLU H . . 5.500 5.340 4.846 5.501 0.001 8 0 "[ . 1 . 2]" 1
524 1 35 LEU MD1 1 39 LYS QB . . 3.930 3.860 3.608 3.933 0.003 9 0 "[ . 1 . 2]" 1
525 1 35 LEU MD1 1 39 LYS HG2 . . 3.740 2.296 2.022 2.887 . 0 0 "[ . 1 . 2]" 1
526 1 35 LEU HG 1 36 LYS H . . 3.990 3.736 3.352 3.969 . 0 0 "[ . 1 . 2]" 1
527 1 35 LEU HG 1 38 LEU H . . 5.500 5.380 4.882 5.503 0.003 9 0 "[ . 1 . 2]" 1
528 1 35 LEU HG 1 39 LYS QB . . 4.260 4.028 3.666 4.252 . 0 0 "[ . 1 . 2]" 1
529 1 35 LEU HG 1 39 LYS HG3 . . 3.230 2.644 1.996 3.230 . 15 0 "[ . 1 . 2]" 1
530 1 36 LYS H 1 36 LYS QB . . 3.330 2.216 2.051 2.440 . 0 0 "[ . 1 . 2]" 1
531 1 36 LYS H 1 36 LYS QD . . 4.280 4.159 3.614 4.285 0.005 14 0 "[ . 1 . 2]" 1
532 1 36 LYS H 1 36 LYS HG2 . . 4.650 4.323 2.794 4.621 . 0 0 "[ . 1 . 2]" 1
533 1 36 LYS H 1 36 LYS QG . . 4.060 3.610 2.407 3.989 . 0 0 "[ . 1 . 2]" 1
534 1 36 LYS H 1 36 LYS HG3 . . 4.650 3.935 2.628 4.561 . 0 0 "[ . 1 . 2]" 1
535 1 36 LYS H 1 37 GLU QG . . 4.610 4.232 3.685 4.651 0.041 18 0 "[ . 1 . 2]" 1
536 1 36 LYS H 1 38 LEU H . . 4.550 4.106 3.886 4.513 . 0 0 "[ . 1 . 2]" 1
537 1 36 LYS HA 1 36 LYS QG . . 3.710 2.318 2.176 2.500 . 0 0 "[ . 1 . 2]" 1
538 1 36 LYS QB 1 37 GLU H . . 3.640 2.536 2.372 2.847 . 0 0 "[ . 1 . 2]" 1
539 1 37 GLU H 1 37 GLU HB2 . . 3.900 2.796 2.405 3.604 . 0 0 "[ . 1 . 2]" 1
540 1 37 GLU H 1 37 GLU QB . . 3.410 2.497 2.240 2.625 . 0 0 "[ . 1 . 2]" 1
541 1 37 GLU H 1 37 GLU HB3 . . 3.900 3.349 2.266 3.611 . 0 0 "[ . 1 . 2]" 1
542 1 37 GLU H 1 37 GLU HG2 . . 4.110 2.966 1.947 3.962 . 0 0 "[ . 1 . 2]" 1
543 1 37 GLU H 1 37 GLU HG3 . . 4.110 2.772 1.969 4.040 . 0 0 "[ . 1 . 2]" 1
544 1 37 GLU H 1 38 LEU H . . 3.980 2.561 2.450 2.668 . 0 0 "[ . 1 . 2]" 1
545 1 37 GLU H 1 38 LEU HA . . 5.250 5.187 5.087 5.271 0.021 18 0 "[ . 1 . 2]" 1
546 1 37 GLU H 1 38 LEU QD . . 4.340 4.032 3.642 4.344 0.004 9 0 "[ . 1 . 2]" 1
547 1 37 GLU H 1 108 LEU MD1 . . 5.500 5.214 4.706 5.502 0.002 20 0 "[ . 1 . 2]" 1
548 1 37 GLU H 1 108 LEU QD . . 4.810 4.598 4.221 4.815 0.005 12 0 "[ . 1 . 2]" 1
549 1 37 GLU H 1 108 LEU MD2 . . 5.500 5.161 4.650 5.503 0.003 5 0 "[ . 1 . 2]" 1
550 1 37 GLU HA 1 108 LEU QD . . 4.140 2.722 2.296 2.977 . 0 0 "[ . 1 . 2]" 1
551 1 37 GLU QB 1 38 LEU HA . . 4.820 3.990 3.763 4.597 . 0 0 "[ . 1 . 2]" 1
552 1 37 GLU QB 1 38 LEU QD . . 3.920 2.906 2.460 3.710 . 0 0 "[ . 1 . 2]" 1
553 1 37 GLU QB 1 104 THR MG . . 3.790 3.053 2.371 3.792 0.002 3 0 "[ . 1 . 2]" 1
554 1 37 GLU QB 1 108 LEU QD . . 4.070 2.397 1.989 2.997 . 0 0 "[ . 1 . 2]" 1
555 1 37 GLU QG 1 38 LEU H . . 4.730 3.558 2.074 4.168 . 0 0 "[ . 1 . 2]" 1
556 1 37 GLU QG 1 104 THR MG . . 4.390 3.412 2.091 4.312 . 0 0 "[ . 1 . 2]" 1
557 1 38 LEU H 1 38 LEU QB . . 3.310 2.180 2.055 2.635 . 0 0 "[ . 1 . 2]" 1
558 1 38 LEU H 1 38 LEU MD1 . . 4.140 3.734 2.398 4.131 . 0 0 "[ . 1 . 2]" 1
559 1 38 LEU H 1 38 LEU QD . . 3.590 2.422 1.960 2.825 . 0 0 "[ . 1 . 2]" 1
560 1 38 LEU H 1 38 LEU MD2 . . 4.140 2.679 1.965 4.115 . 0 0 "[ . 1 . 2]" 1
561 1 38 LEU H 1 39 LYS H . . 4.260 2.571 2.454 2.741 . 0 0 "[ . 1 . 2]" 1
562 1 38 LEU HA 1 38 LEU MD1 . . 4.110 2.419 1.979 3.858 . 0 0 "[ . 1 . 2]" 1
563 1 38 LEU HA 1 38 LEU QD . . 3.230 2.064 1.883 2.492 . 0 0 "[ . 1 . 2]" 1
564 1 38 LEU HA 1 38 LEU MD2 . . 4.110 2.553 2.180 3.769 . 0 0 "[ . 1 . 2]" 1
565 1 38 LEU HA 1 41 MET HB2 . . 4.750 2.376 2.002 2.672 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU HA 1 41 MET QB . . 4.180 2.354 1.988 2.647 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU HA 1 41 MET HB3 . . 4.750 3.870 3.186 4.298 . 0 0 "[ . 1 . 2]" 1
568 1 38 LEU HA 1 41 MET ME . . 4.510 4.153 3.276 4.510 0.000 8 0 "[ . 1 . 2]" 1
569 1 38 LEU HA 1 41 MET QG . . 5.160 3.672 2.389 4.317 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU QB 1 39 LYS H . . 4.290 2.787 2.522 2.971 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU QD 1 70 LEU HB2 . . 4.770 4.242 3.480 4.772 0.002 20 0 "[ . 1 . 2]" 1
572 1 38 LEU QD 1 70 LEU HB3 . . 3.810 3.332 2.619 3.819 0.009 9 0 "[ . 1 . 2]" 1
573 1 38 LEU QD 1 71 SER HA . . 4.580 3.725 2.779 4.262 . 0 0 "[ . 1 . 2]" 1
574 1 39 LYS H 1 39 LYS QB . . 3.480 2.210 2.148 2.496 . 0 0 "[ . 1 . 2]" 1
575 1 39 LYS H 1 39 LYS QD . . 4.950 4.322 4.185 4.470 . 0 0 "[ . 1 . 2]" 1
576 1 39 LYS H 1 39 LYS HG2 . . 3.880 2.964 2.686 3.262 . 0 0 "[ . 1 . 2]" 1
577 1 39 LYS H 1 39 LYS HG3 . . 4.430 3.474 2.540 3.784 . 0 0 "[ . 1 . 2]" 1
578 1 39 LYS H 1 40 THR H . . 4.050 2.752 2.635 2.920 . 0 0 "[ . 1 . 2]" 1
579 1 39 LYS H 1 40 THR MG . . 4.730 4.239 3.824 4.689 . 0 0 "[ . 1 . 2]" 1
580 1 39 LYS HA 1 39 LYS HD2 . . 4.170 3.248 2.353 4.025 . 0 0 "[ . 1 . 2]" 1
581 1 39 LYS HA 1 39 LYS QD . . 3.570 2.693 2.284 3.467 . 0 0 "[ . 1 . 2]" 1
582 1 39 LYS HA 1 39 LYS HD3 . . 4.170 3.137 2.328 4.172 0.002 11 0 "[ . 1 . 2]" 1
583 1 39 LYS HA 1 39 LYS HG2 . . 4.160 2.364 2.149 2.492 . 0 0 "[ . 1 . 2]" 1
584 1 39 LYS HA 1 39 LYS HG3 . . 3.960 3.575 3.342 3.642 . 0 0 "[ . 1 . 2]" 1
585 1 39 LYS HA 1 42 ASN HB2 . . 4.650 4.183 3.441 4.651 0.001 7 0 "[ . 1 . 2]" 1
586 1 39 LYS HA 1 42 ASN HB3 . . 4.360 3.389 2.836 3.974 . 0 0 "[ . 1 . 2]" 1
587 1 39 LYS QB 1 39 LYS QD . . 2.670 2.133 1.946 2.355 . 0 0 "[ . 1 . 2]" 1
588 1 39 LYS QB 1 40 THR H . . 3.620 2.642 2.260 2.938 . 0 0 "[ . 1 . 2]" 1
589 1 39 LYS QB 1 40 THR MG . . 4.540 3.248 2.948 4.033 . 0 0 "[ . 1 . 2]" 1
590 1 39 LYS QD 1 40 THR H . . 4.990 4.916 4.684 5.001 0.011 16 0 "[ . 1 . 2]" 1
591 1 40 THR H 1 40 THR HB . . 3.650 3.459 2.436 3.653 0.003 17 0 "[ . 1 . 2]" 1
592 1 40 THR H 1 40 THR MG . . 3.950 2.304 2.036 2.644 . 0 0 "[ . 1 . 2]" 1
593 1 40 THR H 1 41 MET H . . 3.970 2.519 2.366 2.716 . 0 0 "[ . 1 . 2]" 1
594 1 40 THR H 1 108 LEU QD . . 4.900 4.548 4.059 4.791 . 0 0 "[ . 1 . 2]" 1
595 1 40 THR HA 1 40 THR MG . . 3.400 2.494 2.244 3.202 . 0 0 "[ . 1 . 2]" 1
596 1 40 THR HA 1 43 ALA H . . 3.940 3.624 3.292 3.898 . 0 0 "[ . 1 . 2]" 1
597 1 40 THR HA 1 43 ALA MB . . 3.950 2.766 2.468 3.016 . 0 0 "[ . 1 . 2]" 1
598 1 40 THR HB 1 41 MET H . . 3.880 3.745 3.468 3.947 0.067 12 0 "[ . 1 . 2]" 1
599 1 40 THR HB 1 108 LEU QD . . 4.290 3.860 3.221 4.275 . 0 0 "[ . 1 . 2]" 1
600 1 40 THR MG 1 41 MET H . . 4.360 3.604 2.218 4.127 . 0 0 "[ . 1 . 2]" 1
601 1 40 THR MG 1 43 ALA MB . . 4.440 4.336 3.996 4.457 0.017 11 0 "[ . 1 . 2]" 1
602 1 41 MET H 1 41 MET HB2 . . 4.090 2.291 2.067 2.578 . 0 0 "[ . 1 . 2]" 1
603 1 41 MET H 1 41 MET QB . . 3.390 2.261 2.043 2.524 . 0 0 "[ . 1 . 2]" 1
604 1 41 MET H 1 41 MET HB3 . . 4.090 3.502 3.180 3.591 . 0 0 "[ . 1 . 2]" 1
605 1 41 MET H 1 41 MET ME . . 4.800 4.448 3.955 4.709 . 0 0 "[ . 1 . 2]" 1
606 1 41 MET H 1 41 MET HG2 . . 4.680 3.816 2.071 4.526 . 0 0 "[ . 1 . 2]" 1
607 1 41 MET H 1 41 MET QG . . 3.980 2.825 1.999 3.928 . 0 0 "[ . 1 . 2]" 1
608 1 41 MET H 1 41 MET HG3 . . 4.680 3.040 2.012 4.403 . 0 0 "[ . 1 . 2]" 1
609 1 41 MET H 1 42 ASN H . . 4.440 2.760 2.640 2.924 . 0 0 "[ . 1 . 2]" 1
610 1 41 MET H 1 108 LEU QD . . 4.170 4.117 3.736 4.175 0.005 17 0 "[ . 1 . 2]" 1
611 1 41 MET HA 1 41 MET ME . . 5.020 4.418 3.964 4.612 . 0 0 "[ . 1 . 2]" 1
612 1 41 MET HA 1 44 ALA H . . 3.680 3.410 3.274 3.678 . 0 0 "[ . 1 . 2]" 1
613 1 41 MET HA 1 44 ALA MB . . 3.520 2.299 2.030 2.989 . 0 0 "[ . 1 . 2]" 1
614 1 41 MET HB2 1 42 ASN H . . 4.120 2.633 2.336 3.213 . 0 0 "[ . 1 . 2]" 1
615 1 41 MET HB3 1 42 ASN H . . 4.120 3.196 2.611 3.698 . 0 0 "[ . 1 . 2]" 1
616 1 41 MET ME 1 41 MET HG2 . . 3.290 2.420 2.059 2.990 . 0 0 "[ . 1 . 2]" 1
617 1 41 MET ME 1 41 MET QG . . 2.820 2.115 1.981 2.216 . 0 0 "[ . 1 . 2]" 1
618 1 41 MET ME 1 41 MET HG3 . . 3.290 2.569 2.010 3.153 . 0 0 "[ . 1 . 2]" 1
619 1 41 MET ME 1 67 VAL HA . . 4.350 4.020 3.062 4.393 0.043 20 0 "[ . 1 . 2]" 1
620 1 41 MET ME 1 67 VAL MG1 . . 4.500 3.514 1.972 4.125 . 0 0 "[ . 1 . 2]" 1
621 1 41 MET ME 1 67 VAL QG . . 3.590 2.977 1.944 3.585 . 0 0 "[ . 1 . 2]" 1
622 1 41 MET ME 1 67 VAL MG2 . . 4.500 3.270 2.472 3.984 . 0 0 "[ . 1 . 2]" 1
623 1 41 MET ME 1 70 LEU QD . . 3.360 2.913 2.178 3.368 0.008 16 0 "[ . 1 . 2]" 1
624 1 41 MET ME 1 104 THR HA . . 3.740 2.926 2.331 3.265 . 0 0 "[ . 1 . 2]" 1
625 1 41 MET ME 1 104 THR HB . . 3.510 3.205 2.570 3.515 0.005 17 0 "[ . 1 . 2]" 1
626 1 41 MET ME 1 104 THR MG . . 3.590 3.301 2.231 3.607 0.017 17 0 "[ . 1 . 2]" 1
627 1 41 MET ME 1 107 LEU H . . 4.540 3.758 3.407 4.154 . 0 0 "[ . 1 . 2]" 1
628 1 41 MET ME 1 107 LEU HA . . 4.610 4.291 4.081 4.569 . 0 0 "[ . 1 . 2]" 1
629 1 41 MET ME 1 107 LEU MD1 . . 3.930 2.514 1.870 3.899 . 0 0 "[ . 1 . 2]" 1
630 1 41 MET ME 1 107 LEU QD . . 3.380 2.074 1.863 2.936 . 0 0 "[ . 1 . 2]" 1
631 1 41 MET ME 1 107 LEU MD2 . . 3.930 3.252 1.923 3.929 . 0 0 "[ . 1 . 2]" 1
632 1 41 MET ME 1 108 LEU H . . 4.040 3.293 2.883 3.549 . 0 0 "[ . 1 . 2]" 1
633 1 41 MET ME 1 108 LEU HA . . 3.910 3.743 3.264 3.938 0.028 20 0 "[ . 1 . 2]" 1
634 1 41 MET ME 1 108 LEU QD . . 3.760 2.121 1.775 2.739 . 0 0 "[ . 1 . 2]" 1
635 1 41 MET ME 1 109 LYS H . . 5.410 5.373 5.077 5.429 0.019 20 0 "[ . 1 . 2]" 1
636 1 41 MET QG 1 44 ALA MB . . 4.440 3.912 3.588 4.373 . 0 0 "[ . 1 . 2]" 1
637 1 41 MET QG 1 67 VAL QG . . 3.980 2.530 1.833 3.418 . 0 0 "[ . 1 . 2]" 1
638 1 42 ASN H 1 42 ASN HB2 . . 3.750 2.520 2.185 2.740 . 0 0 "[ . 1 . 2]" 1
639 1 42 ASN H 1 42 ASN HB3 . . 3.900 2.562 2.338 2.944 . 0 0 "[ . 1 . 2]" 1
640 1 42 ASN H 1 43 ALA H . . 3.900 2.768 2.617 2.921 . 0 0 "[ . 1 . 2]" 1
641 1 42 ASN HA 1 46 ILE MD . . 5.100 4.940 4.692 5.101 0.001 1 0 "[ . 1 . 2]" 1
642 1 42 ASN HB2 1 43 ALA H . . 4.380 3.829 3.496 4.087 . 0 0 "[ . 1 . 2]" 1
643 1 42 ASN HB3 1 43 ALA H . . 4.010 2.569 2.241 2.816 . 0 0 "[ . 1 . 2]" 1
644 1 42 ASN HB3 1 43 ALA MB . . 4.370 3.917 3.690 4.154 . 0 0 "[ . 1 . 2]" 1
645 1 42 ASN QD 1 43 ALA H . . 5.260 4.314 3.396 4.661 . 0 0 "[ . 1 . 2]" 1
646 1 42 ASN QD 1 46 ILE MD . . 3.530 3.370 2.796 3.527 . 0 0 "[ . 1 . 2]" 1
647 1 42 ASN HD21 1 46 ILE MD . . 4.340 4.012 2.883 4.342 0.002 12 0 "[ . 1 . 2]" 1
648 1 42 ASN HD22 1 46 ILE MD . . 4.340 3.753 3.379 4.286 . 0 0 "[ . 1 . 2]" 1
649 1 43 ALA H 1 43 ALA MB . . 3.100 2.192 2.061 2.247 . 0 0 "[ . 1 . 2]" 1
650 1 43 ALA H 1 44 ALA H . . 3.780 2.545 2.513 2.730 . 0 0 "[ . 1 . 2]" 1
651 1 43 ALA H 1 46 ILE MD . . 5.500 4.641 4.027 5.505 0.005 9 0 "[ . 1 . 2]" 1
652 1 43 ALA HA 1 45 LEU H . . 4.590 4.453 4.344 4.504 . 0 0 "[ . 1 . 2]" 1
653 1 43 ALA HA 1 45 LEU HG . . 4.460 4.139 4.009 4.266 . 0 0 "[ . 1 . 2]" 1
654 1 43 ALA HA 1 46 ILE H . . 4.050 3.456 3.376 3.528 . 0 0 "[ . 1 . 2]" 1
655 1 43 ALA HA 1 46 ILE HB . . 3.980 3.211 3.102 3.373 . 0 0 "[ . 1 . 2]" 1
656 1 43 ALA HA 1 46 ILE MD . . 3.840 2.610 1.899 3.821 . 0 0 "[ . 1 . 2]" 1
657 1 43 ALA HA 1 46 ILE QG . . 4.290 2.644 2.091 3.176 . 0 0 "[ . 1 . 2]" 1
658 1 43 ALA MB 1 44 ALA H . . 3.130 2.847 2.750 2.922 . 0 0 "[ . 1 . 2]" 1
659 1 43 ALA MB 1 46 ILE MD . . 4.870 3.619 2.942 4.862 . 0 0 "[ . 1 . 2]" 1
660 1 44 ALA H 1 44 ALA MB . . 3.130 2.049 2.025 2.140 . 0 0 "[ . 1 . 2]" 1
661 1 44 ALA H 1 45 LEU H . . 3.840 2.773 2.689 2.853 . 0 0 "[ . 1 . 2]" 1
662 1 44 ALA HA 1 46 ILE HB . . 5.410 4.854 4.763 4.926 . 0 0 "[ . 1 . 2]" 1
663 1 44 ALA HA 1 47 LYS H . . 3.420 3.350 3.272 3.397 . 0 0 "[ . 1 . 2]" 1
664 1 44 ALA HA 1 47 LYS HB2 . . 4.690 2.966 2.896 3.012 . 0 0 "[ . 1 . 2]" 1
665 1 44 ALA HA 1 47 LYS HB3 . . 5.500 4.594 4.496 4.647 . 0 0 "[ . 1 . 2]" 1
666 1 44 ALA HA 1 47 LYS HD3 . . 4.040 3.283 2.708 3.999 . 0 0 "[ . 1 . 2]" 1
667 1 44 ALA HA 1 48 ILE H . . 4.110 3.713 3.679 3.793 . 0 0 "[ . 1 . 2]" 1
668 1 44 ALA HA 1 48 ILE MG . . 3.640 3.441 3.327 3.594 . 0 0 "[ . 1 . 2]" 1
669 1 44 ALA MB 1 45 LEU H . . 3.810 2.553 2.529 2.584 . 0 0 "[ . 1 . 2]" 1
670 1 44 ALA MB 1 48 ILE HB . . 5.230 5.226 5.202 5.236 0.006 7 0 "[ . 1 . 2]" 1
671 1 44 ALA MB 1 48 ILE MD . . 4.230 4.195 4.077 4.235 0.005 9 0 "[ . 1 . 2]" 1
672 1 44 ALA MB 1 48 ILE HG12 . . 3.620 3.103 3.025 3.152 . 0 0 "[ . 1 . 2]" 1
673 1 44 ALA MB 1 48 ILE MG . . 3.460 3.042 2.867 3.128 . 0 0 "[ . 1 . 2]" 1
674 1 44 ALA MB 1 63 TRP HH2 . . 3.970 2.362 1.930 3.072 . 0 0 "[ . 1 . 2]" 1
675 1 44 ALA MB 1 63 TRP HZ2 . . 4.220 3.040 2.374 3.728 . 0 0 "[ . 1 . 2]" 1
676 1 44 ALA MB 1 111 VAL MG1 . . 4.150 2.826 1.893 4.128 . 0 0 "[ . 1 . 2]" 1
677 1 44 ALA MB 1 111 VAL MG2 . . 4.150 3.121 2.557 4.156 0.006 9 0 "[ . 1 . 2]" 1
678 1 45 LEU H 1 45 LEU QB . . 3.440 2.233 2.211 2.242 . 0 0 "[ . 1 . 2]" 1
679 1 45 LEU H 1 45 LEU QD . . 3.820 2.952 2.893 3.109 . 0 0 "[ . 1 . 2]" 1
680 1 45 LEU H 1 45 LEU HG . . 3.420 2.859 2.821 2.928 . 0 0 "[ . 1 . 2]" 1
681 1 45 LEU H 1 47 LYS H . . 4.820 4.467 4.418 4.562 . 0 0 "[ . 1 . 2]" 1
682 1 45 LEU HA 1 48 ILE MD . . 4.750 2.468 2.299 2.531 . 0 0 "[ . 1 . 2]" 1
683 1 45 LEU HA 1 48 ILE HG12 . . 3.920 2.517 2.448 2.587 . 0 0 "[ . 1 . 2]" 1
684 1 45 LEU HA 1 63 TRP HH2 . . 4.930 4.468 3.316 4.930 0.000 16 0 "[ . 1 . 2]" 1
685 1 45 LEU QB 1 46 ILE H . . 4.110 3.569 3.532 3.593 . 0 0 "[ . 1 . 2]" 1
686 1 45 LEU QD 1 46 ILE H . . 3.920 3.142 2.993 3.245 . 0 0 "[ . 1 . 2]" 1
687 1 45 LEU MD1 1 46 ILE H . . 4.490 3.339 3.126 3.514 . 0 0 "[ . 1 . 2]" 1
688 1 45 LEU MD2 1 46 ILE H . . 4.490 3.834 3.799 3.899 . 0 0 "[ . 1 . 2]" 1
689 1 45 LEU HG 1 46 ILE HA . . 4.060 3.579 3.499 3.644 . 0 0 "[ . 1 . 2]" 1
690 1 45 LEU HG 1 46 ILE MD . . 3.750 3.144 2.070 3.720 . 0 0 "[ . 1 . 2]" 1
691 1 46 ILE H 1 46 ILE HB . . 3.270 2.571 2.501 2.650 . 0 0 "[ . 1 . 2]" 1
692 1 46 ILE H 1 46 ILE MD . . 3.740 3.296 2.968 3.504 . 0 0 "[ . 1 . 2]" 1
693 1 46 ILE H 1 46 ILE HG12 . . 4.390 3.016 2.000 3.717 . 0 0 "[ . 1 . 2]" 1
694 1 46 ILE H 1 46 ILE QG . . 3.780 2.093 1.989 2.240 . 0 0 "[ . 1 . 2]" 1
695 1 46 ILE H 1 46 ILE HG13 . . 4.390 2.650 2.087 3.577 . 0 0 "[ . 1 . 2]" 1
696 1 46 ILE H 1 46 ILE MG . . 3.830 3.773 3.768 3.779 . 0 0 "[ . 1 . 2]" 1
697 1 46 ILE H 1 47 LYS H . . 3.780 2.558 2.529 2.631 . 0 0 "[ . 1 . 2]" 1
698 1 46 ILE H 1 48 ILE HG13 . . 4.360 4.228 4.204 4.284 . 0 0 "[ . 1 . 2]" 1
699 1 46 ILE HA 1 46 ILE MD . . 3.930 3.224 1.970 3.883 . 0 0 "[ . 1 . 2]" 1
700 1 46 ILE HA 1 46 ILE HG12 . . 3.910 2.860 2.634 3.230 . 0 0 "[ . 1 . 2]" 1
701 1 46 ILE HA 1 46 ILE QG . . 3.420 2.667 2.452 3.056 . 0 0 "[ . 1 . 2]" 1
702 1 46 ILE HA 1 46 ILE HG13 . . 3.910 3.203 2.738 3.781 . 0 0 "[ . 1 . 2]" 1
703 1 46 ILE HA 1 46 ILE MG . . 3.340 2.284 2.189 2.349 . 0 0 "[ . 1 . 2]" 1
704 1 46 ILE HB 1 46 ILE MD . . 3.350 2.570 2.136 3.229 . 0 0 "[ . 1 . 2]" 1
705 1 46 ILE HB 1 47 LYS H . . 3.000 2.500 2.375 2.566 . 0 0 "[ . 1 . 2]" 1
706 1 46 ILE MD 1 46 ILE MG . . 2.400 2.171 1.984 2.363 . 0 0 "[ . 1 . 2]" 1
707 1 46 ILE MD 1 47 LYS H . . 4.550 4.381 4.246 4.525 . 0 0 "[ . 1 . 2]" 1
708 1 46 ILE MG 1 47 LYS H . . 3.710 3.481 3.306 3.636 . 0 0 "[ . 1 . 2]" 1
709 1 46 ILE MG 1 47 LYS HA . . 3.900 3.610 3.415 3.834 . 0 0 "[ . 1 . 2]" 1
710 1 46 ILE MG 1 47 LYS HD2 . . 3.790 2.991 2.653 3.717 . 0 0 "[ . 1 . 2]" 1
711 1 47 LYS H 1 47 LYS HB2 . . 3.080 2.231 2.174 2.312 . 0 0 "[ . 1 . 2]" 1
712 1 47 LYS H 1 47 LYS QG . . 3.660 3.471 3.227 3.605 . 0 0 "[ . 1 . 2]" 1
713 1 47 LYS H 1 48 ILE H . . 3.960 2.618 2.588 2.712 . 0 0 "[ . 1 . 2]" 1
714 1 47 LYS H 1 48 ILE HA . . 5.350 5.230 5.206 5.308 . 0 0 "[ . 1 . 2]" 1
715 1 47 LYS H 1 48 ILE HG13 . . 5.030 4.072 4.001 4.185 . 0 0 "[ . 1 . 2]" 1
716 1 47 LYS HA 1 47 LYS HD3 . . 4.040 3.830 3.116 4.024 . 0 0 "[ . 1 . 2]" 1
717 1 47 LYS HA 1 47 LYS QG . . 3.500 2.244 2.169 2.330 . 0 0 "[ . 1 . 2]" 1
718 1 47 LYS HB2 1 48 ILE HA . . 4.750 4.641 4.523 4.745 . 0 0 "[ . 1 . 2]" 1
719 1 47 LYS HB2 1 48 ILE HG13 . . 4.830 4.707 4.654 4.792 . 0 0 "[ . 1 . 2]" 1
720 1 47 LYS HB2 1 48 ILE MG . . 3.280 3.234 3.083 3.281 0.001 2 0 "[ . 1 . 2]" 1
721 1 47 LYS HB2 1 49 GLY H . . 4.880 4.701 4.653 4.754 . 0 0 "[ . 1 . 2]" 1
722 1 47 LYS HB3 1 48 ILE H . . 3.280 3.152 3.051 3.260 . 0 0 "[ . 1 . 2]" 1
723 1 47 LYS HB3 1 48 ILE HA . . 4.330 4.070 3.993 4.159 . 0 0 "[ . 1 . 2]" 1
724 1 47 LYS QE 1 47 LYS HG2 . . 3.520 2.436 2.024 2.965 . 0 0 "[ . 1 . 2]" 1
725 1 47 LYS QE 1 47 LYS QG . . 2.970 2.218 2.002 2.394 . 0 0 "[ . 1 . 2]" 1
726 1 47 LYS QE 1 47 LYS HG3 . . 3.520 2.689 2.420 3.215 . 0 0 "[ . 1 . 2]" 1
727 1 48 ILE H 1 48 ILE MD . . 4.410 3.829 3.789 3.865 . 0 0 "[ . 1 . 2]" 1
728 1 48 ILE H 1 48 ILE HG12 . . 3.680 3.110 3.038 3.147 . 0 0 "[ . 1 . 2]" 1
729 1 48 ILE H 1 48 ILE HG13 . . 3.780 2.272 2.218 2.313 . 0 0 "[ . 1 . 2]" 1
730 1 48 ILE H 1 48 ILE MG . . 3.680 2.112 2.028 2.312 . 0 0 "[ . 1 . 2]" 1
731 1 48 ILE H 1 49 GLY H . . 4.120 2.524 2.512 2.534 . 0 0 "[ . 1 . 2]" 1
732 1 48 ILE HA 1 48 ILE MD . . 4.140 3.747 3.708 3.789 . 0 0 "[ . 1 . 2]" 1
733 1 48 ILE HA 1 48 ILE HG13 . . 4.030 3.545 3.534 3.552 . 0 0 "[ . 1 . 2]" 1
734 1 48 ILE HA 1 48 ILE MG . . 3.160 2.392 2.317 2.442 . 0 0 "[ . 1 . 2]" 1
735 1 48 ILE HA 1 49 GLY QA . . 4.910 4.425 4.338 4.490 . 0 0 "[ . 1 . 2]" 1
736 1 48 ILE HA 1 51 VAL H . . 4.510 3.916 3.465 4.245 . 0 0 "[ . 1 . 2]" 1
737 1 48 ILE HA 1 51 VAL QG . . 3.280 2.821 1.907 3.279 . 0 0 "[ . 1 . 2]" 1
738 1 48 ILE MD 1 63 TRP HE3 . . 4.160 3.377 2.463 4.040 . 0 0 "[ . 1 . 2]" 1
739 1 48 ILE MD 1 63 TRP HH2 . . 4.380 3.769 3.145 4.247 . 0 0 "[ . 1 . 2]" 1
740 1 48 ILE MD 1 63 TRP HZ3 . . 4.220 2.305 2.012 2.696 . 0 0 "[ . 1 . 2]" 1
741 1 48 ILE HG12 1 49 GLY H . . 4.020 3.889 3.828 4.022 0.002 18 0 "[ . 1 . 2]" 1
742 1 48 ILE HG12 1 63 TRP HH2 . . 4.240 2.860 2.465 3.598 . 0 0 "[ . 1 . 2]" 1
743 1 48 ILE HG12 1 63 TRP HZ2 . . 5.140 5.006 4.444 5.145 0.005 9 0 "[ . 1 . 2]" 1
744 1 48 ILE HG12 1 63 TRP HZ3 . . 3.980 2.624 2.042 3.202 . 0 0 "[ . 1 . 2]" 1
745 1 48 ILE HG13 1 48 ILE MG . . 3.610 2.802 2.762 2.859 . 0 0 "[ . 1 . 2]" 1
746 1 48 ILE HG13 1 49 GLY H . . 4.820 2.153 2.086 2.298 . 0 0 "[ . 1 . 2]" 1
747 1 48 ILE HG13 1 63 TRP HH2 . . 4.570 4.473 4.212 4.573 0.003 20 0 "[ . 1 . 2]" 1
748 1 48 ILE MG 1 49 GLY H . . 4.110 3.927 3.896 3.968 . 0 0 "[ . 1 . 2]" 1
749 1 48 ILE MG 1 49 GLY QA . . 5.340 4.941 4.917 4.980 . 0 0 "[ . 1 . 2]" 1
750 1 49 GLY H 1 50 GLU H . . 3.940 2.565 2.306 2.759 . 0 0 "[ . 1 . 2]" 1
751 1 50 GLU H 1 50 GLU HB2 . . 3.700 2.526 2.185 3.573 . 0 0 "[ . 1 . 2]" 1
752 1 50 GLU H 1 50 GLU QB . . 3.240 2.256 2.134 2.423 . 0 0 "[ . 1 . 2]" 1
753 1 50 GLU H 1 50 GLU HB3 . . 3.700 2.730 2.373 3.647 . 0 0 "[ . 1 . 2]" 1
754 1 50 GLU H 1 50 GLU QG . . 4.300 3.805 2.406 4.063 . 0 0 "[ . 1 . 2]" 1
755 1 50 GLU H 1 51 VAL H . . 2.780 2.561 2.071 2.706 . 0 0 "[ . 1 . 2]" 1
756 1 50 GLU H 1 51 VAL QG . . 4.380 3.529 2.947 3.813 . 0 0 "[ . 1 . 2]" 1
757 1 50 GLU HA 1 50 GLU HG2 . . 4.190 3.152 2.231 3.820 . 0 0 "[ . 1 . 2]" 1
758 1 50 GLU HA 1 50 GLU QG . . 3.590 2.574 2.207 3.326 . 0 0 "[ . 1 . 2]" 1
759 1 50 GLU HA 1 50 GLU HG3 . . 4.190 2.890 2.297 3.786 . 0 0 "[ . 1 . 2]" 1
760 1 50 GLU HA 1 51 VAL MG1 . . 5.500 5.005 4.690 5.649 0.149 20 0 "[ . 1 . 2]" 1
761 1 50 GLU HA 1 51 VAL QG . . 4.780 4.397 4.000 4.751 . 0 0 "[ . 1 . 2]" 1
762 1 50 GLU HA 1 51 VAL MG2 . . 5.500 4.928 4.090 5.148 . 0 0 "[ . 1 . 2]" 1
763 1 50 GLU QB 1 51 VAL H . . 4.210 2.983 2.714 3.706 . 0 0 "[ . 1 . 2]" 1
764 1 51 VAL H 1 51 VAL HB . . 3.970 3.476 2.303 3.698 . 0 0 "[ . 1 . 2]" 1
765 1 51 VAL H 1 51 VAL MG1 . . 3.770 2.510 2.068 3.963 0.193 20 0 "[ . 1 . 2]" 1
766 1 51 VAL H 1 51 VAL QG . . 3.070 2.075 1.906 2.598 . 0 0 "[ . 1 . 2]" 1
767 1 51 VAL H 1 51 VAL MG2 . . 3.770 2.265 2.095 2.656 . 0 0 "[ . 1 . 2]" 1
768 1 51 VAL HA 1 52 PRO HD2 . . 3.660 2.337 2.101 2.379 . 0 0 "[ . 1 . 2]" 1
769 1 51 VAL HA 1 52 PRO HD3 . . 3.660 2.286 2.258 2.292 . 0 0 "[ . 1 . 2]" 1
770 1 51 VAL HA 1 52 PRO QG . . 4.260 3.965 3.833 3.989 . 0 0 "[ . 1 . 2]" 1
771 1 51 VAL HB 1 52 PRO QD . . 4.670 2.234 1.937 3.991 . 0 0 "[ . 1 . 2]" 1
772 1 51 VAL QG 1 52 PRO QD . . 3.480 2.719 1.886 2.873 . 0 0 "[ . 1 . 2]" 1
773 1 51 VAL QG 1 52 PRO QG . . 5.060 3.832 2.973 3.976 . 0 0 "[ . 1 . 2]" 1
774 1 51 VAL QG 1 53 PRO HA . . 5.220 4.582 4.221 5.241 0.021 20 0 "[ . 1 . 2]" 1
775 1 51 VAL QG 1 55 GLN H . . 3.920 3.853 3.258 3.938 0.018 12 0 "[ . 1 . 2]" 1
776 1 51 VAL QG 1 55 GLN HA . . 5.220 4.861 4.465 5.219 . 0 0 "[ . 1 . 2]" 1
777 1 51 VAL QG 1 55 GLN QB . . 3.520 2.572 2.018 3.541 0.021 12 0 "[ . 1 . 2]" 1
778 1 51 VAL QG 1 55 GLN QE . . 4.570 3.935 2.493 4.571 0.001 8 0 "[ . 1 . 2]" 1
779 1 51 VAL QG 1 55 GLN QG . . 4.180 3.064 1.862 4.153 . 0 0 "[ . 1 . 2]" 1
780 1 51 VAL QG 1 56 LEU H . . 4.920 4.200 3.497 4.930 0.010 10 0 "[ . 1 . 2]" 1
781 1 51 VAL MG1 1 52 PRO HD2 . . 4.710 3.060 1.906 3.281 . 0 0 "[ . 1 . 2]" 1
782 1 51 VAL MG1 1 52 PRO HD3 . . 4.710 3.869 3.188 4.003 . 0 0 "[ . 1 . 2]" 1
783 1 51 VAL MG1 1 55 GLN QG . . 5.500 3.536 1.873 4.878 . 0 0 "[ . 1 . 2]" 1
784 1 51 VAL MG2 1 52 PRO HD2 . . 4.710 3.434 2.997 3.981 . 0 0 "[ . 1 . 2]" 1
785 1 51 VAL MG2 1 52 PRO HD3 . . 4.710 4.367 3.828 4.559 . 0 0 "[ . 1 . 2]" 1
786 1 51 VAL MG2 1 55 GLN QG . . 5.500 3.564 2.042 5.026 . 0 0 "[ . 1 . 2]" 1
787 1 52 PRO HA 1 53 PRO HD2 . . 3.500 2.537 2.527 2.550 . 0 0 "[ . 1 . 2]" 1
788 1 52 PRO HA 1 53 PRO QD . . 3.070 2.176 2.169 2.185 . 0 0 "[ . 1 . 2]" 1
789 1 52 PRO HA 1 53 PRO HD3 . . 3.500 2.368 2.362 2.375 . 0 0 "[ . 1 . 2]" 1
790 1 52 PRO HB2 1 53 PRO HD2 . . 4.320 2.074 2.044 2.096 . 0 0 "[ . 1 . 2]" 1
791 1 52 PRO HB2 1 53 PRO HD3 . . 4.320 3.512 3.487 3.532 . 0 0 "[ . 1 . 2]" 1
792 1 52 PRO HB2 1 54 ASP HB2 . . 4.230 3.017 2.709 3.454 . 0 0 "[ . 1 . 2]" 1
793 1 52 PRO HB2 1 54 ASP QB . . 3.620 2.863 2.676 3.025 . 0 0 "[ . 1 . 2]" 1
794 1 52 PRO HB2 1 54 ASP HB3 . . 4.230 3.728 3.267 4.229 . 0 0 "[ . 1 . 2]" 1
795 1 52 PRO QD 1 55 GLN H . . 5.030 4.256 4.144 4.675 . 0 0 "[ . 1 . 2]" 1
796 1 52 PRO QD 1 55 GLN QG . . 4.690 2.946 2.180 3.993 . 0 0 "[ . 1 . 2]" 1
797 1 52 PRO QG 1 54 ASP H . . 3.650 3.093 3.039 3.424 . 0 0 "[ . 1 . 2]" 1
798 1 52 PRO QG 1 55 GLN QE . . 4.680 2.987 1.881 3.646 . 0 0 "[ . 1 . 2]" 1
799 1 52 PRO QG 1 55 GLN QG . . 3.660 2.517 1.966 3.548 . 0 0 "[ . 1 . 2]" 1
800 1 53 PRO HA 1 56 LEU H . . 4.750 3.262 2.964 3.843 . 0 0 "[ . 1 . 2]" 1
801 1 53 PRO HA 1 56 LEU QB . . 4.150 2.430 1.889 3.400 . 0 0 "[ . 1 . 2]" 1
802 1 53 PRO HA 1 56 LEU QD . . 4.940 2.536 1.758 3.744 . 0 0 "[ . 1 . 2]" 1
803 1 53 PRO HA 1 56 LEU HG . . 4.050 3.316 2.169 4.064 0.014 18 0 "[ . 1 . 2]" 1
804 1 53 PRO QB 1 54 ASP H . . 3.660 3.568 3.359 3.591 . 0 0 "[ . 1 . 2]" 1
805 1 53 PRO HD2 1 54 ASP H . . 4.000 2.825 2.676 2.845 . 0 0 "[ . 1 . 2]" 1
806 1 53 PRO HD3 1 54 ASP H . . 4.000 3.936 3.857 3.947 . 0 0 "[ . 1 . 2]" 1
807 1 54 ASP H 1 54 ASP HB2 . . 3.400 2.254 2.072 2.548 . 0 0 "[ . 1 . 2]" 1
808 1 54 ASP H 1 54 ASP QB . . 2.950 2.165 2.051 2.281 . 0 0 "[ . 1 . 2]" 1
809 1 54 ASP H 1 54 ASP HB3 . . 3.400 2.907 2.573 3.279 . 0 0 "[ . 1 . 2]" 1
810 1 54 ASP H 1 55 GLN H . . 3.490 2.525 2.441 2.670 . 0 0 "[ . 1 . 2]" 1
811 1 54 ASP H 1 56 LEU H . . 4.440 3.935 3.666 4.095 . 0 0 "[ . 1 . 2]" 1
812 1 54 ASP HA 1 55 GLN QG . . 5.310 4.944 4.572 5.288 . 0 0 "[ . 1 . 2]" 1
813 1 54 ASP HA 1 56 LEU QB . . 5.180 4.970 4.416 5.248 0.068 10 0 "[ . 1 . 2]" 1
814 1 54 ASP QB 1 55 GLN H . . 3.940 2.898 2.515 3.049 . 0 0 "[ . 1 . 2]" 1
815 1 54 ASP QB 1 55 GLN QE . . 3.990 3.796 3.173 3.999 0.009 12 0 "[ . 1 . 2]" 1
816 1 54 ASP QB 1 56 LEU H . . 4.810 4.601 4.347 4.698 . 0 0 "[ . 1 . 2]" 1
817 1 54 ASP HB2 1 55 GLN H . . 4.520 3.734 3.174 4.107 . 0 0 "[ . 1 . 2]" 1
818 1 54 ASP HB2 1 56 LEU H . . 5.500 5.420 5.002 5.500 . 14 0 "[ . 1 . 2]" 1
819 1 54 ASP HB3 1 55 GLN H . . 4.520 3.029 2.571 3.206 . 0 0 "[ . 1 . 2]" 1
820 1 54 ASP HB3 1 56 LEU H . . 5.500 4.978 4.643 5.107 . 0 0 "[ . 1 . 2]" 1
821 1 55 GLN H 1 55 GLN QB . . 3.510 2.586 2.243 3.071 . 0 0 "[ . 1 . 2]" 1
822 1 55 GLN H 1 55 GLN QG . . 3.430 2.370 1.957 3.105 . 0 0 "[ . 1 . 2]" 1
823 1 55 GLN H 1 56 LEU H . . 3.220 2.351 2.087 2.611 . 0 0 "[ . 1 . 2]" 1
824 1 55 GLN HA 1 55 GLN QE . . 5.190 4.424 3.503 5.189 . 0 0 "[ . 1 . 2]" 1
825 1 55 GLN HA 1 55 GLN QG . . 3.750 2.862 2.322 3.401 . 0 0 "[ . 1 . 2]" 1
826 1 55 GLN QB 1 56 LEU H . . 4.300 3.313 2.882 3.953 . 0 0 "[ . 1 . 2]" 1
827 1 55 GLN QB 1 56 LEU QD . . 5.280 3.813 2.482 5.287 0.007 16 0 "[ . 1 . 2]" 1
828 1 55 GLN QG 1 56 LEU QD . . 5.440 4.791 3.542 5.463 0.023 10 0 "[ . 1 . 2]" 1
829 1 56 LEU H 1 56 LEU QB . . 3.110 2.274 2.080 2.587 . 0 0 "[ . 1 . 2]" 1
830 1 56 LEU H 1 56 LEU MD1 . . 4.520 3.924 1.924 4.290 . 0 0 "[ . 1 . 2]" 1
831 1 56 LEU H 1 56 LEU QD . . 3.690 3.036 1.918 3.706 0.016 18 0 "[ . 1 . 2]" 1
832 1 56 LEU H 1 56 LEU MD2 . . 4.520 3.351 1.944 4.253 . 0 0 "[ . 1 . 2]" 1
833 1 56 LEU H 1 56 LEU HG . . 4.530 3.650 2.096 4.519 . 0 0 "[ . 1 . 2]" 1
834 1 56 LEU H 1 57 ASP H . . 4.950 4.504 4.400 4.640 . 0 0 "[ . 1 . 2]" 1
835 1 56 LEU HA 1 56 LEU MD1 . . 3.890 2.938 1.955 3.862 . 0 0 "[ . 1 . 2]" 1
836 1 56 LEU HA 1 56 LEU QD . . 3.310 2.102 1.884 3.298 . 0 0 "[ . 1 . 2]" 1
837 1 56 LEU HA 1 56 LEU MD2 . . 3.890 2.530 1.963 4.095 0.205 10 0 "[ . 1 . 2]" 1
838 1 56 LEU HA 1 56 LEU HG . . 3.730 3.307 2.576 3.699 . 0 0 "[ . 1 . 2]" 1
839 1 56 LEU HA 1 57 ASP H . . 3.450 2.209 2.140 2.397 . 0 0 "[ . 1 . 2]" 1
840 1 56 LEU QB 1 57 ASP H . . 4.200 3.164 2.476 3.873 . 0 0 "[ . 1 . 2]" 1
841 1 56 LEU QD 1 57 ASP H . . 3.850 2.857 2.279 3.854 0.004 15 0 "[ . 1 . 2]" 1
842 1 56 LEU QD 1 60 ASP QB . . 4.530 2.297 1.750 3.295 . 0 0 "[ . 1 . 2]" 1
843 1 56 LEU MD1 1 57 ASP H . . 4.820 3.570 2.288 4.820 . 0 0 "[ . 1 . 2]" 1
844 1 56 LEU MD2 1 57 ASP H . . 4.820 3.767 2.671 4.823 0.003 18 0 "[ . 1 . 2]" 1
845 1 57 ASP H 1 57 ASP HB2 . . 4.140 2.744 2.388 3.763 . 0 0 "[ . 1 . 2]" 1
846 1 57 ASP H 1 57 ASP QB . . 3.640 2.521 2.290 3.050 . 0 0 "[ . 1 . 2]" 1
847 1 57 ASP H 1 57 ASP HB3 . . 4.140 3.261 2.746 3.770 . 0 0 "[ . 1 . 2]" 1
848 1 57 ASP H 1 60 ASP QB . . 4.080 2.203 1.865 2.691 . 0 0 "[ . 1 . 2]" 1
849 1 59 GLN H 1 59 GLN QB . . 3.590 2.218 2.149 2.306 . 0 0 "[ . 1 . 2]" 1
850 1 59 GLN H 1 59 GLN HG2 . . 4.650 4.303 3.586 4.604 . 0 0 "[ . 1 . 2]" 1
851 1 59 GLN H 1 59 GLN QG . . 3.920 3.645 2.654 3.946 0.026 14 0 "[ . 1 . 2]" 1
852 1 59 GLN H 1 59 GLN HG3 . . 4.650 3.991 2.721 4.490 . 0 0 "[ . 1 . 2]" 1
853 1 59 GLN H 1 60 ASP H . . 3.460 2.490 2.344 2.740 . 0 0 "[ . 1 . 2]" 1
854 1 59 GLN H 1 62 LEU HB2 . . 5.500 5.391 4.805 5.503 0.003 12 0 "[ . 1 . 2]" 1
855 1 59 GLN HA 1 62 LEU H . . 3.430 3.225 3.013 3.423 . 0 0 "[ . 1 . 2]" 1
856 1 59 GLN HA 1 62 LEU HB2 . . 4.160 2.692 2.044 2.880 . 0 0 "[ . 1 . 2]" 1
857 1 59 GLN QB 1 60 ASP H . . 4.010 2.816 2.599 2.984 . 0 0 "[ . 1 . 2]" 1
858 1 59 GLN QB 1 60 ASP HA . . 4.260 4.003 3.841 4.264 0.004 16 0 "[ . 1 . 2]" 1
859 1 59 GLN QG 1 62 LEU HB2 . . 4.380 3.415 2.446 4.300 . 0 0 "[ . 1 . 2]" 1
860 1 60 ASP H 1 60 ASP HB2 . . 4.090 2.343 2.141 2.618 . 0 0 "[ . 1 . 2]" 1
861 1 60 ASP H 1 60 ASP QB . . 3.560 2.226 2.099 2.357 . 0 0 "[ . 1 . 2]" 1
862 1 60 ASP H 1 60 ASP HB3 . . 4.090 2.945 2.447 3.578 . 0 0 "[ . 1 . 2]" 1
863 1 60 ASP H 1 61 LYS H . . 3.620 2.787 2.677 2.907 . 0 0 "[ . 1 . 2]" 1
864 1 60 ASP QB 1 61 LYS H . . 4.250 2.596 2.356 2.822 . 0 0 "[ . 1 . 2]" 1
865 1 60 ASP QB 1 62 LEU H . . 5.250 4.673 4.452 4.882 . 0 0 "[ . 1 . 2]" 1
866 1 61 LYS H 1 61 LYS HB2 . . 3.790 2.608 2.179 3.597 . 0 0 "[ . 1 . 2]" 1
867 1 61 LYS H 1 61 LYS QB . . 3.150 2.401 2.158 2.606 . 0 0 "[ . 1 . 2]" 1
868 1 61 LYS H 1 61 LYS HB3 . . 3.790 3.401 2.363 3.600 . 0 0 "[ . 1 . 2]" 1
869 1 61 LYS H 1 61 LYS HD2 . . 4.200 3.466 2.168 4.181 . 0 0 "[ . 1 . 2]" 1
870 1 61 LYS H 1 61 LYS QD . . 3.470 3.101 2.054 3.473 0.003 19 0 "[ . 1 . 2]" 1
871 1 61 LYS H 1 61 LYS HD3 . . 4.200 3.663 2.544 4.201 0.001 18 0 "[ . 1 . 2]" 1
872 1 61 LYS H 1 62 LEU H . . 2.870 2.624 2.495 2.760 . 0 0 "[ . 1 . 2]" 1
873 1 61 LYS H 1 62 LEU QD . . 4.310 3.918 3.662 4.310 . 0 0 "[ . 1 . 2]" 1
874 1 61 LYS HA 1 62 LEU QD . . 4.990 4.666 4.355 4.955 . 0 0 "[ . 1 . 2]" 1
875 1 61 LYS HA 1 63 TRP H . . 4.490 4.137 3.796 4.488 . 0 0 "[ . 1 . 2]" 1
876 1 61 LYS QB 1 62 LEU H . . 3.690 2.794 2.510 3.504 . 0 0 "[ . 1 . 2]" 1
877 1 61 LYS QB 1 62 LEU QD . . 4.590 2.901 2.480 3.852 . 0 0 "[ . 1 . 2]" 1
878 1 62 LEU H 1 62 LEU HB2 . . 3.300 2.232 2.140 2.563 . 0 0 "[ . 1 . 2]" 1
879 1 62 LEU H 1 62 LEU HB3 . . 3.890 3.500 3.460 3.587 . 0 0 "[ . 1 . 2]" 1
880 1 62 LEU H 1 62 LEU QD . . 3.610 2.361 1.971 2.856 . 0 0 "[ . 1 . 2]" 1
881 1 62 LEU H 1 62 LEU HG . . 4.090 3.642 2.169 4.088 . 0 0 "[ . 1 . 2]" 1
882 1 62 LEU H 1 63 TRP H . . 3.850 2.524 2.427 2.662 . 0 0 "[ . 1 . 2]" 1
883 1 62 LEU H 1 63 TRP HB2 . . 5.190 4.931 4.682 5.143 . 0 0 "[ . 1 . 2]" 1
884 1 62 LEU H 1 63 TRP QB . . 4.390 4.282 4.190 4.391 0.001 14 0 "[ . 1 . 2]" 1
885 1 62 LEU H 1 63 TRP HB3 . . 5.190 4.705 4.594 4.779 . 0 0 "[ . 1 . 2]" 1
886 1 62 LEU HA 1 62 LEU QD . . 3.530 2.480 1.967 2.921 . 0 0 "[ . 1 . 2]" 1
887 1 62 LEU HA 1 62 LEU HG . . 4.130 2.813 2.230 3.691 . 0 0 "[ . 1 . 2]" 1
888 1 62 LEU HA 1 64 ALA MB . . 5.020 4.818 4.166 5.055 0.035 20 0 "[ . 1 . 2]" 1
889 1 62 LEU HA 1 65 ASP H . . 4.170 3.397 3.095 3.698 . 0 0 "[ . 1 . 2]" 1
890 1 62 LEU HA 1 65 ASP HB2 . . 4.250 3.589 2.882 4.160 . 0 0 "[ . 1 . 2]" 1
891 1 62 LEU HA 1 65 ASP HB3 . . 4.250 2.871 2.032 3.882 . 0 0 "[ . 1 . 2]" 1
892 1 62 LEU HB2 1 63 TRP H . . 4.050 3.001 2.711 3.220 . 0 0 "[ . 1 . 2]" 1
893 1 63 TRP H 1 63 TRP HB2 . . 3.710 2.624 2.515 2.739 . 0 0 "[ . 1 . 2]" 1
894 1 63 TRP H 1 63 TRP HB3 . . 3.710 2.449 2.378 2.546 . 0 0 "[ . 1 . 2]" 1
895 1 63 TRP HA 1 63 TRP HD1 . . 4.980 2.525 2.256 3.213 . 0 0 "[ . 1 . 2]" 1
896 1 63 TRP HA 1 66 GLU H . . 3.990 3.513 3.182 4.000 0.010 20 0 "[ . 1 . 2]" 1
897 1 63 TRP HA 1 67 VAL H . . 5.080 4.803 4.395 5.076 . 0 0 "[ . 1 . 2]" 1
898 1 63 TRP HD1 1 107 LEU MD1 . . 4.460 4.005 2.020 4.460 . 0 0 "[ . 1 . 2]" 1
899 1 63 TRP HD1 1 107 LEU MD2 . . 4.460 2.971 1.965 4.462 0.002 9 0 "[ . 1 . 2]" 1
900 1 63 TRP HE1 1 107 LEU HA . . 4.780 3.835 2.680 4.782 0.002 3 0 "[ . 1 . 2]" 1
901 1 63 TRP HE1 1 107 LEU QB . . 4.130 3.153 2.027 3.983 . 0 0 "[ . 1 . 2]" 1
902 1 63 TRP HE1 1 107 LEU QD . . 4.510 2.854 1.866 4.439 . 0 0 "[ . 1 . 2]" 1
903 1 63 TRP HE1 1 110 LYS QB . . 4.440 3.170 2.493 4.033 . 0 0 "[ . 1 . 2]" 1
904 1 63 TRP HE1 1 110 LYS QD . . 5.180 4.286 2.305 5.185 0.005 12 0 "[ . 1 . 2]" 1
905 1 63 TRP HE1 1 111 VAL QG . . 4.930 3.615 2.261 4.917 . 0 0 "[ . 1 . 2]" 1
906 1 63 TRP HH2 1 111 VAL MG1 . . 5.400 4.134 2.578 5.400 . 0 0 "[ . 1 . 2]" 1
907 1 63 TRP HH2 1 111 VAL QG . . 4.750 3.326 2.066 4.217 . 0 0 "[ . 1 . 2]" 1
908 1 63 TRP HH2 1 111 VAL MG2 . . 5.400 4.051 2.097 5.395 . 0 0 "[ . 1 . 2]" 1
909 1 64 ALA HA 1 67 VAL H . . 4.400 3.619 3.379 3.932 . 0 0 "[ . 1 . 2]" 1
910 1 64 ALA HA 1 67 VAL HB . . 4.070 3.412 2.562 4.059 . 0 0 "[ . 1 . 2]" 1
911 1 64 ALA HA 1 67 VAL QG . . 4.630 2.803 1.974 3.432 . 0 0 "[ . 1 . 2]" 1
912 1 64 ALA MB 1 65 ASP H . . 3.730 2.711 2.301 2.904 . 0 0 "[ . 1 . 2]" 1
913 1 64 ALA MB 1 65 ASP HB2 . . 4.800 4.208 3.823 4.437 . 0 0 "[ . 1 . 2]" 1
914 1 64 ALA MB 1 65 ASP HB3 . . 4.800 4.646 4.280 4.801 0.001 16 0 "[ . 1 . 2]" 1
915 1 65 ASP H 1 65 ASP HB2 . . 4.120 2.691 2.539 2.859 . 0 0 "[ . 1 . 2]" 1
916 1 65 ASP H 1 65 ASP QB . . 3.460 2.240 2.199 2.272 . 0 0 "[ . 1 . 2]" 1
917 1 65 ASP H 1 65 ASP HB3 . . 4.120 2.405 2.286 2.539 . 0 0 "[ . 1 . 2]" 1
918 1 65 ASP H 1 66 GLU H . . 3.720 2.606 2.466 2.873 . 0 0 "[ . 1 . 2]" 1
919 1 65 ASP HA 1 68 ARG H . . 4.600 3.256 3.090 3.577 . 0 0 "[ . 1 . 2]" 1
920 1 65 ASP HA 1 68 ARG QB . . 3.840 2.674 2.237 3.392 . 0 0 "[ . 1 . 2]" 1
921 1 65 ASP QB 1 66 GLU H . . 3.960 2.661 2.362 2.899 . 0 0 "[ . 1 . 2]" 1
922 1 65 ASP QB 1 66 GLU HA . . 4.660 4.221 4.101 4.386 . 0 0 "[ . 1 . 2]" 1
923 1 65 ASP QB 1 67 VAL H . . 5.160 4.709 4.467 4.997 . 0 0 "[ . 1 . 2]" 1
924 1 66 GLU H 1 66 GLU HB2 . . 3.850 2.409 2.143 3.521 . 0 0 "[ . 1 . 2]" 1
925 1 66 GLU H 1 66 GLU QB . . 3.360 2.312 2.124 2.575 . 0 0 "[ . 1 . 2]" 1
926 1 66 GLU H 1 66 GLU HB3 . . 3.850 3.487 2.232 3.601 . 0 0 "[ . 1 . 2]" 1
927 1 66 GLU H 1 66 GLU HG2 . . 3.920 3.264 2.140 3.921 0.001 3 0 "[ . 1 . 2]" 1
928 1 66 GLU H 1 66 GLU QG . . 3.400 2.586 2.082 3.403 0.003 9 0 "[ . 1 . 2]" 1
929 1 66 GLU H 1 66 GLU HG3 . . 3.920 3.007 2.141 3.830 . 0 0 "[ . 1 . 2]" 1
930 1 66 GLU H 1 67 VAL H . . 3.930 2.699 2.525 2.816 . 0 0 "[ . 1 . 2]" 1
931 1 66 GLU H 1 107 LEU QD . . 4.580 4.088 3.590 4.581 0.001 8 0 "[ . 1 . 2]" 1
932 1 66 GLU HA 1 66 GLU QG . . 3.600 2.470 2.126 3.436 . 0 0 "[ . 1 . 2]" 1
933 1 66 GLU HA 1 107 LEU QD . . 5.410 3.741 3.317 4.744 . 0 0 "[ . 1 . 2]" 1
934 1 66 GLU QB 1 67 VAL HA . . 4.900 3.946 3.839 4.631 . 0 0 "[ . 1 . 2]" 1
935 1 66 GLU QB 1 107 LEU QD . . 3.110 1.969 1.665 3.189 0.079 20 0 "[ . 1 . 2]" 1
936 1 67 VAL H 1 67 VAL HB . . 3.560 2.564 2.505 2.620 . 0 0 "[ . 1 . 2]" 1
937 1 67 VAL H 1 67 VAL MG1 . . 4.000 3.775 3.763 3.778 . 0 0 "[ . 1 . 2]" 1
938 1 67 VAL H 1 67 VAL MG2 . . 4.000 2.187 1.980 2.395 . 0 0 "[ . 1 . 2]" 1
939 1 67 VAL H 1 68 ARG H . . 3.970 2.504 2.466 2.657 . 0 0 "[ . 1 . 2]" 1
940 1 67 VAL H 1 107 LEU QD . . 5.110 3.180 2.688 3.466 . 0 0 "[ . 1 . 2]" 1
941 1 67 VAL HA 1 70 LEU H . . 4.730 3.636 3.410 3.751 . 0 0 "[ . 1 . 2]" 1
942 1 67 VAL HA 1 70 LEU HB2 . . 4.310 2.889 2.704 3.231 . 0 0 "[ . 1 . 2]" 1
943 1 67 VAL HA 1 70 LEU HB3 . . 4.470 3.918 3.080 4.416 . 0 0 "[ . 1 . 2]" 1
944 1 67 VAL HA 1 70 LEU QD . . 3.970 3.133 2.052 3.991 0.021 16 0 "[ . 1 . 2]" 1
945 1 67 VAL HA 1 71 SER H . . 5.300 5.053 4.608 5.302 0.002 11 0 "[ . 1 . 2]" 1
946 1 67 VAL HA 1 107 LEU MD1 . . 4.750 3.025 1.887 4.760 0.010 9 0 "[ . 1 . 2]" 1
947 1 67 VAL HA 1 107 LEU QD . . 3.870 2.467 1.868 3.117 . 0 0 "[ . 1 . 2]" 1
948 1 67 VAL HA 1 107 LEU MD2 . . 4.750 3.650 1.953 4.777 0.027 20 0 "[ . 1 . 2]" 1
949 1 67 VAL QG 1 68 ARG H . . 4.460 3.291 3.153 3.347 . 0 0 "[ . 1 . 2]" 1
950 1 67 VAL QG 1 68 ARG HA . . 5.440 3.585 3.392 3.724 . 0 0 "[ . 1 . 2]" 1
951 1 67 VAL QG 1 71 SER QB . . 5.440 4.621 3.970 5.096 . 0 0 "[ . 1 . 2]" 1
952 1 67 VAL QG 1 107 LEU QD . . 4.190 1.998 1.740 2.490 . 0 0 "[ . 1 . 2]" 1
953 1 68 ARG H 1 68 ARG QB . . 3.480 2.289 2.045 2.620 . 0 0 "[ . 1 . 2]" 1
954 1 68 ARG H 1 68 ARG QD . . 4.470 3.957 2.219 4.468 . 0 0 "[ . 1 . 2]" 1
955 1 68 ARG H 1 68 ARG HG2 . . 4.550 3.113 2.015 4.610 0.060 9 0 "[ . 1 . 2]" 1
956 1 68 ARG H 1 68 ARG HG3 . . 4.550 3.537 2.343 4.400 . 0 0 "[ . 1 . 2]" 1
957 1 68 ARG H 1 69 GLU H . . 3.540 2.712 2.622 2.847 . 0 0 "[ . 1 . 2]" 1
958 1 68 ARG HA 1 68 ARG QD . . 4.880 2.789 2.250 3.663 . 0 0 "[ . 1 . 2]" 1
959 1 69 GLU H 1 69 GLU QB . . 3.310 2.418 2.247 2.503 . 0 0 "[ . 1 . 2]" 1
960 1 69 GLU H 1 69 GLU HG2 . . 4.560 2.382 2.084 3.532 . 0 0 "[ . 1 . 2]" 1
961 1 69 GLU H 1 69 GLU QG . . 3.820 2.265 2.063 2.683 . 0 0 "[ . 1 . 2]" 1
962 1 69 GLU H 1 69 GLU HG3 . . 4.560 3.328 2.635 4.026 . 0 0 "[ . 1 . 2]" 1
963 1 69 GLU QB 1 70 LEU H . . 3.840 3.491 3.469 3.504 . 0 0 "[ . 1 . 2]" 1
964 1 69 GLU QB 1 71 SER H . . 5.130 4.915 4.798 5.071 . 0 0 "[ . 1 . 2]" 1
965 1 69 GLU QG 1 70 LEU HA . . 4.080 3.266 3.014 3.621 . 0 0 "[ . 1 . 2]" 1
966 1 69 GLU QG 1 70 LEU HB2 . . 3.900 3.347 3.087 3.799 . 0 0 "[ . 1 . 2]" 1
967 1 69 GLU HG2 1 70 LEU HB2 . . 4.710 4.151 3.184 4.782 0.072 16 0 "[ . 1 . 2]" 1
968 1 69 GLU HG3 1 70 LEU HB2 . . 4.710 3.624 3.146 4.214 . 0 0 "[ . 1 . 2]" 1
969 1 70 LEU H 1 70 LEU HB2 . . 3.620 2.153 2.062 2.246 . 0 0 "[ . 1 . 2]" 1
970 1 70 LEU H 1 70 LEU HB3 . . 3.650 3.136 2.806 3.514 . 0 0 "[ . 1 . 2]" 1
971 1 70 LEU H 1 70 LEU MD1 . . 4.620 3.765 3.385 4.245 . 0 0 "[ . 1 . 2]" 1
972 1 70 LEU H 1 70 LEU QD . . 3.780 3.293 2.537 3.660 . 0 0 "[ . 1 . 2]" 1
973 1 70 LEU H 1 70 LEU MD2 . . 4.620 3.859 2.558 4.333 . 0 0 "[ . 1 . 2]" 1
974 1 70 LEU H 1 71 SER H . . 4.060 2.617 2.450 2.717 . 0 0 "[ . 1 . 2]" 1
975 1 70 LEU H 1 71 SER QB . . 4.550 4.458 4.317 4.612 0.062 9 0 "[ . 1 . 2]" 1
976 1 70 LEU HA 1 70 LEU QD . . 3.390 2.112 1.885 2.964 . 0 0 "[ . 1 . 2]" 1
977 1 70 LEU HA 1 72 TYR H . . 4.810 3.807 3.685 4.111 . 0 0 "[ . 1 . 2]" 1
978 1 70 LEU HA 1 73 VAL HB . . 4.650 3.952 3.424 4.224 . 0 0 "[ . 1 . 2]" 1
979 1 70 LEU HA 1 73 VAL MG1 . . 5.140 4.911 3.851 5.142 0.002 10 0 "[ . 1 . 2]" 1
980 1 70 LEU HA 1 73 VAL QG . . 3.840 2.551 2.253 3.751 . 0 0 "[ . 1 . 2]" 1
981 1 70 LEU HA 1 73 VAL MG2 . . 5.140 2.628 2.257 5.174 0.034 8 0 "[ . 1 . 2]" 1
982 1 70 LEU HA 1 103 ARG QD . . 5.220 4.698 3.399 5.216 . 0 0 "[ . 1 . 2]" 1
983 1 70 LEU HB2 1 70 LEU MD1 . . 3.590 2.480 1.977 3.192 . 0 0 "[ . 1 . 2]" 1
984 1 70 LEU HB2 1 70 LEU QD . . 3.110 2.137 1.956 2.316 . 0 0 "[ . 1 . 2]" 1
985 1 70 LEU HB2 1 70 LEU MD2 . . 3.590 2.621 2.178 3.180 . 0 0 "[ . 1 . 2]" 1
986 1 70 LEU HB2 1 71 SER H . . 4.060 3.449 3.025 3.780 . 0 0 "[ . 1 . 2]" 1
987 1 70 LEU HB2 1 71 SER HA . . 5.500 5.161 4.599 5.505 0.005 12 0 "[ . 1 . 2]" 1
988 1 70 LEU HB2 1 107 LEU QD . . 5.000 3.505 2.742 4.241 . 0 0 "[ . 1 . 2]" 1
989 1 70 LEU HB3 1 70 LEU MD1 . . 3.510 2.743 2.308 3.195 . 0 0 "[ . 1 . 2]" 1
990 1 70 LEU HB3 1 70 LEU QD . . 3.000 2.205 2.035 2.381 . 0 0 "[ . 1 . 2]" 1
991 1 70 LEU HB3 1 70 LEU MD2 . . 3.510 2.501 2.132 3.192 . 0 0 "[ . 1 . 2]" 1
992 1 70 LEU HB3 1 71 SER H . . 4.350 3.146 2.759 3.613 . 0 0 "[ . 1 . 2]" 1
993 1 70 LEU HB3 1 73 VAL QG . . 5.030 4.242 3.706 4.710 . 0 0 "[ . 1 . 2]" 1
994 1 70 LEU QD 1 73 VAL H . . 4.850 3.989 3.290 4.380 . 0 0 "[ . 1 . 2]" 1
995 1 70 LEU QD 1 73 VAL HA . . 5.440 5.221 4.571 5.443 0.003 20 0 "[ . 1 . 2]" 1
996 1 70 LEU QD 1 73 VAL HB . . 4.200 3.169 2.508 3.693 . 0 0 "[ . 1 . 2]" 1
997 1 70 LEU QD 1 73 VAL QG . . 3.790 2.299 1.864 2.566 . 0 0 "[ . 1 . 2]" 1
998 1 70 LEU QD 1 103 ARG H . . 5.080 4.621 4.270 4.997 . 0 0 "[ . 1 . 2]" 1
999 1 70 LEU QD 1 103 ARG HA . . 4.840 4.125 3.309 4.550 . 0 0 "[ . 1 . 2]" 1
1000 1 70 LEU QD 1 103 ARG QB . . 3.410 2.327 1.848 2.908 . 0 0 "[ . 1 . 2]" 1
1001 1 70 LEU QD 1 103 ARG QD . . 3.710 2.871 1.935 3.509 . 0 0 "[ . 1 . 2]" 1
1002 1 70 LEU QD 1 103 ARG QG . . 3.580 3.064 1.967 3.581 0.001 13 0 "[ . 1 . 2]" 1
1003 1 70 LEU QD 1 104 THR H . . 4.240 3.634 3.113 4.123 . 0 0 "[ . 1 . 2]" 1
1004 1 70 LEU QD 1 104 THR HA . . 4.660 2.621 2.014 3.301 . 0 0 "[ . 1 . 2]" 1
1005 1 70 LEU QD 1 104 THR HB . . 4.650 3.720 2.020 4.345 . 0 0 "[ . 1 . 2]" 1
1006 1 70 LEU QD 1 104 THR MG . . 3.060 2.087 1.729 3.040 . 0 0 "[ . 1 . 2]" 1
1007 1 70 LEU QD 1 107 LEU QD . . 2.530 2.252 1.798 2.532 0.002 20 0 "[ . 1 . 2]" 1
1008 1 70 LEU MD1 1 71 SER H . . 5.500 4.667 3.871 5.032 . 0 0 "[ . 1 . 2]" 1
1009 1 70 LEU MD1 1 104 THR H . . 4.970 4.157 3.445 4.827 . 0 0 "[ . 1 . 2]" 1
1010 1 70 LEU MD1 1 104 THR MG . . 4.330 2.550 1.832 3.792 . 0 0 "[ . 1 . 2]" 1
1011 1 70 LEU MD2 1 71 SER H . . 5.500 4.684 3.887 4.857 . 0 0 "[ . 1 . 2]" 1
1012 1 70 LEU MD2 1 104 THR H . . 4.970 4.138 3.204 4.838 . 0 0 "[ . 1 . 2]" 1
1013 1 70 LEU MD2 1 104 THR MG . . 4.330 2.483 1.769 3.448 . 0 0 "[ . 1 . 2]" 1
1014 1 71 SER H 1 71 SER QB . . 3.780 2.239 2.172 2.564 . 0 0 "[ . 1 . 2]" 1
1015 1 71 SER H 1 72 TYR H . . 4.100 2.756 2.721 2.809 . 0 0 "[ . 1 . 2]" 1
1016 1 71 SER HA 1 74 ILE H . . 3.940 3.267 3.066 3.523 . 0 0 "[ . 1 . 2]" 1
1017 1 71 SER HA 1 74 ILE HB . . 4.570 3.257 2.743 3.955 . 0 0 "[ . 1 . 2]" 1
1018 1 71 SER HA 1 74 ILE MD . . 4.180 2.121 1.932 3.298 . 0 0 "[ . 1 . 2]" 1
1019 1 71 SER QB 1 72 TYR H . . 4.340 3.236 2.678 3.532 . 0 0 "[ . 1 . 2]" 1
1020 1 71 SER QB 1 74 ILE MD . . 4.240 3.015 2.559 4.245 0.005 8 0 "[ . 1 . 2]" 1
1021 1 72 TYR H 1 72 TYR QB . . 3.620 2.207 2.060 2.411 . 0 0 "[ . 1 . 2]" 1
1022 1 72 TYR H 1 73 VAL H . . 4.140 2.715 2.620 2.803 . 0 0 "[ . 1 . 2]" 1
1023 1 72 TYR H 1 73 VAL QG . . 4.960 3.971 3.733 4.229 . 0 0 "[ . 1 . 2]" 1
1024 1 72 TYR HA 1 72 TYR QD . . 3.930 2.246 2.010 2.494 . 0 0 "[ . 1 . 2]" 1
1025 1 72 TYR HA 1 72 TYR QE . . 4.310 4.268 4.222 4.312 0.002 13 0 "[ . 1 . 2]" 1
1026 1 72 TYR QB 1 73 VAL H . . 3.690 2.708 2.480 2.881 . 0 0 "[ . 1 . 2]" 1
1027 1 72 TYR HB2 1 73 VAL H . . 4.430 3.149 2.575 3.801 . 0 0 "[ . 1 . 2]" 1
1028 1 72 TYR HB3 1 73 VAL H . . 4.430 3.208 2.522 3.752 . 0 0 "[ . 1 . 2]" 1
1029 1 73 VAL H 1 73 VAL HB . . 4.150 2.620 2.384 2.687 . 0 0 "[ . 1 . 2]" 1
1030 1 73 VAL H 1 73 VAL MG1 . . 4.550 3.701 2.410 3.782 . 0 0 "[ . 1 . 2]" 1
1031 1 73 VAL H 1 73 VAL QG . . 3.610 2.151 1.922 2.382 . 0 0 "[ . 1 . 2]" 1
1032 1 73 VAL H 1 73 VAL MG2 . . 4.550 2.231 1.927 3.731 . 0 0 "[ . 1 . 2]" 1
1033 1 73 VAL H 1 74 ILE H . . 3.920 2.563 2.436 2.735 . 0 0 "[ . 1 . 2]" 1
1034 1 73 VAL H 1 74 ILE MD . . 5.500 5.019 4.774 5.198 . 0 0 "[ . 1 . 2]" 1
1035 1 73 VAL H 1 100 LEU QD . . 5.440 4.670 4.175 5.300 . 0 0 "[ . 1 . 2]" 1
1036 1 73 VAL HA 1 73 VAL MG1 . . 3.480 2.306 2.207 3.180 . 0 0 "[ . 1 . 2]" 1
1037 1 73 VAL HA 1 73 VAL MG2 . . 3.480 2.372 2.084 2.455 . 0 0 "[ . 1 . 2]" 1
1038 1 73 VAL HA 1 76 ASP H . . 4.370 3.665 3.474 3.744 . 0 0 "[ . 1 . 2]" 1
1039 1 73 VAL HA 1 76 ASP QB . . 4.220 3.813 3.539 4.161 . 0 0 "[ . 1 . 2]" 1
1040 1 73 VAL HA 1 100 LEU QD . . 5.440 4.287 4.048 4.624 . 0 0 "[ . 1 . 2]" 1
1041 1 73 VAL HB 1 74 ILE H . . 4.010 2.867 2.625 3.924 . 0 0 "[ . 1 . 2]" 1
1042 1 73 VAL HB 1 100 LEU QD . . 4.410 2.830 2.377 3.621 . 0 0 "[ . 1 . 2]" 1
1043 1 73 VAL QG 1 100 LEU HA . . 4.060 3.618 2.786 4.061 0.001 10 0 "[ . 1 . 2]" 1
1044 1 73 VAL QG 1 100 LEU QD . . 3.070 1.711 1.541 1.937 . 0 0 "[ . 1 . 2]" 1
1045 1 73 VAL MG1 1 100 LEU HA . . 4.760 4.047 3.106 4.761 0.001 8 0 "[ . 1 . 2]" 1
1046 1 73 VAL MG2 1 100 LEU HA . . 4.760 4.161 3.148 4.764 0.004 12 0 "[ . 1 . 2]" 1
1047 1 74 ILE H 1 74 ILE HB . . 3.580 2.591 2.539 2.629 . 0 0 "[ . 1 . 2]" 1
1048 1 74 ILE H 1 74 ILE MD . . 4.280 3.516 3.112 3.597 . 0 0 "[ . 1 . 2]" 1
1049 1 74 ILE H 1 74 ILE MG . . 3.860 3.764 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
1050 1 74 ILE H 1 100 LEU QD . . 5.440 4.713 4.072 5.441 0.001 1 0 "[ . 1 . 2]" 1
1051 1 74 ILE HA 1 74 ILE MD . . 3.850 3.749 2.083 3.874 0.024 16 0 "[ . 1 . 2]" 1
1052 1 74 ILE HA 1 74 ILE MG . . 3.430 2.349 2.298 2.389 . 0 0 "[ . 1 . 2]" 1
1053 1 74 ILE HA 1 77 ALA H . . 4.430 3.461 3.245 3.607 . 0 0 "[ . 1 . 2]" 1
1054 1 74 ILE HA 1 77 ALA MB . . 3.740 3.330 2.866 3.570 . 0 0 "[ . 1 . 2]" 1
1055 1 74 ILE HB 1 74 ILE MD . . 3.590 2.407 2.279 3.230 . 0 0 "[ . 1 . 2]" 1
1056 1 74 ILE HB 1 75 GLU H . . 3.920 2.831 2.612 2.859 . 0 0 "[ . 1 . 2]" 1
1057 1 74 ILE MD 1 74 ILE MG . . 2.830 2.007 1.918 2.181 . 0 0 "[ . 1 . 2]" 1
1058 1 74 ILE MG 1 75 GLU H . . 3.830 3.666 3.538 3.739 . 0 0 "[ . 1 . 2]" 1
1059 1 74 ILE MG 1 75 GLU HA . . 3.780 3.694 3.549 3.780 . 0 0 "[ . 1 . 2]" 1
1060 1 74 ILE MG 1 76 ASP H . . 4.980 4.717 4.685 4.764 . 0 0 "[ . 1 . 2]" 1
1061 1 75 GLU H 1 75 GLU HB2 . . 3.760 2.468 2.179 3.574 . 0 0 "[ . 1 . 2]" 1
1062 1 75 GLU H 1 75 GLU QB . . 3.270 2.329 2.125 2.550 . 0 0 "[ . 1 . 2]" 1
1063 1 75 GLU H 1 75 GLU HB3 . . 3.760 3.212 2.377 3.594 . 0 0 "[ . 1 . 2]" 1
1064 1 75 GLU H 1 75 GLU QG . . 4.410 2.952 1.982 4.035 . 0 0 "[ . 1 . 2]" 1
1065 1 75 GLU H 1 76 ASP H . . 4.090 2.776 2.761 2.789 . 0 0 "[ . 1 . 2]" 1
1066 1 75 GLU QB 1 76 ASP H . . 3.920 2.753 2.687 3.481 . 0 0 "[ . 1 . 2]" 1
1067 1 76 ASP H 1 76 ASP HB2 . . 3.760 2.347 2.169 2.605 . 0 0 "[ . 1 . 2]" 1
1068 1 76 ASP H 1 76 ASP QB . . 3.140 2.272 2.119 2.546 . 0 0 "[ . 1 . 2]" 1
1069 1 76 ASP H 1 76 ASP HB3 . . 3.760 3.175 2.647 3.591 . 0 0 "[ . 1 . 2]" 1
1070 1 76 ASP H 1 77 ALA MB . . 4.660 4.369 4.254 4.459 . 0 0 "[ . 1 . 2]" 1
1071 1 76 ASP QB 1 77 ALA H . . 3.560 2.791 2.583 2.861 . 0 0 "[ . 1 . 2]" 1
1072 1 76 ASP QB 1 77 ALA MB . . 5.290 4.051 3.816 4.126 . 0 0 "[ . 1 . 2]" 1
1073 1 76 ASP HB2 1 77 ALA H . . 4.140 3.371 2.686 3.967 . 0 0 "[ . 1 . 2]" 1
1074 1 76 ASP HB3 1 77 ALA H . . 4.140 3.271 2.708 3.933 . 0 0 "[ . 1 . 2]" 1
1075 1 77 ALA H 1 77 ALA MB . . 3.360 2.224 2.163 2.235 . 0 0 "[ . 1 . 2]" 1
1076 1 77 ALA H 1 78 VAL H . . 3.940 2.872 2.773 2.912 . 0 0 "[ . 1 . 2]" 1
1077 1 77 ALA H 1 78 VAL QG . . 4.240 3.860 3.659 4.191 . 0 0 "[ . 1 . 2]" 1
1078 1 77 ALA MB 1 78 VAL H . . 4.150 2.331 2.278 2.416 . 0 0 "[ . 1 . 2]" 1
1079 1 77 ALA MB 1 78 VAL QG . . 4.020 2.907 2.624 3.562 . 0 0 "[ . 1 . 2]" 1
1080 1 77 ALA MB 1 79 ASP H . . 4.230 4.203 4.157 4.240 0.010 18 0 "[ . 1 . 2]" 1
1081 1 78 VAL H 1 78 VAL HB . . 3.820 3.374 2.532 3.655 . 0 0 "[ . 1 . 2]" 1
1082 1 78 VAL H 1 78 VAL MG1 . . 3.820 2.520 2.043 3.765 . 0 0 "[ . 1 . 2]" 1
1083 1 78 VAL H 1 78 VAL QG . . 3.310 1.937 1.844 2.153 . 0 0 "[ . 1 . 2]" 1
1084 1 78 VAL H 1 78 VAL MG2 . . 3.820 2.258 1.911 3.791 . 0 0 "[ . 1 . 2]" 1
1085 1 78 VAL H 1 79 ASP H . . 3.150 2.411 2.318 2.727 . 0 0 "[ . 1 . 2]" 1
1086 1 78 VAL HA 1 78 VAL MG1 . . 3.700 2.457 2.199 3.202 . 0 0 "[ . 1 . 2]" 1
1087 1 78 VAL HA 1 78 VAL QG . . 3.110 2.240 2.065 2.330 . 0 0 "[ . 1 . 2]" 1
1088 1 78 VAL HA 1 78 VAL MG2 . . 3.700 2.969 2.193 3.203 . 0 0 "[ . 1 . 2]" 1
1089 1 78 VAL HA 1 80 LYS H . . 5.120 3.858 3.643 4.073 . 0 0 "[ . 1 . 2]" 1
1090 1 78 VAL HA 1 81 PHE H . . 4.620 3.561 3.126 3.797 . 0 0 "[ . 1 . 2]" 1
1091 1 78 VAL HA 1 81 PHE HB2 . . 4.620 3.812 3.361 4.545 . 0 0 "[ . 1 . 2]" 1
1092 1 78 VAL HA 1 81 PHE QB . . 3.970 3.476 2.830 3.780 . 0 0 "[ . 1 . 2]" 1
1093 1 78 VAL HA 1 81 PHE HB3 . . 4.620 4.163 2.938 4.597 . 0 0 "[ . 1 . 2]" 1
1094 1 78 VAL HB 1 79 ASP H . . 4.240 3.822 2.862 4.043 . 0 0 "[ . 1 . 2]" 1
1095 1 78 VAL HB 1 80 LYS H . . 5.500 5.344 5.019 5.554 0.054 2 0 "[ . 1 . 2]" 1
1096 1 78 VAL QG 1 79 ASP H . . 3.590 2.375 2.176 3.345 . 0 0 "[ . 1 . 2]" 1
1097 1 78 VAL QG 1 79 ASP HA . . 3.880 3.148 2.911 3.494 . 0 0 "[ . 1 . 2]" 1
1098 1 78 VAL QG 1 79 ASP QB . . 4.110 3.330 3.021 4.151 0.041 14 0 "[ . 1 . 2]" 1
1099 1 78 VAL QG 1 80 LYS H . . 5.440 4.164 3.936 4.479 . 0 0 "[ . 1 . 2]" 1
1100 1 78 VAL MG1 1 79 ASP H . . 4.230 3.715 2.241 4.069 . 0 0 "[ . 1 . 2]" 1
1101 1 78 VAL MG2 1 79 ASP H . . 4.230 2.681 2.187 3.941 . 0 0 "[ . 1 . 2]" 1
1102 1 79 ASP H 1 79 ASP HB2 . . 4.180 2.406 2.183 2.820 . 0 0 "[ . 1 . 2]" 1
1103 1 79 ASP H 1 79 ASP QB . . 3.620 2.222 2.128 2.422 . 0 0 "[ . 1 . 2]" 1
1104 1 79 ASP H 1 79 ASP HB3 . . 4.180 2.730 2.288 3.588 . 0 0 "[ . 1 . 2]" 1
1105 1 79 ASP H 1 80 LYS H . . 4.050 2.672 2.507 2.801 . 0 0 "[ . 1 . 2]" 1
1106 1 79 ASP HA 1 80 LYS HA . . 4.970 4.844 4.745 4.870 . 0 0 "[ . 1 . 2]" 1
1107 1 79 ASP HA 1 82 LEU QB . . 4.860 3.319 2.294 4.880 0.020 10 0 "[ . 1 . 2]" 1
1108 1 79 ASP HA 1 82 LEU QD . . 4.410 2.276 1.928 2.841 . 0 0 "[ . 1 . 2]" 1
1109 1 79 ASP QB 1 82 LEU QD . . 4.210 3.541 2.984 4.107 . 0 0 "[ . 1 . 2]" 1
1110 1 79 ASP HB2 1 80 LYS H . . 4.380 3.870 2.946 4.201 . 0 0 "[ . 1 . 2]" 1
1111 1 79 ASP HB3 1 80 LYS H . . 4.380 2.928 2.623 3.871 . 0 0 "[ . 1 . 2]" 1
1112 1 80 LYS H 1 80 LYS HB2 . . 3.630 2.412 2.087 2.654 . 0 0 "[ . 1 . 2]" 1
1113 1 80 LYS H 1 80 LYS HB3 . . 3.630 3.513 3.046 3.591 . 0 0 "[ . 1 . 2]" 1
1114 1 80 LYS H 1 80 LYS HD2 . . 4.320 3.869 3.237 4.306 . 0 0 "[ . 1 . 2]" 1
1115 1 80 LYS H 1 80 LYS QD . . 3.530 3.358 2.584 3.536 0.006 9 0 "[ . 1 . 2]" 1
1116 1 80 LYS H 1 80 LYS HD3 . . 4.320 3.901 2.605 4.323 0.003 9 0 "[ . 1 . 2]" 1
1117 1 80 LYS H 1 80 LYS QG . . 4.360 2.505 1.941 3.997 . 0 0 "[ . 1 . 2]" 1
1118 1 80 LYS H 1 81 PHE HB2 . . 5.390 4.954 4.736 5.391 0.001 6 0 "[ . 1 . 2]" 1
1119 1 80 LYS H 1 81 PHE QB . . 4.580 4.464 4.283 4.583 0.003 6 0 "[ . 1 . 2]" 1
1120 1 80 LYS H 1 81 PHE HB3 . . 5.390 5.109 4.624 5.355 . 0 0 "[ . 1 . 2]" 1
1121 1 80 LYS H 1 83 VAL QG . . 5.440 4.670 3.505 5.474 0.034 19 0 "[ . 1 . 2]" 1
1122 1 80 LYS HA 1 80 LYS QD . . 4.020 2.469 1.986 4.014 . 0 0 "[ . 1 . 2]" 1
1123 1 80 LYS HA 1 80 LYS QE . . 4.740 3.794 2.171 4.737 . 0 0 "[ . 1 . 2]" 1
1124 1 80 LYS HA 1 83 VAL HB . . 4.860 2.833 1.984 3.186 . 0 0 "[ . 1 . 2]" 1
1125 1 80 LYS HA 1 83 VAL QG . . 4.070 2.880 1.902 3.703 . 0 0 "[ . 1 . 2]" 1
1126 1 80 LYS QB 1 80 LYS QE . . 4.390 2.807 1.977 3.755 . 0 0 "[ . 1 . 2]" 1
1127 1 80 LYS QB 1 81 PHE H . . 4.070 2.773 2.422 2.978 . 0 0 "[ . 1 . 2]" 1
1128 1 80 LYS QB 1 81 PHE HA . . 4.610 3.913 3.827 3.970 . 0 0 "[ . 1 . 2]" 1
1129 1 80 LYS QB 1 83 VAL HB . . 4.720 4.307 3.545 4.729 0.009 4 0 "[ . 1 . 2]" 1
1130 1 80 LYS QD 1 81 PHE H . . 5.190 4.865 4.581 5.032 . 0 0 "[ . 1 . 2]" 1
1131 1 81 PHE H 1 81 PHE HB2 . . 3.330 2.476 2.224 2.746 . 0 0 "[ . 1 . 2]" 1
1132 1 81 PHE H 1 81 PHE HB3 . . 3.330 2.629 2.375 2.886 . 0 0 "[ . 1 . 2]" 1
1133 1 81 PHE H 1 81 PHE QD . . 4.470 4.150 3.927 4.198 . 0 0 "[ . 1 . 2]" 1
1134 1 81 PHE H 1 82 LEU H . . 4.110 2.567 2.470 2.923 . 0 0 "[ . 1 . 2]" 1
1135 1 81 PHE H 1 82 LEU QB . . 5.270 4.770 4.598 5.249 . 0 0 "[ . 1 . 2]" 1
1136 1 81 PHE H 1 82 LEU HG . . 4.370 3.964 3.723 4.317 . 0 0 "[ . 1 . 2]" 1
1137 1 81 PHE HA 1 81 PHE QD . . 4.270 2.853 2.158 3.114 . 0 0 "[ . 1 . 2]" 1
1138 1 81 PHE QB 1 82 LEU H . . 4.170 2.648 2.202 2.823 . 0 0 "[ . 1 . 2]" 1
1139 1 81 PHE HB2 1 82 LEU H . . 5.020 3.837 3.601 4.093 . 0 0 "[ . 1 . 2]" 1
1140 1 81 PHE HB3 1 82 LEU H . . 5.020 2.704 2.222 2.877 . 0 0 "[ . 1 . 2]" 1
1141 1 81 PHE QD 1 82 LEU HG . . 4.710 4.336 3.263 4.710 0.000 13 0 "[ . 1 . 2]" 1
1142 1 82 LEU H 1 82 LEU QB . . 3.670 2.545 2.466 2.630 . 0 0 "[ . 1 . 2]" 1
1143 1 82 LEU H 1 82 LEU QD . . 4.330 2.978 2.835 3.097 . 0 0 "[ . 1 . 2]" 1
1144 1 82 LEU H 1 82 LEU HG . . 3.830 2.106 1.935 2.360 . 0 0 "[ . 1 . 2]" 1
1145 1 82 LEU H 1 83 VAL H . . 4.140 2.510 2.444 2.563 . 0 0 "[ . 1 . 2]" 1
1146 1 82 LEU HA 1 82 LEU QD . . 4.050 2.490 1.973 3.402 . 0 0 "[ . 1 . 2]" 1
1147 1 82 LEU HA 1 82 LEU HG . . 4.260 3.256 2.993 3.684 . 0 0 "[ . 1 . 2]" 1
1148 1 82 LEU HA 1 84 ARG H . . 4.500 3.694 3.417 4.472 . 0 0 "[ . 1 . 2]" 1
1149 1 82 LEU HA 1 85 VAL MG1 . . 4.330 3.477 3.100 3.846 . 0 0 "[ . 1 . 2]" 1
1150 1 82 LEU HA 1 85 VAL QG . . 3.720 2.096 1.882 2.632 . 0 0 "[ . 1 . 2]" 1
1151 1 82 LEU HA 1 85 VAL MG2 . . 4.330 2.116 1.893 2.683 . 0 0 "[ . 1 . 2]" 1
1152 1 82 LEU HB2 1 83 VAL H . . 4.640 3.345 2.759 4.289 . 0 0 "[ . 1 . 2]" 1
1153 1 82 LEU HB3 1 83 VAL H . . 4.640 4.156 3.888 4.304 . 0 0 "[ . 1 . 2]" 1
1154 1 82 LEU HG 1 83 VAL H . . 4.400 4.016 2.821 4.414 0.014 6 0 "[ . 1 . 2]" 1
1155 1 83 VAL H 1 83 VAL HB . . 3.820 2.431 2.252 2.599 . 0 0 "[ . 1 . 2]" 1
1156 1 83 VAL H 1 83 VAL MG1 . . 3.800 3.033 2.342 3.770 . 0 0 "[ . 1 . 2]" 1
1157 1 83 VAL H 1 83 VAL MG2 . . 3.800 3.055 1.972 3.730 . 0 0 "[ . 1 . 2]" 1
1158 1 83 VAL H 1 84 ARG H . . 3.620 2.688 2.420 2.779 . 0 0 "[ . 1 . 2]" 1
1159 1 83 VAL HB 1 84 ARG H . . 4.420 3.456 2.645 3.946 . 0 0 "[ . 1 . 2]" 1
1160 1 83 VAL QG 1 84 ARG H . . 4.130 2.689 1.996 3.426 . 0 0 "[ . 1 . 2]" 1
1161 1 83 VAL QG 1 84 ARG HA . . 4.490 3.257 2.943 3.654 . 0 0 "[ . 1 . 2]" 1
1162 1 83 VAL QG 1 84 ARG QD . . 5.050 3.960 3.129 5.087 0.037 17 0 "[ . 1 . 2]" 1
1163 1 84 ARG H 1 84 ARG QB . . 3.590 2.225 2.054 2.490 . 0 0 "[ . 1 . 2]" 1
1164 1 84 ARG H 1 84 ARG QD . . 5.090 4.045 2.218 4.685 . 0 0 "[ . 1 . 2]" 1
1165 1 84 ARG H 1 84 ARG HG2 . . 4.220 3.191 2.156 4.397 0.177 17 0 "[ . 1 . 2]" 1
1166 1 84 ARG H 1 84 ARG QG . . 3.700 2.861 2.133 3.915 0.215 17 0 "[ . 1 . 2]" 1
1167 1 84 ARG H 1 84 ARG HG3 . . 4.220 3.654 2.693 4.391 0.171 17 0 "[ . 1 . 2]" 1
1168 1 84 ARG H 1 85 VAL H . . 4.210 2.720 2.478 2.975 . 0 0 "[ . 1 . 2]" 1
1169 1 84 ARG H 1 86 HIS QB . . 4.930 4.486 4.294 4.709 . 0 0 "[ . 1 . 2]" 1
1170 1 84 ARG HA 1 84 ARG QD . . 4.800 2.752 1.992 3.968 . 0 0 "[ . 1 . 2]" 1
1171 1 84 ARG QB 1 85 VAL H . . 3.500 2.334 2.152 2.561 . 0 0 "[ . 1 . 2]" 1
1172 1 84 ARG QB 1 85 VAL HA . . 3.920 3.787 3.678 4.225 0.305 17 0 "[ . 1 . 2]" 1
1173 1 84 ARG QB 1 85 VAL MG1 . . 4.030 3.110 2.980 3.233 . 0 0 "[ . 1 . 2]" 1
1174 1 84 ARG QB 1 85 VAL QG . . 3.440 2.976 2.874 3.094 . 0 0 "[ . 1 . 2]" 1
1175 1 84 ARG QB 1 85 VAL MG2 . . 4.030 3.804 3.649 4.033 0.003 10 0 "[ . 1 . 2]" 1
1176 1 85 VAL H 1 85 VAL HB . . 4.060 3.614 3.609 3.633 . 0 0 "[ . 1 . 2]" 1
1177 1 85 VAL H 1 85 VAL MG1 . . 3.650 2.253 2.095 2.554 . 0 0 "[ . 1 . 2]" 1
1178 1 85 VAL H 1 85 VAL MG2 . . 3.650 2.083 1.933 2.229 . 0 0 "[ . 1 . 2]" 1
1179 1 85 VAL HA 1 85 VAL MG1 . . 3.650 2.299 2.207 2.389 . 0 0 "[ . 1 . 2]" 1
1180 1 85 VAL HA 1 85 VAL QG . . 3.150 2.250 2.170 2.326 . 0 0 "[ . 1 . 2]" 1
1181 1 85 VAL HA 1 85 VAL MG2 . . 3.650 3.201 3.198 3.203 . 0 0 "[ . 1 . 2]" 1
1182 1 86 HIS HA 1 86 HIS HD2 . . 4.280 2.327 2.116 3.721 . 0 0 "[ . 1 . 2]" 1
1183 1 88 VAL H 1 88 VAL HB . . 3.770 2.868 2.522 3.703 . 0 0 "[ . 1 . 2]" 1
1184 1 88 VAL H 1 88 VAL QG . . 3.270 2.087 1.863 2.471 . 0 0 "[ . 1 . 2]" 1
1185 1 88 VAL H 1 89 GLU H . . 4.670 4.566 4.501 4.637 . 0 0 "[ . 1 . 2]" 1
1186 1 88 VAL HA 1 89 GLU H . . 3.230 2.259 2.177 2.452 . 0 0 "[ . 1 . 2]" 1
1187 1 88 VAL HB 1 89 GLU H . . 4.200 3.656 2.269 4.098 . 0 0 "[ . 1 . 2]" 1
1188 1 88 VAL QG 1 89 GLU H . . 3.470 2.363 1.933 3.471 0.001 5 0 "[ . 1 . 2]" 1
1189 1 88 VAL QG 1 89 GLU QG . . 4.850 3.270 2.403 4.665 . 0 0 "[ . 1 . 2]" 1
1190 1 88 VAL MG1 1 89 GLU H . . 3.950 2.865 1.965 3.950 0.000 6 0 "[ . 1 . 2]" 1
1191 1 88 VAL MG2 1 89 GLU H . . 3.950 3.423 1.940 3.951 0.001 5 0 "[ . 1 . 2]" 1
1192 1 89 GLU H 1 89 GLU QB . . 3.470 2.737 2.162 3.157 . 0 0 "[ . 1 . 2]" 1
1193 1 89 GLU H 1 89 GLU QG . . 3.860 2.158 1.927 3.581 . 0 0 "[ . 1 . 2]" 1
1194 1 89 GLU HA 1 90 PRO HD2 . . 3.610 2.443 2.397 2.523 . 0 0 "[ . 1 . 2]" 1
1195 1 89 GLU HA 1 90 PRO QD . . 3.080 2.114 2.087 2.163 . 0 0 "[ . 1 . 2]" 1
1196 1 89 GLU HA 1 90 PRO HD3 . . 3.610 2.316 2.296 2.353 . 0 0 "[ . 1 . 2]" 1
1197 1 89 GLU HA 1 90 PRO QG . . 4.430 4.029 3.999 4.081 . 0 0 "[ . 1 . 2]" 1
1198 1 89 GLU QB 1 90 PRO QD . . 3.150 1.938 1.934 1.965 . 0 0 "[ . 1 . 2]" 1
1199 1 89 GLU HB2 1 90 PRO HD2 . . 4.550 2.265 1.964 3.569 . 0 0 "[ . 1 . 2]" 1
1200 1 89 GLU HB2 1 90 PRO HD3 . . 4.550 3.652 3.384 4.663 0.113 8 0 "[ . 1 . 2]" 1
1201 1 89 GLU HB3 1 90 PRO HD2 . . 4.550 2.832 1.962 3.490 . 0 0 "[ . 1 . 2]" 1
1202 1 89 GLU HB3 1 90 PRO HD3 . . 4.550 3.924 3.385 4.448 . 0 0 "[ . 1 . 2]" 1
1203 1 90 PRO HA 1 91 ASP H . . 3.220 2.275 2.150 2.635 . 0 0 "[ . 1 . 2]" 1
1204 1 90 PRO HA 1 91 ASP QB . . 4.430 4.062 3.861 4.351 . 0 0 "[ . 1 . 2]" 1
1205 1 90 PRO QB 1 91 ASP H . . 3.440 2.901 2.052 3.406 . 0 0 "[ . 1 . 2]" 1
1206 1 91 ASP H 1 91 ASP HB2 . . 3.960 3.024 2.511 3.959 . 0 0 "[ . 1 . 2]" 1
1207 1 91 ASP H 1 91 ASP QB . . 3.290 2.786 2.467 3.161 . 0 0 "[ . 1 . 2]" 1
1208 1 91 ASP H 1 91 ASP HB3 . . 3.960 3.440 2.990 3.924 . 0 0 "[ . 1 . 2]" 1
1209 1 91 ASP HA 1 92 ASP H . . 3.360 2.262 2.138 2.496 . 0 0 "[ . 1 . 2]" 1
1210 1 92 ASP H 1 92 ASP HB2 . . 3.830 2.883 2.213 3.710 . 0 0 "[ . 1 . 2]" 1
1211 1 92 ASP H 1 92 ASP QB . . 3.230 2.535 2.190 2.896 . 0 0 "[ . 1 . 2]" 1
1212 1 92 ASP H 1 92 ASP HB3 . . 3.830 3.199 2.497 3.732 . 0 0 "[ . 1 . 2]" 1
1213 1 92 ASP H 1 93 ASN H . . 4.740 2.234 2.014 2.749 . 0 0 "[ . 1 . 2]" 1
1214 1 92 ASP QB 1 93 ASN H . . 3.950 2.854 1.990 3.591 . 0 0 "[ . 1 . 2]" 1
1215 1 93 ASN H 1 93 ASN HB2 . . 4.150 2.500 2.182 3.549 . 0 0 "[ . 1 . 2]" 1
1216 1 93 ASN H 1 93 ASN QB . . 3.570 2.317 2.161 2.561 . 0 0 "[ . 1 . 2]" 1
1217 1 93 ASN H 1 93 ASN HB3 . . 4.150 3.124 2.288 3.603 . 0 0 "[ . 1 . 2]" 1
1218 1 93 ASN H 1 93 ASN QD . . 4.960 3.895 1.885 4.548 . 0 0 "[ . 1 . 2]" 1
1219 1 93 ASN H 1 94 THR H . . 5.450 2.648 2.421 2.788 . 0 0 "[ . 1 . 2]" 1
1220 1 93 ASN HA 1 93 ASN HD21 . . 4.760 3.446 2.005 4.478 . 0 0 "[ . 1 . 2]" 1
1221 1 93 ASN HA 1 93 ASN QD . . 4.180 3.253 1.995 4.082 . 0 0 "[ . 1 . 2]" 1
1222 1 93 ASN HA 1 93 ASN HD22 . . 4.760 4.151 3.585 4.886 0.126 2 0 "[ . 1 . 2]" 1
1223 1 93 ASN HB2 1 93 ASN HD22 . . 4.080 3.734 3.435 4.091 0.011 2 0 "[ . 1 . 2]" 1
1224 1 93 ASN HB3 1 93 ASN HD22 . . 4.080 3.729 3.435 4.088 0.008 18 0 "[ . 1 . 2]" 1
1225 1 94 THR H 1 94 THR MG . . 4.640 3.208 2.124 3.776 . 0 0 "[ . 1 . 2]" 1
1226 1 96 GLY H 1 97 PHE H . . 3.450 2.774 2.644 2.845 . 0 0 "[ . 1 . 2]" 1
1227 1 97 PHE H 1 97 PHE QD . . 5.180 4.114 3.914 4.191 . 0 0 "[ . 1 . 2]" 1
1228 1 97 PHE HA 1 100 LEU MD1 . . 5.070 4.282 2.740 5.070 . 3 0 "[ . 1 . 2]" 1
1229 1 97 PHE HA 1 100 LEU QD . . 3.960 3.046 1.933 3.857 . 0 0 "[ . 1 . 2]" 1
1230 1 97 PHE HA 1 100 LEU MD2 . . 5.070 3.509 1.938 4.861 . 0 0 "[ . 1 . 2]" 1
1231 1 97 PHE QD 1 100 LEU QD . . 3.810 2.568 1.936 3.595 . 0 0 "[ . 1 . 2]" 1
1232 1 97 PHE QD 1 101 MET QB . . 5.500 3.313 2.321 3.857 . 0 0 "[ . 1 . 2]" 1
1233 1 97 PHE QD 1 101 MET ME . . 5.500 5.286 4.726 5.505 0.005 12 0 "[ . 1 . 2]" 1
1234 1 97 PHE QE 1 100 LEU QD . . 4.160 2.992 2.469 4.158 . 0 0 "[ . 1 . 2]" 1
1235 1 97 PHE HZ 1 100 LEU QD . . 5.150 4.730 3.767 5.152 0.002 17 0 "[ . 1 . 2]" 1
1236 1 100 LEU H 1 100 LEU MD1 . . 4.320 4.150 3.658 4.238 . 0 0 "[ . 1 . 2]" 1
1237 1 100 LEU H 1 100 LEU QD . . 3.790 3.601 2.380 3.756 . 0 0 "[ . 1 . 2]" 1
1238 1 100 LEU H 1 100 LEU MD2 . . 4.320 3.996 2.411 4.254 . 0 0 "[ . 1 . 2]" 1
1239 1 100 LEU H 1 101 MET H . . 4.020 2.715 2.557 2.815 . 0 0 "[ . 1 . 2]" 1
1240 1 100 LEU H 1 103 ARG QB . . 4.610 4.510 4.251 4.629 0.019 5 0 "[ . 1 . 2]" 1
1241 1 100 LEU HA 1 100 LEU QD . . 3.480 2.252 1.908 3.213 . 0 0 "[ . 1 . 2]" 1
1242 1 100 LEU HA 1 103 ARG QB . . 3.830 2.284 1.990 2.606 . 0 0 "[ . 1 . 2]" 1
1243 1 100 LEU QB 1 103 ARG QB . . 4.480 4.070 3.084 4.486 0.006 10 0 "[ . 1 . 2]" 1
1244 1 100 LEU QD 1 101 MET H . . 4.650 3.612 2.848 4.029 . 0 0 "[ . 1 . 2]" 1
1245 1 100 LEU QD 1 103 ARG QD . . 3.700 3.294 2.183 3.758 0.058 5 0 "[ . 1 . 2]" 1
1246 1 100 LEU MD1 1 101 MET H . . 5.500 4.044 2.900 4.538 . 0 0 "[ . 1 . 2]" 1
1247 1 100 LEU MD1 1 101 MET QB . . 5.500 4.851 3.271 5.501 0.001 14 0 "[ . 1 . 2]" 1
1248 1 100 LEU MD2 1 101 MET H . . 5.500 4.229 3.663 4.600 . 0 0 "[ . 1 . 2]" 1
1249 1 100 LEU MD2 1 101 MET QB . . 5.500 4.967 4.481 5.586 0.086 1 0 "[ . 1 . 2]" 1
1250 1 101 MET H 1 101 MET HG2 . . 4.690 4.591 4.405 4.609 . 0 0 "[ . 1 . 2]" 1
1251 1 101 MET H 1 101 MET QG . . 4.080 4.017 3.982 4.042 . 0 0 "[ . 1 . 2]" 1
1252 1 101 MET H 1 101 MET HG3 . . 4.690 4.437 4.399 4.541 . 0 0 "[ . 1 . 2]" 1
1253 1 101 MET H 1 102 LYS H . . 4.410 2.743 2.569 2.858 . 0 0 "[ . 1 . 2]" 1
1254 1 101 MET H 1 103 ARG QB . . 4.870 4.658 4.312 4.868 . 0 0 "[ . 1 . 2]" 1
1255 1 101 MET QB 1 101 MET ME . . 3.470 3.238 2.645 3.471 0.001 5 0 "[ . 1 . 2]" 1
1256 1 101 MET QB 1 102 LYS HA . . 5.500 4.188 4.118 4.288 . 0 0 "[ . 1 . 2]" 1
1257 1 101 MET QB 1 102 LYS QB . . 4.700 4.134 3.647 4.543 . 0 0 "[ . 1 . 2]" 1
1258 1 101 MET QB 1 104 THR H . . 5.470 5.150 4.889 5.462 . 0 0 "[ . 1 . 2]" 1
1259 1 101 MET ME 1 103 ARG H . . 5.330 5.182 4.485 5.325 . 0 0 "[ . 1 . 2]" 1
1260 1 101 MET ME 1 104 THR H . . 4.730 4.152 3.885 4.739 0.009 12 0 "[ . 1 . 2]" 1
1261 1 101 MET ME 1 105 THR H . . 4.780 3.221 2.700 3.961 . 0 0 "[ . 1 . 2]" 1
1262 1 101 MET ME 1 105 THR HB . . 4.120 3.485 1.978 4.122 0.002 17 0 "[ . 1 . 2]" 1
1263 1 101 MET ME 1 105 THR MG . . 5.230 3.588 1.791 4.107 . 0 0 "[ . 1 . 2]" 1
1264 1 101 MET QG 1 102 LYS HA . . 3.860 3.625 3.391 3.862 0.002 12 0 "[ . 1 . 2]" 1
1265 1 101 MET QG 1 102 LYS QE . . 4.680 4.173 2.392 4.693 0.013 12 0 "[ . 1 . 2]" 1
1266 1 102 LYS H 1 102 LYS QB . . 3.370 2.234 2.100 2.594 . 0 0 "[ . 1 . 2]" 1
1267 1 102 LYS H 1 102 LYS QD . . 3.920 3.125 2.109 3.920 0.000 13 0 "[ . 1 . 2]" 1
1268 1 102 LYS HA 1 102 LYS HD2 . . 4.170 2.965 2.191 3.966 . 0 0 "[ . 1 . 2]" 1
1269 1 102 LYS HA 1 102 LYS QD . . 3.580 2.463 1.998 3.097 . 0 0 "[ . 1 . 2]" 1
1270 1 102 LYS HA 1 102 LYS HD3 . . 4.170 3.081 2.037 4.138 . 0 0 "[ . 1 . 2]" 1
1271 1 102 LYS HA 1 102 LYS QG . . 3.470 2.516 2.172 3.081 . 0 0 "[ . 1 . 2]" 1
1272 1 102 LYS HA 1 104 THR H . . 4.300 4.134 3.677 4.304 0.004 20 0 "[ . 1 . 2]" 1
1273 1 102 LYS QB 1 102 LYS QD . . 3.340 2.308 2.080 2.775 . 0 0 "[ . 1 . 2]" 1
1274 1 102 LYS QD 1 102 LYS QG . . 2.370 2.065 2.007 2.092 . 0 0 "[ . 1 . 2]" 1
1275 1 102 LYS QE 1 102 LYS QG . . 3.450 2.242 2.039 2.797 . 0 0 "[ . 1 . 2]" 1
1276 1 103 ARG H 1 103 ARG QB . . 3.050 2.130 2.041 2.257 . 0 0 "[ . 1 . 2]" 1
1277 1 103 ARG H 1 103 ARG HD2 . . 5.500 4.276 3.559 4.916 . 0 0 "[ . 1 . 2]" 1
1278 1 103 ARG H 1 103 ARG QD . . 4.710 4.014 3.457 4.378 . 0 0 "[ . 1 . 2]" 1
1279 1 103 ARG H 1 103 ARG HD3 . . 5.500 4.987 3.972 5.463 . 0 0 "[ . 1 . 2]" 1
1280 1 103 ARG H 1 103 ARG QG . . 4.110 3.335 2.867 3.987 . 0 0 "[ . 1 . 2]" 1
1281 1 103 ARG H 1 104 THR H . . 4.060 2.593 2.467 2.851 . 0 0 "[ . 1 . 2]" 1
1282 1 103 ARG HA 1 103 ARG HD2 . . 5.500 4.314 2.927 4.649 . 0 0 "[ . 1 . 2]" 1
1283 1 103 ARG HA 1 103 ARG QD . . 4.760 3.901 2.879 4.036 . 0 0 "[ . 1 . 2]" 1
1284 1 103 ARG HA 1 103 ARG HD3 . . 5.500 4.500 4.194 4.673 . 0 0 "[ . 1 . 2]" 1
1285 1 103 ARG HA 1 103 ARG QG . . 3.620 2.244 2.062 2.576 . 0 0 "[ . 1 . 2]" 1
1286 1 103 ARG QB 1 103 ARG QD . . 3.500 2.109 2.021 2.187 . 0 0 "[ . 1 . 2]" 1
1287 1 103 ARG QB 1 104 THR H . . 3.800 2.791 2.521 2.969 . 0 0 "[ . 1 . 2]" 1
1288 1 104 THR H 1 104 THR HB . . 4.210 3.574 2.818 3.649 . 0 0 "[ . 1 . 2]" 1
1289 1 104 THR H 1 104 THR MG . . 4.380 2.500 2.069 3.082 . 0 0 "[ . 1 . 2]" 1
1290 1 104 THR H 1 105 THR H . . 4.280 2.536 2.340 2.637 . 0 0 "[ . 1 . 2]" 1
1291 1 104 THR HA 1 107 LEU QB . . 5.090 3.277 2.780 4.058 . 0 0 "[ . 1 . 2]" 1
1292 1 104 THR HA 1 107 LEU QD . . 4.140 3.232 2.553 3.893 . 0 0 "[ . 1 . 2]" 1
1293 1 104 THR HB 1 107 LEU H . . 5.370 5.195 4.979 5.388 0.018 5 0 "[ . 1 . 2]" 1
1294 1 105 THR H 1 105 THR HB . . 3.720 2.635 2.516 3.612 . 0 0 "[ . 1 . 2]" 1
1295 1 105 THR H 1 105 THR MG . . 4.280 2.828 1.918 3.768 . 0 0 "[ . 1 . 2]" 1
1296 1 105 THR H 1 106 LYS H . . 3.980 2.766 2.627 2.826 . 0 0 "[ . 1 . 2]" 1
1297 1 105 THR H 1 106 LYS QB . . 5.050 4.467 4.371 4.525 . 0 0 "[ . 1 . 2]" 1
1298 1 105 THR HA 1 105 THR MG . . 3.520 2.764 2.251 3.207 . 0 0 "[ . 1 . 2]" 1
1299 1 105 THR HA 1 108 LEU H . . 4.340 3.217 3.045 3.393 . 0 0 "[ . 1 . 2]" 1
1300 1 105 THR HA 1 108 LEU HB2 . . 4.560 2.314 1.994 2.696 . 0 0 "[ . 1 . 2]" 1
1301 1 105 THR HA 1 108 LEU QB . . 3.910 2.295 1.983 2.670 . 0 0 "[ . 1 . 2]" 1
1302 1 105 THR HA 1 108 LEU HB3 . . 4.560 3.839 3.371 4.317 . 0 0 "[ . 1 . 2]" 1
1303 1 105 THR HA 1 108 LEU QD . . 4.680 2.550 1.972 3.391 . 0 0 "[ . 1 . 2]" 1
1304 1 105 THR HA 1 108 LEU HG . . 4.900 3.904 2.517 4.910 0.010 17 0 "[ . 1 . 2]" 1
1305 1 105 THR HB 1 106 LYS H . . 4.680 3.411 2.548 4.033 . 0 0 "[ . 1 . 2]" 1
1306 1 105 THR HB 1 108 LEU QB . . 5.120 4.611 3.688 5.125 0.005 19 0 "[ . 1 . 2]" 1
1307 1 105 THR MG 1 106 LYS H . . 4.110 2.886 2.044 4.022 . 0 0 "[ . 1 . 2]" 1
1308 1 105 THR MG 1 108 LEU H . . 4.950 4.639 3.992 4.965 0.015 9 0 "[ . 1 . 2]" 1
1309 1 106 LYS H 1 106 LYS HB2 . . 3.440 2.226 2.078 2.596 . 0 0 "[ . 1 . 2]" 1
1310 1 106 LYS H 1 106 LYS QB . . 3.000 2.141 2.051 2.245 . 0 0 "[ . 1 . 2]" 1
1311 1 106 LYS H 1 106 LYS HB3 . . 3.440 3.052 2.453 3.446 0.006 8 0 "[ . 1 . 2]" 1
1312 1 106 LYS H 1 106 LYS HD2 . . 5.500 4.916 3.100 5.499 . 0 0 "[ . 1 . 2]" 1
1313 1 106 LYS H 1 106 LYS HD3 . . 5.500 4.535 3.045 5.446 . 0 0 "[ . 1 . 2]" 1
1314 1 106 LYS HA 1 106 LYS QD . . 3.740 2.556 1.979 3.727 . 0 0 "[ . 1 . 2]" 1
1315 1 106 LYS HA 1 106 LYS QE . . 5.040 4.001 2.471 4.857 . 0 0 "[ . 1 . 2]" 1
1316 1 106 LYS HA 1 108 LEU H . . 4.840 4.487 4.147 4.831 . 0 0 "[ . 1 . 2]" 1
1317 1 106 LYS HA 1 109 LYS QG . . 4.100 3.213 1.982 4.125 0.025 13 0 "[ . 1 . 2]" 1
1318 1 106 LYS QB 1 106 LYS QD . . 3.300 2.251 2.081 2.476 . 0 0 "[ . 1 . 2]" 1
1319 1 106 LYS QB 1 106 LYS QE . . 4.220 3.374 2.210 3.774 . 0 0 "[ . 1 . 2]" 1
1320 1 106 LYS QD 1 106 LYS QE . . 2.350 2.044 2.004 2.091 . 0 0 "[ . 1 . 2]" 1
1321 1 106 LYS QD 1 106 LYS QG . . 2.360 2.072 2.013 2.092 . 0 0 "[ . 1 . 2]" 1
1322 1 106 LYS QE 1 106 LYS QG . . 2.700 2.194 2.047 2.422 . 0 0 "[ . 1 . 2]" 1
1323 1 107 LEU H 1 107 LEU HB2 . . 3.750 2.278 2.071 2.766 . 0 0 "[ . 1 . 2]" 1
1324 1 107 LEU H 1 107 LEU QB . . 3.230 2.248 2.047 2.680 . 0 0 "[ . 1 . 2]" 1
1325 1 107 LEU H 1 107 LEU HB3 . . 3.750 3.501 3.207 3.605 . 0 0 "[ . 1 . 2]" 1
1326 1 107 LEU H 1 107 LEU MD1 . . 4.060 3.388 2.166 3.934 . 0 0 "[ . 1 . 2]" 1
1327 1 107 LEU H 1 107 LEU MD2 . . 4.060 3.669 2.239 4.063 0.003 8 0 "[ . 1 . 2]" 1
1328 1 107 LEU H 1 108 LEU H . . 3.940 2.482 2.423 2.575 . 0 0 "[ . 1 . 2]" 1
1329 1 107 LEU HA 1 107 LEU MD1 . . 3.930 3.380 1.965 3.937 0.007 20 0 "[ . 1 . 2]" 1
1330 1 107 LEU HA 1 107 LEU MD2 . . 3.930 2.556 1.981 3.810 . 0 0 "[ . 1 . 2]" 1
1331 1 107 LEU HA 1 110 LYS H . . 4.500 3.595 3.177 4.011 . 0 0 "[ . 1 . 2]" 1
1332 1 107 LEU HA 1 110 LYS QB . . 5.000 3.459 2.433 4.132 . 0 0 "[ . 1 . 2]" 1
1333 1 107 LEU HA 1 110 LYS QD . . 3.860 2.929 2.057 3.868 0.008 6 0 "[ . 1 . 2]" 1
1334 1 107 LEU QB 1 107 LEU QD . . 2.750 1.924 1.881 2.028 . 0 0 "[ . 1 . 2]" 1
1335 1 107 LEU HB2 1 107 LEU MD1 . . 3.620 2.353 2.177 3.178 . 0 0 "[ . 1 . 2]" 1
1336 1 107 LEU HB2 1 107 LEU MD2 . . 3.620 2.921 2.224 3.192 . 0 0 "[ . 1 . 2]" 1
1337 1 107 LEU HB3 1 107 LEU MD1 . . 3.620 2.581 2.225 3.195 . 0 0 "[ . 1 . 2]" 1
1338 1 107 LEU HB3 1 107 LEU MD2 . . 3.620 2.360 2.201 3.195 . 0 0 "[ . 1 . 2]" 1
1339 1 107 LEU QD 1 110 LYS H . . 5.440 4.755 4.281 5.237 . 0 0 "[ . 1 . 2]" 1
1340 1 107 LEU QD 1 110 LYS QD . . 4.180 3.354 2.127 4.200 0.020 9 0 "[ . 1 . 2]" 1
1341 1 108 LEU H 1 108 LEU HB2 . . 4.060 2.271 2.100 2.600 . 0 0 "[ . 1 . 2]" 1
1342 1 108 LEU H 1 108 LEU QB . . 3.380 2.243 2.082 2.543 . 0 0 "[ . 1 . 2]" 1
1343 1 108 LEU H 1 108 LEU HB3 . . 4.060 3.515 3.421 3.600 . 0 0 "[ . 1 . 2]" 1
1344 1 108 LEU H 1 108 LEU MD1 . . 4.110 3.084 2.042 3.989 . 0 0 "[ . 1 . 2]" 1
1345 1 108 LEU H 1 108 LEU MD2 . . 4.110 3.412 2.017 4.110 . 0 0 "[ . 1 . 2]" 1
1346 1 108 LEU H 1 108 LEU HG . . 4.270 3.341 2.148 4.218 . 0 0 "[ . 1 . 2]" 1
1347 1 108 LEU H 1 109 LYS H . . 3.950 2.625 2.472 2.743 . 0 0 "[ . 1 . 2]" 1
1348 1 108 LEU HA 1 108 LEU QD . . 3.460 2.285 1.885 2.739 . 0 0 "[ . 1 . 2]" 1
1349 1 108 LEU QB 1 108 LEU QD . . 2.810 1.929 1.777 2.044 . 0 0 "[ . 1 . 2]" 1
1350 1 109 LYS H 1 109 LYS QB . . 3.130 2.299 2.152 2.556 . 0 0 "[ . 1 . 2]" 1
1351 1 109 LYS H 1 109 LYS QD . . 4.250 3.901 2.364 4.279 0.029 16 0 "[ . 1 . 2]" 1
1352 1 109 LYS H 1 109 LYS HG2 . . 4.150 3.028 2.138 4.150 0.000 3 0 "[ . 1 . 2]" 1
1353 1 109 LYS H 1 109 LYS QG . . 3.520 2.602 2.118 3.523 0.003 3 0 "[ . 1 . 2]" 1
1354 1 109 LYS H 1 109 LYS HG3 . . 4.150 3.279 2.287 3.946 . 0 0 "[ . 1 . 2]" 1
1355 1 109 LYS H 1 110 LYS H . . 3.760 2.579 2.382 2.694 . 0 0 "[ . 1 . 2]" 1
1356 1 109 LYS HA 1 112 VAL HB . . 4.550 3.630 2.120 4.532 . 0 0 "[ . 1 . 2]" 1
1357 1 109 LYS HA 1 112 VAL MG1 . . 4.320 2.368 1.869 4.202 . 0 0 "[ . 1 . 2]" 1
1358 1 109 LYS HA 1 112 VAL QG . . 3.590 1.899 1.855 1.962 . 0 0 "[ . 1 . 2]" 1
1359 1 109 LYS HA 1 112 VAL MG2 . . 4.320 3.387 1.876 4.379 0.059 5 0 "[ . 1 . 2]" 1
1360 1 109 LYS QB 1 109 LYS QE . . 4.000 2.918 2.095 3.772 . 0 0 "[ . 1 . 2]" 1
1361 1 109 LYS QB 1 112 VAL QG . . 4.780 3.359 3.174 3.703 . 0 0 "[ . 1 . 2]" 1
1362 1 109 LYS QD 1 109 LYS QG . . 2.440 2.046 2.007 2.092 . 0 0 "[ . 1 . 2]" 1
1363 1 109 LYS QE 1 109 LYS QG . . 3.380 2.151 1.990 2.433 . 0 0 "[ . 1 . 2]" 1
1364 1 110 LYS H 1 110 LYS HB2 . . 3.610 2.343 2.108 2.749 . 0 0 "[ . 1 . 2]" 1
1365 1 110 LYS H 1 110 LYS QB . . 3.070 2.307 2.076 2.669 . 0 0 "[ . 1 . 2]" 1
1366 1 110 LYS H 1 110 LYS HB3 . . 3.610 3.501 3.109 3.632 0.022 6 0 "[ . 1 . 2]" 1
1367 1 110 LYS H 1 110 LYS HD2 . . 4.220 3.156 1.979 4.224 0.004 12 0 "[ . 1 . 2]" 1
1368 1 110 LYS H 1 110 LYS QD . . 3.480 2.902 1.965 3.479 . 0 0 "[ . 1 . 2]" 1
1369 1 110 LYS H 1 110 LYS HD3 . . 4.220 3.654 2.479 4.222 0.002 20 0 "[ . 1 . 2]" 1
1370 1 110 LYS H 1 110 LYS QE . . 5.180 4.512 2.785 5.180 0.000 5 0 "[ . 1 . 2]" 1
1371 1 110 LYS H 1 110 LYS QG . . 3.980 3.040 1.952 3.979 . 0 0 "[ . 1 . 2]" 1
1372 1 110 LYS H 1 111 VAL H . . 2.680 2.428 2.307 2.691 0.011 8 0 "[ . 1 . 2]" 1
1373 1 110 LYS H 1 111 VAL QG . . 4.590 3.565 3.282 3.841 . 0 0 "[ . 1 . 2]" 1
1374 1 110 LYS HA 1 110 LYS QD . . 4.630 2.990 1.994 4.136 . 0 0 "[ . 1 . 2]" 1
1375 1 110 LYS HA 1 110 LYS QG . . 3.660 2.459 2.042 3.192 . 0 0 "[ . 1 . 2]" 1
1376 1 110 LYS HA 1 113 ASP H . . 4.150 3.879 3.741 4.154 0.004 8 0 "[ . 1 . 2]" 1
1377 1 110 LYS QB 1 110 LYS QE . . 4.000 3.111 2.044 3.755 . 0 0 "[ . 1 . 2]" 1
1378 1 110 LYS HB2 1 111 VAL H . . 4.100 2.925 2.373 3.483 . 0 0 "[ . 1 . 2]" 1
1379 1 110 LYS HB3 1 111 VAL H . . 4.100 3.576 3.051 4.070 . 0 0 "[ . 1 . 2]" 1
1380 1 110 LYS QD 1 110 LYS QE . . 2.360 2.043 1.993 2.090 . 0 0 "[ . 1 . 2]" 1
1381 1 110 LYS QE 1 110 LYS QG . . 2.970 2.226 2.089 2.811 . 0 0 "[ . 1 . 2]" 1
1382 1 111 VAL H 1 111 VAL HB . . 3.900 2.888 2.498 3.646 . 0 0 "[ . 1 . 2]" 1
1383 1 111 VAL H 1 111 VAL MG1 . . 3.940 3.277 1.896 3.795 . 0 0 "[ . 1 . 2]" 1
1384 1 111 VAL H 1 111 VAL QG . . 3.440 2.056 1.787 2.394 . 0 0 "[ . 1 . 2]" 1
1385 1 111 VAL H 1 111 VAL MG2 . . 3.940 2.267 1.849 3.791 . 0 0 "[ . 1 . 2]" 1
1386 1 111 VAL H 1 112 VAL H . . 3.860 2.423 2.305 2.692 . 0 0 "[ . 1 . 2]" 1
1387 1 111 VAL H 1 113 ASP H . . 4.650 3.984 3.631 4.608 . 0 0 "[ . 1 . 2]" 1
1388 1 111 VAL H 1 117 ILE MG . . 5.500 5.532 5.478 5.623 0.123 13 0 "[ . 1 . 2]" 1
1389 1 111 VAL HA 1 114 LYS H . . 4.700 3.594 3.275 3.892 . 0 0 "[ . 1 . 2]" 1
1390 1 111 VAL HA 1 114 LYS QB . . 4.760 3.359 2.191 4.344 . 0 0 "[ . 1 . 2]" 1
1391 1 111 VAL HA 1 114 LYS QD . . 4.760 3.642 2.323 4.712 . 0 0 "[ . 1 . 2]" 1
1392 1 111 VAL HB 1 112 VAL H . . 3.970 3.104 2.480 3.967 . 0 0 "[ . 1 . 2]" 1
1393 1 111 VAL HB 1 117 ILE MG . . 4.770 3.696 3.244 4.778 0.008 4 0 "[ . 1 . 2]" 1
1394 1 111 VAL QG 1 112 VAL H . . 4.180 2.891 1.953 3.416 . 0 0 "[ . 1 . 2]" 1
1395 1 111 VAL QG 1 112 VAL QG . . 4.770 3.487 1.996 4.102 . 0 0 "[ . 1 . 2]" 1
1396 1 111 VAL QG 1 114 LYS H . . 5.410 4.275 3.696 4.916 . 0 0 "[ . 1 . 2]" 1
1397 1 111 VAL QG 1 115 HIS HD2 . . 3.960 2.930 2.017 3.923 . 0 0 "[ . 1 . 2]" 1
1398 1 111 VAL MG1 1 112 VAL H . . 4.970 3.638 2.084 4.134 . 0 0 "[ . 1 . 2]" 1
1399 1 111 VAL MG1 1 115 HIS HD2 . . 5.150 3.198 2.025 5.120 . 0 0 "[ . 1 . 2]" 1
1400 1 111 VAL MG1 1 117 ILE H . . 5.500 3.538 2.725 5.173 . 0 0 "[ . 1 . 2]" 1
1401 1 111 VAL MG2 1 112 VAL H . . 4.970 3.307 1.957 3.941 . 0 0 "[ . 1 . 2]" 1
1402 1 111 VAL MG2 1 115 HIS HD2 . . 5.150 4.658 2.523 5.157 0.007 19 0 "[ . 1 . 2]" 1
1403 1 111 VAL MG2 1 117 ILE H . . 5.500 4.568 2.714 5.463 . 0 0 "[ . 1 . 2]" 1
1404 1 112 VAL H 1 112 VAL HB . . 3.900 2.725 2.428 3.611 . 0 0 "[ . 1 . 2]" 1
1405 1 112 VAL H 1 112 VAL MG1 . . 3.770 2.474 1.971 3.764 . 0 0 "[ . 1 . 2]" 1
1406 1 112 VAL H 1 112 VAL MG2 . . 3.770 3.137 1.989 3.764 . 0 0 "[ . 1 . 2]" 1
1407 1 112 VAL H 1 113 ASP H . . 4.610 2.672 2.583 2.821 . 0 0 "[ . 1 . 2]" 1
1408 1 112 VAL H 1 114 LYS H . . 5.270 4.406 3.853 4.985 . 0 0 "[ . 1 . 2]" 1
1409 1 112 VAL H 1 117 ILE HB . . 4.030 3.872 3.457 4.059 0.029 15 0 "[ . 1 . 2]" 1
1410 1 112 VAL HA 1 112 VAL MG1 . . 3.320 2.871 2.371 3.202 . 0 0 "[ . 1 . 2]" 1
1411 1 112 VAL HA 1 112 VAL QG . . 2.840 2.224 2.126 2.332 . 0 0 "[ . 1 . 2]" 1
1412 1 112 VAL HA 1 112 VAL MG2 . . 3.320 2.480 2.189 3.196 . 0 0 "[ . 1 . 2]" 1
1413 1 112 VAL HA 1 114 LYS H . . 5.180 4.233 3.603 4.981 . 0 0 "[ . 1 . 2]" 1
1414 1 112 VAL HA 1 115 HIS H . . 5.300 4.076 3.531 4.773 . 0 0 "[ . 1 . 2]" 1
1415 1 112 VAL HA 1 116 GLY H . . 5.060 2.501 2.198 2.912 . 0 0 "[ . 1 . 2]" 1
1416 1 112 VAL HA 1 117 ILE H . . 3.860 2.223 1.947 2.447 . 0 0 "[ . 1 . 2]" 1
1417 1 112 VAL HA 1 117 ILE HB . . 3.800 3.447 3.141 3.723 . 0 0 "[ . 1 . 2]" 1
1418 1 112 VAL HA 1 117 ILE QG . . 4.490 3.968 3.526 4.489 . 0 0 "[ . 1 . 2]" 1
1419 1 112 VAL HB 1 113 ASP H . . 4.280 3.787 2.508 4.215 . 0 0 "[ . 1 . 2]" 1
1420 1 112 VAL HB 1 116 GLY QA . . 5.320 3.945 2.315 4.698 . 0 0 "[ . 1 . 2]" 1
1421 1 112 VAL QG 1 113 ASP H . . 3.470 2.518 1.916 3.184 . 0 0 "[ . 1 . 2]" 1
1422 1 112 VAL QG 1 113 ASP HA . . 4.320 3.186 3.026 3.360 . 0 0 "[ . 1 . 2]" 1
1423 1 112 VAL QG 1 113 ASP QB . . 3.910 3.281 2.859 3.916 0.006 8 0 "[ . 1 . 2]" 1
1424 1 112 VAL QG 1 117 ILE HB . . 4.590 3.684 2.305 4.519 . 0 0 "[ . 1 . 2]" 1
1425 1 113 ASP H 1 113 ASP HB2 . . 3.320 2.451 2.114 2.716 . 0 0 "[ . 1 . 2]" 1
1426 1 113 ASP H 1 113 ASP HB3 . . 3.320 2.677 2.404 3.172 . 0 0 "[ . 1 . 2]" 1
1427 1 113 ASP H 1 114 LYS H . . 3.770 2.634 2.507 2.766 . 0 0 "[ . 1 . 2]" 1
1428 1 113 ASP HA 1 114 LYS HA . . 4.850 4.609 4.585 4.627 . 0 0 "[ . 1 . 2]" 1
1429 1 113 ASP QB 1 114 LYS H . . 3.930 2.722 2.048 3.238 . 0 0 "[ . 1 . 2]" 1
1430 1 113 ASP HB2 1 114 LYS H . . 4.580 3.835 3.015 4.304 . 0 0 "[ . 1 . 2]" 1
1431 1 113 ASP HB3 1 114 LYS H . . 4.580 2.813 2.063 3.526 . 0 0 "[ . 1 . 2]" 1
1432 1 114 LYS H 1 114 LYS QB . . 3.540 2.280 2.168 2.651 . 0 0 "[ . 1 . 2]" 1
1433 1 114 LYS H 1 114 LYS QD . . 3.490 2.768 2.021 3.471 . 0 0 "[ . 1 . 2]" 1
1434 1 114 LYS H 1 114 LYS HG2 . . 4.690 4.285 2.183 4.663 . 0 0 "[ . 1 . 2]" 1
1435 1 114 LYS H 1 114 LYS QG . . 3.980 3.502 2.169 3.972 . 0 0 "[ . 1 . 2]" 1
1436 1 114 LYS H 1 114 LYS HG3 . . 4.690 3.796 3.158 4.429 . 0 0 "[ . 1 . 2]" 1
1437 1 114 LYS H 1 115 HIS H . . 4.180 2.416 2.364 2.453 . 0 0 "[ . 1 . 2]" 1
1438 1 114 LYS HA 1 114 LYS QD . . 3.850 3.226 2.247 3.783 . 0 0 "[ . 1 . 2]" 1
1439 1 114 LYS HA 1 114 LYS QG . . 3.470 2.259 2.031 3.179 . 0 0 "[ . 1 . 2]" 1
1440 1 114 LYS QB 1 114 LYS QE . . 3.660 3.286 2.047 3.661 0.001 7 0 "[ . 1 . 2]" 1
1441 1 114 LYS QB 1 115 HIS H . . 4.250 2.384 2.183 2.429 . 0 0 "[ . 1 . 2]" 1
1442 1 114 LYS QD 1 115 HIS H . . 4.540 4.182 3.676 4.572 0.032 6 0 "[ . 1 . 2]" 1
1443 1 115 HIS H 1 115 HIS HD2 . . 4.940 3.613 2.126 4.993 0.053 15 0 "[ . 1 . 2]" 1
1444 1 115 HIS H 1 116 GLY H . . 3.210 2.151 1.813 2.575 . 0 0 "[ . 1 . 2]" 1
1445 1 115 HIS QB 1 117 ILE H . . 4.820 2.828 2.176 3.407 . 0 0 "[ . 1 . 2]" 1
1446 1 115 HIS QB 1 117 ILE HB . . 5.180 4.147 3.023 5.192 0.012 3 0 "[ . 1 . 2]" 1
1447 1 115 HIS QB 1 117 ILE MD . . 4.090 3.063 2.525 3.609 . 0 0 "[ . 1 . 2]" 1
1448 1 115 HIS QB 1 117 ILE QG . . 4.660 2.387 1.922 2.991 . 0 0 "[ . 1 . 2]" 1
1449 1 116 GLY H 1 117 ILE H . . 4.490 2.348 2.003 2.674 . 0 0 "[ . 1 . 2]" 1
1450 1 116 GLY QA 1 117 ILE HA . . 5.340 4.188 4.125 4.231 . 0 0 "[ . 1 . 2]" 1
1451 1 117 ILE H 1 117 ILE HB . . 3.400 2.531 2.417 2.609 . 0 0 "[ . 1 . 2]" 1
1452 1 117 ILE H 1 117 ILE MD . . 4.020 3.231 2.984 3.562 . 0 0 "[ . 1 . 2]" 1
1453 1 117 ILE H 1 117 ILE HG12 . . 3.970 2.130 1.995 2.336 . 0 0 "[ . 1 . 2]" 1
1454 1 117 ILE H 1 117 ILE HG13 . . 3.970 3.593 3.525 3.685 . 0 0 "[ . 1 . 2]" 1
1455 1 117 ILE H 1 117 ILE MG . . 3.780 3.760 3.742 3.767 . 0 0 "[ . 1 . 2]" 1
1456 1 117 ILE HA 1 117 ILE MD . . 3.550 2.013 1.965 2.096 . 0 0 "[ . 1 . 2]" 1
1457 1 117 ILE HA 1 117 ILE MG . . 3.650 2.383 2.334 2.453 . 0 0 "[ . 1 . 2]" 1
1458 1 117 ILE HA 1 118 ALA H . . 2.970 2.152 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
1459 1 117 ILE HB 1 117 ILE MD . . 3.280 3.224 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
1460 1 117 ILE HB 1 118 ALA H . . 4.610 4.348 4.062 4.441 . 0 0 "[ . 1 . 2]" 1
1461 1 117 ILE MD 1 118 ALA H . . 4.190 3.590 3.076 3.741 . 0 0 "[ . 1 . 2]" 1
1462 1 117 ILE QG 1 117 ILE MG . . 3.330 2.265 2.234 2.307 . 0 0 "[ . 1 . 2]" 1
1463 1 117 ILE MG 1 118 ALA H . . 3.710 2.773 2.256 3.079 . 0 0 "[ . 1 . 2]" 1
1464 1 117 ILE MG 1 118 ALA MB . . 4.700 3.944 2.668 4.260 . 0 0 "[ . 1 . 2]" 1
1465 1 118 ALA H 1 118 ALA MB . . 3.460 2.315 2.053 2.836 . 0 0 "[ . 1 . 2]" 1
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